A0A077Z405_TRITR Loading...

alpha-D-xyloside xylohydrolase

AlphaFold DB , UniProt , Accession A0A077Z405, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,238 aa.

						>A0A077Z405_TRITR|A0A077Z405
MVYKMRYRSQHPYSIKEKQMKSEVLSVKEKIGYGMGDAASHIIFDNVMLYMMFFYTDIFGIPAGFVGTMFLVARALDAISDPCMGLLADRTRSRWGKFRPWVLFGALPFGIVCVLAYSTPDLSMNGKMIYAAITYTLLTLLYTVVNIPYCALGGVITNDPTQRISLQSWRFVLATAGGMLSTVLMMPLVNLIGGDNKPLGFQGGIAVLSVVAFMMLAFCFFTTKERVEAPPTTTSMREDLRDIWQNDQWRIVGLLTIFNILAVCVRGGAMMYYVTWILGTPEVFVAFLTTYCVGNLIGSALAKPLTDWKCKVTIFWWTNALLAVISLAMFFVPMQASITMFVFIFVIGVLHQLVTPIQWVMMSDTVDYGEWCNGKRLTGISFAGTLFVLKLGLAFGGALIGWMLAYGGYDAAEKAQNSATISIIIALFTIVPAICYLLSAIIAKRYYSLTTHNLKTVMEQLAQGTAMKISDGNWLIQPGLNLIHPLQVFEVEQQDNEMVVYAAPRDVRERTWQLDTPLFTLRFFSPQEGIVGVRIEHFQGALNNGPHYPLNILQDVKVTIENTERYAEFKSGNLSARVSKGEFWSLDFLRNGERITGSQVKNNGYVQDTNNQRNYMFERLDLGVGETVYGLGERFTALVRNGQTVETWNRDGGTSTEQAYKNIPFYMTNRGYGVLVNHPQCVSFEVGSEKVSKVQFSVESEYLEYFVIDGPTPKAVLDRYTRFTGRPALPPAWSFGLWLTTSFTTNYDEATVNSFIDGMAERNLPLHVFHFDCFWMKAFQWCDFEWDPLTFPDPEGMIRRLKAKGLKICVWINPYIGQKSPVFKELQEKGYLLKRPDGSLWQWDKWQPGLAIYDFTNPDACKWYADKLKGLVAMGVDCFKTDFGERIPTDVQWFDGSDPQKMHNHYAYIYNELVWNVLKDTVGEEEAVLFARSASVGAQKFPVHWGGDCYANYESMAESLRGGLSIGLSGFGFWSHDIGGFENTAPANVYKRWCAFGLLSSHSRLHGSKSYRVPWAYDDESCDVVRFFTQLKCRMMPYLYREAARANARGTPMMRAMMMEFPDDPACDYLDRQYMLGDNVMVAPVFTEAGDVQFYLPEGRWTHLWHNDELDGSRWHKQQHGFLSLPVYVRDNTLLALGNNDQRPDYVWHEGTAFHLFNLQDGHEAVCEVPAADGSVIFTLKAVRTGNTITVTGAGEAKNWTLCLRNVVKVNGLQDGSQAESEQGLVVKPQGNALTITL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.6	Very low	26.2	Very low	237 Å²	237	174.3 Å²	174.3	100%	1.167	79%	0.793	S	S	*	*				0	112.5	0	-119	169.2	171.2	0	0	107.4
2	V	27	Very low	26.9	Very low	113 Å²	113	167.6 Å²	167.6	69%	0.685	78%	0.778	S	S	*	*			trans	22.3	122.7	156.3	-125.7	0	0	0	0	117.3
3	Y	28	Very low	26.7	Very low	224 Å²	224	172.3 Å²	172.3	88%	0.878	79%	0.787	S	S	*	*				-164.1	151.8	57.9	-115.5	-83.3	0	0	0	113.1
4	K	26	Very low	26.5	Very low	176 Å²	176	167.1 Å²	167.1	77%	0.765	78%	0.781	S	S	*	*			trans	-115.8	157.1	-176.7	-147	-179.7	-168.9	-179.8	0	108
5	M	28.2	Very low	26.6	Very low	143 Å²	143	165.5 Å²	165.5	70%	0.704	78%	0.777	S	S	*	*			trans	101.9	139.2	146.1	-70.9	-171.4	179.5	0	0	123.2
6	R	24.7	Very low	26.4	Very low	188 Å²	188	166.3 Å²	166.3	71%	0.709	78%	0.777	S	S	*	*			trans	91.4	134.1	136	-92.7	167	-170.6	-145.9	14.7	117.3
7	Y	27.7	Very low	26.3	Very low	170 Å²	170	166.8 Å²	166.8	67%	0.667	78%	0.779	S	S	*	*			cis	-153.6	144.3	21.6	-94.4	-94.4	0	0	0	109.4
8	R	22.2	Very low	26.3	Very low	214 Å²	214	163.5 Å²	163.5	81%	0.808	76%	0.762	S	S	*	*				78.6	106.2	68.8	-116.2	-175.1	-165.1	-169.4	4.1	117.1
9	S	25.1	Very low	26.4	Very low	100 Å²	100	163.3 Å²	163.3	70%	0.699	76%	0.761	S	S	*	*			trans	44.4	131.8	140.2	67.9	0	0	0	0	121.4
10	Q	23.5	Very low	26.8	Very low	174 Å²	174	164.3 Å²	164.3	81%	0.813	77%	0.768	S	S	*	*				179.4	122.4	75	-90.3	-172.7	-12.6	0	0	109.6
11	H	25.5	Very low	27.1	Very low	178 Å²	178	162.8 Å²	162.8	82%	0.824	76%	0.759	S	S	*	*				102.1	159	102.8	-107	8.3	0	0	0	116.6
12	P	34.7	Very low	28	Very low	94 Å²	94	154.8 Å²	154.8	61%	0.61	73%	0.727	S	S	*	*				-124.2	171.1	-107.1	37.2	-19.8	0	0	0	114.3
13	Y	23.7	Very low	29.8	Very low	229 Å²	229	153.7 Å²	153.7	90%	0.898	71%	0.714	S	S	*	*			trans	-178.7	119.3	144.5	-96	-69.4	0	0	0	111.6
14	S	24.2	Very low	32.2	Very low	100 Å²	100	147.9 Å²	147.9	70%	0.699	70%	0.702	S	S	*	*			trans	17.4	134.1	144.5	-176.2	0	0	0	0	120.1
15	I	27.5	Very low	35	Very low	143 Å²	143	139.8 Å²	139.8	73%	0.733	67%	0.667	S	S	*	*				168.9	118.3	119.4	-80.7	153.9	0	0	0	112.4
16	K	23.4	Very low	38	Very low	177 Å²	177	135.9 Å²	135.9	77%	0.77	65%	0.653	S	S	*	*			trans	42.3	126.5	136.4	-55.8	-178.5	173.8	-174.8	0	122.4
17	E	25.5	Very low	41.1	Very low	175 Å²	175	131 Å²	131	82%	0.818	64%	0.644	S	S	*	*			trans	24.6	103.6	140.7	-71.4	178.2	151.6	0	0	116.8
18	K	26.1	Very low	44.2	Very low	108 Å²	108	129.5 Å²	129.5	47%	0.47	64%	0.641	S	S	.	*			trans	-146.4	109.5	151.6	-102.2	174.8	-173.2	172.6	0	109.5	K21 E23	K18-K21 HydrophobicContact CG-CB 4.31Å; K18-K21 HydrophobicContact CG-CD 4.38Å; K18-E23 IonicContact NZ-OE1 3.78Å; K18-E23 PolarHBondContact NZ-OE1 2.82Å
19	Q	28.1	Very low	47.5	Very low	159 Å²	159	119.9 Å²	119.9	74%	0.743	61%	0.606	S	S	*	*	S	Bend	trans	-30.1	163.5	138.7	-71.2	168.7	-34.4	0	0	111	K21	Q19-K21 HydrophobicContact CB-CG 4.46Å; Q19-K21 PolarHBondContact O-N 2.92Å
20	M	35.1	Very low	50.8	Low	183 Å²	183	116.1 Å²	116.1	90%	0.901	58%	0.576	S	S	*	*	S	Bend	trans	-58.4	60.3	160.8	-75.2	-173.4	-67.1	0	0	111.8	S22	M20-S22 PolarHBondContact O-N 2.84Å
21	K	32.1	Very low	54.1	Low	133 Å²	133	110.2 Å²	110.2	58%	0.578	55%	0.55	S	S	*	.			trans	-74.6	106.6	160.9	-80.3	-175.1	175.9	175.1	0	103.8	K18 Q19 E23	K18-K21 HydrophobicContact CG-CB 4.31Å; K18-K21 HydrophobicContact CG-CD 4.38Å; Q19-K21 HydrophobicContact CB-CG 4.46Å; Q19-K21 PolarHBondContact O-N 2.92Å; K21-E23 PolarHBondContact O-N 3.33Å
22	S	50.3	Low	57.4	Low	70 Å²	70	101.7 Å²	101.7	49%	0.49	51%	0.511	S	S	.	.			trans	-33.2	103.4	157.5	53.6	0	0	0	0	108.8	M20 V24 D159	M20-S22 PolarHBondContact O-N 2.84Å; S22-V24 PolarHBondContact O-N 3.38Å; S22-D159 WeakPolarHBondContact CB-OD2 3.42Å
23	E	63.2	Low	60.2	Low	89 Å²	89	97.2 Å²	97.2	42%	0.416	48%	0.482	S	S	.	.			trans	-73.3	99.4	-177.3	-161.7	171.5	-124.4	0	0	106.9	K18 K21 L25 R226	K18-E23 IonicContact NZ-OE1 3.78Å; K18-E23 PolarHBondContact NZ-OE1 2.82Å; K21-E23 PolarHBondContact O-N 3.33Å; E23-L25 PolarHBondContact O-N 3.01Å; E23-L25 VanDerWaalsContact O-N 3.11Å; E23-R226 IonicContact OE2-NE 3.7Å; E23-R226 PolarHBondContact OE2-NE 3.04Å
24	V	78.4	Confident	63.6	Low	102 Å²	102	86.3 Å²	86.3	62%	0.618	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-60.2	116.4	-179.3	177.1	0	0	0	0	108.1	S22 S26	S22-V24 PolarHBondContact O-N 3.38Å; V24-S26 PolarHBondContact O-N 2.95Å
25	L	86.5	Confident	66.9	Low	6 Å²	6	83.8 Å²	83.8	3%	0.031	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-66.1	134.6	-179.4	-66.1	177	0	0	0	109.9	E23 K30 I156 T157 Q162 L166	E23-L25 PolarHBondContact O-N 3.01Å; E23-L25 VanDerWaalsContact O-N 3.11Å; L25-K30 HydrophobicContact CB-CG 4.31Å; L25-K30 VanDerWaalsContact O-CE 3.24Å; L25-K30 WeakPolarHBondContact O-CE 3.29Å; L25-K30 PolarHBondContact O-NZ 2.92Å; L25-I156 HydrophobicContact CD1-CG2 3.79Å; L25-I156 HydrophobicContact CD2-CG2 3.81Å; L25-I156 HydrophobicContact CG-CG2 4.48Å; L25-T157 HydrophobicContact CD1-CG2 3.86Å; L25-Q162 HydrophobicContact CD1-CB 4.12Å; L25-Q162 HydrophobicContact CG-CB 4.25Å; L25-Q162 VanDerWaalsContact N-OE1 3.13Å; L25-L166 HydrophobicContact CD1-CB 4.39Å; L25-L166 HydrophobicContact CD1-CD1 4.15Å; L25-L166 HydrophobicContact CD1-CD2 4.34Å
26	S	90.3	Very high	70	Confident	61 Å²	61	77 Å²	77	43%	0.427	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-65.5	150.9	177.8	74.3	0	0	0	0	111.4	V24 K28 E29 K30	V24-S26 PolarHBondContact O-N 2.95Å; S26-K28 PolarHBondContact O-N 2.82Å; S26-E29 PolarHBondContact O-N 2.87Å; S26-E29 VanDerWaalsContact O-N 3.12Å; S26-E29 WeakPolarHBondContact OG-CB 3.24Å; S26-E29 PolarHBondContact OG-N 3.02Å; S26-E29 VanDerWaalsContact OG-N 3.11Å; S26-K30 WeakPolarHBondContact O-CG 3.39Å; S26-K30 PolarHBondContact O-N 2.82Å; S26-K30 VanDerWaalsContact O-N 3.07Å
27	V	90.6	Very high	73.3	Confident	85 Å²	85	68.7 Å²	68.7	52%	0.515	35%	0.346	S	S	.	.	H	α-helix	trans	-57.2	-37.9	173.8	177.2	0	0	0	0	110.9	E29 K30 I31 W169	V27-E29 VanDerWaalsContact C-N 3.34Å; V27-E29 PolarHBondContact O-N 3.02Å; V27-K30 PolarHBondContact O-N 3.35Å; V27-I31 HydrophobicContact CG1-CD1 3.81Å; V27-I31 HydrophobicContact CG1-CG1 4.3Å; V27-I31 WeakPolarHBondContact O-CG1 3.29Å; V27-I31 PolarHBondContact O-N 2.84Å; V27-W169 HydrophobicContact CG1-CH2 4.03Å; V27-W169 HydrophobicContact CG1-CZ2 4.24Å
28	K	92.5	Very high	76.5	Confident	140 Å²	140	60.5 Å²	60.5	61%	0.609	31%	0.308	S	S	*	.	H	α-helix	trans	-58.5	-44	176.3	-177.6	179.5	177.4	-177.5	0	112.2	S26 G32 T222	S26-K28 PolarHBondContact O-N 2.82Å; K28-G32 PolarHBondContact O-N 2.8Å; K28-T222 HydrophobicContact CG-CG2 4.36Å
29	E	91.7	Very high	79.6	Confident	12 Å²	12	55.3 Å²	55.3	6%	0.056	29%	0.285	C	S	.	.	H	α-helix	trans	-70.5	-35.9	179.3	-175.5	164.1	-159.6	0	0	111.9	S26 V27 G32 Y33 T222 T223 K224 R226	S26-E29 PolarHBondContact O-N 2.87Å; S26-E29 VanDerWaalsContact O-N 3.12Å; S26-E29 WeakPolarHBondContact OG-CB 3.24Å; S26-E29 PolarHBondContact OG-N 3.02Å; S26-E29 VanDerWaalsContact OG-N 3.11Å; V27-E29 VanDerWaalsContact C-N 3.34Å; V27-E29 PolarHBondContact O-N 3.02Å; E29-G32 PolarHBondContact O-N 2.85Å; E29-Y33 PolarHBondContact O-N 2.89Å; E29-T222 WeakPolarHBondContact CG-O 3.48Å; E29-T223 HydrophobicContact CG-CG2 4.49Å; E29-K224 PolarHBondContact OE1-N 3.18Å; E29-R226 VanDerWaalsContact CD-NH2 3.32Å; E29-R226 IonicContact OE1-CZ 3.48Å; E29-R226 IonicContact OE1-NH1 2.95Å; E29-R226 PolarHBondContact OE1-NH1 2.99Å; E29-R226 IonicContact OE1-NH2 3.37Å; E29-R226 PolarHBondContact OE1-NH2 3.28Å; E29-R226 VanDerWaalsContact OE1-NH2 3.09Å; E29-R226 IonicContact OE2-CZ 3.66Å; E29-R226 IonicContact OE2-NH1 3.92Å; E29-R226 IonicContact OE2-NH2 2.95Å; E29-R226 PolarHBondContact OE2-NH2 2.9Å
30	K	93.4	Very high	82.5	Confident	20 Å²	20	47.8 Å²	47.8	9%	0.087	25%	0.25	C	C	.	.	H	α-helix	trans	-64.7	-45.4	174.2	-66.7	174.2	-174.4	178.9	0	112.2	L25 S26 V27 G32 Y33 G34 S165 L166 W169	L25-K30 HydrophobicContact CB-CG 4.31Å; L25-K30 VanDerWaalsContact O-CE 3.24Å; L25-K30 WeakPolarHBondContact O-CE 3.29Å; L25-K30 PolarHBondContact O-NZ 2.92Å; S26-K30 WeakPolarHBondContact O-CG 3.39Å; S26-K30 PolarHBondContact O-N 2.82Å; S26-K30 VanDerWaalsContact O-N 3.07Å; V27-K30 PolarHBondContact O-N 3.35Å; K30-G32 VanDerWaalsContact C-N 3.33Å; K30-Y33 PolarHBondContact O-N 2.81Å; K30-G34 PolarHBondContact O-N 3.38Å; K30-S165 WeakPolarHBondContact CE-OG 3.49Å; K30-S165 PolarHBondContact NZ-OG 3.45Å; K30-L166 HydrophobicContact CB-CD1 4.49Å; K30-L166 HydrophobicContact CG-CD1 4.16Å; K30-W169 HydrophobicContact CB-CB 4.14Å; K30-W169 HydrophobicContact CB-CD2 4.27Å; K30-W169 HydrophobicContact CB-CG 3.91Å; K30-W169 HydrophobicContact CD-CG 4.49Å
31	I	94.4	Very high	85.1	Confident	50 Å²	50	41.3 Å²	41.3	26%	0.256	22%	0.217	S	C	.	.	H	α-helix	trans	-61.9	-45.8	172.9	-66.6	170.1	0	0	0	109.6	V27 Y33 G34 M35 W169 L173 F218	V27-I31 HydrophobicContact CG1-CD1 3.81Å; V27-I31 HydrophobicContact CG1-CG1 4.3Å; V27-I31 WeakPolarHBondContact O-CG1 3.29Å; V27-I31 PolarHBondContact O-N 2.84Å; I31-Y33 PolarHBondContact O-N 3.45Å; I31-G34 PolarHBondContact O-N 3.49Å; I31-M35 HydrophobicContact CG2-CE 3.91Å; I31-M35 HydrophobicContact CG2-CG 4.13Å; I31-M35 VanDerWaalsContact O-CG 3.24Å; I31-M35 WeakPolarHBondContact O-CG 3.4Å; I31-M35 PolarHBondContact O-N 2.92Å; I31-W169 HydrophobicContact CD1-CZ3 4.1Å; I31-W169 HydrophobicContact CG1-CE3 3.84Å; I31-W169 HydrophobicContact CG1-CH2 4.46Å; I31-W169 HydrophobicContact CG1-CZ3 3.62Å; I31-L173 HydrophobicContact CG2-CD1 4.27Å; I31-F218 HydrophobicContact CG2-CE1 4.24Å
32	G	93.9	Very high	87.8	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-49.3	-55.7	175.2	0	0	0	0	0	113.3	K28 E29 K30 M35 C219 T222	K28-G32 PolarHBondContact O-N 2.8Å; E29-G32 PolarHBondContact O-N 2.85Å; K30-G32 VanDerWaalsContact C-N 3.33Å; G32-M35 PolarHBondContact O-N 2.72Å; G32-C219 VanDerWaalsContact O-CA 3.28Å; G32-C219 WeakPolarHBondContact O-CA 3.2Å; G32-C219 WeakPolarHBondContact O-CB 3.34Å; G32-T222 WeakPolarHBondContact CA-OG1 3.22Å
33	Y	94.4	Very high	89.5	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-60.4	-46.9	176.6	-179.1	-112.5	0	0	0	111.8	E29 K30 I31 M35 G36 Y149 L152 G153 I156 L166 R170	E29-Y33 PolarHBondContact O-N 2.89Å; K30-Y33 PolarHBondContact O-N 2.81Å; I31-Y33 PolarHBondContact O-N 3.45Å; Y33-M35 VanDerWaalsContact C-N 3.3Å; Y33-M35 PolarHBondContact O-N 3.5Å; Y33-G36 PolarHBondContact O-N 3.04Å; Y33-G36 VanDerWaalsContact O-N 3.11Å; Y33-Y149 AromaticContact CD2-CE2 3.85Å; Y33-Y149 HydrophobicContact CD2-CE2 3.85Å; Y33-Y149 HydrophobicContact CE2-CD2 4.39Å; Y33-Y149 AromaticContact CE2-CE2 3.74Å; Y33-Y149 HydrophobicContact CE2-CE2 3.74Å; Y33-Y149 AromaticContact CE2-CZ 3.91Å; Y33-Y149 VanDerWaalsContact O-CE2 3.24Å; Y33-Y149 WeakPolarHBondContact O-CE2 3.5Å; Y33-Y149 PolarHBondContact O-OH 3.18Å; Y33-L152 HydrophobicContact CD2-CD2 4.35Å; Y33-L152 HydrophobicContact CE2-CB 4.27Å; Y33-L152 HydrophobicContact CE2-CG 4.46Å; Y33-G153 WeakPolarHBondContact OH-CA 3.41Å; Y33-I156 HydrophobicContact CD2-CD1 3.52Å; Y33-I156 HydrophobicContact CE2-CD1 4.07Å; Y33-I156 HydrophobicContact CG-CD1 3.98Å; Y33-L166 HydrophobicContact CD1-CD1 3.57Å; Y33-L166 HydrophobicContact CD1-CD2 3.93Å; Y33-L166 HydrophobicContact CD1-CG 3.4Å; Y33-L166 VanDerWaalsContact CD1-CG 3.4Å; Y33-L166 HydrophobicContact CE1-CD1 4.44Å; Y33-L166 HydrophobicContact CE1-CD2 4.05Å; Y33-L166 HydrophobicContact CE1-CG 3.8Å; Y33-L166 HydrophobicContact CG-CD1 3.82Å; Y33-L166 HydrophobicContact CG-CD2 4.29Å; Y33-L166 HydrophobicContact CG-CG 4.04Å; Y33-R170 HydrophobicContact CD1-CB 4.13Å; Y33-R170 HydrophobicContact CE1-CB 4.02Å; Y33-R170 HydrophobicContact CE1-CG 4.15Å
34	G	93.8	Very high	90.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-67.4	-26.1	-178.5	0	0	0	0	0	114.8	K30 I31 G36 D37 A38	K30-G34 PolarHBondContact O-N 3.38Å; I31-G34 PolarHBondContact O-N 3.49Å; G34-G36 PolarHBondContact O-N 2.8Å; G34-D37 PolarHBondContact O-N 3.25Å; G34-A38 PolarHBondContact O-N 2.88Å; G34-A38 VanDerWaalsContact O-N 3.11Å
35	M	93.9	Very high	90.6	Very high	46 Å²	46	26.6 Å²	26.6	23%	0.227	14%	0.137	C	C	.	.	H	α-helix	trans	-64	-27.3	172.7	-72.5	-68	172	0	0	112.5	I31 G32 Y33 A39 L173 M215 F218	I31-M35 HydrophobicContact CG2-CE 3.91Å; I31-M35 HydrophobicContact CG2-CG 4.13Å; I31-M35 VanDerWaalsContact O-CG 3.24Å; I31-M35 WeakPolarHBondContact O-CG 3.4Å; I31-M35 PolarHBondContact O-N 2.92Å; G32-M35 PolarHBondContact O-N 2.72Å; Y33-M35 VanDerWaalsContact C-N 3.3Å; Y33-M35 PolarHBondContact O-N 3.5Å; M35-A39 WeakPolarHBondContact O-CB 3.13Å; M35-A39 PolarHBondContact O-N 3.2Å; M35-L173 HydrophobicContact CE-CD1 4.41Å; M35-L173 HydrophobicContact CE-CD2 4.03Å; M35-M215 HydrophobicContact CB-CB 4.28Å; M35-M215 HydrophobicContact SD-CE 3.29Å; M35-M215 WeakPolarHBondContact SD-CE 3.48Å; M35-M215 HydrophobicContact SD-CG 4.32Å; M35-F218 HydrophobicContact CB-CD1 4.23Å; M35-F218 HydrophobicContact CG-CD1 4.06Å; M35-F218 HydrophobicContact CG-CE1 4.36Å
36	G	93	Very high	90.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.8	-42.2	174.2	0	0	0	0	0	112.9	Y33 G34 A39 S40	Y33-G36 PolarHBondContact O-N 3.04Å; Y33-G36 VanDerWaalsContact O-N 3.11Å; G34-G36 PolarHBondContact O-N 2.8Å; G36-A39 WeakPolarHBondContact O-CB 3.23Å; G36-A39 PolarHBondContact O-N 2.74Å; G36-S40 PolarHBondContact O-N 2.98Å; G36-S40 PolarHBondContact O-OG 2.71Å
37	D	91.1	Very high	90	Very high	4 Å²	4	24 Å²	24	2%	0.021	12%	0.119	C	C	.	.	H	α-helix	trans	-73.1	-39.2	177.3	-144.1	30.7	0	0	0	111.5	G34 A39 S40 H41 Y149 R170 A174	G34-D37 PolarHBondContact O-N 3.25Å; D37-A39 PolarHBondContact O-N 3.45Å; D37-S40 WeakPolarHBondContact O-CB 3.3Å; D37-S40 PolarHBondContact O-N 3.19Å; D37-S40 VanDerWaalsContact O-N 3.14Å; D37-H41 WeakPolarHBondContact O-CB 3.19Å; D37-H41 PolarHBondContact O-CD2 3.12Å; D37-H41 PolarHBondContact O-N 2.98Å; D37-Y149 HydrophobicContact CB-CE1 3.71Å; D37-Y149 WeakPolarHBondContact CB-OH 3.43Å; D37-Y149 PolarHBondContact N-OH 2.86Å; D37-Y149 VanDerWaalsContact N-OH 3.13Å; D37-R170 HydrophobicContact CB-CG 3.74Å; D37-R170 IonicContact OD1-CZ 2.94Å; D37-R170 IonicContact OD1-NE 2.89Å; D37-R170 IonicContact OD1-NH2 3.74Å; D37-R170 PolarHBondContact OD1-NH2 2.86Å; D37-R170 WeakPolarHBondContact OD2-CG 3.41Å; D37-R170 IonicContact OD2-CZ 2.73Å; D37-R170 IonicContact OD2-NE 3.87Å; D37-R170 PolarHBondContact OD2-NE 2.75Å; D37-R170 IonicContact OD2-NH2 2.81Å; D37-R170 PolarHBondContact OD2-NH2 2.96Å; D37-A174 HydrophobicContact CB-CB 3.99Å; D37-A174 WeakPolarHBondContact OD2-CB 3.4Å
38	A	93	Very high	89.3	Confident	2 Å²	2	25.1 Å²	25.1	2%	0.017	12%	0.12	C	C	.	.	H	α-helix	trans	-57	-41.6	175.1	0	0	0	0	0	111.4	G34 H41 I42 L173 M215	G34-A38 PolarHBondContact O-N 2.88Å; G34-A38 VanDerWaalsContact O-N 3.11Å; A38-H41 PolarHBondContact O-N 2.81Å; A38-I42 WeakPolarHBondContact O-CG1 3.2Å; A38-I42 PolarHBondContact O-N 3.4Å; A38-L173 HydrophobicContact CB-CB 4.32Å; A38-L173 VanDerWaalsContact CB-O 3.27Å; A38-L173 WeakPolarHBondContact CB-O 3.47Å; A38-M215 HydrophobicContact CB-CE 3.55Å
39	A	92.2	Very high	88.4	Confident	0 Å²	0	23 Å²	23	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-61.6	-46.4	174.3	0	0	0	0	0	112.4	M35 G36 D37 H41 I42 A212 M215 L216	M35-A39 WeakPolarHBondContact O-CB 3.13Å; M35-A39 PolarHBondContact O-N 3.2Å; G36-A39 WeakPolarHBondContact O-CB 3.23Å; G36-A39 PolarHBondContact O-N 2.74Å; D37-A39 PolarHBondContact O-N 3.45Å; A39-H41 VanDerWaalsContact C-N 3.33Å; A39-H41 PolarHBondContact O-N 2.82Å; A39-I42 PolarHBondContact O-N 2.9Å; A39-A212 HydrophobicContact CB-CB 4.01Å; A39-A212 WeakPolarHBondContact CB-O 3.46Å; A39-M215 HydrophobicContact CB-CB 3.79Å; A39-M215 HydrophobicContact CB-SD 4.44Å; A39-L216 HydrophobicContact CB-CD1 4.22Å; A39-L216 HydrophobicContact CB-CD2 4.18Å; A39-L216 HydrophobicContact CB-CG 3.7Å
40	S	89.7	Confident	88	Confident	0 Å²	0	24 Å²	24	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-60.3	-41.5	176	-72.1	0	0	0	0	111.9	G36 D37 I43 F44 N146	G36-S40 PolarHBondContact O-N 2.98Å; G36-S40 PolarHBondContact O-OG 2.71Å; D37-S40 WeakPolarHBondContact O-CB 3.3Å; D37-S40 PolarHBondContact O-N 3.19Å; D37-S40 VanDerWaalsContact O-N 3.14Å; S40-I43 PolarHBondContact O-N 2.72Å; S40-F44 WeakPolarHBondContact O-CB 3.48Å; S40-F44 PolarHBondContact O-N 3.33Å; S40-N146 PolarHBondContact OG-OD1 2.87Å
41	H	87.8	Confident	87.7	Confident	47 Å²	47	23 Å²	23	22%	0.218	11%	0.114	C	C	.	.	H	α-helix	trans	-69.2	-34.2	178.1	-92.1	-87.2	0	0	0	113.4	D37 A38 A39 I43 F44 D45	D37-H41 WeakPolarHBondContact O-CB 3.19Å; D37-H41 PolarHBondContact O-CD2 3.12Å; D37-H41 PolarHBondContact O-N 2.98Å; A38-H41 PolarHBondContact O-N 2.81Å; A39-H41 VanDerWaalsContact C-N 3.33Å; A39-H41 PolarHBondContact O-N 2.82Å; H41-I43 PolarHBondContact O-N 2.8Å; H41-F44 PolarHBondContact O-N 3.45Å; H41-D45 IonicContact CG-OD2 2.68Å; H41-D45 IonicContact ND1-OD1 3.2Å; H41-D45 PolarHBondContact ND1-OD1 3.41Å; H41-D45 IonicContact ND1-OD2 3.55Å; H41-D45 PolarHBondContact ND1-OD2 2.82Å; H41-D45 VanDerWaalsContact O-CB 3.28Å; H41-D45 WeakPolarHBondContact O-CB 3.39Å; H41-D45 PolarHBondContact O-N 2.8Å
42	I	89.1	Confident	87.1	Confident	0 Å²	0	24 Å²	24	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-55.9	-42.8	174.6	-75.2	166.1	0	0	0	110.7	A38 A39 N46 G177 L180 S181 L208 V211 M215	A38-I42 WeakPolarHBondContact O-CG1 3.2Å; A38-I42 PolarHBondContact O-N 3.4Å; A39-I42 PolarHBondContact O-N 2.9Å; I42-N46 VanDerWaalsContact O-CB 3.22Å; I42-N46 WeakPolarHBondContact O-CB 3.43Å; I42-G177 WeakPolarHBondContact CG1-O 3.37Å; I42-L180 HydrophobicContact CD1-CD2 4.47Å; I42-S181 VanDerWaalsContact O-CB 3.3Å; I42-S181 WeakPolarHBondContact O-CB 3.49Å; I42-S181 PolarHBondContact O-OG 3.38Å; I42-L208 HydrophobicContact CG2-CB 3.88Å; I42-L208 HydrophobicContact CG2-CD2 4.3Å; I42-L208 HydrophobicContact CG2-CG 4.47Å; I42-V211 HydrophobicContact CD1-CG1 4.24Å; I42-M215 HydrophobicContact CD1-CE 4.34Å; I42-M215 HydrophobicContact CD1-SD 3.63Å
43	I	86.3	Confident	86.4	Confident	4 Å²	4	28.4 Å²	28.4	2%	0.021	14%	0.137	C	C	.	.	H	α-helix	trans	-82.8	-48.4	179.8	-65.5	168.5	0	0	0	110.8	S40 H41 D45 N46 V47 F109 A212	S40-I43 PolarHBondContact O-N 2.72Å; H41-I43 PolarHBondContact O-N 2.8Å; I43-D45 PolarHBondContact O-N 2.9Å; I43-N46 WeakPolarHBondContact O-CB 3.22Å; I43-N46 PolarHBondContact O-N 3.29Å; I43-V47 HydrophobicContact CG2-CG2 4.06Å; I43-V47 VanDerWaalsContact O-CG2 3.24Å; I43-V47 WeakPolarHBondContact O-CG2 3.49Å; I43-V47 PolarHBondContact O-N 2.95Å; I43-F109 HydrophobicContact CB-CE1 4.31Å; I43-F109 HydrophobicContact CB-CZ 3.97Å; I43-F109 HydrophobicContact CD1-CD1 3.99Å; I43-F109 HydrophobicContact CD1-CE1 3.33Å; I43-F109 HydrophobicContact CD1-CZ 3.72Å; I43-F109 HydrophobicContact CG1-CE1 4.39Å; I43-F109 HydrophobicContact CG1-CZ 4.44Å; I43-F109 HydrophobicContact CG2-CE1 4.34Å; I43-F109 HydrophobicContact CG2-CE2 4.23Å; I43-F109 HydrophobicContact CG2-CZ 3.58Å; I43-A212 HydrophobicContact CD1-CB 4Å; I43-A212 HydrophobicContact CG1-CB 4.4Å
44	F	82.7	Confident	86.2	Confident	41 Å²	41	28.4 Å²	28.4	18%	0.18	14%	0.137	C	C	.	.	H	α-helix	trans	-61.6	-47.4	-173.9	-175.8	-94.6	0	0	0	112.6	S40 H41 N46 V47 M48 Y142	S40-F44 WeakPolarHBondContact O-CB 3.48Å; S40-F44 PolarHBondContact O-N 3.33Å; H41-F44 PolarHBondContact O-N 3.45Å; F44-N46 VanDerWaalsContact C-N 3.3Å; F44-N46 PolarHBondContact O-N 3.42Å; F44-V47 PolarHBondContact O-N 2.91Å; F44-M48 HydrophobicContact CD1-CG 4.4Å; F44-M48 HydrophobicContact CE1-CE 4.32Å; F44-M48 HydrophobicContact CE1-CG 4.04Å; F44-M48 HydrophobicContact CE1-SD 3.72Å; F44-M48 HydrophobicContact CZ-CE 3.95Å; F44-M48 HydrophobicContact CZ-CG 4.27Å; F44-M48 HydrophobicContact CZ-SD 3.98Å; F44-M48 PolarHBondContact O-N 2.63Å; F44-Y142 HydrophobicContact CB-CE2 4.09Å; F44-Y142 HydrophobicContact CD2-CE1 4.25Å; F44-Y142 HydrophobicContact CD2-CE2 4.22Å; F44-Y142 AromaticContact CD2-CZ 3.89Å
45	D	81.4	Confident	86.1	Confident	40 Å²	40	28.4 Å²	28.4	21%	0.214	14%	0.137	C	C	.	.	H	α-helix	trans	-69.4	-33.2	-178.7	-63.2	-18.8	0	0	0	110.7	H41 I43 M48 L49 G178 T182	H41-D45 IonicContact CG-OD2 2.68Å; H41-D45 IonicContact ND1-OD1 3.2Å; H41-D45 PolarHBondContact ND1-OD1 3.41Å; H41-D45 IonicContact ND1-OD2 3.55Å; H41-D45 PolarHBondContact ND1-OD2 2.82Å; H41-D45 VanDerWaalsContact O-CB 3.28Å; H41-D45 WeakPolarHBondContact O-CB 3.39Å; H41-D45 PolarHBondContact O-N 2.8Å; I43-D45 PolarHBondContact O-N 2.9Å; D45-M48 PolarHBondContact O-N 3.14Å; D45-L49 VanDerWaalsContact O-CB 3.29Å; D45-L49 WeakPolarHBondContact O-CB 3.46Å; D45-L49 PolarHBondContact O-N 3.07Å; D45-G178 WeakPolarHBondContact OD2-CA 3.19Å; D45-T182 HydrophobicContact CB-CG2 4.42Å
46	N	83.3	Confident	85.6	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-65.4	-46.5	173.6	-170.5	-81.8	0	0	0	112.2	I42 I43 F44 M48 L49 Y50 Y117 S181 M185 I205	I42-N46 VanDerWaalsContact O-CB 3.22Å; I42-N46 WeakPolarHBondContact O-CB 3.43Å; I43-N46 WeakPolarHBondContact O-CB 3.22Å; I43-N46 PolarHBondContact O-N 3.29Å; F44-N46 VanDerWaalsContact C-N 3.3Å; F44-N46 PolarHBondContact O-N 3.42Å; N46-M48 VanDerWaalsContact C-N 3.29Å; N46-M48 PolarHBondContact O-N 3.17Å; N46-L49 PolarHBondContact O-N 2.89Å; N46-Y50 PolarHBondContact O-N 3.01Å; N46-Y117 PolarHBondContact OD1-OH 3.33Å; N46-S181 WeakPolarHBondContact CB-OG 3.4Å; N46-M185 WeakPolarHBondContact ND2-CE 3.49Å; N46-M185 WeakPolarHBondContact ND2-CG 3.35Å; N46-M185 PolarHBondContact ND2-SD 2.82Å; N46-M185 VanDerWaalsContact ND2-SD 3.38Å; N46-M185 WeakPolarHBondContact OD1-CE 3.33Å; N46-I205 HydrophobicContact CB-CD1 4.44Å
47	V	82	Confident	85.1	Confident	13 Å²	13	32.9 Å²	32.9	8%	0.079	16%	0.164	C	C	.	.	H	α-helix	trans	-61.9	-41.2	177.5	171.3	0	0	0	0	110.2	I43 F44 L49 M51 Y135 L138	I43-V47 HydrophobicContact CG2-CG2 4.06Å; I43-V47 VanDerWaalsContact O-CG2 3.24Å; I43-V47 WeakPolarHBondContact O-CG2 3.49Å; I43-V47 PolarHBondContact O-N 2.95Å; F44-V47 PolarHBondContact O-N 2.91Å; V47-L49 VanDerWaalsContact C-N 3.34Å; V47-L49 PolarHBondContact O-N 3.39Å; V47-M51 HydrophobicContact CG1-CB 4.07Å; V47-M51 HydrophobicContact CG1-CE 4.29Å; V47-M51 HydrophobicContact CG1-CG 4.39Å; V47-M51 HydrophobicContact CG2-CE 3.93Å; V47-M51 WeakPolarHBondContact O-CB 3.39Å; V47-M51 PolarHBondContact O-N 2.76Å; V47-Y135 HydrophobicContact CG1-CE2 3.69Å; V47-L138 HydrophobicContact CG2-CD2 3.83Å
48	M	75	Confident	85	Confident	108 Å²	108	34.4 Å²	34.4	53%	0.532	17%	0.172	S	C	.	.	H	α-helix	trans	-64.9	-36.8	175.8	-77.3	-145.7	139.2	0	0	112.8	F44 D45 N46	F44-M48 HydrophobicContact CD1-CG 4.4Å; F44-M48 HydrophobicContact CE1-CE 4.32Å; F44-M48 HydrophobicContact CE1-CG 4.04Å; F44-M48 HydrophobicContact CE1-SD 3.72Å; F44-M48 HydrophobicContact CZ-CE 3.95Å; F44-M48 HydrophobicContact CZ-CG 4.27Å; F44-M48 HydrophobicContact CZ-SD 3.98Å; F44-M48 PolarHBondContact O-N 2.63Å; D45-M48 PolarHBondContact O-N 3.14Å; N46-M48 VanDerWaalsContact C-N 3.29Å; N46-M48 PolarHBondContact O-N 3.17Å
49	L	74.2	Confident	85	Confident	96 Å²	96	34.5 Å²	34.5	50%	0.503	17%	0.171	S	C	.	.	H	α-helix	trans	-86.3	-45.1	-174.7	-171.2	63.1	0	0	0	114	D45 N46 V47 T182	D45-L49 VanDerWaalsContact O-CB 3.29Å; D45-L49 WeakPolarHBondContact O-CB 3.46Å; D45-L49 PolarHBondContact O-N 3.07Å; N46-L49 PolarHBondContact O-N 2.89Å; V47-L49 VanDerWaalsContact C-N 3.34Å; V47-L49 PolarHBondContact O-N 3.39Å; L49-T182 HydrophobicContact CD2-CG2 3.78Å
50	Y	82.7	Confident	84.7	Confident	33 Å²	33	36.1 Å²	36.1	13%	0.129	19%	0.188	C	C	.	.	H	α-helix	trans	-109.9	-20.9	-167.8	-65.4	-71	0	0	0	114.8	N46 M52 F53 F54 T182 M185 M186 F201	N46-Y50 PolarHBondContact O-N 3.01Å; Y50-M52 VanDerWaalsContact C-N 3.35Å; Y50-M52 PolarHBondContact O-N 2.85Å; Y50-F53 PolarHBondContact O-N 2.89Å; Y50-F54 WeakPolarHBondContact O-CB 3.34Å; Y50-F54 PolarHBondContact O-N 2.81Å; Y50-T182 PolarHBondContact OH-O 3.19Å; Y50-T182 VanDerWaalsContact OH-O 3.06Å; Y50-M185 HydrophobicContact CD2-CB 4.03Å; Y50-M185 HydrophobicContact CD2-CG 3.68Å; Y50-M185 HydrophobicContact CE2-CB 3.47Å; Y50-M185 VanDerWaalsContact CE2-CB 3.47Å; Y50-M185 HydrophobicContact CE2-CG 3.63Å; Y50-M185 HydrophobicContact CG-CG 4.22Å; Y50-M186 HydrophobicContact CE1-CG 3.86Å; Y50-M186 HydrophobicContact CE1-SD 3.93Å; Y50-F201 HydrophobicContact CD1-CE1 4.28Å; Y50-F201 HydrophobicContact CG-CE1 4.45Å
51	M	86.8	Confident	84.8	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-64.5	-38.6	-171.9	-170.1	66.1	76.2	0	0	112.8	V47 F54 Y55 F70 A116 Y117 Y135 L138	V47-M51 HydrophobicContact CG1-CB 4.07Å; V47-M51 HydrophobicContact CG1-CE 4.29Å; V47-M51 HydrophobicContact CG1-CG 4.39Å; V47-M51 HydrophobicContact CG2-CE 3.93Å; V47-M51 WeakPolarHBondContact O-CB 3.39Å; V47-M51 PolarHBondContact O-N 2.76Å; M51-F54 PolarHBondContact O-N 2.93Å; M51-F54 HydrophobicContact SD-CD1 4.39Å; M51-Y55 HydrophobicContact CG-CD2 3.79Å; M51-Y55 HydrophobicContact CG-CE2 3.53Å; M51-Y55 PolarHBondContact O-N 3.12Å; M51-Y55 HydrophobicContact SD-CD2 4.09Å; M51-Y55 HydrophobicContact SD-CE1 4.18Å; M51-Y55 HydrophobicContact SD-CE2 3.56Å; M51-Y55 VanDerWaalsContact SD-CE2 3.56Å; M51-Y55 VanDerWaalsContact SD-CZ 3.6Å; M51-F70 HydrophobicContact CB-CZ 4.12Å; M51-F70 HydrophobicContact CG-CE1 4.18Å; M51-F70 HydrophobicContact CG-CZ 3.79Å; M51-A116 HydrophobicContact CE-CB 3.93Å; M51-Y117 HydrophobicContact CE-CD2 3.74Å; M51-Y117 HydrophobicContact CE-CE2 3.29Å; M51-Y117 HydrophobicContact SD-CD2 4.42Å; M51-Y117 HydrophobicContact SD-CE1 4.36Å; M51-Y117 HydrophobicContact SD-CE2 4.09Å; M51-Y135 HydrophobicContact CG-CD2 4.23Å; M51-Y135 HydrophobicContact CG-CE2 4.22Å; M51-L138 HydrophobicContact CE-CD2 4.09Å
52	M	82.8	Confident	84.7	Confident	69 Å²	69	37.3 Å²	37.3	34%	0.34	20%	0.2	S	C	.	.	H	α-helix	trans	-59.5	-49.3	176.6	-175	64.9	-178.3	0	0	110.8	Y50 Y55 T56 A63 V66 F70	Y50-M52 VanDerWaalsContact C-N 3.35Å; Y50-M52 PolarHBondContact O-N 2.85Å; M52-Y55 PolarHBondContact O-N 3.49Å; M52-T56 HydrophobicContact CE-CG2 4.1Å; M52-T56 WeakPolarHBondContact O-CB 3.42Å; M52-T56 WeakPolarHBondContact O-CG2 3.24Å; M52-T56 PolarHBondContact O-N 2.9Å; M52-T56 VanDerWaalsContact O-N 3.1Å; M52-T56 PolarHBondContact O-OG1 2.93Å; M52-T56 HydrophobicContact SD-CG2 4.49Å; M52-A63 HydrophobicContact CE-CB 3.75Å; M52-V66 HydrophobicContact CE-CB 4.49Å; M52-V66 HydrophobicContact SD-CB 4.02Å; M52-V66 HydrophobicContact SD-CG1 3.55Å; M52-V66 VanDerWaalsContact SD-CG1 3.55Å; M52-F70 HydrophobicContact CB-CE2 4.15Å; M52-F70 HydrophobicContact SD-CE2 4.06Å
53	F	79.6	Confident	84.1	Confident	93 Å²	93	39.8 Å²	39.8	41%	0.408	22%	0.22	S	C	.	.	H	α-helix	trans	-62.1	-43.5	176.9	176.8	-98.4	0	0	0	111.6	Y50 Y55 T56 D57 I58 F201	Y50-F53 PolarHBondContact O-N 2.89Å; F53-Y55 PolarHBondContact O-N 2.78Å; F53-T56 PolarHBondContact O-N 2.84Å; F53-T56 PolarHBondContact O-OG1 2.89Å; F53-D57 HydrophobicContact CD2-CB 3.93Å; F53-D57 WeakPolarHBondContact CD2-OD2 3.41Å; F53-D57 HydrophobicContact CE1-CB 4.43Å; F53-D57 HydrophobicContact CE2-CB 3.62Å; F53-D57 VanDerWaalsContact CE2-CG 3.45Å; F53-D57 HydrophobicContact CG-CB 4.46Å; F53-D57 HydrophobicContact CZ-CB 3.9Å; F53-D57 WeakPolarHBondContact O-CB 3.48Å; F53-D57 PolarHBondContact O-N 2.88Å; F53-I58 HydrophobicContact CD1-CG1 4.5Å; F53-I58 HydrophobicContact CE1-CD1 4.12Å; F53-I58 HydrophobicContact CE1-CG1 4.15Å; F53-F201 HydrophobicContact CD1-CE2 4.46Å; F53-F201 AromaticContact CD1-CZ 3.99Å; F53-F201 HydrophobicContact CD1-CZ 3.99Å; F53-F201 HydrophobicContact CE1-CE2 4.1Å; F53-F201 AromaticContact CE1-CZ 3.94Å; F53-F201 HydrophobicContact CE1-CZ 3.94Å
54	F	90	Very high	83.6	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.248	C	C	.	.	I	π-helix	trans	-60.7	-48.5	178	175.9	-96.2	0	0	0	112.3	Y50 M51 T56 I58 F59 A116 Y117 T119 F201	Y50-F54 WeakPolarHBondContact O-CB 3.34Å; Y50-F54 PolarHBondContact O-N 2.81Å; M51-F54 PolarHBondContact O-N 2.93Å; M51-F54 HydrophobicContact SD-CD1 4.39Å; F54-T56 VanDerWaalsContact C-N 3.33Å; F54-T56 PolarHBondContact O-N 2.58Å; F54-I58 HydrophobicContact CD2-CB 3.76Å; F54-I58 HydrophobicContact CD2-CG1 4.12Å; F54-I58 HydrophobicContact CD2-CG2 3.85Å; F54-I58 HydrophobicContact CE2-CB 4.07Å; F54-I58 HydrophobicContact CE2-CG2 3.69Å; F54-I58 HydrophobicContact CG-CB 4.43Å; F54-I58 CarbonylContact O-C 3.57Å; F54-I58 WeakPolarHBondContact O-CA 3.21Å; F54-I58 VanDerWaalsContact O-CB 3.29Å; F54-I58 WeakPolarHBondContact O-CB 3.2Å; F54-I58 PolarHBondContact O-N 2.91Å; F54-I58 VanDerWaalsContact O-N 3.12Å; F54-F59 HydrophobicContact CE1-CB 4.36Å; F54-F59 PolarHBondContact O-N 3.21Å; F54-A116 WeakPolarHBondContact CE1-O 3.46Å; F54-Y117 HydrophobicContact CB-CD1 4.08Å; F54-Y117 HydrophobicContact CB-CE1 3.73Å; F54-Y117 AromaticContact CD1-CD1 3.81Å; F54-Y117 HydrophobicContact CD1-CD1 3.81Å; F54-Y117 HydrophobicContact CD1-CE1 4.22Å; F54-Y117 AromaticContact CD2-CD1 3.64Å; F54-Y117 HydrophobicContact CD2-CD1 3.64Å; F54-Y117 HydrophobicContact CD2-CE1 4.11Å; F54-Y117 VanDerWaalsContact CE1-CA 3.5Å; F54-Y117 HydrophobicContact CE1-CD1 4.18Å; F54-Y117 HydrophobicContact CE2-CD1 4Å; F54-Y117 AromaticContact CG-CD1 3.53Å; F54-Y117 HydrophobicContact CG-CD1 3.53Å; F54-Y117 AromaticContact CG-CE1 3.74Å; F54-Y117 HydrophobicContact CG-CE1 3.74Å; F54-Y117 HydrophobicContact CZ-CD1 4.26Å; F54-Y117 WeakPolarHBondContact CZ-O 3.46Å; F54-T119 HydrophobicContact CE1-CG2 4.43Å; F54-T119 HydrophobicContact CE2-CG2 4.06Å; F54-T119 HydrophobicContact CZ-CG2 3.54Å; F54-F201 HydrophobicContact CD2-CB 3.72Å; F54-F201 HydrophobicContact CD2-CD1 4.31Å; F54-F201 HydrophobicContact CD2-CD2 4.23Å; F54-F201 AromaticContact CD2-CG 3.84Å; F54-F201 HydrophobicContact CD2-CG 3.84Å; F54-F201 HydrophobicContact CE2-CB 3.81Å; F54-F201 HydrophobicContact CE2-CG 4.4Å
55	Y	91.7	Very high	83.9	Confident	0 Å²	0	44 Å²	44	0%	0	26%	0.255	C	S	.	.	I	π-helix	trans	-67	-34.5	-179.4	-75.5	-35.9	0	0	0	113.4	M51 M52 F53 F59 G60 I61 V66 M69 F70 A116 A131 Y135	M51-Y55 HydrophobicContact CG-CD2 3.79Å; M51-Y55 HydrophobicContact CG-CE2 3.53Å; M51-Y55 PolarHBondContact O-N 3.12Å; M51-Y55 HydrophobicContact SD-CD2 4.09Å; M51-Y55 HydrophobicContact SD-CE1 4.18Å; M51-Y55 HydrophobicContact SD-CE2 3.56Å; M51-Y55 VanDerWaalsContact SD-CE2 3.56Å; M51-Y55 VanDerWaalsContact SD-CZ 3.6Å; M52-Y55 PolarHBondContact O-N 3.49Å; F53-Y55 PolarHBondContact O-N 2.78Å; Y55-F59 HydrophobicContact CD1-CB 4.49Å; Y55-F59 AromaticContact CD1-CD1 3.97Å; Y55-F59 HydrophobicContact CD1-CD1 3.97Å; Y55-F59 HydrophobicContact CE1-CD1 4.35Å; Y55-G60 PolarHBondContact O-N 2.91Å; Y55-I61 HydrophobicContact CD1-CD1 4.37Å; Y55-I61 WeakPolarHBondContact O-CB 3.33Å; Y55-I61 PolarHBondContact O-N 3.41Å; Y55-V66 HydrophobicContact CD2-CG1 3.89Å; Y55-V66 HydrophobicContact CG-CG1 4.49Å; Y55-M69 HydrophobicContact CD2-CE 3.78Å; Y55-M69 HydrophobicContact CE2-CE 3.52Å; Y55-F70 HydrophobicContact CD2-CE1 4.14Å; Y55-F70 HydrophobicContact CD2-CZ 4.21Å; Y55-F70 HydrophobicContact CE2-CE1 4.09Å; Y55-F70 HydrophobicContact CE2-CZ 4.48Å; Y55-A116 VanDerWaalsContact CE1-O 3.24Å; Y55-A116 WeakPolarHBondContact CE1-O 3.49Å; Y55-A116 PolarHBondContact OH-O 3.38Å; Y55-A131 HydrophobicContact CD1-CB 4.13Å; Y55-A131 HydrophobicContact CE1-CB 3.8Å; Y55-A131 HydrophobicContact CE2-CB 4.39Å; Y55-Y135 HydrophobicContact CE2-CD2 4.23Å
56	T	84.2	Confident	84	Confident	32 Å²	32	42 Å²	42	20%	0.196	25%	0.245	C	C	.	.	I	π-helix	trans	-83.1	-60.5	-177.8	49.8	0	0	0	0	111.9	M52 F53 F54 G60 I61 A63 V66	M52-T56 HydrophobicContact CE-CG2 4.1Å; M52-T56 WeakPolarHBondContact O-CB 3.42Å; M52-T56 WeakPolarHBondContact O-CG2 3.24Å; M52-T56 PolarHBondContact O-N 2.9Å; M52-T56 VanDerWaalsContact O-N 3.1Å; M52-T56 PolarHBondContact O-OG1 2.93Å; M52-T56 HydrophobicContact SD-CG2 4.49Å; F53-T56 PolarHBondContact O-N 2.84Å; F53-T56 PolarHBondContact O-OG1 2.89Å; F54-T56 VanDerWaalsContact C-N 3.33Å; F54-T56 PolarHBondContact O-N 2.58Å; T56-G60 VanDerWaalsContact O-CA 3.28Å; T56-G60 WeakPolarHBondContact O-CA 3.49Å; T56-G60 PolarHBondContact O-N 3.07Å; T56-I61 WeakPolarHBondContact CA-O 3.22Å; T56-A63 HydrophobicContact CG2-CB 3.75Å; T56-V66 HydrophobicContact CG2-CG2 4.27Å
57	D	82.5	Confident	83.7	Confident	108 Å²	108	43.8 Å²	43.8	58%	0.578	26%	0.263	S	S	*	.	I	π-helix	trans	-83.6	-27.6	-172.1	-63.8	-105.8	0	0	0	114.3	F53	F53-D57 HydrophobicContact CD2-CB 3.93Å; F53-D57 WeakPolarHBondContact CD2-OD2 3.41Å; F53-D57 HydrophobicContact CE1-CB 4.43Å; F53-D57 HydrophobicContact CE2-CB 3.62Å; F53-D57 VanDerWaalsContact CE2-CG 3.45Å; F53-D57 HydrophobicContact CG-CB 4.46Å; F53-D57 HydrophobicContact CZ-CB 3.9Å; F53-D57 WeakPolarHBondContact O-CB 3.48Å; F53-D57 PolarHBondContact O-N 2.88Å
58	I	88.6	Confident	83.7	Confident	37 Å²	37	47.3 Å²	47.3	19%	0.19	29%	0.285	C	S	.	.	I	π-helix	trans	-101.7	-47.9	-176.2	-51.5	-57.9	0	0	0	111.9	F53 F54 T119 K197 P198 F201	F53-I58 HydrophobicContact CD1-CG1 4.5Å; F53-I58 HydrophobicContact CE1-CD1 4.12Å; F53-I58 HydrophobicContact CE1-CG1 4.15Å; F54-I58 HydrophobicContact CD2-CB 3.76Å; F54-I58 HydrophobicContact CD2-CG1 4.12Å; F54-I58 HydrophobicContact CD2-CG2 3.85Å; F54-I58 HydrophobicContact CE2-CB 4.07Å; F54-I58 HydrophobicContact CE2-CG2 3.69Å; F54-I58 HydrophobicContact CG-CB 4.43Å; F54-I58 CarbonylContact O-C 3.57Å; F54-I58 WeakPolarHBondContact O-CA 3.21Å; F54-I58 VanDerWaalsContact O-CB 3.29Å; F54-I58 WeakPolarHBondContact O-CB 3.2Å; F54-I58 PolarHBondContact O-N 2.91Å; F54-I58 VanDerWaalsContact O-N 3.12Å; I58-T119 HydrophobicContact CG2-CG2 4.47Å; I58-K197 HydrophobicContact CD1-CB 3.81Å; I58-P198 HydrophobicContact CG2-CB 4.06Å; I58-P198 HydrophobicContact CG2-CG 3.7Å; I58-F201 HydrophobicContact CD1-CD2 4.45Å; I58-F201 HydrophobicContact CD1-CE2 4.18Å; I58-F201 HydrophobicContact CG1-CD2 4.04Å; I58-F201 HydrophobicContact CG1-CE2 3.97Å
59	F	91.7	Very high	84.3	Confident	3 Å²	3	42.9 Å²	42.9	1%	0.013	26%	0.263	C	S	.	.	S	Bend	trans	-85.5	-26.7	-179.1	-163.3	-156.5	0	0	0	112.9	F54 Y55 I61 T119 P120 K127 Y130	F54-F59 HydrophobicContact CE1-CB 4.36Å; F54-F59 PolarHBondContact O-N 3.21Å; Y55-F59 HydrophobicContact CD1-CB 4.49Å; Y55-F59 AromaticContact CD1-CD1 3.97Å; Y55-F59 HydrophobicContact CD1-CD1 3.97Å; Y55-F59 HydrophobicContact CE1-CD1 4.35Å; F59-I61 HydrophobicContact CD1-CD1 3.45Å; F59-I61 VanDerWaalsContact CD1-CD1 3.45Å; F59-I61 HydrophobicContact CD1-CG1 3.97Å; F59-I61 HydrophobicContact CE1-CD1 3.79Å; F59-I61 HydrophobicContact CG-CD1 4.38Å; F59-I61 HydrophobicContact CG-CG1 4.46Å; F59-T119 HydrophobicContact CB-CG2 4.1Å; F59-T119 HydrophobicContact CD2-CG2 3.62Å; F59-T119 HydrophobicContact CE2-CG2 4.35Å; F59-T119 HydrophobicContact CG-CG2 4.07Å; F59-P120 HydrophobicContact CE2-CG 4.47Å; F59-P120 HydrophobicContact CZ-CG 4.09Å; F59-K127 HydrophobicContact CD2-CD 4.08Å; F59-K127 HydrophobicContact CD2-CG 4.43Å; F59-K127 HydrophobicContact CE1-CB 3.95Å; F59-K127 HydrophobicContact CE1-CG 4.31Å; F59-K127 HydrophobicContact CE2-CB 4.27Å; F59-K127 HydrophobicContact CE2-CD 3.84Å; F59-K127 HydrophobicContact CE2-CG 3.73Å; F59-K127 HydrophobicContact CZ-CB 3.79Å; F59-K127 HydrophobicContact CZ-CD 4.22Å; F59-K127 HydrophobicContact CZ-CG 3.67Å; F59-K127 PolarHBondContact O-NZ 3.41Å; F59-Y130 HydrophobicContact CE1-CD1 4.04Å; F59-Y130 HydrophobicContact CZ-CD1 4.1Å
60	G	87	Confident	84.7	Confident	34 Å²	34	40.1 Å²	40.1	35%	0.351	25%	0.247	S	C	.	.			trans	90	29.7	173.5	0	0	0	0	0	115.2	Y55 T56 M124	Y55-G60 PolarHBondContact O-N 2.91Å; T56-G60 VanDerWaalsContact O-CA 3.28Å; T56-G60 WeakPolarHBondContact O-CA 3.49Å; T56-G60 PolarHBondContact O-N 3.07Å; G60-M124 VanDerWaalsContact O-CE 3.31Å; G60-M124 WeakPolarHBondContact O-CE 3.5Å
61	I	92	Very high	84.4	Confident	5 Å²	5	44.5 Å²	44.5	3%	0.026	27%	0.272	C	S	.	.			trans	-91.5	140.8	-179.6	-60	179.4	0	0	0	110.7	Y55 T56 F59 A63 F65 V66 K127 M128 A131	Y55-I61 HydrophobicContact CD1-CD1 4.37Å; Y55-I61 WeakPolarHBondContact O-CB 3.33Å; Y55-I61 PolarHBondContact O-N 3.41Å; T56-I61 WeakPolarHBondContact CA-O 3.22Å; F59-I61 HydrophobicContact CD1-CD1 3.45Å; F59-I61 VanDerWaalsContact CD1-CD1 3.45Å; F59-I61 HydrophobicContact CD1-CG1 3.97Å; F59-I61 HydrophobicContact CE1-CD1 3.79Å; F59-I61 HydrophobicContact CG-CD1 4.38Å; F59-I61 HydrophobicContact CG-CG1 4.46Å; I61-A63 PolarHBondContact O-N 2.95Å; I61-F65 HydrophobicContact CG2-CB 4.5Å; I61-F65 HydrophobicContact CG2-CD1 3.72Å; I61-F65 HydrophobicContact CG2-CE1 4.48Å; I61-F65 HydrophobicContact CG2-CG 4.48Å; I61-V66 HydrophobicContact CB-CG2 4.01Å; I61-V66 HydrophobicContact CG2-CG2 3.61Å; I61-K127 HydrophobicContact CD1-CB 4.23Å; I61-K127 WeakPolarHBondContact CD1-O 3.41Å; I61-K127 HydrophobicContact CG1-CB 4.11Å; I61-M128 HydrophobicContact CG2-CG 3.83Å; I61-A131 HydrophobicContact CD1-CB 3.39Å
62	P	86.2	Confident	84.2	Confident	67 Å²	67	48.3 Å²	48.3	44%	0.435	30%	0.295	S	S	.	.			trans	-58.1	128.9	176.1	-25.2	34.5	0	0	0	113.7	G64 F65 V66	P62-G64 VanDerWaalsContact C-N 3.3Å; P62-G64 PolarHBondContact O-N 3.37Å; P62-F65 WeakPolarHBondContact O-CB 3.45Å; P62-F65 PolarHBondContact O-N 2.72Å; P62-V66 PolarHBondContact O-N 2.98Å
63	A	76.1	Confident	84.2	Confident	52 Å²	52	45 Å²	45	43%	0.43	28%	0.279	S	S	.	.	H	α-helix	trans	-55.3	-38.3	-177.4	0	0	0	0	0	114.2	M52 T56 I61 F65 V66 G67	M52-A63 HydrophobicContact CE-CB 3.75Å; T56-A63 HydrophobicContact CG2-CB 3.75Å; I61-A63 PolarHBondContact O-N 2.95Å; A63-F65 VanDerWaalsContact C-N 3.32Å; A63-F65 PolarHBondContact O-N 3.34Å; A63-V66 PolarHBondContact O-N 3.46Å; A63-G67 PolarHBondContact O-N 3.2Å
64	G	75.9	Confident	84	Confident	59 Å²	59	43.7 Å²	43.7	61%	0.608	27%	0.271	S	S	*	.	H	α-helix	trans	-63.7	-34.9	177.6	0	0	0	0	0	113.4	P62 T68	P62-G64 VanDerWaalsContact C-N 3.3Å; P62-G64 PolarHBondContact O-N 3.37Å; G64-T68 PolarHBondContact O-N 2.97Å; G64-T68 PolarHBondContact O-OG1 3.16Å
65	F	88.6	Confident	83.4	Confident	74 Å²	74	46.5 Å²	46.5	33%	0.325	29%	0.294	S	S	.	.	H	α-helix	trans	-68.5	-47.1	172.6	177.1	-91.1	0	0	0	110.7	I61 P62 A63 G67 T68 M69 M128 A132	I61-F65 HydrophobicContact CG2-CB 4.5Å; I61-F65 HydrophobicContact CG2-CD1 3.72Å; I61-F65 HydrophobicContact CG2-CE1 4.48Å; I61-F65 HydrophobicContact CG2-CG 4.48Å; P62-F65 WeakPolarHBondContact O-CB 3.45Å; P62-F65 PolarHBondContact O-N 2.72Å; A63-F65 VanDerWaalsContact C-N 3.32Å; A63-F65 PolarHBondContact O-N 3.34Å; F65-G67 VanDerWaalsContact C-N 3.35Å; F65-G67 PolarHBondContact O-N 3.06Å; F65-T68 PolarHBondContact O-N 3.42Å; F65-M69 HydrophobicContact CE1-CB 4.45Å; F65-M69 HydrophobicContact CE1-SD 4.11Å; F65-M69 WeakPolarHBondContact O-CB 3.34Å; F65-M69 PolarHBondContact O-N 2.86Å; F65-M128 HydrophobicContact CB-SD 4.3Å; F65-M128 HydrophobicContact CD1-CB 4.13Å; F65-M128 HydrophobicContact CD1-CG 3.81Å; F65-M128 HydrophobicContact CD1-SD 4.21Å; F65-M128 HydrophobicContact CD2-CG 4.42Å; F65-M128 HydrophobicContact CD2-SD 3.91Å; F65-M128 HydrophobicContact CE1-CB 3.64Å; F65-M128 HydrophobicContact CE1-CG 3.87Å; F65-M128 WeakPolarHBondContact CE1-O 3.38Å; F65-M128 HydrophobicContact CE2-CB 4.16Å; F65-M128 HydrophobicContact CE2-CG 4.47Å; F65-M128 HydrophobicContact CE2-SD 4.31Å; F65-M128 HydrophobicContact CG-CG 4.1Å; F65-M128 HydrophobicContact CG-SD 3.86Å; F65-M128 HydrophobicContact CZ-CB 3.66Å; F65-M128 HydrophobicContact CZ-CG 4.21Å; F65-M128 WeakPolarHBondContact CZ-O 3.47Å; F65-A132 HydrophobicContact CZ-CB 4.25Å
66	V	83.3	Confident	82.9	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-59.9	-43.2	179.4	-177.4	0	0	0	0	111.5	M52 Y55 T56 I61 P62 A63 T68 M69 F70	M52-V66 HydrophobicContact CE-CB 4.49Å; M52-V66 HydrophobicContact SD-CB 4.02Å; M52-V66 HydrophobicContact SD-CG1 3.55Å; M52-V66 VanDerWaalsContact SD-CG1 3.55Å; Y55-V66 HydrophobicContact CD2-CG1 3.89Å; Y55-V66 HydrophobicContact CG-CG1 4.49Å; T56-V66 HydrophobicContact CG2-CG2 4.27Å; I61-V66 HydrophobicContact CB-CG2 4.01Å; I61-V66 HydrophobicContact CG2-CG2 3.61Å; P62-V66 PolarHBondContact O-N 2.98Å; A63-V66 PolarHBondContact O-N 3.46Å; V66-T68 PolarHBondContact O-N 3.28Å; V66-M69 HydrophobicContact CG1-CE 4.09Å; V66-M69 WeakPolarHBondContact O-CB 3.46Å; V66-M69 PolarHBondContact O-N 2.81Å; V66-F70 HydrophobicContact CG1-CD1 4.35Å; V66-F70 HydrophobicContact CG1-CD2 4.41Å; V66-F70 HydrophobicContact CG1-CE1 3.88Å; V66-F70 HydrophobicContact CG1-CE2 3.93Å; V66-F70 HydrophobicContact CG1-CZ 3.64Å; V66-F70 WeakPolarHBondContact O-CG 3.47Å; V66-F70 PolarHBondContact O-N 3.48Å
67	G	77.1	Confident	82.6	Confident	37 Å²	37	49 Å²	49	38%	0.381	31%	0.306	S	S	.	.	H	α-helix	trans	-62.2	-42.6	176	0	0	0	0	0	113.2	A63 F65 F70 L71	A63-G67 PolarHBondContact O-N 3.2Å; F65-G67 VanDerWaalsContact C-N 3.35Å; F65-G67 PolarHBondContact O-N 3.06Å; G67-F70 PolarHBondContact O-N 2.61Å; G67-L71 PolarHBondContact O-N 3.43Å; G67-L71 VanDerWaalsContact O-N 3.13Å
68	T	81.8	Confident	82.2	Confident	87 Å²	87	44.7 Å²	44.7	53%	0.534	29%	0.285	S	S	.	.	H	α-helix	trans	-65	-42.7	175.7	-55.8	0	0	0	0	111.3	G64 F65 V66 F70 L71 V72	G64-T68 PolarHBondContact O-N 2.97Å; G64-T68 PolarHBondContact O-OG1 3.16Å; F65-T68 PolarHBondContact O-N 3.42Å; V66-T68 PolarHBondContact O-N 3.28Å; T68-F70 PolarHBondContact O-N 3.34Å; T68-L71 PolarHBondContact O-N 2.88Å; T68-V72 HydrophobicContact CG2-CG2 4.45Å; T68-V72 WeakPolarHBondContact O-CG2 3.31Å; T68-V72 PolarHBondContact O-N 3.04Å
69	M	87.9	Confident	81.7	Confident	14 Å²	14	48.4 Å²	48.4	7%	0.069	30%	0.304	C	S	.	.	H	α-helix	trans	-59.2	-44.4	176.1	178.6	-170.8	82.2	0	0	111.7	Y55 F65 V66 L71 V72 A73 A131 A132 Y135	Y55-M69 HydrophobicContact CD2-CE 3.78Å; Y55-M69 HydrophobicContact CE2-CE 3.52Å; F65-M69 HydrophobicContact CE1-CB 4.45Å; F65-M69 HydrophobicContact CE1-SD 4.11Å; F65-M69 WeakPolarHBondContact O-CB 3.34Å; F65-M69 PolarHBondContact O-N 2.86Å; V66-M69 HydrophobicContact CG1-CE 4.09Å; V66-M69 WeakPolarHBondContact O-CB 3.46Å; V66-M69 PolarHBondContact O-N 2.81Å; M69-L71 PolarHBondContact O-N 2.94Å; M69-V72 PolarHBondContact O-N 3.21Å; M69-A73 WeakPolarHBondContact O-CB 3.33Å; M69-A73 PolarHBondContact O-N 3.39Å; M69-A131 HydrophobicContact CE-CB 4.48Å; M69-A131 HydrophobicContact SD-CB 4.01Å; M69-A132 HydrophobicContact CG-CB 4.1Å; M69-A132 WeakPolarHBondContact SD-CA 3.42Å; M69-A132 HydrophobicContact SD-CB 4Å; M69-A132 PolarHBondContact SD-N 3.29Å; M69-A132 VanDerWaalsContact SD-N 3.36Å; M69-Y135 HydrophobicContact CE-CD1 4.2Å; M69-Y135 HydrophobicContact CE-CG 3.98Å
70	F	83	Confident	81.4	Confident	39 Å²	39	49.4 Å²	49.4	17%	0.171	31%	0.311	C	S	.	.	H	α-helix	trans	-61.5	-43	175.7	-72.1	-5.3	0	0	0	112.2	M51 M52 Y55 V66 G67 T68 R74 Y135	M51-F70 HydrophobicContact CB-CZ 4.12Å; M51-F70 HydrophobicContact CG-CE1 4.18Å; M51-F70 HydrophobicContact CG-CZ 3.79Å; M52-F70 HydrophobicContact CB-CE2 4.15Å; M52-F70 HydrophobicContact SD-CE2 4.06Å; Y55-F70 HydrophobicContact CD2-CE1 4.14Å; Y55-F70 HydrophobicContact CD2-CZ 4.21Å; Y55-F70 HydrophobicContact CE2-CE1 4.09Å; Y55-F70 HydrophobicContact CE2-CZ 4.48Å; V66-F70 HydrophobicContact CG1-CD1 4.35Å; V66-F70 HydrophobicContact CG1-CD2 4.41Å; V66-F70 HydrophobicContact CG1-CE1 3.88Å; V66-F70 HydrophobicContact CG1-CE2 3.93Å; V66-F70 HydrophobicContact CG1-CZ 3.64Å; V66-F70 WeakPolarHBondContact O-CG 3.47Å; V66-F70 PolarHBondContact O-N 3.48Å; G67-F70 PolarHBondContact O-N 2.61Å; T68-F70 PolarHBondContact O-N 3.34Å; F70-R74 WeakPolarHBondContact O-CB 3.32Å; F70-R74 WeakPolarHBondContact O-CG 3.44Å; F70-R74 PolarHBondContact O-N 2.94Å; F70-Y135 HydrophobicContact CB-CE1 4.43Å; F70-Y135 AromaticContact CD1-CD1 3.73Å; F70-Y135 HydrophobicContact CD1-CD1 3.73Å; F70-Y135 HydrophobicContact CD1-CD2 4.14Å; F70-Y135 AromaticContact CD1-CE1 3.29Å; F70-Y135 HydrophobicContact CD1-CE1 3.29Å; F70-Y135 AromaticContact CD1-CE2 3.72Å; F70-Y135 HydrophobicContact CD1-CE2 3.72Å; F70-Y135 HydrophobicContact CD1-CG 4.14Å; F70-Y135 AromaticContact CD1-CZ 3.27Å; F70-Y135 HydrophobicContact CE1-CD1 4.06Å; F70-Y135 AromaticContact CE1-CD2 3.64Å; F70-Y135 HydrophobicContact CE1-CD2 3.64Å; F70-Y135 AromaticContact CE1-CE1 3.82Å; F70-Y135 HydrophobicContact CE1-CE1 3.82Å; F70-Y135 AromaticContact CE1-CE2 3.34Å; F70-Y135 HydrophobicContact CE1-CE2 3.34Å; F70-Y135 AromaticContact CE1-CG 3.98Å; F70-Y135 HydrophobicContact CE1-CG 3.98Å; F70-Y135 AromaticContact CE1-CZ 3.45Å; F70-Y135 VanDerWaalsContact CE1-CZ 3.45Å; F70-Y135 HydrophobicContact CG-CE1 4.13Å; F70-Y135 HydrophobicContact CZ-CE2 4.1Å
71	L	75.8	Confident	81.3	Confident	125 Å²	125	47.8 Å²	47.8	65%	0.654	30%	0.295	S	S	*	.	H	α-helix	trans	-62.6	-47.6	178	-176.3	67.4	0	0	0	112	G67 T68 M69 R74 A75	G67-L71 PolarHBondContact O-N 3.43Å; G67-L71 VanDerWaalsContact O-N 3.13Å; T68-L71 PolarHBondContact O-N 2.88Å; M69-L71 PolarHBondContact O-N 2.94Å; L71-R74 PolarHBondContact O-N 2.89Å; L71-A75 PolarHBondContact O-N 3.42Å
72	V	82.1	Confident	80.7	Confident	80 Å²	80	49 Å²	49	49%	0.485	30%	0.303	S	S	.	.	H	α-helix	trans	-63.2	-45.1	179.8	172.3	0	0	0	0	111.1	T68 M69 R74 A75 L76	T68-V72 HydrophobicContact CG2-CG2 4.45Å; T68-V72 WeakPolarHBondContact O-CG2 3.31Å; T68-V72 PolarHBondContact O-N 3.04Å; M69-V72 PolarHBondContact O-N 3.21Å; V72-R74 VanDerWaalsContact C-N 3.31Å; V72-R74 PolarHBondContact O-N 3.25Å; V72-A75 PolarHBondContact O-N 2.83Å; V72-L76 HydrophobicContact CG1-CD1 4.37Å; V72-L76 PolarHBondContact O-N 3.45Å
73	A	83.6	Confident	80.6	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-60.9	-39.9	177	0	0	0	0	0	111.8	M69 A75 L76 D77 Y135 T139	M69-A73 WeakPolarHBondContact O-CB 3.33Å; M69-A73 PolarHBondContact O-N 3.39Å; A73-A75 PolarHBondContact O-N 2.83Å; A73-L76 PolarHBondContact O-N 3.27Å; A73-D77 VanDerWaalsContact O-CB 3.24Å; A73-D77 WeakPolarHBondContact O-CB 3.37Å; A73-D77 PolarHBondContact O-N 3.4Å; A73-Y135 HydrophobicContact CB-CD1 3.7Å; A73-Y135 HydrophobicContact CB-CE1 3.63Å; A73-T139 HydrophobicContact CB-CG2 4.36Å
74	R	75.9	Confident	81.2	Confident	64 Å²	64	47.1 Å²	47.1	24%	0.242	29%	0.286	C	S	.	.	H	α-helix	trans	-66	-35.1	176.3	-70.2	-74.1	171.9	145	-4.3	113.2	F70 L71 V72 D77 A78	F70-R74 WeakPolarHBondContact O-CB 3.32Å; F70-R74 WeakPolarHBondContact O-CG 3.44Å; F70-R74 PolarHBondContact O-N 2.94Å; L71-R74 PolarHBondContact O-N 2.89Å; V72-R74 VanDerWaalsContact C-N 3.31Å; V72-R74 PolarHBondContact O-N 3.25Å; R74-D77 PolarHBondContact O-N 3.28Å; R74-A78 PolarHBondContact O-N 3.38Å; R74-A78 VanDerWaalsContact O-N 3.07Å
75	A	75.9	Confident	81.5	Confident	59 Å²	59	44.3 Å²	44.3	49%	0.488	26%	0.257	S	S	.	.	H	α-helix	trans	-67.7	-41.9	174.7	0	0	0	0	0	112	L71 V72 A73 D77 A78 I79	L71-A75 PolarHBondContact O-N 3.42Å; V72-A75 PolarHBondContact O-N 2.83Å; A73-A75 PolarHBondContact O-N 2.83Å; A75-D77 VanDerWaalsContact C-N 3.33Å; A75-A78 PolarHBondContact O-N 3.13Å; A75-I79 PolarHBondContact O-N 3.18Å
76	L	82.6	Confident	81.1	Confident	82 Å²	82	41.4 Å²	41.4	43%	0.429	25%	0.245	S	C	.	.	H	α-helix	trans	-62.4	-43	173.6	-71.7	172.3	0	0	0	111.4	V72 A73 A78 I79 S80 T136	V72-L76 HydrophobicContact CG1-CD1 4.37Å; V72-L76 PolarHBondContact O-N 3.45Å; A73-L76 PolarHBondContact O-N 3.27Å; L76-A78 VanDerWaalsContact C-N 3.32Å; L76-A78 PolarHBondContact O-N 2.77Å; L76-I79 PolarHBondContact O-N 2.71Å; L76-S80 PolarHBondContact O-N 3.46Å; L76-S80 PolarHBondContact O-OG 3.19Å; L76-T136 HydrophobicContact CD1-CG2 3.98Å
77	D	78.4	Confident	81.2	Confident	4 Å²	4	45.8 Å²	45.8	2%	0.021	27%	0.268	C	S	.	.	H	α-helix	trans	-60.2	-41.4	179.7	-171.4	37.9	0	0	0	112.2	A73 R74 A75 I79 S80 D81 T143 K390	A73-D77 VanDerWaalsContact O-CB 3.24Å; A73-D77 WeakPolarHBondContact O-CB 3.37Å; A73-D77 PolarHBondContact O-N 3.4Å; R74-D77 PolarHBondContact O-N 3.28Å; A75-D77 VanDerWaalsContact C-N 3.33Å; D77-I79 PolarHBondContact O-N 3.41Å; D77-S80 VanDerWaalsContact CA-OG 3.29Å; D77-S80 WeakPolarHBondContact CA-OG 3.41Å; D77-S80 PolarHBondContact O-N 2.85Å; D77-S80 PolarHBondContact O-OG 2.88Å; D77-D81 PolarHBondContact O-N 3.03Å; D77-T143 PolarHBondContact OD1-OG1 2.7Å; D77-K390 IonicContact OD1-NZ 3.74Å; D77-K390 PolarHBondContact OD1-NZ 3.28Å; D77-K390 VanDerWaalsContact OD2-CE 3.29Å; D77-K390 WeakPolarHBondContact OD2-CE 3.49Å; D77-K390 IonicContact OD2-NZ 3.71Å; D77-K390 PolarHBondContact OD2-NZ 3.46Å
78	A	72.1	Confident	81.6	Confident	16 Å²	16	44 Å²	44	13%	0.132	25%	0.249	C	C	.	.	H	α-helix	trans	-59.7	-31.3	174.9	0	0	0	0	0	113.2	R74 A75 L76 P82 F387	R74-A78 PolarHBondContact O-N 3.38Å; R74-A78 VanDerWaalsContact O-N 3.07Å; A75-A78 PolarHBondContact O-N 3.13Å; L76-A78 VanDerWaalsContact C-N 3.32Å; L76-A78 PolarHBondContact O-N 2.77Å; A78-P82 WeakPolarHBondContact O-CD 3.35Å; A78-F387 HydrophobicContact CB-CD2 3.88Å; A78-F387 HydrophobicContact CB-CE2 4.05Å; A78-F387 VanDerWaalsContact O-CD2 3.31Å; A78-F387 WeakPolarHBondContact O-CD2 3.46Å
79	I	79.2	Confident	81.3	Confident	116 Å²	116	40.4 Å²	40.4	60%	0.595	23%	0.227	S	C	*	.	H	α-helix	trans	-82.3	-36.9	177.4	-61.5	169.6	0	0	0	111.1	A75 L76 D77 D81 P82	A75-I79 PolarHBondContact O-N 3.18Å; L76-I79 PolarHBondContact O-N 2.71Å; D77-I79 PolarHBondContact O-N 3.41Å; I79-D81 VanDerWaalsContact C-N 3.29Å; I79-D81 PolarHBondContact O-N 2.81Å; I79-P82 WeakPolarHBondContact O-CD 3.41Å
80	S	85.6	Confident	80.9	Confident	23 Å²	23	45.9 Å²	45.9	16%	0.161	25%	0.247	C	C	.	.	H	α-helix	trans	-68.3	-27	-178.3	52.3	0	0	0	0	113.7	L76 D77 C83 M84	L76-S80 PolarHBondContact O-N 3.46Å; L76-S80 PolarHBondContact O-OG 3.19Å; D77-S80 VanDerWaalsContact CA-OG 3.29Å; D77-S80 WeakPolarHBondContact CA-OG 3.41Å; D77-S80 PolarHBondContact O-N 2.85Å; D77-S80 PolarHBondContact O-OG 2.88Å; S80-C83 WeakPolarHBondContact O-CB 3.48Å; S80-C83 PolarHBondContact O-N 2.86Å; S80-M84 WeakPolarHBondContact O-CB 3.16Å; S80-M84 PolarHBondContact O-N 2.76Å
81	D	85	Confident	80.9	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-56.4	-60.4	-179	-81.2	9.4	0	0	0	112.6	D77 I79 C83 M84 G85 T143 I147 A383 K390	D77-D81 PolarHBondContact O-N 3.03Å; I79-D81 VanDerWaalsContact C-N 3.29Å; I79-D81 PolarHBondContact O-N 2.81Å; D81-C83 VanDerWaalsContact C-N 3.26Å; D81-C83 PolarHBondContact O-N 3.23Å; D81-M84 PolarHBondContact O-N 3.4Å; D81-M84 VanDerWaalsContact O-N 3.15Å; D81-G85 PolarHBondContact O-N 2.76Å; D81-T143 WeakPolarHBondContact OD1-CG2 3.43Å; D81-T143 PolarHBondContact OD1-OG1 2.77Å; D81-I147 HydrophobicContact CB-CD1 3.85Å; D81-I147 HydrophobicContact CB-CG1 4.35Å; D81-I147 VanDerWaalsContact CG-CD1 3.45Å; D81-A383 HydrophobicContact CB-CB 4.49Å; D81-A383 VanDerWaalsContact O-CB 3.23Å; D81-A383 WeakPolarHBondContact O-CB 3.31Å; D81-K390 IonicContact OD1-NZ 2.68Å; D81-K390 PolarHBondContact OD1-NZ 2.9Å; D81-K390 WeakPolarHBondContact OD2-CD 3.33Å; D81-K390 WeakPolarHBondContact OD2-CE 3.34Å; D81-K390 IonicContact OD2-NZ 3.37Å; D81-K390 PolarHBondContact OD2-NZ 3.48Å
82	P	79.1	Confident	81.1	Confident	30 Å²	30	48.7 Å²	48.7	20%	0.195	25%	0.251	C	S	.	.	H	α-helix	trans	-55.1	-40	177.1	-27.6	33.1	0	0	0	113.8	A78 I79 G85 L86	A78-P82 WeakPolarHBondContact O-CD 3.35Å; I79-P82 WeakPolarHBondContact O-CD 3.41Å; P82-G85 PolarHBondContact O-N 2.83Å; P82-L86 PolarHBondContact O-N 3.37Å
83	C	84.3	Confident	81.3	Confident	65 Å²	65	47 Å²	47	44%	0.439	24%	0.243	S	C	.	.	H	α-helix	trans	-62.5	-44.4	178.7	-67.9	0	0	0	0	111.4	S80 D81 L86 L87	S80-C83 WeakPolarHBondContact O-CB 3.48Å; S80-C83 PolarHBondContact O-N 2.86Å; D81-C83 VanDerWaalsContact C-N 3.26Å; D81-C83 PolarHBondContact O-N 3.23Å; C83-L86 PolarHBondContact O-N 2.89Å; C83-L87 WeakPolarHBondContact O-CB 3.14Å; C83-L87 PolarHBondContact O-N 3.25Å
84	M	88.6	Confident	81.2	Confident	16 Å²	16	57.1 Å²	57.1	8%	0.079	28%	0.281	C	S	.	.	H	α-helix	trans	-67.7	-38.5	177.8	-169.6	62	-131.8	0	0	111.8	S80 D81 L86 L87 A88 W101 T143 V144 I147 P148	S80-M84 WeakPolarHBondContact O-CB 3.16Å; S80-M84 PolarHBondContact O-N 2.76Å; D81-M84 PolarHBondContact O-N 3.4Å; D81-M84 VanDerWaalsContact O-N 3.15Å; M84-L86 PolarHBondContact O-N 3.4Å; M84-L87 HydrophobicContact CE-CB 4.34Å; M84-L87 HydrophobicContact CE-CD2 3.98Å; M84-L87 PolarHBondContact O-N 2.86Å; M84-L87 HydrophobicContact SD-CD2 4.24Å; M84-A88 HydrophobicContact CE-CB 4.42Å; M84-A88 WeakPolarHBondContact O-CB 3.48Å; M84-A88 PolarHBondContact O-N 3.41Å; M84-W101 HydrophobicContact CE-CD2 3.41Å; M84-W101 VanDerWaalsContact CE-CD2 3.41Å; M84-W101 HydrophobicContact CE-CE3 3.58Å; M84-W101 HydrophobicContact CE-CG 3.94Å; M84-W101 HydrophobicContact CE-CH2 4.02Å; M84-W101 HydrophobicContact CE-CZ2 3.87Å; M84-W101 HydrophobicContact CE-CZ3 3.87Å; M84-T143 HydrophobicContact CB-CG2 4.02Å; M84-T143 HydrophobicContact CG-CG2 4.43Å; M84-V144 HydrophobicContact SD-CB 4.47Å; M84-V144 HydrophobicContact SD-CG2 4.11Å; M84-I147 HydrophobicContact CB-CB 4.46Å; M84-I147 HydrophobicContact CB-CG2 4.46Å; M84-I147 HydrophobicContact CG-CB 4.27Å; M84-P148 HydrophobicContact CE-CG 3.96Å; M84-P148 HydrophobicContact CG-CG 4.45Å
85	G	82.8	Confident	81.7	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-58.2	-46.7	174.6	0	0	0	0	0	112.5	D81 P82 A88 D89	D81-G85 PolarHBondContact O-N 2.76Å; P82-G85 PolarHBondContact O-N 2.83Å; G85-A88 PolarHBondContact O-N 3.2Å; G85-D89 PolarHBondContact O-N 3.45Å
86	L	79.4	Confident	82.2	Confident	13 Å²	13	56.2 Å²	56.2	7%	0.068	27%	0.271	C	S	.	.	H	α-helix	trans	-62.3	-43	174.4	-82.3	161.2	0	0	0	113	P82 C83 M84 A88 D89 R90 M236 I380	P82-L86 PolarHBondContact O-N 3.37Å; C83-L86 PolarHBondContact O-N 2.89Å; M84-L86 PolarHBondContact O-N 3.4Å; L86-A88 VanDerWaalsContact C-N 3.31Å; L86-A88 PolarHBondContact O-N 3.02Å; L86-D89 PolarHBondContact O-N 3.05Å; L86-R90 WeakPolarHBondContact O-CG 3.31Å; L86-R90 PolarHBondContact O-N 3.23Å; L86-M236 HydrophobicContact CD1-CB 4.42Å; L86-M236 HydrophobicContact CD1-CE 4.2Å; L86-M236 HydrophobicContact CD1-CG 3.52Å; L86-M236 HydrophobicContact CD1-SD 3.6Å; L86-I380 HydrophobicContact CD1-CD1 3.89Å; L86-I380 HydrophobicContact CD2-CB 4.36Å; L86-I380 HydrophobicContact CD2-CD1 3.8Å; L86-I380 HydrophobicContact CG-CB 4.16Å; L86-I380 HydrophobicContact CG-CD1 3.71Å; L86-I380 HydrophobicContact CG-CG1 4.14Å
87	L	85.5	Confident	82.3	Confident	91 Å²	91	54.4 Å²	54.4	48%	0.476	26%	0.259	S	S	.	.	H	α-helix	trans	-63.6	-41.1	178.9	-157.3	95.7	0	0	0	110.9	C83 M84 R90 T91 W101	C83-L87 WeakPolarHBondContact O-CB 3.14Å; C83-L87 PolarHBondContact O-N 3.25Å; M84-L87 HydrophobicContact CE-CB 4.34Å; M84-L87 HydrophobicContact CE-CD2 3.98Å; M84-L87 PolarHBondContact O-N 2.86Å; M84-L87 HydrophobicContact SD-CD2 4.24Å; L87-R90 PolarHBondContact O-N 3.28Å; L87-T91 PolarHBondContact O-N 2.94Å; L87-T91 VanDerWaalsContact O-N 3.11Å; L87-T91 PolarHBondContact O-OG1 3.31Å; L87-W101 HydrophobicContact CD2-CH2 3.36Å; L87-W101 HydrophobicContact CD2-CZ2 3.45Å; L87-W101 VanDerWaalsContact CD2-CZ2 3.45Å; L87-W101 HydrophobicContact CD2-CZ3 4.32Å; L87-W101 HydrophobicContact CG-CZ2 4.36Å
88	A	84.7	Confident	82.9	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-65.2	-45.1	175.7	0	0	0	0	0	111.8	M84 G85 L86 R90 T91 F98 P148	M84-A88 HydrophobicContact CE-CB 4.42Å; M84-A88 WeakPolarHBondContact O-CB 3.48Å; M84-A88 PolarHBondContact O-N 3.41Å; G85-A88 PolarHBondContact O-N 3.2Å; L86-A88 VanDerWaalsContact C-N 3.31Å; L86-A88 PolarHBondContact O-N 3.02Å; A88-R90 PolarHBondContact O-N 3.26Å; A88-R90 VanDerWaalsContact O-N 3.16Å; A88-T91 VanDerWaalsContact O-CB 3.27Å; A88-T91 WeakPolarHBondContact O-CB 3.43Å; A88-T91 PolarHBondContact O-N 2.81Å; A88-F98 HydrophobicContact CB-CD1 3.75Å; A88-F98 HydrophobicContact CB-CE1 3.76Å; A88-P148 HydrophobicContact CB-CG 4.21Å
89	D	76.6	Confident	83.9	Confident	12 Å²	12	55 Å²	55	6%	0.064	26%	0.258	C	S	.	.	H	α-helix	trans	-59.6	-29.8	178.4	-82.7	-30	0	0	0	113.5	G85 L86 K97 G379 I380	G85-D89 PolarHBondContact O-N 3.45Å; L86-D89 PolarHBondContact O-N 3.05Å; D89-K97 WeakPolarHBondContact O-CD 3.36Å; D89-K97 PolarHBondContact O-NZ 2.88Å; D89-G379 WeakPolarHBondContact OD1-CA 3.48Å; D89-G379 PolarHBondContact OD1-N 3.16Å; D89-G379 WeakPolarHBondContact OD2-CA 3.39Å; D89-G379 PolarHBondContact OD2-N 3.4Å; D89-I380 PolarHBondContact OD2-N 2.8Å
90	R	79.7	Confident	84.5	Confident	129 Å²	129	50.1 Å²	50.1	49%	0.487	23%	0.233	S	C	.	.	H	α-helix	trans	-89.6	-9.3	177.3	-67.1	177.7	178.8	-161.3	-5.1	113.7	L86 L87 A88 R92 T234	L86-R90 WeakPolarHBondContact O-CG 3.31Å; L86-R90 PolarHBondContact O-N 3.23Å; L87-R90 PolarHBondContact O-N 3.28Å; A88-R90 PolarHBondContact O-N 3.26Å; A88-R90 VanDerWaalsContact O-N 3.16Å; R90-R92 PolarHBondContact O-N 2.89Å; R90-T234 PolarHBondContact NH2-O 2.85Å; R90-T234 VanDerWaalsContact NH2-O 3.09Å
91	T	83.2	Confident	84.8	Confident	26 Å²	26	52.2 Å²	52.2	16%	0.16	24%	0.238	C	C	.	.			trans	-68.5	127.8	179.1	-63.4	0	0	0	0	109.8	L87 A88 K97 W101	L87-T91 PolarHBondContact O-N 2.94Å; L87-T91 VanDerWaalsContact O-N 3.11Å; L87-T91 PolarHBondContact O-OG1 3.31Å; A88-T91 VanDerWaalsContact O-CB 3.27Å; A88-T91 WeakPolarHBondContact O-CB 3.43Å; A88-T91 PolarHBondContact O-N 2.81Å; T91-K97 WeakPolarHBondContact CB-O 3.42Å; T91-K97 WeakPolarHBondContact O-CG 3.38Å; T91-W101 PolarHBondContact OG1-NE1 3.29Å
92	R	78.2	Confident	85.1	Confident	197 Å²	197	52.3 Å²	52.3	74%	0.743	24%	0.238	S	C	*	.			trans	-117.1	118.4	172.2	-64.7	-159.8	-177.1	-133.2	3.1	109.8	R90 P231	R90-R92 PolarHBondContact O-N 2.89Å; R92-P231 VanDerWaalsContact NH2-CG 3.33Å
93	S	86.3	Confident	85.8	Confident	45 Å²	45	52.3 Å²	52.3	32%	0.315	24%	0.237	S	C	.	.			trans	-145.4	160.1	175.6	93.5	0	0	0	0	110.6	W95 G96 P100	S93-W95 PolarHBondContact O-N 2.85Å; S93-W95 VanDerWaalsContact O-N 3.14Å; S93-W95 PolarHBondContact OG-N 3.29Å; S93-G96 WeakPolarHBondContact CB-O 3.42Å; S93-G96 PolarHBondContact O-N 3.27Å; S93-G96 PolarHBondContact OG-N 3.02Å; S93-G96 PolarHBondContact OG-O 3.33Å; S93-P100 WeakPolarHBondContact OG-CG 3.45Å
94	R	83.4	Confident	86.1	Confident	212 Å²	212	55 Å²	55	80%	0.8	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-15.6	172	67.3	175.7	178.2	179.4	-3.7	114.1
95	W	86	Confident	86.3	Confident	85 Å²	85	54.4 Å²	54.4	32%	0.322	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-0.6	-178.4	-60.7	-52.8	0	0	0	113.1	S93 R99 P100 F104 F220	S93-W95 PolarHBondContact O-N 2.85Å; S93-W95 VanDerWaalsContact O-N 3.14Å; S93-W95 PolarHBondContact OG-N 3.29Å; W95-R99 WeakPolarHBondContact O-CD 3.42Å; W95-R99 PolarHBondContact O-NH1 3.09Å; W95-P100 HydrophobicContact CB-CG 4.31Å; W95-P100 HydrophobicContact CE3-CG 4.42Å; W95-F104 HydrophobicContact CE3-CE2 4.19Å; W95-F104 HydrophobicContact CH2-CE2 4.33Å; W95-F104 HydrophobicContact CH2-CZ 4.04Å; W95-F104 AromaticContact CZ3-CE2 3.58Å; W95-F104 HydrophobicContact CZ3-CE2 3.58Å; W95-F104 AromaticContact CZ3-CZ 3.74Å; W95-F104 HydrophobicContact CZ3-CZ 3.74Å; W95-F220 HydrophobicContact CB-CE2 4.18Å; W95-F220 HydrophobicContact CB-CZ 4.26Å; W95-F220 HydrophobicContact CD2-CZ 4Å; W95-F220 HydrophobicContact CG-CE2 4.28Å; W95-F220 AromaticContact CG-CZ 3.89Å; W95-F220 HydrophobicContact CG-CZ 3.89Å
96	G	85	Confident	86.7	Confident	19 Å²	19	54.5 Å²	54.5	20%	0.196	24%	0.24	C	C	.	.			trans	106.2	-175	-171.7	0	0	0	0	0	112.8	S93 E225	S93-G96 WeakPolarHBondContact CB-O 3.42Å; S93-G96 PolarHBondContact O-N 3.27Å; S93-G96 PolarHBondContact OG-N 3.02Å; S93-G96 PolarHBondContact OG-O 3.33Å; G96-E225 VanDerWaalsContact CA-CD 3.49Å; G96-E225 WeakPolarHBondContact CA-OE2 3.39Å
97	K	86.3	Confident	87.2	Confident	44 Å²	44	58.7 Å²	58.7	19%	0.191	26%	0.262	C	S	.	.	S	Bend	trans	-83.7	-39.5	-178.2	-58.9	-165.8	175.9	-169.8	0	112.3	D89 T91 E225	D89-K97 WeakPolarHBondContact O-CD 3.36Å; D89-K97 PolarHBondContact O-NZ 2.88Å; T91-K97 WeakPolarHBondContact CB-O 3.42Å; T91-K97 WeakPolarHBondContact O-CG 3.38Å; K97-E225 VanDerWaalsContact N-CD 3.34Å; K97-E225 PolarHBondContact N-OE1 2.87Å; K97-E225 PolarHBondContact N-OE2 3.03Å
98	F	90	Very high	87.6	Confident	1 Å²	1	56.6 Å²	56.6	0%	0.004	25%	0.254	C	S	.	.	S	Bend	trans	-102.8	-39	-168	-56.3	-71.4	0	0	0	113	A88 P100 W101 V102 P148 A151 L152 V155 E225 T378	A88-F98 HydrophobicContact CB-CD1 3.75Å; A88-F98 HydrophobicContact CB-CE1 3.76Å; F98-P100 VanDerWaalsContact C-CD 3.41Å; F98-W101 WeakPolarHBondContact O-CB 3.34Å; F98-W101 PolarHBondContact O-N 2.9Å; F98-W101 VanDerWaalsContact O-N 3.1Å; F98-V102 PolarHBondContact O-N 2.65Å; F98-P148 HydrophobicContact CB-CB 4.05Å; F98-P148 WeakPolarHBondContact CB-O 3.41Å; F98-P148 HydrophobicContact CD1-CB 4.07Å; F98-A151 HydrophobicContact CD1-CB 3.75Å; F98-A151 HydrophobicContact CE1-CB 3.49Å; F98-A151 VanDerWaalsContact CE1-CB 3.49Å; F98-A151 HydrophobicContact CE2-CB 4.41Å; F98-A151 HydrophobicContact CG-CB 4.34Å; F98-A151 HydrophobicContact CZ-CB 3.85Å; F98-L152 HydrophobicContact CB-CB 4.31Å; F98-L152 HydrophobicContact CB-CD1 4.2Å; F98-V155 HydrophobicContact CD2-CG2 3.59Å; F98-V155 HydrophobicContact CE2-CB 4.47Å; F98-V155 HydrophobicContact CE2-CG1 3.85Å; F98-V155 HydrophobicContact CE2-CG2 3.79Å; F98-E225 WeakPolarHBondContact CA-OE1 3.35Å; F98-E225 PolarHBondContact N-OE1 3.2Å; F98-T378 HydrophobicContact CZ-CG2 4.43Å
99	R	92.4	Very high	88	Confident	31 Å²	31	56.8 Å²	56.8	12%	0.117	26%	0.255	C	S	.	.	H	α-helix	trans	-53.6	-41	-177.1	-74	174.6	64.8	-144	11.7	114.9	W95 W101 V102 L103 L152 F220 T223 E225	W95-R99 WeakPolarHBondContact O-CD 3.42Å; W95-R99 PolarHBondContact O-NH1 3.09Å; R99-W101 VanDerWaalsContact C-N 3.27Å; R99-W101 PolarHBondContact O-N 3.26Å; R99-V102 PolarHBondContact O-N 3.22Å; R99-L103 PolarHBondContact O-N 3.29Å; R99-L152 HydrophobicContact CG-CD1 3.71Å; R99-L152 HydrophobicContact CG-CD2 4.22Å; R99-F220 HydrophobicContact CB-CD2 3.81Å; R99-F220 HydrophobicContact CB-CE2 3.86Å; R99-F220 PolarHBondContact NE-O 3.2Å; R99-F220 PolarHBondContact NH2-O 3.36Å; R99-F220 VanDerWaalsContact O-CD2 3.29Å; R99-F220 WeakPolarHBondContact O-CD2 3.33Å; R99-T223 PolarHBondContact NE-O 2.82Å; R99-T223 PolarHBondContact NH2-O 3.48Å; R99-T223 VanDerWaalsContact NH2-O 3.1Å; R99-E225 HydrophobicContact CG-CG 4.13Å; R99-E225 WeakPolarHBondContact CG-OE1 3.45Å; R99-E225 PolarHBondContact N-OE1 3.22Å
100	P	91.8	Very high	88.7	Confident	13 Å²	13	56.7 Å²	56.7	8%	0.084	26%	0.257	C	S	.	.	H	α-helix	trans	-56.2	-41.3	177.5	-25.1	33.9	0	0	0	113	S93 W95 F98 V102 L103 F104	S93-P100 WeakPolarHBondContact OG-CG 3.45Å; W95-P100 HydrophobicContact CB-CG 4.31Å; W95-P100 HydrophobicContact CE3-CG 4.42Å; F98-P100 VanDerWaalsContact C-CD 3.41Å; P100-V102 VanDerWaalsContact C-N 3.32Å; P100-V102 PolarHBondContact O-N 3.36Å; P100-L103 PolarHBondContact O-N 3.24Å; P100-F104 HydrophobicContact CB-CD2 4.11Å; P100-F104 HydrophobicContact CB-CE2 4.34Å; P100-F104 WeakPolarHBondContact O-CB 3.29Å; P100-F104 WeakPolarHBondContact O-CD2 3.2Å; P100-F104 PolarHBondContact O-N 3.36Å
101	W	92.7	Very high	89.4	Confident	68 Å²	68	55 Å²	55	26%	0.258	26%	0.257	S	S	.	.	H	α-helix	trans	-66.7	-34.7	-179.4	-63.6	103.6	0	0	0	112.6	M84 L87 T91 F98 R99 L103 G105 V144 P148	M84-W101 HydrophobicContact CE-CD2 3.41Å; M84-W101 VanDerWaalsContact CE-CD2 3.41Å; M84-W101 HydrophobicContact CE-CE3 3.58Å; M84-W101 HydrophobicContact CE-CG 3.94Å; M84-W101 HydrophobicContact CE-CH2 4.02Å; M84-W101 HydrophobicContact CE-CZ2 3.87Å; M84-W101 HydrophobicContact CE-CZ3 3.87Å; L87-W101 HydrophobicContact CD2-CH2 3.36Å; L87-W101 HydrophobicContact CD2-CZ2 3.45Å; L87-W101 VanDerWaalsContact CD2-CZ2 3.45Å; L87-W101 HydrophobicContact CD2-CZ3 4.32Å; L87-W101 HydrophobicContact CG-CZ2 4.36Å; T91-W101 PolarHBondContact OG1-NE1 3.29Å; F98-W101 WeakPolarHBondContact O-CB 3.34Å; F98-W101 PolarHBondContact O-N 2.9Å; F98-W101 VanDerWaalsContact O-N 3.1Å; R99-W101 VanDerWaalsContact C-N 3.27Å; R99-W101 PolarHBondContact O-N 3.26Å; W101-L103 VanDerWaalsContact C-N 3.34Å; W101-L103 PolarHBondContact O-N 3.31Å; W101-G105 VanDerWaalsContact O-CA 3.3Å; W101-G105 WeakPolarHBondContact O-CA 3.35Å; W101-G105 PolarHBondContact O-N 3.47Å; W101-V144 HydrophobicContact CE3-CG1 3.7Å; W101-V144 HydrophobicContact CZ3-CG1 4.1Å; W101-P148 HydrophobicContact CB-CB 3.72Å; W101-P148 HydrophobicContact CB-CG 3.57Å; W101-P148 HydrophobicContact CG-CB 4.29Å; W101-P148 HydrophobicContact CG-CG 3.92Å
102	V	91.8	Very high	89.9	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.006	25%	0.254	C	S	.	.	H	α-helix	trans	-63.1	-40.2	175.8	-178.8	0	0	0	0	111.4	F98 R99 P100 A106 L216	F98-V102 PolarHBondContact O-N 2.65Å; R99-V102 PolarHBondContact O-N 3.22Å; P100-V102 VanDerWaalsContact C-N 3.32Å; P100-V102 PolarHBondContact O-N 3.36Å; V102-A106 VanDerWaalsContact O-CB 3.32Å; V102-A106 WeakPolarHBondContact O-CB 3.42Å; V102-L216 HydrophobicContact CG1-CB 4.42Å; V102-L216 HydrophobicContact CG1-CD2 3.85Å
103	L	92.7	Very high	90.6	Very high	30 Å²	30	45.2 Å²	45.2	16%	0.157	22%	0.219	C	C	.	.	H	α-helix	trans	-82	-53.5	-179.5	-177.6	64.7	0	0	0	112.4	R99 P100 W101 A106 A217 F220	R99-L103 PolarHBondContact O-N 3.29Å; P100-L103 PolarHBondContact O-N 3.24Å; W101-L103 VanDerWaalsContact C-N 3.34Å; W101-L103 PolarHBondContact O-N 3.31Å; L103-A106 PolarHBondContact O-N 2.94Å; L103-A217 HydrophobicContact CD1-CB 4.17Å; L103-F220 HydrophobicContact CB-CB 4.26Å; L103-F220 HydrophobicContact CB-CD2 3.83Å; L103-F220 HydrophobicContact CB-CE2 4.3Å; L103-F220 HydrophobicContact CB-CG 3.95Å; L103-F220 HydrophobicContact CD2-CD1 3.86Å; L103-F220 HydrophobicContact CD2-CD2 4.32Å; L103-F220 HydrophobicContact CD2-CE1 3.83Å; L103-F220 HydrophobicContact CD2-CE2 4.28Å; L103-F220 HydrophobicContact CD2-CG 4.11Å; L103-F220 HydrophobicContact CD2-CZ 4.04Å; L103-F220 HydrophobicContact CG-CG 4.44Å
104	F	91.7	Very high	91	Very high	121 Å²	121	44.8 Å²	44.8	53%	0.531	21%	0.214	S	C	.	.	H	α-helix	trans	-77.3	-24.8	-172.9	-63.1	-64.2	0	0	0	112.8	W95 P100 P108	W95-F104 HydrophobicContact CE3-CE2 4.19Å; W95-F104 HydrophobicContact CH2-CE2 4.33Å; W95-F104 HydrophobicContact CH2-CZ 4.04Å; W95-F104 AromaticContact CZ3-CE2 3.58Å; W95-F104 HydrophobicContact CZ3-CE2 3.58Å; W95-F104 AromaticContact CZ3-CZ 3.74Å; W95-F104 HydrophobicContact CZ3-CZ 3.74Å; P100-F104 HydrophobicContact CB-CD2 4.11Å; P100-F104 HydrophobicContact CB-CE2 4.34Å; P100-F104 WeakPolarHBondContact O-CB 3.29Å; P100-F104 WeakPolarHBondContact O-CD2 3.2Å; P100-F104 PolarHBondContact O-N 3.36Å; F104-P108 WeakPolarHBondContact O-CD 3.38Å
105	G	91.8	Very high	91.5	Very high	4 Å²	4	38.1 Å²	38.1	4%	0.041	19%	0.194	C	C	.	.	H	α-helix	trans	-75.7	-26.7	171	0	0	0	0	0	113.2	W101 L107 P108 F109 V145	W101-G105 VanDerWaalsContact O-CA 3.3Å; W101-G105 WeakPolarHBondContact O-CA 3.35Å; W101-G105 PolarHBondContact O-N 3.47Å; G105-L107 PolarHBondContact O-N 3.02Å; G105-P108 VanDerWaalsContact O-CD 3.3Å; G105-P108 WeakPolarHBondContact O-CD 3.32Å; G105-P108 WeakPolarHBondContact O-CG 3.32Å; G105-F109 WeakPolarHBondContact O-CB 3.29Å; G105-F109 PolarHBondContact O-N 2.88Å; G105-F109 VanDerWaalsContact O-N 3.12Å; G105-V145 WeakPolarHBondContact O-CG2 3.47Å
106	A	91.4	Very high	91.9	Very high	3 Å²	3	34.1 Å²	34.1	3%	0.025	18%	0.179	C	C	.	.	H	α-helix	trans	-64.7	-39.8	-175.5	0	0	0	0	0	113.4	V102 L103 F109 G110 F213 L216	V102-A106 VanDerWaalsContact O-CB 3.32Å; V102-A106 WeakPolarHBondContact O-CB 3.42Å; L103-A106 PolarHBondContact O-N 2.94Å; A106-F109 PolarHBondContact O-N 3.04Å; A106-G110 PolarHBondContact O-N 3.33Å; A106-F213 HydrophobicContact CB-CD2 3.76Å; A106-F213 HydrophobicContact CB-CE2 4.11Å; A106-L216 HydrophobicContact CB-CB 4.02Å; A106-L216 HydrophobicContact CB-CD1 3.59Å; A106-L216 HydrophobicContact CB-CG 4.43Å
107	L	91	Very high	92.3	Very high	100 Å²	100	33.2 Å²	33.2	52%	0.524	17%	0.169	S	C	.	.	H	α-helix	trans	-64.3	-55.2	-179.1	-177	65	0	0	0	112.9	G105 F109 G110 I111 F213	G105-L107 PolarHBondContact O-N 3.02Å; L107-F109 VanDerWaalsContact C-N 3.25Å; L107-F109 PolarHBondContact O-N 2.69Å; L107-G110 PolarHBondContact O-N 3.47Å; L107-I111 HydrophobicContact CD1-CD1 4.18Å; L107-I111 HydrophobicContact CG-CD1 4.06Å; L107-I111 WeakPolarHBondContact O-CG1 3.48Å; L107-I111 PolarHBondContact O-N 2.7Å; L107-F213 HydrophobicContact CB-CD2 4.47Å; L107-F213 HydrophobicContact CB-CE2 3.98Å; L107-F213 HydrophobicContact CD1-CE2 4.42Å
108	P	94.1	Very high	92.6	Very high	48 Å²	48	31.6 Å²	31.6	31%	0.312	16%	0.164	S	C	.	.	H	α-helix	trans	-62.3	-35.4	176.3	23.6	-32.1	0	0	0	111.6	F104 G105 I111 V112 L141	F104-P108 WeakPolarHBondContact O-CD 3.38Å; G105-P108 VanDerWaalsContact O-CD 3.3Å; G105-P108 WeakPolarHBondContact O-CD 3.32Å; G105-P108 WeakPolarHBondContact O-CG 3.32Å; P108-I111 PolarHBondContact O-N 2.74Å; P108-V112 WeakPolarHBondContact O-CB 3.35Å; P108-V112 WeakPolarHBondContact O-CG2 3.39Å; P108-V112 PolarHBondContact O-N 2.71Å; P108-L141 HydrophobicContact CB-CD1 4.22Å; P108-L141 HydrophobicContact CB-CD2 4.1Å; P108-L141 HydrophobicContact CG-CD2 4.16Å
109	F	92.5	Very high	92.7	Very high	3 Å²	3	34 Å²	34	1%	0.013	18%	0.178	C	C	.	.	H	α-helix	trans	-59.7	-48.3	175.9	177.7	-128.6	0	0	0	112.3	I43 G105 A106 L107 V112 C113 L138 L141 Y142 V145	I43-F109 HydrophobicContact CB-CE1 4.31Å; I43-F109 HydrophobicContact CB-CZ 3.97Å; I43-F109 HydrophobicContact CD1-CD1 3.99Å; I43-F109 HydrophobicContact CD1-CE1 3.33Å; I43-F109 HydrophobicContact CD1-CZ 3.72Å; I43-F109 HydrophobicContact CG1-CE1 4.39Å; I43-F109 HydrophobicContact CG1-CZ 4.44Å; I43-F109 HydrophobicContact CG2-CE1 4.34Å; I43-F109 HydrophobicContact CG2-CE2 4.23Å; I43-F109 HydrophobicContact CG2-CZ 3.58Å; G105-F109 WeakPolarHBondContact O-CB 3.29Å; G105-F109 PolarHBondContact O-N 2.88Å; G105-F109 VanDerWaalsContact O-N 3.12Å; A106-F109 PolarHBondContact O-N 3.04Å; L107-F109 VanDerWaalsContact C-N 3.25Å; L107-F109 PolarHBondContact O-N 2.69Å; F109-V112 PolarHBondContact O-N 2.91Å; F109-C113 WeakPolarHBondContact O-CB 3.49Å; F109-C113 PolarHBondContact O-N 2.81Å; F109-L138 HydrophobicContact CD2-CD1 3.86Å; F109-L138 HydrophobicContact CE2-CD1 3.47Å; F109-L138 VanDerWaalsContact CE2-CD1 3.47Å; F109-L138 HydrophobicContact CE2-CG 4.38Å; F109-L138 HydrophobicContact CZ-CD1 4.44Å; F109-L141 HydrophobicContact CB-CB 4.11Å; F109-L141 HydrophobicContact CD2-CB 3.95Å; F109-L141 HydrophobicContact CG-CB 4.48Å; F109-Y142 HydrophobicContact CE1-CD2 4.34Å; F109-Y142 HydrophobicContact CE2-CD2 4.11Å; F109-Y142 HydrophobicContact CE2-CG 4.46Å; F109-Y142 AromaticContact CZ-CD2 3.64Å; F109-Y142 HydrophobicContact CZ-CD2 3.64Å; F109-Y142 HydrophobicContact CZ-CG 4.41Å; F109-V145 HydrophobicContact CB-CG2 4.24Å
110	G	91.3	Very high	92.6	Very high	11 Å²	11	34.4 Å²	34.4	11%	0.113	19%	0.185	C	C	.	.	H	α-helix	trans	-63.3	-41.3	176.5	0	0	0	0	0	113.2	A106 L107 C113 V114	A106-G110 PolarHBondContact O-N 3.33Å; L107-G110 PolarHBondContact O-N 3.47Å; G110-C113 WeakPolarHBondContact O-CB 3.45Å; G110-C113 PolarHBondContact O-N 2.82Å; G110-V114 PolarHBondContact O-N 2.88Å
111	I	94	Very high	92.5	Very high	93 Å²	93	41.5 Å²	41.5	48%	0.477	22%	0.223	S	C	.	.	H	α-helix	trans	-62.6	-48.2	177.5	-67.7	167.1	0	0	0	110.8	L107 P108 C113 V114 L115	L107-I111 HydrophobicContact CD1-CD1 4.18Å; L107-I111 HydrophobicContact CG-CD1 4.06Å; L107-I111 WeakPolarHBondContact O-CG1 3.48Å; L107-I111 PolarHBondContact O-N 2.7Å; P108-I111 PolarHBondContact O-N 2.74Å; I111-C113 VanDerWaalsContact C-N 3.26Å; I111-C113 PolarHBondContact O-N 3.3Å; I111-V114 PolarHBondContact O-N 2.81Å; I111-V114 VanDerWaalsContact O-N 3.16Å; I111-L115 HydrophobicContact CG2-CD1 4.33Å; I111-L115 WeakPolarHBondContact O-CG 3.45Å; I111-L115 PolarHBondContact O-N 3.1Å
112	V	94.9	Very high	92.4	Very high	18 Å²	18	41.9 Å²	41.9	11%	0.109	23%	0.229	C	C	.	.	H	α-helix	trans	-66.8	-30.5	-179.7	173.2	0	0	0	0	111.6	P108 F109 V114 L115 A116 T134 L137 L138 L141	P108-V112 WeakPolarHBondContact O-CB 3.35Å; P108-V112 WeakPolarHBondContact O-CG2 3.39Å; P108-V112 PolarHBondContact O-N 2.71Å; F109-V112 PolarHBondContact O-N 2.91Å; V112-V114 VanDerWaalsContact C-N 3.33Å; V112-V114 PolarHBondContact O-N 3.04Å; V112-L115 PolarHBondContact O-N 2.71Å; V112-A116 WeakPolarHBondContact O-CB 3.35Å; V112-A116 PolarHBondContact O-N 2.89Å; V112-T134 WeakPolarHBondContact CG1-O 3.32Å; V112-L137 HydrophobicContact CG1-CB 3.84Å; V112-L138 HydrophobicContact CG1-CB 4.03Å; V112-L141 HydrophobicContact CB-CD1 3.83Å; V112-L141 HydrophobicContact CG1-CD1 4.31Å; V112-L141 HydrophobicContact CG2-CD1 3.5Å
113	C	92.7	Very high	92.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.3	-43.1	172.3	-165	0	0	0	0	111.9	F109 G110 I111 A116 Y117 L138 I205	F109-C113 WeakPolarHBondContact O-CB 3.49Å; F109-C113 PolarHBondContact O-N 2.81Å; G110-C113 WeakPolarHBondContact O-CB 3.45Å; G110-C113 PolarHBondContact O-N 2.82Å; I111-C113 VanDerWaalsContact C-N 3.26Å; I111-C113 PolarHBondContact O-N 3.3Å; C113-A116 PolarHBondContact O-N 3.32Å; C113-Y117 PolarHBondContact O-N 3.09Å; C113-L138 HydrophobicContact CB-CD1 3.81Å; C113-I205 VanDerWaalsContact SG-CG1 3.58Å
114	V	93.6	Very high	92.5	Very high	35 Å²	35	48.8 Å²	48.8	21%	0.212	27%	0.271	C	S	.	.	H	α-helix	trans	-66.7	-39.7	174.2	-179.4	0	0	0	0	111.6	G110 I111 V112 A116 Y117 S118 Q202 I205 A206	G110-V114 PolarHBondContact O-N 2.88Å; I111-V114 PolarHBondContact O-N 2.81Å; I111-V114 VanDerWaalsContact O-N 3.16Å; V112-V114 VanDerWaalsContact C-N 3.33Å; V112-V114 PolarHBondContact O-N 3.04Å; V114-A116 VanDerWaalsContact C-N 3.33Å; V114-A116 PolarHBondContact O-N 3.45Å; V114-Y117 CarbonylContact O-C 3.44Å; V114-Y117 PolarHBondContact O-N 3.37Å; V114-S118 PolarHBondContact O-N 3.1Å; V114-S118 PolarHBondContact O-OG 3.33Å; V114-Q202 HydrophobicContact CG1-CG 4.05Å; V114-I205 HydrophobicContact CG2-CG2 4.39Å; V114-A206 HydrophobicContact CG1-CB 4.45Å; V114-A206 HydrophobicContact CG2-CB 3.9Å
115	L	94.7	Very high	92.4	Very high	73 Å²	73	48.3 Å²	48.3	38%	0.382	27%	0.274	S	S	.	.	H	α-helix	trans	-61.8	-39.5	175.2	-66.8	177.7	0	0	0	112.2	I111 V112 Y117 S118 Y130 T134	I111-L115 HydrophobicContact CG2-CD1 4.33Å; I111-L115 WeakPolarHBondContact O-CG 3.45Å; I111-L115 PolarHBondContact O-N 3.1Å; V112-L115 PolarHBondContact O-N 2.71Å; L115-Y117 PolarHBondContact O-N 3.48Å; L115-S118 VanDerWaalsContact O-CB 3.31Å; L115-S118 WeakPolarHBondContact O-CB 3.47Å; L115-S118 PolarHBondContact O-N 3.04Å; L115-Y130 WeakPolarHBondContact O-CE1 3.37Å; L115-Y130 PolarHBondContact O-OH 3Å; L115-Y130 VanDerWaalsContact O-OH 3.13Å; L115-T134 HydrophobicContact CB-CG2 4.16Å
116	A	93.6	Very high	92.4	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.8	-28.5	177.4	0	0	0	0	0	112.6	M51 F54 Y55 V112 C113 V114 L138	M51-A116 HydrophobicContact CE-CB 3.93Å; F54-A116 WeakPolarHBondContact CE1-O 3.46Å; Y55-A116 VanDerWaalsContact CE1-O 3.24Å; Y55-A116 WeakPolarHBondContact CE1-O 3.49Å; Y55-A116 PolarHBondContact OH-O 3.38Å; V112-A116 WeakPolarHBondContact O-CB 3.35Å; V112-A116 PolarHBondContact O-N 2.89Å; C113-A116 PolarHBondContact O-N 3.32Å; V114-A116 VanDerWaalsContact C-N 3.33Å; V114-A116 PolarHBondContact O-N 3.45Å; A116-L138 HydrophobicContact CB-CD2 4.16Å
117	Y	92.9	Very high	92.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	14.3	173.8	-82.2	-82.4	0	0	0	114	N46 M51 F54 C113 V114 L115 M185 F201 I205	N46-Y117 PolarHBondContact OD1-OH 3.33Å; M51-Y117 HydrophobicContact CE-CD2 3.74Å; M51-Y117 HydrophobicContact CE-CE2 3.29Å; M51-Y117 HydrophobicContact SD-CD2 4.42Å; M51-Y117 HydrophobicContact SD-CE1 4.36Å; M51-Y117 HydrophobicContact SD-CE2 4.09Å; F54-Y117 HydrophobicContact CB-CD1 4.08Å; F54-Y117 HydrophobicContact CB-CE1 3.73Å; F54-Y117 AromaticContact CD1-CD1 3.81Å; F54-Y117 HydrophobicContact CD1-CD1 3.81Å; F54-Y117 HydrophobicContact CD1-CE1 4.22Å; F54-Y117 AromaticContact CD2-CD1 3.64Å; F54-Y117 HydrophobicContact CD2-CD1 3.64Å; F54-Y117 HydrophobicContact CD2-CE1 4.11Å; F54-Y117 VanDerWaalsContact CE1-CA 3.5Å; F54-Y117 HydrophobicContact CE1-CD1 4.18Å; F54-Y117 HydrophobicContact CE2-CD1 4Å; F54-Y117 AromaticContact CG-CD1 3.53Å; F54-Y117 HydrophobicContact CG-CD1 3.53Å; F54-Y117 AromaticContact CG-CE1 3.74Å; F54-Y117 HydrophobicContact CG-CE1 3.74Å; F54-Y117 HydrophobicContact CZ-CD1 4.26Å; F54-Y117 WeakPolarHBondContact CZ-O 3.46Å; C113-Y117 PolarHBondContact O-N 3.09Å; V114-Y117 CarbonylContact O-C 3.44Å; V114-Y117 PolarHBondContact O-N 3.37Å; L115-Y117 PolarHBondContact O-N 3.48Å; Y117-M185 HydrophobicContact CE1-CE 4.03Å; Y117-F201 HydrophobicContact CD1-CB 4.1Å; Y117-F201 HydrophobicContact CD1-CD1 4.29Å; Y117-F201 HydrophobicContact CE1-CD1 4.01Å; Y117-I205 HydrophobicContact CD2-CB 3.96Å; Y117-I205 HydrophobicContact CD2-CD1 4.49Å; Y117-I205 HydrophobicContact CD2-CG1 3.74Å; Y117-I205 HydrophobicContact CD2-CG2 3.78Å; Y117-I205 HydrophobicContact CE2-CB 4.36Å; Y117-I205 HydrophobicContact CE2-CD1 4.13Å; Y117-I205 HydrophobicContact CE2-CG1 3.88Å; Y117-I205 HydrophobicContact CG-CB 4.28Å; Y117-I205 HydrophobicContact CG-CG2 3.85Å
118	S	92.9	Very high	92.7	Very high	10 Å²	10	47.9 Å²	47.9	7%	0.07	27%	0.272	C	S	.	.			trans	-94.3	141.9	175.9	-60	0	0	0	0	110.5	V114 L115 P120 Q202	V114-S118 PolarHBondContact O-N 3.1Å; V114-S118 PolarHBondContact O-OG 3.33Å; L115-S118 VanDerWaalsContact O-CB 3.31Å; L115-S118 WeakPolarHBondContact O-CB 3.47Å; L115-S118 PolarHBondContact O-N 3.04Å; S118-P120 WeakPolarHBondContact O-CD 3.26Å; S118-Q202 PolarHBondContact OG-NE2 3.01Å
119	T	91.8	Very high	92.6	Very high	51 Å²	51	50.5 Å²	50.5	31%	0.313	28%	0.283	S	S	.	.			trans	-111	71.9	178.9	58	0	0	0	0	111.3	F54 I58 F59 P198	F54-T119 HydrophobicContact CE1-CG2 4.43Å; F54-T119 HydrophobicContact CE2-CG2 4.06Å; F54-T119 HydrophobicContact CZ-CG2 3.54Å; I58-T119 HydrophobicContact CG2-CG2 4.47Å; F59-T119 HydrophobicContact CB-CG2 4.1Å; F59-T119 HydrophobicContact CD2-CG2 3.62Å; F59-T119 HydrophobicContact CE2-CG2 4.35Å; F59-T119 HydrophobicContact CG-CG2 4.07Å; T119-P198 HydrophobicContact CG2-CB 4.06Å
120	P	91	Very high	92.8	Very high	41 Å²	41	52.9 Å²	52.9	27%	0.266	29%	0.292	S	S	.	.			trans	-62.8	141	175.5	28.6	-35.3	0	0	0	110.3	F59 S118 L122 Y130	F59-P120 HydrophobicContact CE2-CG 4.47Å; F59-P120 HydrophobicContact CZ-CG 4.09Å; S118-P120 WeakPolarHBondContact O-CD 3.26Å; P120-L122 HydrophobicContact CB-CD1 4.21Å; P120-L122 HydrophobicContact CB-CG 4.19Å; P120-L122 HydrophobicContact CG-CD1 3.84Å; P120-L122 HydrophobicContact CG-CG 4.28Å; P120-L122 PolarHBondContact O-N 2.93Å; P120-Y130 HydrophobicContact CG-CD1 3.82Å; P120-Y130 HydrophobicContact CG-CD2 4.07Å; P120-Y130 HydrophobicContact CG-CE1 3.75Å; P120-Y130 HydrophobicContact CG-CE2 4Å; P120-Y130 HydrophobicContact CG-CG 3.98Å
121	D	89	Confident	92.9	Very high	162 Å²	162	52.3 Å²	52.3	87%	0.866	29%	0.286	S	S	*	.			trans	-75	99.9	179.2	-168	18.3	0	0	0	110.2
122	L	91.9	Very high	92.8	Very high	75 Å²	75	49.2 Å²	49.2	39%	0.393	27%	0.274	S	S	.	.			trans	-135.4	159.3	-174.6	-64.4	175.3	0	0	0	110.1	P120 K127 Y130	P120-L122 HydrophobicContact CB-CD1 4.21Å; P120-L122 HydrophobicContact CB-CG 4.19Å; P120-L122 HydrophobicContact CG-CD1 3.84Å; P120-L122 HydrophobicContact CG-CG 4.28Å; P120-L122 PolarHBondContact O-N 2.93Å; L122-K127 HydrophobicContact CB-CG 4.1Å; L122-K127 WeakPolarHBondContact O-CE 3.27Å; L122-Y130 HydrophobicContact CD1-CG 4.39Å
123	S	93	Very high	92.7	Very high	84 Å²	84	52.8 Å²	52.8	59%	0.587	29%	0.292	S	S	*	.			trans	-58.4	159	167.6	69.7	0	0	0	0	111.1	N125 G126 K127	S123-N125 VanDerWaalsContact C-N 3.27Å; S123-N125 PolarHBondContact O-N 3.23Å; S123-G126 CarbonylContact O-C 3.49Å; S123-G126 VanDerWaalsContact O-CA 3.3Å; S123-G126 WeakPolarHBondContact O-CA 3.12Å; S123-G126 PolarHBondContact O-N 3.3Å; S123-G126 PolarHBondContact OG-N 3.2Å; S123-K127 PolarHBondContact O-N 3.04Å
124	M	91.9	Very high	92.8	Very high	92 Å²	92	53.1 Å²	53.1	45%	0.453	29%	0.294	S	S	.	.	H	α-helix	trans	-53	-43.4	-179.7	-175	60.7	75	0	0	112.7	G60 G126 K127 M128	G60-M124 VanDerWaalsContact O-CE 3.31Å; G60-M124 WeakPolarHBondContact O-CE 3.5Å; M124-G126 VanDerWaalsContact C-N 3.34Å; M124-G126 PolarHBondContact O-N 2.9Å; M124-K127 PolarHBondContact O-N 3.15Å; M124-M128 HydrophobicContact CG-CE 4.21Å; M124-M128 WeakPolarHBondContact O-CG 3.44Å; M124-M128 PolarHBondContact O-N 3.37Å
125	N	90	Very high	92.8	Very high	111 Å²	111	51.8 Å²	51.8	59%	0.594	29%	0.285	S	S	*	.	H	α-helix	trans	-63.4	-40	174	-71.4	-11.5	0	0	0	111.9	S123 M128 I129	S123-N125 VanDerWaalsContact C-N 3.27Å; S123-N125 PolarHBondContact O-N 3.23Å; N125-M128 HydrophobicContact CB-CE 4.48Å; N125-M128 PolarHBondContact O-N 3.07Å; N125-M128 WeakPolarHBondContact OD1-CE 3.45Å; N125-I129 VanDerWaalsContact O-CG1 3.28Å; N125-I129 WeakPolarHBondContact O-CG1 3.44Å; N125-I129 PolarHBondContact O-N 3.48Å
126	G	92.4	Very high	92.6	Very high	19 Å²	19	49.8 Å²	49.8	20%	0.196	28%	0.276	C	S	.	.	H	α-helix	trans	-62.5	-42.4	174.3	0	0	0	0	0	113	S123 M124 I129 Y130	S123-G126 CarbonylContact O-C 3.49Å; S123-G126 VanDerWaalsContact O-CA 3.3Å; S123-G126 WeakPolarHBondContact O-CA 3.12Å; S123-G126 PolarHBondContact O-N 3.3Å; S123-G126 PolarHBondContact OG-N 3.2Å; M124-G126 VanDerWaalsContact C-N 3.34Å; M124-G126 PolarHBondContact O-N 2.9Å; G126-I129 PolarHBondContact O-N 3.35Å; G126-Y130 VanDerWaalsContact O-CB 3.24Å; G126-Y130 WeakPolarHBondContact O-CB 3.41Å; G126-Y130 PolarHBondContact O-N 3.06Å
127	K	93.8	Very high	92.5	Very high	47 Å²	47	53.5 Å²	53.5	20%	0.204	30%	0.296	C	S	.	.	H	α-helix	trans	-61.6	-46.4	174.8	-65.7	-173.9	174.7	-172.1	0	111.9	F59 I61 L122 S123 M124 Y130 A131	F59-K127 HydrophobicContact CD2-CD 4.08Å; F59-K127 HydrophobicContact CD2-CG 4.43Å; F59-K127 HydrophobicContact CE1-CB 3.95Å; F59-K127 HydrophobicContact CE1-CG 4.31Å; F59-K127 HydrophobicContact CE2-CB 4.27Å; F59-K127 HydrophobicContact CE2-CD 3.84Å; F59-K127 HydrophobicContact CE2-CG 3.73Å; F59-K127 HydrophobicContact CZ-CB 3.79Å; F59-K127 HydrophobicContact CZ-CD 4.22Å; F59-K127 HydrophobicContact CZ-CG 3.67Å; F59-K127 PolarHBondContact O-NZ 3.41Å; I61-K127 HydrophobicContact CD1-CB 4.23Å; I61-K127 WeakPolarHBondContact CD1-O 3.41Å; I61-K127 HydrophobicContact CG1-CB 4.11Å; L122-K127 HydrophobicContact CB-CG 4.1Å; L122-K127 WeakPolarHBondContact O-CE 3.27Å; S123-K127 PolarHBondContact O-N 3.04Å; M124-K127 PolarHBondContact O-N 3.15Å; K127-Y130 PolarHBondContact O-N 3.46Å; K127-A131 WeakPolarHBondContact O-CB 3.4Å; K127-A131 PolarHBondContact O-N 3.06Å
128	M	94	Very high	92.5	Very high	32 Å²	32	53.9 Å²	53.9	16%	0.158	30%	0.298	C	S	.	.	H	α-helix	trans	-60	-47	177.2	-76.6	-172.3	-61	0	0	112.2	I61 F65 M124 N125 A132	I61-M128 HydrophobicContact CG2-CG 3.83Å; F65-M128 HydrophobicContact CB-SD 4.3Å; F65-M128 HydrophobicContact CD1-CB 4.13Å; F65-M128 HydrophobicContact CD1-CG 3.81Å; F65-M128 HydrophobicContact CD1-SD 4.21Å; F65-M128 HydrophobicContact CD2-CG 4.42Å; F65-M128 HydrophobicContact CD2-SD 3.91Å; F65-M128 HydrophobicContact CE1-CB 3.64Å; F65-M128 HydrophobicContact CE1-CG 3.87Å; F65-M128 WeakPolarHBondContact CE1-O 3.38Å; F65-M128 HydrophobicContact CE2-CB 4.16Å; F65-M128 HydrophobicContact CE2-CG 4.47Å; F65-M128 HydrophobicContact CE2-SD 4.31Å; F65-M128 HydrophobicContact CG-CG 4.1Å; F65-M128 HydrophobicContact CG-SD 3.86Å; F65-M128 HydrophobicContact CZ-CB 3.66Å; F65-M128 HydrophobicContact CZ-CG 4.21Å; F65-M128 WeakPolarHBondContact CZ-O 3.47Å; M124-M128 HydrophobicContact CG-CE 4.21Å; M124-M128 WeakPolarHBondContact O-CG 3.44Å; M124-M128 PolarHBondContact O-N 3.37Å; N125-M128 HydrophobicContact CB-CE 4.48Å; N125-M128 PolarHBondContact O-N 3.07Å; N125-M128 WeakPolarHBondContact OD1-CE 3.45Å; M128-A132 WeakPolarHBondContact O-CB 3.46Å; M128-A132 PolarHBondContact O-N 2.91Å
129	I	93.2	Very high	92.3	Very high	103 Å²	103	53.9 Å²	53.9	53%	0.528	30%	0.297	S	S	.	.	H	α-helix	trans	-64.3	-44.2	177.1	-68.5	167.3	0	0	0	110.6	N125 G126 A132 I133	N125-I129 VanDerWaalsContact O-CG1 3.28Å; N125-I129 WeakPolarHBondContact O-CG1 3.44Å; N125-I129 PolarHBondContact O-N 3.48Å; G126-I129 PolarHBondContact O-N 3.35Å; I129-A132 PolarHBondContact O-N 3.02Å; I129-I133 HydrophobicContact CG2-CD1 3.67Å; I129-I133 HydrophobicContact CG2-CG1 4.4Å; I129-I133 VanDerWaalsContact O-CG1 3.32Å; I129-I133 WeakPolarHBondContact O-CG1 3.42Å; I129-I133 PolarHBondContact O-N 3.15Å
130	Y	95.5	Very high	92.2	Very high	53 Å²	53	54.4 Å²	54.4	21%	0.208	30%	0.298	C	S	.	.	H	α-helix	trans	-60.6	-46.6	178.6	-177.7	-94.4	0	0	0	112.1	F59 L115 P120 L122 G126 K127 I133 T134	F59-Y130 HydrophobicContact CE1-CD1 4.04Å; F59-Y130 HydrophobicContact CZ-CD1 4.1Å; L115-Y130 WeakPolarHBondContact O-CE1 3.37Å; L115-Y130 PolarHBondContact O-OH 3Å; L115-Y130 VanDerWaalsContact O-OH 3.13Å; P120-Y130 HydrophobicContact CG-CD1 3.82Å; P120-Y130 HydrophobicContact CG-CD2 4.07Å; P120-Y130 HydrophobicContact CG-CE1 3.75Å; P120-Y130 HydrophobicContact CG-CE2 4Å; P120-Y130 HydrophobicContact CG-CG 3.98Å; L122-Y130 HydrophobicContact CD1-CG 4.39Å; G126-Y130 VanDerWaalsContact O-CB 3.24Å; G126-Y130 WeakPolarHBondContact O-CB 3.41Å; G126-Y130 PolarHBondContact O-N 3.06Å; K127-Y130 PolarHBondContact O-N 3.46Å; Y130-I133 PolarHBondContact O-N 3.16Å; Y130-T134 HydrophobicContact CD1-CG2 4.19Å; Y130-T134 HydrophobicContact CD2-CG2 4.3Å; Y130-T134 HydrophobicContact CE1-CG2 3.78Å; Y130-T134 HydrophobicContact CE2-CG2 3.9Å; Y130-T134 HydrophobicContact CG-CG2 4.43Å; Y130-T134 WeakPolarHBondContact O-CB 3.33Å; Y130-T134 WeakPolarHBondContact O-CG2 3.34Å; Y130-T134 PolarHBondContact O-N 3.29Å; Y130-T134 PolarHBondContact O-OG1 3.16Å
131	A	93.7	Very high	92.3	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.7	-43.5	176.7	0	0	0	0	0	111.7	Y55 I61 M69 K127 I133 T134 Y135	Y55-A131 HydrophobicContact CD1-CB 4.13Å; Y55-A131 HydrophobicContact CE1-CB 3.8Å; Y55-A131 HydrophobicContact CE2-CB 4.39Å; I61-A131 HydrophobicContact CD1-CB 3.39Å; M69-A131 HydrophobicContact CE-CB 4.48Å; M69-A131 HydrophobicContact SD-CB 4.01Å; K127-A131 WeakPolarHBondContact O-CB 3.4Å; K127-A131 PolarHBondContact O-N 3.06Å; A131-I133 PolarHBondContact O-N 3.4Å; A131-T134 PolarHBondContact O-OG1 3.35Å; A131-Y135 WeakPolarHBondContact O-CB 3.27Å; A131-Y135 PolarHBondContact O-N 3.27Å
132	A	92	Very high	92.4	Very high	27 Å²	27	47.6 Å²	47.6	22%	0.223	26%	0.257	C	S	.	.	H	α-helix	trans	-60.9	-43.6	177.6	0	0	0	0	0	112.3	F65 M69 M128 I129 T136	F65-A132 HydrophobicContact CZ-CB 4.25Å; M69-A132 HydrophobicContact CG-CB 4.1Å; M69-A132 WeakPolarHBondContact SD-CA 3.42Å; M69-A132 HydrophobicContact SD-CB 4Å; M69-A132 PolarHBondContact SD-N 3.29Å; M69-A132 VanDerWaalsContact SD-N 3.36Å; M128-A132 WeakPolarHBondContact O-CB 3.46Å; M128-A132 PolarHBondContact O-N 2.91Å; I129-A132 PolarHBondContact O-N 3.02Å; A132-T136 WeakPolarHBondContact O-CB 3.39Å; A132-T136 PolarHBondContact O-N 3.09Å; A132-T136 VanDerWaalsContact O-N 3.07Å; A132-T136 PolarHBondContact O-OG1 3.05Å
133	I	93.8	Very high	92.3	Very high	94 Å²	94	44.2 Å²	44.2	48%	0.482	24%	0.239	S	C	.	.	H	α-helix	trans	-68.2	-52.9	178.9	-68.5	170.4	0	0	0	110.8	I129 Y130 A131 Y135 T136 L137	I129-I133 HydrophobicContact CG2-CD1 3.67Å; I129-I133 HydrophobicContact CG2-CG1 4.4Å; I129-I133 VanDerWaalsContact O-CG1 3.32Å; I129-I133 WeakPolarHBondContact O-CG1 3.42Å; I129-I133 PolarHBondContact O-N 3.15Å; Y130-I133 PolarHBondContact O-N 3.16Å; A131-I133 PolarHBondContact O-N 3.4Å; I133-Y135 PolarHBondContact O-N 2.76Å; I133-T136 PolarHBondContact O-N 3Å; I133-L137 HydrophobicContact CG2-CD1 3.75Å; I133-L137 HydrophobicContact CG2-CG 4.44Å; I133-L137 WeakPolarHBondContact O-CB 3.21Å; I133-L137 WeakPolarHBondContact O-CG 3.26Å; I133-L137 PolarHBondContact O-N 3.17Å
134	T	94.8	Very high	92.2	Very high	7 Å²	7	41.8 Å²	41.8	4%	0.043	22%	0.221	C	C	.	.	H	α-helix	trans	-65.7	-40.8	-175.4	51.8	0	0	0	0	112.2	V112 L115 Y130 A131 L138	V112-T134 WeakPolarHBondContact CG1-O 3.32Å; L115-T134 HydrophobicContact CB-CG2 4.16Å; Y130-T134 HydrophobicContact CD1-CG2 4.19Å; Y130-T134 HydrophobicContact CD2-CG2 4.3Å; Y130-T134 HydrophobicContact CE1-CG2 3.78Å; Y130-T134 HydrophobicContact CE2-CG2 3.9Å; Y130-T134 HydrophobicContact CG-CG2 4.43Å; Y130-T134 WeakPolarHBondContact O-CB 3.33Å; Y130-T134 WeakPolarHBondContact O-CG2 3.34Å; Y130-T134 PolarHBondContact O-N 3.29Å; Y130-T134 PolarHBondContact O-OG1 3.16Å; A131-T134 PolarHBondContact O-OG1 3.35Å; T134-L138 WeakPolarHBondContact O-CB 3.2Å; T134-L138 PolarHBondContact O-N 2.79Å
135	Y	92	Very high	92.2	Very high	6 Å²	6	37.5 Å²	37.5	2%	0.024	20%	0.2	C	C	.	.	H	α-helix	trans	-67.4	-42.8	175.6	-174.1	-98.5	0	0	0	112.4	V47 M51 Y55 M69 F70 A73 A131 I133 L137 L138 T139	V47-Y135 HydrophobicContact CG1-CE2 3.69Å; M51-Y135 HydrophobicContact CG-CD2 4.23Å; M51-Y135 HydrophobicContact CG-CE2 4.22Å; Y55-Y135 HydrophobicContact CE2-CD2 4.23Å; M69-Y135 HydrophobicContact CE-CD1 4.2Å; M69-Y135 HydrophobicContact CE-CG 3.98Å; F70-Y135 HydrophobicContact CB-CE1 4.43Å; F70-Y135 AromaticContact CD1-CD1 3.73Å; F70-Y135 HydrophobicContact CD1-CD1 3.73Å; F70-Y135 HydrophobicContact CD1-CD2 4.14Å; F70-Y135 AromaticContact CD1-CE1 3.29Å; F70-Y135 HydrophobicContact CD1-CE1 3.29Å; F70-Y135 AromaticContact CD1-CE2 3.72Å; F70-Y135 HydrophobicContact CD1-CE2 3.72Å; F70-Y135 HydrophobicContact CD1-CG 4.14Å; F70-Y135 AromaticContact CD1-CZ 3.27Å; F70-Y135 HydrophobicContact CE1-CD1 4.06Å; F70-Y135 AromaticContact CE1-CD2 3.64Å; F70-Y135 HydrophobicContact CE1-CD2 3.64Å; F70-Y135 AromaticContact CE1-CE1 3.82Å; F70-Y135 HydrophobicContact CE1-CE1 3.82Å; F70-Y135 AromaticContact CE1-CE2 3.34Å; F70-Y135 HydrophobicContact CE1-CE2 3.34Å; F70-Y135 AromaticContact CE1-CG 3.98Å; F70-Y135 HydrophobicContact CE1-CG 3.98Å; F70-Y135 AromaticContact CE1-CZ 3.45Å; F70-Y135 VanDerWaalsContact CE1-CZ 3.45Å; F70-Y135 HydrophobicContact CG-CE1 4.13Å; F70-Y135 HydrophobicContact CZ-CE2 4.1Å; A73-Y135 HydrophobicContact CB-CD1 3.7Å; A73-Y135 HydrophobicContact CB-CE1 3.63Å; A131-Y135 WeakPolarHBondContact O-CB 3.27Å; A131-Y135 PolarHBondContact O-N 3.27Å; I133-Y135 PolarHBondContact O-N 2.76Å; Y135-L137 PolarHBondContact O-N 3.24Å; Y135-L138 WeakPolarHBondContact O-CB 3.47Å; Y135-L138 PolarHBondContact O-N 3.08Å; Y135-T139 HydrophobicContact CD1-CG2 4.3Å; Y135-T139 HydrophobicContact CE1-CG2 3.84Å; Y135-T139 PolarHBondContact O-N 3.11Å; Y135-T139 PolarHBondContact O-OG1 3.04Å
136	T	91.5	Very high	92.2	Very high	31 Å²	31	32.8 Å²	32.8	19%	0.19	18%	0.175	C	C	.	.	H	α-helix	trans	-63.5	-44.6	177.1	-57.3	0	0	0	0	110.7	L76 A132 I133 L138 T139 L140	L76-T136 HydrophobicContact CD1-CG2 3.98Å; A132-T136 WeakPolarHBondContact O-CB 3.39Å; A132-T136 PolarHBondContact O-N 3.09Å; A132-T136 VanDerWaalsContact O-N 3.07Å; A132-T136 PolarHBondContact O-OG1 3.05Å; I133-T136 PolarHBondContact O-N 3Å; T136-L138 VanDerWaalsContact C-N 3.3Å; T136-L138 PolarHBondContact O-N 3.21Å; T136-T139 PolarHBondContact O-N 3.06Å; T136-T139 PolarHBondContact O-OG1 3.35Å; T136-L140 HydrophobicContact CG2-CD1 4.18Å; T136-L140 HydrophobicContact CG2-CG 4.5Å; T136-L140 WeakPolarHBondContact O-CG 3.3Å; T136-L140 PolarHBondContact O-N 2.8Å
137	L	92.5	Very high	92	Very high	79 Å²	79	32 Å²	32	41%	0.414	17%	0.166	S	C	.	.	H	α-helix	trans	-59.9	-40.1	174.1	-76.1	170.3	0	0	0	112	V112 I133 Y135 T139 L140 L141	V112-L137 HydrophobicContact CG1-CB 3.84Å; I133-L137 HydrophobicContact CG2-CD1 3.75Å; I133-L137 HydrophobicContact CG2-CG 4.44Å; I133-L137 WeakPolarHBondContact O-CB 3.21Å; I133-L137 WeakPolarHBondContact O-CG 3.26Å; I133-L137 PolarHBondContact O-N 3.17Å; Y135-L137 PolarHBondContact O-N 3.24Å; L137-T139 VanDerWaalsContact C-N 3.35Å; L137-T139 PolarHBondContact O-N 2.86Å; L137-L140 PolarHBondContact O-N 3.23Å; L137-L141 WeakPolarHBondContact O-CB 3.47Å; L137-L141 WeakPolarHBondContact O-CG 3.38Å; L137-L141 PolarHBondContact O-N 3.44Å
138	L	92.5	Very high	91.8	Very high	7 Å²	7	29.8 Å²	29.8	4%	0.037	16%	0.156	C	C	.	.	H	α-helix	trans	-59	-46.1	175.7	-179.5	63.8	0	0	0	111.1	V47 M51 F109 V112 C113 A116 T134 Y135 T136 Y142	V47-L138 HydrophobicContact CG2-CD2 3.83Å; M51-L138 HydrophobicContact CE-CD2 4.09Å; F109-L138 HydrophobicContact CD2-CD1 3.86Å; F109-L138 HydrophobicContact CE2-CD1 3.47Å; F109-L138 VanDerWaalsContact CE2-CD1 3.47Å; F109-L138 HydrophobicContact CE2-CG 4.38Å; F109-L138 HydrophobicContact CZ-CD1 4.44Å; V112-L138 HydrophobicContact CG1-CB 4.03Å; C113-L138 HydrophobicContact CB-CD1 3.81Å; A116-L138 HydrophobicContact CB-CD2 4.16Å; T134-L138 WeakPolarHBondContact O-CB 3.2Å; T134-L138 PolarHBondContact O-N 2.79Å; Y135-L138 WeakPolarHBondContact O-CB 3.47Å; Y135-L138 PolarHBondContact O-N 3.08Å; T136-L138 VanDerWaalsContact C-N 3.3Å; T136-L138 PolarHBondContact O-N 3.21Å; L138-Y142 WeakPolarHBondContact O-CB 3.31Å; L138-Y142 PolarHBondContact O-N 2.87Å
139	T	88.7	Confident	91.7	Very high	11 Å²	11	28.2 Å²	28.2	7%	0.067	15%	0.149	C	C	.	.	H	α-helix	trans	-65.7	-41.8	178.2	56.7	0	0	0	0	112.8	A73 Y135 T136 L137 Y142 T143	A73-T139 HydrophobicContact CB-CG2 4.36Å; Y135-T139 HydrophobicContact CD1-CG2 4.3Å; Y135-T139 HydrophobicContact CE1-CG2 3.84Å; Y135-T139 PolarHBondContact O-N 3.11Å; Y135-T139 PolarHBondContact O-OG1 3.04Å; T136-T139 PolarHBondContact O-N 3.06Å; T136-T139 PolarHBondContact O-OG1 3.35Å; L137-T139 VanDerWaalsContact C-N 3.35Å; L137-T139 PolarHBondContact O-N 2.86Å; T139-Y142 WeakPolarHBondContact O-CB 3.26Å; T139-Y142 PolarHBondContact O-N 3.1Å; T139-T143 PolarHBondContact O-N 3.47Å; T139-T143 VanDerWaalsContact O-N 3.15Å
140	L	90	Very high	91.5	Very high	62 Å²	62	23.4 Å²	23.4	33%	0.325	12%	0.124	S	C	.	.	H	α-helix	trans	-66.4	-41.3	177.7	-67.9	173.7	0	0	0	111.9	T136 L137 T143 V144	T136-L140 HydrophobicContact CG2-CD1 4.18Å; T136-L140 HydrophobicContact CG2-CG 4.5Å; T136-L140 WeakPolarHBondContact O-CG 3.3Å; T136-L140 PolarHBondContact O-N 2.8Å; L137-L140 PolarHBondContact O-N 3.23Å; L140-T143 WeakPolarHBondContact O-CB 3.42Å; L140-T143 PolarHBondContact O-N 3.43Å; L140-V144 WeakPolarHBondContact O-CG2 3.35Å; L140-V144 PolarHBondContact O-N 3.39Å
141	L	92.3	Very high	91	Very high	31 Å²	31	20.9 Å²	20.9	16%	0.162	11%	0.114	C	C	.	.	H	α-helix	trans	-70.4	-32.3	177.2	-74.4	169.1	0	0	0	112.5	P108 F109 V112 L137 T143 V144 V145	P108-L141 HydrophobicContact CB-CD1 4.22Å; P108-L141 HydrophobicContact CB-CD2 4.1Å; P108-L141 HydrophobicContact CG-CD2 4.16Å; F109-L141 HydrophobicContact CB-CB 4.11Å; F109-L141 HydrophobicContact CD2-CB 3.95Å; F109-L141 HydrophobicContact CG-CB 4.48Å; V112-L141 HydrophobicContact CB-CD1 3.83Å; V112-L141 HydrophobicContact CG1-CD1 4.31Å; V112-L141 HydrophobicContact CG2-CD1 3.5Å; L137-L141 WeakPolarHBondContact O-CB 3.47Å; L137-L141 WeakPolarHBondContact O-CG 3.38Å; L137-L141 PolarHBondContact O-N 3.44Å; L141-T143 VanDerWaalsContact C-N 3.25Å; L141-T143 PolarHBondContact O-N 2.86Å; L141-V144 PolarHBondContact O-N 3.16Å; L141-V145 PolarHBondContact O-N 2.9Å
142	Y	90.2	Very high	90.8	Very high	29 Å²	29	20.9 Å²	20.9	11%	0.114	11%	0.114	C	C	.	.	H	α-helix	trans	-56.8	-44.5	168.3	-179.8	-97.7	0	0	0	110.3	F44 F109 L138 T139 V145 N146	F44-Y142 HydrophobicContact CB-CE2 4.09Å; F44-Y142 HydrophobicContact CD2-CE1 4.25Å; F44-Y142 HydrophobicContact CD2-CE2 4.22Å; F44-Y142 AromaticContact CD2-CZ 3.89Å; F109-Y142 HydrophobicContact CE1-CD2 4.34Å; F109-Y142 HydrophobicContact CE2-CD2 4.11Å; F109-Y142 HydrophobicContact CE2-CG 4.46Å; F109-Y142 AromaticContact CZ-CD2 3.64Å; F109-Y142 HydrophobicContact CZ-CD2 3.64Å; F109-Y142 HydrophobicContact CZ-CG 4.41Å; L138-Y142 WeakPolarHBondContact O-CB 3.31Å; L138-Y142 PolarHBondContact O-N 2.87Å; T139-Y142 WeakPolarHBondContact O-CB 3.26Å; T139-Y142 PolarHBondContact O-N 3.1Å; Y142-V145 PolarHBondContact O-N 3.26Å; Y142-N146 HydrophobicContact CD1-CB 4.11Å; Y142-N146 HydrophobicContact CE1-CB 3.84Å; Y142-N146 WeakPolarHBondContact CE1-ND2 3.47Å; Y142-N146 HydrophobicContact CE2-CB 4.29Å; Y142-N146 HydrophobicContact CG-CB 4.45Å; Y142-N146 WeakPolarHBondContact O-CA 3.29Å; Y142-N146 WeakPolarHBondContact O-CB 3.43Å; Y142-N146 PolarHBondContact O-N 3.26Å; Y142-N146 PolarHBondContact OH-ND2 3.33Å
143	T	89.6	Confident	90.3	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.018	10%	0.104	C	C	.	.	H	α-helix	trans	-65	-39.4	177.5	-75.9	0	0	0	0	113.4	D77 D81 M84 T139 L140 L141 V145 I147	D77-T143 PolarHBondContact OD1-OG1 2.7Å; D81-T143 WeakPolarHBondContact OD1-CG2 3.43Å; D81-T143 PolarHBondContact OD1-OG1 2.77Å; M84-T143 HydrophobicContact CB-CG2 4.02Å; M84-T143 HydrophobicContact CG-CG2 4.43Å; T139-T143 PolarHBondContact O-N 3.47Å; T139-T143 VanDerWaalsContact O-N 3.15Å; L140-T143 WeakPolarHBondContact O-CB 3.42Å; L140-T143 PolarHBondContact O-N 3.43Å; L141-T143 VanDerWaalsContact C-N 3.25Å; L141-T143 PolarHBondContact O-N 2.86Å; T143-V145 VanDerWaalsContact C-N 3.26Å; T143-V145 PolarHBondContact O-N 3.14Å; T143-I147 HydrophobicContact CG2-CG1 3.81Å; T143-I147 WeakPolarHBondContact O-CB 3.39Å; T143-I147 WeakPolarHBondContact O-CG1 3.4Å; T143-I147 PolarHBondContact O-N 3.21Å; T143-I147 VanDerWaalsContact O-N 3.1Å
144	V	91.9	Very high	89.5	Confident	34 Å²	34	15.2 Å²	15.2	21%	0.206	8%	0.082	C	C	.	.	H	α-helix	trans	-58.9	-36	174.9	171.9	0	0	0	0	112.4	M84 W101 L140 L141 P148	M84-V144 HydrophobicContact SD-CB 4.47Å; M84-V144 HydrophobicContact SD-CG2 4.11Å; W101-V144 HydrophobicContact CE3-CG1 3.7Å; W101-V144 HydrophobicContact CZ3-CG1 4.1Å; L140-V144 WeakPolarHBondContact O-CG2 3.35Å; L140-V144 PolarHBondContact O-N 3.39Å; L141-V144 PolarHBondContact O-N 3.16Å; V144-P148 WeakPolarHBondContact O-CD 3.41Å; V144-P148 VanDerWaalsContact O-CG 3.3Å; V144-P148 WeakPolarHBondContact O-CG 3.32Å
145	V	92.3	Very high	89	Confident	1 Å²	1	15.2 Å²	15.2	1%	0.006	8%	0.081	C	C	.	.	H	α-helix	trans	-87.4	-48.2	178.9	176.4	0	0	0	0	111.3	G105 F109 L141 Y142 T143 Y149 L216	G105-V145 WeakPolarHBondContact O-CG2 3.47Å; F109-V145 HydrophobicContact CB-CG2 4.24Å; L141-V145 PolarHBondContact O-N 2.9Å; Y142-V145 PolarHBondContact O-N 3.26Å; T143-V145 VanDerWaalsContact C-N 3.26Å; T143-V145 PolarHBondContact O-N 3.14Å; V145-Y149 VanDerWaalsContact O-CB 3.24Å; V145-Y149 WeakPolarHBondContact O-CB 3.35Å; V145-Y149 PolarHBondContact O-N 3.25Å; V145-Y149 VanDerWaalsContact O-N 3.09Å; V145-L216 HydrophobicContact CG1-CD1 4.05Å; V145-L216 HydrophobicContact CG1-CD2 3.94Å
146	N	89.2	Confident	88.9	Confident	13 Å²	13	14.9 Å²	14.9	7%	0.07	8%	0.08	C	C	.	.	H	α-helix	trans	-78.6	-33.9	-164.7	-161.2	55.3	0	0	0	113	S40 Y142 Y149 C150	S40-N146 PolarHBondContact OG-OD1 2.87Å; Y142-N146 HydrophobicContact CD1-CB 4.11Å; Y142-N146 HydrophobicContact CE1-CB 3.84Å; Y142-N146 WeakPolarHBondContact CE1-ND2 3.47Å; Y142-N146 HydrophobicContact CE2-CB 4.29Å; Y142-N146 HydrophobicContact CG-CB 4.45Å; Y142-N146 WeakPolarHBondContact O-CA 3.29Å; Y142-N146 WeakPolarHBondContact O-CB 3.43Å; Y142-N146 PolarHBondContact O-N 3.26Å; Y142-N146 PolarHBondContact OH-ND2 3.33Å; N146-Y149 PolarHBondContact O-N 3.49Å; N146-C150 VanDerWaalsContact O-CB 3.32Å; N146-C150 WeakPolarHBondContact O-CB 3.45Å; N146-C150 PolarHBondContact O-N 3.49Å; N146-C150 PolarHBondContact O-SG 3.25Å
147	I	88.6	Confident	88.5	Confident	2 Å²	2	13.8 Å²	13.8	1%	0.01	7%	0.073	C	C	.	.	H	α-helix	trans	-65.3	-52.2	176.8	-62.5	-68.9	0	0	0	110.9	D81 M84 T143 Y149 C150 A151 A383 L386	D81-I147 HydrophobicContact CB-CD1 3.85Å; D81-I147 HydrophobicContact CB-CG1 4.35Å; D81-I147 VanDerWaalsContact CG-CD1 3.45Å; M84-I147 HydrophobicContact CB-CB 4.46Å; M84-I147 HydrophobicContact CB-CG2 4.46Å; M84-I147 HydrophobicContact CG-CB 4.27Å; T143-I147 HydrophobicContact CG2-CG1 3.81Å; T143-I147 WeakPolarHBondContact O-CB 3.39Å; T143-I147 WeakPolarHBondContact O-CG1 3.4Å; T143-I147 PolarHBondContact O-N 3.21Å; T143-I147 VanDerWaalsContact O-N 3.1Å; I147-Y149 VanDerWaalsContact C-N 3.31Å; I147-Y149 PolarHBondContact O-N 3.1Å; I147-C150 PolarHBondContact O-N 3.25Å; I147-A151 PolarHBondContact O-N 3.06Å; I147-A383 HydrophobicContact CD1-CB 4.45Å; I147-A383 HydrophobicContact CG2-CB 4.06Å; I147-L386 HydrophobicContact CD1-CB 4.11Å; I147-L386 HydrophobicContact CD1-CD1 3.48Å; I147-L386 VanDerWaalsContact CD1-CD1 3.48Å; I147-L386 HydrophobicContact CD1-CG 4.42Å
148	P	89.6	Confident	87.7	Confident	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-61.4	-38.5	174.7	-26.9	39.5	0	0	0	113	M84 A88 F98 W101 V144 C150 A151 L152	M84-P148 HydrophobicContact CE-CG 3.96Å; M84-P148 HydrophobicContact CG-CG 4.45Å; A88-P148 HydrophobicContact CB-CG 4.21Å; F98-P148 HydrophobicContact CB-CB 4.05Å; F98-P148 WeakPolarHBondContact CB-O 3.41Å; F98-P148 HydrophobicContact CD1-CB 4.07Å; W101-P148 HydrophobicContact CB-CB 3.72Å; W101-P148 HydrophobicContact CB-CG 3.57Å; W101-P148 HydrophobicContact CG-CB 4.29Å; W101-P148 HydrophobicContact CG-CG 3.92Å; V144-P148 WeakPolarHBondContact O-CD 3.41Å; V144-P148 VanDerWaalsContact O-CG 3.3Å; V144-P148 WeakPolarHBondContact O-CG 3.32Å; P148-C150 PolarHBondContact O-N 3.05Å; P148-A151 PolarHBondContact O-N 3.31Å; P148-L152 WeakPolarHBondContact O-CB 3.32Å; P148-L152 PolarHBondContact O-N 2.92Å
149	Y	92.1	Very high	87.1	Confident	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-59.4	-45.9	175.1	169.5	-100.6	0	0	0	112.6	Y33 D37 V145 N146 I147 A151 L152	Y33-Y149 AromaticContact CD2-CE2 3.85Å; Y33-Y149 HydrophobicContact CD2-CE2 3.85Å; Y33-Y149 HydrophobicContact CE2-CD2 4.39Å; Y33-Y149 AromaticContact CE2-CE2 3.74Å; Y33-Y149 HydrophobicContact CE2-CE2 3.74Å; Y33-Y149 AromaticContact CE2-CZ 3.91Å; Y33-Y149 VanDerWaalsContact O-CE2 3.24Å; Y33-Y149 WeakPolarHBondContact O-CE2 3.5Å; Y33-Y149 PolarHBondContact O-OH 3.18Å; D37-Y149 HydrophobicContact CB-CE1 3.71Å; D37-Y149 WeakPolarHBondContact CB-OH 3.43Å; D37-Y149 PolarHBondContact N-OH 2.86Å; D37-Y149 VanDerWaalsContact N-OH 3.13Å; V145-Y149 VanDerWaalsContact O-CB 3.24Å; V145-Y149 WeakPolarHBondContact O-CB 3.35Å; V145-Y149 PolarHBondContact O-N 3.25Å; V145-Y149 VanDerWaalsContact O-N 3.09Å; N146-Y149 PolarHBondContact O-N 3.49Å; I147-Y149 VanDerWaalsContact C-N 3.31Å; I147-Y149 PolarHBondContact O-N 3.1Å; Y149-A151 VanDerWaalsContact C-N 3.35Å; Y149-A151 PolarHBondContact O-N 3.15Å; Y149-L152 VanDerWaalsContact O-CB 3.27Å; Y149-L152 WeakPolarHBondContact O-CB 3.48Å; Y149-L152 PolarHBondContact O-N 3.31Å
150	C	88.4	Confident	86.6	Confident	1 Å²	1	15.7 Å²	15.7	1%	0.007	9%	0.085	C	C	.	.	H	α-helix	trans	-63.1	-42.6	178.3	-74.5	0	0	0	0	111.5	N146 I147 P148 L152 R170 W359 F382 L386	N146-C150 VanDerWaalsContact O-CB 3.32Å; N146-C150 WeakPolarHBondContact O-CB 3.45Å; N146-C150 PolarHBondContact O-N 3.49Å; N146-C150 PolarHBondContact O-SG 3.25Å; I147-C150 PolarHBondContact O-N 3.25Å; P148-C150 PolarHBondContact O-N 3.05Å; C150-L152 VanDerWaalsContact C-N 3.32Å; C150-L152 PolarHBondContact O-N 2.61Å; C150-R170 PolarHBondContact SG-NH2 2.79Å; C150-R170 VanDerWaalsContact SG-NH2 3.36Å; C150-W359 HydrophobicContact CB-CH2 4Å; C150-W359 HydrophobicContact CB-CZ3 3.81Å; C150-W359 VanDerWaalsContact SG-CH2 3.54Å; C150-F382 HydrophobicContact CB-CD1 4.23Å; C150-F382 WeakPolarHBondContact O-CD1 3.32Å; C150-F382 WeakPolarHBondContact O-CE1 3.31Å; C150-L386 HydrophobicContact CB-CD1 3.84Å
151	A	85.6	Confident	86.2	Confident	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-68.3	-28.3	177.5	0	0	0	0	0	113.4	F98 I147 P148 Y149 G153 G154 F382	F98-A151 HydrophobicContact CD1-CB 3.75Å; F98-A151 HydrophobicContact CE1-CB 3.49Å; F98-A151 VanDerWaalsContact CE1-CB 3.49Å; F98-A151 HydrophobicContact CE2-CB 4.41Å; F98-A151 HydrophobicContact CG-CB 4.34Å; F98-A151 HydrophobicContact CZ-CB 3.85Å; I147-A151 PolarHBondContact O-N 3.06Å; P148-A151 PolarHBondContact O-N 3.31Å; Y149-A151 VanDerWaalsContact C-N 3.35Å; Y149-A151 PolarHBondContact O-N 3.15Å; A151-G153 PolarHBondContact O-N 2.94Å; A151-G153 VanDerWaalsContact O-N 3.13Å; A151-G154 PolarHBondContact O-N 3.47Å; A151-F382 HydrophobicContact CB-CB 4.13Å; A151-F382 HydrophobicContact CB-CG 4.21Å
152	L	88.2	Confident	86	Confident	1 Å²	1	15 Å²	15	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-54.5	-34.6	-179.9	-177.1	63.1	0	0	0	112.6	Y33 F98 R99 P148 Y149 C150 G154 V155 I156 E225	Y33-L152 HydrophobicContact CD2-CD2 4.35Å; Y33-L152 HydrophobicContact CE2-CB 4.27Å; Y33-L152 HydrophobicContact CE2-CG 4.46Å; F98-L152 HydrophobicContact CB-CB 4.31Å; F98-L152 HydrophobicContact CB-CD1 4.2Å; R99-L152 HydrophobicContact CG-CD1 3.71Å; R99-L152 HydrophobicContact CG-CD2 4.22Å; P148-L152 WeakPolarHBondContact O-CB 3.32Å; P148-L152 PolarHBondContact O-N 2.92Å; Y149-L152 VanDerWaalsContact O-CB 3.27Å; Y149-L152 WeakPolarHBondContact O-CB 3.48Å; Y149-L152 PolarHBondContact O-N 3.31Å; C150-L152 VanDerWaalsContact C-N 3.32Å; C150-L152 PolarHBondContact O-N 2.61Å; L152-G154 PolarHBondContact O-N 3.36Å; L152-V155 HydrophobicContact CD1-CG2 4.1Å; L152-V155 VanDerWaalsContact O-CG2 3.31Å; L152-V155 WeakPolarHBondContact O-CG2 3.34Å; L152-V155 PolarHBondContact O-N 2.88Å; L152-V155 VanDerWaalsContact O-N 3.08Å; L152-I156 HydrophobicContact CD1-CG1 4.29Å; L152-I156 HydrophobicContact CD2-CD1 4.31Å; L152-I156 HydrophobicContact CG-CD1 3.86Å; L152-I156 HydrophobicContact CG-CG1 4.07Å; L152-I156 WeakPolarHBondContact O-CG1 3.31Å; L152-I156 PolarHBondContact O-N 3.26Å; L152-E225 HydrophobicContact CD1-CG 3.5Å; L152-E225 VanDerWaalsContact CD1-CG 3.5Å
153	G	83.1	Confident	85.9	Confident	1 Å²	1	13.8 Å²	13.8	1%	0.01	8%	0.079	C	C	.	.	H	α-helix	trans	-59.3	-31.8	177.5	0	0	0	0	0	113.6	Y33 A151 V155	Y33-G153 WeakPolarHBondContact OH-CA 3.41Å; A151-G153 PolarHBondContact O-N 2.94Å; A151-G153 VanDerWaalsContact O-N 3.13Å; G153-V155 VanDerWaalsContact C-N 3.28Å; G153-V155 PolarHBondContact O-N 3.47Å
154	G	77.3	Confident	85.8	Confident	1 Å²	1	14.1 Å²	14.1	1%	0.01	8%	0.081	C	C	.	.	H	α-helix	trans	-76.4	-11	178.6	0	0	0	0	0	114.6	A151 L152	A151-G154 PolarHBondContact O-N 3.47Å; L152-G154 PolarHBondContact O-N 3.36Å
155	V	83.9	Confident	85.8	Confident	6 Å²	6	13 Å²	13	4%	0.036	7%	0.074	C	C	.	.	H	α-helix	trans	-122.1	-7.3	-178.9	-61.9	0	0	0	0	115.1	F98 L152 G153 T157 E225 R226 V227 T378	F98-V155 HydrophobicContact CD2-CG2 3.59Å; F98-V155 HydrophobicContact CE2-CB 4.47Å; F98-V155 HydrophobicContact CE2-CG1 3.85Å; F98-V155 HydrophobicContact CE2-CG2 3.79Å; L152-V155 HydrophobicContact CD1-CG2 4.1Å; L152-V155 VanDerWaalsContact O-CG2 3.31Å; L152-V155 WeakPolarHBondContact O-CG2 3.34Å; L152-V155 PolarHBondContact O-N 2.88Å; L152-V155 VanDerWaalsContact O-N 3.08Å; G153-V155 VanDerWaalsContact C-N 3.28Å; G153-V155 PolarHBondContact O-N 3.47Å; V155-T157 VanDerWaalsContact C-N 3.29Å; V155-E225 HydrophobicContact CG2-CB 4.27Å; V155-E225 HydrophobicContact CG2-CG 3.78Å; V155-R226 PolarHBondContact O-N 2.87Å; V155-V227 HydrophobicContact CB-CB 4.3Å; V155-V227 HydrophobicContact CG1-CB 4.48Å; V155-V227 PolarHBondContact O-N 2.99Å; V155-T378 HydrophobicContact CG1-CG2 4.41Å
156	I	88.7	Confident	85.7	Confident	0 Å²	0	13 Å²	13	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-64.6	-38.2	169.4	-75.5	166.7	0	0	0	110.6	L25 Y33 L152 L166 T223 R226	L25-I156 HydrophobicContact CD1-CG2 3.79Å; L25-I156 HydrophobicContact CD2-CG2 3.81Å; L25-I156 HydrophobicContact CG-CG2 4.48Å; Y33-I156 HydrophobicContact CD2-CD1 3.52Å; Y33-I156 HydrophobicContact CE2-CD1 4.07Å; Y33-I156 HydrophobicContact CG-CD1 3.98Å; L152-I156 HydrophobicContact CD1-CG1 4.29Å; L152-I156 HydrophobicContact CD2-CD1 4.31Å; L152-I156 HydrophobicContact CG-CD1 3.86Å; L152-I156 HydrophobicContact CG-CG1 4.07Å; L152-I156 WeakPolarHBondContact O-CG1 3.31Å; L152-I156 PolarHBondContact O-N 3.26Å; I156-L166 HydrophobicContact CB-CD2 4.1Å; I156-L166 HydrophobicContact CD1-CD2 3.98Å; I156-L166 HydrophobicContact CG2-CD2 4.02Å; I156-T223 HydrophobicContact CD1-CG2 3.93Å; I156-R226 WeakPolarHBondContact O-CD 3.37Å; I156-R226 PolarHBondContact O-NH1 3.34Å
157	T	84.7	Confident	85.8	Confident	7 Å²	7	12.5 Å²	12.5	4%	0.043	7%	0.071	C	C	.	.			trans	-152.9	144.7	179.2	-174.2	0	0	0	0	111.2	L25 V155 D159 Q162 R163	L25-T157 HydrophobicContact CD1-CG2 3.86Å; V155-T157 VanDerWaalsContact C-N 3.29Å; T157-D159 PolarHBondContact OG1-N 3.38Å; T157-D159 VanDerWaalsContact OG1-N 3.14Å; T157-Q162 HydrophobicContact CG2-CB 3.78Å; T157-R163 HydrophobicContact CG2-CG 3.76Å; T157-R163 PolarHBondContact O-NE 3.02Å
158	N	74.7	Confident	86	Confident	88 Å²	88	12.6 Å²	12.6	47%	0.471	7%	0.073	S	C	.	.			trans	-89.6	-11.6	168.8	61.4	-9.1	0	0	0	112.3	P160 V227 M458	N158-P160 VanDerWaalsContact O-CD 3.25Å; N158-P160 WeakPolarHBondContact O-CD 3.34Å; N158-V227 HydrophobicContact CB-CG2 3.79Å; N158-M458 HydrophobicContact CB-CE 3.91Å; N158-M458 WeakPolarHBondContact O-CE 3.24Å
159	D	80.8	Confident	86.2	Confident	22 Å²	22	17.1 Å²	17.1	12%	0.118	9%	0.09	C	C	.	.			trans	-72.8	115.6	-179.5	179.5	-16.7	0	0	0	111.1	S22 T157 T161 Q162 R163	S22-D159 WeakPolarHBondContact CB-OD2 3.42Å; T157-D159 PolarHBondContact OG1-N 3.38Å; T157-D159 VanDerWaalsContact OG1-N 3.14Å; D159-T161 VanDerWaalsContact CG-OG1 3.26Å; D159-T161 PolarHBondContact O-N 3.47Å; D159-T161 WeakPolarHBondContact OD1-CA 3.45Å; D159-T161 WeakPolarHBondContact OD1-CB 3.43Å; D159-T161 PolarHBondContact OD1-N 3.29Å; D159-T161 PolarHBondContact OD1-OG1 2.89Å; D159-T161 PolarHBondContact OD2-OG1 2.77Å; D159-Q162 HydrophobicContact CB-CB 4.04Å; D159-Q162 HydrophobicContact CB-CG 3.95Å; D159-Q162 PolarHBondContact O-N 3.34Å; D159-Q162 VanDerWaalsContact O-N 3.12Å; D159-Q162 PolarHBondContact OD1-N 3.15Å; D159-Q162 WeakPolarHBondContact OD2-CG 3.18Å; D159-R163 WeakPolarHBondContact O-CG 3.42Å; D159-R163 PolarHBondContact O-N 3.16Å
160	P	78.3	Confident	86.2	Confident	28 Å²	28	17.3 Å²	17.3	18%	0.182	9%	0.09	C	C	.	.	H	α-helix	trans	-58	-33.3	-179.6	-24.4	35.1	0	0	0	113.7	N158 R163 I164 L454 M458	N158-P160 VanDerWaalsContact O-CD 3.25Å; N158-P160 WeakPolarHBondContact O-CD 3.34Å; P160-R163 PolarHBondContact O-N 3.36Å; P160-I164 WeakPolarHBondContact O-CG1 3.47Å; P160-I164 PolarHBondContact O-N 3.43Å; P160-L454 HydrophobicContact CB-CD2 3.98Å; P160-L454 HydrophobicContact CG-CD2 3.71Å; P160-L454 HydrophobicContact CG-CG 4.46Å; P160-M458 HydrophobicContact CG-SD 3.67Å
161	T	80.9	Confident	86.4	Confident	62 Å²	62	17.9 Å²	17.9	38%	0.38	9%	0.093	S	C	.	.	H	α-helix	trans	-71.5	-39.1	179	70.1	0	0	0	0	111.4	D159 I164 S165 K303	D159-T161 VanDerWaalsContact CG-OG1 3.26Å; D159-T161 PolarHBondContact O-N 3.47Å; D159-T161 WeakPolarHBondContact OD1-CA 3.45Å; D159-T161 WeakPolarHBondContact OD1-CB 3.43Å; D159-T161 PolarHBondContact OD1-N 3.29Å; D159-T161 PolarHBondContact OD1-OG1 2.89Å; D159-T161 PolarHBondContact OD2-OG1 2.77Å; T161-I164 PolarHBondContact O-N 2.9Å; T161-S165 PolarHBondContact O-N 3.38Å; T161-K303 VanDerWaalsContact O-CE 3.29Å; T161-K303 WeakPolarHBondContact O-CE 3.36Å
162	Q	87.3	Confident	86.7	Confident	16 Å²	16	19.9 Å²	19.9	8%	0.075	11%	0.105	C	C	.	.	H	α-helix	trans	-69.9	-35.1	174.7	-64.4	-56.4	-48	0	0	111.3	L25 T157 D159 I164 S165 L166	L25-Q162 HydrophobicContact CD1-CB 4.12Å; L25-Q162 HydrophobicContact CG-CB 4.25Å; L25-Q162 VanDerWaalsContact N-OE1 3.13Å; T157-Q162 HydrophobicContact CG2-CB 3.78Å; D159-Q162 HydrophobicContact CB-CB 4.04Å; D159-Q162 HydrophobicContact CB-CG 3.95Å; D159-Q162 PolarHBondContact O-N 3.34Å; D159-Q162 VanDerWaalsContact O-N 3.12Å; D159-Q162 PolarHBondContact OD1-N 3.15Å; D159-Q162 WeakPolarHBondContact OD2-CG 3.18Å; Q162-I164 PolarHBondContact O-N 3.3Å; Q162-S165 WeakPolarHBondContact O-CB 3.3Å; Q162-S165 PolarHBondContact O-N 3.16Å; Q162-L166 WeakPolarHBondContact O-CB 3.2Å; Q162-L166 PolarHBondContact O-N 3.41Å
163	R	87.9	Confident	87	Confident	3 Å²	3	21.2 Å²	21.2	1%	0.011	11%	0.112	C	C	.	.	H	α-helix	trans	-59.5	-43.6	173.7	-70.7	-177.4	-174.8	161	-1.9	112.1	T157 D159 P160 S165 L166 Q167 V360 D367	T157-R163 HydrophobicContact CG2-CG 3.76Å; T157-R163 PolarHBondContact O-NE 3.02Å; D159-R163 WeakPolarHBondContact O-CG 3.42Å; D159-R163 PolarHBondContact O-N 3.16Å; P160-R163 PolarHBondContact O-N 3.36Å; R163-S165 VanDerWaalsContact C-N 3.33Å; R163-S165 PolarHBondContact O-N 2.98Å; R163-L166 WeakPolarHBondContact O-CB 3.33Å; R163-L166 PolarHBondContact O-N 3.43Å; R163-Q167 WeakPolarHBondContact O-CG 3.25Å; R163-Q167 PolarHBondContact O-N 3.44Å; R163-V360 HydrophobicContact CB-CG1 4.37Å; R163-V360 HydrophobicContact CB-CG2 4.17Å; R163-D367 IonicContact CZ-OD2 2.76Å; R163-D367 IonicContact NH1-OD1 3.61Å; R163-D367 IonicContact NH1-OD2 3.39Å; R163-D367 PolarHBondContact NH1-OD2 3.28Å; R163-D367 IonicContact NH2-OD1 3.09Å; R163-D367 PolarHBondContact NH2-OD1 2.9Å; R163-D367 IonicContact NH2-OD2 3.62Å; R163-D367 PolarHBondContact NH2-OD2 2.83Å
164	I	88.6	Confident	87.3	Confident	11 Å²	11	21.2 Å²	21.2	6%	0.056	11%	0.112	C	C	.	.	H	α-helix	trans	-62.8	-43	176.1	-60.9	166.3	0	0	0	111.1	P160 T161 Q162 L166 Q167 S168 K303 T306 K311 V360	P160-I164 WeakPolarHBondContact O-CG1 3.47Å; P160-I164 PolarHBondContact O-N 3.43Å; T161-I164 PolarHBondContact O-N 2.9Å; Q162-I164 PolarHBondContact O-N 3.3Å; I164-L166 VanDerWaalsContact C-N 3.33Å; I164-L166 PolarHBondContact O-N 3.38Å; I164-Q167 PolarHBondContact O-N 2.92Å; I164-S168 WeakPolarHBondContact O-CB 3.31Å; I164-S168 PolarHBondContact O-N 2.93Å; I164-S168 PolarHBondContact O-OG 3.03Å; I164-K303 HydrophobicContact CB-CD 4.22Å; I164-K303 HydrophobicContact CG2-CB 4.42Å; I164-K303 HydrophobicContact CG2-CD 4.01Å; I164-T306 HydrophobicContact CD1-CG2 4.28Å; I164-T306 HydrophobicContact CG2-CG2 4.42Å; I164-T306 WeakPolarHBondContact CG2-OG1 3.4Å; I164-K311 HydrophobicContact CD1-CB 4.22Å; I164-K311 HydrophobicContact CD1-CD 4.28Å; I164-V360 HydrophobicContact CB-CG2 4.28Å; I164-V360 HydrophobicContact CG1-CB 4.18Å; I164-V360 HydrophobicContact CG1-CG1 3.89Å; I164-V360 HydrophobicContact CG1-CG2 3.75Å
165	S	90.9	Very high	87.8	Confident	10 Å²	10	22.1 Å²	22.1	7%	0.07	12%	0.117	C	C	.	.	H	α-helix	trans	-60	-46.8	175.9	-168.3	0	0	0	0	110.9	K30 T161 Q162 R163 Q167 S168 W169	K30-S165 WeakPolarHBondContact CE-OG 3.49Å; K30-S165 PolarHBondContact NZ-OG 3.45Å; T161-S165 PolarHBondContact O-N 3.38Å; Q162-S165 WeakPolarHBondContact O-CB 3.3Å; Q162-S165 PolarHBondContact O-N 3.16Å; R163-S165 VanDerWaalsContact C-N 3.33Å; R163-S165 PolarHBondContact O-N 2.98Å; S165-Q167 PolarHBondContact O-N 2.94Å; S165-S168 PolarHBondContact O-N 3.46Å; S165-W169 VanDerWaalsContact O-CD1 3.26Å; S165-W169 PolarHBondContact O-N 3.39Å; S165-W169 VanDerWaalsContact O-N 3.11Å
166	L	91.7	Very high	88	Confident	0 Å²	0	24 Å²	24	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-59.7	-46.7	-179.7	-170.6	66.9	0	0	0	112	L25 K30 Y33 I156 Q162 R163 I164 W169 R170	L25-L166 HydrophobicContact CD1-CB 4.39Å; L25-L166 HydrophobicContact CD1-CD1 4.15Å; L25-L166 HydrophobicContact CD1-CD2 4.34Å; K30-L166 HydrophobicContact CB-CD1 4.49Å; K30-L166 HydrophobicContact CG-CD1 4.16Å; Y33-L166 HydrophobicContact CD1-CD1 3.57Å; Y33-L166 HydrophobicContact CD1-CD2 3.93Å; Y33-L166 HydrophobicContact CD1-CG 3.4Å; Y33-L166 VanDerWaalsContact CD1-CG 3.4Å; Y33-L166 HydrophobicContact CE1-CD1 4.44Å; Y33-L166 HydrophobicContact CE1-CD2 4.05Å; Y33-L166 HydrophobicContact CE1-CG 3.8Å; Y33-L166 HydrophobicContact CG-CD1 3.82Å; Y33-L166 HydrophobicContact CG-CD2 4.29Å; Y33-L166 HydrophobicContact CG-CG 4.04Å; I156-L166 HydrophobicContact CB-CD2 4.1Å; I156-L166 HydrophobicContact CD1-CD2 3.98Å; I156-L166 HydrophobicContact CG2-CD2 4.02Å; Q162-L166 WeakPolarHBondContact O-CB 3.2Å; Q162-L166 PolarHBondContact O-N 3.41Å; R163-L166 WeakPolarHBondContact O-CB 3.33Å; R163-L166 PolarHBondContact O-N 3.43Å; I164-L166 VanDerWaalsContact C-N 3.33Å; I164-L166 PolarHBondContact O-N 3.38Å; L166-W169 PolarHBondContact O-N 2.87Å; L166-R170 WeakPolarHBondContact O-CB 3.44Å; L166-R170 PolarHBondContact O-N 2.88Å
167	Q	91.6	Very high	88	Confident	3 Å²	3	24.1 Å²	24.1	1%	0.014	13%	0.134	C	C	.	.	H	α-helix	trans	-68.2	-35.1	177.2	-65	-61.6	-13.7	0	0	112.6	R163 I164 S165 R170 F171 P356 W359 V360	R163-Q167 WeakPolarHBondContact O-CG 3.25Å; R163-Q167 PolarHBondContact O-N 3.44Å; I164-Q167 PolarHBondContact O-N 2.92Å; S165-Q167 PolarHBondContact O-N 2.94Å; Q167-R170 WeakPolarHBondContact O-CB 3.49Å; Q167-R170 PolarHBondContact O-N 3.01Å; Q167-F171 VanDerWaalsContact O-CD2 3.3Å; Q167-F171 WeakPolarHBondContact O-CD2 3.37Å; Q167-F171 PolarHBondContact O-N 3.23Å; Q167-F171 VanDerWaalsContact O-N 3.08Å; Q167-P356 HydrophobicContact CB-CB 4.08Å; Q167-W359 HydrophobicContact CG-CB 4.14Å; Q167-V360 HydrophobicContact CB-CG2 4.2Å; Q167-V360 HydrophobicContact CG-CG2 3.74Å
168	S	92.1	Very high	87.9	Confident	5 Å²	5	24 Å²	24	4%	0.035	13%	0.134	C	C	.	.	H	α-helix	trans	-61.6	-47.3	176.5	-56.5	0	0	0	0	111	I164 S165 F171 V172 S299 K303	I164-S168 WeakPolarHBondContact O-CB 3.31Å; I164-S168 PolarHBondContact O-N 2.93Å; I164-S168 PolarHBondContact O-OG 3.03Å; S165-S168 PolarHBondContact O-N 3.46Å; S168-F171 PolarHBondContact O-N 2.63Å; S168-V172 WeakPolarHBondContact O-CG2 3.38Å; S168-V172 PolarHBondContact O-N 3.19Å; S168-S299 WeakPolarHBondContact CB-O 3.47Å; S168-K303 PolarHBondContact OG-N 3.07Å
169	W	93.3	Very high	88.2	Confident	95 Å²	95	22.2 Å²	22.2	36%	0.36	12%	0.124	S	C	.	.	H	α-helix	trans	-63.6	-40.5	175.6	-82.8	84.7	0	0	0	112.5	V27 K30 I31 S165 L166 F171 V172 L173	V27-W169 HydrophobicContact CG1-CH2 4.03Å; V27-W169 HydrophobicContact CG1-CZ2 4.24Å; K30-W169 HydrophobicContact CB-CB 4.14Å; K30-W169 HydrophobicContact CB-CD2 4.27Å; K30-W169 HydrophobicContact CB-CG 3.91Å; K30-W169 HydrophobicContact CD-CG 4.49Å; I31-W169 HydrophobicContact CD1-CZ3 4.1Å; I31-W169 HydrophobicContact CG1-CE3 3.84Å; I31-W169 HydrophobicContact CG1-CH2 4.46Å; I31-W169 HydrophobicContact CG1-CZ3 3.62Å; S165-W169 VanDerWaalsContact O-CD1 3.26Å; S165-W169 PolarHBondContact O-N 3.39Å; S165-W169 VanDerWaalsContact O-N 3.11Å; L166-W169 PolarHBondContact O-N 2.87Å; W169-F171 PolarHBondContact O-N 2.84Å; W169-V172 PolarHBondContact O-N 2.83Å; W169-L173 PolarHBondContact O-N 2.8Å; W169-L173 VanDerWaalsContact O-N 3.15Å
170	R	93	Very high	88.2	Confident	4 Å²	4	24.8 Å²	24.8	2%	0.015	14%	0.137	C	C	.	.	H	α-helix	trans	-53	-54.5	175.4	178.5	-166.9	169.1	170.1	4.6	111.4	Y33 D37 C150 L166 Q167 V172 L173 A174 W359	Y33-R170 HydrophobicContact CD1-CB 4.13Å; Y33-R170 HydrophobicContact CE1-CB 4.02Å; Y33-R170 HydrophobicContact CE1-CG 4.15Å; D37-R170 HydrophobicContact CB-CG 3.74Å; D37-R170 IonicContact OD1-CZ 2.94Å; D37-R170 IonicContact OD1-NE 2.89Å; D37-R170 IonicContact OD1-NH2 3.74Å; D37-R170 PolarHBondContact OD1-NH2 2.86Å; D37-R170 WeakPolarHBondContact OD2-CG 3.41Å; D37-R170 IonicContact OD2-CZ 2.73Å; D37-R170 IonicContact OD2-NE 3.87Å; D37-R170 PolarHBondContact OD2-NE 2.75Å; D37-R170 IonicContact OD2-NH2 2.81Å; D37-R170 PolarHBondContact OD2-NH2 2.96Å; C150-R170 PolarHBondContact SG-NH2 2.79Å; C150-R170 VanDerWaalsContact SG-NH2 3.36Å; L166-R170 WeakPolarHBondContact O-CB 3.44Å; L166-R170 PolarHBondContact O-N 2.88Å; Q167-R170 WeakPolarHBondContact O-CB 3.49Å; Q167-R170 PolarHBondContact O-N 3.01Å; R170-V172 PolarHBondContact O-N 2.92Å; R170-L173 PolarHBondContact O-N 2.66Å; R170-A174 WeakPolarHBondContact O-CB 3.48Å; R170-A174 PolarHBondContact O-N 3.26Å; R170-W359 VanDerWaalsContact NH1-CE3 3.28Å
171	F	92.1	Very high	88.2	Confident	13 Å²	13	23.5 Å²	23.5	6%	0.057	13%	0.129	C	C	.	.	H	α-helix	trans	-73.1	-27.9	-174.1	-79.2	-66.7	0	0	0	114.5	Q167 S168 W169 A174 T175 S299 Q352 T355 P356 W359	Q167-F171 VanDerWaalsContact O-CD2 3.3Å; Q167-F171 WeakPolarHBondContact O-CD2 3.37Å; Q167-F171 PolarHBondContact O-N 3.23Å; Q167-F171 VanDerWaalsContact O-N 3.08Å; S168-F171 PolarHBondContact O-N 2.63Å; W169-F171 PolarHBondContact O-N 2.84Å; F171-A174 HydrophobicContact CD1-CB 4.46Å; F171-T175 WeakPolarHBondContact O-CB 3.39Å; F171-T175 PolarHBondContact O-N 2.83Å; F171-T175 PolarHBondContact O-OG1 3.26Å; F171-S299 WeakPolarHBondContact CB-OG 3.25Å; F171-Q352 VanDerWaalsContact CD1-NE2 3.29Å; F171-T355 HydrophobicContact CD1-CG2 4.08Å; F171-T355 HydrophobicContact CD2-CG2 4.33Å; F171-T355 HydrophobicContact CE1-CG2 3.69Å; F171-T355 HydrophobicContact CE2-CG2 3.97Å; F171-T355 HydrophobicContact CG-CG2 4.41Å; F171-T355 HydrophobicContact CZ-CG2 3.66Å; F171-P356 HydrophobicContact CB-CG 4.17Å; F171-P356 HydrophobicContact CD2-CB 4.06Å; F171-P356 HydrophobicContact CD2-CG 3.79Å; F171-P356 HydrophobicContact CG-CG 4.28Å; F171-W359 HydrophobicContact CE2-CB 4.22Å; F171-W359 AromaticContact CE2-CD1 3.49Å; F171-W359 VanDerWaalsContact CE2-CD1 3.49Å; F171-W359 HydrophobicContact CE2-CD2 4.4Å; F171-W359 AromaticContact CE2-CG 3.77Å; F171-W359 HydrophobicContact CE2-CG 3.77Å; F171-W359 AromaticContact CE2-NE1 3.96Å; F171-W359 AromaticContact CZ-CD1 3.37Å; F171-W359 HydrophobicContact CZ-CD2 4.17Å; F171-W359 AromaticContact CZ-CE2 3.81Å; F171-W359 AromaticContact CZ-CG 3.89Å; F171-W359 HydrophobicContact CZ-CG 3.89Å; F171-W359 AromaticContact CZ-NE1 3.32Å; F171-W359 VanDerWaalsContact CZ-NE1 3.32Å
172	V	92.5	Very high	87.8	Confident	41 Å²	41	22.8 Å²	22.8	25%	0.248	12%	0.124	C	C	.	.	H	α-helix	trans	-59.9	-49.6	168.1	172.8	0	0	0	0	110	S168 W169 R170 A176 L296 A300	S168-V172 WeakPolarHBondContact O-CG2 3.38Å; S168-V172 PolarHBondContact O-N 3.19Å; W169-V172 PolarHBondContact O-N 2.83Å; R170-V172 PolarHBondContact O-N 2.92Å; V172-A176 WeakPolarHBondContact O-CB 3.48Å; V172-A176 PolarHBondContact O-N 2.9Å; V172-A176 VanDerWaalsContact O-N 3.09Å; V172-L296 HydrophobicContact CG1-CD2 4.06Å; V172-L296 WeakPolarHBondContact O-CD2 3.4Å; V172-A300 HydrophobicContact CG2-CB 4.1Å
173	L	93.7	Very high	87.4	Confident	30 Å²	30	26.9 Å²	26.9	16%	0.157	15%	0.15	C	C	.	.	H	α-helix	trans	-71.4	-36.1	-178.2	-68.9	173.7	0	0	0	112.5	I31 M35 A38 W169 R170 A176 G177	I31-L173 HydrophobicContact CG2-CD1 4.27Å; M35-L173 HydrophobicContact CE-CD1 4.41Å; M35-L173 HydrophobicContact CE-CD2 4.03Å; A38-L173 HydrophobicContact CB-CB 4.32Å; A38-L173 VanDerWaalsContact CB-O 3.27Å; A38-L173 WeakPolarHBondContact CB-O 3.47Å; W169-L173 PolarHBondContact O-N 2.8Å; W169-L173 VanDerWaalsContact O-N 3.15Å; R170-L173 PolarHBondContact O-N 2.66Å; L173-A176 PolarHBondContact O-N 2.95Å; L173-G177 PolarHBondContact O-N 3.25Å
174	A	90.6	Very high	87.2	Confident	1 Å²	1	29.8 Å²	29.8	1%	0.008	17%	0.166	C	C	.	.	H	α-helix	trans	-58.7	-50	174.1	0	0	0	0	0	111.4	D37 R170 F171 A176 G177 G178	D37-A174 HydrophobicContact CB-CB 3.99Å; D37-A174 WeakPolarHBondContact OD2-CB 3.4Å; R170-A174 WeakPolarHBondContact O-CB 3.48Å; R170-A174 PolarHBondContact O-N 3.26Å; F171-A174 HydrophobicContact CD1-CB 4.46Å; A174-A176 VanDerWaalsContact C-N 3.34Å; A174-A176 PolarHBondContact O-N 2.78Å; A174-G177 PolarHBondContact O-N 3.24Å; A174-G178 PolarHBondContact O-N 2.87Å
175	T	87.5	Confident	87.1	Confident	20 Å²	20	29.3 Å²	29.3	12%	0.123	16%	0.163	C	C	.	.	H	α-helix	trans	-62.2	-42.6	178.8	-52.4	0	0	0	0	110.9	F171 G178 M179 N295 L296	F171-T175 WeakPolarHBondContact O-CB 3.39Å; F171-T175 PolarHBondContact O-N 2.83Å; F171-T175 PolarHBondContact O-OG1 3.26Å; T175-G178 PolarHBondContact O-N 3.42Å; T175-M179 HydrophobicContact CG2-SD 4.48Å; T175-M179 WeakPolarHBondContact O-CG 3.5Å; T175-M179 PolarHBondContact O-N 3.17Å; T175-N295 HydrophobicContact CG2-CB 4.04Å; T175-L296 HydrophobicContact CG2-CD2 4.03Å; T175-L296 HydrophobicContact CG2-CG 3.86Å
176	A	87.3	Confident	86.8	Confident	44 Å²	44	32.3 Å²	32.3	36%	0.364	18%	0.177	S	C	.	.	H	α-helix	trans	-64	-40.4	175.9	0	0	0	0	0	112.5	V172 L173 A174 M179 L180 L296	V172-A176 WeakPolarHBondContact O-CB 3.48Å; V172-A176 PolarHBondContact O-N 2.9Å; V172-A176 VanDerWaalsContact O-N 3.09Å; L173-A176 PolarHBondContact O-N 2.95Å; A174-A176 VanDerWaalsContact C-N 3.34Å; A174-A176 PolarHBondContact O-N 2.78Å; A176-M179 PolarHBondContact O-N 3.26Å; A176-L180 WeakPolarHBondContact O-CB 3.36Å; A176-L180 PolarHBondContact O-N 3.27Å; A176-L296 HydrophobicContact CB-CD2 4.35Å
177	G	87.9	Confident	86.6	Confident	3 Å²	3	35.7 Å²	35.7	3%	0.031	20%	0.199	C	C	.	.	H	α-helix	trans	-64.4	-43.7	176.4	0	0	0	0	0	113	I42 L173 A174 L180 S181	I42-G177 WeakPolarHBondContact CG1-O 3.37Å; L173-G177 PolarHBondContact O-N 3.25Å; A174-G177 PolarHBondContact O-N 3.24Å; G177-L180 WeakPolarHBondContact O-CB 3.46Å; G177-L180 PolarHBondContact O-N 3.27Å; G177-S181 PolarHBondContact O-N 2.69Å
178	G	83.4	Confident	86.5	Confident	4 Å²	4	37 Å²	37	4%	0.041	21%	0.206	C	C	.	.	H	α-helix	trans	-61.5	-44.2	174.7	0	0	0	0	0	112.8	D45 A174 T175 L180 S181 T182	D45-G178 WeakPolarHBondContact OD2-CA 3.19Å; A174-G178 PolarHBondContact O-N 2.87Å; T175-G178 PolarHBondContact O-N 3.42Å; G178-L180 PolarHBondContact O-N 3.24Å; G178-S181 PolarHBondContact O-N 2.91Å; G178-T182 WeakPolarHBondContact O-CG2 3.21Å; G178-T182 PolarHBondContact O-N 3.36Å; G178-T182 PolarHBondContact O-OG1 2.93Å
179	M	82.2	Confident	86.3	Confident	52 Å²	52	36.8 Å²	36.8	26%	0.256	20%	0.204	S	C	.	.	H	α-helix	trans	-61.5	-43.6	173.8	-73	179.2	69.1	0	0	112.1	T175 A176 S181 T182 V183 C292 L296	T175-M179 HydrophobicContact CG2-SD 4.48Å; T175-M179 WeakPolarHBondContact O-CG 3.5Å; T175-M179 PolarHBondContact O-N 3.17Å; A176-M179 PolarHBondContact O-N 3.26Å; M179-S181 VanDerWaalsContact C-N 3.31Å; M179-S181 PolarHBondContact O-N 3.26Å; M179-T182 WeakPolarHBondContact CA-OG1 3.09Å; M179-T182 PolarHBondContact O-N 2.97Å; M179-T182 PolarHBondContact O-OG1 3.39Å; M179-V183 WeakPolarHBondContact O-CB 3.28Å; M179-V183 VanDerWaalsContact O-CG2 3.28Å; M179-V183 WeakPolarHBondContact O-CG2 3.36Å; M179-V183 PolarHBondContact O-N 2.69Å; M179-C292 HydrophobicContact CE-CB 4.36Å; M179-C292 HydrophobicContact CG-CB 4.15Å; M179-C292 HydrophobicContact SD-CB 3.73Å; M179-L296 HydrophobicContact SD-CD1 4.08Å
180	L	79.6	Confident	86	Confident	76 Å²	76	36.1 Å²	36.1	40%	0.398	21%	0.208	S	C	.	.	H	α-helix	trans	-58.2	-45.8	178.8	-174	71.2	0	0	0	111.1	I42 A176 G177 G178 L184	I42-L180 HydrophobicContact CD1-CD2 4.47Å; A176-L180 WeakPolarHBondContact O-CB 3.36Å; A176-L180 PolarHBondContact O-N 3.27Å; G177-L180 WeakPolarHBondContact O-CB 3.46Å; G177-L180 PolarHBondContact O-N 3.27Å; G178-L180 PolarHBondContact O-N 3.24Å; L180-L184 HydrophobicContact CD1-CD1 3.47Å; L180-L184 VanDerWaalsContact CD1-CD1 3.47Å; L180-L184 HydrophobicContact CD1-CG 3.98Å; L180-L184 HydrophobicContact CD2-CD1 4.41Å; L180-L184 HydrophobicContact CG-CD1 3.69Å; L180-L184 HydrophobicContact CG-CG 4.3Å; L180-L184 VanDerWaalsContact O-CB 3.22Å; L180-L184 WeakPolarHBondContact O-CB 3.38Å; L180-L184 VanDerWaalsContact O-CG 3.28Å; L180-L184 WeakPolarHBondContact O-CG 3.36Å; L180-L184 PolarHBondContact O-N 3.12Å
181	S	78.4	Confident	85.9	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-67.7	-45.3	-178.9	-177.5	0	0	0	0	113.1	I42 N46 G177 G178 M179 V183 M185	I42-S181 VanDerWaalsContact O-CB 3.3Å; I42-S181 WeakPolarHBondContact O-CB 3.49Å; I42-S181 PolarHBondContact O-OG 3.38Å; N46-S181 WeakPolarHBondContact CB-OG 3.4Å; G177-S181 PolarHBondContact O-N 2.69Å; G178-S181 PolarHBondContact O-N 2.91Å; M179-S181 VanDerWaalsContact C-N 3.31Å; M179-S181 PolarHBondContact O-N 3.26Å; S181-V183 VanDerWaalsContact C-N 3.28Å; S181-V183 PolarHBondContact O-N 2.95Å; S181-M185 WeakPolarHBondContact O-CB 3.17Å; S181-M185 PolarHBondContact O-N 3.23Å
182	T	72	Confident	85.9	Confident	48 Å²	48	45.3 Å²	45.3	29%	0.294	26%	0.257	S	S	.	.	H	α-helix	trans	-62.8	-36.4	-180	47.2	0	0	0	0	112	D45 L49 Y50 G178 M179	D45-T182 HydrophobicContact CB-CG2 4.42Å; L49-T182 HydrophobicContact CD2-CG2 3.78Å; Y50-T182 PolarHBondContact OH-O 3.19Å; Y50-T182 VanDerWaalsContact OH-O 3.06Å; G178-T182 WeakPolarHBondContact O-CG2 3.21Å; G178-T182 PolarHBondContact O-N 3.36Å; G178-T182 PolarHBondContact O-OG1 2.93Å; M179-T182 WeakPolarHBondContact CA-OG1 3.09Å; M179-T182 PolarHBondContact O-N 2.97Å; M179-T182 PolarHBondContact O-OG1 3.39Å
183	V	79.2	Confident	85.6	Confident	101 Å²	101	43.9 Å²	43.9	61%	0.612	25%	0.25	S	S	*	.	H	α-helix	trans	-80.7	-41.1	179	175.3	0	0	0	0	113	M179 S181 P187	M179-V183 WeakPolarHBondContact O-CB 3.28Å; M179-V183 VanDerWaalsContact O-CG2 3.28Å; M179-V183 WeakPolarHBondContact O-CG2 3.36Å; M179-V183 PolarHBondContact O-N 2.69Å; S181-V183 VanDerWaalsContact C-N 3.28Å; S181-V183 PolarHBondContact O-N 2.95Å; V183-P187 WeakPolarHBondContact O-CD 3.23Å; V183-P187 WeakPolarHBondContact O-CG 3.34Å
184	L	84.9	Confident	85.3	Confident	65 Å²	65	44.2 Å²	44.2	34%	0.34	26%	0.261	S	S	.	.	H	α-helix	trans	-81.4	-22.6	-172.3	-72.4	-175	0	0	0	114.9	L180 M186 P187 L188	L180-L184 HydrophobicContact CD1-CD1 3.47Å; L180-L184 VanDerWaalsContact CD1-CD1 3.47Å; L180-L184 HydrophobicContact CD1-CG 3.98Å; L180-L184 HydrophobicContact CD2-CD1 4.41Å; L180-L184 HydrophobicContact CG-CD1 3.69Å; L180-L184 HydrophobicContact CG-CG 4.3Å; L180-L184 VanDerWaalsContact O-CB 3.22Å; L180-L184 WeakPolarHBondContact O-CB 3.38Å; L180-L184 VanDerWaalsContact O-CG 3.28Å; L180-L184 WeakPolarHBondContact O-CG 3.36Å; L180-L184 PolarHBondContact O-N 3.12Å; L184-M186 PolarHBondContact O-N 3.08Å; L184-P187 WeakPolarHBondContact O-CD 3.42Å; L184-L188 HydrophobicContact CB-CD1 4.21Å; L184-L188 WeakPolarHBondContact O-CB 3.24Å; L184-L188 VanDerWaalsContact O-CG 3.29Å; L184-L188 WeakPolarHBondContact O-CG 3.13Å; L184-L188 PolarHBondContact O-N 3.16Å
185	M	86.3	Confident	84.9	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-56.4	-53.1	-173.3	-174.6	60.9	153.9	0	0	112.5	N46 Y50 Y117 S181 L188 V189 F201 I205 L208	N46-M185 WeakPolarHBondContact ND2-CE 3.49Å; N46-M185 WeakPolarHBondContact ND2-CG 3.35Å; N46-M185 PolarHBondContact ND2-SD 2.82Å; N46-M185 VanDerWaalsContact ND2-SD 3.38Å; N46-M185 WeakPolarHBondContact OD1-CE 3.33Å; Y50-M185 HydrophobicContact CD2-CB 4.03Å; Y50-M185 HydrophobicContact CD2-CG 3.68Å; Y50-M185 HydrophobicContact CE2-CB 3.47Å; Y50-M185 VanDerWaalsContact CE2-CB 3.47Å; Y50-M185 HydrophobicContact CE2-CG 3.63Å; Y50-M185 HydrophobicContact CG-CG 4.22Å; Y117-M185 HydrophobicContact CE1-CE 4.03Å; S181-M185 WeakPolarHBondContact O-CB 3.17Å; S181-M185 PolarHBondContact O-N 3.23Å; M185-L188 PolarHBondContact O-N 3.04Å; M185-V189 HydrophobicContact CG-CG2 4.4Å; M185-V189 WeakPolarHBondContact O-CG2 3.1Å; M185-V189 PolarHBondContact O-N 2.86Å; M185-V189 HydrophobicContact SD-CG2 4.4Å; M185-F201 HydrophobicContact CE-CD1 3.72Å; M185-F201 HydrophobicContact CE-CE1 4.24Å; M185-I205 HydrophobicContact CE-CB 4.17Å; M185-I205 HydrophobicContact CE-CD1 4.25Å; M185-L208 HydrophobicContact SD-CD1 4.04Å
186	M	84.6	Confident	85	Confident	73 Å²	73	55.2 Å²	55.2	36%	0.36	32%	0.319	S	S	.	.	H	α-helix	trans	-65.9	-43.8	-177.7	-69.9	-61.1	-65.7	0	0	113.8	Y50 L184 L188 V189 N190 F201	Y50-M186 HydrophobicContact CE1-CG 3.86Å; Y50-M186 HydrophobicContact CE1-SD 3.93Å; L184-M186 PolarHBondContact O-N 3.08Å; M186-L188 VanDerWaalsContact C-N 3.31Å; M186-L188 PolarHBondContact O-N 3.17Å; M186-V189 PolarHBondContact O-N 3.42Å; M186-N190 PolarHBondContact O-N 2.64Å; M186-N190 PolarHBondContact O-ND2 3.11Å; M186-F201 HydrophobicContact SD-CZ 4.24Å
187	P	87.4	Confident	84.9	Confident	72 Å²	72	56.6 Å²	56.6	47%	0.468	32%	0.316	S	S	.	.	H	α-helix	trans	-53.7	-44.1	168.9	-29.1	34.6	0	0	0	113.7	V183 L184 N190 L191	V183-P187 WeakPolarHBondContact O-CD 3.23Å; V183-P187 WeakPolarHBondContact O-CG 3.34Å; L184-P187 WeakPolarHBondContact O-CD 3.42Å; P187-N190 PolarHBondContact O-N 2.69Å; P187-L191 VanDerWaalsContact O-CB 3.28Å; P187-L191 WeakPolarHBondContact O-CB 3.5Å; P187-L191 PolarHBondContact O-N 2.81Å
188	L	89.7	Confident	85	Confident	29 Å²	29	58.2 Å²	58.2	15%	0.152	33%	0.327	C	S	.	.	H	α-helix	trans	-66.7	-41.6	178.1	-71.9	170.5	0	0	0	112.2	L184 M185 M186 N190 L191 I192 V207 L208	L184-L188 HydrophobicContact CB-CD1 4.21Å; L184-L188 WeakPolarHBondContact O-CB 3.24Å; L184-L188 VanDerWaalsContact O-CG 3.29Å; L184-L188 WeakPolarHBondContact O-CG 3.13Å; L184-L188 PolarHBondContact O-N 3.16Å; M185-L188 PolarHBondContact O-N 3.04Å; M186-L188 VanDerWaalsContact C-N 3.31Å; M186-L188 PolarHBondContact O-N 3.17Å; L188-N190 VanDerWaalsContact C-N 3.3Å; L188-N190 PolarHBondContact O-N 3Å; L188-L191 PolarHBondContact O-N 2.89Å; L188-I192 HydrophobicContact CB-CD1 4.49Å; L188-I192 WeakPolarHBondContact O-CB 3.29Å; L188-I192 WeakPolarHBondContact O-CG1 3.33Å; L188-I192 PolarHBondContact O-N 3.47Å; L188-V207 HydrophobicContact CD1-CB 4.48Å; L188-V207 HydrophobicContact CD1-CG1 4.33Å; L188-V207 HydrophobicContact CD2-CG1 4.38Å; L188-L208 HydrophobicContact CD1-CD1 4.44Å; L188-L208 HydrophobicContact CD1-CD2 4.01Å; L188-L208 HydrophobicContact CD1-CG 3.95Å
189	V	87.2	Confident	85.4	Confident	1 Å²	1	62 Å²	62	1%	0.006	35%	0.345	C	S	.	.	H	α-helix	trans	-56.8	-47.2	175.3	169.3	0	0	0	0	110.6	M185 M186 G193 K197 G200 F201	M185-V189 HydrophobicContact CG-CG2 4.4Å; M185-V189 WeakPolarHBondContact O-CG2 3.1Å; M185-V189 PolarHBondContact O-N 2.86Å; M185-V189 HydrophobicContact SD-CG2 4.4Å; M186-V189 PolarHBondContact O-N 3.42Å; V189-G193 WeakPolarHBondContact O-CA 3.31Å; V189-G193 PolarHBondContact O-N 3.36Å; V189-K197 HydrophobicContact CG1-CD 4.17Å; V189-G200 WeakPolarHBondContact CA-O 3.23Å; V189-G200 WeakPolarHBondContact O-CA 3.49Å; V189-F201 HydrophobicContact CG1-CD2 4.06Å; V189-F201 HydrophobicContact CG1-CE2 4.09Å; V189-F201 HydrophobicContact CG2-CD1 3.85Å; V189-F201 HydrophobicContact CG2-CD2 4.24Å; V189-F201 HydrophobicContact CG2-CE1 4.03Å; V189-F201 HydrophobicContact CG2-CE2 4.41Å; V189-F201 HydrophobicContact CG2-CG 3.95Å; V189-F201 HydrophobicContact CG2-CZ 4.31Å
190	N	87	Confident	85.9	Confident	82 Å²	82	59.5 Å²	59.5	44%	0.439	33%	0.333	S	S	.	.	H	α-helix	trans	-70.5	-38.3	-179.4	-67.7	-24.4	0	0	0	112.1	M186 P187 L188 G194 K197	M186-N190 PolarHBondContact O-N 2.64Å; M186-N190 PolarHBondContact O-ND2 3.11Å; P187-N190 PolarHBondContact O-N 2.69Å; L188-N190 VanDerWaalsContact C-N 3.3Å; L188-N190 PolarHBondContact O-N 3Å; N190-G194 WeakPolarHBondContact O-CA 3.09Å; N190-G194 PolarHBondContact O-N 3.45Å; N190-G194 VanDerWaalsContact O-N 3.15Å; N190-K197 PolarHBondContact OD1-NZ 2.95Å
191	L	90.7	Very high	86.4	Confident	144 Å²	144	56 Å²	56	75%	0.754	32%	0.315	S	S	*	.	H	α-helix	trans	-67.9	-42.3	179.7	-177	67.5	0	0	0	112.5	P187 L188	P187-L191 VanDerWaalsContact O-CB 3.28Å; P187-L191 WeakPolarHBondContact O-CB 3.5Å; P187-L191 PolarHBondContact O-N 2.81Å; L188-L191 PolarHBondContact O-N 2.89Å
192	I	92.4	Very high	87.2	Confident	66 Å²	66	59.1 Å²	59.1	34%	0.338	33%	0.329	S	S	.	.	H	α-helix	trans	-88.4	-43	-173.5	-60.9	167.2	0	0	0	111.5	L188 G203 V207	L188-I192 HydrophobicContact CB-CD1 4.49Å; L188-I192 WeakPolarHBondContact O-CB 3.29Å; L188-I192 WeakPolarHBondContact O-CG1 3.33Å; L188-I192 PolarHBondContact O-N 3.47Å; I192-G203 VanDerWaalsContact CD1-C 3.47Å; I192-V207 HydrophobicContact CD1-CG2 3.99Å
193	G	85.2	Confident	88.1	Confident	11 Å²	11	57.5 Å²	57.5	11%	0.113	32%	0.322	C	S	.	.	H	α-helix	trans	-90.8	-23.8	-173.9	0	0	0	0	0	114.5	V189 D195 N196 G200	V189-G193 WeakPolarHBondContact O-CA 3.31Å; V189-G193 PolarHBondContact O-N 3.36Å; G193-D195 PolarHBondContact O-N 3.42Å; G193-D195 VanDerWaalsContact O-N 3.1Å; G193-N196 WeakPolarHBondContact CA-O 3.48Å; G193-N196 WeakPolarHBondContact O-CA 3.48Å; G193-N196 WeakPolarHBondContact O-CB 3.48Å; G193-N196 PolarHBondContact O-N 2.86Å; G193-G200 VanDerWaalsContact CA-CA 3.49Å
194	G	86.9	Confident	88.8	Confident	37 Å²	37	52.7 Å²	52.7	38%	0.381	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	-116.2	-166.5	0	0	0	0	0	110.8	N190	N190-G194 WeakPolarHBondContact O-CA 3.09Å; N190-G194 PolarHBondContact O-N 3.45Å; N190-G194 VanDerWaalsContact O-N 3.15Å
195	D	84.1	Confident	89.1	Confident	166 Å²	166	49.6 Å²	49.6	89%	0.888	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-20.7	175.9	-61.7	-35.3	0	0	0	113.4	G193 K197	G193-D195 PolarHBondContact O-N 3.42Å; G193-D195 VanDerWaalsContact O-N 3.1Å; D195-K197 PolarHBondContact O-N 3.39Å
196	N	88.5	Confident	89.5	Confident	85 Å²	85	51.1 Å²	51.1	46%	0.455	29%	0.289	S	S	.	.			trans	-81.3	84.2	175.6	-170.9	-25.9	0	0	0	110.3	G193 P198 L199 G200	G193-N196 WeakPolarHBondContact CA-O 3.48Å; G193-N196 WeakPolarHBondContact O-CA 3.48Å; G193-N196 WeakPolarHBondContact O-CB 3.48Å; G193-N196 PolarHBondContact O-N 2.86Å; N196-P198 VanDerWaalsContact OD1-CD 3.23Å; N196-P198 WeakPolarHBondContact OD1-CD 3.48Å; N196-L199 HydrophobicContact CB-CB 4.1Å; N196-L199 PolarHBondContact O-N 3.5Å; N196-L199 PolarHBondContact OD1-N 2.81Å; N196-G200 PolarHBondContact O-N 3.02Å
197	K	85.4	Confident	89.9	Confident	73 Å²	73	50.7 Å²	50.7	32%	0.317	29%	0.291	S	S	.	.	H	α-helix	trans	-57	-42.6	179.3	-62	-58.7	-175.3	-160.6	0	113.9	I58 V189 N190 D195 L199 G200 F201	I58-K197 HydrophobicContact CD1-CB 3.81Å; V189-K197 HydrophobicContact CG1-CD 4.17Å; N190-K197 PolarHBondContact OD1-NZ 2.95Å; D195-K197 PolarHBondContact O-N 3.39Å; K197-L199 PolarHBondContact O-N 2.93Å; K197-G200 PolarHBondContact O-N 2.83Å; K197-G200 VanDerWaalsContact O-N 3.17Å; K197-F201 WeakPolarHBondContact O-CD2 3.45Å; K197-F201 PolarHBondContact O-N 2.86Å
198	P	90.3	Very high	90.2	Very high	38 Å²	38	47.4 Å²	47.4	25%	0.247	27%	0.269	C	S	.	.	H	α-helix	trans	-53.6	-49.6	173	-26.2	30.8	0	0	0	113.5	I58 T119 N196 G200 F201 Q202	I58-P198 HydrophobicContact CG2-CB 4.06Å; I58-P198 HydrophobicContact CG2-CG 3.7Å; T119-P198 HydrophobicContact CG2-CB 4.06Å; N196-P198 VanDerWaalsContact OD1-CD 3.23Å; N196-P198 WeakPolarHBondContact OD1-CD 3.48Å; P198-G200 VanDerWaalsContact C-N 3.32Å; P198-G200 PolarHBondContact O-N 2.93Å; P198-F201 PolarHBondContact O-N 2.91Å; P198-Q202 WeakPolarHBondContact O-CB 3.48Å; P198-Q202 PolarHBondContact O-N 2.93Å
199	L	91	Very high	90.3	Very high	83 Å²	83	46.3 Å²	46.3	44%	0.435	26%	0.264	S	S	.	.	H	α-helix	trans	-64.8	-37.7	177.5	-175.1	67.2	0	0	0	111.7	N196 K197 G203	N196-L199 HydrophobicContact CB-CB 4.1Å; N196-L199 PolarHBondContact O-N 3.5Å; N196-L199 PolarHBondContact OD1-N 2.81Å; K197-L199 PolarHBondContact O-N 2.93Å; L199-G203 PolarHBondContact O-N 2.95Å
200	G	92.5	Very high	90.7	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-62	-47.4	177.1	0	0	0	0	0	113	V189 G193 N196 K197 P198 G204	V189-G200 WeakPolarHBondContact CA-O 3.23Å; V189-G200 WeakPolarHBondContact O-CA 3.49Å; G193-G200 VanDerWaalsContact CA-CA 3.49Å; N196-G200 PolarHBondContact O-N 3.02Å; K197-G200 PolarHBondContact O-N 2.83Å; K197-G200 VanDerWaalsContact O-N 3.17Å; P198-G200 VanDerWaalsContact C-N 3.32Å; P198-G200 PolarHBondContact O-N 2.93Å; G200-G204 PolarHBondContact O-N 2.95Å
201	F	91.5	Very high	91	Very high	3 Å²	3	49.6 Å²	49.6	1%	0.013	29%	0.287	C	S	.	.	H	α-helix	trans	-64.9	-45.6	176.7	-86	-79.3	0	0	0	112.2	Y50 F53 F54 I58 Y117 M185 M186 V189 K197 P198 G203 G204 I205	Y50-F201 HydrophobicContact CD1-CE1 4.28Å; Y50-F201 HydrophobicContact CG-CE1 4.45Å; F53-F201 HydrophobicContact CD1-CE2 4.46Å; F53-F201 AromaticContact CD1-CZ 3.99Å; F53-F201 HydrophobicContact CD1-CZ 3.99Å; F53-F201 HydrophobicContact CE1-CE2 4.1Å; F53-F201 AromaticContact CE1-CZ 3.94Å; F53-F201 HydrophobicContact CE1-CZ 3.94Å; F54-F201 HydrophobicContact CD2-CB 3.72Å; F54-F201 HydrophobicContact CD2-CD1 4.31Å; F54-F201 HydrophobicContact CD2-CD2 4.23Å; F54-F201 AromaticContact CD2-CG 3.84Å; F54-F201 HydrophobicContact CD2-CG 3.84Å; F54-F201 HydrophobicContact CE2-CB 3.81Å; F54-F201 HydrophobicContact CE2-CG 4.4Å; I58-F201 HydrophobicContact CD1-CD2 4.45Å; I58-F201 HydrophobicContact CD1-CE2 4.18Å; I58-F201 HydrophobicContact CG1-CD2 4.04Å; I58-F201 HydrophobicContact CG1-CE2 3.97Å; Y117-F201 HydrophobicContact CD1-CB 4.1Å; Y117-F201 HydrophobicContact CD1-CD1 4.29Å; Y117-F201 HydrophobicContact CE1-CD1 4.01Å; M185-F201 HydrophobicContact CE-CD1 3.72Å; M185-F201 HydrophobicContact CE-CE1 4.24Å; M186-F201 HydrophobicContact SD-CZ 4.24Å; V189-F201 HydrophobicContact CG1-CD2 4.06Å; V189-F201 HydrophobicContact CG1-CE2 4.09Å; V189-F201 HydrophobicContact CG2-CD1 3.85Å; V189-F201 HydrophobicContact CG2-CD2 4.24Å; V189-F201 HydrophobicContact CG2-CE1 4.03Å; V189-F201 HydrophobicContact CG2-CE2 4.41Å; V189-F201 HydrophobicContact CG2-CG 3.95Å; V189-F201 HydrophobicContact CG2-CZ 4.31Å; K197-F201 WeakPolarHBondContact O-CD2 3.45Å; K197-F201 PolarHBondContact O-N 2.86Å; P198-F201 PolarHBondContact O-N 2.91Å; F201-G203 PolarHBondContact O-N 2.96Å; F201-G204 PolarHBondContact O-N 3.25Å; F201-I205 PolarHBondContact O-N 3.39Å
202	Q	93.6	Very high	91.1	Very high	64 Å²	64	42.8 Å²	42.8	30%	0.299	25%	0.251	S	S	.	.	H	α-helix	trans	-61.3	-45	177.5	-167.3	-173.6	32.6	0	0	111.7	V114 S118 P198 I205 A206	V114-Q202 HydrophobicContact CG1-CG 4.05Å; S118-Q202 PolarHBondContact OG-NE2 3.01Å; P198-Q202 WeakPolarHBondContact O-CB 3.48Å; P198-Q202 PolarHBondContact O-N 2.93Å; Q202-I205 WeakPolarHBondContact O-CG2 3.1Å; Q202-A206 WeakPolarHBondContact O-CB 3.48Å; Q202-A206 PolarHBondContact O-N 3.11Å
203	G	92.6	Very high	91.2	Very high	15 Å²	15	42.7 Å²	42.7	16%	0.155	25%	0.249	C	C	.	.	H	α-helix	trans	-68.4	-42.1	178.2	0	0	0	0	0	113	I192 L199 F201 A206 V207	I192-G203 VanDerWaalsContact CD1-C 3.47Å; L199-G203 PolarHBondContact O-N 2.95Å; F201-G203 PolarHBondContact O-N 2.96Å; G203-A206 PolarHBondContact O-N 3.03Å; G203-V207 PolarHBondContact O-N 3.14Å; G203-V207 VanDerWaalsContact O-N 3.07Å
204	G	92.6	Very high	91.6	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61.1	-47.2	178.3	0	0	0	0	0	112.1	G200 F201 A206 V207 L208	G200-G204 PolarHBondContact O-N 2.95Å; F201-G204 PolarHBondContact O-N 3.25Å; G204-A206 VanDerWaalsContact C-N 3.32Å; G204-A206 PolarHBondContact O-N 3.45Å; G204-V207 PolarHBondContact O-N 2.74Å; G204-L208 WeakPolarHBondContact O-CG 3.5Å; G204-L208 PolarHBondContact O-N 3.22Å; G204-L208 VanDerWaalsContact O-N 3.13Å
205	I	92.5	Very high	92	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-70.3	-29.4	177.2	-157.8	63.7	0	0	0	112.3	N46 C113 V114 Y117 M185 F201 Q202 L208 S209	N46-I205 HydrophobicContact CB-CD1 4.44Å; C113-I205 VanDerWaalsContact SG-CG1 3.58Å; V114-I205 HydrophobicContact CG2-CG2 4.39Å; Y117-I205 HydrophobicContact CD2-CB 3.96Å; Y117-I205 HydrophobicContact CD2-CD1 4.49Å; Y117-I205 HydrophobicContact CD2-CG1 3.74Å; Y117-I205 HydrophobicContact CD2-CG2 3.78Å; Y117-I205 HydrophobicContact CE2-CB 4.36Å; Y117-I205 HydrophobicContact CE2-CD1 4.13Å; Y117-I205 HydrophobicContact CE2-CG1 3.88Å; Y117-I205 HydrophobicContact CG-CB 4.28Å; Y117-I205 HydrophobicContact CG-CG2 3.85Å; M185-I205 HydrophobicContact CE-CB 4.17Å; M185-I205 HydrophobicContact CE-CD1 4.25Å; F201-I205 PolarHBondContact O-N 3.39Å; Q202-I205 WeakPolarHBondContact O-CG2 3.1Å; I205-L208 HydrophobicContact CD1-CB 4.43Å; I205-L208 HydrophobicContact CD1-CD1 4.46Å; I205-L208 PolarHBondContact O-N 3.38Å; I205-S209 WeakPolarHBondContact O-CB 3.41Å; I205-S209 PolarHBondContact O-N 2.81Å; I205-S209 PolarHBondContact O-OG 3.45Å
206	A	93.5	Very high	92.5	Very high	31 Å²	31	39.9 Å²	39.9	26%	0.256	22%	0.219	S	C	.	.	H	α-helix	trans	-63.3	-44.5	175	0	0	0	0	0	111.3	V114 Q202 G203 G204 S209 V210	V114-A206 HydrophobicContact CG1-CB 4.45Å; V114-A206 HydrophobicContact CG2-CB 3.9Å; Q202-A206 WeakPolarHBondContact O-CB 3.48Å; Q202-A206 PolarHBondContact O-N 3.11Å; G203-A206 PolarHBondContact O-N 3.03Å; G204-A206 VanDerWaalsContact C-N 3.32Å; G204-A206 PolarHBondContact O-N 3.45Å; A206-S209 PolarHBondContact O-N 2.89Å; A206-V210 WeakPolarHBondContact O-CG2 3.35Å; A206-V210 PolarHBondContact O-N 3.32Å
207	V	94	Very high	92.8	Very high	65 Å²	65	36.4 Å²	36.4	39%	0.394	20%	0.202	S	C	.	.	H	α-helix	trans	-60.1	-49	174.1	173	0	0	0	0	110.8	L188 I192 G203 G204 S209 V210 V211	L188-V207 HydrophobicContact CD1-CB 4.48Å; L188-V207 HydrophobicContact CD1-CG1 4.33Å; L188-V207 HydrophobicContact CD2-CG1 4.38Å; I192-V207 HydrophobicContact CD1-CG2 3.99Å; G203-V207 PolarHBondContact O-N 3.14Å; G203-V207 VanDerWaalsContact O-N 3.07Å; G204-V207 PolarHBondContact O-N 2.74Å; V207-S209 VanDerWaalsContact C-N 3.32Å; V207-S209 PolarHBondContact O-N 3.39Å; V207-V210 PolarHBondContact O-N 3.09Å; V207-V211 WeakPolarHBondContact O-CG2 3.33Å; V207-V211 PolarHBondContact O-N 3.34Å; V207-V211 VanDerWaalsContact O-N 3.07Å
208	L	92.9	Very high	93.2	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.016	20%	0.204	C	C	.	.	H	α-helix	trans	-64.4	-35.2	179.6	-67.6	178.3	0	0	0	112.7	I42 M185 L188 G204 I205 V211 A212	I42-L208 HydrophobicContact CG2-CB 3.88Å; I42-L208 HydrophobicContact CG2-CD2 4.3Å; I42-L208 HydrophobicContact CG2-CG 4.47Å; M185-L208 HydrophobicContact SD-CD1 4.04Å; L188-L208 HydrophobicContact CD1-CD1 4.44Å; L188-L208 HydrophobicContact CD1-CD2 4.01Å; L188-L208 HydrophobicContact CD1-CG 3.95Å; G204-L208 WeakPolarHBondContact O-CG 3.5Å; G204-L208 PolarHBondContact O-N 3.22Å; G204-L208 VanDerWaalsContact O-N 3.13Å; I205-L208 HydrophobicContact CD1-CB 4.43Å; I205-L208 HydrophobicContact CD1-CD1 4.46Å; I205-L208 PolarHBondContact O-N 3.38Å; L208-V211 PolarHBondContact O-N 3.44Å; L208-A212 WeakPolarHBondContact O-CB 3.35Å; L208-A212 PolarHBondContact O-N 2.86Å
209	S	93	Very high	93.4	Very high	6 Å²	6	35 Å²	35	4%	0.042	19%	0.193	C	C	.	.	H	α-helix	trans	-67.8	-37.8	176.9	-62.4	0	0	0	0	111.9	I205 A206 V207 A212 F213	I205-S209 WeakPolarHBondContact O-CB 3.41Å; I205-S209 PolarHBondContact O-N 2.81Å; I205-S209 PolarHBondContact O-OG 3.45Å; A206-S209 PolarHBondContact O-N 2.89Å; V207-S209 VanDerWaalsContact C-N 3.32Å; V207-S209 PolarHBondContact O-N 3.39Å; S209-A212 PolarHBondContact O-N 3.28Å; S209-F213 WeakPolarHBondContact O-CB 3.3Å; S209-F213 PolarHBondContact O-N 3.45Å
210	V	93.8	Very high	93.6	Very high	94 Å²	94	31.4 Å²	31.4	57%	0.57	17%	0.173	S	C	*	.	H	α-helix	trans	-64.8	-43.2	173.1	171.3	0	0	0	0	110.6	A206 V207 F213 M214	A206-V210 WeakPolarHBondContact O-CG2 3.35Å; A206-V210 PolarHBondContact O-N 3.32Å; V207-V210 PolarHBondContact O-N 3.09Å; V210-F213 PolarHBondContact O-N 2.77Å; V210-M214 WeakPolarHBondContact O-CG 3.22Å; V210-M214 PolarHBondContact O-N 3.44Å
211	V	93.2	Very high	93.6	Very high	57 Å²	57	38.4 Å²	38.4	35%	0.345	20%	0.204	S	C	.	.	H	α-helix	trans	-60.3	-47.7	175.6	173.5	0	0	0	0	110.7	I42 V207 L208 F213 M214 M215	I42-V211 HydrophobicContact CD1-CG1 4.24Å; V207-V211 WeakPolarHBondContact O-CG2 3.33Å; V207-V211 PolarHBondContact O-N 3.34Å; V207-V211 VanDerWaalsContact O-N 3.07Å; L208-V211 PolarHBondContact O-N 3.44Å; V211-F213 PolarHBondContact O-N 3.03Å; V211-M214 PolarHBondContact O-N 2.8Å; V211-M215 HydrophobicContact CG1-SD 3.96Å; V211-M215 WeakPolarHBondContact O-CG 3.24Å; V211-M215 PolarHBondContact O-N 2.81Å
212	A	93.3	Very high	93.7	Very high	2 Å²	2	39.3 Å²	39.3	2%	0.017	21%	0.21	C	C	.	.	H	α-helix	trans	-60.8	-41.6	177.3	0	0	0	0	0	112.3	A39 I43 L208 S209 M214 M215 L216	A39-A212 HydrophobicContact CB-CB 4.01Å; A39-A212 WeakPolarHBondContact CB-O 3.46Å; I43-A212 HydrophobicContact CD1-CB 4Å; I43-A212 HydrophobicContact CG1-CB 4.4Å; L208-A212 WeakPolarHBondContact O-CB 3.35Å; L208-A212 PolarHBondContact O-N 2.86Å; S209-A212 PolarHBondContact O-N 3.28Å; A212-M214 PolarHBondContact O-N 2.61Å; A212-M215 PolarHBondContact O-N 2.81Å; A212-L216 WeakPolarHBondContact O-CG 3.34Å; A212-L216 PolarHBondContact O-N 3.45Å
213	F	94.3	Very high	93.6	Very high	64 Å²	64	36.5 Å²	36.5	28%	0.281	20%	0.197	S	C	.	.	H	α-helix	trans	-60.7	-45.5	175.2	176.7	-95.2	0	0	0	112	A106 L107 S209 V210 V211 M215 L216 A217	A106-F213 HydrophobicContact CB-CD2 3.76Å; A106-F213 HydrophobicContact CB-CE2 4.11Å; L107-F213 HydrophobicContact CB-CD2 4.47Å; L107-F213 HydrophobicContact CB-CE2 3.98Å; L107-F213 HydrophobicContact CD1-CE2 4.42Å; S209-F213 WeakPolarHBondContact O-CB 3.3Å; S209-F213 PolarHBondContact O-N 3.45Å; V210-F213 PolarHBondContact O-N 2.77Å; V211-F213 PolarHBondContact O-N 3.03Å; F213-M215 VanDerWaalsContact C-N 3.28Å; F213-M215 PolarHBondContact O-N 3.1Å; F213-L216 PolarHBondContact O-N 3.05Å; F213-A217 WeakPolarHBondContact O-CB 3.27Å; F213-A217 PolarHBondContact O-N 3.45Å
214	M	94.6	Very high	93.5	Very high	121 Å²	121	42 Å²	42	60%	0.596	22%	0.217	S	C	*	.	H	α-helix	trans	-62.2	-37.1	177.9	-69.7	-65.3	-71.5	0	0	111.9	V210 V211 A212 F218	V210-M214 WeakPolarHBondContact O-CG 3.22Å; V210-M214 PolarHBondContact O-N 3.44Å; V211-M214 PolarHBondContact O-N 2.8Å; A212-M214 PolarHBondContact O-N 2.61Å; M214-F218 WeakPolarHBondContact O-CB 3.32Å; M214-F218 PolarHBondContact O-N 2.99Å
215	M	95.1	Very high	93.3	Very high	31 Å²	31	43.6 Å²	43.6	15%	0.153	22%	0.224	C	C	.	.	H	α-helix	trans	-67.4	-42	175.3	-70	170.1	105.6	0	0	112.5	M35 A38 A39 I42 V211 A212 F213 F218 C219	M35-M215 HydrophobicContact CB-CB 4.28Å; M35-M215 HydrophobicContact SD-CE 3.29Å; M35-M215 WeakPolarHBondContact SD-CE 3.48Å; M35-M215 HydrophobicContact SD-CG 4.32Å; A38-M215 HydrophobicContact CB-CE 3.55Å; A39-M215 HydrophobicContact CB-CB 3.79Å; A39-M215 HydrophobicContact CB-SD 4.44Å; I42-M215 HydrophobicContact CD1-CE 4.34Å; I42-M215 HydrophobicContact CD1-SD 3.63Å; V211-M215 HydrophobicContact CG1-SD 3.96Å; V211-M215 WeakPolarHBondContact O-CG 3.24Å; V211-M215 PolarHBondContact O-N 2.81Å; A212-M215 PolarHBondContact O-N 2.81Å; F213-M215 VanDerWaalsContact C-N 3.28Å; F213-M215 PolarHBondContact O-N 3.1Å; M215-F218 WeakPolarHBondContact O-CB 3.24Å; M215-F218 PolarHBondContact O-N 2.85Å; M215-C219 PolarHBondContact O-N 3.15Å
216	L	94.4	Very high	92.9	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.016	24%	0.239	C	C	.	.	H	α-helix	trans	-66.8	-40.4	175	-72.5	164.7	0	0	0	112	A39 V102 A106 V145 A212 F213 F218 C219 F220	A39-L216 HydrophobicContact CB-CD1 4.22Å; A39-L216 HydrophobicContact CB-CD2 4.18Å; A39-L216 HydrophobicContact CB-CG 3.7Å; V102-L216 HydrophobicContact CG1-CB 4.42Å; V102-L216 HydrophobicContact CG1-CD2 3.85Å; A106-L216 HydrophobicContact CB-CB 4.02Å; A106-L216 HydrophobicContact CB-CD1 3.59Å; A106-L216 HydrophobicContact CB-CG 4.43Å; V145-L216 HydrophobicContact CG1-CD1 4.05Å; V145-L216 HydrophobicContact CG1-CD2 3.94Å; A212-L216 WeakPolarHBondContact O-CG 3.34Å; A212-L216 PolarHBondContact O-N 3.45Å; F213-L216 PolarHBondContact O-N 3.05Å; L216-F218 VanDerWaalsContact C-N 3.34Å; L216-C219 WeakPolarHBondContact O-CB 3.32Å; L216-C219 PolarHBondContact O-N 2.77Å; L216-F220 PolarHBondContact O-N 2.56Å
217	A	94	Very high	91.9	Very high	12 Å²	12	47.3 Å²	47.3	10%	0.099	23%	0.234	C	C	.	.	H	α-helix	trans	-62.3	-43.3	173.2	0	0	0	0	0	111.1	L103 F213 C219 F220 F221	L103-A217 HydrophobicContact CD1-CB 4.17Å; F213-A217 WeakPolarHBondContact O-CB 3.27Å; F213-A217 PolarHBondContact O-N 3.45Å; A217-C219 PolarHBondContact O-N 2.97Å; A217-F220 WeakPolarHBondContact O-CB 3.13Å; A217-F220 PolarHBondContact O-N 2.98Å; A217-F221 WeakPolarHBondContact O-CD2 3.49Å; A217-F221 PolarHBondContact O-N 3.07Å
218	F	95.1	Very high	90.5	Very high	82 Å²	82	52.6 Å²	52.6	36%	0.36	26%	0.255	S	S	.	.	H	α-helix	trans	-59.9	-44.9	174.1	-176.2	-103.9	0	0	0	111.7	I31 M35 M214 M215 L216 F220 F221 T222	I31-F218 HydrophobicContact CG2-CE1 4.24Å; M35-F218 HydrophobicContact CB-CD1 4.23Å; M35-F218 HydrophobicContact CG-CD1 4.06Å; M35-F218 HydrophobicContact CG-CE1 4.36Å; M214-F218 WeakPolarHBondContact O-CB 3.32Å; M214-F218 PolarHBondContact O-N 2.99Å; M215-F218 WeakPolarHBondContact O-CB 3.24Å; M215-F218 PolarHBondContact O-N 2.85Å; L216-F218 VanDerWaalsContact C-N 3.34Å; F218-F220 VanDerWaalsContact C-N 3.34Å; F218-F220 PolarHBondContact O-N 3.44Å; F218-F221 PolarHBondContact O-N 3.43Å; F218-T222 HydrophobicContact CD1-CG2 4.34Å; F218-T222 HydrophobicContact CD2-CG2 3.93Å; F218-T222 HydrophobicContact CE1-CG2 4.03Å; F218-T222 HydrophobicContact CE2-CG2 3.59Å; F218-T222 HydrophobicContact CG-CG2 4.3Å; F218-T222 HydrophobicContact CZ-CG2 3.65Å; F218-T222 WeakPolarHBondContact O-CB 3.34Å; F218-T222 WeakPolarHBondContact O-CG2 3.29Å; F218-T222 PolarHBondContact O-N 2.92Å; F218-T222 PolarHBondContact O-OG1 2.78Å
219	C	95.1	Very high	88.9	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-55.5	-48	173.2	178.3	0	0	0	0	111.5	G32 M215 L216 A217 F221 T222 T223	G32-C219 VanDerWaalsContact O-CA 3.28Å; G32-C219 WeakPolarHBondContact O-CA 3.2Å; G32-C219 WeakPolarHBondContact O-CB 3.34Å; M215-C219 PolarHBondContact O-N 3.15Å; L216-C219 WeakPolarHBondContact O-CB 3.32Å; L216-C219 PolarHBondContact O-N 2.77Å; A217-C219 PolarHBondContact O-N 2.97Å; C219-F221 PolarHBondContact O-N 3.17Å; C219-T222 PolarHBondContact O-N 2.68Å; C219-T223 WeakPolarHBondContact O-CB 3.48Å; C219-T223 WeakPolarHBondContact O-CG2 3.38Å; C219-T223 PolarHBondContact O-N 2.86Å; C219-T223 VanDerWaalsContact O-N 3.08Å; C219-T223 PolarHBondContact O-OG1 3.18Å
220	F	94.1	Very high	87	Confident	7 Å²	7	56.2 Å²	56.2	3%	0.031	28%	0.28	C	S	.	.	H	α-helix	trans	-56.9	-48.6	177.5	173.2	-93.6	0	0	0	112.3	W95 R99 L103 L216 A217 F218 T222	W95-F220 HydrophobicContact CB-CE2 4.18Å; W95-F220 HydrophobicContact CB-CZ 4.26Å; W95-F220 HydrophobicContact CD2-CZ 4Å; W95-F220 HydrophobicContact CG-CE2 4.28Å; W95-F220 AromaticContact CG-CZ 3.89Å; W95-F220 HydrophobicContact CG-CZ 3.89Å; R99-F220 HydrophobicContact CB-CD2 3.81Å; R99-F220 HydrophobicContact CB-CE2 3.86Å; R99-F220 PolarHBondContact NE-O 3.2Å; R99-F220 PolarHBondContact NH2-O 3.36Å; R99-F220 VanDerWaalsContact O-CD2 3.29Å; R99-F220 WeakPolarHBondContact O-CD2 3.33Å; L103-F220 HydrophobicContact CB-CB 4.26Å; L103-F220 HydrophobicContact CB-CD2 3.83Å; L103-F220 HydrophobicContact CB-CE2 4.3Å; L103-F220 HydrophobicContact CB-CG 3.95Å; L103-F220 HydrophobicContact CD2-CD1 3.86Å; L103-F220 HydrophobicContact CD2-CD2 4.32Å; L103-F220 HydrophobicContact CD2-CE1 3.83Å; L103-F220 HydrophobicContact CD2-CE2 4.28Å; L103-F220 HydrophobicContact CD2-CG 4.11Å; L103-F220 HydrophobicContact CD2-CZ 4.04Å; L103-F220 HydrophobicContact CG-CG 4.44Å; L216-F220 PolarHBondContact O-N 2.56Å; A217-F220 WeakPolarHBondContact O-CB 3.13Å; A217-F220 PolarHBondContact O-N 2.98Å; F218-F220 VanDerWaalsContact C-N 3.34Å; F218-F220 PolarHBondContact O-N 3.44Å; F220-T222 PolarHBondContact O-N 2.77Å
221	F	93.4	Very high	85.1	Confident	147 Å²	147	55.4 Å²	55.4	65%	0.645	28%	0.277	S	S	*	.	H	α-helix	trans	-75.3	-21.9	-175.3	-73	-63.8	0	0	0	114.3	A217 F218 C219	A217-F221 WeakPolarHBondContact O-CD2 3.49Å; A217-F221 PolarHBondContact O-N 3.07Å; F218-F221 PolarHBondContact O-N 3.43Å; C219-F221 PolarHBondContact O-N 3.17Å
222	T	93.3	Very high	83.3	Confident	22 Å²	22	54.6 Å²	54.6	14%	0.135	27%	0.271	C	S	.	.	H	α-helix	trans	-102.1	-14.7	-175	54.6	0	0	0	0	114.4	K28 E29 G32 F218 C219 F220	K28-T222 HydrophobicContact CG-CG2 4.36Å; E29-T222 WeakPolarHBondContact CG-O 3.48Å; G32-T222 WeakPolarHBondContact CA-OG1 3.22Å; F218-T222 HydrophobicContact CD1-CG2 4.34Å; F218-T222 HydrophobicContact CD2-CG2 3.93Å; F218-T222 HydrophobicContact CE1-CG2 4.03Å; F218-T222 HydrophobicContact CE2-CG2 3.59Å; F218-T222 HydrophobicContact CG-CG2 4.3Å; F218-T222 HydrophobicContact CZ-CG2 3.65Å; F218-T222 WeakPolarHBondContact O-CB 3.34Å; F218-T222 WeakPolarHBondContact O-CG2 3.29Å; F218-T222 PolarHBondContact O-N 2.92Å; F218-T222 PolarHBondContact O-OG1 2.78Å; C219-T222 PolarHBondContact O-N 2.68Å; F220-T222 PolarHBondContact O-N 2.77Å
223	T	92	Very high	81.7	Confident	4 Å²	4	61.2 Å²	61.2	3%	0.025	31%	0.312	C	S	.	.			trans	-100	150.1	176.4	58.8	0	0	0	0	111.9	E29 R99 I156 C219	E29-T223 HydrophobicContact CG-CG2 4.49Å; R99-T223 PolarHBondContact NE-O 2.82Å; R99-T223 PolarHBondContact NH2-O 3.48Å; R99-T223 VanDerWaalsContact NH2-O 3.1Å; I156-T223 HydrophobicContact CD1-CG2 3.93Å; C219-T223 WeakPolarHBondContact O-CB 3.48Å; C219-T223 WeakPolarHBondContact O-CG2 3.38Å; C219-T223 PolarHBondContact O-N 2.86Å; C219-T223 VanDerWaalsContact O-N 3.08Å; C219-T223 PolarHBondContact O-OG1 3.18Å
224	K	89	Confident	80.3	Confident	132 Å²	132	59.7 Å²	59.7	57%	0.574	31%	0.308	S	S	*	.			trans	-132.3	133	174.1	-166.4	178.6	179.7	-172.7	0	110.5	E29 R226	E29-K224 PolarHBondContact OE1-N 3.18Å; K224-R226 PolarHBondContact O-NH1 3.48Å
225	E	88.8	Confident	79.3	Confident	33 Å²	33	56.6 Å²	56.6	15%	0.154	30%	0.298	C	S	.	.			trans	-76.2	123.4	169.5	-64.1	-176.7	-144	0	0	108.4	G96 K97 F98 R99 L152 V155	G96-E225 VanDerWaalsContact CA-CD 3.49Å; G96-E225 WeakPolarHBondContact CA-OE2 3.39Å; K97-E225 VanDerWaalsContact N-CD 3.34Å; K97-E225 PolarHBondContact N-OE1 2.87Å; K97-E225 PolarHBondContact N-OE2 3.03Å; F98-E225 WeakPolarHBondContact CA-OE1 3.35Å; F98-E225 PolarHBondContact N-OE1 3.2Å; R99-E225 HydrophobicContact CG-CG 4.13Å; R99-E225 WeakPolarHBondContact CG-OE1 3.45Å; R99-E225 PolarHBondContact N-OE1 3.22Å; L152-E225 HydrophobicContact CD1-CG 3.5Å; L152-E225 VanDerWaalsContact CD1-CG 3.5Å; V155-E225 HydrophobicContact CG2-CB 4.27Å; V155-E225 HydrophobicContact CG2-CG 3.78Å
226	R	84	Confident	78.1	Confident	84 Å²	84	59.5 Å²	59.5	32%	0.317	31%	0.313	S	S	.	.			trans	-118.1	-29	-177.4	-63.2	-179.3	-175.6	70	0.8	113	E23 E29 V155 I156 K224	E23-R226 IonicContact OE2-NE 3.7Å; E23-R226 PolarHBondContact OE2-NE 3.04Å; E29-R226 VanDerWaalsContact CD-NH2 3.32Å; E29-R226 IonicContact OE1-CZ 3.48Å; E29-R226 IonicContact OE1-NH1 2.95Å; E29-R226 PolarHBondContact OE1-NH1 2.99Å; E29-R226 IonicContact OE1-NH2 3.37Å; E29-R226 PolarHBondContact OE1-NH2 3.28Å; E29-R226 VanDerWaalsContact OE1-NH2 3.09Å; E29-R226 IonicContact OE2-CZ 3.66Å; E29-R226 IonicContact OE2-NH1 3.92Å; E29-R226 IonicContact OE2-NH2 2.95Å; E29-R226 PolarHBondContact OE2-NH2 2.9Å; V155-R226 PolarHBondContact O-N 2.87Å; I156-R226 WeakPolarHBondContact O-CD 3.37Å; I156-R226 PolarHBondContact O-NH1 3.34Å; K224-R226 PolarHBondContact O-NH1 3.48Å
227	V	72.6	Confident	77.2	Confident	25 Å²	25	69.7 Å²	69.7	15%	0.152	35%	0.351	C	S	.	.			trans	-91.9	106.6	-178.3	-171.2	0	0	0	0	108.6	V155 N158	V155-V227 HydrophobicContact CB-CB 4.3Å; V155-V227 HydrophobicContact CG1-CB 4.48Å; V155-V227 PolarHBondContact O-N 2.99Å; N158-V227 HydrophobicContact CB-CG2 3.79Å
228	E	65.2	Low	76.4	Confident	176 Å²	176	73 Å²	73	82%	0.822	36%	0.364	S	S	*	.			trans	-86.5	139.1	176	-64.8	-166.7	167.8	0	0	110.8
229	A	58.7	Low	75.6	Confident	20 Å²	20	69.1 Å²	69.1	17%	0.165	35%	0.347	C	S	.	.			trans	-105.8	140.8	176	0	0	0	0	0	109.6	R376	A229-R376 HydrophobicContact CB-CB 3.91Å; A229-R376 HydrophobicContact CB-CG 4.21Å
230	P	54	Low	74.9	Confident	65 Å²	65	72.9 Å²	72.9	42%	0.422	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-55.5	148.8	176.9	-14.9	20.9	0	0	0	112	T232	P230-T232 PolarHBondContact O-N 3.46Å
231	P	52.4	Low	74.4	Confident	77 Å²	77	79.5 Å²	79.5	50%	0.5	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-54.2	119.1	172.3	-25.1	34.8	0	0	0	112.3	R92	R92-P231 VanDerWaalsContact NH2-CG 3.33Å
232	T	55.4	Low	73.7	Confident	39 Å²	39	73.1 Å²	73.1	24%	0.239	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-92.3	122.3	169.5	46.7	0	0	0	0	110.8	P230 L377	P230-T232 PolarHBondContact O-N 3.46Å; T232-L377 HydrophobicContact CG2-CD2 4.23Å
233	T	59.6	Low	73.3	Confident	141 Å²	141	72.6 Å²	72.6	87%	0.865	36%	0.361	S	S	*	.			trans	-104.5	0.6	173.7	52.8	0	0	0	0	112.7
234	T	66.5	Low	73	Confident	33 Å²	33	80.4 Å²	80.4	20%	0.202	39%	0.39	C	S	.	.	S	Bend	trans	-74.7	158.5	-174.5	42.2	0	0	0	0	113.1	R90 D239	R90-T234 PolarHBondContact NH2-O 2.85Å; R90-T234 VanDerWaalsContact NH2-O 3.09Å; T234-D239 PolarHBondContact OG1-OD1 3.23Å
235	S	72.7	Confident	72.8	Confident	56 Å²	56	79.7 Å²	79.7	39%	0.392	39%	0.388	S	S	.	.			trans	-73.2	147.6	-179.5	69.5	0	0	0	0	110.6	R237 E238 D239	S235-R237 PolarHBondContact O-N 3.43Å; S235-R237 VanDerWaalsContact O-N 3.09Å; S235-E238 PolarHBondContact N-OE2 2.92Å; S235-E238 WeakPolarHBondContact O-CB 3.4Å; S235-E238 PolarHBondContact O-N 3.39Å; S235-E238 VanDerWaalsContact OG-CD 3.26Å; S235-E238 WeakPolarHBondContact OG-CG 3.36Å; S235-E238 PolarHBondContact OG-OE2 3.26Å; S235-D239 PolarHBondContact O-N 3.32Å; S235-D239 VanDerWaalsContact O-N 3.14Å
236	M	71.1	Confident	72.8	Confident	92 Å²	92	78.7 Å²	78.7	45%	0.453	38%	0.384	S	S	.	.	H	α-helix	trans	-54.4	-32.4	179.1	168.1	177	152.5	0	0	113.2	L86 D239 L240	L86-M236 HydrophobicContact CD1-CB 4.42Å; L86-M236 HydrophobicContact CD1-CE 4.2Å; L86-M236 HydrophobicContact CD1-CG 3.52Å; L86-M236 HydrophobicContact CD1-SD 3.6Å; M236-D239 PolarHBondContact O-N 2.87Å; M236-L240 HydrophobicContact CE-CD1 4.12Å; M236-L240 HydrophobicContact CG-CD1 4.25Å; M236-L240 WeakPolarHBondContact O-CG 3.39Å; M236-L240 PolarHBondContact O-N 3.42Å
237	R	75.5	Confident	73.2	Confident	216 Å²	216	77.4 Å²	77.4	82%	0.815	38%	0.384	S	S	*	.	H	α-helix	trans	-67.1	-37.6	177.7	-175	-179.5	178.4	-169.7	-0.3	112	S235 R241	S235-R237 PolarHBondContact O-N 3.43Å; S235-R237 VanDerWaalsContact O-N 3.09Å; R237-R241 WeakPolarHBondContact O-CB 3.47Å; R237-R241 PolarHBondContact O-N 2.95Å; R237-R241 VanDerWaalsContact O-N 3.11Å
238	E	77.2	Confident	74.2	Confident	81 Å²	81	76.4 Å²	76.4	38%	0.379	38%	0.378	S	S	.	.	H	α-helix	trans	-69.6	-44.8	176.1	-70.9	163.6	150.5	0	0	110.5	S235 L240 R241 D242	S235-E238 PolarHBondContact N-OE2 2.92Å; S235-E238 WeakPolarHBondContact O-CB 3.4Å; S235-E238 PolarHBondContact O-N 3.39Å; S235-E238 VanDerWaalsContact OG-CD 3.26Å; S235-E238 WeakPolarHBondContact OG-CG 3.36Å; S235-E238 PolarHBondContact OG-OE2 3.26Å; E238-L240 VanDerWaalsContact C-N 3.3Å; E238-L240 PolarHBondContact O-N 3.45Å; E238-R241 WeakPolarHBondContact O-CA 3.36Å; E238-R241 WeakPolarHBondContact O-CB 3.31Å; E238-R241 PolarHBondContact O-N 3.22Å; E238-D242 PolarHBondContact O-N 3.05Å
239	D	77.8	Confident	75.5	Confident	2 Å²	2	69.1 Å²	69.1	1%	0.011	34%	0.342	C	S	.	.	H	α-helix	trans	-60.3	-41	178.9	-61.3	-16.2	0	0	0	111.4	T234 S235 M236 D242 I243 L377	T234-D239 PolarHBondContact OG1-OD1 3.23Å; S235-D239 PolarHBondContact O-N 3.32Å; S235-D239 VanDerWaalsContact O-N 3.14Å; M236-D239 PolarHBondContact O-N 2.87Å; D239-D242 PolarHBondContact O-N 2.93Å; D239-I243 WeakPolarHBondContact O-CD1 3.33Å; D239-I243 WeakPolarHBondContact O-CG1 3.41Å; D239-I243 PolarHBondContact O-N 2.89Å; D239-I243 VanDerWaalsContact O-N 3.16Å; D239-L377 HydrophobicContact CB-CD1 4.05Å; D239-L377 HydrophobicContact CB-CD2 4.14Å
240	L	80.6	Confident	77.2	Confident	79 Å²	79	72.9 Å²	72.9	41%	0.414	35%	0.352	S	S	.	.	H	α-helix	trans	-63.7	-39	173	-78.6	169.3	0	0	0	112.9	M236 E238 W244 I380	M236-L240 HydrophobicContact CE-CD1 4.12Å; M236-L240 HydrophobicContact CG-CD1 4.25Å; M236-L240 WeakPolarHBondContact O-CG 3.39Å; M236-L240 PolarHBondContact O-N 3.42Å; E238-L240 VanDerWaalsContact C-N 3.3Å; E238-L240 PolarHBondContact O-N 3.45Å; L240-W244 PolarHBondContact O-N 2.69Å; L240-W244 VanDerWaalsContact O-N 3.1Å; L240-I380 HydrophobicContact CD2-CD1 3.68Å; L240-I380 HydrophobicContact CD2-CG1 4.47Å; L240-I380 HydrophobicContact CG-CD1 3.95Å
241	R	82.3	Confident	79.1	Confident	145 Å²	145	70.9 Å²	70.9	55%	0.547	34%	0.338	S	S	.	.	H	α-helix	trans	-65.3	-43.9	177.3	-172.6	-173.1	74.5	174.6	2.8	110.9	R237 E238 I243 W244 Q245	R237-R241 WeakPolarHBondContact O-CB 3.47Å; R237-R241 PolarHBondContact O-N 2.95Å; R237-R241 VanDerWaalsContact O-N 3.11Å; E238-R241 WeakPolarHBondContact O-CA 3.36Å; E238-R241 WeakPolarHBondContact O-CB 3.31Å; E238-R241 PolarHBondContact O-N 3.22Å; R241-I243 VanDerWaalsContact C-N 3.32Å; R241-I243 PolarHBondContact O-N 2.61Å; R241-W244 PolarHBondContact O-N 3.26Å; R241-W244 VanDerWaalsContact O-N 3.16Å; R241-Q245 WeakPolarHBondContact O-CG 3.34Å; R241-Q245 PolarHBondContact O-N 2.73Å
242	D	79.6	Confident	81.1	Confident	13 Å²	13	67.3 Å²	67.3	7%	0.07	31%	0.314	C	S	.	.	H	α-helix	trans	-66	-37.1	-176.7	-64.8	-10.8	0	0	0	111.1	E238 D239 Q245 N246 K375 L377	E238-D242 PolarHBondContact O-N 3.05Å; D239-D242 PolarHBondContact O-N 2.93Å; D242-Q245 PolarHBondContact O-N 2.67Å; D242-N246 PolarHBondContact O-N 2.98Å; D242-K375 WeakPolarHBondContact OD2-CD 3.39Å; D242-K375 WeakPolarHBondContact OD2-CE 3.14Å; D242-K375 IonicContact OD2-NZ 3.68Å; D242-K375 PolarHBondContact OD2-NZ 2.83Å; D242-L377 HydrophobicContact CB-CD1 4.27Å
243	I	83.9	Confident	82.8	Confident	11 Å²	11	65.7 Å²	65.7	6%	0.056	31%	0.306	C	S	.	.	H	α-helix	trans	-65.9	-43.2	171.6	-65.2	164.5	0	0	0	111.3	D239 R241 Q245 N246 W249 L377 I380	D239-I243 WeakPolarHBondContact O-CD1 3.33Å; D239-I243 WeakPolarHBondContact O-CG1 3.41Å; D239-I243 PolarHBondContact O-N 2.89Å; D239-I243 VanDerWaalsContact O-N 3.16Å; R241-I243 VanDerWaalsContact C-N 3.32Å; R241-I243 PolarHBondContact O-N 2.61Å; I243-Q245 PolarHBondContact O-N 3.23Å; I243-N246 VanDerWaalsContact O-CB 3.27Å; I243-N246 WeakPolarHBondContact O-CB 3.31Å; I243-N246 PolarHBondContact O-N 3.11Å; I243-N246 VanDerWaalsContact O-N 3.12Å; I243-W249 HydrophobicContact CG2-CD2 3.5Å; I243-W249 HydrophobicContact CG2-CE3 3.73Å; I243-W249 HydrophobicContact CG2-CG 4.02Å; I243-W249 HydrophobicContact CG2-CH2 4.12Å; I243-W249 HydrophobicContact CG2-CZ2 3.9Å; I243-W249 HydrophobicContact CG2-CZ3 4.04Å; I243-L377 HydrophobicContact CD1-CD1 4.36Å; I243-L377 HydrophobicContact CG1-CB 4.47Å; I243-L377 HydrophobicContact CG1-CD1 3.98Å; I243-I380 HydrophobicContact CD1-CB 3.92Å; I243-I380 HydrophobicContact CD1-CD1 3.66Å; I243-I380 HydrophobicContact CD1-CG1 3.54Å; I243-I380 HydrophobicContact CD1-CG2 3.35Å
244	W	85.4	Confident	84.4	Confident	168 Å²	168	62.9 Å²	62.9	64%	0.636	29%	0.285	S	S	*	.	H	α-helix	trans	-65.8	-28.7	178.5	-169.7	-100.8	0	0	0	112.6	L240 R241 N246 W249 R250	L240-W244 PolarHBondContact O-N 2.69Å; L240-W244 VanDerWaalsContact O-N 3.1Å; R241-W244 PolarHBondContact O-N 3.26Å; R241-W244 VanDerWaalsContact O-N 3.16Å; W244-N246 VanDerWaalsContact C-N 3.33Å; W244-W249 HydrophobicContact CE3-CZ3 4.09Å; W244-W249 HydrophobicContact CZ3-CZ3 4.36Å; W244-R250 WeakPolarHBondContact O-CD 3.34Å; W244-R250 VanDerWaalsContact O-CZ 3.27Å; W244-R250 PolarHBondContact O-NE 2.75Å
245	Q	85.4	Confident	85.7	Confident	117 Å²	117	61.4 Å²	61.4	55%	0.547	28%	0.276	S	S	.	.	H	α-helix	trans	-72.4	-26	174.3	-74.5	178.8	-10.8	0	0	112.6	R241 D242 I243 D247 R250	R241-Q245 WeakPolarHBondContact O-CG 3.34Å; R241-Q245 PolarHBondContact O-N 2.73Å; D242-Q245 PolarHBondContact O-N 2.67Å; I243-Q245 PolarHBondContact O-N 3.23Å; Q245-D247 PolarHBondContact O-N 3.11Å; Q245-R250 PolarHBondContact O-NH2 3.49Å
246	N	89.2	Confident	86.6	Confident	13 Å²	13	58.9 Å²	58.9	7%	0.07	26%	0.258	C	S	.	.			trans	-63.7	106.1	173.6	-172.6	-27.3	0	0	0	110.3	D242 I243 W244 Q248 W249 R250 T365 Y368	D242-N246 PolarHBondContact O-N 2.98Å; I243-N246 VanDerWaalsContact O-CB 3.27Å; I243-N246 WeakPolarHBondContact O-CB 3.31Å; I243-N246 PolarHBondContact O-N 3.11Å; I243-N246 VanDerWaalsContact O-N 3.12Å; W244-N246 VanDerWaalsContact C-N 3.33Å; N246-Q248 PolarHBondContact OD1-N 3.21Å; N246-W249 HydrophobicContact CB-CB 3.85Å; N246-W249 PolarHBondContact OD1-N 2.79Å; N246-R250 PolarHBondContact O-N 2.8Å; N246-R250 PolarHBondContact O-NE 2.84Å; N246-T365 PolarHBondContact ND2-O 3.47Å; N246-Y368 WeakPolarHBondContact OD1-CD1 3.26Å
247	D	92	Very high	87.6	Confident	57 Å²	57	57.1 Å²	57.1	31%	0.305	25%	0.25	S	C	.	.	H	α-helix	trans	-65.7	-42.2	-180	64.6	-44.5	0	0	0	111.8	Q245 W249 R250 I251 Y368	Q245-D247 PolarHBondContact O-N 3.11Å; D247-W249 VanDerWaalsContact C-N 3.32Å; D247-W249 PolarHBondContact O-N 3.4Å; D247-R250 PolarHBondContact O-N 2.86Å; D247-I251 WeakPolarHBondContact O-CD1 3.31Å; D247-I251 WeakPolarHBondContact O-CG1 3.37Å; D247-I251 PolarHBondContact O-N 3.22Å; D247-Y368 WeakPolarHBondContact OD1-CE1 3.46Å; D247-Y368 PolarHBondContact OD1-OH 3.21Å
248	Q	93.9	Very high	88.4	Confident	4 Å²	4	49 Å²	49	2%	0.019	22%	0.221	C	C	.	.	H	α-helix	trans	-65.7	-35.8	179.4	-58.8	-56.6	-56	0	0	111.9	N246 I251 V252 T365 Y368 S448 L449	N246-Q248 PolarHBondContact OD1-N 3.21Å; Q248-I251 PolarHBondContact O-N 3.01Å; Q248-V252 WeakPolarHBondContact O-CG2 3.3Å; Q248-V252 PolarHBondContact O-N 3.45Å; Q248-T365 HydrophobicContact CB-CG2 3.99Å; Q248-T365 WeakPolarHBondContact O-CG2 3.38Å; Q248-Y368 HydrophobicContact CB-CD1 3.96Å; Q248-Y368 HydrophobicContact CB-CE1 4.15Å; Q248-Y368 HydrophobicContact CG-CD1 3.79Å; Q248-Y368 HydrophobicContact CG-CE1 3.61Å; Q248-Y368 HydrophobicContact CG-CG 4.32Å; Q248-S448 PolarHBondContact NE2-OG 2.77Å; Q248-S448 PolarHBondContact OE1-OG 2.97Å; Q248-L449 HydrophobicContact CB-CD1 3.9Å; Q248-L449 HydrophobicContact CB-CG 4.34Å; Q248-L449 HydrophobicContact CG-CD1 4.09Å; Q248-L449 HydrophobicContact CG-CD2 4.39Å; Q248-L449 HydrophobicContact CG-CG 4.01Å
249	W	93	Very high	89.2	Confident	22 Å²	22	45.7 Å²	45.7	8%	0.083	21%	0.205	C	C	.	.	H	α-helix	trans	-62.7	-44.5	173.2	-177.9	86.5	0	0	0	112.3	I243 W244 N246 D247 I251 V252 G253 T365 S381 T385	I243-W249 HydrophobicContact CG2-CD2 3.5Å; I243-W249 HydrophobicContact CG2-CE3 3.73Å; I243-W249 HydrophobicContact CG2-CG 4.02Å; I243-W249 HydrophobicContact CG2-CH2 4.12Å; I243-W249 HydrophobicContact CG2-CZ2 3.9Å; I243-W249 HydrophobicContact CG2-CZ3 4.04Å; W244-W249 HydrophobicContact CE3-CZ3 4.09Å; W244-W249 HydrophobicContact CZ3-CZ3 4.36Å; N246-W249 HydrophobicContact CB-CB 3.85Å; N246-W249 PolarHBondContact OD1-N 2.79Å; D247-W249 VanDerWaalsContact C-N 3.32Å; D247-W249 PolarHBondContact O-N 3.4Å; W249-I251 VanDerWaalsContact C-N 3.32Å; W249-I251 PolarHBondContact O-N 3.34Å; W249-V252 PolarHBondContact O-N 3.44Å; W249-G253 PolarHBondContact O-N 2.83Å; W249-T365 HydrophobicContact CB-CG2 4.43Å; W249-S381 PolarHBondContact NE1-O 2.92Å; W249-T385 PolarHBondContact NE1-OG1 3.14Å
250	R	93.4	Very high	89.8	Confident	100 Å²	100	47 Å²	47	38%	0.377	21%	0.212	S	C	.	.	H	α-helix	trans	-61.7	-40.3	176.6	-71.4	175.8	-77	172.4	-6.7	112.1	W244 Q245 N246 D247 G253 L254	W244-R250 WeakPolarHBondContact O-CD 3.34Å; W244-R250 VanDerWaalsContact O-CZ 3.27Å; W244-R250 PolarHBondContact O-NE 2.75Å; Q245-R250 PolarHBondContact O-NH2 3.49Å; N246-R250 PolarHBondContact O-N 2.8Å; N246-R250 PolarHBondContact O-NE 2.84Å; D247-R250 PolarHBondContact O-N 2.86Å; R250-G253 PolarHBondContact O-N 3.05Å; R250-L254 PolarHBondContact O-N 3.36Å; R250-L254 VanDerWaalsContact O-N 3.08Å
251	I	94.2	Very high	90.2	Very high	23 Å²	23	44.5 Å²	44.5	12%	0.118	20%	0.199	C	C	.	.	H	α-helix	trans	-62.7	-47	176.5	-68	158.4	0	0	0	110.7	D247 Q248 W249 G253 L254 L255 I442 Y446 Y447	D247-I251 WeakPolarHBondContact O-CD1 3.31Å; D247-I251 WeakPolarHBondContact O-CG1 3.37Å; D247-I251 PolarHBondContact O-N 3.22Å; Q248-I251 PolarHBondContact O-N 3.01Å; W249-I251 VanDerWaalsContact C-N 3.32Å; W249-I251 PolarHBondContact O-N 3.34Å; I251-G253 VanDerWaalsContact C-N 3.26Å; I251-G253 PolarHBondContact O-N 3.47Å; I251-L254 PolarHBondContact O-N 2.7Å; I251-L254 VanDerWaalsContact O-N 3.15Å; I251-L255 HydrophobicContact CG2-CD1 4.29Å; I251-L255 HydrophobicContact CG2-CG 4.47Å; I251-L255 WeakPolarHBondContact O-CG 3.38Å; I251-L255 PolarHBondContact O-N 2.85Å; I251-I442 HydrophobicContact CG2-CG2 3.97Å; I251-Y446 VanDerWaalsContact CD1-O 3.26Å; I251-Y446 WeakPolarHBondContact CD1-O 3.22Å; I251-Y447 HydrophobicContact CG2-CD2 4.14Å
252	V	93.5	Very high	90.6	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.006	17%	0.173	C	C	.	.	H	α-helix	trans	-61.3	-36.1	175.9	173.5	0	0	0	0	111.7	Q248 W249 L255 T256 M361 M362 T365 T385 Y447	Q248-V252 WeakPolarHBondContact O-CG2 3.3Å; Q248-V252 PolarHBondContact O-N 3.45Å; W249-V252 PolarHBondContact O-N 3.44Å; V252-L255 PolarHBondContact O-N 3.45Å; V252-T256 WeakPolarHBondContact O-CB 3.39Å; V252-T256 PolarHBondContact O-N 3.45Å; V252-T256 PolarHBondContact O-OG1 2.87Å; V252-M361 HydrophobicContact CG2-CB 4.2Å; V252-M362 HydrophobicContact CG1-CB 4.14Å; V252-T365 HydrophobicContact CB-CG2 4.36Å; V252-T365 HydrophobicContact CG2-CG2 3.7Å; V252-T385 HydrophobicContact CG1-CG2 4.48Å; V252-Y447 HydrophobicContact CG2-CD2 3.96Å; V252-Y447 HydrophobicContact CG2-CE2 3.42Å; V252-Y447 VanDerWaalsContact CG2-CE2 3.42Å
253	G	92.4	Very high	91.1	Very high	5 Å²	5	38.7 Å²	38.7	5%	0.052	18%	0.18	C	C	.	.	H	α-helix	trans	-55.7	-51.6	170.8	0	0	0	0	0	112.5	W249 R250 I251 L255 T256 I257 V388	W249-G253 PolarHBondContact O-N 2.83Å; R250-G253 PolarHBondContact O-N 3.05Å; I251-G253 VanDerWaalsContact C-N 3.26Å; I251-G253 PolarHBondContact O-N 3.47Å; G253-L255 PolarHBondContact O-N 3.35Å; G253-T256 WeakPolarHBondContact O-CB 3.29Å; G253-T256 PolarHBondContact O-N 2.83Å; G253-T256 VanDerWaalsContact O-N 3.14Å; G253-I257 PolarHBondContact O-N 3.28Å; G253-I257 VanDerWaalsContact O-N 3.09Å; G253-V388 VanDerWaalsContact O-CG1 3.27Å; G253-V388 WeakPolarHBondContact O-CG1 3.39Å
254	L	92.7	Very high	91.1	Very high	83 Å²	83	39.5 Å²	39.5	44%	0.435	19%	0.186	S	C	.	.	H	α-helix	trans	-61.7	-43.5	177.6	-71.7	172.3	0	0	0	112.8	R250 I251 T256 I257 F258	R250-L254 PolarHBondContact O-N 3.36Å; R250-L254 VanDerWaalsContact O-N 3.08Å; I251-L254 PolarHBondContact O-N 2.7Å; I251-L254 VanDerWaalsContact O-N 3.15Å; L254-T256 PolarHBondContact O-N 3.29Å; L254-I257 PolarHBondContact O-N 2.9Å; L254-F258 VanDerWaalsContact O-CD2 3.23Å; L254-F258 WeakPolarHBondContact O-CD2 3.48Å; L254-F258 PolarHBondContact O-N 3.4Å; L254-F258 VanDerWaalsContact O-N 3.16Å
255	L	94.5	Very high	91.3	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-59	-37.1	175.3	-65.5	178.5	0	0	0	111.6	I251 V252 G253 N259 F315 M361 S439 I442 A443	I251-L255 HydrophobicContact CG2-CD1 4.29Å; I251-L255 HydrophobicContact CG2-CG 4.47Å; I251-L255 WeakPolarHBondContact O-CG 3.38Å; I251-L255 PolarHBondContact O-N 2.85Å; V252-L255 PolarHBondContact O-N 3.45Å; G253-L255 PolarHBondContact O-N 3.35Å; L255-N259 WeakPolarHBondContact O-CB 3.32Å; L255-N259 PolarHBondContact O-N 3Å; L255-N259 VanDerWaalsContact O-N 3.11Å; L255-N259 PolarHBondContact O-ND2 2.98Å; L255-F315 HydrophobicContact CB-CZ 4.43Å; L255-F315 HydrophobicContact CD1-CE1 4.13Å; L255-F315 HydrophobicContact CD1-CZ 4.4Å; L255-F315 HydrophobicContact CD2-CE1 4.28Å; L255-M361 HydrophobicContact CD1-CE 3.73Å; L255-S439 VanDerWaalsContact CD2-O 3.26Å; L255-S439 WeakPolarHBondContact CD2-O 3.42Å; L255-I442 HydrophobicContact CD2-CB 3.82Å; L255-I442 HydrophobicContact CD2-CG2 3.69Å; L255-I442 HydrophobicContact CG-CG2 4.2Å; L255-A443 HydrophobicContact CD1-CB 4.08Å; L255-A443 HydrophobicContact CD2-CB 3.97Å
256	T	92.1	Very high	91.6	Very high	3 Å²	3	26 Å²	26	2%	0.018	13%	0.13	C	C	.	.	H	α-helix	trans	-65.5	-44.6	177.4	-58.1	0	0	0	0	111.8	V252 G253 L254 I260 Q358 T385 L389	V252-T256 WeakPolarHBondContact O-CB 3.39Å; V252-T256 PolarHBondContact O-N 3.45Å; V252-T256 PolarHBondContact O-OG1 2.87Å; G253-T256 WeakPolarHBondContact O-CB 3.29Å; G253-T256 PolarHBondContact O-N 2.83Å; G253-T256 VanDerWaalsContact O-N 3.14Å; L254-T256 PolarHBondContact O-N 3.29Å; T256-I260 WeakPolarHBondContact O-CB 3.37Å; T256-I260 VanDerWaalsContact O-CG2 3.24Å; T256-I260 WeakPolarHBondContact O-CG2 3.31Å; T256-I260 PolarHBondContact O-N 3.42Å; T256-Q358 VanDerWaalsContact CA-NE2 3.34Å; T256-Q358 PolarHBondContact OG1-NE2 3.26Å; T256-T385 HydrophobicContact CG2-CG2 4.33Å; T256-L389 HydrophobicContact CG2-CB 3.8Å; T256-L389 HydrophobicContact CG2-CD1 4.31Å; T256-L389 HydrophobicContact CG2-CG 4.24Å
257	I	90.9	Very high	91.4	Very high	55 Å²	55	27.4 Å²	27.4	28%	0.282	15%	0.148	S	C	.	.	H	α-helix	trans	-58.9	-52.2	177.5	-64.6	175.4	0	0	0	110.8	G253 L254 I260 L261 V388	G253-I257 PolarHBondContact O-N 3.28Å; G253-I257 VanDerWaalsContact O-N 3.09Å; L254-I257 PolarHBondContact O-N 2.9Å; I257-I260 WeakPolarHBondContact O-CG2 3.45Å; I257-I260 PolarHBondContact O-N 3.14Å; I257-L261 WeakPolarHBondContact O-CB 3.36Å; I257-L261 PolarHBondContact O-N 2.91Å; I257-V388 HydrophobicContact CD1-CG1 3.75Å; I257-V388 HydrophobicContact CG1-CG1 3.29Å
258	F	93.3	Very high	90.8	Very high	47 Å²	47	26.3 Å²	26.3	21%	0.206	15%	0.15	C	C	.	.	H	α-helix	trans	-67	-42.4	-174.9	-71.8	-61.6	0	0	0	112.4	L254 A262 C435 L438 I442	L254-F258 VanDerWaalsContact O-CD2 3.23Å; L254-F258 WeakPolarHBondContact O-CD2 3.48Å; L254-F258 PolarHBondContact O-N 3.4Å; L254-F258 VanDerWaalsContact O-N 3.16Å; F258-A262 PolarHBondContact O-N 2.76Å; F258-A262 VanDerWaalsContact O-N 3.1Å; F258-C435 HydrophobicContact CB-CB 4.49Å; F258-C435 WeakPolarHBondContact O-CB 3.39Å; F258-L438 HydrophobicContact CD1-CB 4.32Å; F258-L438 HydrophobicContact CD1-CD1 4.09Å; F258-L438 HydrophobicContact CD2-CB 4.37Å; F258-L438 HydrophobicContact CE1-CB 4.36Å; F258-L438 HydrophobicContact CE1-CD1 3.57Å; F258-L438 HydrophobicContact CE2-CB 4.41Å; F258-L438 HydrophobicContact CG-CB 4.33Å; F258-L438 HydrophobicContact CZ-CB 4.4Å; F258-L438 HydrophobicContact CZ-CD1 3.92Å; F258-I442 HydrophobicContact CD2-CD1 3.95Å; F258-I442 HydrophobicContact CE2-CD1 3.62Å
259	N	93.2	Very high	90.5	Very high	11 Å²	11	26.2 Å²	26.2	6%	0.059	15%	0.15	C	C	.	.	H	α-helix	trans	-62.6	-52.2	176.2	-81.7	-71.4	0	0	0	110.9	L255 L261 A262 V263 N319 Q358 S439	L255-N259 WeakPolarHBondContact O-CB 3.32Å; L255-N259 PolarHBondContact O-N 3Å; L255-N259 VanDerWaalsContact O-N 3.11Å; L255-N259 PolarHBondContact O-ND2 2.98Å; N259-L261 VanDerWaalsContact C-N 3.28Å; N259-L261 PolarHBondContact O-N 2.71Å; N259-A262 WeakPolarHBondContact O-CB 3.42Å; N259-A262 PolarHBondContact O-N 3.08Å; N259-A262 VanDerWaalsContact O-N 3.09Å; N259-V263 WeakPolarHBondContact O-CG2 3.08Å; N259-V263 PolarHBondContact O-N 3.3Å; N259-N319 PolarHBondContact OD1-OD1 2.92Å; N259-Q358 PolarHBondContact ND2-OE1 2.83Å; N259-Q358 VanDerWaalsContact ND2-OE1 3.14Å; N259-S439 PolarHBondContact ND2-OG 3.14Å
260	I	89.8	Confident	90.3	Very high	28 Å²	28	25.3 Å²	25.3	14%	0.144	15%	0.147	C	C	.	.	H	α-helix	trans	-63.6	-34.7	-177	-156.9	64.7	0	0	0	112.5	T256 I257 V263 C264 L389 G392 L393	T256-I260 WeakPolarHBondContact O-CB 3.37Å; T256-I260 VanDerWaalsContact O-CG2 3.24Å; T256-I260 WeakPolarHBondContact O-CG2 3.31Å; T256-I260 PolarHBondContact O-N 3.42Å; I257-I260 WeakPolarHBondContact O-CG2 3.45Å; I257-I260 PolarHBondContact O-N 3.14Å; I260-V263 HydrophobicContact CD1-CB 4.49Å; I260-V263 HydrophobicContact CD1-CG2 4.38Å; I260-V263 WeakPolarHBondContact O-CB 3.25Å; I260-V263 PolarHBondContact O-N 3.37Å; I260-C264 VanDerWaalsContact O-CB 3.23Å; I260-C264 WeakPolarHBondContact O-CB 3.45Å; I260-C264 PolarHBondContact O-N 3.29Å; I260-L389 HydrophobicContact CD1-CD2 4.4Å; I260-L389 HydrophobicContact CD1-CG 4.31Å; I260-L389 HydrophobicContact CG1-CD2 4.33Å; I260-L389 HydrophobicContact CG1-CG 4.13Å; I260-G392 VanDerWaalsContact CG2-CA 3.5Å; I260-L393 HydrophobicContact CD1-CD2 3.95Å; I260-L393 HydrophobicContact CD1-CG 4.36Å; I260-L393 HydrophobicContact CG1-CD2 3.63Å; I260-L393 HydrophobicContact CG1-CG 3.73Å
261	L	88.7	Confident	89.8	Confident	27 Å²	27	24.6 Å²	24.6	14%	0.141	15%	0.149	C	C	.	.	H	α-helix	trans	-62.4	-45.9	174.4	-173.5	67.7	0	0	0	110.7	I257 N259 V263 C264 V265 F395 G396	I257-L261 WeakPolarHBondContact O-CB 3.36Å; I257-L261 PolarHBondContact O-N 2.91Å; N259-L261 VanDerWaalsContact C-N 3.28Å; N259-L261 PolarHBondContact O-N 2.71Å; L261-V263 VanDerWaalsContact C-N 3.31Å; L261-V263 PolarHBondContact O-N 3.23Å; L261-C264 PolarHBondContact O-N 3.05Å; L261-V265 HydrophobicContact CD1-CG2 4.1Å; L261-V265 HydrophobicContact CG-CG2 4.3Å; L261-V265 VanDerWaalsContact O-CB 3.3Å; L261-V265 WeakPolarHBondContact O-CB 3.36Å; L261-V265 WeakPolarHBondContact O-CG2 3.5Å; L261-V265 PolarHBondContact O-N 2.74Å; L261-F395 HydrophobicContact CD1-CB 4.32Å; L261-G396 VanDerWaalsContact CD1-CA 3.42Å
262	A	92	Very high	89.4	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.3	-41.2	176.7	0	0	0	0	0	112.3	F258 N259 R266 P432 C435 Y436	F258-A262 PolarHBondContact O-N 2.76Å; F258-A262 VanDerWaalsContact O-N 3.1Å; N259-A262 WeakPolarHBondContact O-CB 3.42Å; N259-A262 PolarHBondContact O-N 3.08Å; N259-A262 VanDerWaalsContact O-N 3.09Å; A262-R266 WeakPolarHBondContact O-CB 3.2Å; A262-R266 PolarHBondContact O-N 2.85Å; A262-P432 HydrophobicContact CB-CB 4.14Å; A262-C435 HydrophobicContact CB-CB 3.74Å; A262-Y436 HydrophobicContact CB-CD1 4.12Å; A262-Y436 HydrophobicContact CB-CD2 4.22Å; A262-Y436 HydrophobicContact CB-CE1 3.63Å; A262-Y436 HydrophobicContact CB-CE2 3.72Å; A262-Y436 HydrophobicContact CB-CG 4.38Å
263	V	89.2	Confident	89.3	Confident	37 Å²	37	27.1 Å²	27.1	22%	0.224	16%	0.157	C	C	.	.	H	α-helix	trans	-62.2	-54	176.1	-176.9	0	0	0	0	111.5	N259 I260 L261 R266 G267 H351	N259-V263 WeakPolarHBondContact O-CG2 3.08Å; N259-V263 PolarHBondContact O-N 3.3Å; I260-V263 HydrophobicContact CD1-CB 4.49Å; I260-V263 HydrophobicContact CD1-CG2 4.38Å; I260-V263 WeakPolarHBondContact O-CB 3.25Å; I260-V263 PolarHBondContact O-N 3.37Å; L261-V263 VanDerWaalsContact C-N 3.31Å; L261-V263 PolarHBondContact O-N 3.23Å; V263-R266 PolarHBondContact O-N 2.85Å; V263-G267 PolarHBondContact O-N 3.14Å; V263-H351 WeakPolarHBondContact CB-CE1 3.38Å; V263-H351 WeakPolarHBondContact CG1-CE1 2.91Å; V263-H351 WeakPolarHBondContact CG1-NE2 3.47Å; V263-H351 WeakPolarHBondContact CG2-CE1 3.36Å; V263-H351 WeakPolarHBondContact CG2-NE2 3.46Å
264	C	85.2	Confident	89.1	Confident	27 Å²	27	26.9 Å²	26.9	18%	0.182	16%	0.155	C	C	.	.	H	α-helix	trans	-65.3	-44.8	-172.2	-174.7	0	0	0	0	110.7	I260 L261 G267 G268 L393	I260-C264 VanDerWaalsContact O-CB 3.23Å; I260-C264 WeakPolarHBondContact O-CB 3.45Å; I260-C264 PolarHBondContact O-N 3.29Å; L261-C264 PolarHBondContact O-N 3.05Å; C264-G267 PolarHBondContact O-N 2.83Å; C264-G268 PolarHBondContact O-N 3.13Å; C264-L393 HydrophobicContact CB-CD2 4.08Å
265	V	89	Confident	88.6	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.2	-46	179	174.3	0	0	0	0	111	L261 A269 L399 I400 L427 V431	L261-V265 HydrophobicContact CD1-CG2 4.1Å; L261-V265 HydrophobicContact CG-CG2 4.3Å; L261-V265 VanDerWaalsContact O-CB 3.3Å; L261-V265 WeakPolarHBondContact O-CB 3.36Å; L261-V265 WeakPolarHBondContact O-CG2 3.5Å; L261-V265 PolarHBondContact O-N 2.74Å; V265-A269 WeakPolarHBondContact O-CB 3.06Å; V265-A269 PolarHBondContact O-N 3.28Å; V265-L399 HydrophobicContact CG2-CD2 3.95Å; V265-I400 HydrophobicContact CG1-CG1 4.33Å; V265-I400 HydrophobicContact CG2-CG1 4.49Å; V265-L427 HydrophobicContact CG1-CB 4.32Å; V265-L427 HydrophobicContact CG1-CD2 3.76Å; V265-L427 WeakPolarHBondContact CG1-O 3.32Å; V265-V431 HydrophobicContact CG1-CB 4.24Å; V265-V431 HydrophobicContact CG1-CG1 3.92Å; V265-V431 HydrophobicContact CG2-CG1 4.42Å
266	R	91.5	Very high	88.3	Confident	1 Å²	1	27.4 Å²	27.4	0%	0.004	16%	0.155	C	C	.	.	H	α-helix	trans	-64.9	-48.9	176.9	176.7	169.8	-72.2	155.4	1.3	111.9	A262 V263 G268 A269 M270 S326 F428 P432	A262-R266 WeakPolarHBondContact O-CB 3.2Å; A262-R266 PolarHBondContact O-N 2.85Å; V263-R266 PolarHBondContact O-N 2.85Å; R266-G268 VanDerWaalsContact C-N 3.35Å; R266-G268 PolarHBondContact O-N 3.1Å; R266-A269 PolarHBondContact O-N 3.2Å; R266-M270 PolarHBondContact O-N 3.41Å; R266-S326 PolarHBondContact NH1-OG 3.25Å; R266-S326 PolarHBondContact NH2-OG 3.14Å; R266-F428 HydrophobicContact CG-CD2 4.04Å; R266-F428 HydrophobicContact CG-CE2 3.63Å; R266-F428 HydrophobicContact CG-CZ 4.11Å; R266-F428 PolarHBondContact NE-O 3.07Å; R266-F428 PolarHBondContact NH2-O 2.9Å; R266-F428 VanDerWaalsContact O-CE2 3.28Å; R266-F428 WeakPolarHBondContact O-CE2 3.42Å; R266-P432 HydrophobicContact CB-CG 4.06Å
267	G	84.5	Confident	88.1	Confident	44 Å²	44	27.9 Å²	27.9	45%	0.454	16%	0.158	S	C	.	.	H	α-helix	trans	-59.1	-45.7	-179.6	0	0	0	0	0	111.9	V263 C264 M270	V263-G267 PolarHBondContact O-N 3.14Å; C264-G267 PolarHBondContact O-N 2.83Å; G267-M270 WeakPolarHBondContact O-CB 3.05Å; G267-M270 PolarHBondContact O-N 2.89Å
268	G	78.9	Confident	87.9	Confident	34 Å²	34	26.3 Å²	26.3	35%	0.351	15%	0.149	S	C	.	.	H	α-helix	trans	-71	-32.2	177.9	0	0	0	0	0	113.8	C264 R266 M270 Y272	C264-G268 PolarHBondContact O-N 3.13Å; R266-G268 VanDerWaalsContact C-N 3.35Å; R266-G268 PolarHBondContact O-N 3.1Å; G268-M270 VanDerWaalsContact C-N 3.32Å; G268-Y272 WeakPolarHBondContact O-CD2 3.37Å; G268-Y272 WeakPolarHBondContact O-CE2 3.33Å
269	A	87.8	Confident	87.3	Confident	2 Å²	2	26.7 Å²	26.7	2%	0.017	17%	0.167	C	C	.	.	H	α-helix	trans	-77.7	-14.3	175.2	0	0	0	0	0	113.7	V265 R266 M271 Y272 Y273 L427 F428	V265-A269 WeakPolarHBondContact O-CB 3.06Å; V265-A269 PolarHBondContact O-N 3.28Å; R266-A269 PolarHBondContact O-N 3.2Å; A269-M271 PolarHBondContact O-N 3.13Å; A269-Y272 PolarHBondContact O-N 2.93Å; A269-Y273 PolarHBondContact O-N 3.28Å; A269-L427 HydrophobicContact CB-CB 3.86Å; A269-F428 HydrophobicContact CB-CD2 4.03Å
270	M	89.8	Confident	86.8	Confident	3 Å²	3	28.7 Å²	28.7	2%	0.015	18%	0.18	C	C	.	.	H	α-helix	trans	-58.7	-46	-172.4	-170.3	177.1	-77.9	0	0	113.4	R266 G267 G268 Y272 Y273 V274 F284 F287 L288 Y291 I344 F428	R266-M270 PolarHBondContact O-N 3.41Å; G267-M270 WeakPolarHBondContact O-CB 3.05Å; G267-M270 PolarHBondContact O-N 2.89Å; G268-M270 VanDerWaalsContact C-N 3.32Å; M270-Y272 VanDerWaalsContact C-N 3.34Å; M270-Y272 PolarHBondContact O-N 3.38Å; M270-Y273 PolarHBondContact O-N 2.89Å; M270-V274 WeakPolarHBondContact O-CG2 3.28Å; M270-V274 PolarHBondContact O-N 2.6Å; M270-F284 HydrophobicContact CB-CE2 4.25Å; M270-F284 HydrophobicContact CG-CD2 4.45Å; M270-F284 HydrophobicContact CG-CE2 3.91Å; M270-F284 HydrophobicContact SD-CE2 4.21Å; M270-F287 HydrophobicContact CE-CD1 4.34Å; M270-F287 HydrophobicContact CE-CE1 4.28Å; M270-F287 HydrophobicContact CG-CD1 3.84Å; M270-F287 HydrophobicContact CG-CE1 4.01Å; M270-F287 HydrophobicContact SD-CD1 3.85Å; M270-F287 HydrophobicContact SD-CE1 4.29Å; M270-L288 HydrophobicContact SD-CB 4.23Å; M270-L288 HydrophobicContact SD-CD1 3.94Å; M270-Y291 HydrophobicContact CE-CD1 4.4Å; M270-Y291 HydrophobicContact CE-CG 4.18Å; M270-I344 HydrophobicContact CE-CD1 3.82Å; M270-I344 HydrophobicContact CE-CG1 3.94Å; M270-F428 VanDerWaalsContact CA-CE2 3.41Å; M270-F428 HydrophobicContact CB-CE2 3.69Å; M270-F428 HydrophobicContact CB-CZ 4.36Å; M270-F428 HydrophobicContact CE-CE2 4.36Å; M270-F428 HydrophobicContact CE-CZ 4.21Å; M270-F428 HydrophobicContact CG-CE2 3.97Å; M270-F428 HydrophobicContact CG-CZ 4.13Å
271	M	82.5	Confident	86.3	Confident	84 Å²	84	29.9 Å²	29.9	41%	0.414	19%	0.189	S	C	.	.	H	α-helix	trans	-64.4	-41.5	-179.9	-174.8	62	-174.4	0	0	111.3	A269 Y273 V274 T275 F284	A269-M271 PolarHBondContact O-N 3.13Å; M271-Y273 VanDerWaalsContact C-N 3.33Å; M271-Y273 PolarHBondContact O-N 2.62Å; M271-V274 PolarHBondContact O-N 3.08Å; M271-T275 VanDerWaalsContact O-CB 3.26Å; M271-T275 WeakPolarHBondContact O-CB 3.4Å; M271-T275 PolarHBondContact O-N 3.03Å; M271-T275 PolarHBondContact O-OG1 3.48Å; M271-F284 HydrophobicContact CB-CD2 4.3Å; M271-F284 HydrophobicContact CB-CE2 3.87Å; M271-F284 HydrophobicContact CB-CZ 4.29Å; M271-F284 HydrophobicContact CG-CE2 4.48Å; M271-F284 HydrophobicContact SD-CB 3.98Å; M271-F284 HydrophobicContact SD-CD1 3.77Å; M271-F284 HydrophobicContact SD-CD2 3.49Å; M271-F284 WeakPolarHBondContact SD-CD2 3.38Å; M271-F284 HydrophobicContact SD-CE1 4.11Å; M271-F284 HydrophobicContact SD-CE2 3.85Å; M271-F284 HydrophobicContact SD-CG 3.44Å; M271-F284 WeakPolarHBondContact SD-CG 3.46Å; M271-F284 HydrophobicContact SD-CZ 4.15Å
272	Y	86.7	Confident	86.1	Confident	72 Å²	72	35.9 Å²	35.9	28%	0.282	22%	0.216	S	C	.	.	H	α-helix	trans	-63.4	-40.5	175.8	-60	-81.2	0	0	0	111.6	G268 A269 M270 W276 L404 Y409	G268-Y272 WeakPolarHBondContact O-CD2 3.37Å; G268-Y272 WeakPolarHBondContact O-CE2 3.33Å; A269-Y272 PolarHBondContact O-N 2.93Å; M270-Y272 VanDerWaalsContact C-N 3.34Å; M270-Y272 PolarHBondContact O-N 3.38Å; Y272-W276 WeakPolarHBondContact O-CB 3.29Å; Y272-W276 PolarHBondContact O-N 2.93Å; Y272-L404 HydrophobicContact CD1-CD1 4.18Å; Y272-L404 HydrophobicContact CD2-CD1 4.16Å; Y272-L404 HydrophobicContact CE1-CD1 3.8Å; Y272-L404 HydrophobicContact CE2-CD1 3.77Å; Y272-L404 HydrophobicContact CG-CD1 4.35Å; Y272-Y409 HydrophobicContact CD1-CD2 4.49Å; Y272-Y409 AromaticContact CD1-CE2 3.73Å; Y272-Y409 HydrophobicContact CD1-CE2 3.73Å; Y272-Y409 AromaticContact CD1-CZ 3.85Å; Y272-Y409 HydrophobicContact CE1-CE1 4.04Å; Y272-Y409 AromaticContact CE1-CE2 3.89Å; Y272-Y409 HydrophobicContact CE1-CE2 3.89Å; Y272-Y409 AromaticContact CE1-CZ 3.56Å
273	Y	89.9	Confident	85.8	Confident	5 Å²	5	37.9 Å²	37.9	2%	0.02	23%	0.229	C	C	.	.	H	α-helix	trans	-64.7	-48.6	178	-166.6	-86.7	0	0	0	112	A269 M270 M271 T275 I277 L278 M340 I424 I425 F428	A269-Y273 PolarHBondContact O-N 3.28Å; M270-Y273 PolarHBondContact O-N 2.89Å; M271-Y273 VanDerWaalsContact C-N 3.33Å; M271-Y273 PolarHBondContact O-N 2.62Å; Y273-T275 VanDerWaalsContact C-N 3.32Å; Y273-T275 PolarHBondContact O-N 2.85Å; Y273-I277 HydrophobicContact CD1-CB 4.38Å; Y273-I277 HydrophobicContact CD2-CB 4.22Å; Y273-I277 HydrophobicContact CD2-CG1 3.86Å; Y273-I277 HydrophobicContact CE1-CB 4.35Å; Y273-I277 HydrophobicContact CE1-CG2 4.31Å; Y273-I277 HydrophobicContact CE2-CB 4.2Å; Y273-I277 HydrophobicContact CE2-CG1 4.1Å; Y273-I277 HydrophobicContact CE2-CG2 4.04Å; Y273-I277 HydrophobicContact CG-CB 4.31Å; Y273-I277 HydrophobicContact CG-CG1 4.23Å; Y273-I277 WeakPolarHBondContact O-CA 3.11Å; Y273-I277 WeakPolarHBondContact O-CB 3.31Å; Y273-I277 PolarHBondContact O-N 2.82Å; Y273-L278 HydrophobicContact CD1-CG 4.42Å; Y273-L278 HydrophobicContact CE1-CD2 4.45Å; Y273-L278 HydrophobicContact CE1-CG 4.33Å; Y273-L278 PolarHBondContact O-N 3.03Å; Y273-L278 VanDerWaalsContact O-N 3.14Å; Y273-M340 HydrophobicContact CE1-SD 4.48Å; Y273-M340 WeakPolarHBondContact OH-CE 3.28Å; Y273-I424 HydrophobicContact CD2-CG2 4.15Å; Y273-I425 HydrophobicContact CE2-CG1 4.23Å; Y273-F428 AromaticContact CD1-CD1 3.93Å; Y273-F428 HydrophobicContact CD1-CD1 3.93Å; Y273-F428 HydrophobicContact CD1-CE1 4.04Å; Y273-F428 HydrophobicContact CD2-CB 3.54Å; Y273-F428 AromaticContact CD2-CD1 3.62Å; Y273-F428 HydrophobicContact CD2-CD1 3.62Å; Y273-F428 AromaticContact CD2-CG 3.65Å; Y273-F428 HydrophobicContact CD2-CG 3.65Å; Y273-F428 HydrophobicContact CE1-CD1 4.17Å; Y273-F428 HydrophobicContact CE1-CE1 4.36Å; Y273-F428 HydrophobicContact CE2-CB 4.08Å; Y273-F428 AromaticContact CE2-CD1 3.87Å; Y273-F428 HydrophobicContact CE2-CD1 3.87Å; Y273-F428 HydrophobicContact CE2-CG 4.26Å; Y273-F428 HydrophobicContact CG-CB 4.18Å; Y273-F428 AromaticContact CG-CD1 3.65Å; Y273-F428 HydrophobicContact CG-CD1 3.65Å; Y273-F428 HydrophobicContact CG-CD2 4.35Å; Y273-F428 HydrophobicContact CG-CE1 4.12Å; Y273-F428 AromaticContact CG-CG 3.79Å; Y273-F428 HydrophobicContact CG-CG 3.79Å
274	V	88.1	Confident	85.6	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.3	-39.5	178.5	176.7	0	0	0	0	111.3	M270 M271 L278 G279 V283 F284 F287	M270-V274 WeakPolarHBondContact O-CG2 3.28Å; M270-V274 PolarHBondContact O-N 2.6Å; M271-V274 PolarHBondContact O-N 3.08Å; V274-L278 HydrophobicContact CB-CD1 4.44Å; V274-L278 HydrophobicContact CG1-CD1 4.36Å; V274-L278 HydrophobicContact CG2-CD1 4.12Å; V274-L278 WeakPolarHBondContact O-CB 3.38Å; V274-G279 PolarHBondContact O-N 3Å; V274-V283 HydrophobicContact CG1-CG2 3.87Å; V274-F284 HydrophobicContact CB-CD2 4.33Å; V274-F284 HydrophobicContact CG1-CB 4.04Å; V274-F284 HydrophobicContact CG2-CD2 4.15Å; V274-F287 HydrophobicContact CG2-CB 4.22Å; V274-F287 HydrophobicContact CG2-CD1 3.72Å; V274-F287 HydrophobicContact CG2-CE1 4.22Å; V274-F287 HydrophobicContact CG2-CG 3.96Å
275	T	84	Confident	85.4	Confident	36 Å²	36	42.1 Å²	42.1	22%	0.221	25%	0.249	C	C	.	.	H	α-helix	trans	-70.8	-51.3	-178.4	-55.4	0	0	0	0	111.9	M271 Y273 G279 P281	M271-T275 VanDerWaalsContact O-CB 3.26Å; M271-T275 WeakPolarHBondContact O-CB 3.4Å; M271-T275 PolarHBondContact O-N 3.03Å; M271-T275 PolarHBondContact O-OG1 3.48Å; Y273-T275 VanDerWaalsContact C-N 3.32Å; Y273-T275 PolarHBondContact O-N 2.85Å; T275-G279 WeakPolarHBondContact O-CA 3.29Å; T275-P281 HydrophobicContact CG2-CB 4.41Å
276	W	86.9	Confident	85.3	Confident	60 Å²	60	44.5 Å²	44.5	23%	0.227	27%	0.269	C	S	.	.	H	α-helix	trans	-100.1	-20	-166.9	-62.2	109.7	0	0	0	114.8	Y272 Y409 E413 Q416 I424	Y272-W276 WeakPolarHBondContact O-CB 3.29Å; Y272-W276 PolarHBondContact O-N 2.93Å; W276-Y409 AromaticContact NE1-CE2 3.55Å; W276-E413 VanDerWaalsContact CH2-O 3.25Å; W276-E413 WeakPolarHBondContact CH2-O 3.43Å; W276-Q416 HydrophobicContact CB-CG 4.47Å; W276-Q416 HydrophobicContact CD2-CG 3.52Å; W276-Q416 HydrophobicContact CE3-CG 3.6Å; W276-Q416 HydrophobicContact CG-CG 3.92Å; W276-Q416 HydrophobicContact CH2-CG 4.35Å; W276-Q416 VanDerWaalsContact CH2-NE2 3.33Å; W276-Q416 HydrophobicContact CZ2-CG 4.29Å; W276-Q416 VanDerWaalsContact CZ2-NE2 3.28Å; W276-Q416 HydrophobicContact CZ3-CG 4.02Å; W276-I424 HydrophobicContact CB-CD1 4.1Å; W276-I424 HydrophobicContact CG-CD1 4.28Å
277	I	88.1	Confident	85.2	Confident	13 Å²	13	44.4 Å²	44.4	7%	0.067	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-46.8	-178.6	-47.6	-59.1	0	0	0	111.2	Y273 M334 I421 I424 I425	Y273-I277 HydrophobicContact CD1-CB 4.38Å; Y273-I277 HydrophobicContact CD2-CB 4.22Å; Y273-I277 HydrophobicContact CD2-CG1 3.86Å; Y273-I277 HydrophobicContact CE1-CB 4.35Å; Y273-I277 HydrophobicContact CE1-CG2 4.31Å; Y273-I277 HydrophobicContact CE2-CB 4.2Å; Y273-I277 HydrophobicContact CE2-CG1 4.1Å; Y273-I277 HydrophobicContact CE2-CG2 4.04Å; Y273-I277 HydrophobicContact CG-CB 4.31Å; Y273-I277 HydrophobicContact CG-CG1 4.23Å; Y273-I277 WeakPolarHBondContact O-CA 3.11Å; Y273-I277 WeakPolarHBondContact O-CB 3.31Å; Y273-I277 PolarHBondContact O-N 2.82Å; I277-M334 HydrophobicContact CG2-CB 4.21Å; I277-M334 HydrophobicContact CG2-CG 3.86Å; I277-M334 HydrophobicContact CG2-SD 4.29Å; I277-I421 HydrophobicContact CD1-CB 4.37Å; I277-I421 HydrophobicContact CD1-CG1 4.47Å; I277-I421 HydrophobicContact CD1-CG2 3.74Å; I277-I424 HydrophobicContact CD1-CB 4.47Å; I277-I424 HydrophobicContact CD1-CG2 4.23Å; I277-I424 HydrophobicContact CG1-CG2 3.81Å; I277-I425 HydrophobicContact CD1-CD1 4.18Å; I277-I425 HydrophobicContact CD1-CG1 3.86Å; I277-I425 HydrophobicContact CG1-CG1 4.15Å; I277-I425 HydrophobicContact CG2-CG1 4.38Å
278	L	86.8	Confident	85.3	Confident	21 Å²	21	45.5 Å²	45.5	11%	0.11	26%	0.264	C	S	.	.	S	Bend	trans	-77	-26.2	174.1	-63.7	-178.3	0	0	0	112.6	Y273 V274 T280 F287 M340	Y273-L278 HydrophobicContact CD1-CG 4.42Å; Y273-L278 HydrophobicContact CE1-CD2 4.45Å; Y273-L278 HydrophobicContact CE1-CG 4.33Å; Y273-L278 PolarHBondContact O-N 3.03Å; Y273-L278 VanDerWaalsContact O-N 3.14Å; V274-L278 HydrophobicContact CB-CD1 4.44Å; V274-L278 HydrophobicContact CG1-CD1 4.36Å; V274-L278 HydrophobicContact CG2-CD1 4.12Å; V274-L278 WeakPolarHBondContact O-CB 3.38Å; L278-T280 PolarHBondContact O-N 3.13Å; L278-F287 HydrophobicContact CD1-CD2 4.41Å; L278-F287 HydrophobicContact CD1-CE2 4.33Å; L278-M340 HydrophobicContact CD2-CB 4.36Å; L278-M340 HydrophobicContact CD2-CG 4.02Å
279	G	81	Confident	85.7	Confident	55 Å²	55	46.9 Å²	46.9	57%	0.567	27%	0.265	S	S	*	.	S	Bend	trans	72.1	11.2	177.9	0	0	0	0	0	114.8	V274 T275	V274-G279 PolarHBondContact O-N 3Å; T275-G279 WeakPolarHBondContact O-CA 3.29Å
280	T	83.6	Confident	85.9	Confident	54 Å²	54	48.4 Å²	48.4	33%	0.331	28%	0.275	S	S	.	.			trans	-130.4	73.9	-178	58.2	0	0	0	0	110.2	L278 E282 V283	L278-T280 PolarHBondContact O-N 3.13Å; T280-E282 VanDerWaalsContact C-OE2 3.24Å; T280-E282 WeakPolarHBondContact CA-OE2 3.32Å; T280-E282 PolarHBondContact O-N 3.35Å; T280-V283 WeakPolarHBondContact O-CG2 3.46Å; T280-V283 PolarHBondContact O-N 2.93Å; T280-V283 VanDerWaalsContact O-N 3.08Å; T280-V283 WeakPolarHBondContact OG1-CG2 3.46Å
281	P	79	Confident	86	Confident	53 Å²	53	49.2 Å²	49.2	34%	0.344	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-57.7	-23.1	-175.7	23.4	-33	0	0	0	113.5	T275 V283 F284	T275-P281 HydrophobicContact CG2-CB 4.41Å; P281-V283 PolarHBondContact O-N 2.79Å; P281-F284 WeakPolarHBondContact O-CB 3.37Å; P281-F284 PolarHBondContact O-N 3.27Å
282	E	83	Confident	86.3	Confident	152 Å²	152	46.3 Å²	46.3	71%	0.71	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-63.4	-25.6	178.6	-48.1	79.1	-170.1	0	0	112.5	T280 F284	T280-E282 VanDerWaalsContact C-OE2 3.24Å; T280-E282 WeakPolarHBondContact CA-OE2 3.32Å; T280-E282 PolarHBondContact O-N 3.35Å; E282-F284 VanDerWaalsContact C-N 3.28Å; E282-F284 PolarHBondContact O-N 3.14Å
283	V	87	Confident	86.6	Confident	43 Å²	43	45.7 Å²	45.7	26%	0.261	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-83.1	-2.9	-179.4	-45.2	0	0	0	0	113.2	V274 T280 P281 V285 A286 F287 F341	V274-V283 HydrophobicContact CG1-CG2 3.87Å; T280-V283 WeakPolarHBondContact O-CG2 3.46Å; T280-V283 PolarHBondContact O-N 2.93Å; T280-V283 VanDerWaalsContact O-N 3.08Å; T280-V283 WeakPolarHBondContact OG1-CG2 3.46Å; P281-V283 PolarHBondContact O-N 2.79Å; V283-V285 VanDerWaalsContact C-N 3.31Å; V283-V285 PolarHBondContact O-N 3.03Å; V283-A286 WeakPolarHBondContact O-CB 3.2Å; V283-A286 PolarHBondContact O-N 3.18Å; V283-F287 WeakPolarHBondContact O-CB 3.43Å; V283-F287 PolarHBondContact O-N 3.19Å; V283-F341 HydrophobicContact CB-CZ 4.29Å; V283-F341 HydrophobicContact CG2-CE2 4.29Å; V283-F341 HydrophobicContact CG2-CZ 4.2Å
284	F	83.8	Confident	86.8	Confident	50 Å²	50	45.5 Å²	45.5	22%	0.219	27%	0.268	C	S	.	.	H	α-helix	trans	-54.6	-44.7	-176.6	173.7	-104.1	0	0	0	112.7	M270 M271 V274 P281 E282 A286 F287 L288	M270-F284 HydrophobicContact CB-CE2 4.25Å; M270-F284 HydrophobicContact CG-CD2 4.45Å; M270-F284 HydrophobicContact CG-CE2 3.91Å; M270-F284 HydrophobicContact SD-CE2 4.21Å; M271-F284 HydrophobicContact CB-CD2 4.3Å; M271-F284 HydrophobicContact CB-CE2 3.87Å; M271-F284 HydrophobicContact CB-CZ 4.29Å; M271-F284 HydrophobicContact CG-CE2 4.48Å; M271-F284 HydrophobicContact SD-CB 3.98Å; M271-F284 HydrophobicContact SD-CD1 3.77Å; M271-F284 HydrophobicContact SD-CD2 3.49Å; M271-F284 WeakPolarHBondContact SD-CD2 3.38Å; M271-F284 HydrophobicContact SD-CE1 4.11Å; M271-F284 HydrophobicContact SD-CE2 3.85Å; M271-F284 HydrophobicContact SD-CG 3.44Å; M271-F284 WeakPolarHBondContact SD-CG 3.46Å; M271-F284 HydrophobicContact SD-CZ 4.15Å; V274-F284 HydrophobicContact CB-CD2 4.33Å; V274-F284 HydrophobicContact CG1-CB 4.04Å; V274-F284 HydrophobicContact CG2-CD2 4.15Å; P281-F284 WeakPolarHBondContact O-CB 3.37Å; P281-F284 PolarHBondContact O-N 3.27Å; E282-F284 VanDerWaalsContact C-N 3.28Å; E282-F284 PolarHBondContact O-N 3.14Å; F284-A286 VanDerWaalsContact C-N 3.33Å; F284-A286 PolarHBondContact O-N 2.86Å; F284-F287 WeakPolarHBondContact O-CB 3.26Å; F284-F287 PolarHBondContact O-N 2.96Å; F284-L288 HydrophobicContact CE1-CD2 4.23Å; F284-L288 HydrophobicContact CZ-CD2 4.23Å; F284-L288 WeakPolarHBondContact O-CB 3.45Å; F284-L288 PolarHBondContact O-N 3.3Å
285	V	81.8	Confident	87	Confident	102 Å²	102	46.1 Å²	46.1	62%	0.618	27%	0.271	S	S	*	.	H	α-helix	trans	-62.2	-42.4	179.1	177.1	0	0	0	0	111	V283 F287 T289	V283-V285 VanDerWaalsContact C-N 3.31Å; V283-V285 PolarHBondContact O-N 3.03Å; V285-F287 VanDerWaalsContact C-N 3.34Å; V285-T289 VanDerWaalsContact O-CB 3.26Å; V285-T289 WeakPolarHBondContact O-CB 3.38Å; V285-T289 PolarHBondContact O-N 3.44Å; V285-T289 PolarHBondContact O-OG1 3.02Å
286	A	87.3	Confident	87.4	Confident	50 Å²	50	46.5 Å²	46.5	41%	0.413	27%	0.272	S	S	.	.	H	α-helix	trans	-65.5	-39.6	176.3	0	0	0	0	0	111.5	V283 F284 T289 T290 F341	V283-A286 WeakPolarHBondContact O-CB 3.2Å; V283-A286 PolarHBondContact O-N 3.18Å; F284-A286 VanDerWaalsContact C-N 3.33Å; F284-A286 PolarHBondContact O-N 2.86Å; A286-T289 PolarHBondContact O-N 3.05Å; A286-T290 WeakPolarHBondContact O-CB 3.48Å; A286-T290 PolarHBondContact O-N 3.4Å; A286-T290 PolarHBondContact O-OG1 3.47Å; A286-F341 HydrophobicContact CB-CE1 4.1Å; A286-F341 HydrophobicContact CB-CZ 4.25Å
287	F	89.5	Confident	87.8	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-66.1	-45.9	179.2	-163.3	-99.5	0	0	0	112	M270 V274 L278 V283 F284 V285 T290 Y291 M340 F341 I344 F428	M270-F287 HydrophobicContact CE-CD1 4.34Å; M270-F287 HydrophobicContact CE-CE1 4.28Å; M270-F287 HydrophobicContact CG-CD1 3.84Å; M270-F287 HydrophobicContact CG-CE1 4.01Å; M270-F287 HydrophobicContact SD-CD1 3.85Å; M270-F287 HydrophobicContact SD-CE1 4.29Å; V274-F287 HydrophobicContact CG2-CB 4.22Å; V274-F287 HydrophobicContact CG2-CD1 3.72Å; V274-F287 HydrophobicContact CG2-CE1 4.22Å; V274-F287 HydrophobicContact CG2-CG 3.96Å; L278-F287 HydrophobicContact CD1-CD2 4.41Å; L278-F287 HydrophobicContact CD1-CE2 4.33Å; V283-F287 WeakPolarHBondContact O-CB 3.43Å; V283-F287 PolarHBondContact O-N 3.19Å; F284-F287 WeakPolarHBondContact O-CB 3.26Å; F284-F287 PolarHBondContact O-N 2.96Å; V285-F287 VanDerWaalsContact C-N 3.34Å; F287-T290 WeakPolarHBondContact O-CB 3.5Å; F287-T290 PolarHBondContact O-N 3.49Å; F287-Y291 PolarHBondContact O-N 3.5Å; F287-Y291 VanDerWaalsContact O-N 3.14Å; F287-M340 HydrophobicContact CE2-CB 4.02Å; F287-M340 HydrophobicContact CZ-CB 4.43Å; F287-F341 HydrophobicContact CB-CE1 4.11Å; F287-F341 HydrophobicContact CB-CZ 4.02Å; F287-F341 HydrophobicContact CD2-CD1 4.09Å; F287-F341 AromaticContact CD2-CD2 3.92Å; F287-F341 HydrophobicContact CD2-CD2 3.92Å; F287-F341 AromaticContact CD2-CE1 3.99Å; F287-F341 HydrophobicContact CD2-CE1 3.99Å; F287-F341 AromaticContact CD2-CE2 3.8Å; F287-F341 HydrophobicContact CD2-CE2 3.8Å; F287-F341 HydrophobicContact CD2-CG 4.06Å; F287-F341 AromaticContact CD2-CZ 3.83Å; F287-F341 HydrophobicContact CD2-CZ 3.83Å; F287-F341 HydrophobicContact CE2-CD2 4.31Å; F287-F341 HydrophobicContact CE2-CG 4.44Å; F287-F341 HydrophobicContact CG-CZ 4.45Å; F287-I344 HydrophobicContact CD1-CG1 4.4Å; F287-I344 HydrophobicContact CD1-CG2 4.39Å; F287-I344 HydrophobicContact CD2-CG2 4.1Å; F287-I344 HydrophobicContact CE1-CB 3.97Å; F287-I344 HydrophobicContact CE1-CD1 4.22Å; F287-I344 HydrophobicContact CE1-CG1 3.74Å; F287-I344 HydrophobicContact CE1-CG2 4.05Å; F287-I344 HydrophobicContact CE2-CB 4.16Å; F287-I344 HydrophobicContact CE2-CG2 3.73Å; F287-I344 HydrophobicContact CG-CG2 4.43Å; F287-I344 HydrophobicContact CZ-CB 3.65Å; F287-I344 HydrophobicContact CZ-CD1 4.5Å; F287-I344 HydrophobicContact CZ-CG1 3.97Å; F287-I344 HydrophobicContact CZ-CG2 3.71Å; F287-F428 HydrophobicContact CE1-CE1 4.27Å; F287-F428 AromaticContact CE1-CZ 3.88Å; F287-F428 HydrophobicContact CE1-CZ 3.88Å; F287-F428 HydrophobicContact CZ-CE1 4.37Å; F287-F428 HydrophobicContact CZ-CZ 4.41Å
288	L	86.7	Confident	88.1	Confident	67 Å²	67	46.5 Å²	46.5	35%	0.351	28%	0.276	S	S	.	.	H	α-helix	trans	-64.8	-42.4	174.2	179.1	61.9	0	0	0	111.6	M270 F284 T290 Y291 C292	M270-L288 HydrophobicContact SD-CB 4.23Å; M270-L288 HydrophobicContact SD-CD1 3.94Å; F284-L288 HydrophobicContact CE1-CD2 4.23Å; F284-L288 HydrophobicContact CZ-CD2 4.23Å; F284-L288 WeakPolarHBondContact O-CB 3.45Å; F284-L288 PolarHBondContact O-N 3.3Å; L288-T290 VanDerWaalsContact C-N 3.27Å; L288-T290 PolarHBondContact O-N 2.99Å; L288-Y291 HydrophobicContact CD1-CD1 4.48Å; L288-Y291 WeakPolarHBondContact O-CB 3.46Å; L288-Y291 PolarHBondContact O-N 3.39Å; L288-C292 PolarHBondContact O-N 3.02Å; L288-C292 PolarHBondContact O-SG 3.45Å; L288-C292 VanDerWaalsContact O-SG 3.35Å
289	T	87.2	Confident	88.4	Confident	62 Å²	62	45.5 Å²	45.5	38%	0.38	27%	0.271	S	S	.	.	H	α-helix	trans	-60.2	-41.4	176.3	-59.2	0	0	0	0	110.7	V285 A286 Y291 C292 V293	V285-T289 VanDerWaalsContact O-CB 3.26Å; V285-T289 WeakPolarHBondContact O-CB 3.38Å; V285-T289 PolarHBondContact O-N 3.44Å; V285-T289 PolarHBondContact O-OG1 3.02Å; A286-T289 PolarHBondContact O-N 3.05Å; T289-Y291 VanDerWaalsContact C-N 3.32Å; T289-Y291 PolarHBondContact O-N 2.88Å; T289-C292 PolarHBondContact O-N 2.74Å; T289-V293 HydrophobicContact CG2-CG2 4.34Å; T289-V293 WeakPolarHBondContact O-CG2 3.33Å; T289-V293 PolarHBondContact O-N 3.4Å
290	T	92.1	Very high	89	Confident	35 Å²	35	45.5 Å²	45.5	22%	0.215	27%	0.265	C	S	.	.	H	α-helix	trans	-59.8	-43.1	176.5	-59.9	0	0	0	0	111.5	A286 F287 L288 G294 F341 I344 F345	A286-T290 WeakPolarHBondContact O-CB 3.48Å; A286-T290 PolarHBondContact O-N 3.4Å; A286-T290 PolarHBondContact O-OG1 3.47Å; F287-T290 WeakPolarHBondContact O-CB 3.5Å; F287-T290 PolarHBondContact O-N 3.49Å; L288-T290 VanDerWaalsContact C-N 3.27Å; L288-T290 PolarHBondContact O-N 2.99Å; T290-G294 PolarHBondContact O-N 3.01Å; T290-G294 VanDerWaalsContact O-N 3.12Å; T290-F341 HydrophobicContact CG2-CD1 4.15Å; T290-F341 WeakPolarHBondContact OG1-CD1 3.19Å; T290-I344 HydrophobicContact CG2-CG2 4.02Å; T290-F345 HydrophobicContact CG2-CB 3.73Å; T290-F345 HydrophobicContact CG2-CD2 4.28Å; T290-F345 HydrophobicContact CG2-CG 4.48Å
291	Y	91.7	Very high	89.5	Confident	19 Å²	19	46.1 Å²	46.1	8%	0.075	27%	0.266	C	S	.	.	H	α-helix	trans	-61	-47.7	173.4	179.3	-110.6	0	0	0	112.3	M270 F287 L288 T289 V293 G294 N295 I344 I347 H351	M270-Y291 HydrophobicContact CE-CD1 4.4Å; M270-Y291 HydrophobicContact CE-CG 4.18Å; F287-Y291 PolarHBondContact O-N 3.5Å; F287-Y291 VanDerWaalsContact O-N 3.14Å; L288-Y291 HydrophobicContact CD1-CD1 4.48Å; L288-Y291 WeakPolarHBondContact O-CB 3.46Å; L288-Y291 PolarHBondContact O-N 3.39Å; T289-Y291 VanDerWaalsContact C-N 3.32Å; T289-Y291 PolarHBondContact O-N 2.88Å; Y291-V293 PolarHBondContact O-N 2.86Å; Y291-G294 WeakPolarHBondContact O-CA 3.49Å; Y291-G294 PolarHBondContact O-N 3.09Å; Y291-G294 VanDerWaalsContact O-N 3.13Å; Y291-N295 VanDerWaalsContact CE1-ND2 3.27Å; Y291-N295 WeakPolarHBondContact CE1-ND2 3.5Å; Y291-N295 PolarHBondContact O-N 3.11Å; Y291-N295 PolarHBondContact O-OD1 3.49Å; Y291-I344 HydrophobicContact CD2-CD1 4.01Å; Y291-I344 HydrophobicContact CD2-CG1 3.89Å; Y291-I344 HydrophobicContact CG-CG1 4.24Å; Y291-I347 HydrophobicContact CD2-CG2 4.44Å; Y291-I347 HydrophobicContact CE2-CG2 3.98Å; Y291-H351 PolarHBondContact OH-CE1 2.7Å; Y291-H351 PolarHBondContact OH-ND1 3.32Å; Y291-H351 VanDerWaalsContact OH-ND1 3.15Å; Y291-H351 PolarHBondContact OH-NE2 2.69Å
292	C	89.2	Confident	90.2	Very high	24 Å²	24	43.6 Å²	43.6	16%	0.162	25%	0.25	C	C	.	.	H	α-helix	trans	-64.9	-37.2	-179.4	-67.1	0	0	0	0	113.2	M179 L288 T289 G294 N295 L296	M179-C292 HydrophobicContact CE-CB 4.36Å; M179-C292 HydrophobicContact CG-CB 4.15Å; M179-C292 HydrophobicContact SD-CB 3.73Å; L288-C292 PolarHBondContact O-N 3.02Å; L288-C292 PolarHBondContact O-SG 3.45Å; L288-C292 VanDerWaalsContact O-SG 3.35Å; T289-C292 PolarHBondContact O-N 2.74Å; C292-G294 VanDerWaalsContact C-N 3.31Å; C292-N295 WeakPolarHBondContact O-CB 3.45Å; C292-N295 PolarHBondContact O-N 3.49Å; C292-N295 VanDerWaalsContact O-N 3.15Å; C292-L296 PolarHBondContact O-N 3.22Å
293	V	91.4	Very high	90.5	Very high	59 Å²	59	38.3 Å²	38.3	36%	0.358	22%	0.224	S	C	.	.	H	α-helix	trans	-64	-40.1	172.8	174.9	0	0	0	0	110.5	T289 Y291 N295 L296 I297 F345	T289-V293 HydrophobicContact CG2-CG2 4.34Å; T289-V293 WeakPolarHBondContact O-CG2 3.33Å; T289-V293 PolarHBondContact O-N 3.4Å; Y291-V293 PolarHBondContact O-N 2.86Å; V293-N295 VanDerWaalsContact C-N 3.32Å; V293-N295 PolarHBondContact O-N 2.77Å; V293-L296 PolarHBondContact O-N 2.9Å; V293-I297 HydrophobicContact CG1-CD1 4.39Å; V293-I297 PolarHBondContact O-N 3.14Å; V293-F345 HydrophobicContact CG1-CE2 4.22Å
294	G	94.4	Very high	90.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-55.2	-47.5	169.4	0	0	0	0	0	111.8	T290 Y291 C292 L296 I297 G298 G348 V349	T290-G294 PolarHBondContact O-N 3.01Å; T290-G294 VanDerWaalsContact O-N 3.12Å; Y291-G294 WeakPolarHBondContact O-CA 3.49Å; Y291-G294 PolarHBondContact O-N 3.09Å; Y291-G294 VanDerWaalsContact O-N 3.13Å; C292-G294 VanDerWaalsContact C-N 3.31Å; G294-L296 VanDerWaalsContact C-N 3.34Å; G294-L296 PolarHBondContact O-N 3.18Å; G294-I297 PolarHBondContact O-N 2.82Å; G294-I297 VanDerWaalsContact O-N 3.17Å; G294-G298 PolarHBondContact O-N 2.89Å; G294-G348 VanDerWaalsContact C-C 3.49Å; G294-V349 VanDerWaalsContact O-CA 3.26Å; G294-V349 WeakPolarHBondContact O-CA 3.43Å; G294-V349 WeakPolarHBondContact O-CG2 3.45Å; G294-V349 PolarHBondContact O-N 3.08Å
295	N	93.2	Very high	91.2	Very high	13 Å²	13	39.8 Å²	39.8	7%	0.07	24%	0.237	C	C	.	.	H	α-helix	trans	-59.8	-40.2	179.9	-67.3	-9.5	0	0	0	113.2	T175 Y291 C292 V293 I297 G298 S299 G348 Q352	T175-N295 HydrophobicContact CG2-CB 4.04Å; Y291-N295 VanDerWaalsContact CE1-ND2 3.27Å; Y291-N295 WeakPolarHBondContact CE1-ND2 3.5Å; Y291-N295 PolarHBondContact O-N 3.11Å; Y291-N295 PolarHBondContact O-OD1 3.49Å; C292-N295 WeakPolarHBondContact O-CB 3.45Å; C292-N295 PolarHBondContact O-N 3.49Å; C292-N295 VanDerWaalsContact O-N 3.15Å; V293-N295 VanDerWaalsContact C-N 3.32Å; V293-N295 PolarHBondContact O-N 2.77Å; N295-I297 VanDerWaalsContact C-N 3.35Å; N295-I297 PolarHBondContact O-N 2.88Å; N295-G298 PolarHBondContact O-N 2.89Å; N295-S299 PolarHBondContact O-N 3.17Å; N295-S299 PolarHBondContact O-OG 3.21Å; N295-G348 WeakPolarHBondContact OD1-CA 3.33Å; N295-G348 PolarHBondContact OD1-O 3.01Å; N295-Q352 VanDerWaalsContact CA-CB 3.46Å; N295-Q352 HydrophobicContact CB-CB 3.73Å; N295-Q352 HydrophobicContact CB-CG 3.87Å; N295-Q352 VanDerWaalsContact O-CB 3.29Å; N295-Q352 WeakPolarHBondContact O-CB 3.48Å; N295-Q352 WeakPolarHBondContact O-CG 3.27Å
296	L	91.5	Very high	91.7	Very high	45 Å²	45	35.6 Å²	35.6	24%	0.236	21%	0.211	C	C	.	.	H	α-helix	trans	-59.3	-46.7	175.8	-77.3	167.9	0	0	0	111.5	V172 T175 A176 M179 C292 V293 G294 A300	V172-L296 HydrophobicContact CG1-CD2 4.06Å; V172-L296 WeakPolarHBondContact O-CD2 3.4Å; T175-L296 HydrophobicContact CG2-CD2 4.03Å; T175-L296 HydrophobicContact CG2-CG 3.86Å; A176-L296 HydrophobicContact CB-CD2 4.35Å; M179-L296 HydrophobicContact SD-CD1 4.08Å; C292-L296 PolarHBondContact O-N 3.22Å; V293-L296 PolarHBondContact O-N 2.9Å; G294-L296 VanDerWaalsContact C-N 3.34Å; G294-L296 PolarHBondContact O-N 3.18Å; L296-A300 PolarHBondContact O-N 2.7Å
297	I	94.9	Very high	91.6	Very high	73 Å²	73	37.7 Å²	37.7	37%	0.374	22%	0.215	S	C	.	.	H	α-helix	trans	-66	-44.8	178.8	-64.3	168.5	0	0	0	110.3	V293 G294 N295 S299 A300 L301 F345 V349	V293-I297 HydrophobicContact CG1-CD1 4.39Å; V293-I297 PolarHBondContact O-N 3.14Å; G294-I297 PolarHBondContact O-N 2.82Å; G294-I297 VanDerWaalsContact O-N 3.17Å; N295-I297 VanDerWaalsContact C-N 3.35Å; N295-I297 PolarHBondContact O-N 2.88Å; I297-S299 PolarHBondContact O-N 3.17Å; I297-A300 PolarHBondContact O-N 2.81Å; I297-A300 VanDerWaalsContact O-N 3.13Å; I297-L301 HydrophobicContact CG2-CD1 3.84Å; I297-L301 HydrophobicContact CG2-CG 4.22Å; I297-L301 WeakPolarHBondContact O-CG 3.18Å; I297-L301 PolarHBondContact O-N 3.03Å; I297-F345 HydrophobicContact CD1-CE2 3.96Å; I297-F345 HydrophobicContact CD1-CZ 3.69Å; I297-V349 HydrophobicContact CB-CG2 4.23Å; I297-V349 HydrophobicContact CG2-CG1 4.32Å; I297-V349 HydrophobicContact CG2-CG2 4.25Å
298	G	95.1	Very high	91.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-55.1	-48.1	177	0	0	0	0	0	113.1	G294 N295 A300 L301 A302 V349 L353	G294-G298 PolarHBondContact O-N 2.89Å; N295-G298 PolarHBondContact O-N 2.89Å; G298-A300 VanDerWaalsContact C-N 3.29Å; G298-A300 PolarHBondContact O-N 3.41Å; G298-L301 PolarHBondContact O-N 3.24Å; G298-A302 PolarHBondContact O-N 2.81Å; G298-V349 WeakPolarHBondContact CA-O 3.31Å; G298-L353 WeakPolarHBondContact O-CA 3.43Å
299	S	93.3	Very high	91.7	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-57.1	-42.6	176.3	-58.6	0	0	0	0	112.2	S168 F171 N295 I297 Q352	S168-S299 WeakPolarHBondContact CB-O 3.47Å; F171-S299 WeakPolarHBondContact CB-OG 3.25Å; N295-S299 PolarHBondContact O-N 3.17Å; N295-S299 PolarHBondContact O-OG 3.21Å; I297-S299 PolarHBondContact O-N 3.17Å; S299-Q352 WeakPolarHBondContact OG-CG 3.32Å
300	A	92.6	Very high	91.8	Very high	54 Å²	54	45.2 Å²	45.2	45%	0.446	24%	0.239	S	C	.	.	H	α-helix	trans	-71.8	-30.7	-178.1	0	0	0	0	0	112.7	V172 L296 I297 G298 A302 P304	V172-A300 HydrophobicContact CG2-CB 4.1Å; L296-A300 PolarHBondContact O-N 2.7Å; I297-A300 PolarHBondContact O-N 2.81Å; I297-A300 VanDerWaalsContact O-N 3.13Å; G298-A300 VanDerWaalsContact C-N 3.29Å; G298-A300 PolarHBondContact O-N 3.41Å; A300-A302 VanDerWaalsContact C-N 3.32Å; A300-A302 PolarHBondContact O-N 3.09Å; A300-P304 VanDerWaalsContact O-CD 3.26Å; A300-P304 WeakPolarHBondContact O-CD 3.3Å
301	L	95.2	Very high	91.9	Very high	68 Å²	68	43.7 Å²	43.7	36%	0.356	23%	0.229	S	C	.	.	H	α-helix	trans	-75.2	-16.5	179.7	-72.7	176.2	0	0	0	114	I297 G298 K303 P304 L305 V349 L353	I297-L301 HydrophobicContact CG2-CD1 3.84Å; I297-L301 HydrophobicContact CG2-CG 4.22Å; I297-L301 WeakPolarHBondContact O-CG 3.18Å; I297-L301 PolarHBondContact O-N 3.03Å; G298-L301 PolarHBondContact O-N 3.24Å; L301-K303 PolarHBondContact O-N 2.66Å; L301-P304 VanDerWaalsContact O-CD 3.29Å; L301-P304 WeakPolarHBondContact O-CD 3.09Å; L301-P304 WeakPolarHBondContact O-CG 3.46Å; L301-L305 HydrophobicContact CB-CD1 4.23Å; L301-L305 WeakPolarHBondContact O-CB 3.28Å; L301-L305 WeakPolarHBondContact O-CG 3.17Å; L301-L305 PolarHBondContact O-N 3.02Å; L301-V349 HydrophobicContact CD1-CG1 3.91Å; L301-L353 HydrophobicContact CB-CD1 4.18Å
302	A	93	Very high	91.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-56.2	-54.2	-178.8	0	0	0	0	0	112.3	G298 A300 L305 T306 L353 P356 I357	G298-A302 PolarHBondContact O-N 2.81Å; A300-A302 VanDerWaalsContact C-N 3.32Å; A300-A302 PolarHBondContact O-N 3.09Å; A302-L305 PolarHBondContact O-N 3.18Å; A302-T306 WeakPolarHBondContact O-CB 3.46Å; A302-T306 VanDerWaalsContact O-CG2 3.27Å; A302-T306 WeakPolarHBondContact O-CG2 3.34Å; A302-T306 PolarHBondContact O-N 2.9Å; A302-T306 PolarHBondContact O-OG1 2.83Å; A302-L353 HydrophobicContact CB-CD1 3.94Å; A302-P356 HydrophobicContact CB-CB 3.9Å; A302-P356 HydrophobicContact CB-CG 3.95Å; A302-I357 HydrophobicContact CB-CG1 4.35Å
303	K	90.4	Very high	92.1	Very high	40 Å²	40	43.9 Å²	43.9	17%	0.174	23%	0.231	C	C	.	.	H	α-helix	trans	-56.7	-58.7	179.3	-176.3	60	164.3	82.4	0	113.8	T161 I164 S168 L301 L305 T306 D307	T161-K303 VanDerWaalsContact O-CE 3.29Å; T161-K303 WeakPolarHBondContact O-CE 3.36Å; I164-K303 HydrophobicContact CB-CD 4.22Å; I164-K303 HydrophobicContact CG2-CB 4.42Å; I164-K303 HydrophobicContact CG2-CD 4.01Å; S168-K303 PolarHBondContact OG-N 3.07Å; L301-K303 PolarHBondContact O-N 2.66Å; K303-L305 VanDerWaalsContact C-N 3.29Å; K303-L305 PolarHBondContact O-N 2.75Å; K303-T306 PolarHBondContact O-N 2.87Å; K303-T306 VanDerWaalsContact O-N 3.11Å; K303-T306 PolarHBondContact O-OG1 2.81Å; K303-D307 IonicContact NZ-OD1 2.69Å; K303-D307 PolarHBondContact NZ-OD1 2.87Å; K303-D307 IonicContact NZ-OD2 2.69Å; K303-D307 PolarHBondContact NZ-OD2 2.69Å; K303-D307 PolarHBondContact O-N 2.78Å
304	P	92.6	Very high	92.3	Very high	70 Å²	70	41.3 Å²	41.3	46%	0.455	22%	0.216	S	C	.	.	H	α-helix	trans	-61.1	-35.8	-175.9	22.2	-32.7	0	0	0	113	A300 L301 D307 W308	A300-P304 VanDerWaalsContact O-CD 3.26Å; A300-P304 WeakPolarHBondContact O-CD 3.3Å; L301-P304 VanDerWaalsContact O-CD 3.29Å; L301-P304 WeakPolarHBondContact O-CD 3.09Å; L301-P304 WeakPolarHBondContact O-CG 3.46Å; P304-D307 PolarHBondContact O-N 3.35Å; P304-W308 PolarHBondContact O-N 2.95Å
305	L	93.1	Very high	92.4	Very high	55 Å²	55	41.3 Å²	41.3	29%	0.288	22%	0.216	S	C	.	.	H	α-helix	trans	-70.2	-36.7	176.7	-69.1	176.3	0	0	0	112.4	L301 A302 K303 D307 W308 K309 I314 L353	L301-L305 HydrophobicContact CB-CD1 4.23Å; L301-L305 WeakPolarHBondContact O-CB 3.28Å; L301-L305 WeakPolarHBondContact O-CG 3.17Å; L301-L305 PolarHBondContact O-N 3.02Å; A302-L305 PolarHBondContact O-N 3.18Å; K303-L305 VanDerWaalsContact C-N 3.29Å; K303-L305 PolarHBondContact O-N 2.75Å; L305-D307 VanDerWaalsContact C-N 3.32Å; L305-W308 WeakPolarHBondContact O-CB 3.24Å; L305-W308 PolarHBondContact O-N 3.32Å; L305-K309 PolarHBondContact O-N 3.09Å; L305-I314 HydrophobicContact CB-CD1 4.3Å; L305-I314 HydrophobicContact CB-CG1 4.41Å; L305-I314 HydrophobicContact CB-CG2 4.26Å; L305-L353 HydrophobicContact CD1-CD1 3.85Å; L305-L353 HydrophobicContact CD1-CD2 3.61Å; L305-L353 HydrophobicContact CD1-CG 4.41Å
306	T	90.7	Very high	92.5	Very high	14 Å²	14	43.6 Å²	43.6	9%	0.086	22%	0.223	C	C	.	.	H	α-helix	trans	-76	-18.3	176.2	59.4	0	0	0	0	114.6	I164 A302 K303 K309 K311 I357	I164-T306 HydrophobicContact CD1-CG2 4.28Å; I164-T306 HydrophobicContact CG2-CG2 4.42Å; I164-T306 WeakPolarHBondContact CG2-OG1 3.4Å; A302-T306 WeakPolarHBondContact O-CB 3.46Å; A302-T306 VanDerWaalsContact O-CG2 3.27Å; A302-T306 WeakPolarHBondContact O-CG2 3.34Å; A302-T306 PolarHBondContact O-N 2.9Å; A302-T306 PolarHBondContact O-OG1 2.83Å; K303-T306 PolarHBondContact O-N 2.87Å; K303-T306 VanDerWaalsContact O-N 3.11Å; K303-T306 PolarHBondContact O-OG1 2.81Å; T306-K309 CarbonylContact C-O 3.56Å; T306-K309 VanDerWaalsContact C-O 3.28Å; T306-K309 WeakPolarHBondContact CA-O 3.44Å; T306-K311 HydrophobicContact CG2-CB 3.93Å; T306-I357 HydrophobicContact CG2-CD1 3.83Å; T306-I357 HydrophobicContact CG2-CG1 4Å
307	D	86.3	Confident	92.7	Very high	93 Å²	93	46.5 Å²	46.5	50%	0.497	23%	0.231	S	C	.	.	H	α-helix	trans	-74	-33.2	168.7	-70.8	-22.3	0	0	0	111.1	K303 P304 L305	K303-D307 IonicContact NZ-OD1 2.69Å; K303-D307 PolarHBondContact NZ-OD1 2.87Å; K303-D307 IonicContact NZ-OD2 2.69Å; K303-D307 PolarHBondContact NZ-OD2 2.69Å; K303-D307 PolarHBondContact O-N 2.78Å; P304-D307 PolarHBondContact O-N 3.35Å; L305-D307 VanDerWaalsContact C-N 3.32Å
308	W	87.8	Confident	92.8	Very high	162 Å²	162	43.5 Å²	43.5	61%	0.614	22%	0.217	S	C	*	.	H	α-helix	trans	-74.4	-43.1	176.2	174.1	59.9	0	0	0	112.9	P304 L305 I314 W317	P304-W308 PolarHBondContact O-N 2.95Å; L305-W308 WeakPolarHBondContact O-CB 3.24Å; L305-W308 PolarHBondContact O-N 3.32Å; W308-I314 HydrophobicContact CE3-CD1 4.14Å; W308-I314 HydrophobicContact CZ3-CD1 4.23Å; W308-W317 AromaticContact CH2-CZ3 3.92Å; W308-W317 HydrophobicContact CH2-CZ3 3.92Å; W308-W317 AromaticContact CZ3-CZ3 3.88Å; W308-W317 HydrophobicContact CZ3-CZ3 3.88Å
309	K	90.1	Very high	92.9	Very high	98 Å²	98	43.5 Å²	43.5	43%	0.426	22%	0.217	S	C	.	.	S	Bend	trans	-140.3	155.8	179.8	-76.4	-65.3	-176	-174.3	0	111.9	L305 T306 K311 I314	L305-K309 PolarHBondContact O-N 3.09Å; T306-K309 CarbonylContact C-O 3.56Å; T306-K309 VanDerWaalsContact C-O 3.28Å; T306-K309 WeakPolarHBondContact CA-O 3.44Å; K309-K311 PolarHBondContact O-N 3.49Å; K309-I314 HydrophobicContact CB-CD1 3.89Å; K309-I314 HydrophobicContact CB-CG1 4.13Å
310	C	89.9	Confident	93.1	Very high	27 Å²	27	45 Å²	45	18%	0.182	23%	0.229	C	C	.	.			trans	-49.3	134.4	177.8	179.4	0	0	0	0	112	V312 T313 I314 T451	C310-V312 PolarHBondContact O-N 3.06Å; C310-V312 VanDerWaalsContact O-N 3.13Å; C310-T313 WeakPolarHBondContact O-CA 3.3Å; C310-T313 VanDerWaalsContact O-CB 3.31Å; C310-T313 WeakPolarHBondContact O-CB 2.86Å; C310-T313 PolarHBondContact O-N 3.31Å; C310-I314 PolarHBondContact O-N 2.85Å; C310-I314 VanDerWaalsContact O-N 3.09Å; C310-T451 PolarHBondContact SG-N 3.01Å; C310-T451 PolarHBondContact SG-OG1 3.44Å
311	K	92.6	Very high	93.3	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.017	23%	0.228	C	C	.	.	H	α-helix	trans	-49.1	-40.3	179.2	71.1	-168.6	167	-160.2	0	113.8	I164 T306 K309 T313 I314 F315 I357 V360 D364 L454	I164-K311 HydrophobicContact CD1-CB 4.22Å; I164-K311 HydrophobicContact CD1-CD 4.28Å; T306-K311 HydrophobicContact CG2-CB 3.93Å; K309-K311 PolarHBondContact O-N 3.49Å; K311-T313 VanDerWaalsContact C-N 3.31Å; K311-T313 PolarHBondContact O-N 3.1Å; K311-I314 PolarHBondContact O-N 2.95Å; K311-F315 VanDerWaalsContact O-CB 3.32Å; K311-F315 WeakPolarHBondContact O-CB 3.46Å; K311-F315 PolarHBondContact O-N 3.2Å; K311-I357 HydrophobicContact CB-CG2 3.97Å; K311-V360 HydrophobicContact CD-CG1 4.16Å; K311-D364 WeakPolarHBondContact CE-OD2 3.33Å; K311-D364 IonicContact NZ-OD1 3.06Å; K311-D364 PolarHBondContact NZ-OD1 3.16Å; K311-D364 IonicContact NZ-OD2 3.9Å; K311-D364 PolarHBondContact NZ-OD2 3.49Å; K311-L454 VanDerWaalsContact NZ-CD2 3.28Å
312	V	92.7	Very high	93.4	Very high	8 Å²	8	43.1 Å²	43.1	5%	0.048	21%	0.211	C	C	.	.	H	α-helix	trans	-63.4	-40.6	178.1	-175.9	0	0	0	0	110.7	C310 F315 W316 Y447	C310-V312 PolarHBondContact O-N 3.06Å; C310-V312 VanDerWaalsContact O-N 3.13Å; V312-F315 PolarHBondContact O-N 2.95Å; V312-W316 PolarHBondContact O-N 3.13Å; V312-W316 VanDerWaalsContact O-N 3.16Å; V312-Y447 HydrophobicContact CB-CD1 4.44Å; V312-Y447 HydrophobicContact CG1-CD1 3.97Å; V312-Y447 HydrophobicContact CG2-CD1 3.58Å; V312-Y447 HydrophobicContact CG2-CE1 3.57Å
313	T	93.3	Very high	93.6	Very high	38 Å²	38	43.6 Å²	43.6	23%	0.233	22%	0.215	C	C	.	.	H	α-helix	trans	-65.8	-48.2	178.5	-55.5	0	0	0	0	111.4	C310 K311 F315 W316 W317	C310-T313 WeakPolarHBondContact O-CA 3.3Å; C310-T313 VanDerWaalsContact O-CB 3.31Å; C310-T313 WeakPolarHBondContact O-CB 2.86Å; C310-T313 PolarHBondContact O-N 3.31Å; K311-T313 VanDerWaalsContact C-N 3.31Å; K311-T313 PolarHBondContact O-N 3.1Å; T313-F315 VanDerWaalsContact C-N 3.28Å; T313-F315 PolarHBondContact O-N 2.71Å; T313-W316 PolarHBondContact O-N 2.95Å; T313-W317 HydrophobicContact CG2-CD2 3.87Å; T313-W317 HydrophobicContact CG2-CE3 4.22Å; T313-W317 HydrophobicContact CG2-CG 4.43Å; T313-W317 HydrophobicContact CG2-CH2 4.09Å; T313-W317 HydrophobicContact CG2-CZ2 3.71Å; T313-W317 HydrophobicContact CG2-CZ3 4.32Å; T313-W317 WeakPolarHBondContact O-CB 3.12Å; T313-W317 VanDerWaalsContact O-CG 3.31Å; T313-W317 PolarHBondContact O-N 3.4Å
314	I	95.2	Very high	93.9	Very high	6 Å²	6	46.2 Å²	46.2	3%	0.031	23%	0.234	C	C	.	.	H	α-helix	trans	-60.1	-41.3	176.1	-61.8	-57.8	0	0	0	110.8	L305 W308 K309 C310 K311 W317 T318 I357	L305-I314 HydrophobicContact CB-CD1 4.3Å; L305-I314 HydrophobicContact CB-CG1 4.41Å; L305-I314 HydrophobicContact CB-CG2 4.26Å; W308-I314 HydrophobicContact CE3-CD1 4.14Å; W308-I314 HydrophobicContact CZ3-CD1 4.23Å; K309-I314 HydrophobicContact CB-CD1 3.89Å; K309-I314 HydrophobicContact CB-CG1 4.13Å; C310-I314 PolarHBondContact O-N 2.85Å; C310-I314 VanDerWaalsContact O-N 3.09Å; K311-I314 PolarHBondContact O-N 2.95Å; I314-W317 HydrophobicContact CD1-CE3 4.41Å; I314-T318 VanDerWaalsContact O-CB 3.26Å; I314-T318 WeakPolarHBondContact O-CB 3.49Å; I314-T318 PolarHBondContact O-N 3.16Å; I314-T318 PolarHBondContact O-OG1 3.03Å; I314-I357 HydrophobicContact CB-CD1 4.2Å; I314-I357 HydrophobicContact CG2-CD1 3.64Å
315	F	96.1	Very high	94.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-58.8	-53.1	180	-172	-84.8	0	0	0	112.6	L255 K311 V312 T313 T318 N319 V354 I357 Q358 M361 A443	L255-F315 HydrophobicContact CB-CZ 4.43Å; L255-F315 HydrophobicContact CD1-CE1 4.13Å; L255-F315 HydrophobicContact CD1-CZ 4.4Å; L255-F315 HydrophobicContact CD2-CE1 4.28Å; K311-F315 VanDerWaalsContact O-CB 3.32Å; K311-F315 WeakPolarHBondContact O-CB 3.46Å; K311-F315 PolarHBondContact O-N 3.2Å; V312-F315 PolarHBondContact O-N 2.95Å; T313-F315 VanDerWaalsContact C-N 3.28Å; T313-F315 PolarHBondContact O-N 2.71Å; F315-T318 PolarHBondContact O-N 2.96Å; F315-N319 WeakPolarHBondContact CE1-ND2 3.22Å; F315-N319 PolarHBondContact O-N 3.27Å; F315-N319 PolarHBondContact O-ND2 2.91Å; F315-V354 HydrophobicContact CD2-CG1 3.67Å; F315-V354 HydrophobicContact CE1-CG1 4.47Å; F315-V354 HydrophobicContact CE2-CB 4.5Å; F315-V354 HydrophobicContact CE2-CG1 3.21Å; F315-V354 HydrophobicContact CG-CG1 4.49Å; F315-V354 HydrophobicContact CZ-CG1 3.67Å; F315-I357 HydrophobicContact CB-CG2 4.03Å; F315-I357 HydrophobicContact CD2-CB 4.13Å; F315-I357 HydrophobicContact CD2-CG2 3.78Å; F315-I357 HydrophobicContact CG-CG2 4.39Å; F315-Q358 HydrophobicContact CE2-CB 3.84Å; F315-Q358 HydrophobicContact CE2-CG 4.04Å; F315-Q358 HydrophobicContact CZ-CG 4.33Å; F315-M361 HydrophobicContact CB-SD 4.44Å; F315-M361 HydrophobicContact CD1-SD 4.47Å; F315-M361 HydrophobicContact CD2-SD 3.68Å; F315-M361 HydrophobicContact CE2-SD 3.94Å; F315-M361 HydrophobicContact CG-SD 3.96Å; F315-M361 HydrophobicContact CZ-SD 4.46Å; F315-A443 HydrophobicContact CD1-CB 3.69Å; F315-A443 HydrophobicContact CE1-CB 3.93Å
316	W	95.7	Very high	94.2	Very high	60 Å²	60	41.5 Å²	41.5	23%	0.227	21%	0.205	C	C	.	.	H	α-helix	trans	-74.9	-32.5	-176.8	78.9	-103.4	0	0	0	112.4	V312 T313 A320 A443 K444	V312-W316 PolarHBondContact O-N 3.13Å; V312-W316 VanDerWaalsContact O-N 3.16Å; T313-W316 PolarHBondContact O-N 2.95Å; W316-A320 WeakPolarHBondContact O-CB 3.3Å; W316-A320 PolarHBondContact O-N 2.87Å; W316-A443 HydrophobicContact CB-CB 4.1Å; W316-K444 HydrophobicContact CB-CB 4.33Å; W316-K444 HydrophobicContact CD2-CB 4.17Å; W316-K444 HydrophobicContact CD2-CD 4.16Å; W316-K444 HydrophobicContact CD2-CG 4.29Å; W316-K444 HydrophobicContact CE3-CD 4.08Å; W316-K444 HydrophobicContact CG-CB 4.05Å; W316-K444 HydrophobicContact CH2-CD 4.08Å; W316-K444 HydrophobicContact CZ2-CD 4.11Å; W316-K444 HydrophobicContact CZ3-CD 4.05Å
317	W	96.5	Very high	94.4	Very high	107 Å²	107	44.7 Å²	44.7	41%	0.405	22%	0.222	S	C	.	.	H	α-helix	trans	-60	-47	171	-77.6	-0.6	0	0	0	111.7	W308 T313 I314 A320 L321	W308-W317 AromaticContact CH2-CZ3 3.92Å; W308-W317 HydrophobicContact CH2-CZ3 3.92Å; W308-W317 AromaticContact CZ3-CZ3 3.88Å; W308-W317 HydrophobicContact CZ3-CZ3 3.88Å; T313-W317 HydrophobicContact CG2-CD2 3.87Å; T313-W317 HydrophobicContact CG2-CE3 4.22Å; T313-W317 HydrophobicContact CG2-CG 4.43Å; T313-W317 HydrophobicContact CG2-CH2 4.09Å; T313-W317 HydrophobicContact CG2-CZ2 3.71Å; T313-W317 HydrophobicContact CG2-CZ3 4.32Å; T313-W317 WeakPolarHBondContact O-CB 3.12Å; T313-W317 VanDerWaalsContact O-CG 3.31Å; T313-W317 PolarHBondContact O-N 3.4Å; I314-W317 HydrophobicContact CD1-CE3 4.41Å; W317-A320 PolarHBondContact O-N 3.38Å; W317-L321 WeakPolarHBondContact O-CB 3.32Å; W317-L321 PolarHBondContact O-N 3.3Å
318	T	97	Very high	94.7	Very high	10 Å²	10	42.2 Å²	42.2	6%	0.061	21%	0.214	C	C	.	.	H	α-helix	trans	-65.6	-42.1	-178.6	-54	0	0	0	0	111	I314 F315 L321 L322 L350 L353 V354	I314-T318 VanDerWaalsContact O-CB 3.26Å; I314-T318 WeakPolarHBondContact O-CB 3.49Å; I314-T318 PolarHBondContact O-N 3.16Å; I314-T318 PolarHBondContact O-OG1 3.03Å; F315-T318 PolarHBondContact O-N 2.96Å; T318-L321 PolarHBondContact O-N 2.76Å; T318-L322 HydrophobicContact CG2-CD1 4.3Å; T318-L322 WeakPolarHBondContact O-CB 3.4Å; T318-L322 WeakPolarHBondContact O-CG 3.38Å; T318-L322 PolarHBondContact O-N 3.3Å; T318-L350 HydrophobicContact CG2-CB 3.95Å; T318-L350 HydrophobicContact CG2-CD2 4.04Å; T318-L350 WeakPolarHBondContact CG2-O 3.33Å; T318-L353 HydrophobicContact CG2-CB 4.33Å; T318-L353 HydrophobicContact CG2-CD2 3.81Å; T318-L353 HydrophobicContact CG2-CG 4.18Å; T318-V354 HydrophobicContact CG2-CG2 3.49Å; T318-V354 VanDerWaalsContact CG2-CG2 3.49Å
319	N	97.5	Very high	95	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.1	-41.2	174.4	-86.2	-86.1	0	0	0	112.8	N259 F315 L321 L322 A323 V354 Y436 S439 A440	N259-N319 PolarHBondContact OD1-OD1 2.92Å; F315-N319 WeakPolarHBondContact CE1-ND2 3.22Å; F315-N319 PolarHBondContact O-N 3.27Å; F315-N319 PolarHBondContact O-ND2 2.91Å; N319-L321 VanDerWaalsContact C-N 3.34Å; N319-L321 PolarHBondContact O-N 3.15Å; N319-L322 WeakPolarHBondContact O-CB 3.25Å; N319-L322 PolarHBondContact O-N 2.97Å; N319-A323 PolarHBondContact O-N 3.15Å; N319-V354 WeakPolarHBondContact ND2-CG1 3.39Å; N319-Y436 WeakPolarHBondContact O-CB 3.49Å; N319-Y436 WeakPolarHBondContact OD1-CD1 3.26Å; N319-S439 PolarHBondContact OD1-OG 3.49Å; N319-A440 HydrophobicContact CB-CB 3.82Å
320	A	97.3	Very high	95.1	Very high	32 Å²	32	34 Å²	34	26%	0.264	18%	0.182	S	C	.	.	H	α-helix	trans	-62.8	-42.3	175.2	0	0	0	0	0	111.4	W316 W317 A323 V324 A440	W316-A320 WeakPolarHBondContact O-CB 3.3Å; W316-A320 PolarHBondContact O-N 2.87Å; W317-A320 PolarHBondContact O-N 3.38Å; A320-A323 WeakPolarHBondContact O-CB 3.47Å; A320-A323 PolarHBondContact O-N 3.14Å; A320-V324 WeakPolarHBondContact O-CG2 3.47Å; A320-V324 PolarHBondContact O-N 2.58Å; A320-V324 VanDerWaalsContact O-N 3.08Å; A320-A440 HydrophobicContact CB-CB 4.19Å
321	L	97.1	Very high	95.1	Very high	81 Å²	81	39.8 Å²	39.8	42%	0.424	21%	0.205	S	C	.	.	H	α-helix	trans	-65.8	-40.9	176.1	-175.4	60.3	0	0	0	112	W317 T318 N319 A323 V324 I325 L350	W317-L321 WeakPolarHBondContact O-CB 3.32Å; W317-L321 PolarHBondContact O-N 3.3Å; T318-L321 PolarHBondContact O-N 2.76Å; N319-L321 VanDerWaalsContact C-N 3.34Å; N319-L321 PolarHBondContact O-N 3.15Å; L321-A323 VanDerWaalsContact C-N 3.31Å; L321-A323 PolarHBondContact O-N 3.16Å; L321-V324 PolarHBondContact O-N 2.93Å; L321-I325 HydrophobicContact CD1-CD1 3.93Å; L321-I325 HydrophobicContact CD1-CG1 4.13Å; L321-I325 HydrophobicContact CD2-CD1 4.45Å; L321-I325 HydrophobicContact CG-CD1 3.85Å; L321-I325 HydrophobicContact CG-CG1 4.38Å; L321-I325 WeakPolarHBondContact O-CB 3.14Å; L321-I325 WeakPolarHBondContact O-CG1 3.04Å; L321-I325 PolarHBondContact O-N 2.86Å; L321-L350 HydrophobicContact CB-CD1 4.42Å; L321-L350 HydrophobicContact CD2-CD1 3.76Å; L321-L350 HydrophobicContact CD2-CD2 3.88Å; L321-L350 HydrophobicContact CD2-CG 4.5Å; L321-L350 HydrophobicContact CG-CD1 3.77Å
322	L	96.8	Very high	94.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-58.2	-42	172.7	-85.6	163.3	0	0	0	111.9	T318 N319 S326 L350 H351 V354 Y436	T318-L322 HydrophobicContact CG2-CD1 4.3Å; T318-L322 WeakPolarHBondContact O-CB 3.4Å; T318-L322 WeakPolarHBondContact O-CG 3.38Å; T318-L322 PolarHBondContact O-N 3.3Å; N319-L322 WeakPolarHBondContact O-CB 3.25Å; N319-L322 PolarHBondContact O-N 2.97Å; L322-S326 WeakPolarHBondContact O-CB 3.46Å; L322-S326 PolarHBondContact O-N 3.4Å; L322-S326 PolarHBondContact O-OG 3.48Å; L322-L350 HydrophobicContact CD1-CB 4.14Å; L322-L350 HydrophobicContact CD2-CB 3.63Å; L322-L350 HydrophobicContact CD2-CD1 4.38Å; L322-L350 HydrophobicContact CG-CB 3.65Å; L322-L350 HydrophobicContact CG-CD1 4.33Å; L322-H351 HydrophobicContact CD2-CB 4.42Å; L322-V354 HydrophobicContact CD1-CG2 4.06Å; L322-Y436 HydrophobicContact CB-CD1 4.12Å; L322-Y436 HydrophobicContact CB-CD2 3.72Å; L322-Y436 HydrophobicContact CB-CE2 4.18Å; L322-Y436 HydrophobicContact CB-CG 3.71Å; L322-Y436 HydrophobicContact CD1-CD1 3.93Å; L322-Y436 HydrophobicContact CD1-CE1 3.84Å; L322-Y436 HydrophobicContact CD1-CG 4.39Å; L322-Y436 HydrophobicContact CD2-CE2 4.25Å
323	A	96.9	Very high	94.4	Very high	10 Å²	10	44.5 Å²	44.5	8%	0.083	24%	0.236	C	C	.	.	H	α-helix	trans	-61.6	-47	176	0	0	0	0	0	111.4	N319 A320 L321 S326 L327 A433 L437	N319-A323 PolarHBondContact O-N 3.15Å; A320-A323 WeakPolarHBondContact O-CB 3.47Å; A320-A323 PolarHBondContact O-N 3.14Å; L321-A323 VanDerWaalsContact C-N 3.31Å; L321-A323 PolarHBondContact O-N 3.16Å; A323-S326 PolarHBondContact O-N 2.85Å; A323-L327 WeakPolarHBondContact O-CB 3.43Å; A323-L327 PolarHBondContact O-N 3.01Å; A323-A433 WeakPolarHBondContact CB-O 3.45Å; A323-L437 HydrophobicContact CB-CB 4.04Å
324	V	97	Very high	93.5	Very high	95 Å²	95	47.7 Å²	47.7	58%	0.576	25%	0.249	S	C	*	.	H	α-helix	trans	-62.4	-48	178.6	172.6	0	0	0	0	111.6	A320 L321 L327 A328	A320-V324 WeakPolarHBondContact O-CG2 3.47Å; A320-V324 PolarHBondContact O-N 2.58Å; A320-V324 VanDerWaalsContact O-N 3.08Å; L321-V324 PolarHBondContact O-N 2.93Å; V324-L327 PolarHBondContact O-N 3.01Å; V324-A328 WeakPolarHBondContact O-CB 3.33Å; V324-A328 PolarHBondContact O-N 3.19Å
325	I	96.1	Very high	92.4	Very high	26 Å²	26	56.2 Å²	56.2	13%	0.133	29%	0.289	C	S	.	.	H	α-helix	trans	-68.3	-39.4	-178.3	-68.4	178.5	0	0	0	111.1	L321 L327 A328 M329 F343 V346 I347 L350	L321-I325 HydrophobicContact CD1-CD1 3.93Å; L321-I325 HydrophobicContact CD1-CG1 4.13Å; L321-I325 HydrophobicContact CD2-CD1 4.45Å; L321-I325 HydrophobicContact CG-CD1 3.85Å; L321-I325 HydrophobicContact CG-CG1 4.38Å; L321-I325 WeakPolarHBondContact O-CB 3.14Å; L321-I325 WeakPolarHBondContact O-CG1 3.04Å; L321-I325 PolarHBondContact O-N 2.86Å; I325-L327 VanDerWaalsContact C-N 3.3Å; I325-L327 PolarHBondContact O-N 3.25Å; I325-A328 PolarHBondContact O-N 3.34Å; I325-M329 PolarHBondContact O-N 2.99Å; I325-F343 HydrophobicContact CG2-CD1 3.61Å; I325-F343 HydrophobicContact CG2-CE1 3.88Å; I325-V346 HydrophobicContact CD1-CG1 3.63Å; I325-I347 HydrophobicContact CG2-CD1 4.21Å; I325-I347 HydrophobicContact CG2-CG1 3.87Å; I325-L350 HydrophobicContact CD1-CD1 3.57Å
326	S	95.1	Very high	91.8	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63.3	-38.2	176.2	-60.6	0	0	0	0	111.7	R266 L322 A323 T429	R266-S326 PolarHBondContact NH1-OG 3.25Å; R266-S326 PolarHBondContact NH2-OG 3.14Å; L322-S326 WeakPolarHBondContact O-CB 3.46Å; L322-S326 PolarHBondContact O-N 3.4Å; L322-S326 PolarHBondContact O-OG 3.48Å; A323-S326 PolarHBondContact O-N 2.85Å; S326-T429 WeakPolarHBondContact O-CB 3.39Å
327	L	94.8	Very high	91.1	Very high	82 Å²	82	57.3 Å²	57.3	43%	0.429	31%	0.307	S	S	.	.	H	α-helix	trans	-73.6	-39	174.5	-175.1	63.5	0	0	0	111.9	A323 V324 I325 M329 F330 F331 A433	A323-L327 WeakPolarHBondContact O-CB 3.43Å; A323-L327 PolarHBondContact O-N 3.01Å; V324-L327 PolarHBondContact O-N 3.01Å; I325-L327 VanDerWaalsContact C-N 3.3Å; I325-L327 PolarHBondContact O-N 3.25Å; L327-M329 PolarHBondContact O-N 3.27Å; L327-F330 WeakPolarHBondContact O-CB 3.46Å; L327-F330 PolarHBondContact O-N 3.25Å; L327-F331 HydrophobicContact CG-CE2 4.34Å; L327-F331 WeakPolarHBondContact O-CD2 3.35Å; L327-A433 HydrophobicContact CB-CB 4.26Å
328	A	94.2	Very high	90.7	Very high	41 Å²	41	58.6 Å²	58.6	34%	0.339	32%	0.321	S	S	.	.	H	α-helix	trans	-59.9	-36.2	176	0	0	0	0	0	111.6	V324 I325 F330 F331 F343	V324-A328 WeakPolarHBondContact O-CB 3.33Å; V324-A328 PolarHBondContact O-N 3.19Å; I325-A328 PolarHBondContact O-N 3.34Å; A328-F330 PolarHBondContact O-N 2.95Å; A328-F331 PolarHBondContact O-N 3.24Å; A328-F331 VanDerWaalsContact O-N 3.08Å; A328-F343 HydrophobicContact CB-CE1 4.02Å; A328-F343 HydrophobicContact CB-CZ 4.24Å
329	M	92.9	Very high	90.4	Very high	1 Å²	1	61 Å²	61	1%	0.005	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-60	-26.9	176	-164.3	175.5	-171.2	0	0	113.2	I325 L327 F331 V332 M340 F343 I347 F428 T429	I325-M329 PolarHBondContact O-N 2.99Å; L327-M329 PolarHBondContact O-N 3.27Å; M329-F331 PolarHBondContact O-N 3.4Å; M329-V332 PolarHBondContact O-N 3.29Å; M329-M340 HydrophobicContact CE-CB 4.32Å; M329-M340 HydrophobicContact CE-CG 4.5Å; M329-M340 HydrophobicContact CE-SD 3.5Å; M329-M340 VanDerWaalsContact CE-SD 3.5Å; M329-M340 HydrophobicContact CG-SD 4Å; M329-F343 HydrophobicContact CB-CD1 3.95Å; M329-F343 HydrophobicContact CB-CE1 4.26Å; M329-F343 HydrophobicContact CB-CG 4.27Å; M329-F343 HydrophobicContact CE-CB 3.94Å; M329-F343 HydrophobicContact CG-CB 4.15Å; M329-F343 HydrophobicContact CG-CD1 4.24Å; M329-F343 HydrophobicContact CG-CG 4.06Å; M329-F343 HydrophobicContact SD-CB 3.94Å; M329-F343 HydrophobicContact SD-CG 4.45Å; M329-I347 HydrophobicContact SD-CD1 3.88Å; M329-F428 HydrophobicContact CE-CD1 4.02Å; M329-F428 HydrophobicContact CE-CE1 3.6Å; M329-F428 HydrophobicContact SD-CD1 4.26Å; M329-F428 HydrophobicContact SD-CE1 4.16Å; M329-T429 HydrophobicContact CB-CG2 4.01Å; M329-T429 HydrophobicContact CG-CG2 4.02Å; M329-T429 HydrophobicContact SD-CG2 4.43Å
330	F	91.7	Very high	90.1	Very high	85 Å²	85	61 Å²	61	37%	0.373	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-62.3	-31.1	175.3	179.6	-99	0	0	0	112.8	L327 A328 I425 T429 I430	L327-F330 WeakPolarHBondContact O-CB 3.46Å; L327-F330 PolarHBondContact O-N 3.25Å; A328-F330 PolarHBondContact O-N 2.95Å; F330-I425 HydrophobicContact CD2-CG2 3.6Å; F330-I425 HydrophobicContact CE2-CG2 3.81Å; F330-T429 HydrophobicContact CB-CG2 4.48Å; F330-I430 HydrophobicContact CD2-CD1 3.61Å; F330-I430 HydrophobicContact CD2-CG1 3.85Å; F330-I430 HydrophobicContact CE2-CD1 3.56Å; F330-I430 HydrophobicContact CE2-CG1 4.31Å; F330-I430 HydrophobicContact CG-CD1 4.26Å; F330-I430 HydrophobicContact CG-CG1 4.29Å; F330-I430 HydrophobicContact CZ-CD1 4.15Å
331	F	90.9	Very high	89.9	Confident	149 Å²	149	61.9 Å²	61.9	65%	0.654	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-89.7	-1	-176.5	-62.1	-78.5	0	0	0	113.7	L327 A328 M329	L327-F331 HydrophobicContact CG-CE2 4.34Å; L327-F331 WeakPolarHBondContact O-CD2 3.35Å; A328-F331 PolarHBondContact O-N 3.24Å; A328-F331 VanDerWaalsContact O-N 3.08Å; M329-F331 PolarHBondContact O-N 3.4Å
332	V	88.3	Confident	89.8	Confident	22 Å²	22	62.1 Å²	62.1	13%	0.133	34%	0.338	C	S	.	.	S	Bend	trans	-78	129.2	-178.5	-177.2	0	0	0	0	109.5	M329 A336 T339 M340 F343	M329-V332 PolarHBondContact O-N 3.29Å; V332-A336 HydrophobicContact CG1-CB 3.96Å; V332-T339 HydrophobicContact CG1-CG2 3.83Å; V332-T339 HydrophobicContact CG2-CG2 4.42Å; V332-M340 HydrophobicContact CB-CE 3.46Å; V332-M340 VanDerWaalsContact CB-CE 3.46Å; V332-M340 HydrophobicContact CB-SD 4.09Å; V332-M340 HydrophobicContact CG1-CE 3.45Å; V332-M340 VanDerWaalsContact CG1-CE 3.45Å; V332-M340 HydrophobicContact CG1-SD 3.96Å; V332-F343 HydrophobicContact CG2-CD2 3.97Å; V332-F343 HydrophobicContact CG2-CE2 3.38Å; V332-F343 HydrophobicContact CG2-CZ 3.94Å
333	P	82.5	Confident	89.8	Confident	89 Å²	89	64 Å²	64	58%	0.578	35%	0.347	S	S	*	.			trans	-57.9	140	177.6	-23.8	33.2	0	0	0	112.4	Q335 A336	P333-Q335 PolarHBondContact O-N 3.08Å; P333-A336 WeakPolarHBondContact O-CB 3.45Å; P333-A336 PolarHBondContact O-N 3.29Å
334	M	73.6	Confident	89.6	Confident	106 Å²	106	63.6 Å²	63.6	52%	0.522	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-25.6	-175.6	-62.4	-178.2	-119.6	0	0	113.9	I277	I277-M334 HydrophobicContact CG2-CB 4.21Å; I277-M334 HydrophobicContact CG2-CG 3.86Å; I277-M334 HydrophobicContact CG2-SD 4.29Å
335	Q	72.6	Confident	89.6	Confident	185 Å²	185	62.4 Å²	62.4	86%	0.864	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-11.3	-178.2	-56.3	174.8	13.2	0	0	113.5	P333 S337	P333-Q335 PolarHBondContact O-N 3.08Å; Q335-S337 VanDerWaalsContact C-N 3.28Å; Q335-S337 PolarHBondContact O-N 3.02Å
336	A	83.9	Confident	89.6	Confident	29 Å²	29	63.6 Å²	63.6	24%	0.24	34%	0.338	C	S	.	.			trans	-86.1	60.9	-173.6	0	0	0	0	0	112.2	V332 P333 I338 T339 M340	V332-A336 HydrophobicContact CG1-CB 3.96Å; P333-A336 WeakPolarHBondContact O-CB 3.45Å; P333-A336 PolarHBondContact O-N 3.29Å; A336-I338 PolarHBondContact O-N 2.68Å; A336-T339 WeakPolarHBondContact O-CB 3.46Å; A336-T339 PolarHBondContact O-N 3.05Å; A336-T339 VanDerWaalsContact O-N 3.08Å; A336-M340 PolarHBondContact O-N 3.09Å
337	S	81.4	Confident	89.6	Confident	53 Å²	53	63.6 Å²	63.6	37%	0.371	34%	0.338	S	S	.	.	H	α-helix	trans	-55.4	-45.3	-174	49.7	0	0	0	0	113.4	Q335 T339 M340 F341	Q335-S337 VanDerWaalsContact C-N 3.28Å; Q335-S337 PolarHBondContact O-N 3.02Å; S337-T339 VanDerWaalsContact C-N 3.31Å; S337-T339 PolarHBondContact O-N 2.81Å; S337-M340 WeakPolarHBondContact O-CB 3.39Å; S337-M340 PolarHBondContact O-N 2.89Å; S337-M340 VanDerWaalsContact O-N 3.09Å; S337-F341 WeakPolarHBondContact O-CD2 3.38Å; S337-F341 PolarHBondContact O-N 3Å
338	I	87.3	Confident	89.6	Confident	134 Å²	134	59.7 Å²	59.7	69%	0.687	32%	0.318	S	S	*	.	H	α-helix	trans	-59.4	-41.6	177	-62	175.3	0	0	0	111.5	A336 M340 F341 V342	A336-I338 PolarHBondContact O-N 2.68Å; I338-M340 VanDerWaalsContact C-N 3.26Å; I338-M340 PolarHBondContact O-N 2.69Å; I338-F341 WeakPolarHBondContact O-CB 3.18Å; I338-F341 PolarHBondContact O-N 2.98Å; I338-F341 VanDerWaalsContact O-N 3.16Å; I338-V342 PolarHBondContact O-N 2.95Å; I338-V342 VanDerWaalsContact O-N 3.15Å
339	T	90.7	Very high	89.8	Confident	62 Å²	62	58.6 Å²	58.6	38%	0.38	31%	0.307	S	S	.	.	H	α-helix	trans	-61.4	-38.3	177.9	-53.9	0	0	0	0	110.9	V332 A336 S337 F341 V342 F343	V332-T339 HydrophobicContact CG1-CG2 3.83Å; V332-T339 HydrophobicContact CG2-CG2 4.42Å; A336-T339 WeakPolarHBondContact O-CB 3.46Å; A336-T339 PolarHBondContact O-N 3.05Å; A336-T339 VanDerWaalsContact O-N 3.08Å; S337-T339 VanDerWaalsContact C-N 3.31Å; S337-T339 PolarHBondContact O-N 2.81Å; T339-F341 PolarHBondContact O-N 2.95Å; T339-V342 WeakPolarHBondContact O-CB 3.49Å; T339-V342 PolarHBondContact O-N 2.86Å; T339-F343 HydrophobicContact CG2-CD2 3.86Å; T339-F343 HydrophobicContact CG2-CE2 3.72Å; T339-F343 VanDerWaalsContact O-CD2 3.29Å; T339-F343 WeakPolarHBondContact O-CD2 3.33Å; T339-F343 PolarHBondContact O-N 2.79Å
340	M	91.7	Very high	89.9	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-65.6	-36.1	176	-61.9	-60.6	-172.3	0	0	113	Y273 L278 F287 M329 V332 A336 S337 I338 V342 F343 I344	Y273-M340 HydrophobicContact CE1-SD 4.48Å; Y273-M340 WeakPolarHBondContact OH-CE 3.28Å; L278-M340 HydrophobicContact CD2-CB 4.36Å; L278-M340 HydrophobicContact CD2-CG 4.02Å; F287-M340 HydrophobicContact CE2-CB 4.02Å; F287-M340 HydrophobicContact CZ-CB 4.43Å; M329-M340 HydrophobicContact CE-CB 4.32Å; M329-M340 HydrophobicContact CE-CG 4.5Å; M329-M340 HydrophobicContact CE-SD 3.5Å; M329-M340 VanDerWaalsContact CE-SD 3.5Å; M329-M340 HydrophobicContact CG-SD 4Å; V332-M340 HydrophobicContact CB-CE 3.46Å; V332-M340 VanDerWaalsContact CB-CE 3.46Å; V332-M340 HydrophobicContact CB-SD 4.09Å; V332-M340 HydrophobicContact CG1-CE 3.45Å; V332-M340 VanDerWaalsContact CG1-CE 3.45Å; V332-M340 HydrophobicContact CG1-SD 3.96Å; A336-M340 PolarHBondContact O-N 3.09Å; S337-M340 WeakPolarHBondContact O-CB 3.39Å; S337-M340 PolarHBondContact O-N 2.89Å; S337-M340 VanDerWaalsContact O-N 3.09Å; I338-M340 VanDerWaalsContact C-N 3.26Å; I338-M340 PolarHBondContact O-N 2.69Å; M340-V342 VanDerWaalsContact C-N 3.32Å; M340-V342 PolarHBondContact O-N 2.65Å; M340-F343 PolarHBondContact O-N 2.58Å; M340-I344 PolarHBondContact O-N 2.87Å
341	F	93.4	Very high	90	Very high	50 Å²	50	55.9 Å²	55.9	22%	0.219	30%	0.296	C	S	.	.	H	α-helix	trans	-61.8	-40	172.2	-86.4	-95.2	0	0	0	111.7	V283 A286 F287 T290 S337 I338 T339 I344 F345	V283-F341 HydrophobicContact CB-CZ 4.29Å; V283-F341 HydrophobicContact CG2-CE2 4.29Å; V283-F341 HydrophobicContact CG2-CZ 4.2Å; A286-F341 HydrophobicContact CB-CE1 4.1Å; A286-F341 HydrophobicContact CB-CZ 4.25Å; F287-F341 HydrophobicContact CB-CE1 4.11Å; F287-F341 HydrophobicContact CB-CZ 4.02Å; F287-F341 HydrophobicContact CD2-CD1 4.09Å; F287-F341 AromaticContact CD2-CD2 3.92Å; F287-F341 HydrophobicContact CD2-CD2 3.92Å; F287-F341 AromaticContact CD2-CE1 3.99Å; F287-F341 HydrophobicContact CD2-CE1 3.99Å; F287-F341 AromaticContact CD2-CE2 3.8Å; F287-F341 HydrophobicContact CD2-CE2 3.8Å; F287-F341 HydrophobicContact CD2-CG 4.06Å; F287-F341 AromaticContact CD2-CZ 3.83Å; F287-F341 HydrophobicContact CD2-CZ 3.83Å; F287-F341 HydrophobicContact CE2-CD2 4.31Å; F287-F341 HydrophobicContact CE2-CG 4.44Å; F287-F341 HydrophobicContact CG-CZ 4.45Å; T290-F341 HydrophobicContact CG2-CD1 4.15Å; T290-F341 WeakPolarHBondContact OG1-CD1 3.19Å; S337-F341 WeakPolarHBondContact O-CD2 3.38Å; S337-F341 PolarHBondContact O-N 3Å; I338-F341 WeakPolarHBondContact O-CB 3.18Å; I338-F341 PolarHBondContact O-N 2.98Å; I338-F341 VanDerWaalsContact O-N 3.16Å; T339-F341 PolarHBondContact O-N 2.95Å; F341-I344 WeakPolarHBondContact O-CG2 3.45Å; F341-F345 WeakPolarHBondContact O-CB 3.01Å; F341-F345 PolarHBondContact O-N 3.49Å
342	V	94.8	Very high	90.1	Very high	85 Å²	85	49.7 Å²	49.7	52%	0.515	27%	0.269	S	S	.	.	H	α-helix	trans	-64.5	-46.7	174.8	177	0	0	0	0	110.9	I338 T339 M340 I344 F345 V346	I338-V342 PolarHBondContact O-N 2.95Å; I338-V342 VanDerWaalsContact O-N 3.15Å; T339-V342 WeakPolarHBondContact O-CB 3.49Å; T339-V342 PolarHBondContact O-N 2.86Å; M340-V342 VanDerWaalsContact C-N 3.32Å; M340-V342 PolarHBondContact O-N 2.65Å; V342-I344 PolarHBondContact O-N 3.11Å; V342-F345 PolarHBondContact O-N 3.09Å; V342-V346 HydrophobicContact CG1-CG2 4.48Å; V342-V346 WeakPolarHBondContact O-CG2 3.46Å; V342-V346 PolarHBondContact O-N 2.78Å
343	F	95	Very high	90.4	Very high	41 Å²	41	48.9 Å²	48.9	18%	0.18	26%	0.264	C	S	.	.	H	α-helix	trans	-58.4	-48.4	177.7	-89.7	-78	0	0	0	111.9	I325 A328 M329 V332 T339 M340 F345 V346 I347	I325-F343 HydrophobicContact CG2-CD1 3.61Å; I325-F343 HydrophobicContact CG2-CE1 3.88Å; A328-F343 HydrophobicContact CB-CE1 4.02Å; A328-F343 HydrophobicContact CB-CZ 4.24Å; M329-F343 HydrophobicContact CB-CD1 3.95Å; M329-F343 HydrophobicContact CB-CE1 4.26Å; M329-F343 HydrophobicContact CB-CG 4.27Å; M329-F343 HydrophobicContact CE-CB 3.94Å; M329-F343 HydrophobicContact CG-CB 4.15Å; M329-F343 HydrophobicContact CG-CD1 4.24Å; M329-F343 HydrophobicContact CG-CG 4.06Å; M329-F343 HydrophobicContact SD-CB 3.94Å; M329-F343 HydrophobicContact SD-CG 4.45Å; V332-F343 HydrophobicContact CG2-CD2 3.97Å; V332-F343 HydrophobicContact CG2-CE2 3.38Å; V332-F343 HydrophobicContact CG2-CZ 3.94Å; T339-F343 HydrophobicContact CG2-CD2 3.86Å; T339-F343 HydrophobicContact CG2-CE2 3.72Å; T339-F343 VanDerWaalsContact O-CD2 3.29Å; T339-F343 WeakPolarHBondContact O-CD2 3.33Å; T339-F343 PolarHBondContact O-N 2.79Å; M340-F343 PolarHBondContact O-N 2.58Å; F343-F345 VanDerWaalsContact C-N 3.32Å; F343-F345 PolarHBondContact O-N 2.68Å; F343-V346 PolarHBondContact O-N 2.93Å; F343-I347 VanDerWaalsContact O-CB 3.25Å; F343-I347 WeakPolarHBondContact O-CB 3.44Å; F343-I347 WeakPolarHBondContact O-CD1 3.19Å; F343-I347 VanDerWaalsContact O-CG1 3.3Å; F343-I347 WeakPolarHBondContact O-CG1 3.46Å; F343-I347 PolarHBondContact O-N 2.94Å
344	I	94	Very high	91	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-68.6	-33.3	-176.8	-156.7	64.2	0	0	0	112.2	M270 F287 T290 Y291 M340 F341 V342 I347 G348 F428	M270-I344 HydrophobicContact CE-CD1 3.82Å; M270-I344 HydrophobicContact CE-CG1 3.94Å; F287-I344 HydrophobicContact CD1-CG1 4.4Å; F287-I344 HydrophobicContact CD1-CG2 4.39Å; F287-I344 HydrophobicContact CD2-CG2 4.1Å; F287-I344 HydrophobicContact CE1-CB 3.97Å; F287-I344 HydrophobicContact CE1-CD1 4.22Å; F287-I344 HydrophobicContact CE1-CG1 3.74Å; F287-I344 HydrophobicContact CE1-CG2 4.05Å; F287-I344 HydrophobicContact CE2-CB 4.16Å; F287-I344 HydrophobicContact CE2-CG2 3.73Å; F287-I344 HydrophobicContact CG-CG2 4.43Å; F287-I344 HydrophobicContact CZ-CB 3.65Å; F287-I344 HydrophobicContact CZ-CD1 4.5Å; F287-I344 HydrophobicContact CZ-CG1 3.97Å; F287-I344 HydrophobicContact CZ-CG2 3.71Å; T290-I344 HydrophobicContact CG2-CG2 4.02Å; Y291-I344 HydrophobicContact CD2-CD1 4.01Å; Y291-I344 HydrophobicContact CD2-CG1 3.89Å; Y291-I344 HydrophobicContact CG-CG1 4.24Å; M340-I344 PolarHBondContact O-N 2.87Å; F341-I344 WeakPolarHBondContact O-CG2 3.45Å; V342-I344 PolarHBondContact O-N 3.11Å; I344-I347 HydrophobicContact CD1-CG2 4.23Å; I344-G348 PolarHBondContact O-N 2.95Å; I344-F428 HydrophobicContact CD1-CE1 4.26Å; I344-F428 HydrophobicContact CD1-CZ 3.78Å
345	F	95.9	Very high	91.8	Very high	71 Å²	71	41.1 Å²	41.1	31%	0.311	22%	0.221	S	C	.	.	H	α-helix	trans	-61	-53.3	172	177.5	-101.5	0	0	0	111.4	T290 V293 I297 F341 V342 F343 I347 G348 V349	T290-F345 HydrophobicContact CG2-CB 3.73Å; T290-F345 HydrophobicContact CG2-CD2 4.28Å; T290-F345 HydrophobicContact CG2-CG 4.48Å; V293-F345 HydrophobicContact CG1-CE2 4.22Å; I297-F345 HydrophobicContact CD1-CE2 3.96Å; I297-F345 HydrophobicContact CD1-CZ 3.69Å; F341-F345 WeakPolarHBondContact O-CB 3.01Å; F341-F345 PolarHBondContact O-N 3.49Å; V342-F345 PolarHBondContact O-N 3.09Å; F343-F345 VanDerWaalsContact C-N 3.32Å; F343-F345 PolarHBondContact O-N 2.68Å; F345-I347 VanDerWaalsContact C-N 3.31Å; F345-I347 PolarHBondContact O-N 2.88Å; F345-G348 PolarHBondContact O-N 2.93Å; F345-G348 VanDerWaalsContact O-N 3.09Å; F345-V349 HydrophobicContact CD1-CG2 4.48Å; F345-V349 HydrophobicContact CE1-CG2 4.07Å; F345-V349 HydrophobicContact CE2-CG2 4.5Å; F345-V349 HydrophobicContact CZ-CG2 4.09Å; F345-V349 WeakPolarHBondContact O-CG2 3.41Å; F345-V349 PolarHBondContact O-N 2.8Å
346	V	96.7	Very high	92.8	Very high	50 Å²	50	32.3 Å²	32.3	30%	0.303	18%	0.18	S	C	.	.	H	α-helix	trans	-62.4	-41.8	-179.2	175	0	0	0	0	111	I325 V342 F343 G348 V349 L350	I325-V346 HydrophobicContact CD1-CG1 3.63Å; V342-V346 HydrophobicContact CG1-CG2 4.48Å; V342-V346 WeakPolarHBondContact O-CG2 3.46Å; V342-V346 PolarHBondContact O-N 2.78Å; F343-V346 PolarHBondContact O-N 2.93Å; V346-G348 VanDerWaalsContact C-N 3.33Å; V346-G348 PolarHBondContact O-N 2.88Å; V346-V349 PolarHBondContact O-N 3.23Å; V346-L350 HydrophobicContact CG1-CD1 3.99Å; V346-L350 HydrophobicContact CG1-CG 4.37Å; V346-L350 WeakPolarHBondContact O-CG 3.34Å; V346-L350 PolarHBondContact O-N 2.8Å
347	I	96.2	Very high	93.2	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-57.6	-46.1	173.3	-81.3	164.5	0	0	0	110.8	Y291 I325 M329 F343 I344 F345 V349 L350 H351	Y291-I347 HydrophobicContact CD2-CG2 4.44Å; Y291-I347 HydrophobicContact CE2-CG2 3.98Å; I325-I347 HydrophobicContact CG2-CD1 4.21Å; I325-I347 HydrophobicContact CG2-CG1 3.87Å; M329-I347 HydrophobicContact SD-CD1 3.88Å; F343-I347 VanDerWaalsContact O-CB 3.25Å; F343-I347 WeakPolarHBondContact O-CB 3.44Å; F343-I347 WeakPolarHBondContact O-CD1 3.19Å; F343-I347 VanDerWaalsContact O-CG1 3.3Å; F343-I347 WeakPolarHBondContact O-CG1 3.46Å; F343-I347 PolarHBondContact O-N 2.94Å; I344-I347 HydrophobicContact CD1-CG2 4.23Å; F345-I347 VanDerWaalsContact C-N 3.31Å; F345-I347 PolarHBondContact O-N 2.88Å; I347-V349 PolarHBondContact O-N 2.84Å; I347-L350 PolarHBondContact O-N 2.91Å; I347-H351 WeakPolarHBondContact O-CB 3.32Å; I347-H351 PolarHBondContact O-N 3.44Å
348	G	94.6	Very high	93.7	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-59.8	-44.4	177.6	0	0	0	0	0	112.5	G294 N295 I344 F345 V346 Q352	G294-G348 VanDerWaalsContact C-C 3.49Å; N295-G348 WeakPolarHBondContact OD1-CA 3.33Å; N295-G348 PolarHBondContact OD1-O 3.01Å; I344-G348 PolarHBondContact O-N 2.95Å; F345-G348 PolarHBondContact O-N 2.93Å; F345-G348 VanDerWaalsContact O-N 3.09Å; V346-G348 VanDerWaalsContact C-N 3.33Å; V346-G348 PolarHBondContact O-N 2.88Å; G348-Q352 WeakPolarHBondContact O-CB 3.2Å; G348-Q352 PolarHBondContact O-N 3.17Å
349	V	96.8	Very high	93.8	Very high	19 Å²	19	23.8 Å²	23.8	12%	0.115	13%	0.126	C	C	.	.	H	α-helix	trans	-58.2	-53.4	175.5	177.2	0	0	0	0	111.4	G294 I297 G298 L301 F345 V346 I347 H351 L353	G294-V349 VanDerWaalsContact O-CA 3.26Å; G294-V349 WeakPolarHBondContact O-CA 3.43Å; G294-V349 WeakPolarHBondContact O-CG2 3.45Å; G294-V349 PolarHBondContact O-N 3.08Å; I297-V349 HydrophobicContact CB-CG2 4.23Å; I297-V349 HydrophobicContact CG2-CG1 4.32Å; I297-V349 HydrophobicContact CG2-CG2 4.25Å; G298-V349 WeakPolarHBondContact CA-O 3.31Å; L301-V349 HydrophobicContact CD1-CG1 3.91Å; F345-V349 HydrophobicContact CD1-CG2 4.48Å; F345-V349 HydrophobicContact CE1-CG2 4.07Å; F345-V349 HydrophobicContact CE2-CG2 4.5Å; F345-V349 HydrophobicContact CZ-CG2 4.09Å; F345-V349 WeakPolarHBondContact O-CG2 3.41Å; F345-V349 PolarHBondContact O-N 2.8Å; V346-V349 PolarHBondContact O-N 3.23Å; I347-V349 PolarHBondContact O-N 2.84Å; V349-H351 PolarHBondContact O-N 2.55Å; V349-L353 VanDerWaalsContact O-CB 3.3Å; V349-L353 WeakPolarHBondContact O-CB 3.47Å; V349-L353 PolarHBondContact O-N 3.46Å
350	L	96.5	Very high	93.8	Very high	20 Å²	20	20.9 Å²	20.9	11%	0.105	11%	0.107	C	C	.	.	H	α-helix	trans	-69.3	-38.1	-175.1	-64.8	175.1	0	0	0	112.2	T318 L321 L322 I325 V346 I347 L353 V354	T318-L350 HydrophobicContact CG2-CB 3.95Å; T318-L350 HydrophobicContact CG2-CD2 4.04Å; T318-L350 WeakPolarHBondContact CG2-O 3.33Å; L321-L350 HydrophobicContact CB-CD1 4.42Å; L321-L350 HydrophobicContact CD2-CD1 3.76Å; L321-L350 HydrophobicContact CD2-CD2 3.88Å; L321-L350 HydrophobicContact CD2-CG 4.5Å; L321-L350 HydrophobicContact CG-CD1 3.77Å; L322-L350 HydrophobicContact CD1-CB 4.14Å; L322-L350 HydrophobicContact CD2-CB 3.63Å; L322-L350 HydrophobicContact CD2-CD1 4.38Å; L322-L350 HydrophobicContact CG-CB 3.65Å; L322-L350 HydrophobicContact CG-CD1 4.33Å; I325-L350 HydrophobicContact CD1-CD1 3.57Å; V346-L350 HydrophobicContact CG1-CD1 3.99Å; V346-L350 HydrophobicContact CG1-CG 4.37Å; V346-L350 WeakPolarHBondContact O-CG 3.34Å; V346-L350 PolarHBondContact O-N 2.8Å; I347-L350 PolarHBondContact O-N 2.91Å; L350-L353 WeakPolarHBondContact O-CB 3.47Å; L350-L353 PolarHBondContact O-N 3.44Å; L350-V354 WeakPolarHBondContact O-CG2 3.31Å; L350-V354 PolarHBondContact O-N 2.9Å
351	H	93.4	Very high	93.8	Very high	9 Å²	9	20.9 Å²	20.9	4%	0.042	11%	0.107	C	C	.	.	H	α-helix	trans	-60.9	-52.6	178.8	-178	136.3	0	0	0	111	V263 Y291 L322 I347 V349 L353 V354 T355 Y436	V263-H351 WeakPolarHBondContact CB-CE1 3.38Å; V263-H351 WeakPolarHBondContact CG1-CE1 2.91Å; V263-H351 WeakPolarHBondContact CG1-NE2 3.47Å; V263-H351 WeakPolarHBondContact CG2-CE1 3.36Å; V263-H351 WeakPolarHBondContact CG2-NE2 3.46Å; Y291-H351 PolarHBondContact OH-CE1 2.7Å; Y291-H351 PolarHBondContact OH-ND1 3.32Å; Y291-H351 VanDerWaalsContact OH-ND1 3.15Å; Y291-H351 PolarHBondContact OH-NE2 2.69Å; L322-H351 HydrophobicContact CD2-CB 4.42Å; I347-H351 WeakPolarHBondContact O-CB 3.32Å; I347-H351 PolarHBondContact O-N 3.44Å; V349-H351 PolarHBondContact O-N 2.55Å; H351-L353 PolarHBondContact O-N 3.18Å; H351-V354 WeakPolarHBondContact O-CB 3.42Å; H351-V354 PolarHBondContact O-N 3.39Å; H351-V354 VanDerWaalsContact O-N 3.11Å; H351-T355 PolarHBondContact O-OG1 2.75Å; H351-Y436 PolarHBondContact ND1-OH 2.85Å
352	Q	93	Very high	93.6	Very high	18 Å²	18	18.9 Å²	18.9	8%	0.084	10%	0.099	C	C	.	.	H	α-helix	trans	-77.2	-13.9	-176.7	-159.8	62.2	23.3	0	0	112.6	F171 N295 S299 G348 V354 T355 P356	F171-Q352 VanDerWaalsContact CD1-NE2 3.29Å; N295-Q352 VanDerWaalsContact CA-CB 3.46Å; N295-Q352 HydrophobicContact CB-CB 3.73Å; N295-Q352 HydrophobicContact CB-CG 3.87Å; N295-Q352 VanDerWaalsContact O-CB 3.29Å; N295-Q352 WeakPolarHBondContact O-CB 3.48Å; N295-Q352 WeakPolarHBondContact O-CG 3.27Å; S299-Q352 WeakPolarHBondContact OG-CG 3.32Å; G348-Q352 WeakPolarHBondContact O-CB 3.2Å; G348-Q352 PolarHBondContact O-N 3.17Å; Q352-V354 VanDerWaalsContact C-N 3.31Å; Q352-T355 PolarHBondContact OE1-OG1 3.15Å; Q352-P356 WeakPolarHBondContact O-CD 3.4Å
353	L	94.9	Very high	93.2	Very high	6 Å²	6	14.9 Å²	14.9	3%	0.031	8%	0.075	C	C	.	.	H	α-helix	trans	-63.6	-36.2	165.8	172.8	61.8	0	0	0	112.1	G298 L301 A302 L305 T318 V349 L350 H351 I357	G298-L353 WeakPolarHBondContact O-CA 3.43Å; L301-L353 HydrophobicContact CB-CD1 4.18Å; A302-L353 HydrophobicContact CB-CD1 3.94Å; L305-L353 HydrophobicContact CD1-CD1 3.85Å; L305-L353 HydrophobicContact CD1-CD2 3.61Å; L305-L353 HydrophobicContact CD1-CG 4.41Å; T318-L353 HydrophobicContact CG2-CB 4.33Å; T318-L353 HydrophobicContact CG2-CD2 3.81Å; T318-L353 HydrophobicContact CG2-CG 4.18Å; V349-L353 VanDerWaalsContact O-CB 3.3Å; V349-L353 WeakPolarHBondContact O-CB 3.47Å; V349-L353 PolarHBondContact O-N 3.46Å; L350-L353 WeakPolarHBondContact O-CB 3.47Å; L350-L353 PolarHBondContact O-N 3.44Å; H351-L353 PolarHBondContact O-N 3.18Å; L353-I357 WeakPolarHBondContact O-CD1 3.29Å
354	V	94.2	Very high	92.9	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.006	7%	0.066	C	C	.	.	H	α-helix	trans	-72	-36.2	-179.2	177.4	0	0	0	0	111.7	F315 T318 N319 L322 L350 H351 Q352 I357 Q358	F315-V354 HydrophobicContact CD2-CG1 3.67Å; F315-V354 HydrophobicContact CE1-CG1 4.47Å; F315-V354 HydrophobicContact CE2-CB 4.5Å; F315-V354 HydrophobicContact CE2-CG1 3.21Å; F315-V354 HydrophobicContact CG-CG1 4.49Å; F315-V354 HydrophobicContact CZ-CG1 3.67Å; T318-V354 HydrophobicContact CG2-CG2 3.49Å; T318-V354 VanDerWaalsContact CG2-CG2 3.49Å; N319-V354 WeakPolarHBondContact ND2-CG1 3.39Å; L322-V354 HydrophobicContact CD1-CG2 4.06Å; L350-V354 WeakPolarHBondContact O-CG2 3.31Å; L350-V354 PolarHBondContact O-N 2.9Å; H351-V354 WeakPolarHBondContact O-CB 3.42Å; H351-V354 PolarHBondContact O-N 3.39Å; H351-V354 VanDerWaalsContact O-N 3.11Å; Q352-V354 VanDerWaalsContact C-N 3.31Å; V354-I357 PolarHBondContact O-N 3.45Å; V354-Q358 PolarHBondContact O-N 3.43Å
355	T	91.6	Very high	92.8	Very high	30 Å²	30	12.9 Å²	12.9	18%	0.184	7%	0.066	C	C	.	.	H	α-helix	trans	-60.5	-54.4	-171.2	-50.6	0	0	0	0	113.5	F171 H351 Q352 I357 Q358 W359	F171-T355 HydrophobicContact CD1-CG2 4.08Å; F171-T355 HydrophobicContact CD2-CG2 4.33Å; F171-T355 HydrophobicContact CE1-CG2 3.69Å; F171-T355 HydrophobicContact CE2-CG2 3.97Å; F171-T355 HydrophobicContact CG-CG2 4.41Å; F171-T355 HydrophobicContact CZ-CG2 3.66Å; H351-T355 PolarHBondContact O-OG1 2.75Å; Q352-T355 PolarHBondContact OE1-OG1 3.15Å; T355-I357 PolarHBondContact O-N 2.83Å; T355-Q358 WeakPolarHBondContact O-CB 3.42Å; T355-Q358 PolarHBondContact O-N 3.01Å; T355-Q358 VanDerWaalsContact O-N 3.14Å; T355-W359 VanDerWaalsContact O-CD1 3.26Å; T355-W359 PolarHBondContact O-N 3.26Å; T355-W359 VanDerWaalsContact O-N 3.15Å
356	P	92.1	Very high	92.3	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-56.9	-36.7	177.1	-22	30.3	0	0	0	112.9	Q167 F171 A302 Q352 W359 V360	Q167-P356 HydrophobicContact CB-CB 4.08Å; F171-P356 HydrophobicContact CB-CG 4.17Å; F171-P356 HydrophobicContact CD2-CB 4.06Å; F171-P356 HydrophobicContact CD2-CG 3.79Å; F171-P356 HydrophobicContact CG-CG 4.28Å; A302-P356 HydrophobicContact CB-CB 3.9Å; A302-P356 HydrophobicContact CB-CG 3.95Å; Q352-P356 WeakPolarHBondContact O-CD 3.4Å; P356-W359 PolarHBondContact O-N 3.38Å; P356-V360 PolarHBondContact O-N 2.84Å
357	I	93.7	Very high	91.7	Very high	1 Å²	1	7.4 Å²	7.4	1%	0.005	4%	0.039	C	C	.	.	H	α-helix	trans	-66.7	-45	179.6	-60.4	174.4	0	0	0	110.3	A302 T306 K311 I314 F315 L353 V354 T355 W359 V360 M361	A302-I357 HydrophobicContact CB-CG1 4.35Å; T306-I357 HydrophobicContact CG2-CD1 3.83Å; T306-I357 HydrophobicContact CG2-CG1 4Å; K311-I357 HydrophobicContact CB-CG2 3.97Å; I314-I357 HydrophobicContact CB-CD1 4.2Å; I314-I357 HydrophobicContact CG2-CD1 3.64Å; F315-I357 HydrophobicContact CB-CG2 4.03Å; F315-I357 HydrophobicContact CD2-CB 4.13Å; F315-I357 HydrophobicContact CD2-CG2 3.78Å; F315-I357 HydrophobicContact CG-CG2 4.39Å; L353-I357 WeakPolarHBondContact O-CD1 3.29Å; V354-I357 PolarHBondContact O-N 3.45Å; T355-I357 PolarHBondContact O-N 2.83Å; I357-W359 VanDerWaalsContact C-N 3.27Å; I357-W359 PolarHBondContact O-N 2.9Å; I357-V360 PolarHBondContact O-N 3.35Å; I357-V360 VanDerWaalsContact O-N 3.13Å; I357-M361 HydrophobicContact CG2-CG 4.42Å; I357-M361 HydrophobicContact CG2-SD 4.16Å; I357-M361 WeakPolarHBondContact O-CG 3.24Å; I357-M361 PolarHBondContact O-N 3.49Å
358	Q	91.9	Very high	91.2	Very high	18 Å²	18	9.2 Å²	9.2	8%	0.084	5%	0.046	C	C	.	.	H	α-helix	trans	-58.4	-41.4	177.6	-157.7	175.2	-73.6	0	0	112.2	T256 N259 F315 V354 T355 V360 M361 M362	T256-Q358 VanDerWaalsContact CA-NE2 3.34Å; T256-Q358 PolarHBondContact OG1-NE2 3.26Å; N259-Q358 PolarHBondContact ND2-OE1 2.83Å; N259-Q358 VanDerWaalsContact ND2-OE1 3.14Å; F315-Q358 HydrophobicContact CE2-CB 3.84Å; F315-Q358 HydrophobicContact CE2-CG 4.04Å; F315-Q358 HydrophobicContact CZ-CG 4.33Å; V354-Q358 PolarHBondContact O-N 3.43Å; T355-Q358 WeakPolarHBondContact O-CB 3.42Å; T355-Q358 PolarHBondContact O-N 3.01Å; T355-Q358 VanDerWaalsContact O-N 3.14Å; Q358-V360 VanDerWaalsContact C-N 3.3Å; Q358-V360 PolarHBondContact O-N 3.32Å; Q358-M361 WeakPolarHBondContact O-CB 3.31Å; Q358-M361 PolarHBondContact O-N 3.21Å; Q358-M362 PolarHBondContact O-N 2.9Å; Q358-M362 VanDerWaalsContact O-N 3.1Å
359	W	89.6	Confident	90.8	Very high	19 Å²	19	9.5 Å²	9.5	7%	0.072	5%	0.048	C	C	.	.	H	α-helix	trans	-66.8	-31.2	178.6	-84.2	84.4	0	0	0	112.9	C150 Q167 R170 F171 T355 P356 I357 S363 F382 L386	C150-W359 HydrophobicContact CB-CH2 4Å; C150-W359 HydrophobicContact CB-CZ3 3.81Å; C150-W359 VanDerWaalsContact SG-CH2 3.54Å; Q167-W359 HydrophobicContact CG-CB 4.14Å; R170-W359 VanDerWaalsContact NH1-CE3 3.28Å; F171-W359 HydrophobicContact CE2-CB 4.22Å; F171-W359 AromaticContact CE2-CD1 3.49Å; F171-W359 VanDerWaalsContact CE2-CD1 3.49Å; F171-W359 HydrophobicContact CE2-CD2 4.4Å; F171-W359 AromaticContact CE2-CG 3.77Å; F171-W359 HydrophobicContact CE2-CG 3.77Å; F171-W359 AromaticContact CE2-NE1 3.96Å; F171-W359 AromaticContact CZ-CD1 3.37Å; F171-W359 HydrophobicContact CZ-CD2 4.17Å; F171-W359 AromaticContact CZ-CE2 3.81Å; F171-W359 AromaticContact CZ-CG 3.89Å; F171-W359 HydrophobicContact CZ-CG 3.89Å; F171-W359 AromaticContact CZ-NE1 3.32Å; F171-W359 VanDerWaalsContact CZ-NE1 3.32Å; T355-W359 VanDerWaalsContact O-CD1 3.26Å; T355-W359 PolarHBondContact O-N 3.26Å; T355-W359 VanDerWaalsContact O-N 3.15Å; P356-W359 PolarHBondContact O-N 3.38Å; I357-W359 VanDerWaalsContact C-N 3.27Å; I357-W359 PolarHBondContact O-N 2.9Å; W359-S363 PolarHBondContact O-N 2.87Å; W359-F382 HydrophobicContact CE3-CE1 4.02Å; W359-F382 HydrophobicContact CZ3-CD1 4.12Å; W359-F382 AromaticContact CZ3-CE1 3.93Å; W359-F382 HydrophobicContact CZ3-CE1 3.93Å; W359-L386 HydrophobicContact CH2-CD1 4.37Å; W359-L386 HydrophobicContact CH2-CD2 3.87Å; W359-L386 HydrophobicContact CH2-CG 4.31Å; W359-L386 HydrophobicContact CZ2-CD2 4.19Å
360	V	90	Very high	90	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-71.9	-43	170	174.8	0	0	0	0	111.5	R163 I164 Q167 K311 P356 I357 Q358 M362 S363 D364	R163-V360 HydrophobicContact CB-CG1 4.37Å; R163-V360 HydrophobicContact CB-CG2 4.17Å; I164-V360 HydrophobicContact CB-CG2 4.28Å; I164-V360 HydrophobicContact CG1-CB 4.18Å; I164-V360 HydrophobicContact CG1-CG1 3.89Å; I164-V360 HydrophobicContact CG1-CG2 3.75Å; Q167-V360 HydrophobicContact CB-CG2 4.2Å; Q167-V360 HydrophobicContact CG-CG2 3.74Å; K311-V360 HydrophobicContact CD-CG1 4.16Å; P356-V360 PolarHBondContact O-N 2.84Å; I357-V360 PolarHBondContact O-N 3.35Å; I357-V360 VanDerWaalsContact O-N 3.13Å; Q358-V360 VanDerWaalsContact C-N 3.3Å; Q358-V360 PolarHBondContact O-N 3.32Å; V360-M362 PolarHBondContact O-N 3.44Å; V360-M362 VanDerWaalsContact O-N 3.12Å; V360-S363 WeakPolarHBondContact O-CA 3.26Å; V360-S363 WeakPolarHBondContact O-CB 3.49Å; V360-S363 PolarHBondContact O-N 2.79Å; V360-D364 VanDerWaalsContact O-CG 3.22Å; V360-D364 PolarHBondContact O-N 3.35Å
361	M	92.1	Very high	89.1	Confident	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-54.7	-34.1	177.5	-70.4	170.9	74	0	0	112	V252 L255 F315 I357 Q358 D364 T365 Y447	V252-M361 HydrophobicContact CG2-CB 4.2Å; L255-M361 HydrophobicContact CD1-CE 3.73Å; F315-M361 HydrophobicContact CB-SD 4.44Å; F315-M361 HydrophobicContact CD1-SD 4.47Å; F315-M361 HydrophobicContact CD2-SD 3.68Å; F315-M361 HydrophobicContact CE2-SD 3.94Å; F315-M361 HydrophobicContact CG-SD 3.96Å; F315-M361 HydrophobicContact CZ-SD 4.46Å; I357-M361 HydrophobicContact CG2-CG 4.42Å; I357-M361 HydrophobicContact CG2-SD 4.16Å; I357-M361 WeakPolarHBondContact O-CG 3.24Å; I357-M361 PolarHBondContact O-N 3.49Å; Q358-M361 WeakPolarHBondContact O-CB 3.31Å; Q358-M361 PolarHBondContact O-N 3.21Å; M361-D364 WeakPolarHBondContact CA-OD2 3.34Å; M361-D364 WeakPolarHBondContact O-CB 3.29Å; M361-D364 PolarHBondContact O-N 3.34Å; M361-T365 WeakPolarHBondContact O-CG2 3.45Å; M361-T365 PolarHBondContact O-N 3.22Å; M361-Y447 WeakPolarHBondContact CA-OH 3.28Å; M361-Y447 HydrophobicContact CB-CE2 4.35Å; M361-Y447 WeakPolarHBondContact CB-OH 3.28Å; M361-Y447 HydrophobicContact CE-CD1 3.46Å; M361-Y447 VanDerWaalsContact CE-CD1 3.46Å; M361-Y447 HydrophobicContact CE-CD2 3.76Å; M361-Y447 HydrophobicContact CE-CE1 3.46Å; M361-Y447 VanDerWaalsContact CE-CE1 3.46Å; M361-Y447 HydrophobicContact CE-CE2 3.78Å; M361-Y447 HydrophobicContact CE-CG 3.58Å; M361-Y447 HydrophobicContact CG-CE1 4.1Å; M361-Y447 PolarHBondContact O-OH 3.32Å; M361-Y447 VanDerWaalsContact O-OH 3.13Å
362	M	88.4	Confident	88.1	Confident	8 Å²	8	17.3 Å²	17.3	4%	0.039	9%	0.086	C	C	.	.	H	α-helix	trans	-66.7	-43.1	174	-171.3	173	159	0	0	112.9	V252 Q358 V360 D364 T365 F382 T385	V252-M362 HydrophobicContact CG1-CB 4.14Å; Q358-M362 PolarHBondContact O-N 2.9Å; Q358-M362 VanDerWaalsContact O-N 3.1Å; V360-M362 PolarHBondContact O-N 3.44Å; V360-M362 VanDerWaalsContact O-N 3.12Å; M362-D364 VanDerWaalsContact C-N 3.29Å; M362-D364 PolarHBondContact O-N 2.8Å; M362-T365 PolarHBondContact O-N 3.5Å; M362-T365 PolarHBondContact O-OG1 3.33Å; M362-F382 HydrophobicContact CE-CB 3.88Å; M362-F382 HydrophobicContact CE-CD1 3.44Å; M362-F382 VanDerWaalsContact CE-CD1 3.44Å; M362-F382 HydrophobicContact CE-CD2 4.25Å; M362-F382 HydrophobicContact CE-CE1 3.97Å; M362-F382 HydrophobicContact CE-CG 3.61Å; M362-F382 WeakPolarHBondContact CE-O 3.48Å; M362-F382 HydrophobicContact SD-CD1 4.44Å; M362-F382 HydrophobicContact SD-CE1 4.43Å; M362-T385 HydrophobicContact CE-CG2 3.99Å; M362-T385 WeakPolarHBondContact CE-OG1 3.4Å; M362-T385 HydrophobicContact CG-CG2 4.29Å; M362-T385 VanDerWaalsContact SD-CB 3.52Å; M362-T385 HydrophobicContact SD-CG2 3.54Å; M362-T385 VanDerWaalsContact SD-CG2 3.54Å
363	S	86.6	Confident	87	Confident	1 Å²	1	19.1 Å²	19.1	1%	0.007	10%	0.096	C	C	.	.	H	α-helix	trans	-61	-38.1	171.5	-60.7	0	0	0	0	112.4	W359 V360 T365 V366 D367 F382	W359-S363 PolarHBondContact O-N 2.87Å; V360-S363 WeakPolarHBondContact O-CA 3.26Å; V360-S363 WeakPolarHBondContact O-CB 3.49Å; V360-S363 PolarHBondContact O-N 2.79Å; S363-T365 PolarHBondContact O-N 3.03Å; S363-V366 WeakPolarHBondContact O-CB 3.48Å; S363-V366 PolarHBondContact O-N 3.27Å; S363-D367 PolarHBondContact O-N 3.3Å; S363-F382 WeakPolarHBondContact OG-CZ 3.35Å
364	D	89.7	Confident	85.6	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.9	-32.9	179.5	-53.9	-36.8	0	0	0	111.8	K311 V360 M361 M362 V366 D367 Y368 Y447 L449 L454	K311-D364 WeakPolarHBondContact CE-OD2 3.33Å; K311-D364 IonicContact NZ-OD1 3.06Å; K311-D364 PolarHBondContact NZ-OD1 3.16Å; K311-D364 IonicContact NZ-OD2 3.9Å; K311-D364 PolarHBondContact NZ-OD2 3.49Å; V360-D364 VanDerWaalsContact O-CG 3.22Å; V360-D364 PolarHBondContact O-N 3.35Å; M361-D364 WeakPolarHBondContact CA-OD2 3.34Å; M361-D364 WeakPolarHBondContact O-CB 3.29Å; M361-D364 PolarHBondContact O-N 3.34Å; M362-D364 VanDerWaalsContact C-N 3.29Å; M362-D364 PolarHBondContact O-N 2.8Å; D364-V366 PolarHBondContact O-N 2.93Å; D364-D367 PolarHBondContact O-N 2.91Å; D364-Y368 WeakPolarHBondContact O-CB 3.44Å; D364-Y368 PolarHBondContact O-N 3.31Å; D364-Y447 PolarHBondContact OD2-OH 2.85Å; D364-L449 HydrophobicContact CB-CD1 3.97Å; D364-L454 HydrophobicContact CB-CD1 4Å; D364-L454 HydrophobicContact CB-CD2 4.06Å; D364-L454 WeakPolarHBondContact OD1-CD2 3.4Å
365	T	90.7	Very high	84.5	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-67.8	-24.3	176.3	66.1	0	0	0	0	113	N246 Q248 W249 V252 M361 M362 S363 G369 Y447 L449	N246-T365 PolarHBondContact ND2-O 3.47Å; Q248-T365 HydrophobicContact CB-CG2 3.99Å; Q248-T365 WeakPolarHBondContact O-CG2 3.38Å; W249-T365 HydrophobicContact CB-CG2 4.43Å; V252-T365 HydrophobicContact CB-CG2 4.36Å; V252-T365 HydrophobicContact CG2-CG2 3.7Å; M361-T365 WeakPolarHBondContact O-CG2 3.45Å; M361-T365 PolarHBondContact O-N 3.22Å; M362-T365 PolarHBondContact O-N 3.5Å; M362-T365 PolarHBondContact O-OG1 3.33Å; S363-T365 PolarHBondContact O-N 3.03Å; T365-G369 PolarHBondContact O-N 2.93Å; T365-Y447 HydrophobicContact CG2-CE2 4.47Å; T365-L449 HydrophobicContact CG2-CD1 4.3Å
366	V	86.4	Confident	83.7	Confident	4 Å²	4	23 Å²	23	2%	0.024	13%	0.126	C	C	.	.	H	α-helix	trans	-71.4	-45.7	173.7	179.5	0	0	0	0	110.1	S363 D364 Y368 G369 E370 R376 F382	S363-V366 WeakPolarHBondContact O-CB 3.48Å; S363-V366 PolarHBondContact O-N 3.27Å; D364-V366 PolarHBondContact O-N 2.93Å; V366-Y368 VanDerWaalsContact C-N 3.34Å; V366-G369 PolarHBondContact O-N 3.02Å; V366-E370 PolarHBondContact O-N 3.32Å; V366-R376 HydrophobicContact CG1-CG 3.88Å; V366-F382 HydrophobicContact CG2-CD2 4.46Å; V366-F382 HydrophobicContact CG2-CE2 4.36Å
367	D	83.8	Confident	83.1	Confident	2 Å²	2	23.5 Å²	23.5	1%	0.011	13%	0.128	C	C	.	.	H	α-helix	trans	-63.7	-42.6	177	-54.9	-38.2	0	0	0	110.6	R163 S363 D364 G369 E370 W371 R376 L454	R163-D367 IonicContact CZ-OD2 2.76Å; R163-D367 IonicContact NH1-OD1 3.61Å; R163-D367 IonicContact NH1-OD2 3.39Å; R163-D367 PolarHBondContact NH1-OD2 3.28Å; R163-D367 IonicContact NH2-OD1 3.09Å; R163-D367 PolarHBondContact NH2-OD1 2.9Å; R163-D367 IonicContact NH2-OD2 3.62Å; R163-D367 PolarHBondContact NH2-OD2 2.83Å; S363-D367 PolarHBondContact O-N 3.3Å; D364-D367 PolarHBondContact O-N 2.91Å; D367-G369 VanDerWaalsContact C-N 3.34Å; D367-G369 PolarHBondContact O-N 3.27Å; D367-E370 PolarHBondContact O-N 3.06Å; D367-W371 PolarHBondContact O-N 3.11Å; D367-R376 IonicContact OD1-CZ 2.75Å; D367-R376 IonicContact OD1-NH1 2.73Å; D367-R376 PolarHBondContact OD1-NH1 3.17Å; D367-R376 IonicContact OD1-NH2 3.88Å; D367-R376 PolarHBondContact OD1-NH2 2.92Å; D367-L454 HydrophobicContact CB-CD1 4.34Å
368	Y	86.2	Confident	82.3	Confident	38 Å²	38	23.6 Å²	23.6	15%	0.149	13%	0.129	C	C	.	.	H	α-helix	trans	-64	-38.5	175	178.4	-102.4	0	0	0	112.9	N246 D247 Q248 D364 V366 W371 C372 L449 V457	N246-Y368 WeakPolarHBondContact OD1-CD1 3.26Å; D247-Y368 WeakPolarHBondContact OD1-CE1 3.46Å; D247-Y368 PolarHBondContact OD1-OH 3.21Å; Q248-Y368 HydrophobicContact CB-CD1 3.96Å; Q248-Y368 HydrophobicContact CB-CE1 4.15Å; Q248-Y368 HydrophobicContact CG-CD1 3.79Å; Q248-Y368 HydrophobicContact CG-CE1 3.61Å; Q248-Y368 HydrophobicContact CG-CG 4.32Å; D364-Y368 WeakPolarHBondContact O-CB 3.44Å; D364-Y368 PolarHBondContact O-N 3.31Å; V366-Y368 VanDerWaalsContact C-N 3.34Å; Y368-W371 AromaticContact CD2-CE3 3.91Å; Y368-W371 HydrophobicContact CD2-CE3 3.91Å; Y368-W371 HydrophobicContact CD2-CZ3 4.32Å; Y368-W371 AromaticContact CE2-CE3 3.81Å; Y368-W371 HydrophobicContact CE2-CE3 3.81Å; Y368-W371 AromaticContact CE2-CZ3 3.77Å; Y368-W371 HydrophobicContact CE2-CZ3 3.77Å; Y368-W371 PolarHBondContact O-N 3.01Å; Y368-C372 VanDerWaalsContact CE1-SG 3.58Å; Y368-C372 PolarHBondContact O-N 3.1Å; Y368-C372 PolarHBondContact O-SG 2.75Å; Y368-L449 HydrophobicContact CD2-CD2 3.61Å; Y368-L449 HydrophobicContact CE2-CD2 4.28Å; Y368-L449 HydrophobicContact CG-CD1 4.25Å; Y368-L449 HydrophobicContact CG-CD2 3.91Å; Y368-V457 HydrophobicContact CD2-CG2 4.4Å
369	G	84.2	Confident	81.5	Confident	5 Å²	5	22.7 Å²	22.7	5%	0.052	13%	0.125	C	C	.	.	H	α-helix	trans	-58.8	-52	173.4	0	0	0	0	0	111.1	T365 V366 D367 W371 C372 N373	T365-G369 PolarHBondContact O-N 2.93Å; V366-G369 PolarHBondContact O-N 3.02Å; D367-G369 VanDerWaalsContact C-N 3.34Å; D367-G369 PolarHBondContact O-N 3.27Å; G369-W371 PolarHBondContact O-N 2.9Å; G369-C372 PolarHBondContact O-N 2.76Å; G369-N373 PolarHBondContact O-N 3.34Å; G369-N373 PolarHBondContact O-ND2 3Å; G369-N373 PolarHBondContact O-OD1 2.87Å
370	E	81.1	Confident	81	Confident	35 Å²	35	22 Å²	22	16%	0.164	12%	0.122	C	C	.	.	H	α-helix	trans	-56.1	-40.1	177.3	-175.2	178.3	-167.7	0	0	112.1	V366 D367 G374 K375 R376 L461	V366-E370 PolarHBondContact O-N 3.32Å; D367-E370 PolarHBondContact O-N 3.06Å; E370-G374 WeakPolarHBondContact O-CA 3.32Å; E370-G374 PolarHBondContact O-N 2.82Å; E370-K375 WeakPolarHBondContact CA-O 3.47Å; E370-R376 HydrophobicContact CB-CB 4.27Å; E370-R376 HydrophobicContact CG-CB 4.08Å; E370-R376 VanDerWaalsContact OE2-CD 3.29Å; E370-R376 WeakPolarHBondContact OE2-CD 3.47Å; E370-R376 WeakPolarHBondContact OE2-CG 3.33Å; E370-R376 IonicContact OE2-CZ 3.23Å; E370-R376 IonicContact OE2-NE 3.5Å; E370-R376 IonicContact OE2-NH1 2.69Å; E370-R376 PolarHBondContact OE2-NH1 2.91Å; E370-L461 HydrophobicContact CB-CD1 4.36Å; E370-L461 HydrophobicContact CB-CD2 4.4Å; E370-L461 HydrophobicContact CG-CD1 4.36Å; E370-L461 HydrophobicContact CG-CD2 3.81Å
371	W	77.1	Confident	80.6	Confident	106 Å²	106	22.2 Å²	22.2	40%	0.402	12%	0.124	S	C	.	.	H	α-helix	trans	-66.4	-39.1	176	177.7	76.2	0	0	0	113.4	D367 Y368 G369 V457 Q460 L461	D367-W371 PolarHBondContact O-N 3.11Å; Y368-W371 AromaticContact CD2-CE3 3.91Å; Y368-W371 HydrophobicContact CD2-CE3 3.91Å; Y368-W371 HydrophobicContact CD2-CZ3 4.32Å; Y368-W371 AromaticContact CE2-CE3 3.81Å; Y368-W371 HydrophobicContact CE2-CE3 3.81Å; Y368-W371 AromaticContact CE2-CZ3 3.77Å; Y368-W371 HydrophobicContact CE2-CZ3 3.77Å; Y368-W371 PolarHBondContact O-N 3.01Å; G369-W371 PolarHBondContact O-N 2.9Å; W371-V457 HydrophobicContact CB-CG1 3.6Å; W371-V457 HydrophobicContact CD2-CG1 4.44Å; W371-V457 HydrophobicContact CD2-CG2 4.2Å; W371-V457 HydrophobicContact CE3-CG2 4.35Å; W371-V457 HydrophobicContact CG-CG1 3.83Å; W371-V457 HydrophobicContact CG-CG2 4.4Å; W371-Q460 VanDerWaalsContact CE2-OE1 3.24Å; W371-L461 HydrophobicContact CB-CD1 4.16Å; W371-L461 HydrophobicContact CB-CD2 4.16Å; W371-L461 HydrophobicContact CB-CG 4.07Å
372	C	72.7	Confident	80.1	Confident	72 Å²	72	22.2 Å²	22.2	49%	0.486	12%	0.124	S	C	.	.	H	α-helix	trans	-75.6	-36.3	-179.6	-67.3	0	0	0	0	113.3	Y368 G369	Y368-C372 VanDerWaalsContact CE1-SG 3.58Å; Y368-C372 PolarHBondContact O-N 3.1Å; Y368-C372 PolarHBondContact O-SG 2.75Å; G369-C372 PolarHBondContact O-N 2.76Å
373	N	70	Confident	79.7	Confident	55 Å²	55	21.9 Å²	21.9	29%	0.294	12%	0.122	S	C	.	.	H	α-helix	trans	-126.2	0.6	-167.3	66.1	25.8	0	0	0	114.5	G369 K375	G369-N373 PolarHBondContact O-N 3.34Å; G369-N373 PolarHBondContact O-ND2 3Å; G369-N373 PolarHBondContact O-OD1 2.87Å; N373-K375 PolarHBondContact O-N 3.17Å; N373-K375 WeakPolarHBondContact OD1-CA 3.46Å; N373-K375 WeakPolarHBondContact OD1-CB 3.48Å; N373-K375 PolarHBondContact OD1-N 2.95Å; N373-K375 PolarHBondContact OD1-O 2.79Å; N373-K375 VanDerWaalsContact OD1-O 3.13Å
374	G	64.6	Low	79.4	Confident	57 Å²	57	22.3 Å²	22.3	59%	0.588	13%	0.127	S	C	*	.	S	Bend	trans	70.3	8.7	-178.2	0	0	0	0	0	114.7	E370	E370-G374 WeakPolarHBondContact O-CA 3.32Å; E370-G374 PolarHBondContact O-N 2.82Å
375	K	71.6	Confident	79	Confident	47 Å²	47	22.5 Å²	22.5	20%	0.204	13%	0.128	C	C	.	.			trans	-121.5	121	-175.2	-59.3	178.6	-173.4	175.6	0	111.8	D242 E370 N373 L377	D242-K375 WeakPolarHBondContact OD2-CD 3.39Å; D242-K375 WeakPolarHBondContact OD2-CE 3.14Å; D242-K375 IonicContact OD2-NZ 3.68Å; D242-K375 PolarHBondContact OD2-NZ 2.83Å; E370-K375 WeakPolarHBondContact CA-O 3.47Å; N373-K375 PolarHBondContact O-N 3.17Å; N373-K375 WeakPolarHBondContact OD1-CA 3.46Å; N373-K375 WeakPolarHBondContact OD1-CB 3.48Å; N373-K375 PolarHBondContact OD1-N 2.95Å; N373-K375 PolarHBondContact OD1-O 2.79Å; N373-K375 VanDerWaalsContact OD1-O 3.13Å; K375-L377 HydrophobicContact CB-CG 4.17Å; K375-L377 PolarHBondContact O-N 3.3Å
376	R	76	Confident	78.6	Confident	16 Å²	16	23.1 Å²	23.1	6%	0.06	13%	0.131	C	C	.	.			trans	-88.7	88.3	173.9	-163.6	176.5	-177.1	80.1	7.5	111.8	A229 V366 D367 E370 T378	A229-R376 HydrophobicContact CB-CB 3.91Å; A229-R376 HydrophobicContact CB-CG 4.21Å; V366-R376 HydrophobicContact CG1-CG 3.88Å; D367-R376 IonicContact OD1-CZ 2.75Å; D367-R376 IonicContact OD1-NH1 2.73Å; D367-R376 PolarHBondContact OD1-NH1 3.17Å; D367-R376 IonicContact OD1-NH2 3.88Å; D367-R376 PolarHBondContact OD1-NH2 2.92Å; E370-R376 HydrophobicContact CB-CB 4.27Å; E370-R376 HydrophobicContact CG-CB 4.08Å; E370-R376 VanDerWaalsContact OE2-CD 3.29Å; E370-R376 WeakPolarHBondContact OE2-CD 3.47Å; E370-R376 WeakPolarHBondContact OE2-CG 3.33Å; E370-R376 IonicContact OE2-CZ 3.23Å; E370-R376 IonicContact OE2-NE 3.5Å; E370-R376 IonicContact OE2-NH1 2.69Å; E370-R376 PolarHBondContact OE2-NH1 2.91Å; R376-T378 PolarHBondContact O-N 3.34Å
377	L	77.8	Confident	78.3	Confident	10 Å²	10	26.5 Å²	26.5	5%	0.052	15%	0.146	C	C	.	.			trans	-93.6	61.5	-176.5	-64.6	176.4	0	0	0	113	T232 D239 D242 I243 K375 I380 S381	T232-L377 HydrophobicContact CG2-CD2 4.23Å; D239-L377 HydrophobicContact CB-CD1 4.05Å; D239-L377 HydrophobicContact CB-CD2 4.14Å; D242-L377 HydrophobicContact CB-CD1 4.27Å; I243-L377 HydrophobicContact CD1-CD1 4.36Å; I243-L377 HydrophobicContact CG1-CB 4.47Å; I243-L377 HydrophobicContact CG1-CD1 3.98Å; K375-L377 HydrophobicContact CB-CG 4.17Å; K375-L377 PolarHBondContact O-N 3.3Å; L377-I380 HydrophobicContact CB-CG2 3.74Å; L377-I380 HydrophobicContact CD2-CG2 4.42Å; L377-S381 WeakPolarHBondContact O-CB 3.47Å; L377-S381 PolarHBondContact O-N 2.72Å; L377-S381 VanDerWaalsContact O-N 3.14Å; L377-S381 PolarHBondContact O-OG 3.45Å
378	T	77.2	Confident	78.3	Confident	2 Å²	2	27.3 Å²	27.3	1%	0.012	15%	0.151	C	C	.	.	H	α-helix	trans	-64.6	-57.8	-170.5	-50.2	0	0	0	0	113.7	F98 V155 R376 S381 F382	F98-T378 HydrophobicContact CZ-CG2 4.43Å; V155-T378 HydrophobicContact CG1-CG2 4.41Å; R376-T378 PolarHBondContact O-N 3.34Å; T378-S381 PolarHBondContact O-N 2.69Å; T378-F382 HydrophobicContact CG2-CD2 4.07Å; T378-F382 HydrophobicContact CG2-CE2 4.26Å; T378-F382 WeakPolarHBondContact O-CB 3.34Å; T378-F382 WeakPolarHBondContact O-CD2 3.17Å; T378-F382 PolarHBondContact O-N 2.89Å
379	G	76.3	Confident	78.2	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.2	-46.1	-172.5	0	0	0	0	0	112.8	D89 F382 A383	D89-G379 WeakPolarHBondContact OD1-CA 3.48Å; D89-G379 PolarHBondContact OD1-N 3.16Å; D89-G379 WeakPolarHBondContact OD2-CA 3.39Å; D89-G379 PolarHBondContact OD2-N 3.4Å; G379-F382 PolarHBondContact O-N 3.5Å; G379-A383 WeakPolarHBondContact O-CB 3.3Å; G379-A383 PolarHBondContact O-N 3.18Å
380	I	77.9	Confident	77.8	Confident	3 Å²	3	28.4 Å²	28.4	2%	0.015	16%	0.156	C	C	.	.	H	α-helix	trans	-68.8	-37.1	177	-172.5	177.1	0	0	0	113	L86 D89 L240 I243 L377 F382 A383 G384	L86-I380 HydrophobicContact CD1-CD1 3.89Å; L86-I380 HydrophobicContact CD2-CB 4.36Å; L86-I380 HydrophobicContact CD2-CD1 3.8Å; L86-I380 HydrophobicContact CG-CB 4.16Å; L86-I380 HydrophobicContact CG-CD1 3.71Å; L86-I380 HydrophobicContact CG-CG1 4.14Å; D89-I380 PolarHBondContact OD2-N 2.8Å; L240-I380 HydrophobicContact CD2-CD1 3.68Å; L240-I380 HydrophobicContact CD2-CG1 4.47Å; L240-I380 HydrophobicContact CG-CD1 3.95Å; I243-I380 HydrophobicContact CD1-CB 3.92Å; I243-I380 HydrophobicContact CD1-CD1 3.66Å; I243-I380 HydrophobicContact CD1-CG1 3.54Å; I243-I380 HydrophobicContact CD1-CG2 3.35Å; L377-I380 HydrophobicContact CB-CG2 3.74Å; L377-I380 HydrophobicContact CD2-CG2 4.42Å; I380-F382 PolarHBondContact O-N 3.32Å; I380-A383 PolarHBondContact O-N 3.46Å; I380-G384 PolarHBondContact O-N 2.68Å
381	S	81.1	Confident	77.6	Confident	6 Å²	6	29.8 Å²	29.8	4%	0.042	16%	0.164	C	C	.	.	H	α-helix	trans	-61.5	-40.2	173.2	-63.9	0	0	0	0	110.3	W249 L377 T378 G384 T385	W249-S381 PolarHBondContact NE1-O 2.92Å; L377-S381 WeakPolarHBondContact O-CB 3.47Å; L377-S381 PolarHBondContact O-N 2.72Å; L377-S381 VanDerWaalsContact O-N 3.14Å; L377-S381 PolarHBondContact O-OG 3.45Å; T378-S381 PolarHBondContact O-N 2.69Å; S381-G384 PolarHBondContact O-N 3.23Å; S381-T385 PolarHBondContact O-N 2.82Å; S381-T385 PolarHBondContact O-OG1 3.23Å
382	F	82.6	Confident	77.6	Confident	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-65.9	-47.5	178.1	-95.4	-101.4	0	0	0	113.1	C150 A151 W359 M362 S363 V366 T378 G379 I380 G384 T385 L386	C150-F382 HydrophobicContact CB-CD1 4.23Å; C150-F382 WeakPolarHBondContact O-CD1 3.32Å; C150-F382 WeakPolarHBondContact O-CE1 3.31Å; A151-F382 HydrophobicContact CB-CB 4.13Å; A151-F382 HydrophobicContact CB-CG 4.21Å; W359-F382 HydrophobicContact CE3-CE1 4.02Å; W359-F382 HydrophobicContact CZ3-CD1 4.12Å; W359-F382 AromaticContact CZ3-CE1 3.93Å; W359-F382 HydrophobicContact CZ3-CE1 3.93Å; M362-F382 HydrophobicContact CE-CB 3.88Å; M362-F382 HydrophobicContact CE-CD1 3.44Å; M362-F382 VanDerWaalsContact CE-CD1 3.44Å; M362-F382 HydrophobicContact CE-CD2 4.25Å; M362-F382 HydrophobicContact CE-CE1 3.97Å; M362-F382 HydrophobicContact CE-CG 3.61Å; M362-F382 WeakPolarHBondContact CE-O 3.48Å; M362-F382 HydrophobicContact SD-CD1 4.44Å; M362-F382 HydrophobicContact SD-CE1 4.43Å; S363-F382 WeakPolarHBondContact OG-CZ 3.35Å; V366-F382 HydrophobicContact CG2-CD2 4.46Å; V366-F382 HydrophobicContact CG2-CE2 4.36Å; T378-F382 HydrophobicContact CG2-CD2 4.07Å; T378-F382 HydrophobicContact CG2-CE2 4.26Å; T378-F382 WeakPolarHBondContact O-CB 3.34Å; T378-F382 WeakPolarHBondContact O-CD2 3.17Å; T378-F382 PolarHBondContact O-N 2.89Å; G379-F382 PolarHBondContact O-N 3.5Å; I380-F382 PolarHBondContact O-N 3.32Å; F382-G384 VanDerWaalsContact C-N 3.32Å; F382-G384 PolarHBondContact O-N 3.19Å; F382-T385 PolarHBondContact O-N 2.92Å; F382-L386 PolarHBondContact O-N 2.77Å; F382-L386 VanDerWaalsContact O-N 3.07Å
383	A	79.8	Confident	77.8	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-61.6	-40.2	176.6	0	0	0	0	0	112.6	D81 I147 G379 I380 T385 L386 F387	D81-A383 HydrophobicContact CB-CB 4.49Å; D81-A383 VanDerWaalsContact O-CB 3.23Å; D81-A383 WeakPolarHBondContact O-CB 3.31Å; I147-A383 HydrophobicContact CD1-CB 4.45Å; I147-A383 HydrophobicContact CG2-CB 4.06Å; G379-A383 WeakPolarHBondContact O-CB 3.3Å; G379-A383 PolarHBondContact O-N 3.18Å; I380-A383 PolarHBondContact O-N 3.46Å; A383-T385 PolarHBondContact O-N 3.33Å; A383-L386 PolarHBondContact O-N 3.24Å; A383-F387 PolarHBondContact O-N 3.39Å
384	G	80.9	Confident	78	Confident	11 Å²	11	23.7 Å²	23.7	11%	0.113	14%	0.143	C	C	.	.	H	α-helix	trans	-62.9	-40.5	178.4	0	0	0	0	0	112.8	I380 S381 F382 F387 V388	I380-G384 PolarHBondContact O-N 2.68Å; S381-G384 PolarHBondContact O-N 3.23Å; F382-G384 VanDerWaalsContact C-N 3.32Å; F382-G384 PolarHBondContact O-N 3.19Å; G384-F387 WeakPolarHBondContact O-CB 3.44Å; G384-V388 WeakPolarHBondContact O-CG2 3.46Å; G384-V388 PolarHBondContact O-N 2.85Å
385	T	81.1	Confident	78.5	Confident	3 Å²	3	26.9 Å²	26.9	2%	0.018	14%	0.141	C	C	.	.	H	α-helix	trans	-74.1	-31.3	175.5	-43.3	0	0	0	0	112.2	W249 V252 T256 M362 S381 F382 A383 F387 V388 L389	W249-T385 PolarHBondContact NE1-OG1 3.14Å; V252-T385 HydrophobicContact CG1-CG2 4.48Å; T256-T385 HydrophobicContact CG2-CG2 4.33Å; M362-T385 HydrophobicContact CE-CG2 3.99Å; M362-T385 WeakPolarHBondContact CE-OG1 3.4Å; M362-T385 HydrophobicContact CG-CG2 4.29Å; M362-T385 VanDerWaalsContact SD-CB 3.52Å; M362-T385 HydrophobicContact SD-CG2 3.54Å; M362-T385 VanDerWaalsContact SD-CG2 3.54Å; S381-T385 PolarHBondContact O-N 2.82Å; S381-T385 PolarHBondContact O-OG1 3.23Å; F382-T385 PolarHBondContact O-N 2.92Å; A383-T385 PolarHBondContact O-N 3.33Å; T385-F387 VanDerWaalsContact C-N 3.35Å; T385-V388 CarbonylContact O-C 3.59Å; T385-V388 WeakPolarHBondContact O-CB 3.18Å; T385-V388 PolarHBondContact O-N 3.47Å; T385-V388 VanDerWaalsContact O-N 3.17Å; T385-L389 PolarHBondContact O-N 2.87Å
386	L	81.6	Confident	78.7	Confident	13 Å²	13	24.6 Å²	24.6	7%	0.068	13%	0.131	C	C	.	.	H	α-helix	trans	-66.6	-37	173.3	-82.9	167.7	0	0	0	112.5	I147 C150 W359 F382 A383 V388 L389 K390	I147-L386 HydrophobicContact CD1-CB 4.11Å; I147-L386 HydrophobicContact CD1-CD1 3.48Å; I147-L386 VanDerWaalsContact CD1-CD1 3.48Å; I147-L386 HydrophobicContact CD1-CG 4.42Å; C150-L386 HydrophobicContact CB-CD1 3.84Å; W359-L386 HydrophobicContact CH2-CD1 4.37Å; W359-L386 HydrophobicContact CH2-CD2 3.87Å; W359-L386 HydrophobicContact CH2-CG 4.31Å; W359-L386 HydrophobicContact CZ2-CD2 4.19Å; F382-L386 PolarHBondContact O-N 2.77Å; F382-L386 VanDerWaalsContact O-N 3.07Å; A383-L386 PolarHBondContact O-N 3.24Å; L386-V388 VanDerWaalsContact C-N 3.31Å; L386-V388 PolarHBondContact O-N 3.49Å; L386-L389 HydrophobicContact CD2-CD1 4.43Å; L386-L389 WeakPolarHBondContact O-CB 3.43Å; L386-L389 PolarHBondContact O-N 3.16Å; L386-K390 WeakPolarHBondContact O-CG 3.29Å; L386-K390 PolarHBondContact O-N 3.32Å
387	F	81.5	Confident	78.5	Confident	75 Å²	75	25.9 Å²	25.9	33%	0.329	15%	0.149	S	C	.	.	H	α-helix	trans	-55.7	-47.2	167.2	164	-98.2	0	0	0	111.4	A78 A383 G384 T385 L389 K390 L391	A78-F387 HydrophobicContact CB-CD2 3.88Å; A78-F387 HydrophobicContact CB-CE2 4.05Å; A78-F387 VanDerWaalsContact O-CD2 3.31Å; A78-F387 WeakPolarHBondContact O-CD2 3.46Å; A383-F387 PolarHBondContact O-N 3.39Å; G384-F387 WeakPolarHBondContact O-CB 3.44Å; T385-F387 VanDerWaalsContact C-N 3.35Å; F387-L389 VanDerWaalsContact C-N 3.33Å; F387-L389 PolarHBondContact O-N 3.25Å; F387-K390 PolarHBondContact O-N 2.98Å; F387-L391 HydrophobicContact CD1-CD1 4.08Å; F387-L391 HydrophobicContact CE1-CD1 3.41Å; F387-L391 VanDerWaalsContact CE1-CD1 3.41Å; F387-L391 HydrophobicContact CE1-CG 4.39Å; F387-L391 HydrophobicContact CE2-CD1 4.1Å; F387-L391 HydrophobicContact CE2-CG 4.33Å; F387-L391 HydrophobicContact CZ-CD1 3.43Å; F387-L391 VanDerWaalsContact CZ-CD1 3.43Å; F387-L391 HydrophobicContact CZ-CG 4.14Å; F387-L391 PolarHBondContact O-N 2.76Å
388	V	83.2	Confident	78.4	Confident	19 Å²	19	26.9 Å²	26.9	12%	0.115	16%	0.159	C	C	.	.	H	α-helix	trans	-62.4	-39	176.6	174.2	0	0	0	0	112	G253 I257 G384 T385 L386 L391 G392	G253-V388 VanDerWaalsContact O-CG1 3.27Å; G253-V388 WeakPolarHBondContact O-CG1 3.39Å; I257-V388 HydrophobicContact CD1-CG1 3.75Å; I257-V388 HydrophobicContact CG1-CG1 3.29Å; G384-V388 WeakPolarHBondContact O-CG2 3.46Å; G384-V388 PolarHBondContact O-N 2.85Å; T385-V388 CarbonylContact O-C 3.59Å; T385-V388 WeakPolarHBondContact O-CB 3.18Å; T385-V388 PolarHBondContact O-N 3.47Å; T385-V388 VanDerWaalsContact O-N 3.17Å; L386-V388 VanDerWaalsContact C-N 3.31Å; L386-V388 PolarHBondContact O-N 3.49Å; V388-L391 PolarHBondContact O-N 3.14Å; V388-G392 PolarHBondContact O-N 3.23Å
389	L	83.7	Confident	78.6	Confident	33 Å²	33	29.1 Å²	29.1	17%	0.173	17%	0.171	C	C	.	.	H	α-helix	trans	-62.2	-47.2	175.3	-173.2	153.8	0	0	0	111.5	T256 I260 T385 L386 F387 L391 G392 L393	T256-L389 HydrophobicContact CG2-CB 3.8Å; T256-L389 HydrophobicContact CG2-CD1 4.31Å; T256-L389 HydrophobicContact CG2-CG 4.24Å; I260-L389 HydrophobicContact CD1-CD2 4.4Å; I260-L389 HydrophobicContact CD1-CG 4.31Å; I260-L389 HydrophobicContact CG1-CD2 4.33Å; I260-L389 HydrophobicContact CG1-CG 4.13Å; T385-L389 PolarHBondContact O-N 2.87Å; L386-L389 HydrophobicContact CD2-CD1 4.43Å; L386-L389 WeakPolarHBondContact O-CB 3.43Å; L386-L389 PolarHBondContact O-N 3.16Å; F387-L389 VanDerWaalsContact C-N 3.33Å; F387-L389 PolarHBondContact O-N 3.25Å; L389-L391 VanDerWaalsContact C-N 3.33Å; L389-L391 PolarHBondContact O-N 2.98Å; L389-G392 PolarHBondContact O-N 2.58Å; L389-L393 HydrophobicContact CD2-CD1 3.74Å; L389-L393 HydrophobicContact CD2-CG 4.26Å; L389-L393 PolarHBondContact O-N 2.83Å
390	K	76.4	Confident	78.9	Confident	33 Å²	33	29.8 Å²	29.8	14%	0.143	17%	0.174	C	C	.	.	H	α-helix	trans	-63.3	-38.2	178.1	-71.7	177.7	-176.6	177.3	0	111.9	D77 D81 L386 F387 L393 A394	D77-K390 IonicContact OD1-NZ 3.74Å; D77-K390 PolarHBondContact OD1-NZ 3.28Å; D77-K390 VanDerWaalsContact OD2-CE 3.29Å; D77-K390 WeakPolarHBondContact OD2-CE 3.49Å; D77-K390 IonicContact OD2-NZ 3.71Å; D77-K390 PolarHBondContact OD2-NZ 3.46Å; D81-K390 IonicContact OD1-NZ 2.68Å; D81-K390 PolarHBondContact OD1-NZ 2.9Å; D81-K390 WeakPolarHBondContact OD2-CD 3.33Å; D81-K390 WeakPolarHBondContact OD2-CE 3.34Å; D81-K390 IonicContact OD2-NZ 3.37Å; D81-K390 PolarHBondContact OD2-NZ 3.48Å; L386-K390 WeakPolarHBondContact O-CG 3.29Å; L386-K390 PolarHBondContact O-N 3.32Å; F387-K390 PolarHBondContact O-N 2.98Å; K390-L393 PolarHBondContact O-N 3.26Å; K390-A394 PolarHBondContact O-N 3.34Å
391	L	75.6	Confident	78.8	Confident	64 Å²	64	31.6 Å²	31.6	34%	0.335	19%	0.193	S	C	.	.	H	α-helix	trans	-59.7	-47.2	171.9	-81.5	173.9	0	0	0	111.7	F387 V388 L389 L393 A394 F395	F387-L391 HydrophobicContact CD1-CD1 4.08Å; F387-L391 HydrophobicContact CE1-CD1 3.41Å; F387-L391 VanDerWaalsContact CE1-CD1 3.41Å; F387-L391 HydrophobicContact CE1-CG 4.39Å; F387-L391 HydrophobicContact CE2-CD1 4.1Å; F387-L391 HydrophobicContact CE2-CG 4.33Å; F387-L391 HydrophobicContact CZ-CD1 3.43Å; F387-L391 VanDerWaalsContact CZ-CD1 3.43Å; F387-L391 HydrophobicContact CZ-CG 4.14Å; F387-L391 PolarHBondContact O-N 2.76Å; V388-L391 PolarHBondContact O-N 3.14Å; L389-L391 VanDerWaalsContact C-N 3.33Å; L389-L391 PolarHBondContact O-N 2.98Å; L391-L393 VanDerWaalsContact C-N 3.32Å; L391-L393 PolarHBondContact O-N 3.35Å; L391-A394 PolarHBondContact O-N 2.91Å; L391-A394 VanDerWaalsContact O-N 3.16Å; L391-F395 HydrophobicContact CD2-CE2 4.43Å; L391-F395 VanDerWaalsContact O-CD2 3.23Å; L391-F395 WeakPolarHBondContact O-CD2 3.48Å; L391-F395 PolarHBondContact O-N 3.17Å
392	G	77.8	Confident	78.9	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.3	-38.1	177.9	0	0	0	0	0	113.1	I260 V388 L389 G396	I260-G392 VanDerWaalsContact CG2-CA 3.5Å; V388-G392 PolarHBondContact O-N 3.23Å; L389-G392 PolarHBondContact O-N 2.58Å; G392-G396 PolarHBondContact O-N 2.96Å
393	L	77.2	Confident	79.1	Confident	45 Å²	45	42 Å²	42	24%	0.236	24%	0.235	C	C	.	.	H	α-helix	trans	-62.1	-45.1	171.7	-72.6	172.6	0	0	0	112.2	I260 C264 L389 K390 L391 G396 G397	I260-L393 HydrophobicContact CD1-CD2 3.95Å; I260-L393 HydrophobicContact CD1-CG 4.36Å; I260-L393 HydrophobicContact CG1-CD2 3.63Å; I260-L393 HydrophobicContact CG1-CG 3.73Å; C264-L393 HydrophobicContact CB-CD2 4.08Å; L389-L393 HydrophobicContact CD2-CD1 3.74Å; L389-L393 HydrophobicContact CD2-CG 4.26Å; L389-L393 PolarHBondContact O-N 2.83Å; K390-L393 PolarHBondContact O-N 3.26Å; L391-L393 VanDerWaalsContact C-N 3.32Å; L391-L393 PolarHBondContact O-N 3.35Å; L393-G396 PolarHBondContact O-N 3.04Å; L393-G397 PolarHBondContact O-N 3.2Å
394	A	73.4	Confident	79.3	Confident	61 Å²	61	42.5 Å²	42.5	50%	0.504	24%	0.237	S	C	.	.	H	α-helix	trans	-62.3	-45.1	179.1	0	0	0	0	0	111.8	K390 L391 G397 A398	K390-A394 PolarHBondContact O-N 3.34Å; L391-A394 PolarHBondContact O-N 2.91Å; L391-A394 VanDerWaalsContact O-N 3.16Å; A394-G397 PolarHBondContact O-N 3.04Å; A394-A398 WeakPolarHBondContact O-CB 3.5Å; A394-A398 PolarHBondContact O-N 3.3Å; A394-A398 VanDerWaalsContact O-N 3.07Å
395	F	75.2	Confident	79.3	Confident	123 Å²	123	45.6 Å²	45.6	54%	0.539	26%	0.261	S	S	.	.	H	α-helix	trans	-64.2	-39.1	174.8	-81.2	-67.9	0	0	0	112.4	L261 L391 A398 L399	L261-F395 HydrophobicContact CD1-CB 4.32Å; L391-F395 HydrophobicContact CD2-CE2 4.43Å; L391-F395 VanDerWaalsContact O-CD2 3.23Å; L391-F395 WeakPolarHBondContact O-CD2 3.48Å; L391-F395 PolarHBondContact O-N 3.17Å; F395-A398 PolarHBondContact O-N 2.87Å; F395-L399 VanDerWaalsContact O-CB 3.29Å; F395-L399 WeakPolarHBondContact O-CB 3.36Å; F395-L399 PolarHBondContact O-N 3.17Å
396	G	76	Confident	79.5	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-62.1	-46.6	176.9	0	0	0	0	0	113	L261 G392 L393 L399 I400	L261-G396 VanDerWaalsContact CD1-CA 3.42Å; G392-G396 PolarHBondContact O-N 2.96Å; L393-G396 PolarHBondContact O-N 3.04Å; G396-L399 PolarHBondContact O-N 3.25Å; G396-I400 WeakPolarHBondContact O-CG1 3.08Å; G396-I400 PolarHBondContact O-N 2.91Å
397	G	72.5	Confident	79.7	Confident	42 Å²	42	55.1 Å²	55.1	43%	0.433	30%	0.3	S	S	.	.	H	α-helix	trans	-61.9	-44	175.5	0	0	0	0	0	112.6	L393 A394 G401	L393-G397 PolarHBondContact O-N 3.2Å; A394-G397 PolarHBondContact O-N 3.04Å; G397-G401 PolarHBondContact O-N 2.79Å
398	A	75.8	Confident	79.8	Confident	32 Å²	32	53.7 Å²	53.7	26%	0.264	31%	0.306	S	S	.	.	H	α-helix	trans	-64.2	-42	178	0	0	0	0	0	112.6	A394 F395 I400 G401 W402	A394-A398 WeakPolarHBondContact O-CB 3.5Å; A394-A398 PolarHBondContact O-N 3.3Å; A394-A398 VanDerWaalsContact O-N 3.07Å; F395-A398 PolarHBondContact O-N 2.87Å; A398-I400 VanDerWaalsContact C-N 3.34Å; A398-I400 PolarHBondContact O-N 2.85Å; A398-G401 PolarHBondContact O-N 3.01Å; A398-W402 HydrophobicContact CB-CD2 4.45Å; A398-W402 HydrophobicContact CB-CE3 4.4Å; A398-W402 HydrophobicContact CB-CH2 4.08Å; A398-W402 HydrophobicContact CB-CZ2 4.12Å; A398-W402 HydrophobicContact CB-CZ3 4.23Å; A398-W402 PolarHBondContact O-N 3.12Å
399	L	81.8	Confident	79.9	Confident	49 Å²	49	56 Å²	56	26%	0.257	31%	0.313	S	S	.	.	H	α-helix	trans	-60	-42.5	-179.3	-177.9	64.3	0	0	0	112.2	V265 F395 G396 W402 M403 V431	V265-L399 HydrophobicContact CG2-CD2 3.95Å; F395-L399 VanDerWaalsContact O-CB 3.29Å; F395-L399 WeakPolarHBondContact O-CB 3.36Å; F395-L399 PolarHBondContact O-N 3.17Å; G396-L399 PolarHBondContact O-N 3.25Å; L399-W402 PolarHBondContact O-N 2.94Å; L399-M403 HydrophobicContact CD1-CG 4.07Å; L399-M403 HydrophobicContact CD1-SD 3.94Å; L399-M403 HydrophobicContact CG-CG 4.46Å; L399-M403 HydrophobicContact CG-SD 4.11Å; L399-M403 WeakPolarHBondContact O-CB 3.24Å; L399-M403 WeakPolarHBondContact O-CG 3.45Å; L399-M403 PolarHBondContact O-N 3.24Å; L399-V431 HydrophobicContact CD2-CG1 3.93Å
400	I	81.5	Confident	79.7	Confident	14 Å²	14	58.2 Å²	58.2	7%	0.072	33%	0.325	C	S	.	.	H	α-helix	trans	-60.5	-49.7	176.5	-62.5	164.7	0	0	0	110	V265 G396 A398 W402 M403 L404 L427	V265-I400 HydrophobicContact CG1-CG1 4.33Å; V265-I400 HydrophobicContact CG2-CG1 4.49Å; G396-I400 WeakPolarHBondContact O-CG1 3.08Å; G396-I400 PolarHBondContact O-N 2.91Å; A398-I400 VanDerWaalsContact C-N 3.34Å; A398-I400 PolarHBondContact O-N 2.85Å; I400-W402 PolarHBondContact O-N 2.86Å; I400-M403 PolarHBondContact O-N 2.88Å; I400-L404 HydrophobicContact CG2-CD1 3.82Å; I400-L404 HydrophobicContact CG2-CG 4.38Å; I400-L404 WeakPolarHBondContact O-CB 3.35Å; I400-L404 WeakPolarHBondContact O-CG 3.29Å; I400-L404 PolarHBondContact O-N 2.82Å; I400-L427 HydrophobicContact CG1-CD2 4.44Å; I400-L427 HydrophobicContact CG2-CD1 4.42Å
401	G	76.4	Confident	79.7	Confident	40 Å²	40	60 Å²	60	41%	0.412	35%	0.345	S	S	.	.	H	α-helix	trans	-59.7	-45.9	179.8	0	0	0	0	0	112.8	G397 A398 A405	G397-G401 PolarHBondContact O-N 2.79Å; A398-G401 PolarHBondContact O-N 3.01Å; G401-A405 WeakPolarHBondContact O-CB 3.29Å; G401-A405 PolarHBondContact O-N 3.03Å
402	W	83	Confident	79.6	Confident	175 Å²	175	61.1 Å²	61.1	66%	0.663	36%	0.364	S	S	*	.	H	α-helix	trans	-66.8	-41.3	178.6	-65.7	-25.4	0	0	0	113	A398 L399 I400 A405 Y406	A398-W402 HydrophobicContact CB-CD2 4.45Å; A398-W402 HydrophobicContact CB-CE3 4.4Å; A398-W402 HydrophobicContact CB-CH2 4.08Å; A398-W402 HydrophobicContact CB-CZ2 4.12Å; A398-W402 HydrophobicContact CB-CZ3 4.23Å; A398-W402 PolarHBondContact O-N 3.12Å; L399-W402 PolarHBondContact O-N 2.94Å; I400-W402 PolarHBondContact O-N 2.86Å; W402-A405 PolarHBondContact O-N 3.17Å; W402-Y406 WeakPolarHBondContact O-CB 3.38Å; W402-Y406 PolarHBondContact O-N 3.05Å
403	M	87.5	Confident	79.5	Confident	51 Å²	51	66.4 Å²	66.4	25%	0.251	39%	0.389	S	S	.	.	H	α-helix	trans	-68.9	-42.2	178.8	-72.1	-170.3	73.7	0	0	111.6	L399 I400 A405 Y406 G407 I423 L427 V431	L399-M403 HydrophobicContact CD1-CG 4.07Å; L399-M403 HydrophobicContact CD1-SD 3.94Å; L399-M403 HydrophobicContact CG-CG 4.46Å; L399-M403 HydrophobicContact CG-SD 4.11Å; L399-M403 WeakPolarHBondContact O-CB 3.24Å; L399-M403 WeakPolarHBondContact O-CG 3.45Å; L399-M403 PolarHBondContact O-N 3.24Å; I400-M403 PolarHBondContact O-N 2.88Å; M403-A405 PolarHBondContact O-N 2.92Å; M403-Y406 PolarHBondContact O-N 2.83Å; M403-G407 PolarHBondContact O-N 3.03Å; M403-I423 HydrophobicContact CB-CG2 3.88Å; M403-L427 HydrophobicContact CB-CD1 4.08Å; M403-L427 HydrophobicContact CB-CD2 4.13Å; M403-L427 HydrophobicContact CB-CG 4.35Å; M403-L427 HydrophobicContact CE-CD2 4.35Å; M403-L427 HydrophobicContact CE-CG 4.45Å; M403-L427 HydrophobicContact CG-CD2 4.29Å; M403-L427 HydrophobicContact SD-CD2 3.45Å; M403-L427 WeakPolarHBondContact SD-CD2 3.46Å; M403-L427 HydrophobicContact SD-CG 4.13Å; M403-V431 HydrophobicContact SD-CG2 4.36Å
404	L	83.9	Confident	79.3	Confident	9 Å²	9	74.2 Å²	74.2	5%	0.047	42%	0.421	C	S	.	.	H	α-helix	trans	-62.3	-42.2	175.2	-72.2	174.8	0	0	0	112	Y272 I400 G407 G408 Y409 I424 L427	Y272-L404 HydrophobicContact CD1-CD1 4.18Å; Y272-L404 HydrophobicContact CD2-CD1 4.16Å; Y272-L404 HydrophobicContact CE1-CD1 3.8Å; Y272-L404 HydrophobicContact CE2-CD1 3.77Å; Y272-L404 HydrophobicContact CG-CD1 4.35Å; I400-L404 HydrophobicContact CG2-CD1 3.82Å; I400-L404 HydrophobicContact CG2-CG 4.38Å; I400-L404 WeakPolarHBondContact O-CB 3.35Å; I400-L404 WeakPolarHBondContact O-CG 3.29Å; I400-L404 PolarHBondContact O-N 2.82Å; L404-G407 PolarHBondContact O-N 2.93Å; L404-G408 PolarHBondContact O-N 2.85Å; L404-Y409 HydrophobicContact CB-CG 4.44Å; L404-Y409 HydrophobicContact CD2-CD2 4.24Å; L404-Y409 HydrophobicContact CD2-CG 4.4Å; L404-Y409 VanDerWaalsContact O-CB 3.31Å; L404-Y409 WeakPolarHBondContact O-CB 3.38Å; L404-Y409 PolarHBondContact O-N 2.96Å; L404-Y409 VanDerWaalsContact O-N 3.08Å; L404-I424 HydrophobicContact CD2-CD1 4.45Å; L404-I424 HydrophobicContact CD2-CG1 3.8Å; L404-L427 HydrophobicContact CD2-CD1 4.39Å; L404-L427 HydrophobicContact CG-CD1 4.31Å
405	A	80.7	Confident	79.7	Confident	76 Å²	76	74.7 Å²	74.7	63%	0.628	43%	0.425	S	S	*	.	H	α-helix	trans	-62.7	-43.3	175.6	0	0	0	0	0	111.9	G401 W402 M403 G407 G408	G401-A405 WeakPolarHBondContact O-CB 3.29Å; G401-A405 PolarHBondContact O-N 3.03Å; W402-A405 PolarHBondContact O-N 3.17Å; M403-A405 PolarHBondContact O-N 2.92Å; A405-G407 VanDerWaalsContact C-N 3.25Å; A405-G407 PolarHBondContact O-N 2.72Å; A405-G408 PolarHBondContact O-N 3.4Å
406	Y	85.6	Confident	80.3	Confident	211 Å²	211	69.7 Å²	69.7	83%	0.827	40%	0.403	S	S	*	.	H	α-helix	trans	-60.8	-34.6	175.2	180	-100.1	0	0	0	112.6	W402 M403 G408 I423	W402-Y406 WeakPolarHBondContact O-CB 3.38Å; W402-Y406 PolarHBondContact O-N 3.05Å; M403-Y406 PolarHBondContact O-N 2.83Å; Y406-G408 PolarHBondContact O-N 3.44Å; Y406-I423 HydrophobicContact CD1-CD1 4.06Å
407	G	84.5	Confident	80.9	Confident	6 Å²	6	73 Å²	73	6%	0.062	42%	0.421	C	S	.	.	H	α-helix	trans	-71	-15.2	174.2	0	0	0	0	0	115	M403 L404 A405 N417 T420	M403-G407 PolarHBondContact O-N 3.03Å; L404-G407 PolarHBondContact O-N 2.93Å; A405-G407 VanDerWaalsContact C-N 3.25Å; A405-G407 PolarHBondContact O-N 2.72Å; G407-N417 PolarHBondContact O-ND2 3.11Å; G407-N417 PolarHBondContact O-OD1 2.91Å; G407-T420 VanDerWaalsContact C-OG1 3.29Å; G407-T420 PolarHBondContact O-OG1 2.84Å
408	G	84.1	Confident	81.7	Confident	44 Å²	44	75.6 Å²	75.6	45%	0.454	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.8	39.9	-170.8	0	0	0	0	0	112.5	L404 A405 Y406 D410 N417	L404-G408 PolarHBondContact O-N 2.85Å; A405-G408 PolarHBondContact O-N 3.4Å; Y406-G408 PolarHBondContact O-N 3.44Å; G408-D410 PolarHBondContact O-N 2.81Å; G408-N417 PolarHBondContact O-ND2 2.8Å
409	Y	85.8	Confident	82.3	Confident	67 Å²	67	76.3 Å²	76.3	26%	0.263	44%	0.439	S	S	.	.			trans	-58.6	126.6	173.7	175.3	-94.1	0	0	0	111.5	Y272 W276 L404 A411 T420	Y272-Y409 HydrophobicContact CD1-CD2 4.49Å; Y272-Y409 AromaticContact CD1-CE2 3.73Å; Y272-Y409 HydrophobicContact CD1-CE2 3.73Å; Y272-Y409 AromaticContact CD1-CZ 3.85Å; Y272-Y409 HydrophobicContact CE1-CE1 4.04Å; Y272-Y409 AromaticContact CE1-CE2 3.89Å; Y272-Y409 HydrophobicContact CE1-CE2 3.89Å; Y272-Y409 AromaticContact CE1-CZ 3.56Å; W276-Y409 AromaticContact NE1-CE2 3.55Å; L404-Y409 HydrophobicContact CB-CG 4.44Å; L404-Y409 HydrophobicContact CD2-CD2 4.24Å; L404-Y409 HydrophobicContact CD2-CG 4.4Å; L404-Y409 VanDerWaalsContact O-CB 3.31Å; L404-Y409 WeakPolarHBondContact O-CB 3.38Å; L404-Y409 PolarHBondContact O-N 2.96Å; L404-Y409 VanDerWaalsContact O-N 3.08Å; Y409-A411 HydrophobicContact CE1-CB 3.97Å; Y409-T420 HydrophobicContact CD2-CG2 3.76Å; Y409-T420 HydrophobicContact CG-CG2 4.35Å; Y409-T420 PolarHBondContact N-OG1 2.92Å
410	D	79.9	Confident	82.7	Confident	81 Å²	81	74 Å²	74	43%	0.433	43%	0.426	S	S	.	.			trans	-131	113.5	173.9	-171.6	-18.6	0	0	0	110.2	G408 A412 E413 Q416	G408-D410 PolarHBondContact O-N 2.81Å; D410-A412 PolarHBondContact O-N 2.8Å; D410-A412 WeakPolarHBondContact OD1-CB 3.23Å; D410-A412 PolarHBondContact OD1-N 2.92Å; D410-E413 HydrophobicContact CB-CG 4.07Å; D410-E413 PolarHBondContact O-N 3.33Å; D410-Q416 PolarHBondContact O-NE2 3.35Å
411	A	75.4	Confident	83.2	Confident	69 Å²	69	75.6 Å²	75.6	57%	0.57	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-16.1	-178.5	0	0	0	0	0	114.1	Y409	Y409-A411 HydrophobicContact CE1-CB 3.97Å
412	A	74.6	Confident	83.9	Confident	89 Å²	89	77 Å²	77	74%	0.736	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-16.7	-178.6	0	0	0	0	0	113.5	D410	D410-A412 PolarHBondContact O-N 2.8Å; D410-A412 WeakPolarHBondContact OD1-CB 3.23Å; D410-A412 PolarHBondContact OD1-N 2.92Å
413	E	74.7	Confident	84.4	Confident	111 Å²	111	69.6 Å²	69.6	52%	0.519	41%	0.412	S	S	.	.	S	Bend	trans	-73.9	142.9	-178.1	-79.7	-65.8	165.5	0	0	112.5	W276 D410 A415	W276-E413 VanDerWaalsContact CH2-O 3.25Å; W276-E413 WeakPolarHBondContact CH2-O 3.43Å; D410-E413 HydrophobicContact CB-CG 4.07Å; D410-E413 PolarHBondContact O-N 3.33Å; E413-A415 PolarHBondContact O-N 3.1Å
414	K	73.8	Confident	84.6	Confident	209 Å²	209	67.2 Å²	67.2	91%	0.909	40%	0.4	S	S	*	.	S	Bend	trans	-71.9	-20.5	176.8	-72.6	-175.1	178.5	179.6	0	112.9
415	A	81.2	Confident	85	Confident	71 Å²	71	68 Å²	68	59%	0.587	40%	0.403	S	S	*	.	S	Bend	trans	-149	137.8	174.5	0	0	0	0	0	109.8	E413	E413-A415 PolarHBondContact O-N 3.1Å
416	Q	87	Confident	85.6	Confident	18 Å²	18	65.2 Å²	65.2	8%	0.084	38%	0.381	C	S	.	.			trans	-76.3	152.9	178.1	-63.9	-58	-50.1	0	0	111.9	W276 D410 T420 I421	W276-Q416 HydrophobicContact CB-CG 4.47Å; W276-Q416 HydrophobicContact CD2-CG 3.52Å; W276-Q416 HydrophobicContact CE3-CG 3.6Å; W276-Q416 HydrophobicContact CG-CG 3.92Å; W276-Q416 HydrophobicContact CH2-CG 4.35Å; W276-Q416 VanDerWaalsContact CH2-NE2 3.33Å; W276-Q416 HydrophobicContact CZ2-CG 4.29Å; W276-Q416 VanDerWaalsContact CZ2-NE2 3.28Å; W276-Q416 HydrophobicContact CZ3-CG 4.02Å; D410-Q416 PolarHBondContact O-NE2 3.35Å; Q416-T420 HydrophobicContact CB-CG2 4.1Å; Q416-T420 HydrophobicContact CG-CG2 4.16Å; Q416-I421 HydrophobicContact CB-CG1 4.05Å
417	N	89.1	Confident	85.9	Confident	68 Å²	68	55.2 Å²	55.2	36%	0.364	34%	0.342	S	S	.	.			trans	-67.7	161.8	173.7	76.3	58.4	0	0	0	111.7	G407 G408 A419 T420 I421	G407-N417 PolarHBondContact O-ND2 3.11Å; G407-N417 PolarHBondContact O-OD1 2.91Å; G408-N417 PolarHBondContact O-ND2 2.8Å; N417-A419 VanDerWaalsContact C-N 3.29Å; N417-A419 PolarHBondContact O-N 2.81Å; N417-A419 WeakPolarHBondContact OD1-CA 3.41Å; N417-A419 VanDerWaalsContact OD1-CB 3.31Å; N417-A419 WeakPolarHBondContact OD1-CB 3.43Å; N417-A419 PolarHBondContact OD1-N 2.85Å; N417-T420 PolarHBondContact ND2-OG1 2.85Å; N417-T420 PolarHBondContact O-N 2.91Å; N417-T420 PolarHBondContact OD1-N 2.84Å; N417-T420 PolarHBondContact OD1-OG1 3.1Å; N417-I421 PolarHBondContact O-N 2.73Å
418	S	88.7	Confident	86.3	Confident	98 Å²	98	55 Å²	55	69%	0.685	34%	0.339	S	S	*	.	H	α-helix	trans	-63.3	-30.7	-176.2	55.6	0	0	0	0	114	S422	S418-S422 WeakPolarHBondContact O-CB 3.39Å; S418-S422 PolarHBondContact O-N 2.83Å; S418-S422 VanDerWaalsContact O-N 3.07Å; S418-S422 PolarHBondContact O-OG 3.36Å
419	A	89.8	Confident	86.8	Confident	47 Å²	47	52.9 Å²	52.9	39%	0.388	32%	0.317	S	S	.	.	H	α-helix	trans	-69.3	-46	177.1	0	0	0	0	0	110.7	N417 I421 S422 I423	N417-A419 VanDerWaalsContact C-N 3.29Å; N417-A419 PolarHBondContact O-N 2.81Å; N417-A419 WeakPolarHBondContact OD1-CA 3.41Å; N417-A419 VanDerWaalsContact OD1-CB 3.31Å; N417-A419 WeakPolarHBondContact OD1-CB 3.43Å; N417-A419 PolarHBondContact OD1-N 2.85Å; A419-I421 PolarHBondContact O-N 2.65Å; A419-S422 WeakPolarHBondContact O-CB 3.47Å; A419-S422 PolarHBondContact O-N 2.82Å; A419-I423 WeakPolarHBondContact O-CB 3.11Å; A419-I423 WeakPolarHBondContact O-CG1 3.42Å; A419-I423 PolarHBondContact O-N 3.04Å
420	T	90.2	Very high	87.3	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-60.8	-44.6	175.2	-60.9	0	0	0	0	111.9	G407 Y409 Q416 N417 S422 I423 I424	G407-T420 VanDerWaalsContact C-OG1 3.29Å; G407-T420 PolarHBondContact O-OG1 2.84Å; Y409-T420 HydrophobicContact CD2-CG2 3.76Å; Y409-T420 HydrophobicContact CG-CG2 4.35Å; Y409-T420 PolarHBondContact N-OG1 2.92Å; Q416-T420 HydrophobicContact CB-CG2 4.1Å; Q416-T420 HydrophobicContact CG-CG2 4.16Å; N417-T420 PolarHBondContact ND2-OG1 2.85Å; N417-T420 PolarHBondContact O-N 2.91Å; N417-T420 PolarHBondContact OD1-N 2.84Å; N417-T420 PolarHBondContact OD1-OG1 3.1Å; T420-S422 VanDerWaalsContact C-N 3.32Å; T420-S422 PolarHBondContact O-N 2.86Å; T420-I423 PolarHBondContact O-N 3.12Å; T420-I424 HydrophobicContact CG2-CD1 3.92Å; T420-I424 HydrophobicContact CG2-CG1 4.4Å; T420-I424 WeakPolarHBondContact O-CG1 3.44Å; T420-I424 PolarHBondContact O-N 2.79Å
421	I	90.9	Very high	88	Confident	47 Å²	47	49.3 Å²	49.3	24%	0.241	30%	0.303	C	S	.	.	H	α-helix	trans	-57.4	-47.5	175.3	-72	-179.7	0	0	0	110.4	I277 Q416 N417 A419 I423 I424 I425	I277-I421 HydrophobicContact CD1-CB 4.37Å; I277-I421 HydrophobicContact CD1-CG1 4.47Å; I277-I421 HydrophobicContact CD1-CG2 3.74Å; Q416-I421 HydrophobicContact CB-CG1 4.05Å; N417-I421 PolarHBondContact O-N 2.73Å; A419-I421 PolarHBondContact O-N 2.65Å; I421-I423 VanDerWaalsContact C-N 3.3Å; I421-I423 PolarHBondContact O-N 3.22Å; I421-I424 PolarHBondContact O-N 3.42Å; I421-I425 HydrophobicContact CG2-CD1 3.96Å; I421-I425 WeakPolarHBondContact O-CG1 3.48Å; I421-I425 PolarHBondContact O-N 3.31Å
422	S	91.6	Very high	88.9	Confident	71 Å²	71	46 Å²	46	50%	0.497	28%	0.276	S	S	.	.	H	α-helix	trans	-61.9	-38.8	178.6	-58.2	0	0	0	0	112.1	S418 A419 T420 I425 A426	S418-S422 WeakPolarHBondContact O-CB 3.39Å; S418-S422 PolarHBondContact O-N 2.83Å; S418-S422 VanDerWaalsContact O-N 3.07Å; S418-S422 PolarHBondContact O-OG 3.36Å; A419-S422 WeakPolarHBondContact O-CB 3.47Å; A419-S422 PolarHBondContact O-N 2.82Å; T420-S422 VanDerWaalsContact C-N 3.32Å; T420-S422 PolarHBondContact O-N 2.86Å; S422-I425 PolarHBondContact O-N 3.4Å; S422-A426 WeakPolarHBondContact O-CB 3.35Å; S422-A426 PolarHBondContact O-N 2.85Å
423	I	93.2	Very high	90	Very high	19 Å²	19	42.2 Å²	42.2	10%	0.097	25%	0.245	C	C	.	.	H	α-helix	trans	-68.5	-43.2	177.9	-76.8	161.1	0	0	0	111.7	M403 Y406 A419 T420 I421 I425 A426 L427	M403-I423 HydrophobicContact CB-CG2 3.88Å; Y406-I423 HydrophobicContact CD1-CD1 4.06Å; A419-I423 WeakPolarHBondContact O-CB 3.11Å; A419-I423 WeakPolarHBondContact O-CG1 3.42Å; A419-I423 PolarHBondContact O-N 3.04Å; T420-I423 PolarHBondContact O-N 3.12Å; I421-I423 VanDerWaalsContact C-N 3.3Å; I421-I423 PolarHBondContact O-N 3.22Å; I423-I425 VanDerWaalsContact C-N 3.3Å; I423-I425 PolarHBondContact O-N 3.06Å; I423-A426 PolarHBondContact O-N 3.1Å; I423-L427 HydrophobicContact CG2-CD1 3.8Å; I423-L427 HydrophobicContact CG2-CG 4.28Å; I423-L427 WeakPolarHBondContact O-CB 3.25Å; I423-L427 WeakPolarHBondContact O-CG 3.14Å; I423-L427 PolarHBondContact O-N 3.17Å
424	I	91.9	Very high	91	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-60.1	-44.8	175.9	-69.7	167.9	0	0	0	109.8	Y273 W276 I277 L404 T420 I421 F428	Y273-I424 HydrophobicContact CD2-CG2 4.15Å; W276-I424 HydrophobicContact CB-CD1 4.1Å; W276-I424 HydrophobicContact CG-CD1 4.28Å; I277-I424 HydrophobicContact CD1-CB 4.47Å; I277-I424 HydrophobicContact CD1-CG2 4.23Å; I277-I424 HydrophobicContact CG1-CG2 3.81Å; L404-I424 HydrophobicContact CD2-CD1 4.45Å; L404-I424 HydrophobicContact CD2-CG1 3.8Å; T420-I424 HydrophobicContact CG2-CD1 3.92Å; T420-I424 HydrophobicContact CG2-CG1 4.4Å; T420-I424 WeakPolarHBondContact O-CG1 3.44Å; T420-I424 PolarHBondContact O-N 2.79Å; I421-I424 PolarHBondContact O-N 3.42Å; I424-F428 WeakPolarHBondContact O-CB 3.19Å; I424-F428 PolarHBondContact O-N 3.2Å; I424-F428 VanDerWaalsContact O-N 3.08Å
425	I	92.7	Very high	92.1	Very high	24 Å²	24	31.7 Å²	31.7	12%	0.123	20%	0.201	C	C	.	.	H	α-helix	trans	-61.2	-47.5	176	-66.1	168.6	0	0	0	110.2	Y273 I277 F330 I421 S422 I423 F428 T429	Y273-I425 HydrophobicContact CE2-CG1 4.23Å; I277-I425 HydrophobicContact CD1-CD1 4.18Å; I277-I425 HydrophobicContact CD1-CG1 3.86Å; I277-I425 HydrophobicContact CG1-CG1 4.15Å; I277-I425 HydrophobicContact CG2-CG1 4.38Å; F330-I425 HydrophobicContact CD2-CG2 3.6Å; F330-I425 HydrophobicContact CE2-CG2 3.81Å; I421-I425 HydrophobicContact CG2-CD1 3.96Å; I421-I425 WeakPolarHBondContact O-CG1 3.48Å; I421-I425 PolarHBondContact O-N 3.31Å; S422-I425 PolarHBondContact O-N 3.4Å; I423-I425 VanDerWaalsContact C-N 3.3Å; I423-I425 PolarHBondContact O-N 3.06Å; I425-F428 PolarHBondContact O-N 2.82Å; I425-T429 WeakPolarHBondContact O-CB 3.5Å; I425-T429 WeakPolarHBondContact O-CG2 3.43Å; I425-T429 PolarHBondContact O-N 3.17Å; I425-T429 PolarHBondContact O-OG1 2.88Å
426	A	93.5	Very high	92.8	Very high	19 Å²	19	28.4 Å²	28.4	16%	0.157	17%	0.174	C	C	.	.	H	α-helix	trans	-63.8	-41.6	-179	0	0	0	0	0	113.1	S422 I423 F428 T429 I430 V431	S422-A426 WeakPolarHBondContact O-CB 3.35Å; S422-A426 PolarHBondContact O-N 2.85Å; I423-A426 PolarHBondContact O-N 3.1Å; A426-F428 VanDerWaalsContact C-N 3.29Å; A426-F428 PolarHBondContact O-N 3.09Å; A426-T429 PolarHBondContact O-N 2.86Å; A426-I430 HydrophobicContact CB-CD1 4.34Å; A426-I430 PolarHBondContact O-N 2.8Å; A426-V431 PolarHBondContact O-N 3.4Å
427	L	92	Very high	93.3	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-61.8	-37.9	174.7	-76.6	168.7	0	0	0	111.4	V265 A269 I400 M403 L404 I423 P432	V265-L427 HydrophobicContact CG1-CB 4.32Å; V265-L427 HydrophobicContact CG1-CD2 3.76Å; V265-L427 WeakPolarHBondContact CG1-O 3.32Å; A269-L427 HydrophobicContact CB-CB 3.86Å; I400-L427 HydrophobicContact CG1-CD2 4.44Å; I400-L427 HydrophobicContact CG2-CD1 4.42Å; M403-L427 HydrophobicContact CB-CD1 4.08Å; M403-L427 HydrophobicContact CB-CD2 4.13Å; M403-L427 HydrophobicContact CB-CG 4.35Å; M403-L427 HydrophobicContact CE-CD2 4.35Å; M403-L427 HydrophobicContact CE-CG 4.45Å; M403-L427 HydrophobicContact CG-CD2 4.29Å; M403-L427 HydrophobicContact SD-CD2 3.45Å; M403-L427 WeakPolarHBondContact SD-CD2 3.46Å; M403-L427 HydrophobicContact SD-CG 4.13Å; L404-L427 HydrophobicContact CD2-CD1 4.39Å; L404-L427 HydrophobicContact CG-CD1 4.31Å; I423-L427 HydrophobicContact CG2-CD1 3.8Å; I423-L427 HydrophobicContact CG2-CG 4.28Å; I423-L427 WeakPolarHBondContact O-CB 3.25Å; I423-L427 WeakPolarHBondContact O-CG 3.14Å; I423-L427 PolarHBondContact O-N 3.17Å; L427-P432 WeakPolarHBondContact O-CD 3.4Å; L427-P432 WeakPolarHBondContact O-CG 3.43Å
428	F	92.8	Very high	93.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-79.5	-26.7	-178.3	-154.8	-111.5	0	0	0	113.5	R266 A269 M270 Y273 F287 M329 I344 I424 I425 A426	R266-F428 HydrophobicContact CG-CD2 4.04Å; R266-F428 HydrophobicContact CG-CE2 3.63Å; R266-F428 HydrophobicContact CG-CZ 4.11Å; R266-F428 PolarHBondContact NE-O 3.07Å; R266-F428 PolarHBondContact NH2-O 2.9Å; R266-F428 VanDerWaalsContact O-CE2 3.28Å; R266-F428 WeakPolarHBondContact O-CE2 3.42Å; A269-F428 HydrophobicContact CB-CD2 4.03Å; M270-F428 VanDerWaalsContact CA-CE2 3.41Å; M270-F428 HydrophobicContact CB-CE2 3.69Å; M270-F428 HydrophobicContact CB-CZ 4.36Å; M270-F428 HydrophobicContact CE-CE2 4.36Å; M270-F428 HydrophobicContact CE-CZ 4.21Å; M270-F428 HydrophobicContact CG-CE2 3.97Å; M270-F428 HydrophobicContact CG-CZ 4.13Å; Y273-F428 AromaticContact CD1-CD1 3.93Å; Y273-F428 HydrophobicContact CD1-CD1 3.93Å; Y273-F428 HydrophobicContact CD1-CE1 4.04Å; Y273-F428 HydrophobicContact CD2-CB 3.54Å; Y273-F428 AromaticContact CD2-CD1 3.62Å; Y273-F428 HydrophobicContact CD2-CD1 3.62Å; Y273-F428 AromaticContact CD2-CG 3.65Å; Y273-F428 HydrophobicContact CD2-CG 3.65Å; Y273-F428 HydrophobicContact CE1-CD1 4.17Å; Y273-F428 HydrophobicContact CE1-CE1 4.36Å; Y273-F428 HydrophobicContact CE2-CB 4.08Å; Y273-F428 AromaticContact CE2-CD1 3.87Å; Y273-F428 HydrophobicContact CE2-CD1 3.87Å; Y273-F428 HydrophobicContact CE2-CG 4.26Å; Y273-F428 HydrophobicContact CG-CB 4.18Å; Y273-F428 AromaticContact CG-CD1 3.65Å; Y273-F428 HydrophobicContact CG-CD1 3.65Å; Y273-F428 HydrophobicContact CG-CD2 4.35Å; Y273-F428 HydrophobicContact CG-CE1 4.12Å; Y273-F428 AromaticContact CG-CG 3.79Å; Y273-F428 HydrophobicContact CG-CG 3.79Å; F287-F428 HydrophobicContact CE1-CE1 4.27Å; F287-F428 AromaticContact CE1-CZ 3.88Å; F287-F428 HydrophobicContact CE1-CZ 3.88Å; F287-F428 HydrophobicContact CZ-CE1 4.37Å; F287-F428 HydrophobicContact CZ-CZ 4.41Å; M329-F428 HydrophobicContact CE-CD1 4.02Å; M329-F428 HydrophobicContact CE-CE1 3.6Å; M329-F428 HydrophobicContact SD-CD1 4.26Å; M329-F428 HydrophobicContact SD-CE1 4.16Å; I344-F428 HydrophobicContact CD1-CE1 4.26Å; I344-F428 HydrophobicContact CD1-CZ 3.78Å; I424-F428 WeakPolarHBondContact O-CB 3.19Å; I424-F428 PolarHBondContact O-N 3.2Å; I424-F428 VanDerWaalsContact O-N 3.08Å; I425-F428 PolarHBondContact O-N 2.82Å; A426-F428 VanDerWaalsContact C-N 3.29Å; A426-F428 PolarHBondContact O-N 3.09Å
429	T	94.6	Very high	94.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-69.2	-170.2	61.8	0	0	0	0	113.2	S326 M329 F330 I425 A426 A433	S326-T429 WeakPolarHBondContact O-CB 3.39Å; M329-T429 HydrophobicContact CB-CG2 4.01Å; M329-T429 HydrophobicContact CG-CG2 4.02Å; M329-T429 HydrophobicContact SD-CG2 4.43Å; F330-T429 HydrophobicContact CB-CG2 4.48Å; I425-T429 WeakPolarHBondContact O-CB 3.5Å; I425-T429 WeakPolarHBondContact O-CG2 3.43Å; I425-T429 PolarHBondContact O-N 3.17Å; I425-T429 PolarHBondContact O-OG1 2.88Å; A426-T429 PolarHBondContact O-N 2.86Å; T429-A433 WeakPolarHBondContact O-CB 3.26Å; T429-A433 PolarHBondContact O-N 2.98Å
430	I	95.2	Very high	94.5	Very high	51 Å²	51	25.2 Å²	25.2	26%	0.262	14%	0.143	S	C	.	.	H	α-helix	trans	-68.8	-47.7	-170.5	-63.8	172.4	0	0	0	112.6	F330 A426 A433 I434	F330-I430 HydrophobicContact CD2-CD1 3.61Å; F330-I430 HydrophobicContact CD2-CG1 3.85Å; F330-I430 HydrophobicContact CE2-CD1 3.56Å; F330-I430 HydrophobicContact CE2-CG1 4.31Å; F330-I430 HydrophobicContact CG-CD1 4.26Å; F330-I430 HydrophobicContact CG-CG1 4.29Å; F330-I430 HydrophobicContact CZ-CD1 4.15Å; A426-I430 HydrophobicContact CB-CD1 4.34Å; A426-I430 PolarHBondContact O-N 2.8Å; I430-A433 WeakPolarHBondContact O-CA 3.39Å; I430-A433 WeakPolarHBondContact O-CB 3.48Å; I430-A433 PolarHBondContact O-N 3.36Å; I430-I434 HydrophobicContact CG2-CD1 3.91Å; I430-I434 HydrophobicContact CG2-CG1 4.39Å; I430-I434 PolarHBondContact O-N 2.99Å
431	V	94.7	Very high	94.8	Very high	23 Å²	23	29.3 Å²	29.3	14%	0.139	16%	0.164	C	C	.	.	H	α-helix	trans	-61.4	-47.7	-175.4	174.5	0	0	0	0	111.3	V265 L399 M403 A426 A433 I434 C435	V265-V431 HydrophobicContact CG1-CB 4.24Å; V265-V431 HydrophobicContact CG1-CG1 3.92Å; V265-V431 HydrophobicContact CG2-CG1 4.42Å; L399-V431 HydrophobicContact CD2-CG1 3.93Å; M403-V431 HydrophobicContact SD-CG2 4.36Å; A426-V431 PolarHBondContact O-N 3.4Å; V431-A433 VanDerWaalsContact C-N 3.3Å; V431-A433 PolarHBondContact O-N 2.93Å; V431-I434 PolarHBondContact O-N 2.83Å; V431-C435 PolarHBondContact O-N 3.28Å; V431-C435 PolarHBondContact O-SG 2.81Å
432	P	95.3	Very high	95.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-58.1	-40.1	170.3	-26.2	34.5	0	0	0	113	A262 R266 L427 I434 C435 Y436	A262-P432 HydrophobicContact CB-CB 4.14Å; R266-P432 HydrophobicContact CB-CG 4.06Å; L427-P432 WeakPolarHBondContact O-CD 3.4Å; L427-P432 WeakPolarHBondContact O-CG 3.43Å; P432-I434 PolarHBondContact O-N 2.86Å; P432-C435 PolarHBondContact O-N 3.04Å; P432-Y436 HydrophobicContact CB-CD2 4.33Å; P432-Y436 HydrophobicContact CB-CE2 3.91Å; P432-Y436 WeakPolarHBondContact O-CD2 3.49Å; P432-Y436 PolarHBondContact O-N 3.12Å
433	A	96.7	Very high	95.2	Very high	9 Å²	9	25 Å²	25	7%	0.074	14%	0.135	C	C	.	.	H	α-helix	trans	-59.6	-44	-179.6	0	0	0	0	0	112.5	A323 L327 T429 I430 V431 C435 Y436 L437	A323-A433 WeakPolarHBondContact CB-O 3.45Å; L327-A433 HydrophobicContact CB-CB 4.26Å; T429-A433 WeakPolarHBondContact O-CB 3.26Å; T429-A433 PolarHBondContact O-N 2.98Å; I430-A433 WeakPolarHBondContact O-CA 3.39Å; I430-A433 WeakPolarHBondContact O-CB 3.48Å; I430-A433 PolarHBondContact O-N 3.36Å; V431-A433 VanDerWaalsContact C-N 3.3Å; V431-A433 PolarHBondContact O-N 2.93Å; A433-C435 VanDerWaalsContact C-N 3.35Å; A433-Y436 PolarHBondContact O-N 2.95Å; A433-L437 WeakPolarHBondContact O-CB 3.33Å; A433-L437 PolarHBondContact O-N 3.47Å
434	I	96.8	Very high	95.3	Very high	92 Å²	92	30.5 Å²	30.5	47%	0.472	16%	0.159	S	C	.	.	H	α-helix	trans	-62.1	-44.7	176.8	-66.7	169.7	0	0	0	110.5	I430 V431 P432 L437 L438	I430-I434 HydrophobicContact CG2-CD1 3.91Å; I430-I434 HydrophobicContact CG2-CG1 4.39Å; I430-I434 PolarHBondContact O-N 2.99Å; V431-I434 PolarHBondContact O-N 2.83Å; P432-I434 PolarHBondContact O-N 2.86Å; I434-L437 PolarHBondContact O-N 3.22Å; I434-L438 HydrophobicContact CG2-CD1 4.1Å; I434-L438 HydrophobicContact CG2-CG 4.47Å; I434-L438 WeakPolarHBondContact O-CG 3.16Å; I434-L438 PolarHBondContact O-N 2.88Å
435	C	95.8	Very high	95.3	Very high	7 Å²	7	39.7 Å²	39.7	5%	0.047	19%	0.193	C	C	.	.	H	α-helix	trans	-62.2	-46.3	-179.6	-64.6	0	0	0	0	112	F258 A262 V431 P432 A433 L437 L438 S439	F258-C435 HydrophobicContact CB-CB 4.49Å; F258-C435 WeakPolarHBondContact O-CB 3.39Å; A262-C435 HydrophobicContact CB-CB 3.74Å; V431-C435 PolarHBondContact O-N 3.28Å; V431-C435 PolarHBondContact O-SG 2.81Å; P432-C435 PolarHBondContact O-N 3.04Å; A433-C435 VanDerWaalsContact C-N 3.35Å; C435-L437 VanDerWaalsContact C-N 3.33Å; C435-L437 PolarHBondContact O-N 3.42Å; C435-L438 PolarHBondContact O-N 3.43Å; C435-S439 WeakPolarHBondContact O-CB 3.25Å; C435-S439 PolarHBondContact O-N 3.27Å
436	Y	97.4	Very high	95.4	Very high	1 Å²	1	44.8 Å²	44.8	0%	0.004	21%	0.212	C	C	.	.	H	α-helix	trans	-64.7	-36.6	176.3	-65.3	-54.5	0	0	0	112.3	A262 N319 L322 H351 P432 A433 S439 A440	A262-Y436 HydrophobicContact CB-CD1 4.12Å; A262-Y436 HydrophobicContact CB-CD2 4.22Å; A262-Y436 HydrophobicContact CB-CE1 3.63Å; A262-Y436 HydrophobicContact CB-CE2 3.72Å; A262-Y436 HydrophobicContact CB-CG 4.38Å; N319-Y436 WeakPolarHBondContact O-CB 3.49Å; N319-Y436 WeakPolarHBondContact OD1-CD1 3.26Å; L322-Y436 HydrophobicContact CB-CD1 4.12Å; L322-Y436 HydrophobicContact CB-CD2 3.72Å; L322-Y436 HydrophobicContact CB-CE2 4.18Å; L322-Y436 HydrophobicContact CB-CG 3.71Å; L322-Y436 HydrophobicContact CD1-CD1 3.93Å; L322-Y436 HydrophobicContact CD1-CE1 3.84Å; L322-Y436 HydrophobicContact CD1-CG 4.39Å; L322-Y436 HydrophobicContact CD2-CE2 4.25Å; H351-Y436 PolarHBondContact ND1-OH 2.85Å; P432-Y436 HydrophobicContact CB-CD2 4.33Å; P432-Y436 HydrophobicContact CB-CE2 3.91Å; P432-Y436 WeakPolarHBondContact O-CD2 3.49Å; P432-Y436 PolarHBondContact O-N 3.12Å; A433-Y436 PolarHBondContact O-N 2.95Å; Y436-S439 PolarHBondContact O-N 3.22Å; Y436-A440 WeakPolarHBondContact O-CB 3.36Å; Y436-A440 PolarHBondContact O-N 3.08Å
437	L	97.5	Very high	95.5	Very high	90 Å²	90	44.3 Å²	44.3	47%	0.471	21%	0.206	S	C	.	.	H	α-helix	trans	-63.5	-46.9	176.2	-179.7	62.5	0	0	0	111.7	A323 A433 I434 C435 S439 A440 I441	A323-L437 HydrophobicContact CB-CB 4.04Å; A433-L437 WeakPolarHBondContact O-CB 3.33Å; A433-L437 PolarHBondContact O-N 3.47Å; I434-L437 PolarHBondContact O-N 3.22Å; C435-L437 VanDerWaalsContact C-N 3.33Å; C435-L437 PolarHBondContact O-N 3.42Å; L437-S439 VanDerWaalsContact C-N 3.32Å; L437-S439 PolarHBondContact O-N 3.43Å; L437-A440 PolarHBondContact O-N 3.21Å; L437-I441 HydrophobicContact CD1-CD1 4.23Å; L437-I441 HydrophobicContact CG-CD1 4.1Å; L437-I441 WeakPolarHBondContact O-CG1 3.46Å; L437-I441 PolarHBondContact O-N 3.33Å
438	L	97.2	Very high	95.4	Very high	68 Å²	68	46.5 Å²	46.5	36%	0.356	22%	0.221	S	C	.	.	H	α-helix	trans	-61.3	-42.8	176.5	-69.3	174.7	0	0	0	111.1	F258 I434 C435 A440 I441 I442	F258-L438 HydrophobicContact CD1-CB 4.32Å; F258-L438 HydrophobicContact CD1-CD1 4.09Å; F258-L438 HydrophobicContact CD2-CB 4.37Å; F258-L438 HydrophobicContact CE1-CB 4.36Å; F258-L438 HydrophobicContact CE1-CD1 3.57Å; F258-L438 HydrophobicContact CE2-CB 4.41Å; F258-L438 HydrophobicContact CG-CB 4.33Å; F258-L438 HydrophobicContact CZ-CB 4.4Å; F258-L438 HydrophobicContact CZ-CD1 3.92Å; I434-L438 HydrophobicContact CG2-CD1 4.1Å; I434-L438 HydrophobicContact CG2-CG 4.47Å; I434-L438 WeakPolarHBondContact O-CG 3.16Å; I434-L438 PolarHBondContact O-N 2.88Å; C435-L438 PolarHBondContact O-N 3.43Å; L438-A440 PolarHBondContact O-N 3.42Å; L438-I441 PolarHBondContact O-N 2.93Å; L438-I442 WeakPolarHBondContact O-CB 3.29Å; L438-I442 VanDerWaalsContact O-CG1 3.26Å; L438-I442 WeakPolarHBondContact O-CG1 3.4Å; L438-I442 PolarHBondContact O-N 2.98Å
439	S	96.6	Very high	95.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-59.3	-44.7	175.3	-169.2	0	0	0	0	112.3	L255 N259 N319 C435 Y436 L437 I441 I442 A443	L255-S439 VanDerWaalsContact CD2-O 3.26Å; L255-S439 WeakPolarHBondContact CD2-O 3.42Å; N259-S439 PolarHBondContact ND2-OG 3.14Å; N319-S439 PolarHBondContact OD1-OG 3.49Å; C435-S439 WeakPolarHBondContact O-CB 3.25Å; C435-S439 PolarHBondContact O-N 3.27Å; Y436-S439 PolarHBondContact O-N 3.22Å; L437-S439 VanDerWaalsContact C-N 3.32Å; L437-S439 PolarHBondContact O-N 3.43Å; S439-I441 PolarHBondContact O-N 3.49Å; S439-I442 PolarHBondContact O-N 2.74Å; S439-A443 VanDerWaalsContact O-CB 3.3Å; S439-A443 WeakPolarHBondContact O-CB 3.46Å; S439-A443 PolarHBondContact O-N 3.31Å
440	A	97.3	Very high	95	Very high	6 Å²	6	48.8 Å²	48.8	5%	0.05	24%	0.236	C	C	.	.	H	α-helix	trans	-61.8	-44.5	176.9	0	0	0	0	0	112.6	N319 A320 Y436 L437 L438 K444	N319-A440 HydrophobicContact CB-CB 3.82Å; A320-A440 HydrophobicContact CB-CB 4.19Å; Y436-A440 WeakPolarHBondContact O-CB 3.36Å; Y436-A440 PolarHBondContact O-N 3.08Å; L437-A440 PolarHBondContact O-N 3.21Å; L438-A440 PolarHBondContact O-N 3.42Å; A440-K444 VanDerWaalsContact O-CB 3.31Å; A440-K444 WeakPolarHBondContact O-CB 3.36Å; A440-K444 PolarHBondContact O-N 3.09Å
441	I	97.2	Very high	94.4	Very high	87 Å²	87	50 Å²	50	45%	0.446	25%	0.246	S	C	.	.	H	α-helix	trans	-63.8	-46.9	179.2	-68	168	0	0	0	110.4	L437 L438 S439 K444 R445	L437-I441 HydrophobicContact CD1-CD1 4.23Å; L437-I441 HydrophobicContact CG-CD1 4.1Å; L437-I441 WeakPolarHBondContact O-CG1 3.46Å; L437-I441 PolarHBondContact O-N 3.33Å; L438-I441 PolarHBondContact O-N 2.93Å; S439-I441 PolarHBondContact O-N 3.49Å; I441-K444 PolarHBondContact O-N 3.49Å; I441-R445 WeakPolarHBondContact O-CB 3.4Å; I441-R445 PolarHBondContact O-N 2.82Å
442	I	96.5	Very high	93.5	Very high	26 Å²	26	55.5 Å²	55.5	13%	0.133	27%	0.269	C	S	.	.	H	α-helix	trans	-64.2	-46.7	-178.2	-68	166.9	0	0	0	110.5	I251 L255 F258 L438 S439 K444 R445 Y446	I251-I442 HydrophobicContact CG2-CG2 3.97Å; L255-I442 HydrophobicContact CD2-CB 3.82Å; L255-I442 HydrophobicContact CD2-CG2 3.69Å; L255-I442 HydrophobicContact CG-CG2 4.2Å; F258-I442 HydrophobicContact CD2-CD1 3.95Å; F258-I442 HydrophobicContact CE2-CD1 3.62Å; L438-I442 WeakPolarHBondContact O-CB 3.29Å; L438-I442 VanDerWaalsContact O-CG1 3.26Å; L438-I442 WeakPolarHBondContact O-CG1 3.4Å; L438-I442 PolarHBondContact O-N 2.98Å; S439-I442 PolarHBondContact O-N 2.74Å; I442-K444 PolarHBondContact O-N 3.24Å; I442-R445 PolarHBondContact O-N 3.01Å; I442-Y446 HydrophobicContact CB-CD2 4.49Å; I442-Y446 HydrophobicContact CG2-CD2 4.31Å; I442-Y446 PolarHBondContact O-N 2.78Å
443	A	95.1	Very high	92.9	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.8	-42.1	179.9	0	0	0	0	0	112	L255 F315 W316 S439 Y447	L255-A443 HydrophobicContact CD1-CB 4.08Å; L255-A443 HydrophobicContact CD2-CB 3.97Å; F315-A443 HydrophobicContact CD1-CB 3.69Å; F315-A443 HydrophobicContact CE1-CB 3.93Å; W316-A443 HydrophobicContact CB-CB 4.1Å; S439-A443 VanDerWaalsContact O-CB 3.3Å; S439-A443 WeakPolarHBondContact O-CB 3.46Å; S439-A443 PolarHBondContact O-N 3.31Å; A443-Y447 WeakPolarHBondContact O-CB 3.11Å
444	K	94.9	Very high	92.1	Very high	135 Å²	135	58.4 Å²	58.4	59%	0.587	28%	0.284	S	S	*	.	H	α-helix	trans	-67.8	-38.6	179.8	-177.5	178.6	178.5	-179.6	0	112.7	W316 A440 I441 I442	W316-K444 HydrophobicContact CB-CB 4.33Å; W316-K444 HydrophobicContact CD2-CB 4.17Å; W316-K444 HydrophobicContact CD2-CD 4.16Å; W316-K444 HydrophobicContact CD2-CG 4.29Å; W316-K444 HydrophobicContact CE3-CD 4.08Å; W316-K444 HydrophobicContact CG-CB 4.05Å; W316-K444 HydrophobicContact CH2-CD 4.08Å; W316-K444 HydrophobicContact CZ2-CD 4.11Å; W316-K444 HydrophobicContact CZ3-CD 4.05Å; A440-K444 VanDerWaalsContact O-CB 3.31Å; A440-K444 WeakPolarHBondContact O-CB 3.36Å; A440-K444 PolarHBondContact O-N 3.09Å; I441-K444 PolarHBondContact O-N 3.49Å; I442-K444 PolarHBondContact O-N 3.24Å
445	R	92.6	Very high	91.2	Very high	194 Å²	194	60.2 Å²	60.2	73%	0.732	29%	0.288	S	S	*	.	H	α-helix	trans	-95.6	-32.2	-168.9	-168.1	165.2	-178.4	124.6	-0.3	114.1	I441 I442	I441-R445 WeakPolarHBondContact O-CB 3.4Å; I441-R445 PolarHBondContact O-N 2.82Å; I442-R445 PolarHBondContact O-N 3.01Å
446	Y	94.1	Very high	90	Very high	131 Å²	131	62.1 Å²	62.1	51%	0.514	30%	0.3	S	S	.	.	H	α-helix	trans	-116.2	-27.6	-169.5	-57.9	-66.8	0	0	0	114	I251 I442 S448	I251-Y446 VanDerWaalsContact CD1-O 3.26Å; I251-Y446 WeakPolarHBondContact CD1-O 3.22Å; I442-Y446 HydrophobicContact CB-CD2 4.49Å; I442-Y446 HydrophobicContact CG2-CD2 4.31Å; I442-Y446 PolarHBondContact O-N 2.78Å; Y446-S448 PolarHBondContact O-N 2.99Å
447	Y	94.6	Very high	88.8	Confident	10 Å²	10	62.6 Å²	62.6	4%	0.039	30%	0.302	C	S	.	.			trans	-79.9	113.2	179.3	-169.3	-97.4	0	0	0	111.4	I251 V252 V312 M361 D364 T365 A443 L449	I251-Y447 HydrophobicContact CG2-CD2 4.14Å; V252-Y447 HydrophobicContact CG2-CD2 3.96Å; V252-Y447 HydrophobicContact CG2-CE2 3.42Å; V252-Y447 VanDerWaalsContact CG2-CE2 3.42Å; V312-Y447 HydrophobicContact CB-CD1 4.44Å; V312-Y447 HydrophobicContact CG1-CD1 3.97Å; V312-Y447 HydrophobicContact CG2-CD1 3.58Å; V312-Y447 HydrophobicContact CG2-CE1 3.57Å; M361-Y447 WeakPolarHBondContact CA-OH 3.28Å; M361-Y447 HydrophobicContact CB-CE2 4.35Å; M361-Y447 WeakPolarHBondContact CB-OH 3.28Å; M361-Y447 HydrophobicContact CE-CD1 3.46Å; M361-Y447 VanDerWaalsContact CE-CD1 3.46Å; M361-Y447 HydrophobicContact CE-CD2 3.76Å; M361-Y447 HydrophobicContact CE-CE1 3.46Å; M361-Y447 VanDerWaalsContact CE-CE1 3.46Å; M361-Y447 HydrophobicContact CE-CE2 3.78Å; M361-Y447 HydrophobicContact CE-CG 3.58Å; M361-Y447 HydrophobicContact CG-CE1 4.1Å; M361-Y447 PolarHBondContact O-OH 3.32Å; M361-Y447 VanDerWaalsContact O-OH 3.13Å; D364-Y447 PolarHBondContact OD2-OH 2.85Å; T365-Y447 HydrophobicContact CG2-CE2 4.47Å; A443-Y447 WeakPolarHBondContact O-CB 3.11Å; Y447-L449 HydrophobicContact CE1-CB 3.74Å; Y447-L449 HydrophobicContact CE2-CB 4.44Å; Y447-L449 HydrophobicContact CE2-CD1 4.34Å
448	S	89.7	Confident	87.5	Confident	46 Å²	46	60.3 Å²	60.3	32%	0.322	29%	0.29	S	S	.	.			trans	-100.6	-11.3	-169.4	68.5	0	0	0	0	114.3	Q248 Y446 T450 N453	Q248-S448 PolarHBondContact NE2-OG 2.77Å; Q248-S448 PolarHBondContact OE1-OG 2.97Å; Y446-S448 PolarHBondContact O-N 2.99Å; S448-T450 PolarHBondContact O-N 3.47Å; S448-N453 PolarHBondContact O-ND2 3.06Å
449	L	89.4	Confident	85.8	Confident	3 Å²	3	61 Å²	61	2%	0.016	29%	0.291	C	S	.	.			trans	-79.2	61.5	-176	-55.7	176.6	0	0	0	112.6	Q248 D364 T365 Y368 Y447	Q248-L449 HydrophobicContact CB-CD1 3.9Å; Q248-L449 HydrophobicContact CB-CG 4.34Å; Q248-L449 HydrophobicContact CG-CD1 4.09Å; Q248-L449 HydrophobicContact CG-CD2 4.39Å; Q248-L449 HydrophobicContact CG-CG 4.01Å; D364-L449 HydrophobicContact CB-CD1 3.97Å; T365-L449 HydrophobicContact CG2-CD1 4.3Å; Y368-L449 HydrophobicContact CD2-CD2 3.61Å; Y368-L449 HydrophobicContact CE2-CD2 4.28Å; Y368-L449 HydrophobicContact CG-CD1 4.25Å; Y368-L449 HydrophobicContact CG-CD2 3.91Å; Y447-L449 HydrophobicContact CE1-CB 3.74Å; Y447-L449 HydrophobicContact CE2-CB 4.44Å; Y447-L449 HydrophobicContact CE2-CD1 4.34Å
450	T	89.5	Confident	84	Confident	46 Å²	46	65 Å²	65	28%	0.282	31%	0.31	S	S	.	.			trans	-64.5	163.8	169.6	67.5	0	0	0	0	110.9	S448 H452 N453 L454	S448-T450 PolarHBondContact O-N 3.47Å; T450-H452 PolarHBondContact O-N 2.63Å; T450-H452 VanDerWaalsContact O-N 3.14Å; T450-N453 PolarHBondContact O-N 3.01Å; T450-N453 VanDerWaalsContact O-N 3.16Å; T450-N453 PolarHBondContact OG1-N 3.46Å; T450-L454 WeakPolarHBondContact O-CB 3.4Å; T450-L454 PolarHBondContact O-N 2.91Å
451	T	82.9	Confident	82.2	Confident	77 Å²	77	67.3 Å²	67.3	47%	0.472	32%	0.321	S	S	.	.	H	α-helix	trans	-53.1	-38.2	178.6	-54.3	0	0	0	0	111.9	C310 K455	C310-T451 PolarHBondContact SG-N 3.01Å; C310-T451 PolarHBondContact SG-OG1 3.44Å; T451-K455 WeakPolarHBondContact O-CB 3.48Å; T451-K455 PolarHBondContact O-N 2.93Å
452	H	77.1	Confident	80.1	Confident	137 Å²	137	66.7 Å²	66.7	63%	0.634	33%	0.329	S	S	*	.	H	α-helix	trans	-67.4	-54.1	177.3	-177.4	72.6	0	0	0	111.7	T450 L454 K455 T456	T450-H452 PolarHBondContact O-N 2.63Å; T450-H452 VanDerWaalsContact O-N 3.14Å; H452-L454 VanDerWaalsContact C-N 3.32Å; H452-L454 PolarHBondContact O-N 3.18Å; H452-K455 WeakPolarHBondContact O-CB 3.48Å; H452-K455 PolarHBondContact O-N 3.19Å; H452-K455 VanDerWaalsContact O-N 3.14Å; H452-T456 PolarHBondContact O-N 3.4Å; H452-T456 VanDerWaalsContact O-N 3.14Å; H452-T456 PolarHBondContact O-OG1 2.91Å
453	N	81.4	Confident	77.6	Confident	70 Å²	70	72.8 Å²	72.8	37%	0.374	36%	0.357	S	S	.	.	H	α-helix	trans	-62.2	-39.7	-177.6	-69.8	-7.9	0	0	0	112.4	S448 T450 K455 T456 V457	S448-N453 PolarHBondContact O-ND2 3.06Å; T450-N453 PolarHBondContact O-N 3.01Å; T450-N453 VanDerWaalsContact O-N 3.16Å; T450-N453 PolarHBondContact OG1-N 3.46Å; N453-K455 VanDerWaalsContact C-N 3.35Å; N453-T456 WeakPolarHBondContact O-CB 3.39Å; N453-T456 PolarHBondContact O-N 3.26Å; N453-V457 WeakPolarHBondContact O-CG2 3.47Å; N453-V457 PolarHBondContact O-N 3.33Å
454	L	81.4	Confident	75	Confident	1 Å²	1	75.5 Å²	75.5	1%	0.005	39%	0.385	C	S	.	.	H	α-helix	trans	-66.1	-38.4	177.3	-173.7	67.5	0	0	0	111.9	P160 K311 D364 D367 T450 H452 T456 V457 M458	P160-L454 HydrophobicContact CB-CD2 3.98Å; P160-L454 HydrophobicContact CG-CD2 3.71Å; P160-L454 HydrophobicContact CG-CG 4.46Å; K311-L454 VanDerWaalsContact NZ-CD2 3.28Å; D364-L454 HydrophobicContact CB-CD1 4Å; D364-L454 HydrophobicContact CB-CD2 4.06Å; D364-L454 WeakPolarHBondContact OD1-CD2 3.4Å; D367-L454 HydrophobicContact CB-CD1 4.34Å; T450-L454 WeakPolarHBondContact O-CB 3.4Å; T450-L454 PolarHBondContact O-N 2.91Å; H452-L454 VanDerWaalsContact C-N 3.32Å; H452-L454 PolarHBondContact O-N 3.18Å; L454-T456 VanDerWaalsContact C-N 3.3Å; L454-T456 PolarHBondContact O-N 2.9Å; L454-V457 PolarHBondContact O-N 2.71Å; L454-M458 WeakPolarHBondContact O-CG 3.34Å; L454-M458 PolarHBondContact O-N 3.33Å
455	K	77.2	Confident	72.8	Confident	129 Å²	129	75.3 Å²	75.3	56%	0.561	40%	0.395	S	S	*	.	H	α-helix	trans	-60.3	-44.1	175.7	-165.4	-173.3	-177.7	-150.2	0	110.7	T451 H452 N453 V457 M458 E459	T451-K455 WeakPolarHBondContact O-CB 3.48Å; T451-K455 PolarHBondContact O-N 2.93Å; H452-K455 WeakPolarHBondContact O-CB 3.48Å; H452-K455 PolarHBondContact O-N 3.19Å; H452-K455 VanDerWaalsContact O-N 3.14Å; N453-K455 VanDerWaalsContact C-N 3.35Å; K455-V457 PolarHBondContact O-N 3.18Å; K455-M458 PolarHBondContact O-N 2.96Å; K455-E459 WeakPolarHBondContact CE-OE1 3.05Å; K455-E459 IonicContact NZ-OE1 2.65Å; K455-E459 PolarHBondContact NZ-OE1 3.27Å; K455-E459 WeakPolarHBondContact O-CB 3.49Å; K455-E459 WeakPolarHBondContact O-CG 3.4Å; K455-E459 PolarHBondContact O-N 2.81Å
456	T	70.8	Confident	71.2	Confident	48 Å²	48	67.7 Å²	67.7	29%	0.294	37%	0.373	S	S	.	.	H	α-helix	trans	-59.7	-45.8	174.9	-51.5	0	0	0	0	112.2	H452 N453 L454 M458 E459 Q460	H452-T456 PolarHBondContact O-N 3.4Å; H452-T456 VanDerWaalsContact O-N 3.14Å; H452-T456 PolarHBondContact O-OG1 2.91Å; N453-T456 WeakPolarHBondContact O-CB 3.39Å; N453-T456 PolarHBondContact O-N 3.26Å; L454-T456 VanDerWaalsContact C-N 3.3Å; L454-T456 PolarHBondContact O-N 2.9Å; T456-M458 VanDerWaalsContact C-N 3.32Å; T456-M458 PolarHBondContact O-N 3.23Å; T456-E459 PolarHBondContact O-N 2.83Å; T456-Q460 WeakPolarHBondContact O-CB 3.45Å; T456-Q460 VanDerWaalsContact O-CG 3.31Å; T456-Q460 WeakPolarHBondContact O-CG 3.43Å; T456-Q460 PolarHBondContact O-N 3.44Å
457	V	71.9	Confident	70.3	Confident	10 Å²	10	62.6 Å²	62.6	6%	0.061	36%	0.355	C	S	.	.	H	α-helix	trans	-58.1	-45.4	176.4	166	0	0	0	0	111	Y368 W371 N453 L454 K455 Q460 L461	Y368-V457 HydrophobicContact CD2-CG2 4.4Å; W371-V457 HydrophobicContact CB-CG1 3.6Å; W371-V457 HydrophobicContact CD2-CG1 4.44Å; W371-V457 HydrophobicContact CD2-CG2 4.2Å; W371-V457 HydrophobicContact CE3-CG2 4.35Å; W371-V457 HydrophobicContact CG-CG1 3.83Å; W371-V457 HydrophobicContact CG-CG2 4.4Å; N453-V457 WeakPolarHBondContact O-CG2 3.47Å; N453-V457 PolarHBondContact O-N 3.33Å; L454-V457 PolarHBondContact O-N 2.71Å; K455-V457 PolarHBondContact O-N 3.18Å; V457-Q460 PolarHBondContact O-N 2.91Å; V457-L461 HydrophobicContact CG1-CD1 4.26Å; V457-L461 WeakPolarHBondContact O-CG 3.29Å; V457-L461 PolarHBondContact O-N 2.91Å
458	M	70.2	Confident	70	Confident	43 Å²	43	65.6 Å²	65.6	21%	0.212	37%	0.368	C	S	.	.	H	α-helix	trans	-67.4	-40.7	179	-71.2	-168	77	0	0	113.1	N158 P160 L454 K455 T456 Q460 L461 A462	N158-M458 HydrophobicContact CB-CE 3.91Å; N158-M458 WeakPolarHBondContact O-CE 3.24Å; P160-M458 HydrophobicContact CG-SD 3.67Å; L454-M458 WeakPolarHBondContact O-CG 3.34Å; L454-M458 PolarHBondContact O-N 3.33Å; K455-M458 PolarHBondContact O-N 2.96Å; T456-M458 VanDerWaalsContact C-N 3.32Å; T456-M458 PolarHBondContact O-N 3.23Å; M458-Q460 VanDerWaalsContact C-N 3.32Å; M458-L461 PolarHBondContact O-N 3.42Å; M458-A462 WeakPolarHBondContact O-CB 3.32Å; M458-A462 PolarHBondContact O-N 3.22Å
459	E	61	Low	70.1	Confident	82 Å²	82	63.4 Å²	63.4	38%	0.383	35%	0.353	S	S	.	.	H	α-helix	trans	-63	-40.5	175.7	-75.1	169.5	-178.9	0	0	111	K455 T456 A462 Q463	K455-E459 WeakPolarHBondContact CE-OE1 3.05Å; K455-E459 IonicContact NZ-OE1 2.65Å; K455-E459 PolarHBondContact NZ-OE1 3.27Å; K455-E459 WeakPolarHBondContact O-CB 3.49Å; K455-E459 WeakPolarHBondContact O-CG 3.4Å; K455-E459 PolarHBondContact O-N 2.81Å; T456-E459 PolarHBondContact O-N 2.83Å; E459-A462 WeakPolarHBondContact O-CB 3.25Å; E459-A462 PolarHBondContact O-N 3.33Å; E459-Q463 WeakPolarHBondContact O-CB 3.29Å; E459-Q463 WeakPolarHBondContact O-CG 3.42Å; E459-Q463 PolarHBondContact O-N 2.99Å
460	Q	58.5	Low	70.3	Confident	84 Å²	84	63.8 Å²	63.8	39%	0.393	36%	0.356	S	S	.	.	H	α-helix	trans	-68.2	-40.9	177	-73.1	178.8	-1.6	0	0	112.8	W371 T456 V457 M458 A462 Q463 G464	W371-Q460 VanDerWaalsContact CE2-OE1 3.24Å; T456-Q460 WeakPolarHBondContact O-CB 3.45Å; T456-Q460 VanDerWaalsContact O-CG 3.31Å; T456-Q460 WeakPolarHBondContact O-CG 3.43Å; T456-Q460 PolarHBondContact O-N 3.44Å; V457-Q460 PolarHBondContact O-N 2.91Å; M458-Q460 VanDerWaalsContact C-N 3.32Å; Q460-A462 PolarHBondContact O-N 3.16Å; Q460-Q463 PolarHBondContact O-N 3.45Å; Q460-Q463 VanDerWaalsContact O-N 3.16Å; Q460-G464 WeakPolarHBondContact O-CA 3.41Å; Q460-G464 PolarHBondContact O-N 2.59Å
461	L	59.7	Low	70.3	Confident	55 Å²	55	65.1 Å²	65.1	29%	0.288	36%	0.361	S	S	.	.	H	α-helix	trans	-59.8	-34.6	171.3	-78.2	172	0	0	0	111.9	E370 W371 V457 M458	E370-L461 HydrophobicContact CB-CD1 4.36Å; E370-L461 HydrophobicContact CB-CD2 4.4Å; E370-L461 HydrophobicContact CG-CD1 4.36Å; E370-L461 HydrophobicContact CG-CD2 3.81Å; W371-L461 HydrophobicContact CB-CD1 4.16Å; W371-L461 HydrophobicContact CB-CD2 4.16Å; W371-L461 HydrophobicContact CB-CG 4.07Å; V457-L461 HydrophobicContact CG1-CD1 4.26Å; V457-L461 WeakPolarHBondContact O-CG 3.29Å; V457-L461 PolarHBondContact O-N 2.91Å; M458-L461 PolarHBondContact O-N 3.42Å
462	A	52.5	Low	70.5	Confident	74 Å²	74	63.8 Å²	63.8	61%	0.612	36%	0.362	S	S	*	.	H	α-helix	trans	-76.3	-22.4	177.1	0	0	0	0	0	113.9	M458 E459 Q460	M458-A462 WeakPolarHBondContact O-CB 3.32Å; M458-A462 PolarHBondContact O-N 3.22Å; E459-A462 WeakPolarHBondContact O-CB 3.25Å; E459-A462 PolarHBondContact O-N 3.33Å; Q460-A462 PolarHBondContact O-N 3.16Å
463	Q	45.5	Very low	70.9	Confident	154 Å²	154	62.6 Å²	62.6	72%	0.72	36%	0.361	S	S	*	.	H	α-helix	trans	-103.1	0.4	-175.2	-73	178.8	0.8	0	0	114.1	E459 Q460	E459-Q463 WeakPolarHBondContact O-CB 3.29Å; E459-Q463 WeakPolarHBondContact O-CG 3.42Å; E459-Q463 PolarHBondContact O-N 2.99Å; Q460-Q463 PolarHBondContact O-N 3.45Å; Q460-Q463 VanDerWaalsContact O-N 3.16Å
464	G	40.6	Very low	71.4	Confident	56 Å²	56	70 Å²	70	58%	0.577	38%	0.384	S	S	*	.			trans	-118.4	7.5	-148.9	0	0	0	0	0	120.3	Q460	Q460-G464 WeakPolarHBondContact O-CA 3.41Å; Q460-G464 PolarHBondContact O-N 2.59Å
465	T	48.6	Very low	71.8	Confident	132 Å²	132	75 Å²	75	81%	0.81	41%	0.41	S	S	*	.			trans	-108.2	113.9	175	50	0	0	0	0	111.2
466	A	58.3	Low	72.6	Confident	33 Å²	33	72.6 Å²	72.6	27%	0.273	40%	0.403	S	S	.	.			trans	-34.7	136.1	163.5	0	0	0	0	0	112	K468 T644 E646 E685	A466-K468 VanDerWaalsContact C-N 3.34Å; A466-K468 PolarHBondContact O-N 2.79Å; A466-T644 HydrophobicContact CB-CG2 3.48Å; A466-T644 VanDerWaalsContact CB-CG2 3.48Å; A466-E646 WeakPolarHBondContact CA-OE1 3.39Å; A466-E685 WeakPolarHBondContact CB-OE1 3.44Å
467	M	75.1	Confident	73.4	Confident	25 Å²	25	73.2 Å²	73.2	12%	0.123	40%	0.402	C	S	.	.			trans	-73.1	89.2	-172.2	-168	-168.1	175.3	0	0	111	I469 V606 Y615 S683 Q695 S697	M467-I469 HydrophobicContact CE-CD1 3.93Å; M467-I469 HydrophobicContact CE-CG1 3.69Å; M467-I469 HydrophobicContact CG-CG1 4.25Å; M467-I469 HydrophobicContact SD-CD1 4.33Å; M467-I469 HydrophobicContact SD-CG1 4.25Å; M467-V606 HydrophobicContact CE-CB 3.77Å; M467-V606 HydrophobicContact CE-CG1 3.75Å; M467-V606 HydrophobicContact CE-CG2 3.67Å; M467-Y615 VanDerWaalsContact CE-CB 3.49Å; M467-Y615 HydrophobicContact CE-CD1 4.13Å; M467-Y615 HydrophobicContact CE-CD2 3.64Å; M467-Y615 HydrophobicContact CE-CE2 4.4Å; M467-Y615 HydrophobicContact CE-CG 3.49Å; M467-Y615 VanDerWaalsContact CE-CG 3.49Å; M467-Y615 HydrophobicContact SD-CD1 3.8Å; M467-Y615 HydrophobicContact SD-CD2 4.35Å; M467-Y615 HydrophobicContact SD-CE1 4.4Å; M467-Y615 HydrophobicContact SD-CG 3.78Å; M467-S683 PolarHBondContact N-OG 3.3Å; M467-Q695 PolarHBondContact O-NE2 3.21Å; M467-Q695 VanDerWaalsContact O-NE2 3.12Å; M467-S697 WeakPolarHBondContact SD-CB 3.37Å; M467-S697 PolarHBondContact SD-OG 3.28Å
468	K	88.1	Confident	74	Confident	72 Å²	72	77 Å²	77	31%	0.313	43%	0.427	S	S	.	.			trans	-78.7	124.7	165	-64.6	-62.1	-174.2	-77.9	0	109	A466 Q477 T644 E685 E689	A466-K468 VanDerWaalsContact C-N 3.34Å; A466-K468 PolarHBondContact O-N 2.79Å; K468-Q477 HydrophobicContact CB-CG 4.09Å; K468-Q477 VanDerWaalsContact O-CG 3.27Å; K468-Q477 WeakPolarHBondContact O-CG 3.2Å; K468-T644 PolarHBondContact NZ-OG1 3.38Å; K468-E685 IonicContact NZ-OE1 3.45Å; K468-E685 PolarHBondContact NZ-OE1 2.83Å; K468-E685 IonicContact NZ-OE2 2.77Å; K468-E685 PolarHBondContact NZ-OE2 2.56Å; K468-E689 WeakPolarHBondContact CA-OE2 3.43Å; K468-E689 HydrophobicContact CD-CB 4.16Å; K468-E689 HydrophobicContact CD-CG 4.18Å
469	I	92.8	Very high	74.8	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	43%	0.429	C	S	.	.			trans	-99.1	-50.6	179.9	-64.9	175.6	0	0	0	109.8	M467 Q477 L482 V606 F617 E689	M467-I469 HydrophobicContact CE-CD1 3.93Å; M467-I469 HydrophobicContact CE-CG1 3.69Å; M467-I469 HydrophobicContact CG-CG1 4.25Å; M467-I469 HydrophobicContact SD-CD1 4.33Å; M467-I469 HydrophobicContact SD-CG1 4.25Å; I469-Q477 PolarHBondContact O-N 3.18Å; I469-L482 HydrophobicContact CG2-CD1 3.82Å; I469-L482 HydrophobicContact CG2-CD2 3.83Å; I469-V606 HydrophobicContact CD1-CG2 4.12Å; I469-V606 HydrophobicContact CG1-CG2 4.43Å; I469-V606 HydrophobicContact CG2-CG2 4.46Å; I469-F617 HydrophobicContact CD1-CB 3.58Å; I469-F617 HydrophobicContact CD1-CD1 3.97Å; I469-F617 HydrophobicContact CD1-CD2 3.59Å; I469-F617 HydrophobicContact CD1-CE2 4.26Å; I469-F617 HydrophobicContact CD1-CG 3.42Å; I469-F617 VanDerWaalsContact CD1-CG 3.42Å; I469-E689 PolarHBondContact N-OE2 3.34Å
470	S	93	Very high	76.3	Confident	12 Å²	12	73.1 Å²	73.1	8%	0.084	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	153.2	177.1	66.5	0	0	0	0	112.7	G472 Q477 E689 K690	S470-G472 WeakPolarHBondContact CB-O 3.21Å; S470-G472 PolarHBondContact OG-O 2.78Å; S470-Q477 PolarHBondContact O-NE2 2.92Å; S470-E689 VanDerWaalsContact CB-OE1 3.24Å; S470-E689 WeakPolarHBondContact CB-OE1 3.47Å; S470-E689 PolarHBondContact N-OE1 3.24Å; S470-E689 WeakPolarHBondContact OG-CG 3.34Å; S470-E689 PolarHBondContact OG-OE1 3.24Å; S470-K690 VanDerWaalsContact CB-NZ 3.33Å; S470-K690 WeakPolarHBondContact OG-CE 3.5Å; S470-K690 PolarHBondContact OG-NZ 3.02Å
471	D	90.2	Very high	78.1	Confident	73 Å²	73	73.1 Å²	73.1	39%	0.39	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	86.3	165.2	174.9	22.9	0	0	0	107.8	L475	D471-L475 HydrophobicContact CB-CB 3.84Å; D471-L475 PolarHBondContact N-O 3.27Å; D471-L475 WeakPolarHBondContact O-CB 3.49Å; D471-L475 PolarHBondContact O-N 2.88Å
472	G	87	Confident	79.9	Confident	49 Å²	49	72.3 Å²	72.3	51%	0.505	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	64	-153.7	-169.2	0	0	0	0	0	112.9	S470 K690	S470-G472 WeakPolarHBondContact CB-O 3.21Å; S470-G472 PolarHBondContact OG-O 2.78Å; G472-K690 PolarHBondContact O-NZ 3.24Å
473	N	84.7	Confident	82.1	Confident	113 Å²	113	70.9 Å²	70.9	60%	0.604	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-30	179.5	-171	64.7	0	0	0	113.1
474	W	92.2	Very high	84.6	Confident	224 Å²	224	64.7 Å²	64.7	85%	0.848	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-19.8	-160.1	-50.8	112.5	0	0	0	113.8
475	L	89.8	Confident	87.3	Confident	106 Å²	106	62 Å²	62	56%	0.555	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.6	168.8	-173.1	-57.6	175	0	0	0	110.7	D471	D471-L475 HydrophobicContact CB-CB 3.84Å; D471-L475 PolarHBondContact N-O 3.27Å; D471-L475 WeakPolarHBondContact O-CB 3.49Å; D471-L475 PolarHBondContact O-N 2.88Å
476	I	93.7	Very high	89.7	Confident	80 Å²	80	57.7 Å²	57.7	41%	0.41	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	149.2	174.1	-63.6	165.8	0	0	0	106.2	L480 L482	I476-L480 HydrophobicContact CG2-CB 3.79Å; I476-L482 HydrophobicContact CB-CD1 4.49Å; I476-L482 HydrophobicContact CD1-CD1 3.68Å; I476-L482 HydrophobicContact CD1-CG 3.99Å; I476-L482 HydrophobicContact CG1-CD1 3.76Å; I476-L482 HydrophobicContact CG1-CG 4.44Å; I476-L482 HydrophobicContact CG2-CD1 3.91Å; I476-L482 HydrophobicContact CG2-CG 4.01Å
477	Q	88.3	Confident	91.6	Very high	61 Å²	61	56.8 Å²	56.8	29%	0.285	30%	0.301	S	S	.	.			trans	-55.9	142.2	174.9	-71.3	-61.9	-24.6	0	0	111.1	K468 I469 S470 G479 L480	K468-Q477 HydrophobicContact CB-CG 4.09Å; K468-Q477 VanDerWaalsContact O-CG 3.27Å; K468-Q477 WeakPolarHBondContact O-CG 3.2Å; I469-Q477 PolarHBondContact O-N 3.18Å; S470-Q477 PolarHBondContact O-NE2 2.92Å; Q477-G479 PolarHBondContact O-N 3.32Å; Q477-L480 HydrophobicContact CB-CD1 3.71Å; Q477-L480 HydrophobicContact CB-CG 3.96Å; Q477-L480 HydrophobicContact CG-CD1 4.45Å; Q477-L480 PolarHBondContact O-N 3.14Å
478	P	84.8	Confident	92.7	Very high	88 Å²	88	56.5 Å²	56.5	57%	0.571	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	134.7	179	-25.8	35	0	0	0	112.4	L480 N610	P478-L480 VanDerWaalsContact C-N 3.31Å; P478-L480 PolarHBondContact O-N 2.92Å; P478-N610 PolarHBondContact O-ND2 2.68Å
479	G	85.8	Confident	93.2	Very high	26 Å²	26	57.4 Å²	57.4	27%	0.268	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	-4.4	177.7	0	0	0	0	0	115.3	Q477 T609	Q477-G479 PolarHBondContact O-N 3.32Å; G479-T609 WeakPolarHBondContact CA-OG1 3.14Å; G479-T609 WeakPolarHBondContact O-CB 3.26Å; G479-T609 PolarHBondContact O-N 2.59Å; G479-T609 PolarHBondContact O-OG1 2.94Å
480	L	92.3	Very high	93.4	Very high	18 Å²	18	62.2 Å²	62.2	9%	0.094	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	127.3	174.7	-51.4	-168.7	0	0	0	111.6	I476 Q477 P478 L482 V606 Q607 D608	I476-L480 HydrophobicContact CG2-CB 3.79Å; Q477-L480 HydrophobicContact CB-CD1 3.71Å; Q477-L480 HydrophobicContact CB-CG 3.96Å; Q477-L480 HydrophobicContact CG-CD1 4.45Å; Q477-L480 PolarHBondContact O-N 3.14Å; P478-L480 VanDerWaalsContact C-N 3.31Å; P478-L480 PolarHBondContact O-N 2.92Å; L480-L482 HydrophobicContact CB-CD2 4.43Å; L480-V606 HydrophobicContact CB-CG1 4.09Å; L480-V606 HydrophobicContact CD1-CG1 3.98Å; L480-V606 HydrophobicContact CD2-CG1 4.09Å; L480-V606 HydrophobicContact CG-CG1 4.28Å; L480-Q607 WeakPolarHBondContact CA-O 3.3Å; L480-D608 HydrophobicContact CD2-CB 3.52Å; L480-D608 WeakPolarHBondContact CD2-OD1 3.48Å
481	N	96	Very high	93.7	Very high	85 Å²	85	62.6 Å²	62.6	46%	0.455	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	124.4	168.1	-63.4	-38.4	0	0	0	109	Q607 T609	N481-Q607 HydrophobicContact CB-CB 4.25Å; N481-Q607 PolarHBondContact N-O 2.97Å; N481-Q607 PolarHBondContact ND2-OE1 2.99Å; N481-Q607 PolarHBondContact O-N 3.33Å; N481-T609 WeakPolarHBondContact ND2-CG2 3.42Å
482	L	97.9	Very high	94.1	Very high	37 Å²	37	62.4 Å²	62.4	19%	0.194	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	135.9	-178.9	-50	-177.2	0	0	0	111	I469 I476 L480 Y605 V606	I469-L482 HydrophobicContact CG2-CD1 3.82Å; I469-L482 HydrophobicContact CG2-CD2 3.83Å; I476-L482 HydrophobicContact CB-CD1 4.49Å; I476-L482 HydrophobicContact CD1-CD1 3.68Å; I476-L482 HydrophobicContact CD1-CG 3.99Å; I476-L482 HydrophobicContact CG1-CD1 3.76Å; I476-L482 HydrophobicContact CG1-CG 4.44Å; I476-L482 HydrophobicContact CG2-CD1 3.91Å; I476-L482 HydrophobicContact CG2-CG 4.01Å; L480-L482 HydrophobicContact CB-CD2 4.43Å; L482-Y605 WeakPolarHBondContact CA-O 3.48Å; L482-V606 HydrophobicContact CD2-CB 4.01Å; L482-V606 HydrophobicContact CD2-CG1 3.77Å; L482-V606 HydrophobicContact CD2-CG2 3.62Å
483	I	98.4	Very high	94.6	Very high	45 Å²	45	65.9 Å²	65.9	23%	0.231	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	148.5	164	54.6	166	0	0	0	108.5	P504 P517 F519 G604 Y605	I483-P504 HydrophobicContact CB-CB 4.34Å; I483-P517 HydrophobicContact CD1-CB 3.78Å; I483-P517 HydrophobicContact CD1-CG 3.91Å; I483-F519 HydrophobicContact CB-CE2 4.43Å; I483-F519 HydrophobicContact CB-CZ 4.39Å; I483-F519 HydrophobicContact CD1-CE2 4.32Å; I483-F519 HydrophobicContact CD1-CZ 4.01Å; I483-F519 HydrophobicContact CG1-CE2 4.28Å; I483-F519 HydrophobicContact CG1-CZ 3.84Å; I483-F519 WeakPolarHBondContact O-CZ 3.12Å; I483-G604 WeakPolarHBondContact O-CA 3.48Å; I483-Y605 HydrophobicContact CD1-CD1 4.09Å; I483-Y605 HydrophobicContact CD1-CG 4.45Å; I483-Y605 HydrophobicContact CG1-CD1 4.05Å; I483-Y605 HydrophobicContact CG1-CG 4.39Å; I483-Y605 PolarHBondContact N-O 3.09Å; I483-Y605 VanDerWaalsContact N-O 3.11Å; I483-Y605 PolarHBondContact O-N 2.72Å
484	H	98.6	Very high	95.3	Very high	23 Å²	23	63 Å²	63	11%	0.106	31%	0.312	C	S	.	.			trans	-137.6	149.8	-170.1	-52.7	-69.7	0	0	0	110.4	L486 P504 K601 N603 F617	H484-L486 HydrophobicContact CB-CD2 3.7Å; H484-L486 HydrophobicContact CB-CG 4.2Å; H484-L486 PolarHBondContact O-N 3.02Å; H484-P504 WeakPolarHBondContact O-CA 3.48Å; H484-P504 VanDerWaalsContact O-CB 3.3Å; H484-P504 WeakPolarHBondContact O-CB 3.26Å; H484-K601 PolarHBondContact CE1-O 3.22Å; H484-N603 PolarHBondContact ND1-O 2.8Å; H484-F617 AromaticContact CE1-CZ 3.84Å; H484-F617 AromaticContact ND1-CZ 3.92Å
485	P	98.1	Very high	95.4	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.309	C	S	.	.			trans	-69.5	115.2	164.4	29.6	-32.9	0	0	0	109.2	A502 F519 L521 W584 N603	P485-A502 HydrophobicContact CB-CB 3.5Å; P485-F519 HydrophobicContact CB-CB 4.34Å; P485-F519 HydrophobicContact CB-CD2 4.03Å; P485-F519 HydrophobicContact CB-CG 4.29Å; P485-L521 HydrophobicContact CB-CD1 4.32Å; P485-W584 HydrophobicContact CB-CH2 3.89Å; P485-W584 HydrophobicContact CB-CZ2 3.78Å; P485-W584 HydrophobicContact CB-CZ3 4.38Å; P485-W584 HydrophobicContact CG-CH2 4.48Å; P485-W584 HydrophobicContact CG-CZ2 3.91Å; P485-N603 VanDerWaalsContact CD-OD1 3.27Å; P485-N603 WeakPolarHBondContact CD-OD1 3.41Å; P485-N603 WeakPolarHBondContact CG-OD1 3.41Å
486	L	97.9	Very high	95.8	Very high	42 Å²	42	56.4 Å²	56.4	22%	0.22	29%	0.294	C	S	.	.			trans	-117.1	-23.5	-174.1	-62.2	-169.7	0	0	0	114.2	H484 A503 P504 W584 V600 K601	H484-L486 HydrophobicContact CB-CD2 3.7Å; H484-L486 HydrophobicContact CB-CG 4.2Å; H484-L486 PolarHBondContact O-N 3.02Å; L486-A503 PolarHBondContact N-O 3.11Å; L486-P504 WeakPolarHBondContact CD1-O 3.25Å; L486-W584 VanDerWaalsContact O-CB 3.25Å; L486-W584 WeakPolarHBondContact O-CB 3.46Å; L486-V600 HydrophobicContact CD2-CG2 3.52Å; L486-K601 HydrophobicContact CD2-CG 3.8Å
487	Q	98.4	Very high	96.1	Very high	14 Å²	14	54.7 Å²	54.7	7%	0.065	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	129.9	-177.7	-176.7	177.8	75.3	0	0	109.8	F489 A502 A503 D506	Q487-F489 PolarHBondContact O-N 2.79Å; Q487-A502 CarbonylContact O-C 3.49Å; Q487-A502 VanDerWaalsContact O-CA 3.31Å; Q487-A502 WeakPolarHBondContact O-CA 3.21Å; Q487-A503 PolarHBondContact N-O 2.85Å; Q487-A503 VanDerWaalsContact N-O 3.16Å; Q487-A503 PolarHBondContact O-N 3.13Å; Q487-D506 PolarHBondContact NE2-OD1 2.99Å; Q487-D506 PolarHBondContact OE1-OD1 3.17Å
488	V	98.5	Very high	96.6	Very high	18 Å²	18	51.8 Å²	51.8	11%	0.109	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	118.1	169.9	177	0	0	0	0	108.6	V491 V500 V578 K580 W584	V488-V491 HydrophobicContact CG1-CG2 3.54Å; V488-V500 HydrophobicContact CB-CG1 4.49Å; V488-V500 HydrophobicContact CG1-CG1 4.05Å; V488-V500 HydrophobicContact CG2-CG1 3.93Å; V488-V578 HydrophobicContact CG2-CG1 3.59Å; V488-K580 HydrophobicContact CB-CG 4.25Å; V488-K580 HydrophobicContact CG1-CG 4.21Å; V488-K580 HydrophobicContact CG2-CG 4.27Å; V488-W584 HydrophobicContact CG2-CE3 4.02Å; V488-W584 HydrophobicContact CG2-CZ3 3.68Å
489	F	98.2	Very high	97.2	Very high	91 Å²	91	47.6 Å²	47.6	40%	0.399	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-48	171	175.4	-108	0	0	0	110.4	Q487 Y501 V507 Q513	Q487-F489 PolarHBondContact O-N 2.79Å; F489-Y501 PolarHBondContact N-O 3.08Å; F489-V507 HydrophobicContact CB-CG2 4.21Å; F489-V507 HydrophobicContact CD2-CG2 3.75Å; F489-V507 HydrophobicContact CG-CG2 4.38Å; F489-Q513 HydrophobicContact CE2-CG 3.95Å
490	E	98.2	Very high	97.8	Very high	101 Å²	101	46.4 Å²	46.4	47%	0.472	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	152.9	-176.3	-175.6	164.4	99.3	0	0	111.1	Y501	E490-Y501 HydrophobicContact CB-CD2 3.93Å; E490-Y501 HydrophobicContact CG-CD2 4.23Å; E490-Y501 PolarHBondContact N-O 2.9Å; E490-Y501 PolarHBondContact O-N 2.95Å
491	V	98.6	Very high	98.1	Very high	20 Å²	20	48 Å²	48	12%	0.121	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	127.1	175.7	-179.3	0	0	0	0	108.1	V488 M498 V499 V500 A567	V488-V491 HydrophobicContact CG1-CG2 3.54Å; V491-M498 HydrophobicContact CG1-CG 4.14Å; V491-M498 HydrophobicContact CG1-SD 4.45Å; V491-V499 CarbonylContact C-O 3.57Å; V491-V499 WeakPolarHBondContact CA-O 3.36Å; V491-V500 HydrophobicContact CG1-CG2 4.34Å; V491-V500 HydrophobicContact CG2-CG1 4.42Å; V491-V500 HydrophobicContact CG2-CG2 4.24Å; V491-A567 HydrophobicContact CB-CB 4.4Å; V491-A567 HydrophobicContact CG1-CB 3.71Å; V491-A567 HydrophobicContact CG2-CB 3.87Å
492	E	98.5	Very high	98.3	Very high	69 Å²	69	44 Å²	44	32%	0.322	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	139.1	-177.1	-168.7	-172.6	160.9	0	0	109.2	Q494 V499 Y501	E492-Q494 HydrophobicContact CG-CG 4.14Å; E492-Q494 WeakPolarHBondContact OE1-CG 3.38Å; E492-Q494 PolarHBondContact OE1-NE2 2.83Å; E492-Q494 PolarHBondContact OE2-NE2 3Å; E492-V499 HydrophobicContact CB-CB 4.33Å; E492-V499 PolarHBondContact N-O 2.88Å; E492-V499 PolarHBondContact O-N 3.42Å; E492-Y501 HydrophobicContact CB-CE2 4.27Å; E492-Y501 PolarHBondContact OE2-OH 3.49Å
493	Q	98.3	Very high	98.3	Very high	123 Å²	123	42.2 Å²	42.2	58%	0.575	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	122.8	168	176.7	176.6	-17.9	0	0	107.9	D495 I560	Q493-D495 PolarHBondContact NE2-O 2.84Å; Q493-D495 VanDerWaalsContact NE2-O 3.1Å; Q493-I560 HydrophobicContact CG-CD1 3.8Å
494	Q	97.7	Very high	98.3	Very high	53 Å²	53	41.1 Å²	41.1	25%	0.248	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	101	175.8	-68.2	-177.8	-9	0	0	107.5	E492 N496 E497 V499	E492-Q494 HydrophobicContact CG-CG 4.14Å; E492-Q494 WeakPolarHBondContact OE1-CG 3.38Å; E492-Q494 PolarHBondContact OE1-NE2 2.83Å; E492-Q494 PolarHBondContact OE2-NE2 3Å; Q494-N496 PolarHBondContact O-N 2.81Å; Q494-N496 VanDerWaalsContact O-N 3.13Å; Q494-E497 PolarHBondContact N-O 3.48Å; Q494-E497 WeakPolarHBondContact O-CA 3.09Å; Q494-E497 WeakPolarHBondContact O-CB 3.45Å; Q494-E497 PolarHBondContact O-N 2.75Å; Q494-V499 HydrophobicContact CG-CG2 4.17Å
495	D	96.4	Very high	98.2	Very high	146 Å²	146	43.9 Å²	43.9	78%	0.781	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	-113.4	-173.7	-58.7	-49.8	0	0	0	112.8	Q493	Q493-D495 PolarHBondContact NE2-O 2.84Å; Q493-D495 VanDerWaalsContact NE2-O 3.1Å
496	N	97.6	Very high	98.2	Very high	45 Å²	45	46.7 Å²	46.7	24%	0.241	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	21.6	176.9	66.3	-22.6	0	0	0	112.6	Q494 Q554 V558 F569	Q494-N496 PolarHBondContact O-N 2.81Å; Q494-N496 VanDerWaalsContact O-N 3.13Å; N496-Q554 PolarHBondContact ND2-O 2.94Å; N496-V558 HydrophobicContact CB-CG2 3.88Å; N496-F569 VanDerWaalsContact O-CE2 3.28Å; N496-F569 WeakPolarHBondContact O-CE2 3.2Å
497	E	98.7	Very high	98.2	Very high	44 Å²	44	45 Å²	45	21%	0.206	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	151.6	176.4	-54.8	-171.6	164.3	0	0	111.1	Q494 R522 F523 F524 I560	Q494-E497 PolarHBondContact N-O 3.48Å; Q494-E497 WeakPolarHBondContact O-CA 3.09Å; Q494-E497 WeakPolarHBondContact O-CB 3.45Å; Q494-E497 PolarHBondContact O-N 2.75Å; E497-R522 WeakPolarHBondContact OE2-CD 3.27Å; E497-R522 WeakPolarHBondContact OE2-CG 3.14Å; E497-R522 IonicContact OE2-CZ 2.68Å; E497-R522 IonicContact OE2-NE 2.89Å; E497-R522 IonicContact OE2-NH1 3.2Å; E497-R522 PolarHBondContact OE2-NH1 2.82Å; E497-F523 WeakPolarHBondContact CA-O 3.33Å; E497-F524 HydrophobicContact CB-CB 4.43Å; E497-F524 HydrophobicContact CG-CB 3.72Å; E497-I560 WeakPolarHBondContact O-CD1 3.43Å
498	M	98.8	Very high	98.1	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	126.4	173.6	-177.9	-177.8	78.2	0	0	109.3	V491 V500 F523 I560 A567 F569	V491-M498 HydrophobicContact CG1-CG 4.14Å; V491-M498 HydrophobicContact CG1-SD 4.45Å; M498-V500 HydrophobicContact CE-CG2 4.01Å; M498-V500 HydrophobicContact CG-CG2 4.36Å; M498-F523 HydrophobicContact CB-CB 4.29Å; M498-F523 HydrophobicContact CE-CB 4.26Å; M498-F523 HydrophobicContact CE-CD2 3.4Å; M498-F523 HydrophobicContact CE-CE2 3.85Å; M498-F523 HydrophobicContact CE-CG 3.85Å; M498-F523 PolarHBondContact N-O 2.8Å; M498-F523 WeakPolarHBondContact O-CD2 3.39Å; M498-F523 PolarHBondContact O-N 3.01Å; M498-I560 HydrophobicContact CB-CD1 4.26Å; M498-I560 HydrophobicContact CB-CG2 4.19Å; M498-I560 HydrophobicContact CG-CG2 4.22Å; M498-I560 HydrophobicContact SD-CG2 4.22Å; M498-A567 HydrophobicContact CE-CB 4.23Å; M498-A567 HydrophobicContact SD-CB 3.7Å; M498-F569 HydrophobicContact CB-CB 4.16Å; M498-F569 HydrophobicContact CB-CD2 3.87Å; M498-F569 HydrophobicContact CB-CG 4.44Å; M498-F569 HydrophobicContact CE-CB 3.76Å; M498-F569 HydrophobicContact SD-CB 4.13Å
499	V	98.9	Very high	98	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	132.1	175.6	-178.5	0	0	0	0	109.3	V491 E492 Q494 Y501 T520 L521 R522	V491-V499 CarbonylContact C-O 3.57Å; V491-V499 WeakPolarHBondContact CA-O 3.36Å; E492-V499 HydrophobicContact CB-CB 4.33Å; E492-V499 PolarHBondContact N-O 2.88Å; E492-V499 PolarHBondContact O-N 3.42Å; Q494-V499 HydrophobicContact CG-CG2 4.17Å; V499-Y501 HydrophobicContact CG1-CD2 4.5Å; V499-Y501 HydrophobicContact CG1-CE1 4.16Å; V499-Y501 HydrophobicContact CG1-CE2 4Å; V499-T520 HydrophobicContact CG1-CG2 3.68Å; V499-L521 CarbonylContact C-O 3.55Å; V499-L521 VanDerWaalsContact CA-O 3.32Å; V499-L521 WeakPolarHBondContact CA-O 3.43Å; V499-R522 HydrophobicContact CG2-CG 4.5Å
500	V	98.8	Very high	98	Very high	0 Å²	0	62 Å²	62	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	118.1	177.4	179.9	0	0	0	0	108.7	V488 V491 M498 L521 F523 V578	V488-V500 HydrophobicContact CB-CG1 4.49Å; V488-V500 HydrophobicContact CG1-CG1 4.05Å; V488-V500 HydrophobicContact CG2-CG1 3.93Å; V491-V500 HydrophobicContact CG1-CG2 4.34Å; V491-V500 HydrophobicContact CG2-CG1 4.42Å; V491-V500 HydrophobicContact CG2-CG2 4.24Å; M498-V500 HydrophobicContact CE-CG2 4.01Å; M498-V500 HydrophobicContact CG-CG2 4.36Å; V500-L521 HydrophobicContact CB-CB 4.28Å; V500-L521 PolarHBondContact N-O 2.83Å; V500-L521 PolarHBondContact O-N 2.88Å; V500-F523 HydrophobicContact CB-CE2 4.24Å; V500-F523 HydrophobicContact CG2-CD2 4.26Å; V500-F523 HydrophobicContact CG2-CE2 3.82Å; V500-V578 HydrophobicContact CG1-CG1 4.36Å; V500-V578 HydrophobicContact CG2-CG2 4.39Å
501	Y	98.7	Very high	97.9	Very high	52 Å²	52	61.5 Å²	61.5	20%	0.204	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	116.5	172.7	-58	-79.7	0	0	0	108.8	F489 E490 E492 V499 L518 F519 T520	F489-Y501 PolarHBondContact N-O 3.08Å; E490-Y501 HydrophobicContact CB-CD2 3.93Å; E490-Y501 HydrophobicContact CG-CD2 4.23Å; E490-Y501 PolarHBondContact N-O 2.9Å; E490-Y501 PolarHBondContact O-N 2.95Å; E492-Y501 HydrophobicContact CB-CE2 4.27Å; E492-Y501 PolarHBondContact OE2-OH 3.49Å; V499-Y501 HydrophobicContact CG1-CD2 4.5Å; V499-Y501 HydrophobicContact CG1-CE1 4.16Å; V499-Y501 HydrophobicContact CG1-CE2 4Å; Y501-L518 HydrophobicContact CD1-CD2 4.27Å; Y501-F519 WeakPolarHBondContact CA-O 3.36Å; Y501-T520 HydrophobicContact CD1-CG2 4.18Å; Y501-T520 HydrophobicContact CE1-CG2 3.92Å
502	A	98.6	Very high	97.8	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	121.6	-173.2	0	0	0	0	0	112	P485 Q487 F519 L521 W584	P485-A502 HydrophobicContact CB-CB 3.5Å; Q487-A502 CarbonylContact O-C 3.49Å; Q487-A502 VanDerWaalsContact O-CA 3.31Å; Q487-A502 WeakPolarHBondContact O-CA 3.21Å; A502-F519 HydrophobicContact CB-CB 4.45Å; A502-F519 PolarHBondContact N-O 2.95Å; A502-F519 PolarHBondContact O-N 2.93Å; A502-L521 HydrophobicContact CB-CD1 3.69Å; A502-W584 HydrophobicContact CB-CE3 4.49Å; A502-W584 HydrophobicContact CB-CH2 3.71Å; A502-W584 HydrophobicContact CB-CZ3 3.55Å
503	A	98.2	Very high	97.8	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	148.6	-179.3	0	0	0	0	0	112.1	L486 Q487 R505 V507 L518	L486-A503 PolarHBondContact N-O 3.11Å; Q487-A503 PolarHBondContact N-O 2.85Å; Q487-A503 VanDerWaalsContact N-O 3.16Å; Q487-A503 PolarHBondContact O-N 3.13Å; A503-R505 WeakPolarHBondContact CB-O 3.46Å; A503-R505 PolarHBondContact O-N 3.19Å; A503-V507 HydrophobicContact CB-CB 4.24Å; A503-V507 HydrophobicContact CB-CG1 3.72Å; A503-V507 HydrophobicContact CB-CG2 3.45Å; A503-V507 VanDerWaalsContact CB-CG2 3.45Å; A503-L518 HydrophobicContact CB-CD1 4.11Å
504	P	98.1	Very high	97.7	Very high	23 Å²	23	65.9 Å²	65.9	15%	0.149	30%	0.301	C	S	.	.	S	Bend	trans	-84.6	8.9	176.9	36.4	-37.5	0	0	0	114.7	I483 H484 L486 T516 P517 F519	I483-P504 HydrophobicContact CB-CB 4.34Å; H484-P504 WeakPolarHBondContact O-CA 3.48Å; H484-P504 VanDerWaalsContact O-CB 3.3Å; H484-P504 WeakPolarHBondContact O-CB 3.26Å; L486-P504 WeakPolarHBondContact CD1-O 3.25Å; P504-T516 WeakPolarHBondContact CG-OG1 3.36Å; P504-P517 WeakPolarHBondContact CD-O 3.34Å; P504-P517 HydrophobicContact CG-CB 4.2Å; P504-P517 HydrophobicContact CG-CG 4.39Å; P504-P517 WeakPolarHBondContact CG-O 3.41Å; P504-F519 HydrophobicContact CB-CE2 4.45Å
505	R	96.8	Very high	97.6	Very high	81 Å²	81	70.4 Å²	70.4	31%	0.306	33%	0.327	S	S	.	.	S	Bend	trans	-156.3	176.8	176.5	67.4	-178	-170.7	-155.7	-1.3	109.7	A503 V507 W512 L514 D515	A503-R505 WeakPolarHBondContact CB-O 3.46Å; A503-R505 PolarHBondContact O-N 3.19Å; R505-V507 HydrophobicContact CG-CG1 4.03Å; R505-V507 PolarHBondContact O-N 3.19Å; R505-W512 PolarHBondContact NH2-O 2.86Å; R505-L514 PolarHBondContact NH2-O 2.86Å; R505-D515 PolarHBondContact NH1-O 3.05Å; R505-D515 VanDerWaalsContact NH1-O 3.11Å; R505-D515 PolarHBondContact NH2-O 3.26Å
506	D	97.9	Very high	97.7	Very high	59 Å²	59	65.4 Å²	65.4	32%	0.316	30%	0.302	S	S	.	.			trans	-69.1	120.2	172.3	-170.9	7.6	0	0	0	110.9	Q487 R508 W512	Q487-D506 PolarHBondContact NE2-OD1 2.99Å; Q487-D506 PolarHBondContact OE1-OD1 3.17Å; D506-R508 WeakPolarHBondContact OD1-CB 3.16Å; D506-R508 VanDerWaalsContact OD1-CG 3.26Å; D506-R508 WeakPolarHBondContact OD1-CG 3.27Å; D506-R508 IonicContact OD1-CZ 3.84Å; D506-R508 PolarHBondContact OD1-N 3.2Å; D506-R508 IonicContact OD1-NE 2.71Å; D506-R508 PolarHBondContact OD1-NE 3.13Å; D506-R508 IonicContact OD1-NH2 3.21Å; D506-R508 IonicContact OD2-CZ 3.31Å; D506-R508 VanDerWaalsContact OD2-CZ 3.31Å; D506-R508 IonicContact OD2-NE 3.17Å; D506-R508 PolarHBondContact OD2-NE 2.94Å; D506-R508 VanDerWaalsContact OD2-NE 3.15Å; D506-R508 IonicContact OD2-NH2 2.66Å; D506-R508 PolarHBondContact OD2-NH2 3.05Å; D506-W512 WeakPolarHBondContact O-CB 3.05Å
507	V	97.6	Very high	97.7	Very high	5 Å²	5	65.8 Å²	65.8	3%	0.03	31%	0.307	C	S	.	.			trans	-125.1	20.9	-177.8	-64.5	0	0	0	0	112.2	F489 A503 R505 E509 W512 Q513 T516	F489-V507 HydrophobicContact CB-CG2 4.21Å; F489-V507 HydrophobicContact CD2-CG2 3.75Å; F489-V507 HydrophobicContact CG-CG2 4.38Å; A503-V507 HydrophobicContact CB-CB 4.24Å; A503-V507 HydrophobicContact CB-CG1 3.72Å; A503-V507 HydrophobicContact CB-CG2 3.45Å; A503-V507 VanDerWaalsContact CB-CG2 3.45Å; R505-V507 HydrophobicContact CG-CG1 4.03Å; R505-V507 PolarHBondContact O-N 3.19Å; V507-E509 PolarHBondContact O-N 2.99Å; V507-W512 HydrophobicContact CG1-CB 4.35Å; V507-Q513 HydrophobicContact CB-CG 4.23Å; V507-Q513 WeakPolarHBondContact O-CG 3.43Å; V507-Q513 PolarHBondContact O-NE2 3.13Å; V507-T516 HydrophobicContact CG1-CG2 4.48Å
508	R	96.1	Very high	97.7	Very high	157 Å²	157	67 Å²	67	59%	0.592	31%	0.314	S	S	*	.	S	Bend	trans	-59.4	-31.1	174.3	-72	177.3	-68.6	-176.1	-1.6	112.8	D506	D506-R508 WeakPolarHBondContact OD1-CB 3.16Å; D506-R508 VanDerWaalsContact OD1-CG 3.26Å; D506-R508 WeakPolarHBondContact OD1-CG 3.27Å; D506-R508 IonicContact OD1-CZ 3.84Å; D506-R508 PolarHBondContact OD1-N 3.2Å; D506-R508 IonicContact OD1-NE 2.71Å; D506-R508 PolarHBondContact OD1-NE 3.13Å; D506-R508 IonicContact OD1-NH2 3.21Å; D506-R508 IonicContact OD2-CZ 3.31Å; D506-R508 VanDerWaalsContact OD2-CZ 3.31Å; D506-R508 IonicContact OD2-NE 3.17Å; D506-R508 PolarHBondContact OD2-NE 2.94Å; D506-R508 VanDerWaalsContact OD2-NE 3.15Å; D506-R508 IonicContact OD2-NH2 2.66Å; D506-R508 PolarHBondContact OD2-NH2 3.05Å
509	E	97.2	Very high	97.7	Very high	112 Å²	112	67 Å²	67	52%	0.523	31%	0.314	S	S	.	.	S	Bend	trans	-94.6	137.4	177.2	-53.3	175.9	-99.9	0	0	111.2	V507 T511 W512	V507-E509 PolarHBondContact O-N 2.99Å; E509-T511 HydrophobicContact CB-CG2 4.1Å; E509-T511 PolarHBondContact O-N 2.76Å; E509-T511 VanDerWaalsContact O-N 3.07Å; E509-W512 PolarHBondContact O-N 3.04Å; E509-W512 PolarHBondContact OE1-NE1 2.68Å
510	R	97.3	Very high	97.7	Very high	212 Å²	212	67.9 Å²	67.9	80%	0.8	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-55.3	-30.2	179.4	-69.1	-167.7	-68.6	-101.5	0.4	114	W512 Q513	R510-W512 PolarHBondContact O-N 3.25Å; R510-Q513 PolarHBondContact O-N 2.76Å
511	T	96.6	Very high	97.7	Very high	91 Å²	91	67.9 Å²	67.9	56%	0.558	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-63.5	-21.6	178	-166.7	0	0	0	0	113.4	E509	E509-T511 HydrophobicContact CB-CG2 4.1Å; E509-T511 PolarHBondContact O-N 2.76Å; E509-T511 VanDerWaalsContact O-N 3.07Å
512	W	97.4	Very high	97.7	Very high	116 Å²	116	68 Å²	68	44%	0.439	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-99.5	-5.1	-179.5	-59.5	123.6	0	0	0	113.4	R505 D506 V507 E509 R510 L514	R505-W512 PolarHBondContact NH2-O 2.86Å; D506-W512 WeakPolarHBondContact O-CB 3.05Å; V507-W512 HydrophobicContact CG1-CB 4.35Å; E509-W512 PolarHBondContact O-N 3.04Å; E509-W512 PolarHBondContact OE1-NE1 2.68Å; R510-W512 PolarHBondContact O-N 3.25Å; W512-L514 PolarHBondContact O-N 2.68Å; W512-L514 VanDerWaalsContact O-N 3.09Å
513	Q	97.7	Very high	97.7	Very high	84 Å²	84	68 Å²	68	39%	0.393	32%	0.32	S	S	.	.	S	Bend	trans	-82.1	28	-178.2	-64.1	170.5	-0.5	0	0	112.9	F489 V507 R510	F489-Q513 HydrophobicContact CE2-CG 3.95Å; V507-Q513 HydrophobicContact CB-CG 4.23Å; V507-Q513 WeakPolarHBondContact O-CG 3.43Å; V507-Q513 PolarHBondContact O-NE2 3.13Å; R510-Q513 PolarHBondContact O-N 2.76Å
514	L	96.9	Very high	97.7	Very high	103 Å²	103	69 Å²	69	54%	0.539	32%	0.324	S	S	.	.	S	Bend	trans	-154.1	163.4	177.4	61.3	107.2	0	0	0	109.6	R505 W512 T516	R505-L514 PolarHBondContact NH2-O 2.86Å; W512-L514 PolarHBondContact O-N 2.68Å; W512-L514 VanDerWaalsContact O-N 3.09Å; L514-T516 VanDerWaalsContact C-N 3.31Å; L514-T516 PolarHBondContact O-N 3.19Å
515	D	96.4	Very high	97.8	Very high	149 Å²	149	68.1 Å²	68.1	80%	0.797	32%	0.319	S	S	*	.	S	Bend	trans	50.8	47.2	-175.4	-70.2	-29	0	0	0	113.3	R505	R505-D515 PolarHBondContact NH1-O 3.05Å; R505-D515 VanDerWaalsContact NH1-O 3.11Å; R505-D515 PolarHBondContact NH2-O 3.26Å
516	T	97	Very high	97.8	Very high	41 Å²	41	64.3 Å²	64.3	25%	0.252	30%	0.304	S	S	.	.	S	Bend	trans	-146.6	145.1	175.2	-179.2	0	0	0	0	110.3	P504 V507 L514	P504-T516 WeakPolarHBondContact CG-OG1 3.36Å; V507-T516 HydrophobicContact CG1-CG2 4.48Å; L514-T516 VanDerWaalsContact C-N 3.31Å; L514-T516 PolarHBondContact O-N 3.19Å
517	P	97.9	Very high	97.9	Very high	52 Å²	52	62.4 Å²	62.4	34%	0.338	29%	0.294	S	S	.	.			trans	-60.7	164.7	161.3	-17.8	30.8	0	0	0	111.2	I483 P504	I483-P517 HydrophobicContact CD1-CB 3.78Å; I483-P517 HydrophobicContact CD1-CG 3.91Å; P504-P517 WeakPolarHBondContact CD-O 3.34Å; P504-P517 HydrophobicContact CG-CB 4.2Å; P504-P517 HydrophobicContact CG-CG 4.39Å; P504-P517 WeakPolarHBondContact CG-O 3.41Å
518	L	98.4	Very high	97.9	Very high	70 Å²	70	66.3 Å²	66.3	37%	0.366	31%	0.312	S	S	.	.			trans	-145.1	131.6	174.1	-166.6	71.3	0	0	0	108.4	Y501 A503	Y501-L518 HydrophobicContact CD1-CD2 4.27Å; A503-L518 HydrophobicContact CB-CD1 4.11Å
519	F	98.8	Very high	98.1	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	139.9	171.8	-68.8	-86	0	0	0	109.7	I483 P485 Y501 A502 P504 L521 I535 E536 M616	I483-F519 HydrophobicContact CB-CE2 4.43Å; I483-F519 HydrophobicContact CB-CZ 4.39Å; I483-F519 HydrophobicContact CD1-CE2 4.32Å; I483-F519 HydrophobicContact CD1-CZ 4.01Å; I483-F519 HydrophobicContact CG1-CE2 4.28Å; I483-F519 HydrophobicContact CG1-CZ 3.84Å; I483-F519 WeakPolarHBondContact O-CZ 3.12Å; P485-F519 HydrophobicContact CB-CB 4.34Å; P485-F519 HydrophobicContact CB-CD2 4.03Å; P485-F519 HydrophobicContact CB-CG 4.29Å; Y501-F519 WeakPolarHBondContact CA-O 3.36Å; A502-F519 HydrophobicContact CB-CB 4.45Å; A502-F519 PolarHBondContact N-O 2.95Å; A502-F519 PolarHBondContact O-N 2.93Å; P504-F519 HydrophobicContact CB-CE2 4.45Å; F519-L521 HydrophobicContact CB-CD1 3.87Å; F519-I535 HydrophobicContact CD1-CG2 4Å; F519-E536 WeakPolarHBondContact CA-O 3.18Å; F519-M616 HydrophobicContact CD1-CE 4.36Å; F519-M616 HydrophobicContact CE1-CE 4.1Å; F519-M616 HydrophobicContact CE1-SD 4.26Å
520	T	98.9	Very high	98.1	Very high	18 Å²	18	53.5 Å²	53.5	11%	0.11	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	123.1	166.2	-49.8	0	0	0	0	107.8	V499 Y501 E536	V499-T520 HydrophobicContact CG1-CG2 3.68Å; Y501-T520 HydrophobicContact CD1-CG2 4.18Å; Y501-T520 HydrophobicContact CE1-CG2 3.92Å; T520-E536 PolarHBondContact N-O 2.83Å; T520-E536 VanDerWaalsContact N-O 3.13Å; T520-E536 WeakPolarHBondContact O-CG 3.37Å; T520-E536 PolarHBondContact O-N 3.4Å
521	L	98.8	Very high	98.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	119.8	175.3	-68	82.7	0	0	0	108.5	P485 V499 V500 A502 F519 F523 R534 I535 W584	P485-L521 HydrophobicContact CB-CD1 4.32Å; V499-L521 CarbonylContact C-O 3.55Å; V499-L521 VanDerWaalsContact CA-O 3.32Å; V499-L521 WeakPolarHBondContact CA-O 3.43Å; V500-L521 HydrophobicContact CB-CB 4.28Å; V500-L521 PolarHBondContact N-O 2.83Å; V500-L521 PolarHBondContact O-N 2.88Å; A502-L521 HydrophobicContact CB-CD1 3.69Å; F519-L521 HydrophobicContact CB-CD1 3.87Å; L521-F523 HydrophobicContact CB-CE2 3.78Å; L521-F523 HydrophobicContact CB-CZ 4.13Å; L521-F523 HydrophobicContact CD2-CE2 4.48Å; L521-F523 HydrophobicContact CD2-CZ 4.08Å; L521-R534 CarbonylContact C-O 3.53Å; L521-R534 VanDerWaalsContact CA-O 3.29Å; L521-R534 WeakPolarHBondContact CA-O 3.35Å; L521-I535 HydrophobicContact CD2-CD1 4.48Å; L521-I535 HydrophobicContact CD2-CG1 4.21Å; L521-I535 HydrophobicContact CG-CG1 4.19Å; L521-I535 HydrophobicContact CG-CG2 4.17Å; L521-W584 HydrophobicContact CD1-CH2 4.3Å; L521-W584 HydrophobicContact CD2-CH2 3.92Å; L521-W584 HydrophobicContact CD2-CZ2 4.03Å
522	R	98.9	Very high	98.3	Very high	54 Å²	54	39.1 Å²	39.1	20%	0.204	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	125	176.2	180	179.9	-66	-73.9	-4.6	109.6	E497 V499 F524 R534	E497-R522 WeakPolarHBondContact OE2-CD 3.27Å; E497-R522 WeakPolarHBondContact OE2-CG 3.14Å; E497-R522 IonicContact OE2-CZ 2.68Å; E497-R522 IonicContact OE2-NE 2.89Å; E497-R522 IonicContact OE2-NH1 3.2Å; E497-R522 PolarHBondContact OE2-NH1 2.82Å; V499-R522 HydrophobicContact CG2-CG 4.5Å; R522-F524 HydrophobicContact CG-CD1 4.36Å; R522-R534 HydrophobicContact CB-CB 4.3Å; R522-R534 PolarHBondContact N-O 2.92Å; R522-R534 PolarHBondContact O-N 2.79Å
523	F	98.9	Very high	98.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	123.8	176.3	-57.9	-89.7	0	0	0	108.9	E497 M498 V500 L521 G532 V533 F569 A576 V578 L586	E497-F523 WeakPolarHBondContact CA-O 3.33Å; M498-F523 HydrophobicContact CB-CB 4.29Å; M498-F523 HydrophobicContact CE-CB 4.26Å; M498-F523 HydrophobicContact CE-CD2 3.4Å; M498-F523 HydrophobicContact CE-CE2 3.85Å; M498-F523 HydrophobicContact CE-CG 3.85Å; M498-F523 PolarHBondContact N-O 2.8Å; M498-F523 WeakPolarHBondContact O-CD2 3.39Å; M498-F523 PolarHBondContact O-N 3.01Å; V500-F523 HydrophobicContact CB-CE2 4.24Å; V500-F523 HydrophobicContact CG2-CD2 4.26Å; V500-F523 HydrophobicContact CG2-CE2 3.82Å; L521-F523 HydrophobicContact CB-CE2 3.78Å; L521-F523 HydrophobicContact CB-CZ 4.13Å; L521-F523 HydrophobicContact CD2-CE2 4.48Å; L521-F523 HydrophobicContact CD2-CZ 4.08Å; F523-G532 WeakPolarHBondContact CA-O 3.44Å; F523-V533 HydrophobicContact CD1-CG1 4.33Å; F523-V533 HydrophobicContact CD1-CG2 3.86Å; F523-V533 HydrophobicContact CE1-CB 4.46Å; F523-V533 HydrophobicContact CE1-CG1 3.86Å; F523-V533 HydrophobicContact CE1-CG2 3.92Å; F523-V533 HydrophobicContact CZ-CG1 4.47Å; F523-F569 HydrophobicContact CB-CB 3.87Å; F523-F569 HydrophobicContact CB-CD1 4.09Å; F523-F569 HydrophobicContact CB-CD2 4.18Å; F523-F569 HydrophobicContact CB-CG 3.77Å; F523-F569 WeakPolarHBondContact O-CE2 3.39Å; F523-A576 HydrophobicContact CD1-CB 3.73Å; F523-A576 HydrophobicContact CE1-CB 3.91Å; F523-V578 HydrophobicContact CE2-CG2 3.88Å; F523-V578 HydrophobicContact CZ-CG2 3.6Å; F523-L586 HydrophobicContact CE1-CD1 3.67Å; F523-L586 HydrophobicContact CZ-CD1 3.84Å
524	F	98.8	Very high	98.5	Very high	21 Å²	21	31.8 Å²	31.8	9%	0.092	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	170.7	-176.1	65.5	-79	0	0	0	110.1	E497 R522 G532 R534 F569 E704 F706	E497-F524 HydrophobicContact CB-CB 4.43Å; E497-F524 HydrophobicContact CG-CB 3.72Å; R522-F524 HydrophobicContact CG-CD1 4.36Å; F524-G532 PolarHBondContact N-O 2.96Å; F524-G532 VanDerWaalsContact N-O 3.09Å; F524-G532 PolarHBondContact O-N 2.88Å; F524-R534 HydrophobicContact CE1-CB 4.39Å; F524-F569 VanDerWaalsContact CA-CZ 3.44Å; F524-F569 WeakPolarHBondContact O-CE1 3.47Å; F524-E704 HydrophobicContact CZ-CG 4.42Å; F524-F706 HydrophobicContact CE1-CE1 4.49Å; F524-F706 AromaticContact CE2-CE1 3.56Å; F524-F706 HydrophobicContact CE2-CE1 3.56Å; F524-F706 HydrophobicContact CE2-CZ 4.03Å; F524-F706 AromaticContact CZ-CE1 3.51Å; F524-F706 HydrophobicContact CZ-CE1 3.51Å; F524-F706 AromaticContact CZ-CZ 3.79Å; F524-F706 HydrophobicContact CZ-CZ 3.79Å
525	S	98.8	Very high	98.5	Very high	6 Å²	6	26.9 Å²	26.9	4%	0.042	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	110.4	-178.9	-168.5	0	0	0	0	111.3	Q527 I530 V556 S571	S525-Q527 PolarHBondContact OG-O 2.76Å; S525-I530 WeakPolarHBondContact CA-O 3.5Å; S525-I530 WeakPolarHBondContact CB-O 3.23Å; S525-I530 PolarHBondContact OG-O 2.99Å; S525-V556 VanDerWaalsContact O-CG2 3.3Å; S525-V556 WeakPolarHBondContact O-CG2 3.26Å; S525-S571 WeakPolarHBondContact OG-CB 3.46Å; S525-S571 PolarHBondContact OG-OG 2.88Å
526	P	98.7	Very high	98.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-19.3	179.7	33.1	-37	0	0	0	113.2	I530 I552 L553 F706 F723	P526-I530 HydrophobicContact CG-CB 4.2Å; P526-I530 HydrophobicContact CG-CG2 3.75Å; P526-I552 HydrophobicContact CB-CB 4.25Å; P526-I552 HydrophobicContact CB-CG1 4.07Å; P526-I552 HydrophobicContact CB-CG2 3.99Å; P526-L553 WeakPolarHBondContact O-CB 3.48Å; P526-L553 PolarHBondContact O-N 2.94Å; P526-F706 HydrophobicContact CG-CD1 3.9Å; P526-F706 HydrophobicContact CG-CE1 3.78Å; P526-F723 HydrophobicContact CB-CD2 4.22Å; P526-F723 HydrophobicContact CB-CE2 3.5Å; P526-F723 HydrophobicContact CB-CZ 3.98Å; P526-F723 HydrophobicContact CG-CD2 4.23Å; P526-F723 HydrophobicContact CG-CE1 4.32Å; P526-F723 HydrophobicContact CG-CE2 3.58Å; P526-F723 HydrophobicContact CG-CZ 3.62Å
527	Q	98.7	Very high	98.7	Very high	20 Å²	20	19.3 Å²	19.3	9%	0.093	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	158.6	179.9	-66.2	-67.9	-32.9	0	0	108.7	S525 G529 I530 N551 S571 F723	S525-Q527 PolarHBondContact OG-O 2.76Å; Q527-G529 PolarHBondContact O-N 2.74Å; Q527-I530 HydrophobicContact CB-CB 4.36Å; Q527-I530 HydrophobicContact CB-CD1 3.88Å; Q527-I530 HydrophobicContact CB-CG1 4.1Å; Q527-I530 HydrophobicContact CG-CD1 4.29Å; Q527-I530 PolarHBondContact O-N 3.49Å; Q527-I530 VanDerWaalsContact O-N 3.14Å; Q527-N551 PolarHBondContact NE2-O 3.45Å; Q527-S571 PolarHBondContact O-OG 3.13Å; Q527-F723 HydrophobicContact CG-CB 4.29Å; Q527-F723 HydrophobicContact CG-CD2 4.09Å; Q527-F723 HydrophobicContact CG-CG 4.49Å
528	E	98.7	Very high	98.7	Very high	87 Å²	87	22.9 Å²	22.9	41%	0.407	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	133.7	171.2	-172.7	-78.7	160.7	0	0	111.4	I530 G572 R719	E528-I530 PolarHBondContact O-N 3.13Å; E528-G572 VanDerWaalsContact OE1-CA 3.25Å; E528-G572 WeakPolarHBondContact OE1-CA 3.34Å; E528-R719 WeakPolarHBondContact O-CD 3.47Å; E528-R719 PolarHBondContact O-NE 2.96Å; E528-R719 IonicContact OE1-NH2 3.16Å; E528-R719 IonicContact OE2-CZ 2.61Å; E528-R719 IonicContact OE2-NE 3.11Å; E528-R719 PolarHBondContact OE2-NE 2.86Å; E528-R719 VanDerWaalsContact OE2-NE 3.08Å; E528-R719 IonicContact OE2-NH2 3.87Å; E528-R719 PolarHBondContact OE2-NH2 3.01Å
529	G	98.6	Very high	98.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	12.1	177.3	0	0	0	0	0	114.3	Q527 S571 L574 D709	Q527-G529 PolarHBondContact O-N 2.74Å; G529-S571 PolarHBondContact N-OG 3.39Å; G529-S571 VanDerWaalsContact N-OG 3.14Å; G529-L574 WeakPolarHBondContact O-CD2 3.36Å; G529-D709 WeakPolarHBondContact O-CB 3.47Å; G529-D709 PolarHBondContact O-N 3.4Å
530	I	98.9	Very high	98.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	122.5	170.9	-55.5	-170.8	0	0	0	108.8	S525 P526 Q527 E528 F706 V707 I708 R719 F723	S525-I530 WeakPolarHBondContact CA-O 3.5Å; S525-I530 WeakPolarHBondContact CB-O 3.23Å; S525-I530 PolarHBondContact OG-O 2.99Å; P526-I530 HydrophobicContact CG-CB 4.2Å; P526-I530 HydrophobicContact CG-CG2 3.75Å; Q527-I530 HydrophobicContact CB-CB 4.36Å; Q527-I530 HydrophobicContact CB-CD1 3.88Å; Q527-I530 HydrophobicContact CB-CG1 4.1Å; Q527-I530 HydrophobicContact CG-CD1 4.29Å; Q527-I530 PolarHBondContact O-N 3.49Å; Q527-I530 VanDerWaalsContact O-N 3.14Å; E528-I530 PolarHBondContact O-N 3.13Å; I530-F706 HydrophobicContact CG2-CB 3.86Å; I530-F706 HydrophobicContact CG2-CD1 3.95Å; I530-F706 HydrophobicContact CG2-CG 4.28Å; I530-V707 WeakPolarHBondContact CA-O 3.4Å; I530-I708 HydrophobicContact CD1-CD1 4.39Å; I530-I708 HydrophobicContact CD1-CG1 4.07Å; I530-I708 HydrophobicContact CD1-CG2 4.22Å; I530-I708 HydrophobicContact CG1-CB 4.44Å; I530-I708 HydrophobicContact CG1-CG1 4.13Å; I530-I708 HydrophobicContact CG1-CG2 4.14Å; I530-I708 HydrophobicContact CG2-CG1 4.05Å; I530-R719 HydrophobicContact CD1-CB 4.22Å; I530-R719 HydrophobicContact CG1-CB 4.39Å; I530-F723 HydrophobicContact CD1-CB 3.74Å; I530-F723 HydrophobicContact CD1-CD1 3.92Å; I530-F723 HydrophobicContact CD1-CG 3.88Å
531	V	98.9	Very high	98.3	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	114	173.7	178.3	0	0	0	0	108.8	V533 F569 L574 A576 F706 V707	V531-V533 HydrophobicContact CG1-CG2 4.36Å; V531-F569 HydrophobicContact CG1-CD1 3.8Å; V531-F569 HydrophobicContact CG1-CE1 4.11Å; V531-F569 HydrophobicContact CG2-CD1 4.19Å; V531-F569 HydrophobicContact CG2-CE1 4.24Å; V531-L574 HydrophobicContact CB-CD2 4.15Å; V531-L574 HydrophobicContact CG2-CB 4.45Å; V531-L574 HydrophobicContact CG2-CD2 3.87Å; V531-L574 HydrophobicContact CG2-CG 3.9Å; V531-A576 HydrophobicContact CG1-CB 3.91Å; V531-F706 WeakPolarHBondContact O-CA 3.49Å; V531-V707 PolarHBondContact N-O 3.45Å; V531-V707 PolarHBondContact O-N 2.86Å
532	G	98.9	Very high	97.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	136.8	169.6	0	0	0	0	0	110.9	F523 F524 Y705	F523-G532 WeakPolarHBondContact CA-O 3.44Å; F524-G532 PolarHBondContact N-O 2.96Å; F524-G532 VanDerWaalsContact N-O 3.09Å; F524-G532 PolarHBondContact O-N 2.88Å; G532-Y705 WeakPolarHBondContact CA-O 3.22Å
533	V	98.9	Very high	97.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	113.6	178.4	-176.2	0	0	0	0	107.6	F523 V531 I535 F588 E704 Y705	F523-V533 HydrophobicContact CD1-CG1 4.33Å; F523-V533 HydrophobicContact CD1-CG2 3.86Å; F523-V533 HydrophobicContact CE1-CB 4.46Å; F523-V533 HydrophobicContact CE1-CG1 3.86Å; F523-V533 HydrophobicContact CE1-CG2 3.92Å; F523-V533 HydrophobicContact CZ-CG1 4.47Å; V531-V533 HydrophobicContact CG1-CG2 4.36Å; V533-I535 HydrophobicContact CG1-CD1 4.42Å; V533-I535 HydrophobicContact CG1-CG1 4.01Å; V533-F588 HydrophobicContact CG2-CE1 3.79Å; V533-F588 HydrophobicContact CG2-CZ 3.85Å; V533-E704 VanDerWaalsContact O-CA 3.31Å; V533-E704 WeakPolarHBondContact O-CA 3.42Å; V533-Y705 HydrophobicContact CB-CD1 4.33Å; V533-Y705 HydrophobicContact CB-CD2 4.28Å; V533-Y705 HydrophobicContact CB-CE1 3.94Å; V533-Y705 HydrophobicContact CB-CE2 3.86Å; V533-Y705 HydrophobicContact CG1-CE1 3.87Å; V533-Y705 HydrophobicContact CG1-CE2 4.37Å; V533-Y705 HydrophobicContact CG2-CE2 3.97Å; V533-Y705 PolarHBondContact N-O 3.4Å; V533-Y705 PolarHBondContact O-N 2.93Å
534	R	98.8	Very high	97.5	Very high	47 Å²	47	44.1 Å²	44.1	18%	0.177	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	116.3	173.8	178.2	-177.4	-179.8	82.2	9.5	108.9	L521 R522 F524 E536 Y702 L703 E704	L521-R534 CarbonylContact C-O 3.53Å; L521-R534 VanDerWaalsContact CA-O 3.29Å; L521-R534 WeakPolarHBondContact CA-O 3.35Å; R522-R534 HydrophobicContact CB-CB 4.3Å; R522-R534 PolarHBondContact N-O 2.92Å; R522-R534 PolarHBondContact O-N 2.79Å; F524-R534 HydrophobicContact CE1-CB 4.39Å; R534-E536 IonicContact CZ-OE1 2.98Å; R534-E536 IonicContact NE-OE1 2.93Å; R534-E536 PolarHBondContact NE-OE1 2.88Å; R534-E536 IonicContact NH2-OE1 3.86Å; R534-Y702 HydrophobicContact CG-CD2 4.46Å; R534-Y702 VanDerWaalsContact CZ-CD2 3.5Å; R534-L703 WeakPolarHBondContact CA-O 3.44Å; R534-E704 HydrophobicContact CB-CB 4.43Å; R534-E704 HydrophobicContact CB-CG 4.14Å; R534-E704 IonicContact NH1-OE2 3.24Å; R534-E704 PolarHBondContact NH1-OE2 2.65Å; R534-E704 VanDerWaalsContact NH1-OE2 3.11Å
535	I	98.8	Very high	97.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	122.1	175.9	-48	177.7	0	0	0	107.1	F519 L521 V533 N603 M616 Y702 L703 Y705	F519-I535 HydrophobicContact CD1-CG2 4Å; L521-I535 HydrophobicContact CD2-CD1 4.48Å; L521-I535 HydrophobicContact CD2-CG1 4.21Å; L521-I535 HydrophobicContact CG-CG1 4.19Å; L521-I535 HydrophobicContact CG-CG2 4.17Å; V533-I535 HydrophobicContact CG1-CD1 4.42Å; V533-I535 HydrophobicContact CG1-CG1 4.01Å; I535-N603 HydrophobicContact CD1-CB 4.21Å; I535-M616 HydrophobicContact CB-CE 3.85Å; I535-M616 HydrophobicContact CG2-CE 3.47Å; I535-M616 VanDerWaalsContact CG2-CE 3.47Å; I535-M616 WeakPolarHBondContact O-CE 3.29Å; I535-Y702 CarbonylContact O-C 3.46Å; I535-Y702 VanDerWaalsContact O-CA 3.22Å; I535-Y702 WeakPolarHBondContact O-CA 3.2Å; I535-L703 PolarHBondContact N-O 3.23Å; I535-L703 PolarHBondContact O-N 3.45Å; I535-Y705 HydrophobicContact CD1-CE1 4.16Å
536	E	98.4	Very high	97.3	Very high	7 Å²	7	44.7 Å²	44.7	3%	0.033	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	148.4	-173.3	50.4	175.7	59.9	0	0	112.4	F519 T520 R534 Q539	F519-E536 WeakPolarHBondContact CA-O 3.18Å; T520-E536 PolarHBondContact N-O 2.83Å; T520-E536 VanDerWaalsContact N-O 3.13Å; T520-E536 WeakPolarHBondContact O-CG 3.37Å; T520-E536 PolarHBondContact O-N 3.4Å; R534-E536 IonicContact CZ-OE1 2.98Å; R534-E536 IonicContact NE-OE1 2.93Å; R534-E536 PolarHBondContact NE-OE1 2.88Å; R534-E536 IonicContact NH2-OE1 3.86Å; E536-Q539 WeakPolarHBondContact OE2-CG 3.27Å; E536-Q539 PolarHBondContact OE2-OE1 2.91Å
537	H	98.5	Very high	97.3	Very high	24 Å²	24	49.5 Å²	49.5	11%	0.111	27%	0.274	C	S	.	.	S	Bend	trans	-105.9	-82.8	175.4	179.1	-120	0	0	0	109.6	Y605 E701	H537-Y605 HydrophobicContact CB-CD2 4.03Å; H537-Y605 HydrophobicContact CB-CE2 4.38Å; H537-Y605 AromaticContact CE1-CZ 4Å; H537-Y605 AromaticContact ND1-CD2 3.93Å; H537-Y605 AromaticContact ND1-CE2 3.61Å; H537-Y605 AromaticContact ND1-CZ 3.73Å; H537-E701 IonicContact CG-OE2 3.06Å; H537-E701 PolarHBondContact N-O 2.85Å; H537-E701 IonicContact ND1-OE2 2.59Å; H537-E701 PolarHBondContact ND1-OE2 2.91Å
538	F	97.9	Very high	97.3	Very high	126 Å²	126	49.1 Å²	49.1	55%	0.553	27%	0.272	S	S	*	.			trans	-97.7	120	176	-62.3	-33.3	0	0	0	113	G540 E701	F538-G540 VanDerWaalsContact C-N 3.28Å; F538-G540 PolarHBondContact O-N 3.09Å; F538-E701 HydrophobicContact CB-CB 4.46Å; F538-E701 HydrophobicContact CB-CG 4.19Å; F538-E701 WeakPolarHBondContact CD2-OE2 3.4Å; F538-E701 PolarHBondContact N-OE2 2.91Å; F538-E701 WeakPolarHBondContact O-CB 3.37Å
539	Q	97.4	Very high	97.2	Very high	146 Å²	146	46.5 Å²	46.5	68%	0.682	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-7	174.7	-64.6	175.5	109.3	0	0	113.8	E536	E536-Q539 WeakPolarHBondContact OE2-CG 3.27Å; E536-Q539 PolarHBondContact OE2-OE1 2.91Å
540	G	96.9	Very high	97.2	Very high	81 Å²	81	47.8 Å²	47.8	84%	0.835	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	0.9	-177.6	0	0	0	0	0	115.4	F538	F538-G540 VanDerWaalsContact C-N 3.28Å; F538-G540 PolarHBondContact O-N 3.09Å
541	A	94.2	Very high	97.2	Very high	54 Å²	54	51.8 Å²	51.8	45%	0.446	29%	0.291	S	S	.	.	S	Bend	trans	-71.9	149.5	179.3	0	0	0	0	0	112.1	N543 E701	A541-N543 PolarHBondContact O-N 2.8Å; A541-E701 HydrophobicContact CB-CB 4.23Å; A541-E701 HydrophobicContact CB-CG 3.9Å
542	L	89.9	Confident	97.2	Very high	163 Å²	163	55.5 Å²	55.5	85%	0.853	31%	0.31	S	S	*	.			trans	-66	124.9	167.3	-64.9	177	0	0	0	108.7
543	N	94.2	Very high	97.1	Very high	63 Å²	63	59.3 Å²	59.3	34%	0.337	33%	0.33	S	S	.	.			trans	-124.5	56	-179.4	-173.6	26.7	0	0	0	110.6	A541 Y702 K901	A541-N543 PolarHBondContact O-N 2.8Å; N543-Y702 WeakPolarHBondContact ND2-CE1 3.48Å; N543-Y702 PolarHBondContact ND2-OH 3.38Å; N543-Y702 PolarHBondContact OD1-OH 3.17Å; N543-K901 PolarHBondContact OD1-NZ 3.03Å
544	N	95.5	Very high	97	Very high	82 Å²	82	66 Å²	66	44%	0.439	36%	0.361	S	S	.	.			trans	-61.7	154.3	179.1	-65	-9.2	0	0	0	111	D898 K901	N544-D898 HydrophobicContact CB-CB 4.49Å; N544-K901 PolarHBondContact O-NZ 3.15Å
545	G	94	Very high	96.8	Very high	20 Å²	20	70 Å²	70	21%	0.206	39%	0.386	C	S	.	.	S	Bend	trans	-70.1	-172.2	171.8	0	0	0	0	0	113.3	D898	G545-D898 WeakPolarHBondContact O-CB 3.41Å; G545-D898 PolarHBondContact O-N 3.05Å
546	P	98.3	Very high	96.8	Very high	18 Å²	18	70.8 Å²	70.8	12%	0.117	39%	0.391	C	S	.	.			cis	-71.4	162.3	-1.4	30.8	-39	0	0	0	112.9	K901 M902 H905	P546-K901 HydrophobicContact CG-CB 4.12Å; P546-K901 WeakPolarHBondContact O-CD 3.46Å; P546-M902 HydrophobicContact CG-CG 4.02Å; P546-M902 HydrophobicContact CG-SD 3.67Å; P546-H905 HydrophobicContact CB-CB 4.37Å; P546-H905 WeakPolarHBondContact CB-CD2 3.43Å; P546-H905 HydrophobicContact CG-CB 3.69Å
547	H	98.1	Very high	96.8	Very high	101 Å²	101	79.4 Å²	79.4	47%	0.468	43%	0.428	S	S	.	.			trans	-114.2	161.1	170.2	-54.1	-59.4	0	0	0	109.2
548	Y	98.7	Very high	96.8	Very high	12 Å²	12	79.6 Å²	79.6	5%	0.047	43%	0.431	C	S	.	.			trans	-63.6	148.3	174.5	-72.2	-45.8	0	0	0	111.8	L550 P664 N677 H678 P679 V936	Y548-L550 PolarHBondContact O-N 3.21Å; Y548-P664 HydrophobicContact CE2-CG 3.83Å; Y548-P664 WeakPolarHBondContact OH-CD 3.24Å; Y548-P664 WeakPolarHBondContact OH-CG 3.42Å; Y548-N677 VanDerWaalsContact CD2-OD1 3.29Å; Y548-N677 WeakPolarHBondContact CD2-OD1 3.15Å; Y548-H678 VanDerWaalsContact CE2-C 3.43Å; Y548-H678 WeakPolarHBondContact CE2-O 3.3Å; Y548-H678 PolarHBondContact OH-O 3.35Å; Y548-P679 HydrophobicContact CD1-CB 4.45Å; Y548-P679 HydrophobicContact CD1-CG 4.03Å; Y548-P679 HydrophobicContact CD2-CG 4.25Å; Y548-P679 HydrophobicContact CE1-CB 4.01Å; Y548-P679 HydrophobicContact CE1-CG 4.02Å; Y548-P679 HydrophobicContact CE2-CG 4.22Å; Y548-P679 HydrophobicContact CG-CG 4.16Å; Y548-P679 VanDerWaalsContact CZ-CA 3.48Å; Y548-P679 WeakPolarHBondContact OH-CA 3.32Å; Y548-V936 HydrophobicContact CD1-CB 3.52Å; Y548-V936 HydrophobicContact CD1-CG1 4.27Å; Y548-V936 HydrophobicContact CD1-CG2 3.93Å; Y548-V936 HydrophobicContact CD2-CB 4.35Å; Y548-V936 HydrophobicContact CD2-CG2 4.17Å; Y548-V936 HydrophobicContact CE1-CB 3.62Å; Y548-V936 HydrophobicContact CE1-CG2 3.58Å; Y548-V936 HydrophobicContact CE2-CB 4.46Å; Y548-V936 HydrophobicContact CE2-CG2 3.88Å; Y548-V936 HydrophobicContact CG-CB 3.91Å; Y548-V936 HydrophobicContact CG-CG1 4.2Å; Y548-V936 HydrophobicContact CG-CG2 4.21Å
549	P	98.3	Very high	96.8	Very high	32 Å²	32	76.8 Å²	76.8	21%	0.208	42%	0.424	C	S	.	.			trans	-79.6	68.3	-176.6	34.9	-37.6	0	0	0	111	Y908 V936	P549-Y908 HydrophobicContact CB-CE1 4.48Å; P549-Y908 HydrophobicContact CB-CE2 4.19Å; P549-Y908 HydrophobicContact CG-CD2 4.09Å; P549-Y908 HydrophobicContact CG-CE1 4.43Å; P549-Y908 HydrophobicContact CG-CE2 3.55Å; P549-V936 WeakPolarHBondContact CD-O 3.45Å
550	L	98.6	Very high	96.9	Very high	28 Å²	28	71.2 Å²	71.2	15%	0.147	40%	0.399	C	S	.	.			trans	-85	136.8	-174.2	-59.6	177.9	0	0	0	112.5	Y548 I552 L675 N677 F706 F723 T724	Y548-L550 PolarHBondContact O-N 3.21Å; L550-I552 HydrophobicContact CB-CD1 4.24Å; L550-I552 HydrophobicContact CB-CG1 3.96Å; L550-I552 PolarHBondContact O-N 2.92Å; L550-L675 HydrophobicContact CD2-CD2 3.94Å; L550-N677 WeakPolarHBondContact CD1-ND2 3.44Å; L550-F706 HydrophobicContact CD1-CE2 3.8Å; L550-F706 HydrophobicContact CD1-CZ 4.13Å; L550-F723 HydrophobicContact CB-CD2 4.5Å; L550-F723 HydrophobicContact CB-CE2 3.81Å; L550-F723 HydrophobicContact CB-CZ 4.1Å; L550-F723 HydrophobicContact CD1-CE1 4.47Å; L550-F723 HydrophobicContact CD1-CE2 4.34Å; L550-F723 HydrophobicContact CD1-CZ 3.79Å; L550-F723 HydrophobicContact CD2-CD1 4.35Å; L550-F723 HydrophobicContact CD2-CE1 3.9Å; L550-F723 HydrophobicContact CD2-CE2 4.12Å; L550-F723 HydrophobicContact CD2-CZ 3.79Å; L550-F723 HydrophobicContact CG-CE2 4.3Å; L550-F723 HydrophobicContact CG-CZ 4.1Å; L550-T724 HydrophobicContact CD2-CG2 3.94Å
551	N	98.4	Very high	97	Very high	84 Å²	84	71.7 Å²	71.7	45%	0.449	38%	0.379	S	S	.	.			trans	-86.4	88	171.8	-64.3	-41.9	0	0	0	110.1	Q527 R722 F723	Q527-N551 PolarHBondContact NE2-O 3.45Å; N551-R722 PolarHBondContact ND2-O 2.79Å; N551-F723 WeakPolarHBondContact CB-O 3.37Å; N551-F723 PolarHBondContact N-O 3.09Å; N551-F723 WeakPolarHBondContact O-CD2 3.17Å
552	I	98.1	Very high	97.2	Very high	78 Å²	78	73.3 Å²	73.3	40%	0.4	38%	0.38	S	S	.	.			trans	-96.3	111.1	-177.6	-58	175.3	0	0	0	110.2	P526 L550 F723	P526-I552 HydrophobicContact CB-CB 4.25Å; P526-I552 HydrophobicContact CB-CG1 4.07Å; P526-I552 HydrophobicContact CB-CG2 3.99Å; L550-I552 HydrophobicContact CB-CD1 4.24Å; L550-I552 HydrophobicContact CB-CG1 3.96Å; L550-I552 PolarHBondContact O-N 2.92Å; I552-F723 HydrophobicContact CG1-CE2 4.15Å
553	L	97.3	Very high	97.6	Very high	79 Å²	79	67.7 Å²	67.7	41%	0.414	35%	0.353	S	S	.	.			trans	-79.4	140.3	169	-62	175.3	0	0	0	110	P526 V556	P526-L553 WeakPolarHBondContact O-CB 3.48Å; P526-L553 PolarHBondContact O-N 2.94Å; L553-V556 HydrophobicContact CB-CG2 3.67Å; L553-V556 HydrophobicContact CD1-CG2 4.3Å
554	Q	95.7	Very high	97.7	Very high	142 Å²	142	73.4 Å²	73.4	66%	0.664	38%	0.378	S	S	*	.	S	Bend	trans	-92	-14.2	179.6	-61.5	-60.8	-46.8	0	0	112.5	N496	N496-Q554 PolarHBondContact ND2-O 2.94Å
555	D	96.3	Very high	97.8	Very high	131 Å²	131	79.1 Å²	79.1	70%	0.701	39%	0.393	S	S	*	.			trans	-117.1	20.7	-167.9	62.9	-25.6	0	0	0	113.3	K557	D555-K557 PolarHBondContact O-N 3.01Å
556	V	98.2	Very high	98	Very high	16 Å²	16	81.4 Å²	81.4	10%	0.097	40%	0.396	C	S	.	.			trans	-59.5	127.9	175.7	-175.8	0	0	0	0	109.7	S525 L553 V558	S525-V556 VanDerWaalsContact O-CG2 3.3Å; S525-V556 WeakPolarHBondContact O-CG2 3.26Å; L553-V556 HydrophobicContact CB-CG2 3.67Å; L553-V556 HydrophobicContact CD1-CG2 4.3Å; V556-V558 HydrophobicContact CG1-CG1 4.32Å; V556-V558 PolarHBondContact O-N 3.03Å
557	K	98.4	Very high	98	Very high	187 Å²	187	80.5 Å²	80.5	81%	0.813	39%	0.39	S	S	*	.			trans	-68.1	118.3	174.7	-176	-173.4	175.1	-175.4	0	109.9	D555	D555-K557 PolarHBondContact O-N 3.01Å
558	V	98.7	Very high	98	Very high	29 Å²	29	77 Å²	77	18%	0.176	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	167.8	178.4	-62.4	0	0	0	0	111.6	N496 V556 F569 K570	N496-V558 HydrophobicContact CB-CG2 3.88Å; V556-V558 HydrophobicContact CG1-CG1 4.32Å; V556-V558 PolarHBondContact O-N 3.03Å; V558-F569 HydrophobicContact CB-CE2 4.18Å; V558-F569 HydrophobicContact CB-CZ 4.08Å; V558-F569 HydrophobicContact CG1-CE1 4.32Å; V558-F569 HydrophobicContact CG1-CE2 4.25Å; V558-F569 HydrophobicContact CG1-CZ 3.67Å; V558-F569 HydrophobicContact CG2-CE2 4.18Å; V558-F569 HydrophobicContact CG2-CZ 4.42Å; V558-K570 CarbonylContact C-O 3.43Å; V558-K570 WeakPolarHBondContact CA-O 3.38Å; V558-K570 VanDerWaalsContact CB-O 3.3Å; V558-K570 WeakPolarHBondContact CB-O 3.37Å
559	T	98.7	Very high	98	Very high	66 Å²	66	76.4 Å²	76.4	41%	0.405	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	132.3	170.6	-60.6	0	0	0	0	108.7	E561 K570	T559-E561 HydrophobicContact CG2-CG 4.21Å; T559-K570 PolarHBondContact N-O 3.33Å; T559-K570 PolarHBondContact O-N 2.97Å
560	I	98.7	Very high	98.1	Very high	30 Å²	30	78.2 Å²	78.2	15%	0.154	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	120.2	179.1	-59.8	176	0	0	0	107.5	Q493 E497 M498 E568 F569	Q493-I560 HydrophobicContact CG-CD1 3.8Å; E497-I560 WeakPolarHBondContact O-CD1 3.43Å; M498-I560 HydrophobicContact CB-CD1 4.26Å; M498-I560 HydrophobicContact CB-CG2 4.19Å; M498-I560 HydrophobicContact CG-CG2 4.22Å; M498-I560 HydrophobicContact SD-CG2 4.22Å; I560-E568 WeakPolarHBondContact CA-O 3.15Å; I560-F569 HydrophobicContact CD1-CD2 4.06Å; I560-F569 HydrophobicContact CD1-CE2 4.23Å; I560-F569 HydrophobicContact CG1-CD2 3.8Å; I560-F569 HydrophobicContact CG1-CE2 4.25Å
561	E	98.3	Very high	98.1	Very high	91 Å²	91	76.9 Å²	76.9	43%	0.425	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	115.3	177.3	-68.4	-179	-161.3	0	0	109.3	T559 Y566 A567 E568	T559-E561 HydrophobicContact CG2-CG 4.21Å; E561-Y566 HydrophobicContact CB-CE2 4.32Å; E561-A567 CarbonylContact O-C 3.55Å; E561-A567 WeakPolarHBondContact O-CA 3.4Å; E561-E568 PolarHBondContact N-O 2.94Å; E561-E568 PolarHBondContact O-N 2.68Å
562	N	98.4	Very high	98.1	Very high	88 Å²	88	74.4 Å²	74.4	47%	0.471	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	96.5	179.7	-172.9	14.2	0	0	0	109.6	K580	N562-K580 WeakPolarHBondContact OD1-CE 3.48Å; N562-K580 PolarHBondContact OD1-NZ 2.9Å
563	T	98	Very high	98.1	Very high	45 Å²	45	74.1 Å²	74.1	28%	0.276	36%	0.363	S	S	.	.			trans	-106.3	178	-176.7	74.3	0	0	0	0	111.8	R565 Y566 K580	T563-R565 VanDerWaalsContact C-N 3.26Å; T563-R565 PolarHBondContact O-N 2.85Å; T563-R565 PolarHBondContact OG1-N 3.43Å; T563-Y566 HydrophobicContact CG2-CD2 4.27Å; T563-Y566 HydrophobicContact CG2-CE1 4.03Å; T563-Y566 HydrophobicContact CG2-CE2 3.64Å; T563-Y566 VanDerWaalsContact CG2-CZ 3.49Å; T563-Y566 PolarHBondContact N-O 2.93Å; T563-Y566 WeakPolarHBondContact OG1-CD1 3.28Å; T563-Y566 VanDerWaalsContact OG1-CE1 3.3Å; T563-Y566 WeakPolarHBondContact OG1-CE1 3.28Å; T563-Y566 PolarHBondContact OG1-N 3.46Å; T563-Y566 VanDerWaalsContact OG1-N 3.09Å; T563-Y566 PolarHBondContact OG1-O 2.7Å; T563-Y566 VanDerWaalsContact OG1-O 3.1Å; T563-K580 WeakPolarHBondContact O-CD 3.35Å; T563-K580 VanDerWaalsContact O-CE 3.28Å; T563-K580 WeakPolarHBondContact O-CE 3.45Å; T563-K580 PolarHBondContact O-NZ 2.92Å
564	E	96.4	Very high	98.2	Very high	183 Å²	183	70.3 Å²	70.3	86%	0.855	34%	0.343	S	S	*	.	S	Bend	trans	-63.8	-32.5	173.3	-172.5	177	-176.9	0	0	112.5	K580	E564-K580 WeakPolarHBondContact O-CD 3.19Å
565	R	97.4	Very high	98.3	Very high	201 Å²	201	63.6 Å²	63.6	76%	0.758	31%	0.312	S	S	*	.	S	Bend	trans	-97	-27.8	-173.3	-65.9	-173.7	68.3	-177.6	0.5	114	T563 K580	T563-R565 VanDerWaalsContact C-N 3.26Å; T563-R565 PolarHBondContact O-N 2.85Å; T563-R565 PolarHBondContact OG1-N 3.43Å; R565-K580 PolarHBondContact O-N 2.96Å
566	Y	98.4	Very high	98.4	Very high	68 Å²	68	57.4 Å²	57.4	27%	0.267	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	161.3	-174.4	59	-93.8	0	0	0	112.1	E561 T563 E568 R577 V578	E561-Y566 HydrophobicContact CB-CE2 4.32Å; T563-Y566 HydrophobicContact CG2-CD2 4.27Å; T563-Y566 HydrophobicContact CG2-CE1 4.03Å; T563-Y566 HydrophobicContact CG2-CE2 3.64Å; T563-Y566 VanDerWaalsContact CG2-CZ 3.49Å; T563-Y566 PolarHBondContact N-O 2.93Å; T563-Y566 WeakPolarHBondContact OG1-CD1 3.28Å; T563-Y566 VanDerWaalsContact OG1-CE1 3.3Å; T563-Y566 WeakPolarHBondContact OG1-CE1 3.28Å; T563-Y566 PolarHBondContact OG1-N 3.46Å; T563-Y566 VanDerWaalsContact OG1-N 3.09Å; T563-Y566 PolarHBondContact OG1-O 2.7Å; T563-Y566 VanDerWaalsContact OG1-O 3.1Å; Y566-E568 HydrophobicContact CD2-CB 3.92Å; Y566-E568 HydrophobicContact CE2-CB 4.18Å; Y566-R577 HydrophobicContact CD2-CG 4.26Å; Y566-R577 HydrophobicContact CG-CG 4.24Å; Y566-V578 CarbonylContact C-O 3.5Å; Y566-V578 VanDerWaalsContact CA-O 3.22Å; Y566-V578 WeakPolarHBondContact CA-O 3.35Å; Y566-V578 WeakPolarHBondContact CB-O 3.22Å
567	A	98.7	Very high	98.5	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	124.9	162	0	0	0	0	0	108.2	V491 M498 E561 R577 V578	V491-A567 HydrophobicContact CB-CB 4.4Å; V491-A567 HydrophobicContact CG1-CB 3.71Å; V491-A567 HydrophobicContact CG2-CB 3.87Å; M498-A567 HydrophobicContact CE-CB 4.23Å; M498-A567 HydrophobicContact SD-CB 3.7Å; E561-A567 CarbonylContact O-C 3.55Å; E561-A567 WeakPolarHBondContact O-CA 3.4Å; A567-R577 CarbonylContact O-C 3.57Å; A567-R577 WeakPolarHBondContact O-CA 3.31Å; A567-V578 PolarHBondContact N-O 2.99Å; A567-V578 PolarHBondContact O-N 2.64Å
568	E	98.8	Very high	98.5	Very high	26 Å²	26	51.2 Å²	51.2	12%	0.121	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	126.8	-175.2	-172.6	166.6	166	0	0	110.8	I560 E561 Y566 S575 A576 R577	I560-E568 WeakPolarHBondContact CA-O 3.15Å; E561-E568 PolarHBondContact N-O 2.94Å; E561-E568 PolarHBondContact O-N 2.68Å; Y566-E568 HydrophobicContact CD2-CB 3.92Å; Y566-E568 HydrophobicContact CE2-CB 4.18Å; E568-S575 WeakPolarHBondContact OE1-CB 3.21Å; E568-S575 PolarHBondContact OE1-OG 3.48Å; E568-A576 WeakPolarHBondContact CA-O 3.43Å; E568-R577 HydrophobicContact CB-CB 4.31Å; E568-R577 HydrophobicContact CB-CG 4.17Å; E568-R577 HydrophobicContact CG-CB 4.08Å; E568-R577 HydrophobicContact CG-CG 4.39Å; E568-R577 WeakPolarHBondContact OE2-CD 3.5Å
569	F	98.9	Very high	98.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	126.5	175	177.2	-87.2	0	0	0	109.3	N496 M498 F523 F524 V531 V558 I560 S575 A576	N496-F569 VanDerWaalsContact O-CE2 3.28Å; N496-F569 WeakPolarHBondContact O-CE2 3.2Å; M498-F569 HydrophobicContact CB-CB 4.16Å; M498-F569 HydrophobicContact CB-CD2 3.87Å; M498-F569 HydrophobicContact CB-CG 4.44Å; M498-F569 HydrophobicContact CE-CB 3.76Å; M498-F569 HydrophobicContact SD-CB 4.13Å; F523-F569 HydrophobicContact CB-CB 3.87Å; F523-F569 HydrophobicContact CB-CD1 4.09Å; F523-F569 HydrophobicContact CB-CD2 4.18Å; F523-F569 HydrophobicContact CB-CG 3.77Å; F523-F569 WeakPolarHBondContact O-CE2 3.39Å; F524-F569 VanDerWaalsContact CA-CZ 3.44Å; F524-F569 WeakPolarHBondContact O-CE1 3.47Å; V531-F569 HydrophobicContact CG1-CD1 3.8Å; V531-F569 HydrophobicContact CG1-CE1 4.11Å; V531-F569 HydrophobicContact CG2-CD1 4.19Å; V531-F569 HydrophobicContact CG2-CE1 4.24Å; V558-F569 HydrophobicContact CB-CE2 4.18Å; V558-F569 HydrophobicContact CB-CZ 4.08Å; V558-F569 HydrophobicContact CG1-CE1 4.32Å; V558-F569 HydrophobicContact CG1-CE2 4.25Å; V558-F569 HydrophobicContact CG1-CZ 3.67Å; V558-F569 HydrophobicContact CG2-CE2 4.18Å; V558-F569 HydrophobicContact CG2-CZ 4.42Å; I560-F569 HydrophobicContact CD1-CD2 4.06Å; I560-F569 HydrophobicContact CD1-CE2 4.23Å; I560-F569 HydrophobicContact CG1-CD2 3.8Å; I560-F569 HydrophobicContact CG1-CE2 4.25Å; F569-S575 CarbonylContact O-C 3.36Å; F569-S575 WeakPolarHBondContact O-CA 3.24Å; F569-S575 VanDerWaalsContact O-CB 3.25Å; F569-S575 WeakPolarHBondContact O-CB 3.42Å; F569-A576 PolarHBondContact N-O 2.74Å; F569-A576 PolarHBondContact O-N 2.7Å
570	K	98.9	Very high	98.4	Very high	71 Å²	71	50.7 Å²	50.7	31%	0.309	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	133.4	-172	-174.4	172.3	-176.9	178.2	0	113	V558 T559 G572 L574	V558-K570 CarbonylContact C-O 3.43Å; V558-K570 WeakPolarHBondContact CA-O 3.38Å; V558-K570 VanDerWaalsContact CB-O 3.3Å; V558-K570 WeakPolarHBondContact CB-O 3.37Å; T559-K570 PolarHBondContact N-O 3.33Å; T559-K570 PolarHBondContact O-N 2.97Å; K570-G572 WeakPolarHBondContact CE-O 3.24Å; K570-L574 WeakPolarHBondContact CA-O 3.49Å
571	S	98.8	Very high	98.2	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	117.2	170.2	-179.6	0	0	0	0	109.7	S525 Q527 G529 N573 L574	S525-S571 WeakPolarHBondContact OG-CB 3.46Å; S525-S571 PolarHBondContact OG-OG 2.88Å; Q527-S571 PolarHBondContact O-OG 3.13Å; G529-S571 PolarHBondContact N-OG 3.39Å; G529-S571 VanDerWaalsContact N-OG 3.14Å; S571-N573 PolarHBondContact O-N 3.24Å; S571-L574 PolarHBondContact N-O 3.39Å; S571-L574 PolarHBondContact O-N 2.8Å; S571-L574 VanDerWaalsContact O-N 3.11Å; S571-L574 VanDerWaalsContact O-O 3.06Å
572	G	98.3	Very high	98	Very high	32 Å²	32	52.9 Å²	52.9	33%	0.33	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	-124.2	-174.5	0	0	0	0	0	112.3	E528 K570	E528-G572 VanDerWaalsContact OE1-CA 3.25Å; E528-G572 WeakPolarHBondContact OE1-CA 3.34Å; K570-G572 WeakPolarHBondContact CE-O 3.24Å
573	N	98.6	Very high	97.9	Very high	71 Å²	71	56.4 Å²	56.4	38%	0.38	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-15.7	175.5	-62.3	128.6	0	0	0	114.3	S571 R590 N591	S571-N573 PolarHBondContact O-N 3.24Å; N573-R590 HydrophobicContact CB-CG 4.5Å; N573-R590 WeakPolarHBondContact O-CA 3.32Å; N573-N591 PolarHBondContact ND2-ND2 2.93Å; N573-N591 PolarHBondContact O-N 3.44Å
574	L	98.9	Very high	97.9	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	131.4	-175.9	-177.3	64.7	0	0	0	111.1	G529 V531 K570 S571 F588 L589 I595 V707 D709	G529-L574 WeakPolarHBondContact O-CD2 3.36Å; V531-L574 HydrophobicContact CB-CD2 4.15Å; V531-L574 HydrophobicContact CG2-CB 4.45Å; V531-L574 HydrophobicContact CG2-CD2 3.87Å; V531-L574 HydrophobicContact CG2-CG 3.9Å; K570-L574 WeakPolarHBondContact CA-O 3.49Å; S571-L574 PolarHBondContact N-O 3.39Å; S571-L574 PolarHBondContact O-N 2.8Å; S571-L574 VanDerWaalsContact O-N 3.11Å; S571-L574 VanDerWaalsContact O-O 3.06Å; L574-F588 HydrophobicContact CD1-CB 4.5Å; L574-L589 CarbonylContact C-O 3.36Å; L574-L589 WeakPolarHBondContact CA-O 3.38Å; L574-I595 HydrophobicContact CD1-CD1 3.8Å; L574-V707 HydrophobicContact CD1-CG1 4.21Å; L574-V707 HydrophobicContact CD2-CB 4.16Å; L574-V707 HydrophobicContact CD2-CG1 3.94Å; L574-V707 VanDerWaalsContact CD2-O 3.23Å; L574-V707 WeakPolarHBondContact CD2-O 3.31Å; L574-D709 HydrophobicContact CB-CB 4.02Å; L574-D709 HydrophobicContact CD2-CB 4.2Å
575	S	98.9	Very high	97.9	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.007	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	153.6	169	60.9	0	0	0	0	112.9	E568 F569 F588 L589	E568-S575 WeakPolarHBondContact OE1-CB 3.21Å; E568-S575 PolarHBondContact OE1-OG 3.48Å; F569-S575 CarbonylContact O-C 3.36Å; F569-S575 WeakPolarHBondContact O-CA 3.24Å; F569-S575 VanDerWaalsContact O-CB 3.25Å; F569-S575 WeakPolarHBondContact O-CB 3.42Å; S575-F588 CarbonylContact O-C 3.5Å; S575-F588 VanDerWaalsContact O-CA 3.31Å; S575-F588 WeakPolarHBondContact O-CA 3.06Å; S575-L589 PolarHBondContact N-O 2.95Å; S575-L589 PolarHBondContact O-N 3.06Å
576	A	98.9	Very high	98	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	117.8	167.1	0	0	0	0	0	108.4	F523 V531 E568 F569 L586 D587 F588	F523-A576 HydrophobicContact CD1-CB 3.73Å; F523-A576 HydrophobicContact CE1-CB 3.91Å; V531-A576 HydrophobicContact CG1-CB 3.91Å; E568-A576 WeakPolarHBondContact CA-O 3.43Å; F569-A576 PolarHBondContact N-O 2.74Å; F569-A576 PolarHBondContact O-N 2.7Å; A576-L586 HydrophobicContact CB-CD1 4.36Å; A576-D587 WeakPolarHBondContact CA-O 3.49Å; A576-F588 HydrophobicContact CB-CD1 3.99Å; A576-F588 HydrophobicContact CB-CE1 3.83Å
577	R	98.9	Very high	98	Very high	74 Å²	74	35 Å²	35	28%	0.279	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	122.3	-179	-173.3	176.6	68.4	-158.8	-2.8	110.6	Y566 A567 E568 L586 D587 L589	Y566-R577 HydrophobicContact CD2-CG 4.26Å; Y566-R577 HydrophobicContact CG-CG 4.24Å; A567-R577 CarbonylContact O-C 3.57Å; A567-R577 WeakPolarHBondContact O-CA 3.31Å; E568-R577 HydrophobicContact CB-CB 4.31Å; E568-R577 HydrophobicContact CB-CG 4.17Å; E568-R577 HydrophobicContact CG-CB 4.08Å; E568-R577 HydrophobicContact CG-CG 4.39Å; E568-R577 WeakPolarHBondContact OE2-CD 3.5Å; R577-L586 WeakPolarHBondContact O-CA 3.45Å; R577-D587 PolarHBondContact N-O 2.86Å; R577-D587 PolarHBondContact O-N 3.06Å; R577-L589 HydrophobicContact CB-CD1 3.96Å
578	V	98.8	Very high	98	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	124.4	172.1	-174.5	0	0	0	0	109.6	V488 V500 F523 Y566 A567 W584 S585 L586	V488-V578 HydrophobicContact CG2-CG1 3.59Å; V500-V578 HydrophobicContact CG1-CG1 4.36Å; V500-V578 HydrophobicContact CG2-CG2 4.39Å; F523-V578 HydrophobicContact CE2-CG2 3.88Å; F523-V578 HydrophobicContact CZ-CG2 3.6Å; Y566-V578 CarbonylContact C-O 3.5Å; Y566-V578 VanDerWaalsContact CA-O 3.22Å; Y566-V578 WeakPolarHBondContact CA-O 3.35Å; Y566-V578 WeakPolarHBondContact CB-O 3.22Å; A567-V578 PolarHBondContact N-O 2.99Å; A567-V578 PolarHBondContact O-N 2.64Å; V578-W584 HydrophobicContact CG1-CE3 4.04Å; V578-W584 HydrophobicContact CG1-CH2 3.68Å; V578-W584 HydrophobicContact CG1-CZ2 4.29Å; V578-W584 HydrophobicContact CG1-CZ3 3.55Å; V578-S585 CarbonylContact C-O 3.57Å; V578-S585 WeakPolarHBondContact CA-O 3.31Å; V578-L586 HydrophobicContact CG2-CD1 3.85Å
579	S	98.5	Very high	98	Very high	29 Å²	29	33.9 Å²	33.9	20%	0.203	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	127.9	176	-63.6	0	0	0	0	111	F583 S585	S579-F583 WeakPolarHBondContact CB-O 3.34Å; S579-S585 PolarHBondContact N-O 3.39Å
580	K	97.2	Very high	98	Very high	54 Å²	54	35.9 Å²	35.9	24%	0.235	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-84.3	167.2	176.9	-63.4	-177.1	176	-175.1	0	111.4	V488 N562 T563 E564 R565	V488-K580 HydrophobicContact CB-CG 4.25Å; V488-K580 HydrophobicContact CG1-CG 4.21Å; V488-K580 HydrophobicContact CG2-CG 4.27Å; N562-K580 WeakPolarHBondContact OD1-CE 3.48Å; N562-K580 PolarHBondContact OD1-NZ 2.9Å; T563-K580 WeakPolarHBondContact O-CD 3.35Å; T563-K580 VanDerWaalsContact O-CE 3.28Å; T563-K580 WeakPolarHBondContact O-CE 3.45Å; T563-K580 PolarHBondContact O-NZ 2.92Å; E564-K580 WeakPolarHBondContact O-CD 3.19Å; R565-K580 PolarHBondContact O-N 2.96Å
581	G	94.6	Very high	98	Very high	37 Å²	37	37.7 Å²	37.7	38%	0.381	20%	0.198	S	C	.	.	S	Bend	trans	86.2	-144	175.1	0	0	0	0	0	113.2
582	E	93.8	Very high	97.9	Very high	131 Å²	131	40.1 Å²	40.1	61%	0.612	22%	0.223	S	C	*	.	S	Bend	trans	-77.4	-29.6	-171.6	-171.1	174.3	172.4	0	0	113.6
583	F	95.7	Very high	97.9	Very high	162 Å²	162	45.2 Å²	45.2	71%	0.711	24%	0.239	S	C	*	.	S	Bend	trans	-107.3	84.1	-174	-56.7	-68.3	0	0	0	111	S579 S585	S579-F583 WeakPolarHBondContact CB-O 3.34Å; F583-S585 PolarHBondContact O-N 3.13Å
584	W	97.9	Very high	97.9	Very high	11 Å²	11	46.7 Å²	46.7	4%	0.042	24%	0.239	C	C	.	.			trans	-58.4	134.6	173.1	172.8	-82.4	0	0	0	112	P485 L486 V488 A502 L521 V578 V600	P485-W584 HydrophobicContact CB-CH2 3.89Å; P485-W584 HydrophobicContact CB-CZ2 3.78Å; P485-W584 HydrophobicContact CB-CZ3 4.38Å; P485-W584 HydrophobicContact CG-CH2 4.48Å; P485-W584 HydrophobicContact CG-CZ2 3.91Å; L486-W584 VanDerWaalsContact O-CB 3.25Å; L486-W584 WeakPolarHBondContact O-CB 3.46Å; V488-W584 HydrophobicContact CG2-CE3 4.02Å; V488-W584 HydrophobicContact CG2-CZ3 3.68Å; A502-W584 HydrophobicContact CB-CE3 4.49Å; A502-W584 HydrophobicContact CB-CH2 3.71Å; A502-W584 HydrophobicContact CB-CZ3 3.55Å; L521-W584 HydrophobicContact CD1-CH2 4.3Å; L521-W584 HydrophobicContact CD2-CH2 3.92Å; L521-W584 HydrophobicContact CD2-CZ2 4.03Å; V578-W584 HydrophobicContact CG1-CE3 4.04Å; V578-W584 HydrophobicContact CG1-CH2 3.68Å; V578-W584 HydrophobicContact CG1-CZ2 4.29Å; V578-W584 HydrophobicContact CG1-CZ3 3.55Å; W584-V600 HydrophobicContact CB-CB 4.38Å; W584-V600 HydrophobicContact CB-CG2 4.03Å; W584-V600 HydrophobicContact CG-CG2 4.38Å
585	S	98	Very high	97.9	Very high	23 Å²	23	47.5 Å²	47.5	16%	0.161	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	139.9	169	-169.6	0	0	0	0	108.6	V578 S579 F583 D587	V578-S585 CarbonylContact C-O 3.57Å; V578-S585 WeakPolarHBondContact CA-O 3.31Å; S579-S585 PolarHBondContact N-O 3.39Å; F583-S585 PolarHBondContact O-N 3.13Å; S585-D587 VanDerWaalsContact OG-CG 3.27Å; S585-D587 PolarHBondContact OG-OD1 2.94Å; S585-D587 VanDerWaalsContact OG-OD1 3.13Å; S585-D587 PolarHBondContact OG-OD2 3.31Å
586	L	98.8	Very high	97.9	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	110.7	166.8	170.1	62.9	0	0	0	107.8	F523 A576 R577 V578 F588 G597 S598	F523-L586 HydrophobicContact CE1-CD1 3.67Å; F523-L586 HydrophobicContact CZ-CD1 3.84Å; A576-L586 HydrophobicContact CB-CD1 4.36Å; R577-L586 WeakPolarHBondContact O-CA 3.45Å; V578-L586 HydrophobicContact CG2-CD1 3.85Å; L586-F588 HydrophobicContact CD2-CE2 4.44Å; L586-F588 HydrophobicContact CD2-CZ 4.24Å; L586-F588 HydrophobicContact CG-CE2 4.35Å; L586-F588 HydrophobicContact CG-CZ 4.33Å; L586-G597 CarbonylContact O-C 3.54Å; L586-G597 WeakPolarHBondContact O-CA 3.3Å; L586-S598 PolarHBondContact N-O 2.84Å; L586-S598 VanDerWaalsContact N-O 3.13Å; L586-S598 PolarHBondContact O-N 2.7Å
587	D	98.8	Very high	97.9	Very high	14 Å²	14	47.5 Å²	47.5	8%	0.075	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	130.6	-174.6	-63.1	-57.6	0	0	0	110.9	A576 R577 S585 L589 R594	A576-D587 WeakPolarHBondContact CA-O 3.49Å; R577-D587 PolarHBondContact N-O 2.86Å; R577-D587 PolarHBondContact O-N 3.06Å; S585-D587 VanDerWaalsContact OG-CG 3.27Å; S585-D587 PolarHBondContact OG-OD1 2.94Å; S585-D587 VanDerWaalsContact OG-OD1 3.13Å; S585-D587 PolarHBondContact OG-OD2 3.31Å; D587-L589 HydrophobicContact CB-CD2 4.09Å; D587-L589 HydrophobicContact CB-CG 4.47Å; D587-R594 IonicContact OD1-CZ 3.7Å; D587-R594 IonicContact OD1-NE 2.82Å; D587-R594 PolarHBondContact OD1-NE 3.07Å; D587-R594 IonicContact OD1-NH2 3.31Å; D587-R594 PolarHBondContact OD1-NH2 3.32Å
588	F	98.9	Very high	97.9	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	123.6	169.5	-61.6	-78.6	0	0	0	109.1	V533 L574 S575 A576 L586 R594 I595 T596 L620 Y705 V707	V533-F588 HydrophobicContact CG2-CE1 3.79Å; V533-F588 HydrophobicContact CG2-CZ 3.85Å; L574-F588 HydrophobicContact CD1-CB 4.5Å; S575-F588 CarbonylContact O-C 3.5Å; S575-F588 VanDerWaalsContact O-CA 3.31Å; S575-F588 WeakPolarHBondContact O-CA 3.06Å; A576-F588 HydrophobicContact CB-CD1 3.99Å; A576-F588 HydrophobicContact CB-CE1 3.83Å; L586-F588 HydrophobicContact CD2-CE2 4.44Å; L586-F588 HydrophobicContact CD2-CZ 4.24Å; L586-F588 HydrophobicContact CG-CE2 4.35Å; L586-F588 HydrophobicContact CG-CZ 4.33Å; F588-R594 WeakPolarHBondContact O-CA 3.29Å; F588-I595 HydrophobicContact CB-CG1 4.16Å; F588-I595 WeakPolarHBondContact O-CG1 3.4Å; F588-I595 PolarHBondContact O-N 3.38Å; F588-T596 HydrophobicContact CB-CG2 4.1Å; F588-T596 HydrophobicContact CD2-CG2 3.88Å; F588-T596 HydrophobicContact CG-CG2 4.34Å; F588-T596 PolarHBondContact N-O 3.31Å; F588-L620 HydrophobicContact CD2-CD2 4.38Å; F588-L620 HydrophobicContact CE2-CD2 3.74Å; F588-Y705 HydrophobicContact CE2-CE2 4.21Å; F588-Y705 AromaticContact CZ-CE2 3.71Å; F588-Y705 HydrophobicContact CZ-CE2 3.71Å; F588-V707 HydrophobicContact CD1-CB 4.04Å; F588-V707 HydrophobicContact CD1-CG1 4.29Å; F588-V707 HydrophobicContact CD1-CG2 3.68Å; F588-V707 HydrophobicContact CD2-CG2 4.09Å; F588-V707 HydrophobicContact CE1-CB 4.19Å; F588-V707 HydrophobicContact CE1-CG2 3.51Å; F588-V707 HydrophobicContact CE2-CG2 3.96Å; F588-V707 HydrophobicContact CG-CB 4.49Å; F588-V707 HydrophobicContact CG-CG1 4.35Å; F588-V707 HydrophobicContact CG-CG2 3.96Å; F588-V707 HydrophobicContact CZ-CG2 3.67Å
589	L	98.9	Very high	97.8	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	132.2	-171.3	-50.4	169.8	0	0	0	110	L574 S575 R577 D587 E593 R594	L574-L589 CarbonylContact C-O 3.36Å; L574-L589 WeakPolarHBondContact CA-O 3.38Å; S575-L589 PolarHBondContact N-O 2.95Å; S575-L589 PolarHBondContact O-N 3.06Å; R577-L589 HydrophobicContact CB-CD1 3.96Å; D587-L589 HydrophobicContact CB-CD2 4.09Å; D587-L589 HydrophobicContact CB-CG 4.47Å; L589-E593 CarbonylContact C-O 3.39Å; L589-E593 WeakPolarHBondContact CA-O 3.42Å; L589-R594 HydrophobicContact CD2-CB 3.87Å; L589-R594 HydrophobicContact CD2-CG 4.37Å
590	R	98.7	Very high	97.8	Very high	42 Å²	42	50.2 Å²	50.2	16%	0.158	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	116.6	164.2	174.7	168	52.8	-129	5.8	108	N573 G592 E593 I595 R670 G671 D709	N573-R590 HydrophobicContact CB-CG 4.5Å; N573-R590 WeakPolarHBondContact O-CA 3.32Å; R590-G592 PolarHBondContact O-N 3.06Å; R590-G592 VanDerWaalsContact O-N 3.1Å; R590-E593 PolarHBondContact N-O 2.98Å; R590-E593 WeakPolarHBondContact O-CB 3.44Å; R590-E593 PolarHBondContact O-N 2.82Å; R590-I595 HydrophobicContact CB-CG2 3.7Å; R590-R670 PolarHBondContact NH2-O 2.98Å; R590-G671 PolarHBondContact NH1-O 3.35Å; R590-D709 WeakPolarHBondContact CD-OD1 3.29Å; R590-D709 IonicContact CZ-OD1 3.49Å; R590-D709 IonicContact NH1-OD1 2.92Å; R590-D709 PolarHBondContact NH1-OD1 3.49Å
591	N	98.3	Very high	97.8	Very high	108 Å²	108	53.4 Å²	53.4	58%	0.578	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	32.2	-176.3	-58.2	93.3	0	0	0	113.5	N573 E593	N573-N591 PolarHBondContact ND2-ND2 2.93Å; N573-N591 PolarHBondContact O-N 3.44Å; N591-E593 VanDerWaalsContact C-N 3.3Å; N591-E593 PolarHBondContact O-N 2.83Å
592	G	96.9	Very high	98	Very high	51 Å²	51	52.5 Å²	52.5	53%	0.526	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.9	-8.4	-177.8	0	0	0	0	0	115.1	R590	R590-G592 PolarHBondContact O-N 3.06Å; R590-G592 VanDerWaalsContact O-N 3.1Å
593	E	98.6	Very high	98.2	Very high	140 Å²	140	46.3 Å²	46.3	65%	0.654	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	132.7	172.7	-168	-175	175.7	0	0	110.5	L589 R590 N591 I595	L589-E593 CarbonylContact C-O 3.39Å; L589-E593 WeakPolarHBondContact CA-O 3.42Å; R590-E593 PolarHBondContact N-O 2.98Å; R590-E593 WeakPolarHBondContact O-CB 3.44Å; R590-E593 PolarHBondContact O-N 2.82Å; N591-E593 VanDerWaalsContact C-N 3.3Å; N591-E593 PolarHBondContact O-N 2.83Å; E593-I595 PolarHBondContact O-N 3.44Å
594	R	98.7	Very high	98.3	Very high	101 Å²	101	38.6 Å²	38.6	38%	0.381	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	118.5	-178	-172	-175.4	-170.5	-95.7	5.8	111.6	D587 F588 L589 T596 G597 D621	D587-R594 IonicContact OD1-CZ 3.7Å; D587-R594 IonicContact OD1-NE 2.82Å; D587-R594 PolarHBondContact OD1-NE 3.07Å; D587-R594 IonicContact OD1-NH2 3.31Å; D587-R594 PolarHBondContact OD1-NH2 3.32Å; F588-R594 WeakPolarHBondContact O-CA 3.29Å; L589-R594 HydrophobicContact CD2-CB 3.87Å; L589-R594 HydrophobicContact CD2-CG 4.37Å; R594-T596 WeakPolarHBondContact CG-O 3.39Å; R594-G597 VanDerWaalsContact NH2-CA 3.34Å; R594-D621 IonicContact CZ-OD2 2.59Å; R594-D621 VanDerWaalsContact CZ-OD2 3.24Å; R594-D621 IonicContact NH1-OD2 2.83Å; R594-D621 PolarHBondContact NH1-OD2 2.56Å; R594-D621 IonicContact NH2-OD2 2.91Å; R594-D621 PolarHBondContact NH2-OD2 3.44Å
595	I	98.8	Very high	98.4	Very high	18 Å²	18	38.7 Å²	38.7	9%	0.092	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-33.4	176.5	56.4	166.5	0	0	0	112.5	L574 F588 R590 E593 Y672	L574-I595 HydrophobicContact CD1-CD1 3.8Å; F588-I595 HydrophobicContact CB-CG1 4.16Å; F588-I595 WeakPolarHBondContact O-CG1 3.4Å; F588-I595 PolarHBondContact O-N 3.38Å; R590-I595 HydrophobicContact CB-CG2 3.7Å; E593-I595 PolarHBondContact O-N 3.44Å; I595-Y672 HydrophobicContact CB-CD1 4.18Å; I595-Y672 HydrophobicContact CD1-CD1 4.11Å; I595-Y672 HydrophobicContact CD1-CG 4.03Å; I595-Y672 HydrophobicContact CG1-CD1 4.48Å
596	T	98.9	Very high	98.4	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165	-174.1	171.6	-172.1	0	0	0	0	108.7	F588 R594 D621 Y672	F588-T596 HydrophobicContact CB-CG2 4.1Å; F588-T596 HydrophobicContact CD2-CG2 3.88Å; F588-T596 HydrophobicContact CG-CG2 4.34Å; F588-T596 PolarHBondContact N-O 3.31Å; R594-T596 WeakPolarHBondContact CG-O 3.39Å; T596-D621 PolarHBondContact OG1-N 3.13Å; T596-D621 PolarHBondContact OG1-O 2.6Å; T596-Y672 WeakPolarHBondContact CB-OH 3.31Å; T596-Y672 HydrophobicContact CG2-CD2 4.34Å; T596-Y672 HydrophobicContact CG2-CE1 4.29Å; T596-Y672 HydrophobicContact CG2-CE2 3.7Å
597	G	98.5	Very high	98.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.6	172.7	176.8	0	0	0	0	0	112.7	L586 R594 D621	L586-G597 CarbonylContact O-C 3.54Å; L586-G597 WeakPolarHBondContact O-CA 3.3Å; R594-G597 VanDerWaalsContact NH2-CA 3.34Å; G597-D621 PolarHBondContact O-N 3.26Å
598	S	98.7	Very high	97.9	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	112.2	172.9	-170.8	0	0	0	0	110.2	L586 N603 E618	L586-S598 PolarHBondContact N-O 2.84Å; L586-S598 VanDerWaalsContact N-O 3.13Å; L586-S598 PolarHBondContact O-N 2.7Å; S598-N603 PolarHBondContact OG-ND2 2.82Å; S598-E618 WeakPolarHBondContact CB-OE1 3.28Å; S598-E618 PolarHBondContact OG-OE1 3.42Å
599	Q	97.4	Very high	97.3	Very high	95 Å²	95	45.5 Å²	45.5	44%	0.444	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	152.7	171.2	-63	-178.2	-53.8	0	0	110.4	K601 N602	Q599-K601 PolarHBondContact O-N 3.02Å; Q599-N602 WeakPolarHBondContact CB-ND2 3.47Å; Q599-N602 VanDerWaalsContact O-CB 3.25Å; Q599-N602 WeakPolarHBondContact O-CB 3.21Å; Q599-N602 PolarHBondContact O-N 3.07Å; Q599-N602 PolarHBondContact O-ND2 3.47Å; Q599-N602 VanDerWaalsContact O-ND2 3.08Å
600	V	97.7	Very high	96.3	Very high	65 Å²	65	50.2 Å²	50.2	39%	0.394	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.9	136.2	176	71.9	0	0	0	0	112.8	L486 W584 N602	L486-V600 HydrophobicContact CD2-CG2 3.52Å; W584-V600 HydrophobicContact CB-CB 4.38Å; W584-V600 HydrophobicContact CB-CG2 4.03Å; W584-V600 HydrophobicContact CG-CG2 4.38Å; V600-N602 VanDerWaalsContact C-N 3.28Å; V600-N602 PolarHBondContact O-N 2.96Å; V600-N602 PolarHBondContact O-ND2 3.02Å
601	K	97.9	Very high	95.4	Very high	120 Å²	120	51.4 Å²	51.4	52%	0.522	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	68	10.1	-175.5	-51.8	-179.9	-179.9	180	0	116.6	H484 L486 Q599	H484-K601 PolarHBondContact CE1-O 3.22Å; L486-K601 HydrophobicContact CD2-CG 3.8Å; Q599-K601 PolarHBondContact O-N 3.02Å
602	N	98.5	Very high	94.9	Very high	19 Å²	19	52.4 Å²	52.4	10%	0.102	27%	0.268	C	S	.	.	S	Bend	trans	-99.4	4.9	175.1	-67.8	-77.7	0	0	0	114.1	Q599 V600 F617 E618 R619 K693	Q599-N602 WeakPolarHBondContact CB-ND2 3.47Å; Q599-N602 VanDerWaalsContact O-CB 3.25Å; Q599-N602 WeakPolarHBondContact O-CB 3.21Å; Q599-N602 PolarHBondContact O-N 3.07Å; Q599-N602 PolarHBondContact O-ND2 3.47Å; Q599-N602 VanDerWaalsContact O-ND2 3.08Å; V600-N602 VanDerWaalsContact C-N 3.28Å; V600-N602 PolarHBondContact O-N 2.96Å; V600-N602 PolarHBondContact O-ND2 3.02Å; N602-F617 VanDerWaalsContact C-CE2 3.48Å; N602-F617 WeakPolarHBondContact O-CE2 3.46Å; N602-E618 CarbonylContact O-C 3.51Å; N602-E618 WeakPolarHBondContact O-CA 3.33Å; N602-R619 HydrophobicContact CB-CB 3.98Å; N602-R619 HydrophobicContact CB-CG 4.16Å; N602-R619 VanDerWaalsContact O-CG 3.3Å; N602-R619 WeakPolarHBondContact O-CG 3.31Å; N602-R619 PolarHBondContact O-N 3.17Å; N602-R619 VanDerWaalsContact OD1-CD 3.32Å; N602-R619 WeakPolarHBondContact OD1-CD 3.42Å; N602-R619 PolarHBondContact OD1-NH1 3.02Å; N602-K693 WeakPolarHBondContact OD1-CE 3.22Å
603	N	98.6	Very high	94.5	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.263	C	S	.	.	S	Bend	trans	-134.6	171.6	162.7	49.5	20.7	0	0	0	111	H484 P485 I535 S598 F617 E618	H484-N603 PolarHBondContact ND1-O 2.8Å; P485-N603 VanDerWaalsContact CD-OD1 3.27Å; P485-N603 WeakPolarHBondContact CD-OD1 3.41Å; P485-N603 WeakPolarHBondContact CG-OD1 3.41Å; I535-N603 HydrophobicContact CD1-CB 4.21Å; S598-N603 PolarHBondContact OG-ND2 2.82Å; N603-F617 WeakPolarHBondContact CA-O 3.41Å; N603-F617 VanDerWaalsContact CB-O 3.3Å; N603-F617 WeakPolarHBondContact CB-O 3.38Å; N603-E618 HydrophobicContact CB-CB 4.41Å; N603-E618 WeakPolarHBondContact CB-OE1 3.28Å; N603-E618 PolarHBondContact ND2-OE2 2.73Å
604	G	98	Very high	94.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	136.8	-148.7	171.8	0	0	0	0	0	111.5	I483 M616 F617	I483-G604 WeakPolarHBondContact O-CA 3.48Å; G604-M616 WeakPolarHBondContact O-CA 3.29Å; G604-M616 WeakPolarHBondContact O-CE 3.33Å; G604-M616 VanDerWaalsContact O-SD 3.36Å; G604-F617 PolarHBondContact N-O 3.38Å; G604-F617 VanDerWaalsContact N-O 3.09Å; G604-F617 VanDerWaalsContact O-CD1 3.3Å; G604-F617 WeakPolarHBondContact O-CD1 3.3Å; G604-F617 PolarHBondContact O-N 3.29Å
605	Y	98.6	Very high	94.3	Very high	14 Å²	14	47.5 Å²	47.5	6%	0.055	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	138	-169.5	178.4	-92.8	0	0	0	110.4	L482 I483 H537 Q607 N614 Y615 M616 E701	L482-Y605 WeakPolarHBondContact CA-O 3.48Å; I483-Y605 HydrophobicContact CD1-CD1 4.09Å; I483-Y605 HydrophobicContact CD1-CG 4.45Å; I483-Y605 HydrophobicContact CG1-CD1 4.05Å; I483-Y605 HydrophobicContact CG1-CG 4.39Å; I483-Y605 PolarHBondContact N-O 3.09Å; I483-Y605 VanDerWaalsContact N-O 3.11Å; I483-Y605 PolarHBondContact O-N 2.72Å; H537-Y605 HydrophobicContact CB-CD2 4.03Å; H537-Y605 HydrophobicContact CB-CE2 4.38Å; H537-Y605 AromaticContact CE1-CZ 4Å; H537-Y605 AromaticContact ND1-CD2 3.93Å; H537-Y605 AromaticContact ND1-CE2 3.61Å; H537-Y605 AromaticContact ND1-CZ 3.73Å; Y605-Q607 HydrophobicContact CE1-CB 4.01Å; Y605-N614 HydrophobicContact CE1-CB 4.41Å; Y605-N614 HydrophobicContact CE2-CB 3.71Å; Y605-N614 WeakPolarHBondContact OH-CB 3.46Å; Y605-N614 PolarHBondContact OH-ND2 3.16Å; Y605-N614 PolarHBondContact OH-OD1 2.85Å; Y605-N614 VanDerWaalsContact OH-OD1 3.05Å; Y605-Y615 CarbonylContact C-O 3.47Å; Y605-Y615 WeakPolarHBondContact CA-O 3.45Å; Y605-M616 HydrophobicContact CD2-CG 4.37Å; Y605-M616 HydrophobicContact CD2-SD 3.77Å; Y605-M616 HydrophobicContact CG-SD 4.24Å; Y605-E701 WeakPolarHBondContact CE2-OE2 3.31Å; Y605-E701 PolarHBondContact OH-OE1 2.94Å
606	V	97.7	Very high	94.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	113.9	179	-173.4	0	0	0	0	107.9	M467 I469 L480 L482 N614 Y615 F617	M467-V606 HydrophobicContact CE-CB 3.77Å; M467-V606 HydrophobicContact CE-CG1 3.75Å; M467-V606 HydrophobicContact CE-CG2 3.67Å; I469-V606 HydrophobicContact CD1-CG2 4.12Å; I469-V606 HydrophobicContact CG1-CG2 4.43Å; I469-V606 HydrophobicContact CG2-CG2 4.46Å; L480-V606 HydrophobicContact CB-CG1 4.09Å; L480-V606 HydrophobicContact CD1-CG1 3.98Å; L480-V606 HydrophobicContact CD2-CG1 4.09Å; L480-V606 HydrophobicContact CG-CG1 4.28Å; L482-V606 HydrophobicContact CD2-CB 4.01Å; L482-V606 HydrophobicContact CD2-CG1 3.77Å; L482-V606 HydrophobicContact CD2-CG2 3.62Å; V606-N614 CarbonylContact O-C 3.28Å; V606-N614 VanDerWaalsContact O-CA 3.3Å; V606-N614 WeakPolarHBondContact O-CA 3.47Å; V606-Y615 HydrophobicContact CB-CD2 4.42Å; V606-Y615 HydrophobicContact CG1-CD2 4.48Å; V606-Y615 PolarHBondContact N-O 3.25Å; V606-Y615 PolarHBondContact O-N 2.82Å; V606-F617 HydrophobicContact CG2-CD1 3.59Å; V606-F617 HydrophobicContact CG2-CE1 4.02Å; V606-F617 HydrophobicContact CG2-CG 4.43Å
607	Q	97.4	Very high	94.2	Very high	86 Å²	86	46.7 Å²	46.7	40%	0.402	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	111.8	164.4	172.5	-179	74	0	0	108.3	L480 N481 Y605 T609	L480-Q607 WeakPolarHBondContact CA-O 3.3Å; N481-Q607 HydrophobicContact CB-CB 4.25Å; N481-Q607 PolarHBondContact N-O 2.97Å; N481-Q607 PolarHBondContact ND2-OE1 2.99Å; N481-Q607 PolarHBondContact O-N 3.33Å; Y605-Q607 HydrophobicContact CE1-CB 4.01Å; Q607-T609 HydrophobicContact CG-CG2 4.21Å; Q607-T609 PolarHBondContact O-N 2.98Å
608	D	90.5	Very high	94.3	Very high	20 Å²	20	46.7 Å²	46.7	11%	0.107	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	102.3	175.1	-173.9	-11.2	0	0	0	109.9	L480 N610 N611 Q612 R613 Y615	L480-D608 HydrophobicContact CD2-CB 3.52Å; L480-D608 WeakPolarHBondContact CD2-OD1 3.48Å; D608-N610 PolarHBondContact O-N 3.49Å; D608-N610 WeakPolarHBondContact OD1-CB 3.33Å; D608-N610 PolarHBondContact OD1-N 3.02Å; D608-N610 PolarHBondContact OD1-ND2 2.89Å; D608-N611 VanDerWaalsContact CB-OD1 3.26Å; D608-N611 WeakPolarHBondContact CB-OD1 3.37Å; D608-N611 PolarHBondContact O-OD1 3.09Å; D608-N611 PolarHBondContact OD2-ND2 3.2Å; D608-N611 PolarHBondContact OD2-OD1 2.54Å; D608-Q612 VanDerWaalsContact O-CA 3.32Å; D608-Q612 WeakPolarHBondContact O-CA 3.1Å; D608-Q612 PolarHBondContact O-N 3.27Å; D608-R613 WeakPolarHBondContact CB-O 3.38Å; D608-R613 PolarHBondContact N-O 2.93Å; D608-R613 PolarHBondContact O-N 3.13Å; D608-Y615 HydrophobicContact CB-CD2 4.42Å; D608-Y615 HydrophobicContact CB-CE2 3.86Å
609	T	86.7	Confident	94.3	Very high	73 Å²	73	47.3 Å²	47.3	45%	0.448	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-11.9	-178.8	63	0	0	0	0	113.1	G479 N481 Q607	G479-T609 WeakPolarHBondContact CA-OG1 3.14Å; G479-T609 WeakPolarHBondContact O-CB 3.26Å; G479-T609 PolarHBondContact O-N 2.59Å; G479-T609 PolarHBondContact O-OG1 2.94Å; N481-T609 WeakPolarHBondContact ND2-CG2 3.42Å; Q607-T609 HydrophobicContact CG-CG2 4.21Å; Q607-T609 PolarHBondContact O-N 2.98Å
610	N	76.7	Confident	94.3	Very high	102 Å²	102	42.8 Å²	42.8	55%	0.545	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-39.5	179.5	-52.4	-60.6	0	0	0	111.3	P478 D608	P478-N610 PolarHBondContact O-ND2 2.68Å; D608-N610 PolarHBondContact O-N 3.49Å; D608-N610 WeakPolarHBondContact OD1-CB 3.33Å; D608-N610 PolarHBondContact OD1-N 3.02Å; D608-N610 PolarHBondContact OD1-ND2 2.89Å
611	N	79.6	Confident	94.4	Very high	67 Å²	67	40.4 Å²	40.4	36%	0.358	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-1.8	-175.7	61.2	19	0	0	0	113.8	D608 R613 Y615	D608-N611 VanDerWaalsContact CB-OD1 3.26Å; D608-N611 WeakPolarHBondContact CB-OD1 3.37Å; D608-N611 PolarHBondContact O-OD1 3.09Å; D608-N611 PolarHBondContact OD2-ND2 3.2Å; D608-N611 PolarHBondContact OD2-OD1 2.54Å; N611-R613 HydrophobicContact CB-CG 4.37Å; N611-R613 PolarHBondContact O-N 2.9Å; N611-R613 VanDerWaalsContact OD1-CB 3.3Å; N611-R613 WeakPolarHBondContact OD1-CB 3.19Å; N611-R613 PolarHBondContact OD1-N 3.47Å; N611-Y615 PolarHBondContact ND2-OH 3.21Å
612	Q	88.5	Confident	94.4	Very high	128 Å²	128	35.4 Å²	35.4	60%	0.598	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.1	30	-176.8	-56.7	175.8	28.7	0	0	113.5	D608	D608-Q612 VanDerWaalsContact O-CA 3.32Å; D608-Q612 WeakPolarHBondContact O-CA 3.1Å; D608-Q612 PolarHBondContact O-N 3.27Å
613	R	89	Confident	94.4	Very high	111 Å²	111	36.3 Å²	36.3	42%	0.419	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	155.8	172.9	-60.3	179.6	179.3	-95.1	4.6	110.1	D608 N611 Y615 E699	D608-R613 WeakPolarHBondContact CB-O 3.38Å; D608-R613 PolarHBondContact N-O 2.93Å; D608-R613 PolarHBondContact O-N 3.13Å; N611-R613 HydrophobicContact CB-CG 4.37Å; N611-R613 PolarHBondContact O-N 2.9Å; N611-R613 VanDerWaalsContact OD1-CB 3.3Å; N611-R613 WeakPolarHBondContact OD1-CB 3.19Å; N611-R613 PolarHBondContact OD1-N 3.47Å; R613-Y615 HydrophobicContact CB-CE2 3.73Å; R613-Y615 WeakPolarHBondContact CD-OH 3.37Å; R613-E699 HydrophobicContact CB-CG 4.48Å; R613-E699 WeakPolarHBondContact CD-OE1 3.32Å; R613-E699 VanDerWaalsContact CG-OE1 3.26Å; R613-E699 WeakPolarHBondContact CG-OE1 2.95Å; R613-E699 IonicContact CZ-OE1 3.16Å; R613-E699 IonicContact CZ-OE2 3.71Å; R613-E699 IonicContact NE-OE1 2.74Å; R613-E699 IonicContact NH1-OE1 3.02Å; R613-E699 PolarHBondContact NH1-OE1 3.38Å; R613-E699 IonicContact NH1-OE2 3.78Å; R613-E699 PolarHBondContact NH1-OE2 2.59Å
614	N	94.4	Very high	94.4	Very high	44 Å²	44	43 Å²	43	24%	0.235	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	141	179.7	-54.3	-61.5	0	0	0	110	Y605 V606 E699 S700	Y605-N614 HydrophobicContact CE1-CB 4.41Å; Y605-N614 HydrophobicContact CE2-CB 3.71Å; Y605-N614 WeakPolarHBondContact OH-CB 3.46Å; Y605-N614 PolarHBondContact OH-ND2 3.16Å; Y605-N614 PolarHBondContact OH-OD1 2.85Å; Y605-N614 VanDerWaalsContact OH-OD1 3.05Å; V606-N614 CarbonylContact O-C 3.28Å; V606-N614 VanDerWaalsContact O-CA 3.3Å; V606-N614 WeakPolarHBondContact O-CA 3.47Å; N614-E699 WeakPolarHBondContact O-CA 3.46Å; N614-E699 WeakPolarHBondContact O-CG 3.46Å; N614-S700 PolarHBondContact O-N 3.18Å
615	Y	97.5	Very high	94.4	Very high	35 Å²	35	45.5 Å²	45.5	14%	0.137	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	146.9	-174.9	-49.7	-98.9	0	0	0	110.5	M467 Y605 V606 D608 N611 R613 V698 E699	M467-Y615 VanDerWaalsContact CE-CB 3.49Å; M467-Y615 HydrophobicContact CE-CD1 4.13Å; M467-Y615 HydrophobicContact CE-CD2 3.64Å; M467-Y615 HydrophobicContact CE-CE2 4.4Å; M467-Y615 HydrophobicContact CE-CG 3.49Å; M467-Y615 VanDerWaalsContact CE-CG 3.49Å; M467-Y615 HydrophobicContact SD-CD1 3.8Å; M467-Y615 HydrophobicContact SD-CD2 4.35Å; M467-Y615 HydrophobicContact SD-CE1 4.4Å; M467-Y615 HydrophobicContact SD-CG 3.78Å; Y605-Y615 CarbonylContact C-O 3.47Å; Y605-Y615 WeakPolarHBondContact CA-O 3.45Å; V606-Y615 HydrophobicContact CB-CD2 4.42Å; V606-Y615 HydrophobicContact CG1-CD2 4.48Å; V606-Y615 PolarHBondContact N-O 3.25Å; V606-Y615 PolarHBondContact O-N 2.82Å; D608-Y615 HydrophobicContact CB-CD2 4.42Å; D608-Y615 HydrophobicContact CB-CE2 3.86Å; N611-Y615 PolarHBondContact ND2-OH 3.21Å; R613-Y615 HydrophobicContact CB-CE2 3.73Å; R613-Y615 WeakPolarHBondContact CD-OH 3.37Å; Y615-V698 CarbonylContact C-O 3.55Å; Y615-V698 WeakPolarHBondContact CA-O 3.48Å; Y615-V698 WeakPolarHBondContact CB-O 3.23Å; Y615-E699 HydrophobicContact CD1-CB 3.82Å; Y615-E699 HydrophobicContact CD1-CG 4.42Å; Y615-E699 HydrophobicContact CE1-CB 3.79Å; Y615-E699 HydrophobicContact CE1-CG 4.22Å
616	M	98.5	Very high	94.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	146.9	161.1	-73.2	-68.2	-62.3	0	0	109.2	F519 I535 G604 Y605 S697 V698 S700 L703	F519-M616 HydrophobicContact CD1-CE 4.36Å; F519-M616 HydrophobicContact CE1-CE 4.1Å; F519-M616 HydrophobicContact CE1-SD 4.26Å; I535-M616 HydrophobicContact CB-CE 3.85Å; I535-M616 HydrophobicContact CG2-CE 3.47Å; I535-M616 VanDerWaalsContact CG2-CE 3.47Å; I535-M616 WeakPolarHBondContact O-CE 3.29Å; G604-M616 WeakPolarHBondContact O-CA 3.29Å; G604-M616 WeakPolarHBondContact O-CE 3.33Å; G604-M616 VanDerWaalsContact O-SD 3.36Å; Y605-M616 HydrophobicContact CD2-CG 4.37Å; Y605-M616 HydrophobicContact CD2-SD 3.77Å; Y605-M616 HydrophobicContact CG-SD 4.24Å; M616-S697 VanDerWaalsContact O-CA 3.28Å; M616-S697 WeakPolarHBondContact O-CA 3.32Å; M616-V698 PolarHBondContact N-O 2.98Å; M616-V698 PolarHBondContact O-N 3.04Å; M616-S700 WeakPolarHBondContact CG-O 3.33Å; M616-S700 PolarHBondContact N-O 2.92Å; M616-L703 HydrophobicContact CB-CB 3.53Å; M616-L703 HydrophobicContact CE-CB 4.49Å; M616-L703 HydrophobicContact CG-CB 4.4Å
617	F	98.8	Very high	94.5	Very high	1 Å²	1	45.2 Å²	45.2	0%	0.004	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	156.9	178	82.1	-76.8	0	0	0	112.4	I469 H484 N602 N603 G604 V606 R619 F696 L703	I469-F617 HydrophobicContact CD1-CB 3.58Å; I469-F617 HydrophobicContact CD1-CD1 3.97Å; I469-F617 HydrophobicContact CD1-CD2 3.59Å; I469-F617 HydrophobicContact CD1-CE2 4.26Å; I469-F617 HydrophobicContact CD1-CG 3.42Å; I469-F617 VanDerWaalsContact CD1-CG 3.42Å; H484-F617 AromaticContact CE1-CZ 3.84Å; H484-F617 AromaticContact ND1-CZ 3.92Å; N602-F617 VanDerWaalsContact C-CE2 3.48Å; N602-F617 WeakPolarHBondContact O-CE2 3.46Å; N603-F617 WeakPolarHBondContact CA-O 3.41Å; N603-F617 VanDerWaalsContact CB-O 3.3Å; N603-F617 WeakPolarHBondContact CB-O 3.38Å; G604-F617 PolarHBondContact N-O 3.38Å; G604-F617 VanDerWaalsContact N-O 3.09Å; G604-F617 VanDerWaalsContact O-CD1 3.3Å; G604-F617 WeakPolarHBondContact O-CD1 3.3Å; G604-F617 PolarHBondContact O-N 3.29Å; V606-F617 HydrophobicContact CG2-CD1 3.59Å; V606-F617 HydrophobicContact CG2-CE1 4.02Å; V606-F617 HydrophobicContact CG2-CG 4.43Å; F617-R619 HydrophobicContact CD2-CG 4.1Å; F617-R619 HydrophobicContact CE2-CG 4.18Å; F617-F696 VanDerWaalsContact CA-O 3.31Å; F617-F696 WeakPolarHBondContact CA-O 3.21Å; F617-L703 VanDerWaalsContact C-CD2 3.48Å
618	E	98.8	Very high	94.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	154.1	171.6	177.5	62.2	-82.7	0	0	109	S598 N602 N603 L620 Q695 F696 L703 Y705	S598-E618 WeakPolarHBondContact CB-OE1 3.28Å; S598-E618 PolarHBondContact OG-OE1 3.42Å; N602-E618 CarbonylContact O-C 3.51Å; N602-E618 WeakPolarHBondContact O-CA 3.33Å; N603-E618 HydrophobicContact CB-CB 4.41Å; N603-E618 WeakPolarHBondContact CB-OE1 3.28Å; N603-E618 PolarHBondContact ND2-OE2 2.73Å; E618-L620 HydrophobicContact CG-CD2 3.79Å; E618-L620 HydrophobicContact CG-CG 4.02Å; E618-Q695 VanDerWaalsContact O-CA 3.3Å; E618-Q695 WeakPolarHBondContact O-CA 3.35Å; E618-F696 HydrophobicContact CB-CD2 4.19Å; E618-F696 HydrophobicContact CB-CE1 4.33Å; E618-F696 HydrophobicContact CB-CE2 3.58Å; E618-F696 HydrophobicContact CB-CZ 3.65Å; E618-F696 HydrophobicContact CG-CE1 4.25Å; E618-F696 HydrophobicContact CG-CE2 4.06Å; E618-F696 HydrophobicContact CG-CZ 3.61Å; E618-F696 PolarHBondContact N-O 3.34Å; E618-F696 PolarHBondContact O-N 2.94Å; E618-L703 HydrophobicContact CB-CD2 3.5Å; E618-Y705 HydrophobicContact CB-CE1 4.21Å; E618-Y705 HydrophobicContact CG-CE1 3.8Å; E618-Y705 PolarHBondContact OE2-OH 3.05Å
619	R	98.8	Very high	95	Very high	14 Å²	14	40.1 Å²	40.1	5%	0.053	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	108.1	170	-37.6	171.7	169.3	149.8	-4.9	109.8	N602 F617 E689 K693 V694 Q695	N602-R619 HydrophobicContact CB-CB 3.98Å; N602-R619 HydrophobicContact CB-CG 4.16Å; N602-R619 VanDerWaalsContact O-CG 3.3Å; N602-R619 WeakPolarHBondContact O-CG 3.31Å; N602-R619 PolarHBondContact O-N 3.17Å; N602-R619 VanDerWaalsContact OD1-CD 3.32Å; N602-R619 WeakPolarHBondContact OD1-CD 3.42Å; N602-R619 PolarHBondContact OD1-NH1 3.02Å; F617-R619 HydrophobicContact CD2-CG 4.1Å; F617-R619 HydrophobicContact CE2-CG 4.18Å; R619-E689 IonicContact CZ-OE1 2.77Å; R619-E689 IonicContact NH2-OE1 3.66Å; R619-E689 PolarHBondContact NH2-OE1 3.25Å; R619-K693 HydrophobicContact CB-CB 3.92Å; R619-K693 HydrophobicContact CB-CD 3.63Å; R619-K693 HydrophobicContact CB-CG 4.38Å; R619-V694 VanDerWaalsContact CA-O 3.3Å; R619-V694 WeakPolarHBondContact CA-O 3.41Å; R619-Q695 HydrophobicContact CB-CB 4.29Å; R619-Q695 HydrophobicContact CG-CB 3.75Å; R619-Q695 HydrophobicContact CG-CG 4.13Å; R619-Q695 VanDerWaalsContact CZ-OE1 3.26Å
620	L	98.9	Very high	95.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	133.2	178.1	-61	-177	0	0	0	110.3	F588 E618 Y666 V674 K693 V694 F696 Y705	F588-L620 HydrophobicContact CD2-CD2 4.38Å; F588-L620 HydrophobicContact CE2-CD2 3.74Å; E618-L620 HydrophobicContact CG-CD2 3.79Å; E618-L620 HydrophobicContact CG-CG 4.02Å; L620-Y666 WeakPolarHBondContact CD1-OH 3.31Å; L620-V674 HydrophobicContact CD1-CG1 4.15Å; L620-V674 HydrophobicContact CD1-CG2 3.84Å; L620-K693 CarbonylContact O-C 3.51Å; L620-K693 WeakPolarHBondContact O-CA 3.43Å; L620-K693 WeakPolarHBondContact O-CB 3.4Å; L620-V694 PolarHBondContact N-O 2.83Å; L620-V694 PolarHBondContact O-N 3.14Å; L620-F696 HydrophobicContact CD1-CE1 3.99Å; L620-F696 HydrophobicContact CD1-CZ 4.09Å; L620-F696 HydrophobicContact CG-CE1 4.01Å; L620-F696 HydrophobicContact CG-CZ 4.23Å; L620-Y705 HydrophobicContact CD1-CE2 4.21Å; L620-Y705 HydrophobicContact CD2-CE2 4.44Å
621	D	98.9	Very high	96.6	Very high	15 Å²	15	31.8 Å²	31.8	8%	0.08	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	143.9	-177.3	-70.1	-11	0	0	0	113.4	R594 T596 G597 K693	R594-D621 IonicContact CZ-OD2 2.59Å; R594-D621 VanDerWaalsContact CZ-OD2 3.24Å; R594-D621 IonicContact NH1-OD2 2.83Å; R594-D621 PolarHBondContact NH1-OD2 2.56Å; R594-D621 IonicContact NH2-OD2 2.91Å; R594-D621 PolarHBondContact NH2-OD2 3.44Å; T596-D621 PolarHBondContact OG1-N 3.13Å; T596-D621 PolarHBondContact OG1-O 2.6Å; G597-D621 PolarHBondContact O-N 3.26Å; D621-K693 IonicContact OD1-NZ 2.84Å; D621-K693 PolarHBondContact OD1-NZ 2.77Å
622	L	98.9	Very high	97.5	Very high	14 Å²	14	28.6 Å²	28.6	7%	0.073	16%	0.163	C	C	.	.			trans	-110.1	123.4	164.9	-66.1	170.7	0	0	0	109.1	E626 V628 T668 S692 V694	L622-E626 WeakPolarHBondContact CA-OE2 3.19Å; L622-E626 HydrophobicContact CB-CB 4.28Å; L622-E626 HydrophobicContact CD2-CB 4.26Å; L622-E626 HydrophobicContact CD2-CG 3.73Å; L622-V628 HydrophobicContact CD1-CG2 3.97Å; L622-V628 HydrophobicContact CD2-CG2 3.53Å; L622-V628 HydrophobicContact CG-CG2 4.41Å; L622-T668 HydrophobicContact CD2-CG2 4.37Å; L622-S692 PolarHBondContact N-O 2.6Å; L622-V694 HydrophobicContact CD1-CG2 3.87Å; L622-V694 HydrophobicContact CD2-CG2 3.79Å; L622-V694 HydrophobicContact CG-CG2 3.89Å
623	G	98.4	Very high	98	Very high	38 Å²	38	22.5 Å²	22.5	39%	0.392	14%	0.135	S	C	.	.			trans	-68.5	172.1	173.1	0	0	0	0	0	113.1	G625 E626	G623-G625 PolarHBondContact O-N 3.43Å; G623-E626 PolarHBondContact N-OE2 3.17Å; G623-E626 VanDerWaalsContact O-CB 3.29Å; G623-E626 WeakPolarHBondContact O-CB 3.04Å; G623-E626 PolarHBondContact O-N 3.28Å
624	V	98.7	Very high	98.5	Very high	141 Å²	141	17.7 Å²	17.7	86%	0.855	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	129.2	173.4	179.5	0	0	0	0	109.4	E626 R670	V624-E626 PolarHBondContact O-N 3.39Å; V624-R670 PolarHBondContact O-NH2 2.81Å; V624-R670 VanDerWaalsContact O-NH2 3.13Å
625	G	98	Very high	98.7	Very high	53 Å²	53	15.8 Å²	15.8	55%	0.546	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	6	-177.5	0	0	0	0	0	114.4	G623 T627 N669	G623-G625 PolarHBondContact O-N 3.43Å; G625-T627 PolarHBondContact O-N 3.16Å; G625-N669 PolarHBondContact O-ND2 3.02Å
626	E	98.9	Very high	98.7	Very high	6 Å²	6	15.7 Å²	15.7	3%	0.028	11%	0.109	C	C	.	.			trans	-76.8	123.8	179.6	-170.2	169.9	177.8	0	0	111.6	L622 G623 V624 N641 T668 N669 R670 Y672	L622-E626 WeakPolarHBondContact CA-OE2 3.19Å; L622-E626 HydrophobicContact CB-CB 4.28Å; L622-E626 HydrophobicContact CD2-CB 4.26Å; L622-E626 HydrophobicContact CD2-CG 3.73Å; G623-E626 PolarHBondContact N-OE2 3.17Å; G623-E626 VanDerWaalsContact O-CB 3.29Å; G623-E626 WeakPolarHBondContact O-CB 3.04Å; G623-E626 PolarHBondContact O-N 3.28Å; V624-E626 PolarHBondContact O-N 3.39Å; E626-N641 PolarHBondContact O-ND2 3.05Å; E626-T668 HydrophobicContact CG-CG2 4.3Å; E626-T668 VanDerWaalsContact OE1-CB 3.26Å; E626-T668 WeakPolarHBondContact OE1-CB 3.31Å; E626-T668 VanDerWaalsContact OE1-CG2 3.31Å; E626-T668 WeakPolarHBondContact OE1-CG2 3.36Å; E626-T668 PolarHBondContact OE1-OG1 3.45Å; E626-N669 VanDerWaalsContact CA-OD1 3.3Å; E626-N669 WeakPolarHBondContact CA-OD1 3.4Å; E626-R670 HydrophobicContact CB-CG 4.18Å; E626-R670 VanDerWaalsContact CD-CG 3.49Å; E626-R670 HydrophobicContact CG-CB 4.41Å; E626-R670 HydrophobicContact CG-CG 3.69Å; E626-Y672 WeakPolarHBondContact OE1-CE1 3.32Å; E626-Y672 VanDerWaalsContact OE1-CZ 3.22Å; E626-Y672 PolarHBondContact OE1-OH 3.41Å
627	T	98.9	Very high	98.7	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.006	13%	0.132	C	C	.	.			trans	-113.7	142.6	-178	49.9	0	0	0	0	110.7	G625 Y629 V639 N641 T668 N669 D1068 Y1069	G625-T627 PolarHBondContact O-N 3.16Å; T627-Y629 WeakPolarHBondContact CB-OH 3.45Å; T627-Y629 VanDerWaalsContact O-CE2 3.31Å; T627-Y629 WeakPolarHBondContact O-CE2 3.43Å; T627-Y629 WeakPolarHBondContact OG1-CE2 3.4Å; T627-Y629 VanDerWaalsContact OG1-CZ 3.32Å; T627-Y629 PolarHBondContact OG1-OH 3.37Å; T627-V639 HydrophobicContact CG2-CG1 3.95Å; T627-V639 HydrophobicContact CG2-CG2 4.42Å; T627-N641 WeakPolarHBondContact CA-OD1 3.44Å; T627-T668 WeakPolarHBondContact O-CA 3.47Å; T627-T668 VanDerWaalsContact O-CB 3.25Å; T627-T668 WeakPolarHBondContact O-CB 3.33Å; T627-N669 PolarHBondContact N-OD1 3.44Å; T627-N669 PolarHBondContact O-N 2.87Å; T627-N669 PolarHBondContact OG1-ND2 2.89Å; T627-N669 PolarHBondContact OG1-OD1 2.93Å; T627-D1068 HydrophobicContact CG2-CB 4.44Å; T627-Y1069 HydrophobicContact CG2-CE1 4.41Å; T627-Y1069 HydrophobicContact CG2-CE2 4.2Å; T627-Y1069 WeakPolarHBondContact CG2-OH 3.43Å
628	V	99	Very high	98.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	138.8	-174.5	-176.9	0	0	0	0	111	L622 V639 R640 N641 Y666 T668 V686 V694	L622-V628 HydrophobicContact CD1-CG2 3.97Å; L622-V628 HydrophobicContact CD2-CG2 3.53Å; L622-V628 HydrophobicContact CG-CG2 4.41Å; V628-V639 WeakPolarHBondContact O-CA 3.43Å; V628-R640 HydrophobicContact CB-CB 4.18Å; V628-R640 HydrophobicContact CG1-CB 4.13Å; V628-R640 PolarHBondContact O-N 2.77Å; V628-N641 PolarHBondContact N-OD1 2.92Å; V628-Y666 HydrophobicContact CG1-CD2 3.75Å; V628-Y666 HydrophobicContact CG1-CG 4.01Å; V628-T668 HydrophobicContact CG2-CG2 4.18Å; V628-V686 HydrophobicContact CB-CG1 3.69Å; V628-V686 HydrophobicContact CG1-CG1 3.74Å; V628-V686 HydrophobicContact CG2-CG1 3.74Å; V628-V694 HydrophobicContact CG2-CG2 3.81Å
629	Y	98.9	Very high	98.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	167.5	-176.9	-52.4	-93.2	0	0	0	111.4	T627 L638 V639 Y666 M667 N669 L968 M1058 D1068	T627-Y629 WeakPolarHBondContact CB-OH 3.45Å; T627-Y629 VanDerWaalsContact O-CE2 3.31Å; T627-Y629 WeakPolarHBondContact O-CE2 3.43Å; T627-Y629 WeakPolarHBondContact OG1-CE2 3.4Å; T627-Y629 VanDerWaalsContact OG1-CZ 3.32Å; T627-Y629 PolarHBondContact OG1-OH 3.37Å; Y629-L638 HydrophobicContact CD1-CG 4.28Å; Y629-V639 HydrophobicContact CE1-CG2 3.75Å; Y629-Y666 VanDerWaalsContact O-CA 3.24Å; Y629-Y666 WeakPolarHBondContact O-CA 3.3Å; Y629-Y666 WeakPolarHBondContact O-CB 3.39Å; Y629-M667 PolarHBondContact N-O 3.41Å; Y629-M667 PolarHBondContact O-N 2.96Å; Y629-N669 HydrophobicContact CE2-CB 4.3Å; Y629-L968 HydrophobicContact CD1-CD1 4.14Å; Y629-L968 HydrophobicContact CG-CD1 4.41Å; Y629-M1058 HydrophobicContact CD1-CG 4.23Å; Y629-M1058 HydrophobicContact CD1-SD 4.3Å; Y629-M1058 HydrophobicContact CD2-CE 3.45Å; Y629-M1058 VanDerWaalsContact CD2-CE 3.45Å; Y629-M1058 HydrophobicContact CD2-SD 4.13Å; Y629-M1058 HydrophobicContact CE1-CE 4.26Å; Y629-M1058 HydrophobicContact CE1-CG 3.7Å; Y629-M1058 HydrophobicContact CE1-SD 4.24Å; Y629-M1058 HydrophobicContact CE2-CE 3.16Å; Y629-M1058 HydrophobicContact CE2-CG 4.3Å; Y629-M1058 HydrophobicContact CE2-SD 4.12Å; Y629-M1058 HydrophobicContact CG-CE 4.15Å; Y629-M1058 HydrophobicContact CG-SD 4.23Å; Y629-D1068 WeakPolarHBondContact CE1-O 3.46Å; Y629-D1068 WeakPolarHBondContact OH-CA 3.39Å; Y629-D1068 PolarHBondContact OH-O 3.47Å
630	G	98.8	Very high	98.7	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	93.4	-133.6	179	0	0	0	0	0	112.4	G632 S969	G630-G632 VanDerWaalsContact C-N 3.27Å; G630-G632 PolarHBondContact O-N 3.12Å; G630-S969 WeakPolarHBondContact CA-OG 3.23Å
631	L	98.9	Very high	98.7	Very high	0 Å²	0	21 Å²	21	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	62.6	28.3	-172.1	-58.4	177.7	0	0	0	114.7	R634 R640 V645 I663 F665 F684 V686	L631-R634 WeakPolarHBondContact O-CD 3.47Å; L631-R634 WeakPolarHBondContact O-CG 3.37Å; L631-R634 PolarHBondContact O-NH1 2.93Å; L631-R640 HydrophobicContact CD1-CG 4.19Å; L631-V645 HydrophobicContact CB-CG1 4.1Å; L631-V645 HydrophobicContact CD1-CB 3.91Å; L631-V645 HydrophobicContact CD1-CG1 4.03Å; L631-V645 HydrophobicContact CD1-CG2 4Å; L631-I663 CarbonylContact C-O 3.54Å; L631-I663 VanDerWaalsContact CA-O 3.23Å; L631-I663 WeakPolarHBondContact CA-O 3.48Å; L631-F665 WeakPolarHBondContact CA-O 3.25Å; L631-F665 PolarHBondContact N-O 3.38Å; L631-F684 HydrophobicContact CD1-CB 4.32Å; L631-F684 HydrophobicContact CD1-CD1 4.45Å; L631-F684 HydrophobicContact CD1-CG 4.23Å; L631-F684 HydrophobicContact CD2-CD1 4.08Å; L631-F684 HydrophobicContact CD2-CD2 4.08Å; L631-F684 HydrophobicContact CD2-CE1 3.93Å; L631-F684 HydrophobicContact CD2-CE2 3.91Å; L631-F684 HydrophobicContact CD2-CG 4.16Å; L631-F684 HydrophobicContact CD2-CZ 3.83Å; L631-V686 HydrophobicContact CD1-CG2 3.84Å
632	G	98.8	Very high	98.6	Very high	0 Å²	0	23 Å²	23	0%	0	17%	0.171	C	C	.	.	S	Bend	trans	94.5	-165.3	177.8	0	0	0	0	0	114.4	G630 R634 K661 S965 S969	G630-G632 VanDerWaalsContact C-N 3.27Å; G630-G632 PolarHBondContact O-N 3.12Å; G632-R634 PolarHBondContact O-N 2.87Å; G632-K661 CarbonylContact C-O 3.56Å; G632-K661 VanDerWaalsContact CA-O 3.23Å; G632-K661 WeakPolarHBondContact CA-O 3.47Å; G632-S965 CarbonylContact O-C 3.53Å; G632-S965 VanDerWaalsContact O-CB 3.22Å; G632-S965 WeakPolarHBondContact O-CB 3.27Å; G632-S969 WeakPolarHBondContact CA-OG 3.47Å; G632-S969 PolarHBondContact N-OG 3.42Å
633	E	98.9	Very high	98.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	-79.3	98.4	173.1	-173.4	-174.4	-102.5	0	0	109.3	F635 A659 K661 G946 I966 W974	E633-F635 HydrophobicContact CG-CE1 4.33Å; E633-F635 HydrophobicContact CG-CZ 4.11Å; E633-A659 WeakPolarHBondContact O-CB 3.41Å; E633-K661 HydrophobicContact CB-CB 3.94Å; E633-K661 HydrophobicContact CB-CD 4.17Å; E633-K661 HydrophobicContact CB-CG 4.48Å; E633-K661 VanDerWaalsContact CD-NZ 3.3Å; E633-K661 PolarHBondContact N-O 3.35Å; E633-K661 IonicContact OE1-NZ 3.08Å; E633-K661 PolarHBondContact OE1-NZ 3.21Å; E633-K661 IonicContact OE2-NZ 3.48Å; E633-K661 PolarHBondContact OE2-NZ 3.14Å; E633-G946 WeakPolarHBondContact OE1-CA 3.29Å; E633-I966 HydrophobicContact CB-CB 3.95Å; E633-I966 HydrophobicContact CB-CD1 4.13Å; E633-I966 HydrophobicContact CB-CG1 3.96Å; E633-I966 HydrophobicContact CG-CB 4.31Å; E633-W974 PolarHBondContact OE1-NE1 2.89Å
634	R	98.6	Very high	98.4	Very high	9 Å²	9	24.4 Å²	24.4	3%	0.034	17%	0.171	C	C	.	.			trans	-120	139.5	-177.6	-47.6	-154.9	79.8	79.6	1.4	111.9	L631 G632 E657 N662 G962 S965	L631-R634 WeakPolarHBondContact O-CD 3.47Å; L631-R634 WeakPolarHBondContact O-CG 3.37Å; L631-R634 PolarHBondContact O-NH1 2.93Å; G632-R634 PolarHBondContact O-N 2.87Å; R634-E657 PolarHBondContact NH2-O 2.84Å; R634-N662 PolarHBondContact NH1-OD1 3.02Å; R634-G962 WeakPolarHBondContact O-CA 3.32Å; R634-G962 PolarHBondContact O-N 3.03Å; R634-S965 PolarHBondContact O-OG 3.43Å
635	F	98.4	Very high	98.3	Very high	5 Å²	5	17.8 Å²	17.8	2%	0.022	13%	0.13	C	C	.	.			trans	-97.9	-6.7	-174.9	-50.3	-76.1	0	0	0	114.1	E633 T654 Y660 G946 E958 R961	E633-F635 HydrophobicContact CG-CE1 4.33Å; E633-F635 HydrophobicContact CG-CZ 4.11Å; F635-T654 WeakPolarHBondContact CB-O 3.38Å; F635-T654 HydrophobicContact CD1-CG2 4.28Å; F635-T654 WeakPolarHBondContact CD1-O 3.48Å; F635-T654 HydrophobicContact CE1-CG2 3.65Å; F635-T654 HydrophobicContact CE2-CG2 4.27Å; F635-T654 WeakPolarHBondContact CG-O 3Å; F635-T654 HydrophobicContact CZ-CG2 3.66Å; F635-Y660 HydrophobicContact CE2-CD2 4.3Å; F635-Y660 HydrophobicContact CE2-CE2 4.26Å; F635-Y660 HydrophobicContact CZ-CD2 4.3Å; F635-Y660 HydrophobicContact CZ-CE2 4.24Å; F635-G946 VanDerWaalsContact CZ-O 3.27Å; F635-G946 WeakPolarHBondContact CZ-O 3.48Å; F635-E958 HydrophobicContact CB-CB 4.28Å; F635-E958 HydrophobicContact CB-CG 4.38Å; F635-E958 HydrophobicContact CD1-CG 4.5Å; F635-R961 PolarHBondContact O-NE 2.88Å; F635-R961 PolarHBondContact O-NH2 3.33Å
636	T	97.6	Very high	98.2	Very high	33 Å²	33	17.4 Å²	17.4	20%	0.202	11%	0.114	C	C	.	.	S	Bend	trans	-63.5	-179.5	168.9	60.2	0	0	0	0	111.5	L638 Q643 E657 R961	T636-L638 PolarHBondContact O-N 2.98Å; T636-Q643 PolarHBondContact OG1-OE1 3.49Å; T636-E657 HydrophobicContact CG2-CB 4.37Å; T636-R961 VanDerWaalsContact O-CD 3.25Å; T636-R961 WeakPolarHBondContact O-CD 3.27Å; T636-R961 PolarHBondContact O-NE 3.4Å
637	A	98.5	Very high	98.2	Very high	58 Å²	58	17.1 Å²	17.1	48%	0.479	11%	0.113	S	C	.	.			trans	-52.3	140.9	172.9	0	0	0	0	0	111.5	V639 R640 Q643	A637-V639 VanDerWaalsContact C-N 3.33Å; A637-V639 PolarHBondContact O-N 2.92Å; A637-R640 PolarHBondContact O-NE 2.93Å; A637-R640 VanDerWaalsContact O-NE 3.13Å; A637-R640 PolarHBondContact O-NH2 3.3Å; A637-Q643 PolarHBondContact O-NE2 2.97Å
638	L	98.8	Very high	98.1	Very high	5 Å²	5	18.8 Å²	18.8	3%	0.026	12%	0.119	C	C	.	.	S	Bend	trans	-62.6	-35.8	-173.1	-177.2	67.4	0	0	0	113.1	Y629 T636 R640 L964 L968 A1056 D1071	Y629-L638 HydrophobicContact CD1-CG 4.28Å; T636-L638 PolarHBondContact O-N 2.98Å; L638-R640 VanDerWaalsContact O-CD 3.28Å; L638-R640 WeakPolarHBondContact O-CD 3.42Å; L638-R640 PolarHBondContact O-NE 3.37Å; L638-R640 PolarHBondContact O-NH1 3.42Å; L638-L964 HydrophobicContact CD1-CB 3.79Å; L638-L964 HydrophobicContact CD2-CD1 4.02Å; L638-L968 HydrophobicContact CD1-CD1 4.06Å; L638-A1056 HydrophobicContact CD2-CB 4.45Å; L638-D1071 HydrophobicContact CB-CB 3.96Å; L638-D1071 HydrophobicContact CD2-CB 4.07Å
639	V	98.9	Very high	98	Very high	13 Å²	13	18.9 Å²	18.9	8%	0.079	12%	0.12	C	C	.	.	S	Bend	trans	-83.9	124.7	171.3	174.9	0	0	0	0	108.6	T627 V628 Y629 A637 N641 Q643 D1068 Y1069	T627-V639 HydrophobicContact CG2-CG1 3.95Å; T627-V639 HydrophobicContact CG2-CG2 4.42Å; V628-V639 WeakPolarHBondContact O-CA 3.43Å; Y629-V639 HydrophobicContact CE1-CG2 3.75Å; A637-V639 VanDerWaalsContact C-N 3.33Å; A637-V639 PolarHBondContact O-N 2.92Å; V639-N641 HydrophobicContact CG1-CB 4.07Å; V639-N641 WeakPolarHBondContact CG1-OD1 3.47Å; V639-Q643 PolarHBondContact O-NE2 2.82Å; V639-D1068 WeakPolarHBondContact CG2-O 3.38Å; V639-Y1069 HydrophobicContact CB-CD1 4.04Å; V639-Y1069 HydrophobicContact CB-CE1 3.89Å; V639-Y1069 HydrophobicContact CG1-CE1 3.92Å; V639-Y1069 HydrophobicContact CG2-CD1 3.56Å; V639-Y1069 HydrophobicContact CG2-CE1 3.71Å; V639-Y1069 HydrophobicContact CG2-CG 4.29Å
640	R	98.8	Very high	97.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.134	C	C	.	.			trans	-83.1	-13	-172.7	-85.3	64.4	-118.1	-155.2	-12.9	113.5	V628 L631 A637 L638 G642 Q643 V686 S965	V628-R640 HydrophobicContact CB-CB 4.18Å; V628-R640 HydrophobicContact CG1-CB 4.13Å; V628-R640 PolarHBondContact O-N 2.77Å; L631-R640 HydrophobicContact CD1-CG 4.19Å; A637-R640 PolarHBondContact O-NE 2.93Å; A637-R640 VanDerWaalsContact O-NE 3.13Å; A637-R640 PolarHBondContact O-NH2 3.3Å; L638-R640 VanDerWaalsContact O-CD 3.28Å; L638-R640 WeakPolarHBondContact O-CD 3.42Å; L638-R640 PolarHBondContact O-NE 3.37Å; L638-R640 PolarHBondContact O-NH1 3.42Å; R640-G642 PolarHBondContact O-N 3.49Å; R640-Q643 WeakPolarHBondContact O-CB 3.19Å; R640-Q643 WeakPolarHBondContact O-CG 3.49Å; R640-Q643 PolarHBondContact O-N 2.87Å; R640-V686 HydrophobicContact CB-CB 4.32Å; R640-V686 HydrophobicContact CB-CG1 3.93Å; R640-V686 HydrophobicContact CB-CG2 4.37Å; R640-V686 WeakPolarHBondContact O-CB 3.22Å; R640-S965 PolarHBondContact NH1-OG 3.12Å; R640-S965 PolarHBondContact NH2-OG 3.38Å
641	N	98.7	Very high	97.3	Very high	51 Å²	51	23.9 Å²	23.9	27%	0.273	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	130.6	177	-59.1	51.8	0	0	0	110.9	E626 T627 V628 V639 V686	E626-N641 PolarHBondContact O-ND2 3.05Å; T627-N641 WeakPolarHBondContact CA-OD1 3.44Å; V628-N641 PolarHBondContact N-OD1 2.92Å; V639-N641 HydrophobicContact CG1-CB 4.07Å; V639-N641 WeakPolarHBondContact CG1-OD1 3.47Å; N641-V686 CarbonylContact C-O 3.56Å; N641-V686 WeakPolarHBondContact CA-O 3.28Å
642	G	96.7	Very high	96.7	Very high	55 Å²	55	25 Å²	25	57%	0.567	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.8	-1.5	-173.7	0	0	0	0	0	114.8	R640 V686	R640-G642 PolarHBondContact O-N 3.49Å; G642-V686 PolarHBondContact N-O 2.76Å
643	Q	97.8	Very high	96.3	Very high	30 Å²	30	26 Å²	26	14%	0.14	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	137.4	-177.1	-53.9	-178.2	36.9	0	0	112.2	T636 A637 V639 R640 V645 V686 S688	T636-Q643 PolarHBondContact OG1-OE1 3.49Å; A637-Q643 PolarHBondContact O-NE2 2.97Å; V639-Q643 PolarHBondContact O-NE2 2.82Å; R640-Q643 WeakPolarHBondContact O-CB 3.19Å; R640-Q643 WeakPolarHBondContact O-CG 3.49Å; R640-Q643 PolarHBondContact O-N 2.87Å; Q643-V645 HydrophobicContact CB-CG2 4.39Å; Q643-V686 PolarHBondContact N-O 3.11Å; Q643-V686 WeakPolarHBondContact O-CB 3.48Å; Q643-V686 PolarHBondContact O-N 2.86Å; Q643-S688 PolarHBondContact O-OG 2.89Å
644	T	96.3	Very high	96.2	Very high	53 Å²	53	26 Å²	26	33%	0.325	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	137.1	157.2	-55.3	0	0	0	0	108.6	A466 K468 F684 E685	A466-T644 HydrophobicContact CB-CG2 3.48Å; A466-T644 VanDerWaalsContact CB-CG2 3.48Å; K468-T644 PolarHBondContact NZ-OG1 3.38Å; T644-F684 CarbonylContact C-O 3.56Å; T644-F684 VanDerWaalsContact CA-O 3.24Å; T644-F684 WeakPolarHBondContact CA-O 3.48Å; T644-F684 WeakPolarHBondContact CG2-O 3.4Å; T644-E685 WeakPolarHBondContact CG2-OE1 3.37Å; T644-E685 VanDerWaalsContact OG1-CD 3.3Å; T644-E685 PolarHBondContact OG1-OE1 2.83Å; T644-E685 PolarHBondContact OG1-OE2 2.97Å
645	V	96	Very high	95.9	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.012	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	119.7	176.7	172.5	0	0	0	0	110.6	L631 Q643 T647 F684	L631-V645 HydrophobicContact CB-CG1 4.1Å; L631-V645 HydrophobicContact CD1-CB 3.91Å; L631-V645 HydrophobicContact CD1-CG1 4.03Å; L631-V645 HydrophobicContact CD1-CG2 4Å; Q643-V645 HydrophobicContact CB-CG2 4.39Å; V645-T647 HydrophobicContact CG1-CG2 4.49Å; V645-F684 HydrophobicContact CB-CB 4.22Å; V645-F684 PolarHBondContact N-O 3Å; V645-F684 WeakPolarHBondContact O-CB 3.1Å; V645-F684 PolarHBondContact O-N 2.87Å
646	E	96.2	Very high	95.4	Very high	44 Å²	44	30.6 Å²	30.6	21%	0.206	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	120.2	170.1	-60	-58.9	156.4	0	0	109.5	A466 W648 N662 C681 S683	A466-E646 WeakPolarHBondContact CA-OE1 3.39Å; E646-W648 VanDerWaalsContact C-N 3.29Å; E646-W648 PolarHBondContact O-N 3.4Å; E646-N662 PolarHBondContact O-OD1 3.26Å; E646-C681 PolarHBondContact OE2-SG 2.9Å; E646-S683 WeakPolarHBondContact OE1-CB 3.46Å; E646-S683 PolarHBondContact OE1-OG 3.33Å; E646-S683 WeakPolarHBondContact OE2-CA 3.33Å; E646-S683 VanDerWaalsContact OE2-CB 3.25Å; E646-S683 WeakPolarHBondContact OE2-CB 3.3Å
647	T	98.4	Very high	94.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.21	C	C	.	.			trans	-82.2	77.4	177.5	48.2	0	0	0	0	111.1	V645 N662 P664 V682 F684 N904	V645-T647 HydrophobicContact CG1-CG2 4.49Å; T647-N662 HydrophobicContact CG2-CB 4.36Å; T647-P664 HydrophobicContact CG2-CB 4.12Å; T647-V682 PolarHBondContact N-O 2.85Å; T647-V682 WeakPolarHBondContact OG1-CA 3.46Å; T647-V682 WeakPolarHBondContact OG1-CB 3.26Å; T647-V682 PolarHBondContact OG1-N 3.26Å; T647-V682 PolarHBondContact OG1-O 3.08Å; T647-F684 HydrophobicContact CG2-CD2 4.04Å; T647-F684 HydrophobicContact CG2-CE2 3.79Å; T647-N904 PolarHBondContact O-ND2 2.93Å
648	W	97.4	Very high	94.5	Very high	37 Å²	37	34.4 Å²	34.4	14%	0.14	20%	0.2	C	C	.	.			trans	-142.7	116.4	-175.8	-167.1	-97.9	0	0	0	110.5	E646 R650 N662 C681 T889 Q900 H903 N904	E646-W648 VanDerWaalsContact C-N 3.29Å; E646-W648 PolarHBondContact O-N 3.4Å; W648-R650 VanDerWaalsContact CD1-CZ 3.47Å; W648-R650 PolarHBondContact O-N 2.97Å; W648-N662 PolarHBondContact O-ND2 3.28Å; W648-C681 HydrophobicContact CD2-CB 4.35Å; W648-C681 HydrophobicContact CE3-CB 3.59Å; W648-C681 HydrophobicContact CZ3-CB 4.07Å; W648-T889 HydrophobicContact CH2-CG2 3.74Å; W648-T889 HydrophobicContact CZ2-CG2 3.89Å; W648-Q900 WeakPolarHBondContact CZ3-O 3.37Å; W648-H903 AromaticContact CD1-CE1 3.76Å; W648-H903 AromaticContact CD1-NE2 3.31Å; W648-H903 VanDerWaalsContact CD1-NE2 3.31Å; W648-H903 AromaticContact CD2-CD2 3.17Å; W648-H903 AromaticContact CD2-CG 3.83Å; W648-H903 AromaticContact CD2-NE2 3.33Å; W648-H903 VanDerWaalsContact CD2-NE2 3.33Å; W648-H903 AromaticContact CE2-CD2 3.18Å; W648-H903 AromaticContact CE2-CE1 3.36Å; W648-H903 AromaticContact CE2-CG 3.39Å; W648-H903 AromaticContact CE2-ND1 3.48Å; W648-H903 AromaticContact CE2-NE2 3.17Å; W648-H903 HydrophobicContact CE3-CB 4.34Å; W648-H903 AromaticContact CE3-CD2 3.31Å; W648-H903 AromaticContact CE3-CG 3.9Å; W648-H903 AromaticContact CE3-NE2 3.98Å; W648-H903 AromaticContact CG-CD2 3.82Å; W648-H903 AromaticContact CG-NE2 3.5Å; W648-H903 HydrophobicContact CH2-CB 3.19Å; W648-H903 AromaticContact CH2-CD2 3.57Å; W648-H903 AromaticContact CH2-CG 3.22Å; W648-H903 AromaticContact CH2-ND1 3.88Å; W648-H903 HydrophobicContact CZ2-CB 3.6Å; W648-H903 AromaticContact CZ2-CD2 3.41Å; W648-H903 VanDerWaalsContact CZ2-CD2 3.41Å; W648-H903 WeakPolarHBondContact CZ2-CD2 3.49Å; W648-H903 AromaticContact CZ2-CE1 3.68Å; W648-H903 AromaticContact CZ2-CG 3.09Å; W648-H903 AromaticContact CZ2-ND1 3.26Å; W648-H903 VanDerWaalsContact CZ2-ND1 3.26Å; W648-H903 WeakPolarHBondContact CZ2-ND1 3.41Å; W648-H903 AromaticContact CZ2-NE2 3.77Å; W648-H903 HydrophobicContact CZ3-CB 3.6Å; W648-H903 AromaticContact CZ3-CD2 3.51Å; W648-H903 AromaticContact CZ3-CG 3.62Å; W648-H903 AromaticContact NE1-CD2 3.7Å; W648-H903 AromaticContact NE1-CE1 3.18Å; W648-H903 PolarHBondContact NE1-CE1 3.01Å; W648-H903 AromaticContact NE1-ND1 3.73Å; W648-H903 AromaticContact NE1-NE2 3.14Å; W648-H903 PolarHBondContact NE1-NE2 3.09Å; W648-H903 VanDerWaalsContact NE1-NE2 3.14Å; W648-N904 WeakPolarHBondContact CA-OD1 3.23Å
649	N	97.8	Very high	94.4	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	20%	0.199	C	C	.	.			trans	-61.5	126.3	-176.4	-74.4	-7.4	0	0	0	111.3	Y660 N662 E885 H903 N904 S933 A934	N649-Y660 VanDerWaalsContact CG-O 3.26Å; N649-Y660 PolarHBondContact OD1-O 3.16Å; N649-N662 VanDerWaalsContact CA-ND2 3.34Å; N649-N662 WeakPolarHBondContact CA-ND2 3.36Å; N649-N662 PolarHBondContact N-ND2 3.34Å; N649-N662 WeakPolarHBondContact OD1-CB 3.35Å; N649-N662 PolarHBondContact OD1-N 2.84Å; N649-N662 PolarHBondContact OD1-ND2 3.37Å; N649-E885 HydrophobicContact CB-CB 4Å; N649-E885 HydrophobicContact CB-CG 4.48Å; N649-H903 PolarHBondContact N-NE2 3.47Å; N649-H903 PolarHBondContact O-CE1 3.4Å; N649-H903 VanDerWaalsContact O-CE1 3.26Å; N649-H903 PolarHBondContact O-NE2 3.11Å; N649-N904 PolarHBondContact N-OD1 3.39Å; N649-S933 PolarHBondContact ND2-OG 3.26Å; N649-S933 VanDerWaalsContact ND2-OG 3.16Å; N649-A934 PolarHBondContact ND2-O 2.7Å
650	R	90	Very high	94.4	Very high	80 Å²	80	33.6 Å²	33.6	30%	0.302	20%	0.195	S	C	.	.			trans	-141.1	140	178.7	-66.9	-176.4	179.1	103.7	-2.3	110.3	W648 G652 Q658 A659 Y660	W648-R650 VanDerWaalsContact CD1-CZ 3.47Å; W648-R650 PolarHBondContact O-N 2.97Å; R650-G652 PolarHBondContact O-N 3.07Å; R650-Q658 HydrophobicContact CB-CB 4.17Å; R650-Q658 VanDerWaalsContact CD-CD 3.49Å; R650-A659 PolarHBondContact N-O 3.09Å; R650-A659 CarbonylContact O-C 3.42Å; R650-Y660 PolarHBondContact O-N 3.23Å
651	D	91.7	Very high	94.4	Very high	26 Å²	26	33.6 Å²	33.6	14%	0.139	20%	0.195	C	C	.	.			trans	-83.7	94.7	164.9	169.1	20.5	0	0	0	108.1	Y660 R886 R932	D651-Y660 HydrophobicContact CB-CE1 4.32Å; D651-R886 HydrophobicContact CB-CG 4.14Å; D651-R886 PolarHBondContact O-NH2 3.23Å; D651-R886 IonicContact OD1-NH2 3.91Å; D651-R886 IonicContact OD2-CZ 3.38Å; D651-R886 IonicContact OD2-NE 3.7Å; D651-R886 IonicContact OD2-NH1 2.6Å; D651-R886 PolarHBondContact OD2-NH1 2.95Å; D651-R886 IonicContact OD2-NH2 2.77Å; D651-R886 PolarHBondContact OD2-NH2 3.21Å; D651-R932 IonicContact OD2-NH2 2.77Å
652	G	86.4	Confident	94.4	Very high	24 Å²	24	31.3 Å²	31.3	25%	0.247	18%	0.183	C	C	.	.			trans	-130.4	12.7	-172.1	0	0	0	0	0	114.8	R650 T656	R650-G652 PolarHBondContact O-N 3.07Å; G652-T656 PolarHBondContact O-OG1 2.67Å
653	G	91.7	Very high	94.5	Very high	20 Å²	20	28.7 Å²	28.7	21%	0.206	16%	0.156	C	C	.	.			trans	74.7	-170.1	-171	0	0	0	0	0	112.6	Y660	G653-Y660 VanDerWaalsContact C-OH 3.31Å; G653-Y660 WeakPolarHBondContact CA-OH 3.34Å; G653-Y660 PolarHBondContact N-OH 3.14Å; G653-Y660 WeakPolarHBondContact O-CE2 3.43Å
654	T	96	Very high	94.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	-101.4	6.2	174.2	65.5	0	0	0	0	113.9	F635 Y660 G946 D948 C949 E958	F635-T654 WeakPolarHBondContact CB-O 3.38Å; F635-T654 HydrophobicContact CD1-CG2 4.28Å; F635-T654 WeakPolarHBondContact CD1-O 3.48Å; F635-T654 HydrophobicContact CE1-CG2 3.65Å; F635-T654 HydrophobicContact CE2-CG2 4.27Å; F635-T654 WeakPolarHBondContact CG-O 3Å; F635-T654 HydrophobicContact CZ-CG2 3.66Å; T654-Y660 HydrophobicContact CG2-CE2 4.37Å; T654-G946 WeakPolarHBondContact CG2-O 3.26Å; T654-D948 PolarHBondContact N-O 2.93Å; T654-C949 HydrophobicContact CG2-CB 4.01Å; T654-C949 VanDerWaalsContact OG1-CA 3.29Å; T654-C949 WeakPolarHBondContact OG1-CA 2.99Å; T654-C949 WeakPolarHBondContact OG1-CB 3.37Å; T654-E958 VanDerWaalsContact O-CG 3.23Å; T654-E958 WeakPolarHBondContact O-CG 3.35Å; T654-E958 VanDerWaalsContact O-OE1 3.09Å; T654-E958 PolarHBondContact OG1-OE1 3.09Å
655	S	92.8	Very high	94.7	Very high	58 Å²	58	24.7 Å²	24.7	41%	0.406	13%	0.134	S	C	.	.	S	Bend	trans	-116.3	20.3	-166.1	-45	0	0	0	0	113.9	E958	S655-E958 PolarHBondContact OG-OE1 3.36Å
656	T	86.8	Confident	94.8	Very high	53 Å²	53	24.6 Å²	24.6	33%	0.325	13%	0.133	S	C	.	.	S	Bend	trans	-133.3	179.7	-176.3	69.5	0	0	0	0	112	G652 Q658	G652-T656 PolarHBondContact O-OG1 2.67Å; T656-Q658 PolarHBondContact O-N 3.24Å; T656-Q658 WeakPolarHBondContact OG1-CB 3.46Å; T656-Q658 PolarHBondContact OG1-N 3.15Å
657	E	86.5	Confident	94.9	Very high	115 Å²	115	22.5 Å²	22.5	54%	0.537	12%	0.123	S	C	.	.	S	Bend	trans	-70.6	-14.4	171.1	80.5	-64.3	162.4	0	0	113.5	R634 T636	R634-E657 PolarHBondContact NH2-O 2.84Å; T636-E657 HydrophobicContact CG2-CB 4.37Å
658	Q	91	Very high	95	Very high	56 Å²	56	22.5 Å²	22.5	26%	0.262	12%	0.123	S	C	.	.			trans	-75.4	167.1	-179.5	-55.4	-172.8	6	0	0	111.7	R650 T656	R650-Q658 HydrophobicContact CB-CB 4.17Å; R650-Q658 VanDerWaalsContact CD-CD 3.49Å; T656-Q658 PolarHBondContact O-N 3.24Å; T656-Q658 WeakPolarHBondContact OG1-CB 3.46Å; T656-Q658 PolarHBondContact OG1-N 3.15Å
659	A	96.2	Very high	95	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.008	13%	0.125	C	C	.	.			trans	-149.5	142.8	179.5	0	0	0	0	0	111.2	E633 R650 K661 N662	E633-A659 WeakPolarHBondContact O-CB 3.41Å; R650-A659 PolarHBondContact N-O 3.09Å; R650-A659 CarbonylContact O-C 3.42Å; A659-K661 VanDerWaalsContact C-N 3.31Å; A659-N662 PolarHBondContact O-ND2 3.4Å
660	Y	98.5	Very high	95.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	-72.5	-27.3	170.8	-50.6	-84.3	0	0	0	112.5	F635 N649 R650 D651 G653 T654 E885 R932 S933 D948	F635-Y660 HydrophobicContact CE2-CD2 4.3Å; F635-Y660 HydrophobicContact CE2-CE2 4.26Å; F635-Y660 HydrophobicContact CZ-CD2 4.3Å; F635-Y660 HydrophobicContact CZ-CE2 4.24Å; N649-Y660 VanDerWaalsContact CG-O 3.26Å; N649-Y660 PolarHBondContact OD1-O 3.16Å; R650-Y660 PolarHBondContact O-N 3.23Å; D651-Y660 HydrophobicContact CB-CE1 4.32Å; G653-Y660 VanDerWaalsContact C-OH 3.31Å; G653-Y660 WeakPolarHBondContact CA-OH 3.34Å; G653-Y660 PolarHBondContact N-OH 3.14Å; G653-Y660 WeakPolarHBondContact O-CE2 3.43Å; T654-Y660 HydrophobicContact CG2-CE2 4.37Å; Y660-E885 HydrophobicContact CD1-CG 4.02Å; Y660-R932 WeakPolarHBondContact CB-O 3.35Å; Y660-R932 HydrophobicContact CD1-CG 3.94Å; Y660-R932 HydrophobicContact CE1-CG 4.31Å; Y660-R932 HydrophobicContact CG-CG 4.09Å; Y660-S933 WeakPolarHBondContact O-CA 3.21Å; Y660-S933 PolarHBondContact O-OG 3.39Å; Y660-D948 PolarHBondContact OH-N 3.22Å
661	K	98.9	Very high	95.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.133	C	C	.	.	B	Isolated β-bridge	trans	-129.8	81.4	-167.6	-56	177.1	-163.3	60.1	0	110.2	G632 E633 A659 A931 R932 A934 H944 W945 I966	G632-K661 CarbonylContact C-O 3.56Å; G632-K661 VanDerWaalsContact CA-O 3.23Å; G632-K661 WeakPolarHBondContact CA-O 3.47Å; E633-K661 HydrophobicContact CB-CB 3.94Å; E633-K661 HydrophobicContact CB-CD 4.17Å; E633-K661 HydrophobicContact CB-CG 4.48Å; E633-K661 VanDerWaalsContact CD-NZ 3.3Å; E633-K661 PolarHBondContact N-O 3.35Å; E633-K661 IonicContact OE1-NZ 3.08Å; E633-K661 PolarHBondContact OE1-NZ 3.21Å; E633-K661 IonicContact OE2-NZ 3.48Å; E633-K661 PolarHBondContact OE2-NZ 3.14Å; A659-K661 VanDerWaalsContact C-N 3.31Å; K661-A931 WeakPolarHBondContact CE-O 3.45Å; K661-R932 WeakPolarHBondContact CE-O 3.38Å; K661-R932 VanDerWaalsContact CG-O 3.27Å; K661-R932 WeakPolarHBondContact CG-O 3.48Å; K661-R932 PolarHBondContact NZ-O 3.49Å; K661-A934 HydrophobicContact CB-CB 3.88Å; K661-A934 HydrophobicContact CD-CB 4.17Å; K661-A934 HydrophobicContact CG-CB 3.78Å; K661-H944 HydrophobicContact CD-CB 4.31Å; K661-W945 WeakPolarHBondContact CE-O 3.38Å; K661-W945 PolarHBondContact NZ-O 3.43Å; K661-I966 HydrophobicContact CD-CD1 3.45Å; K661-I966 VanDerWaalsContact CD-CD1 3.45Å
662	N	98.8	Very high	95.8	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.011	13%	0.126	C	C	.	.			trans	-90	137	179.4	-65.5	-94.1	0	0	0	110.8	R634 E646 T647 W648 N649 A659	R634-N662 PolarHBondContact NH1-OD1 3.02Å; E646-N662 PolarHBondContact O-OD1 3.26Å; T647-N662 HydrophobicContact CG2-CB 4.36Å; W648-N662 PolarHBondContact O-ND2 3.28Å; N649-N662 VanDerWaalsContact CA-ND2 3.34Å; N649-N662 WeakPolarHBondContact CA-ND2 3.36Å; N649-N662 PolarHBondContact N-ND2 3.34Å; N649-N662 WeakPolarHBondContact OD1-CB 3.35Å; N649-N662 PolarHBondContact OD1-N 2.84Å; N649-N662 PolarHBondContact OD1-ND2 3.37Å; A659-N662 PolarHBondContact O-ND2 3.4Å
663	I	98.9	Very high	96.4	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.115	C	C	.	.			trans	-134.4	120.6	178.2	-51.1	-66.7	0	0	0	106.6	L631 F665 Y720 S935 V936 F971	L631-I663 CarbonylContact C-O 3.54Å; L631-I663 VanDerWaalsContact CA-O 3.23Å; L631-I663 WeakPolarHBondContact CA-O 3.48Å; I663-F665 HydrophobicContact CG2-CB 3.72Å; I663-F665 PolarHBondContact O-N 3.43Å; I663-Y720 VanDerWaalsContact CG2-OH 3.27Å; I663-Y720 WeakPolarHBondContact CG2-OH 3.23Å; I663-S935 VanDerWaalsContact CD1-C 3.44Å; I663-V936 HydrophobicContact CG2-CG2 3.95Å; I663-F971 HydrophobicContact CD1-CE2 3.64Å; I663-F971 HydrophobicContact CD1-CZ 3.79Å; I663-F971 HydrophobicContact CG1-CE2 3.83Å; I663-F971 HydrophobicContact CG1-CZ 4.43Å
664	P	98.9	Very high	96.8	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	-78	43.9	176.5	35.3	-38.3	0	0	0	112.1	Y548 T647 L675 V676 V682 F684 V936	Y548-P664 HydrophobicContact CE2-CG 3.83Å; Y548-P664 WeakPolarHBondContact OH-CD 3.24Å; Y548-P664 WeakPolarHBondContact OH-CG 3.42Å; T647-P664 HydrophobicContact CG2-CB 4.12Å; P664-L675 HydrophobicContact CG-CD1 4.21Å; P664-V676 HydrophobicContact CB-CB 4.25Å; P664-V676 VanDerWaalsContact CG-O 3.28Å; P664-V676 WeakPolarHBondContact CG-O 3.38Å; P664-V676 PolarHBondContact O-N 3.49Å; P664-V682 HydrophobicContact CB-CG2 4.32Å; P664-F684 HydrophobicContact CB-CE2 3.9Å; P664-F684 HydrophobicContact CB-CZ 4.01Å; P664-V936 HydrophobicContact CG-CG2 4.26Å
665	F	99	Very high	96.9	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	127.9	175.1	169.6	-100.2	0	0	0	109.4	L631 I663 M667 V674 L675 I708 V716 L717 Y720 L968	L631-F665 WeakPolarHBondContact CA-O 3.25Å; L631-F665 PolarHBondContact N-O 3.38Å; I663-F665 HydrophobicContact CG2-CB 3.72Å; I663-F665 PolarHBondContact O-N 3.43Å; F665-M667 HydrophobicContact CE1-CB 4.32Å; F665-M667 HydrophobicContact CE1-SD 4.39Å; F665-M667 HydrophobicContact CZ-CB 4.07Å; F665-V674 VanDerWaalsContact CA-O 3.28Å; F665-V674 WeakPolarHBondContact CA-O 3.5Å; F665-V674 WeakPolarHBondContact CD2-O 3.47Å; F665-L675 HydrophobicContact CB-CD1 4.2Å; F665-L675 HydrophobicContact CD2-CB 4.19Å; F665-I708 HydrophobicContact CD2-CD1 4.41Å; F665-I708 HydrophobicContact CE2-CD1 4.06Å; F665-V716 HydrophobicContact CE2-CG1 4.34Å; F665-V716 HydrophobicContact CZ-CG1 3.88Å; F665-L717 HydrophobicContact CE1-CD2 3.97Å; F665-L717 HydrophobicContact CZ-CD2 4.35Å; F665-Y720 HydrophobicContact CB-CE2 3.77Å; F665-Y720 HydrophobicContact CD1-CD1 4.49Å; F665-Y720 HydrophobicContact CD1-CD2 4.39Å; F665-Y720 HydrophobicContact CD1-CE1 4.36Å; F665-Y720 HydrophobicContact CD1-CE2 4.24Å; F665-Y720 AromaticContact CD2-CD2 3.46Å; F665-Y720 HydrophobicContact CD2-CD2 3.46Å; F665-Y720 VanDerWaalsContact CD2-CD2 3.46Å; F665-Y720 AromaticContact CD2-CE2 3.58Å; F665-Y720 HydrophobicContact CD2-CE2 3.58Å; F665-Y720 HydrophobicContact CD2-CG 4.14Å; F665-Y720 HydrophobicContact CE1-CD1 4.41Å; F665-Y720 HydrophobicContact CE1-CG 4.33Å; F665-Y720 AromaticContact CE2-CD2 3.64Å; F665-Y720 HydrophobicContact CE2-CD2 3.64Å; F665-Y720 HydrophobicContact CE2-CE2 4.23Å; F665-Y720 AromaticContact CE2-CG 3.95Å; F665-Y720 HydrophobicContact CE2-CG 3.95Å; F665-Y720 AromaticContact CG-CD2 3.86Å; F665-Y720 HydrophobicContact CG-CD2 3.86Å; F665-Y720 HydrophobicContact CG-CE1 4.47Å; F665-Y720 AromaticContact CG-CE2 3.58Å; F665-Y720 HydrophobicContact CG-CE2 3.58Å; F665-Y720 HydrophobicContact CG-CG 4.41Å; F665-Y720 AromaticContact CG-CZ 3.93Å; F665-Y720 HydrophobicContact CZ-CD2 4.19Å; F665-Y720 HydrophobicContact CZ-CG 4.05Å; F665-L968 WeakPolarHBondContact CE1-O 2.98Å
666	Y	98.9	Very high	97.2	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	160	168.9	74.7	-95.5	0	0	0	110.7	L620 V628 Y629 T668 Y672 G673 V674 F684 V694 F696	L620-Y666 WeakPolarHBondContact CD1-OH 3.31Å; V628-Y666 HydrophobicContact CG1-CD2 3.75Å; V628-Y666 HydrophobicContact CG1-CG 4.01Å; Y629-Y666 VanDerWaalsContact O-CA 3.24Å; Y629-Y666 WeakPolarHBondContact O-CA 3.3Å; Y629-Y666 WeakPolarHBondContact O-CB 3.39Å; Y666-T668 HydrophobicContact CD2-CG2 4.04Å; Y666-T668 HydrophobicContact CE2-CG2 3.91Å; Y666-Y672 HydrophobicContact CE2-CE2 4.38Å; Y666-G673 CarbonylContact O-C 3.5Å; Y666-G673 WeakPolarHBondContact O-CA 3.21Å; Y666-V674 HydrophobicContact CD1-CB 4.09Å; Y666-V674 HydrophobicContact CE1-CB 3.53Å; Y666-V674 HydrophobicContact CE1-CG1 4.04Å; Y666-V674 HydrophobicContact CE1-CG2 4.05Å; Y666-V674 HydrophobicContact CE2-CB 4.26Å; Y666-V674 HydrophobicContact CE2-CG2 4.07Å; Y666-V674 PolarHBondContact N-O 3.35Å; Y666-V674 PolarHBondContact O-N 2.95Å; Y666-V674 WeakPolarHBondContact OH-CG2 3.26Å; Y666-F684 HydrophobicContact CD1-CE1 4.02Å; Y666-F684 HydrophobicContact CE1-CE1 4.37Å; Y666-V694 HydrophobicContact CD1-CG1 4.1Å; Y666-V694 HydrophobicContact CE1-CB 4.23Å; Y666-V694 HydrophobicContact CE1-CG1 3.64Å; Y666-V694 HydrophobicContact CE2-CG2 4.08Å; Y666-F696 HydrophobicContact CE1-CE1 4.42Å
667	M	98.9	Very high	97.8	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	161.9	170.7	64.6	-172.8	-57.2	0	0	110.8	Y629 F665 Y672 P713 V716 L717 L968	Y629-M667 PolarHBondContact N-O 3.41Å; Y629-M667 PolarHBondContact O-N 2.96Å; F665-M667 HydrophobicContact CE1-CB 4.32Å; F665-M667 HydrophobicContact CE1-SD 4.39Å; F665-M667 HydrophobicContact CZ-CB 4.07Å; M667-Y672 WeakPolarHBondContact CA-O 3.47Å; M667-P713 HydrophobicContact CE-CB 3.41Å; M667-P713 VanDerWaalsContact CE-CB 3.41Å; M667-P713 HydrophobicContact CE-CG 4.28Å; M667-P713 WeakPolarHBondContact CE-O 3.37Å; M667-V716 HydrophobicContact CB-CG1 4.32Å; M667-V716 HydrophobicContact CE-CB 4.08Å; M667-V716 HydrophobicContact CE-CG1 4.27Å; M667-L717 HydrophobicContact CE-CG 4.37Å; M667-L717 HydrophobicContact SD-CD2 4.2Å; M667-L717 HydrophobicContact SD-CG 4.16Å; M667-L968 HydrophobicContact CG-CD2 4.48Å; M667-L968 HydrophobicContact SD-CB 4.38Å; M667-L968 HydrophobicContact SD-CD2 3.73Å
668	T	98.9	Very high	98.3	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	163.1	-177.1	80.6	0	0	0	0	112.8	L622 E626 T627 V628 Y666 R670 G671 Y672	L622-T668 HydrophobicContact CD2-CG2 4.37Å; E626-T668 HydrophobicContact CG-CG2 4.3Å; E626-T668 VanDerWaalsContact OE1-CB 3.26Å; E626-T668 WeakPolarHBondContact OE1-CB 3.31Å; E626-T668 VanDerWaalsContact OE1-CG2 3.31Å; E626-T668 WeakPolarHBondContact OE1-CG2 3.36Å; E626-T668 PolarHBondContact OE1-OG1 3.45Å; T627-T668 WeakPolarHBondContact O-CA 3.47Å; T627-T668 VanDerWaalsContact O-CB 3.25Å; T627-T668 WeakPolarHBondContact O-CB 3.33Å; V628-T668 HydrophobicContact CG2-CG2 4.18Å; Y666-T668 HydrophobicContact CD2-CG2 4.04Å; Y666-T668 HydrophobicContact CE2-CG2 3.91Å; T668-R670 PolarHBondContact O-N 3.33Å; T668-R670 PolarHBondContact OG1-N 3.25Å; T668-G671 PolarHBondContact O-N 3.16Å; T668-G671 VanDerWaalsContact O-N 3.12Å; T668-Y672 HydrophobicContact CG2-CE1 4.36Å; T668-Y672 HydrophobicContact CG2-CE2 4.32Å; T668-Y672 PolarHBondContact N-O 3.18Å; T668-Y672 WeakPolarHBondContact OG1-CE1 3.39Å
669	N	98.7	Very high	98.7	Very high	33 Å²	33	8.6 Å²	8.6	18%	0.176	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-0.9	171.6	69.7	-15.1	0	0	0	113.4	G625 E626 T627 Y629 G671 M1058 D1068	G625-N669 PolarHBondContact O-ND2 3.02Å; E626-N669 VanDerWaalsContact CA-OD1 3.3Å; E626-N669 WeakPolarHBondContact CA-OD1 3.4Å; T627-N669 PolarHBondContact N-OD1 3.44Å; T627-N669 PolarHBondContact O-N 2.87Å; T627-N669 PolarHBondContact OG1-ND2 2.89Å; T627-N669 PolarHBondContact OG1-OD1 2.93Å; Y629-N669 HydrophobicContact CE2-CB 4.3Å; N669-G671 VanDerWaalsContact C-N 3.28Å; N669-M1058 HydrophobicContact CB-CE 4.07Å; N669-D1068 PolarHBondContact ND2-OD1 2.72Å; N669-D1068 PolarHBondContact ND2-OD2 3.39Å
670	R	98.7	Very high	98.6	Very high	123 Å²	123	9.2 Å²	9.2	46%	0.464	4%	0.04	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	2.9	168.4	-67.9	-69	-177.4	153.9	-2.8	113.6	R590 V624 E626 T668 Y672	R590-R670 PolarHBondContact NH2-O 2.98Å; V624-R670 PolarHBondContact O-NH2 2.81Å; V624-R670 VanDerWaalsContact O-NH2 3.13Å; E626-R670 HydrophobicContact CB-CG 4.18Å; E626-R670 VanDerWaalsContact CD-CG 3.49Å; E626-R670 HydrophobicContact CG-CB 4.41Å; E626-R670 HydrophobicContact CG-CG 3.69Å; T668-R670 PolarHBondContact O-N 3.33Å; T668-R670 PolarHBondContact OG1-N 3.25Å; R670-Y672 HydrophobicContact CB-CD1 4.13Å; R670-Y672 HydrophobicContact CB-CE1 3.96Å
671	G	98.7	Very high	98.5	Very high	1 Å²	1	11 Å²	11	1%	0.01	5%	0.052	C	C	.	.	S	Bend	trans	77.9	38.3	168.6	0	0	0	0	0	114	R590 T668 N669 G710 P711	R590-G671 PolarHBondContact NH1-O 3.35Å; T668-G671 PolarHBondContact O-N 3.16Å; T668-G671 VanDerWaalsContact O-N 3.12Å; N669-G671 VanDerWaalsContact C-N 3.28Å; G671-G710 VanDerWaalsContact O-CA 3.29Å; G671-G710 WeakPolarHBondContact O-CA 3.25Å; G671-G710 PolarHBondContact O-N 3.43Å; G671-G710 VanDerWaalsContact O-N 3.09Å; G671-P711 VanDerWaalsContact CA-O 3.24Å; G671-P711 WeakPolarHBondContact CA-O 3.28Å
672	Y	98.9	Very high	98.5	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	163.3	166.2	71.3	-88.3	0	0	0	109.7	I595 T596 E626 Y666 M667 T668 R670 V674 V707 I708	I595-Y672 HydrophobicContact CB-CD1 4.18Å; I595-Y672 HydrophobicContact CD1-CD1 4.11Å; I595-Y672 HydrophobicContact CD1-CG 4.03Å; I595-Y672 HydrophobicContact CG1-CD1 4.48Å; T596-Y672 WeakPolarHBondContact CB-OH 3.31Å; T596-Y672 HydrophobicContact CG2-CD2 4.34Å; T596-Y672 HydrophobicContact CG2-CE1 4.29Å; T596-Y672 HydrophobicContact CG2-CE2 3.7Å; E626-Y672 WeakPolarHBondContact OE1-CE1 3.32Å; E626-Y672 VanDerWaalsContact OE1-CZ 3.22Å; E626-Y672 PolarHBondContact OE1-OH 3.41Å; Y666-Y672 HydrophobicContact CE2-CE2 4.38Å; M667-Y672 WeakPolarHBondContact CA-O 3.47Å; T668-Y672 HydrophobicContact CG2-CE1 4.36Å; T668-Y672 HydrophobicContact CG2-CE2 4.32Å; T668-Y672 PolarHBondContact N-O 3.18Å; T668-Y672 WeakPolarHBondContact OG1-CE1 3.39Å; R670-Y672 HydrophobicContact CB-CD1 4.13Å; R670-Y672 HydrophobicContact CB-CE1 3.96Å; Y672-V674 HydrophobicContact CD2-CG2 4.08Å; Y672-V674 HydrophobicContact CE2-CG2 3.97Å; Y672-V707 HydrophobicContact CD2-CG1 4.37Å; Y672-I708 CarbonylContact C-O 3.59Å; Y672-I708 WeakPolarHBondContact CA-O 3.4Å
673	G	98.9	Very high	98.4	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	165.2	171.8	0	0	0	0	0	112.2	Y666 I708	Y666-G673 CarbonylContact O-C 3.5Å; Y666-G673 WeakPolarHBondContact O-CA 3.21Å; G673-I708 PolarHBondContact N-O 3.04Å; G673-I708 PolarHBondContact O-N 3.02Å
674	V	99	Very high	98.4	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	122.1	177.7	-177.3	0	0	0	0	109.8	L620 F665 Y666 Y672 F696 Y705 F706 V707	L620-V674 HydrophobicContact CD1-CG1 4.15Å; L620-V674 HydrophobicContact CD1-CG2 3.84Å; F665-V674 VanDerWaalsContact CA-O 3.28Å; F665-V674 WeakPolarHBondContact CA-O 3.5Å; F665-V674 WeakPolarHBondContact CD2-O 3.47Å; Y666-V674 HydrophobicContact CD1-CB 4.09Å; Y666-V674 HydrophobicContact CE1-CB 3.53Å; Y666-V674 HydrophobicContact CE1-CG1 4.04Å; Y666-V674 HydrophobicContact CE1-CG2 4.05Å; Y666-V674 HydrophobicContact CE2-CB 4.26Å; Y666-V674 HydrophobicContact CE2-CG2 4.07Å; Y666-V674 PolarHBondContact N-O 3.35Å; Y666-V674 PolarHBondContact O-N 2.95Å; Y666-V674 WeakPolarHBondContact OH-CG2 3.26Å; Y672-V674 HydrophobicContact CD2-CG2 4.08Å; Y672-V674 HydrophobicContact CE2-CG2 3.97Å; V674-F696 HydrophobicContact CG1-CZ 4.49Å; V674-Y705 HydrophobicContact CG1-CD2 4.14Å; V674-F706 WeakPolarHBondContact CA-O 3.25Å; V674-V707 HydrophobicContact CG2-CG2 4.28Å
675	L	98.9	Very high	98.4	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	122.5	168.1	170.6	64.5	0	0	0	108.8	L550 P664 F665 Y705 F706 I708 Y720 F723 T724 V936	L550-L675 HydrophobicContact CD2-CD2 3.94Å; P664-L675 HydrophobicContact CG-CD1 4.21Å; F665-L675 HydrophobicContact CB-CD1 4.2Å; F665-L675 HydrophobicContact CD2-CB 4.19Å; L675-Y705 CarbonylContact O-C 3.39Å; L675-Y705 VanDerWaalsContact O-CA 3.24Å; L675-Y705 WeakPolarHBondContact O-CA 3.25Å; L675-F706 HydrophobicContact CB-CB 4.46Å; L675-F706 HydrophobicContact CD2-CD2 4.23Å; L675-F706 HydrophobicContact CG-CD2 4.42Å; L675-F706 PolarHBondContact N-O 3.45Å; L675-F706 PolarHBondContact O-N 3.02Å; L675-I708 HydrophobicContact CB-CD1 4.33Å; L675-Y720 HydrophobicContact CB-CE2 4.36Å; L675-Y720 HydrophobicContact CD1-CE2 4.29Å; L675-Y720 HydrophobicContact CD2-CE2 4.25Å; L675-F723 HydrophobicContact CD2-CD1 4.35Å; L675-F723 HydrophobicContact CD2-CE1 4.02Å; L675-T724 HydrophobicContact CD2-CG2 3.88Å; L675-V936 HydrophobicContact CD1-CG2 4.04Å
676	V	98.9	Very high	98.3	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	115.6	169.7	-176.2	0	0	0	0	108.3	P664 H678 V682 F684 F696 L703	P664-V676 HydrophobicContact CB-CB 4.25Å; P664-V676 VanDerWaalsContact CG-O 3.28Å; P664-V676 WeakPolarHBondContact CG-O 3.38Å; P664-V676 PolarHBondContact O-N 3.49Å; V676-H678 PolarHBondContact O-N 2.8Å; V676-V682 HydrophobicContact CB-CG1 4.42Å; V676-V682 HydrophobicContact CG1-CG1 3.97Å; V676-V682 HydrophobicContact CG1-CG2 4.05Å; V676-F684 HydrophobicContact CB-CZ 4.13Å; V676-F684 HydrophobicContact CG2-CE1 3.88Å; V676-F684 HydrophobicContact CG2-CZ 3.63Å; V676-F696 HydrophobicContact CB-CD2 4.4Å; V676-F696 HydrophobicContact CG1-CD2 3.98Å; V676-F696 HydrophobicContact CG1-CE2 4.37Å; V676-F696 HydrophobicContact CG2-CB 4.3Å; V676-F696 HydrophobicContact CG2-CD1 4.16Å; V676-F696 HydrophobicContact CG2-CD2 3.47Å; V676-F696 VanDerWaalsContact CG2-CD2 3.47Å; V676-F696 HydrophobicContact CG2-CE1 4.36Å; V676-F696 HydrophobicContact CG2-CE2 3.67Å; V676-F696 HydrophobicContact CG2-CG 3.73Å; V676-F696 HydrophobicContact CG2-CZ 4.12Å; V676-L703 HydrophobicContact CG1-CD1 3.84Å
677	N	98.8	Very high	98.3	Very high	17 Å²	17	11.8 Å²	11.8	9%	0.091	6%	0.059	C	C	.	.			trans	-83.6	57.6	-167.5	-168.8	23.2	0	0	0	113.4	Y548 L550 E704 F706	Y548-N677 VanDerWaalsContact CD2-OD1 3.29Å; Y548-N677 WeakPolarHBondContact CD2-OD1 3.15Å; L550-N677 WeakPolarHBondContact CD1-ND2 3.44Å; N677-E704 HydrophobicContact CB-CB 4.28Å; N677-E704 HydrophobicContact CB-CG 4.27Å; N677-E704 PolarHBondContact N-O 3.21Å; N677-E704 PolarHBondContact ND2-OE1 3.25Å; N677-F706 HydrophobicContact CB-CD2 4.14Å; N677-F706 HydrophobicContact CB-CE2 3.62Å
678	H	98.6	Very high	98.1	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.071	C	C	.	.			trans	-133.9	114.7	-179.3	-73.4	-88.9	0	0	0	110.1	Y548 V676 Q680 V682 V698 Y702 E704	Y548-H678 VanDerWaalsContact CE2-C 3.43Å; Y548-H678 WeakPolarHBondContact CE2-O 3.3Å; Y548-H678 PolarHBondContact OH-O 3.35Å; V676-H678 PolarHBondContact O-N 2.8Å; H678-Q680 VanDerWaalsContact C-N 3.34Å; H678-Q680 HydrophobicContact CB-CG 4.45Å; H678-Q680 PolarHBondContact ND1-NE2 3.25Å; H678-V682 HydrophobicContact CB-CG2 3.66Å; H678-V698 HydrophobicContact CB-CG2 4.01Å; H678-Y702 AromaticContact CE1-CD2 3.87Å; H678-Y702 AromaticContact CE1-CE2 3.43Å; H678-Y702 VanDerWaalsContact CE1-CE2 3.43Å; H678-Y702 WeakPolarHBondContact CE1-CE2 3.37Å; H678-Y702 AromaticContact CE1-CZ 3.83Å; H678-Y702 PolarHBondContact CE1-O 2.87Å; H678-Y702 VanDerWaalsContact CE1-O 3.26Å; H678-Y702 AromaticContact NE2-CE2 3.76Å; H678-E704 PolarHBondContact NE2-N 2.91Å
679	P	98.5	Very high	97.9	Very high	3 Å²	3	14.8 Å²	14.8	2%	0.019	8%	0.077	C	C	.	.	S	Bend	trans	-68.1	-28.1	175.6	-24.3	36	0	0	0	114.8	Y548 K901 N904	Y548-P679 HydrophobicContact CD1-CB 4.45Å; Y548-P679 HydrophobicContact CD1-CG 4.03Å; Y548-P679 HydrophobicContact CD2-CG 4.25Å; Y548-P679 HydrophobicContact CE1-CB 4.01Å; Y548-P679 HydrophobicContact CE1-CG 4.02Å; Y548-P679 HydrophobicContact CE2-CG 4.22Å; Y548-P679 HydrophobicContact CG-CG 4.16Å; Y548-P679 VanDerWaalsContact CZ-CA 3.48Å; Y548-P679 WeakPolarHBondContact OH-CA 3.32Å; P679-K901 HydrophobicContact CB-CB 3.9Å; P679-K901 HydrophobicContact CB-CG 4.17Å; P679-N904 WeakPolarHBondContact O-CB 3.45Å; P679-N904 PolarHBondContact O-ND2 3.06Å
680	Q	95.3	Very high	97.8	Very high	15 Å²	15	14.9 Å²	14.9	7%	0.07	8%	0.076	C	C	.	.	S	Bend	trans	-67	177.6	173.6	66.9	-93.8	42.7	0	0	112.2	H678 V682 V698 Q900 K901	H678-Q680 VanDerWaalsContact C-N 3.34Å; H678-Q680 HydrophobicContact CB-CG 4.45Å; H678-Q680 PolarHBondContact ND1-NE2 3.25Å; Q680-V682 PolarHBondContact O-N 2.57Å; Q680-V682 VanDerWaalsContact O-N 3.13Å; Q680-V698 HydrophobicContact CG-CG2 3.58Å; Q680-Q900 WeakPolarHBondContact CA-O 3.49Å; Q680-Q900 HydrophobicContact CB-CB 3.97Å; Q680-K901 HydrophobicContact CB-CG 4.16Å
681	C	95.6	Very high	97.8	Very high	38 Å²	38	14.7 Å²	14.7	26%	0.257	9%	0.088	S	C	.	.			trans	-59	117.5	176.4	-160.8	0	0	0	0	111.2	E646 W648	E646-C681 PolarHBondContact OE2-SG 2.9Å; W648-C681 HydrophobicContact CD2-CB 4.35Å; W648-C681 HydrophobicContact CE3-CB 3.59Å; W648-C681 HydrophobicContact CZ3-CB 4.07Å
682	V	98	Very high	97.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.108	C	C	.	.			trans	-101.9	123.2	165.1	-176	0	0	0	0	108.2	T647 P664 V676 H678 Q680 F684 F696	T647-V682 PolarHBondContact N-O 2.85Å; T647-V682 WeakPolarHBondContact OG1-CA 3.46Å; T647-V682 WeakPolarHBondContact OG1-CB 3.26Å; T647-V682 PolarHBondContact OG1-N 3.26Å; T647-V682 PolarHBondContact OG1-O 3.08Å; P664-V682 HydrophobicContact CB-CG2 4.32Å; V676-V682 HydrophobicContact CB-CG1 4.42Å; V676-V682 HydrophobicContact CG1-CG1 3.97Å; V676-V682 HydrophobicContact CG1-CG2 4.05Å; H678-V682 HydrophobicContact CB-CG2 3.66Å; Q680-V682 PolarHBondContact O-N 2.57Å; Q680-V682 VanDerWaalsContact O-N 3.13Å; V682-F684 HydrophobicContact CB-CD2 4.28Å; V682-F684 HydrophobicContact CB-CE2 3.75Å; V682-F684 HydrophobicContact CB-CZ 4.49Å; V682-F684 HydrophobicContact CG1-CD2 3.89Å; V682-F684 HydrophobicContact CG1-CE2 3.42Å; V682-F684 VanDerWaalsContact CG1-CE2 3.42Å; V682-F684 HydrophobicContact CG1-CZ 3.84Å; V682-F696 HydrophobicContact CG1-CB 3.91Å
683	S	97.3	Very high	97.8	Very high	9 Å²	9	18.3 Å²	18.3	6%	0.063	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	104.4	178.1	165.9	0	0	0	0	109.4	M467 E646 F696 S697	M467-S683 PolarHBondContact N-OG 3.3Å; E646-S683 WeakPolarHBondContact OE1-CB 3.46Å; E646-S683 PolarHBondContact OE1-OG 3.33Å; E646-S683 WeakPolarHBondContact OE2-CA 3.33Å; E646-S683 VanDerWaalsContact OE2-CB 3.25Å; E646-S683 WeakPolarHBondContact OE2-CB 3.3Å; S683-F696 WeakPolarHBondContact O-CA 3.08Å; S683-S697 PolarHBondContact N-O 2.93Å; S683-S697 PolarHBondContact O-N 3Å; S683-S697 VanDerWaalsContact O-N 3.07Å; S683-S697 PolarHBondContact O-OG 3.28Å
684	F	98.6	Very high	97.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	136.3	174.3	-70.2	-97.4	0	0	0	111.1	L631 T644 V645 T647 P664 Y666 V676 V682 V686 V694 Q695 F696	L631-F684 HydrophobicContact CD1-CB 4.32Å; L631-F684 HydrophobicContact CD1-CD1 4.45Å; L631-F684 HydrophobicContact CD1-CG 4.23Å; L631-F684 HydrophobicContact CD2-CD1 4.08Å; L631-F684 HydrophobicContact CD2-CD2 4.08Å; L631-F684 HydrophobicContact CD2-CE1 3.93Å; L631-F684 HydrophobicContact CD2-CE2 3.91Å; L631-F684 HydrophobicContact CD2-CG 4.16Å; L631-F684 HydrophobicContact CD2-CZ 3.83Å; T644-F684 CarbonylContact C-O 3.56Å; T644-F684 VanDerWaalsContact CA-O 3.24Å; T644-F684 WeakPolarHBondContact CA-O 3.48Å; T644-F684 WeakPolarHBondContact CG2-O 3.4Å; V645-F684 HydrophobicContact CB-CB 4.22Å; V645-F684 PolarHBondContact N-O 3Å; V645-F684 WeakPolarHBondContact O-CB 3.1Å; V645-F684 PolarHBondContact O-N 2.87Å; T647-F684 HydrophobicContact CG2-CD2 4.04Å; T647-F684 HydrophobicContact CG2-CE2 3.79Å; P664-F684 HydrophobicContact CB-CE2 3.9Å; P664-F684 HydrophobicContact CB-CZ 4.01Å; Y666-F684 HydrophobicContact CD1-CE1 4.02Å; Y666-F684 HydrophobicContact CE1-CE1 4.37Å; V676-F684 HydrophobicContact CB-CZ 4.13Å; V676-F684 HydrophobicContact CG2-CE1 3.88Å; V676-F684 HydrophobicContact CG2-CZ 3.63Å; V682-F684 HydrophobicContact CB-CD2 4.28Å; V682-F684 HydrophobicContact CB-CE2 3.75Å; V682-F684 HydrophobicContact CB-CZ 4.49Å; V682-F684 HydrophobicContact CG1-CD2 3.89Å; V682-F684 HydrophobicContact CG1-CE2 3.42Å; V682-F684 VanDerWaalsContact CG1-CE2 3.42Å; V682-F684 HydrophobicContact CG1-CZ 3.84Å; F684-V686 HydrophobicContact CB-CG2 4.04Å; F684-V694 HydrophobicContact CD1-CG1 4.16Å; F684-Q695 CarbonylContact C-O 3.36Å; F684-Q695 VanDerWaalsContact CA-O 3.31Å; F684-Q695 WeakPolarHBondContact CA-O 3.48Å; F684-F696 HydrophobicContact CD1-CB 3.68Å; F684-F696 HydrophobicContact CD1-CD1 4.39Å; F684-F696 HydrophobicContact CD1-CG 4.43Å; F684-F696 HydrophobicContact CE1-CB 3.65Å; F684-F696 HydrophobicContact CE1-CD1 4.09Å; F684-F696 HydrophobicContact CE1-CG 4.08Å; F684-F696 HydrophobicContact CG-CB 4.23Å; F684-F696 HydrophobicContact CZ-CB 4.19Å
685	E	98.2	Very high	97.8	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	87.8	168.5	-61.8	-73	178.4	0	0	108	A466 K468 T644 G687 S688 E689 Q695	A466-E685 WeakPolarHBondContact CB-OE1 3.44Å; K468-E685 IonicContact NZ-OE1 3.45Å; K468-E685 PolarHBondContact NZ-OE1 2.83Å; K468-E685 IonicContact NZ-OE2 2.77Å; K468-E685 PolarHBondContact NZ-OE2 2.56Å; T644-E685 WeakPolarHBondContact CG2-OE1 3.37Å; T644-E685 VanDerWaalsContact OG1-CD 3.3Å; T644-E685 PolarHBondContact OG1-OE1 2.83Å; T644-E685 PolarHBondContact OG1-OE2 2.97Å; E685-G687 PolarHBondContact O-N 3.3Å; E685-G687 VanDerWaalsContact O-N 3.16Å; E685-S688 WeakPolarHBondContact CA-OG 3.12Å; E685-S688 VanDerWaalsContact CB-OG 3.28Å; E685-S688 WeakPolarHBondContact CB-OG 3.46Å; E685-S688 WeakPolarHBondContact OE2-CB 3.22Å; E685-S688 PolarHBondContact OE2-OG 2.81Å; E685-E689 HydrophobicContact CB-CB 4.08Å; E685-E689 HydrophobicContact CG-CB 4.34Å; E685-Q695 HydrophobicContact CB-CB 3.92Å; E685-Q695 HydrophobicContact CB-CG 4.16Å; E685-Q695 HydrophobicContact CG-CG 4.42Å; E685-Q695 PolarHBondContact N-O 2.91Å; E685-Q695 PolarHBondContact O-N 2.78Å
686	V	98.4	Very high	97.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	87.8	-170.6	-170	0	0	0	0	109.2	V628 L631 R640 N641 G642 Q643 F684 S688 V694	V628-V686 HydrophobicContact CB-CG1 3.69Å; V628-V686 HydrophobicContact CG1-CG1 3.74Å; V628-V686 HydrophobicContact CG2-CG1 3.74Å; L631-V686 HydrophobicContact CD1-CG2 3.84Å; R640-V686 HydrophobicContact CB-CB 4.32Å; R640-V686 HydrophobicContact CB-CG1 3.93Å; R640-V686 HydrophobicContact CB-CG2 4.37Å; R640-V686 WeakPolarHBondContact O-CB 3.22Å; N641-V686 CarbonylContact C-O 3.56Å; N641-V686 WeakPolarHBondContact CA-O 3.28Å; G642-V686 PolarHBondContact N-O 2.76Å; Q643-V686 PolarHBondContact N-O 3.11Å; Q643-V686 WeakPolarHBondContact O-CB 3.48Å; Q643-V686 PolarHBondContact O-N 2.86Å; F684-V686 HydrophobicContact CB-CG2 4.04Å; V686-S688 PolarHBondContact N-OG 3.06Å; V686-S688 PolarHBondContact O-N 2.88Å; V686-S688 VanDerWaalsContact O-N 3.17Å; V686-V694 HydrophobicContact CG1-CG1 4.49Å; V686-V694 HydrophobicContact CG1-CG2 4.17Å; V686-V694 HydrophobicContact CG2-CG1 4.26Å
687	G	97.9	Very high	97.7	Very high	8 Å²	8	18.4 Å²	18.4	8%	0.082	11%	0.112	C	C	.	.	S	Bend	trans	64.5	16.1	-173.7	0	0	0	0	0	113.9	E685 K690 V691 K693	E685-G687 PolarHBondContact O-N 3.3Å; E685-G687 VanDerWaalsContact O-N 3.16Å; G687-K690 WeakPolarHBondContact CA-O 3.14Å; G687-V691 WeakPolarHBondContact O-CA 3.49Å; G687-K693 WeakPolarHBondContact CA-O 3.18Å; G687-K693 PolarHBondContact N-O 3.48Å
688	S	96	Very high	97.7	Very high	36 Å²	36	17.7 Å²	17.7	25%	0.252	11%	0.108	S	C	.	.	S	Bend	trans	-101.5	-21.9	-176.9	52	0	0	0	0	113.8	Q643 E685 V686	Q643-S688 PolarHBondContact O-OG 2.89Å; E685-S688 WeakPolarHBondContact CA-OG 3.12Å; E685-S688 VanDerWaalsContact CB-OG 3.28Å; E685-S688 WeakPolarHBondContact CB-OG 3.46Å; E685-S688 WeakPolarHBondContact OE2-CB 3.22Å; E685-S688 PolarHBondContact OE2-OG 2.81Å; V686-S688 PolarHBondContact N-OG 3.06Å; V686-S688 PolarHBondContact O-N 2.88Å; V686-S688 VanDerWaalsContact O-N 3.17Å
689	E	94.5	Very high	97.6	Very high	28 Å²	28	21.5 Å²	21.5	13%	0.131	13%	0.126	C	C	.	.	S	Bend	trans	-106.6	-55.9	168.2	-175.3	-173.6	135.9	0	0	111	K468 I469 S470 R619 E685 Q695	K468-E689 WeakPolarHBondContact CA-OE2 3.43Å; K468-E689 HydrophobicContact CD-CB 4.16Å; K468-E689 HydrophobicContact CD-CG 4.18Å; I469-E689 PolarHBondContact N-OE2 3.34Å; S470-E689 VanDerWaalsContact CB-OE1 3.24Å; S470-E689 WeakPolarHBondContact CB-OE1 3.47Å; S470-E689 PolarHBondContact N-OE1 3.24Å; S470-E689 WeakPolarHBondContact OG-CG 3.34Å; S470-E689 PolarHBondContact OG-OE1 3.24Å; R619-E689 IonicContact CZ-OE1 2.77Å; R619-E689 IonicContact NH2-OE1 3.66Å; R619-E689 PolarHBondContact NH2-OE1 3.25Å; E685-E689 HydrophobicContact CB-CB 4.08Å; E685-E689 HydrophobicContact CG-CB 4.34Å; E689-Q695 PolarHBondContact OE1-OE1 3.26Å; E689-Q695 PolarHBondContact OE2-NE2 3.28Å; E689-Q695 PolarHBondContact OE2-OE1 3.19Å
690	K	96.8	Very high	97.5	Very high	34 Å²	34	22.3 Å²	22.3	15%	0.148	13%	0.132	C	C	.	.	S	Bend	trans	-109.1	104.5	171.9	-60.5	-51	-171.1	-167.3	0	107.9	S470 G472 G687 S692 K693	S470-K690 VanDerWaalsContact CB-NZ 3.33Å; S470-K690 WeakPolarHBondContact OG-CE 3.5Å; S470-K690 PolarHBondContact OG-NZ 3.02Å; G472-K690 PolarHBondContact O-NZ 3.24Å; G687-K690 WeakPolarHBondContact CA-O 3.14Å; K690-S692 PolarHBondContact O-N 3.32Å; K690-K693 HydrophobicContact CB-CB 4.1Å; K690-K693 HydrophobicContact CB-CD 4.28Å; K690-K693 HydrophobicContact CB-CG 4.14Å; K690-K693 PolarHBondContact O-N 2.9Å; K690-K693 VanDerWaalsContact O-O 3.12Å
691	V	97.5	Very high	97.6	Very high	120 Å²	120	23 Å²	23	73%	0.727	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-21.2	-166.5	-61.3	0	0	0	0	115.7	G687	G687-V691 WeakPolarHBondContact O-CA 3.49Å
692	S	98.6	Very high	97.8	Very high	62 Å²	62	22.1 Å²	22.1	43%	0.434	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	28.2	177.5	57.6	0	0	0	0	112.9	L622 K690	L622-S692 PolarHBondContact N-O 2.6Å; K690-S692 PolarHBondContact O-N 3.32Å
693	K	98.7	Very high	97.8	Very high	15 Å²	15	22.1 Å²	22.1	7%	0.065	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	153.1	176.6	-51.7	-169.4	-171.5	-50.2	0	112	N602 R619 L620 D621 G687 K690	N602-K693 WeakPolarHBondContact OD1-CE 3.22Å; R619-K693 HydrophobicContact CB-CB 3.92Å; R619-K693 HydrophobicContact CB-CD 3.63Å; R619-K693 HydrophobicContact CB-CG 4.38Å; L620-K693 CarbonylContact O-C 3.51Å; L620-K693 WeakPolarHBondContact O-CA 3.43Å; L620-K693 WeakPolarHBondContact O-CB 3.4Å; D621-K693 IonicContact OD1-NZ 2.84Å; D621-K693 PolarHBondContact OD1-NZ 2.77Å; G687-K693 WeakPolarHBondContact CA-O 3.18Å; G687-K693 PolarHBondContact N-O 3.48Å; K690-K693 HydrophobicContact CB-CB 4.1Å; K690-K693 HydrophobicContact CB-CD 4.28Å; K690-K693 HydrophobicContact CB-CG 4.14Å; K690-K693 PolarHBondContact O-N 2.9Å; K690-K693 VanDerWaalsContact O-O 3.12Å
694	V	98.9	Very high	97.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	102.8	162.8	-172.3	0	0	0	0	107.8	R619 L620 L622 V628 Y666 F684 V686 F696	R619-V694 VanDerWaalsContact CA-O 3.3Å; R619-V694 WeakPolarHBondContact CA-O 3.41Å; L620-V694 PolarHBondContact N-O 2.83Å; L620-V694 PolarHBondContact O-N 3.14Å; L622-V694 HydrophobicContact CD1-CG2 3.87Å; L622-V694 HydrophobicContact CD2-CG2 3.79Å; L622-V694 HydrophobicContact CG-CG2 3.89Å; V628-V694 HydrophobicContact CG2-CG2 3.81Å; Y666-V694 HydrophobicContact CD1-CG1 4.1Å; Y666-V694 HydrophobicContact CE1-CB 4.23Å; Y666-V694 HydrophobicContact CE1-CG1 3.64Å; Y666-V694 HydrophobicContact CE2-CG2 4.08Å; F684-V694 HydrophobicContact CD1-CG1 4.16Å; V686-V694 HydrophobicContact CG1-CG1 4.49Å; V686-V694 HydrophobicContact CG1-CG2 4.17Å; V686-V694 HydrophobicContact CG2-CG1 4.26Å; V694-F696 HydrophobicContact CG1-CD1 4.43Å
695	Q	98.8	Very high	97.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	140.7	170.5	163.7	174.6	-55.7	0	0	109.4	M467 E618 R619 F684 E685 E689	M467-Q695 PolarHBondContact O-NE2 3.21Å; M467-Q695 VanDerWaalsContact O-NE2 3.12Å; E618-Q695 VanDerWaalsContact O-CA 3.3Å; E618-Q695 WeakPolarHBondContact O-CA 3.35Å; R619-Q695 HydrophobicContact CB-CB 4.29Å; R619-Q695 HydrophobicContact CG-CB 3.75Å; R619-Q695 HydrophobicContact CG-CG 4.13Å; R619-Q695 VanDerWaalsContact CZ-OE1 3.26Å; F684-Q695 CarbonylContact C-O 3.36Å; F684-Q695 VanDerWaalsContact CA-O 3.31Å; F684-Q695 WeakPolarHBondContact CA-O 3.48Å; E685-Q695 HydrophobicContact CB-CB 3.92Å; E685-Q695 HydrophobicContact CB-CG 4.16Å; E685-Q695 HydrophobicContact CG-CG 4.42Å; E685-Q695 PolarHBondContact N-O 2.91Å; E685-Q695 PolarHBondContact O-N 2.78Å; E689-Q695 PolarHBondContact OE1-OE1 3.26Å; E689-Q695 PolarHBondContact OE2-NE2 3.28Å; E689-Q695 PolarHBondContact OE2-OE1 3.19Å
696	F	98.7	Very high	97.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	141.1	165.9	45.6	-87.8	0	0	0	110	F617 E618 L620 Y666 V674 V676 V682 S683 F684 V694 L703 Y705	F617-F696 VanDerWaalsContact CA-O 3.31Å; F617-F696 WeakPolarHBondContact CA-O 3.21Å; E618-F696 HydrophobicContact CB-CD2 4.19Å; E618-F696 HydrophobicContact CB-CE1 4.33Å; E618-F696 HydrophobicContact CB-CE2 3.58Å; E618-F696 HydrophobicContact CB-CZ 3.65Å; E618-F696 HydrophobicContact CG-CE1 4.25Å; E618-F696 HydrophobicContact CG-CE2 4.06Å; E618-F696 HydrophobicContact CG-CZ 3.61Å; E618-F696 PolarHBondContact N-O 3.34Å; E618-F696 PolarHBondContact O-N 2.94Å; L620-F696 HydrophobicContact CD1-CE1 3.99Å; L620-F696 HydrophobicContact CD1-CZ 4.09Å; L620-F696 HydrophobicContact CG-CE1 4.01Å; L620-F696 HydrophobicContact CG-CZ 4.23Å; Y666-F696 HydrophobicContact CE1-CE1 4.42Å; V674-F696 HydrophobicContact CG1-CZ 4.49Å; V676-F696 HydrophobicContact CB-CD2 4.4Å; V676-F696 HydrophobicContact CG1-CD2 3.98Å; V676-F696 HydrophobicContact CG1-CE2 4.37Å; V676-F696 HydrophobicContact CG2-CB 4.3Å; V676-F696 HydrophobicContact CG2-CD1 4.16Å; V676-F696 HydrophobicContact CG2-CD2 3.47Å; V676-F696 VanDerWaalsContact CG2-CD2 3.47Å; V676-F696 HydrophobicContact CG2-CE1 4.36Å; V676-F696 HydrophobicContact CG2-CE2 3.67Å; V676-F696 HydrophobicContact CG2-CG 3.73Å; V676-F696 HydrophobicContact CG2-CZ 4.12Å; V682-F696 HydrophobicContact CG1-CB 3.91Å; S683-F696 WeakPolarHBondContact O-CA 3.08Å; F684-F696 HydrophobicContact CD1-CB 3.68Å; F684-F696 HydrophobicContact CD1-CD1 4.39Å; F684-F696 HydrophobicContact CD1-CG 4.43Å; F684-F696 HydrophobicContact CE1-CB 3.65Å; F684-F696 HydrophobicContact CE1-CD1 4.09Å; F684-F696 HydrophobicContact CE1-CG 4.08Å; F684-F696 HydrophobicContact CG-CB 4.23Å; F684-F696 HydrophobicContact CZ-CB 4.19Å; V694-F696 HydrophobicContact CG1-CD1 4.43Å; F696-L703 HydrophobicContact CD2-CD1 4.01Å; F696-L703 HydrophobicContact CD2-CD2 4.11Å; F696-L703 HydrophobicContact CE2-CD1 4.08Å; F696-L703 HydrophobicContact CE2-CD2 3.88Å; F696-L703 HydrophobicContact CE2-CG 4.34Å; F696-Y705 AromaticContact CE2-CD1 3.87Å; F696-Y705 HydrophobicContact CE2-CD1 3.87Å; F696-Y705 HydrophobicContact CE2-CE1 4.47Å; F696-Y705 HydrophobicContact CE2-CG 4.02Å; F696-Y705 HydrophobicContact CZ-CD1 4.1Å; F696-Y705 HydrophobicContact CZ-CD2 4.33Å; F696-Y705 HydrophobicContact CZ-CE1 4.47Å; F696-Y705 HydrophobicContact CZ-CG 4Å
697	S	98.4	Very high	98	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.007	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	151.9	-178.6	55.6	0	0	0	0	111.8	M467 M616 S683	M467-S697 WeakPolarHBondContact SD-CB 3.37Å; M467-S697 PolarHBondContact SD-OG 3.28Å; M616-S697 VanDerWaalsContact O-CA 3.28Å; M616-S697 WeakPolarHBondContact O-CA 3.32Å; S683-S697 PolarHBondContact N-O 2.93Å; S683-S697 PolarHBondContact O-N 3Å; S683-S697 VanDerWaalsContact O-N 3.07Å; S683-S697 PolarHBondContact O-OG 3.28Å
698	V	97.7	Very high	98	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.012	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	140	-175.2	63.4	0	0	0	0	109.9	Y615 M616 H678 Q680 S700 L703	Y615-V698 CarbonylContact C-O 3.55Å; Y615-V698 WeakPolarHBondContact CA-O 3.48Å; Y615-V698 WeakPolarHBondContact CB-O 3.23Å; M616-V698 PolarHBondContact N-O 2.98Å; M616-V698 PolarHBondContact O-N 3.04Å; H678-V698 HydrophobicContact CB-CG2 4.01Å; Q680-V698 HydrophobicContact CG-CG2 3.58Å; V698-S700 PolarHBondContact O-N 2.67Å; V698-S700 VanDerWaalsContact O-N 3.09Å; V698-L703 HydrophobicContact CG1-CD1 3.9Å
699	E	96.6	Very high	98.2	Very high	80 Å²	80	20.7 Å²	20.7	37%	0.374	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	99	172.3	-171.1	177.6	-177.2	0	0	108.9	R613 N614 Y615	R613-E699 HydrophobicContact CB-CG 4.48Å; R613-E699 WeakPolarHBondContact CD-OE1 3.32Å; R613-E699 VanDerWaalsContact CG-OE1 3.26Å; R613-E699 WeakPolarHBondContact CG-OE1 2.95Å; R613-E699 IonicContact CZ-OE1 3.16Å; R613-E699 IonicContact CZ-OE2 3.71Å; R613-E699 IonicContact NE-OE1 2.74Å; R613-E699 IonicContact NH1-OE1 3.02Å; R613-E699 PolarHBondContact NH1-OE1 3.38Å; R613-E699 IonicContact NH1-OE2 3.78Å; R613-E699 PolarHBondContact NH1-OE2 2.59Å; N614-E699 WeakPolarHBondContact O-CA 3.46Å; N614-E699 WeakPolarHBondContact O-CG 3.46Å; Y615-E699 HydrophobicContact CD1-CB 3.82Å; Y615-E699 HydrophobicContact CD1-CG 4.42Å; Y615-E699 HydrophobicContact CE1-CB 3.79Å; Y615-E699 HydrophobicContact CE1-CG 4.22Å
700	S	96.7	Very high	98.3	Very high	21 Å²	21	19.5 Å²	19.5	15%	0.147	11%	0.108	C	C	.	.	S	Bend	trans	-171.9	155.9	-173.3	-177.8	0	0	0	0	110.4	N614 M616 V698 Y702	N614-S700 PolarHBondContact O-N 3.18Å; M616-S700 WeakPolarHBondContact CG-O 3.33Å; M616-S700 PolarHBondContact N-O 2.92Å; V698-S700 PolarHBondContact O-N 2.67Å; V698-S700 VanDerWaalsContact O-N 3.09Å; S700-Y702 VanDerWaalsContact C-N 3.29Å; S700-Y702 WeakPolarHBondContact CB-O 3.25Å; S700-Y702 PolarHBondContact OG-N 3.46Å; S700-Y702 VanDerWaalsContact OG-N 3.13Å; S700-Y702 PolarHBondContact OG-O 2.9Å
701	E	98.3	Very high	98.4	Very high	29 Å²	29	21.8 Å²	21.8	14%	0.136	13%	0.126	C	C	.	.	S	Bend	trans	-82.7	-6.4	169.9	-70.6	-63.6	147.6	0	0	113.1	H537 F538 A541 Y605	H537-E701 IonicContact CG-OE2 3.06Å; H537-E701 PolarHBondContact N-O 2.85Å; H537-E701 IonicContact ND1-OE2 2.59Å; H537-E701 PolarHBondContact ND1-OE2 2.91Å; F538-E701 HydrophobicContact CB-CB 4.46Å; F538-E701 HydrophobicContact CB-CG 4.19Å; F538-E701 WeakPolarHBondContact CD2-OE2 3.4Å; F538-E701 PolarHBondContact N-OE2 2.91Å; F538-E701 WeakPolarHBondContact O-CB 3.37Å; A541-E701 HydrophobicContact CB-CB 4.23Å; A541-E701 HydrophobicContact CB-CG 3.9Å; Y605-E701 WeakPolarHBondContact CE2-OE2 3.31Å; Y605-E701 PolarHBondContact OH-OE1 2.94Å
702	Y	98.7	Very high	98.5	Very high	19 Å²	19	18.8 Å²	18.8	8%	0.075	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	151.7	171	76.9	-88.6	0	0	0	111.3	R534 I535 N543 H678 S700 E704	R534-Y702 HydrophobicContact CG-CD2 4.46Å; R534-Y702 VanDerWaalsContact CZ-CD2 3.5Å; I535-Y702 CarbonylContact O-C 3.46Å; I535-Y702 VanDerWaalsContact O-CA 3.22Å; I535-Y702 WeakPolarHBondContact O-CA 3.2Å; N543-Y702 WeakPolarHBondContact ND2-CE1 3.48Å; N543-Y702 PolarHBondContact ND2-OH 3.38Å; N543-Y702 PolarHBondContact OD1-OH 3.17Å; H678-Y702 AromaticContact CE1-CD2 3.87Å; H678-Y702 AromaticContact CE1-CE2 3.43Å; H678-Y702 VanDerWaalsContact CE1-CE2 3.43Å; H678-Y702 WeakPolarHBondContact CE1-CE2 3.37Å; H678-Y702 AromaticContact CE1-CZ 3.83Å; H678-Y702 PolarHBondContact CE1-O 2.87Å; H678-Y702 VanDerWaalsContact CE1-O 3.26Å; H678-Y702 AromaticContact NE2-CE2 3.76Å; S700-Y702 VanDerWaalsContact C-N 3.29Å; S700-Y702 WeakPolarHBondContact CB-O 3.25Å; S700-Y702 PolarHBondContact OG-N 3.46Å; S700-Y702 VanDerWaalsContact OG-N 3.13Å; S700-Y702 PolarHBondContact OG-O 2.9Å; Y702-E704 HydrophobicContact CD2-CB 4.03Å; Y702-E704 HydrophobicContact CE2-CB 3.92Å
703	L	98.8	Very high	98.5	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	125.5	166.8	171.1	64.8	0	0	0	108.6	R534 I535 M616 F617 E618 V676 F696 V698 Y705	R534-L703 WeakPolarHBondContact CA-O 3.44Å; I535-L703 PolarHBondContact N-O 3.23Å; I535-L703 PolarHBondContact O-N 3.45Å; M616-L703 HydrophobicContact CB-CB 3.53Å; M616-L703 HydrophobicContact CE-CB 4.49Å; M616-L703 HydrophobicContact CG-CB 4.4Å; F617-L703 VanDerWaalsContact C-CD2 3.48Å; E618-L703 HydrophobicContact CB-CD2 3.5Å; V676-L703 HydrophobicContact CG1-CD1 3.84Å; F696-L703 HydrophobicContact CD2-CD1 4.01Å; F696-L703 HydrophobicContact CD2-CD2 4.11Å; F696-L703 HydrophobicContact CE2-CD1 4.08Å; F696-L703 HydrophobicContact CE2-CD2 3.88Å; F696-L703 HydrophobicContact CE2-CG 4.34Å; V698-L703 HydrophobicContact CG1-CD1 3.9Å; L703-Y705 HydrophobicContact CD2-CD1 4.38Å; L703-Y705 HydrophobicContact CG-CD1 4.15Å
704	E	98.9	Very high	98.5	Very high	22 Å²	22	17 Å²	17	10%	0.103	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	130	175	-170.3	175.4	105.8	0	0	110.4	F524 V533 R534 N677 H678 Y702	F524-E704 HydrophobicContact CZ-CG 4.42Å; V533-E704 VanDerWaalsContact O-CA 3.31Å; V533-E704 WeakPolarHBondContact O-CA 3.42Å; R534-E704 HydrophobicContact CB-CB 4.43Å; R534-E704 HydrophobicContact CB-CG 4.14Å; R534-E704 IonicContact NH1-OE2 3.24Å; R534-E704 PolarHBondContact NH1-OE2 2.65Å; R534-E704 VanDerWaalsContact NH1-OE2 3.11Å; N677-E704 HydrophobicContact CB-CB 4.28Å; N677-E704 HydrophobicContact CB-CG 4.27Å; N677-E704 PolarHBondContact N-O 3.21Å; N677-E704 PolarHBondContact ND2-OE1 3.25Å; H678-E704 PolarHBondContact NE2-N 2.91Å; Y702-E704 HydrophobicContact CD2-CB 4.03Å; Y702-E704 HydrophobicContact CE2-CB 3.92Å
705	Y	98.9	Very high	98.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	158.2	177.1	64	-89.4	0	0	0	111.3	G532 V533 I535 F588 E618 L620 V674 L675 F696 L703 V707	G532-Y705 WeakPolarHBondContact CA-O 3.22Å; V533-Y705 HydrophobicContact CB-CD1 4.33Å; V533-Y705 HydrophobicContact CB-CD2 4.28Å; V533-Y705 HydrophobicContact CB-CE1 3.94Å; V533-Y705 HydrophobicContact CB-CE2 3.86Å; V533-Y705 HydrophobicContact CG1-CE1 3.87Å; V533-Y705 HydrophobicContact CG1-CE2 4.37Å; V533-Y705 HydrophobicContact CG2-CE2 3.97Å; V533-Y705 PolarHBondContact N-O 3.4Å; V533-Y705 PolarHBondContact O-N 2.93Å; I535-Y705 HydrophobicContact CD1-CE1 4.16Å; F588-Y705 HydrophobicContact CE2-CE2 4.21Å; F588-Y705 AromaticContact CZ-CE2 3.71Å; F588-Y705 HydrophobicContact CZ-CE2 3.71Å; E618-Y705 HydrophobicContact CB-CE1 4.21Å; E618-Y705 HydrophobicContact CG-CE1 3.8Å; E618-Y705 PolarHBondContact OE2-OH 3.05Å; L620-Y705 HydrophobicContact CD1-CE2 4.21Å; L620-Y705 HydrophobicContact CD2-CE2 4.44Å; V674-Y705 HydrophobicContact CG1-CD2 4.14Å; L675-Y705 CarbonylContact O-C 3.39Å; L675-Y705 VanDerWaalsContact O-CA 3.24Å; L675-Y705 WeakPolarHBondContact O-CA 3.25Å; F696-Y705 AromaticContact CE2-CD1 3.87Å; F696-Y705 HydrophobicContact CE2-CD1 3.87Å; F696-Y705 HydrophobicContact CE2-CE1 4.47Å; F696-Y705 HydrophobicContact CE2-CG 4.02Å; F696-Y705 HydrophobicContact CZ-CD1 4.1Å; F696-Y705 HydrophobicContact CZ-CD2 4.33Å; F696-Y705 HydrophobicContact CZ-CE1 4.47Å; F696-Y705 HydrophobicContact CZ-CG 4Å; L703-Y705 HydrophobicContact CD2-CD1 4.38Å; L703-Y705 HydrophobicContact CG-CD1 4.15Å; Y705-V707 HydrophobicContact CD2-CG2 4.25Å; Y705-V707 HydrophobicContact CE2-CG2 4.1Å
706	F	99	Very high	98.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	119.3	-178.1	-62.7	-79.3	0	0	0	109.8	F524 P526 I530 V531 L550 V674 L675 N677 I708 F723	F524-F706 HydrophobicContact CE1-CE1 4.49Å; F524-F706 AromaticContact CE2-CE1 3.56Å; F524-F706 HydrophobicContact CE2-CE1 3.56Å; F524-F706 HydrophobicContact CE2-CZ 4.03Å; F524-F706 AromaticContact CZ-CE1 3.51Å; F524-F706 HydrophobicContact CZ-CE1 3.51Å; F524-F706 AromaticContact CZ-CZ 3.79Å; F524-F706 HydrophobicContact CZ-CZ 3.79Å; P526-F706 HydrophobicContact CG-CD1 3.9Å; P526-F706 HydrophobicContact CG-CE1 3.78Å; I530-F706 HydrophobicContact CG2-CB 3.86Å; I530-F706 HydrophobicContact CG2-CD1 3.95Å; I530-F706 HydrophobicContact CG2-CG 4.28Å; V531-F706 WeakPolarHBondContact O-CA 3.49Å; L550-F706 HydrophobicContact CD1-CE2 3.8Å; L550-F706 HydrophobicContact CD1-CZ 4.13Å; V674-F706 WeakPolarHBondContact CA-O 3.25Å; L675-F706 HydrophobicContact CB-CB 4.46Å; L675-F706 HydrophobicContact CD2-CD2 4.23Å; L675-F706 HydrophobicContact CG-CD2 4.42Å; L675-F706 PolarHBondContact N-O 3.45Å; L675-F706 PolarHBondContact O-N 3.02Å; N677-F706 HydrophobicContact CB-CD2 4.14Å; N677-F706 HydrophobicContact CB-CE2 3.62Å; F706-I708 HydrophobicContact CB-CG1 4.38Å; F706-F723 HydrophobicContact CB-CE1 4.26Å; F706-F723 HydrophobicContact CD1-CE1 4.06Å; F706-F723 HydrophobicContact CD1-CZ 4.03Å; F706-F723 AromaticContact CD2-CE1 3.64Å; F706-F723 HydrophobicContact CD2-CE1 3.64Å; F706-F723 AromaticContact CD2-CZ 3.96Å; F706-F723 HydrophobicContact CD2-CZ 3.96Å; F706-F723 HydrophobicContact CE1-CE1 4.35Å; F706-F723 AromaticContact CE1-CZ 3.88Å; F706-F723 HydrophobicContact CE1-CZ 3.88Å; F706-F723 AromaticContact CE2-CE1 3.91Å; F706-F723 HydrophobicContact CE2-CE1 3.91Å; F706-F723 AromaticContact CE2-CZ 3.75Å; F706-F723 HydrophobicContact CE2-CZ 3.75Å; F706-F723 AromaticContact CG-CE1 3.72Å; F706-F723 HydrophobicContact CG-CE1 3.72Å; F706-F723 HydrophobicContact CG-CZ 4.09Å; F706-F723 HydrophobicContact CZ-CE1 4.29Å; F706-F723 AromaticContact CZ-CZ 3.74Å; F706-F723 HydrophobicContact CZ-CZ 3.74Å
707	V	98.9	Very high	98.5	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	125.9	166.5	-177.4	0	0	0	0	108.1	I530 V531 L574 F588 Y672 V674 Y705	I530-V707 WeakPolarHBondContact CA-O 3.4Å; V531-V707 PolarHBondContact N-O 3.45Å; V531-V707 PolarHBondContact O-N 2.86Å; L574-V707 HydrophobicContact CD1-CG1 4.21Å; L574-V707 HydrophobicContact CD2-CB 4.16Å; L574-V707 HydrophobicContact CD2-CG1 3.94Å; L574-V707 VanDerWaalsContact CD2-O 3.23Å; L574-V707 WeakPolarHBondContact CD2-O 3.31Å; F588-V707 HydrophobicContact CD1-CB 4.04Å; F588-V707 HydrophobicContact CD1-CG1 4.29Å; F588-V707 HydrophobicContact CD1-CG2 3.68Å; F588-V707 HydrophobicContact CD2-CG2 4.09Å; F588-V707 HydrophobicContact CE1-CB 4.19Å; F588-V707 HydrophobicContact CE1-CG2 3.51Å; F588-V707 HydrophobicContact CE2-CG2 3.96Å; F588-V707 HydrophobicContact CG-CB 4.49Å; F588-V707 HydrophobicContact CG-CG1 4.35Å; F588-V707 HydrophobicContact CG-CG2 3.96Å; F588-V707 HydrophobicContact CZ-CG2 3.67Å; Y672-V707 HydrophobicContact CD2-CG1 4.37Å; V674-V707 HydrophobicContact CG2-CG2 4.28Å; Y705-V707 HydrophobicContact CD2-CG2 4.25Å; Y705-V707 HydrophobicContact CE2-CG2 4.1Å
708	I	99	Very high	98.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	113.4	-171.2	-58.8	176	0	0	0	108.1	I530 F665 Y672 G673 L675 F706 V716 R719 Y720	I530-I708 HydrophobicContact CD1-CD1 4.39Å; I530-I708 HydrophobicContact CD1-CG1 4.07Å; I530-I708 HydrophobicContact CD1-CG2 4.22Å; I530-I708 HydrophobicContact CG1-CB 4.44Å; I530-I708 HydrophobicContact CG1-CG1 4.13Å; I530-I708 HydrophobicContact CG1-CG2 4.14Å; I530-I708 HydrophobicContact CG2-CG1 4.05Å; F665-I708 HydrophobicContact CD2-CD1 4.41Å; F665-I708 HydrophobicContact CE2-CD1 4.06Å; Y672-I708 CarbonylContact C-O 3.59Å; Y672-I708 WeakPolarHBondContact CA-O 3.4Å; G673-I708 PolarHBondContact N-O 3.04Å; G673-I708 PolarHBondContact O-N 3.02Å; L675-I708 HydrophobicContact CB-CD1 4.33Å; F706-I708 HydrophobicContact CB-CG1 4.38Å; I708-V716 HydrophobicContact CG2-CG1 4.18Å; I708-R719 HydrophobicContact CG2-CB 3.54Å; I708-Y720 HydrophobicContact CD1-CD2 3.85Å
709	D	98.9	Very high	98.6	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.011	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	157.5	-177	-162.2	16.7	0	0	0	113	G529 L574 R590 R719	G529-D709 WeakPolarHBondContact O-CB 3.47Å; G529-D709 PolarHBondContact O-N 3.4Å; L574-D709 HydrophobicContact CB-CB 4.02Å; L574-D709 HydrophobicContact CD2-CB 4.2Å; R590-D709 WeakPolarHBondContact CD-OD1 3.29Å; R590-D709 IonicContact CZ-OD1 3.49Å; R590-D709 IonicContact NH1-OD1 2.92Å; R590-D709 PolarHBondContact NH1-OD1 3.49Å; D709-R719 VanDerWaalsContact C-NH1 3.33Å; D709-R719 WeakPolarHBondContact O-CD 3.42Å; D709-R719 PolarHBondContact O-NH1 2.98Å
710	G	98.5	Very high	98.7	Very high	3 Å²	3	17.1 Å²	17.1	3%	0.031	9%	0.094	C	C	.	.			trans	-104.1	-108	173.7	0	0	0	0	0	112.2	G671 A715 R719	G671-G710 VanDerWaalsContact O-CA 3.29Å; G671-G710 WeakPolarHBondContact O-CA 3.25Å; G671-G710 PolarHBondContact O-N 3.43Å; G671-G710 VanDerWaalsContact O-N 3.09Å; G710-A715 WeakPolarHBondContact O-CB 3.3Å; G710-R719 PolarHBondContact O-NH1 3.11Å
711	P	98.5	Very high	98.8	Very high	82 Å²	82	16.1 Å²	16.1	53%	0.532	9%	0.087	S	C	.	.	S	Bend	cis	-89.1	4.6	16.7	35.4	-38	0	0	0	114.9	G671	G671-P711 VanDerWaalsContact CA-O 3.24Å; G671-P711 WeakPolarHBondContact CA-O 3.28Å
712	T	98.9	Very high	98.8	Very high	56 Å²	56	21.2 Å²	21.2	34%	0.344	11%	0.106	S	C	.	.	S	Bend	trans	-110.2	156.1	175.9	65.9	0	0	0	0	111	K714 A715 V716	T712-K714 VanDerWaalsContact C-N 3.27Å; T712-K714 PolarHBondContact O-N 2.87Å; T712-A715 WeakPolarHBondContact O-CB 3.43Å; T712-A715 PolarHBondContact O-N 3.19Å; T712-A715 PolarHBondContact OG1-N 3.16Å; T712-V716 WeakPolarHBondContact O-CG2 3.4Å; T712-V716 PolarHBondContact O-N 3.4Å
713	P	98.9	Very high	98.9	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.013	10%	0.102	C	C	.	.	H	α-helix	trans	-50.2	-43.5	174.6	-34.2	40.7	0	0	0	114.2	M667 A715 V716 L717 M1058 M1059 P1062	M667-P713 HydrophobicContact CE-CB 3.41Å; M667-P713 VanDerWaalsContact CE-CB 3.41Å; M667-P713 HydrophobicContact CE-CG 4.28Å; M667-P713 WeakPolarHBondContact CE-O 3.37Å; P713-A715 VanDerWaalsContact C-N 3.35Å; P713-A715 PolarHBondContact O-N 3.09Å; P713-V716 WeakPolarHBondContact O-CB 3.17Å; P713-V716 PolarHBondContact O-N 3.13Å; P713-L717 PolarHBondContact O-N 2.88Å; P713-M1058 HydrophobicContact CG-CE 4.17Å; P713-M1058 HydrophobicContact CG-SD 4.49Å; P713-M1059 HydrophobicContact CB-CB 4.28Å; P713-M1059 HydrophobicContact CB-CG 4Å; P713-P1062 HydrophobicContact CG-CB 3.95Å
714	K	98.9	Very high	98.9	Very high	38 Å²	38	20.4 Å²	20.4	17%	0.165	10%	0.102	C	C	.	.	H	α-helix	trans	-63.8	-38.1	177	-66.6	-176.5	-178.7	178	0	112.5	T712 L717 D718 T1051 R1055 M1059 E1060 D1078	T712-K714 VanDerWaalsContact C-N 3.27Å; T712-K714 PolarHBondContact O-N 2.87Å; K714-L717 PolarHBondContact O-N 3.16Å; K714-D718 WeakPolarHBondContact O-CB 3.36Å; K714-D718 PolarHBondContact O-N 3.47Å; K714-T1051 HydrophobicContact CD-CG2 4.04Å; K714-T1051 HydrophobicContact CG-CG2 4.23Å; K714-R1055 VanDerWaalsContact NZ-NH1 3.14Å; K714-M1059 HydrophobicContact CG-CG 3.89Å; K714-M1059 HydrophobicContact CG-SD 4.44Å; K714-E1060 WeakPolarHBondContact CE-OE2 3.3Å; K714-E1060 IonicContact NZ-OE1 3.84Å; K714-E1060 PolarHBondContact NZ-OE1 3.39Å; K714-E1060 IonicContact NZ-OE2 3.44Å; K714-E1060 PolarHBondContact NZ-OE2 3.34Å; K714-D1078 IonicContact NZ-OD1 3.81Å
715	A	98.9	Very high	98.8	Very high	14 Å²	14	19.5 Å²	19.5	12%	0.116	10%	0.099	C	C	.	.	H	α-helix	trans	-69.2	-36.2	176.8	0	0	0	0	0	112.2	G710 T712 P713 D718 R719	G710-A715 WeakPolarHBondContact O-CB 3.3Å; T712-A715 WeakPolarHBondContact O-CB 3.43Å; T712-A715 PolarHBondContact O-N 3.19Å; T712-A715 PolarHBondContact OG1-N 3.16Å; P713-A715 VanDerWaalsContact C-N 3.35Å; P713-A715 PolarHBondContact O-N 3.09Å; A715-D718 WeakPolarHBondContact O-CB 3.21Å; A715-D718 PolarHBondContact O-N 3.13Å; A715-R719 PolarHBondContact O-N 3.28Å
716	V	98.9	Very high	98.8	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.7	-49.9	172.1	176.4	0	0	0	0	110.3	F665 M667 I708 T712 P713 D718 R719 Y720	F665-V716 HydrophobicContact CE2-CG1 4.34Å; F665-V716 HydrophobicContact CZ-CG1 3.88Å; M667-V716 HydrophobicContact CB-CG1 4.32Å; M667-V716 HydrophobicContact CE-CB 4.08Å; M667-V716 HydrophobicContact CE-CG1 4.27Å; I708-V716 HydrophobicContact CG2-CG1 4.18Å; T712-V716 WeakPolarHBondContact O-CG2 3.4Å; T712-V716 PolarHBondContact O-N 3.4Å; P713-V716 WeakPolarHBondContact O-CB 3.17Å; P713-V716 PolarHBondContact O-N 3.13Å; V716-D718 VanDerWaalsContact C-N 3.29Å; V716-D718 PolarHBondContact O-N 3.17Å; V716-R719 PolarHBondContact O-N 3.43Å; V716-Y720 WeakPolarHBondContact O-CB 3.31Å; V716-Y720 PolarHBondContact O-N 2.59Å
717	L	98.9	Very high	98.8	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-64.6	-33.3	178.2	-73.9	-179.7	0	0	0	112.8	F665 M667 P713 K714 Y720 T721 G967 M1059	F665-L717 HydrophobicContact CE1-CD2 3.97Å; F665-L717 HydrophobicContact CZ-CD2 4.35Å; M667-L717 HydrophobicContact CE-CG 4.37Å; M667-L717 HydrophobicContact SD-CD2 4.2Å; M667-L717 HydrophobicContact SD-CG 4.16Å; P713-L717 PolarHBondContact O-N 2.88Å; K714-L717 PolarHBondContact O-N 3.16Å; L717-Y720 HydrophobicContact CD2-CD1 4.41Å; L717-Y720 PolarHBondContact O-N 3.06Å; L717-T721 WeakPolarHBondContact O-CB 3.39Å; L717-T721 WeakPolarHBondContact O-CG2 3.48Å; L717-T721 PolarHBondContact O-N 3.29Å; L717-T721 PolarHBondContact O-OG1 2.96Å; L717-G967 WeakPolarHBondContact CD1-O 3.4Å; L717-M1059 HydrophobicContact CD1-CE 3.34Å; L717-M1059 HydrophobicContact CD1-SD 4.05Å
718	D	98.9	Very high	98.8	Very high	27 Å²	27	22.6 Å²	22.6	14%	0.144	11%	0.114	C	C	.	.	H	α-helix	trans	-60.8	-49.3	173.8	-171	0.7	0	0	0	111.1	K714 A715 V716 T721 R722 R726 R1049	K714-D718 WeakPolarHBondContact O-CB 3.36Å; K714-D718 PolarHBondContact O-N 3.47Å; A715-D718 WeakPolarHBondContact O-CB 3.21Å; A715-D718 PolarHBondContact O-N 3.13Å; V716-D718 VanDerWaalsContact C-N 3.29Å; V716-D718 PolarHBondContact O-N 3.17Å; D718-T721 PolarHBondContact O-OG1 3.47Å; D718-R722 WeakPolarHBondContact O-CB 3.3Å; D718-R722 PolarHBondContact O-N 3.26Å; D718-R726 PolarHBondContact O-NH1 3.29Å; D718-R726 IonicContact OD1-CZ 3.14Å; D718-R726 IonicContact OD1-NH1 2.74Å; D718-R726 PolarHBondContact OD1-NH1 2.65Å; D718-R726 IonicContact OD1-NH2 2.7Å; D718-R726 PolarHBondContact OD1-NH2 3.22Å; D718-R1049 WeakPolarHBondContact CA-O 3.26Å; D718-R1049 IonicContact OD2-CZ 2.8Å; D718-R1049 VanDerWaalsContact OD2-CZ 3.26Å; D718-R1049 IonicContact OD2-NE 2.69Å; D718-R1049 PolarHBondContact OD2-NE 2.94Å; D718-R1049 IonicContact OD2-NH2 2.82Å; D718-R1049 PolarHBondContact OD2-NH2 3.49Å
719	R	98.9	Very high	98.8	Very high	44 Å²	44	23.9 Å²	23.9	17%	0.166	12%	0.12	C	C	.	.	H	α-helix	trans	-65	-45.6	174.4	-70.3	-163.7	179.8	84.2	-1.4	112.3	E528 I530 I708 D709 G710 A715 V716 T721 R722 F723	E528-R719 WeakPolarHBondContact O-CD 3.47Å; E528-R719 PolarHBondContact O-NE 2.96Å; E528-R719 IonicContact OE1-NH2 3.16Å; E528-R719 IonicContact OE2-CZ 2.61Å; E528-R719 IonicContact OE2-NE 3.11Å; E528-R719 PolarHBondContact OE2-NE 2.86Å; E528-R719 VanDerWaalsContact OE2-NE 3.08Å; E528-R719 IonicContact OE2-NH2 3.87Å; E528-R719 PolarHBondContact OE2-NH2 3.01Å; I530-R719 HydrophobicContact CD1-CB 4.22Å; I530-R719 HydrophobicContact CG1-CB 4.39Å; I708-R719 HydrophobicContact CG2-CB 3.54Å; D709-R719 VanDerWaalsContact C-NH1 3.33Å; D709-R719 WeakPolarHBondContact O-CD 3.42Å; D709-R719 PolarHBondContact O-NH1 2.98Å; G710-R719 PolarHBondContact O-NH1 3.11Å; A715-R719 PolarHBondContact O-N 3.28Å; V716-R719 PolarHBondContact O-N 3.43Å; R719-T721 PolarHBondContact O-N 2.95Å; R719-R722 PolarHBondContact O-N 2.89Å; R719-F723 VanDerWaalsContact O-CB 3.27Å; R719-F723 WeakPolarHBondContact O-CB 3.3Å; R719-F723 PolarHBondContact O-N 2.76Å
720	Y	98.9	Very high	98.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-58.9	-47.2	-179.8	173.4	-103.4	0	0	0	112.3	I663 F665 L675 I708 V716 L717 F723 T724 S969	I663-Y720 VanDerWaalsContact CG2-OH 3.27Å; I663-Y720 WeakPolarHBondContact CG2-OH 3.23Å; F665-Y720 HydrophobicContact CB-CE2 3.77Å; F665-Y720 HydrophobicContact CD1-CD1 4.49Å; F665-Y720 HydrophobicContact CD1-CD2 4.39Å; F665-Y720 HydrophobicContact CD1-CE1 4.36Å; F665-Y720 HydrophobicContact CD1-CE2 4.24Å; F665-Y720 AromaticContact CD2-CD2 3.46Å; F665-Y720 HydrophobicContact CD2-CD2 3.46Å; F665-Y720 VanDerWaalsContact CD2-CD2 3.46Å; F665-Y720 AromaticContact CD2-CE2 3.58Å; F665-Y720 HydrophobicContact CD2-CE2 3.58Å; F665-Y720 HydrophobicContact CD2-CG 4.14Å; F665-Y720 HydrophobicContact CE1-CD1 4.41Å; F665-Y720 HydrophobicContact CE1-CG 4.33Å; F665-Y720 AromaticContact CE2-CD2 3.64Å; F665-Y720 HydrophobicContact CE2-CD2 3.64Å; F665-Y720 HydrophobicContact CE2-CE2 4.23Å; F665-Y720 AromaticContact CE2-CG 3.95Å; F665-Y720 HydrophobicContact CE2-CG 3.95Å; F665-Y720 AromaticContact CG-CD2 3.86Å; F665-Y720 HydrophobicContact CG-CD2 3.86Å; F665-Y720 HydrophobicContact CG-CE1 4.47Å; F665-Y720 AromaticContact CG-CE2 3.58Å; F665-Y720 HydrophobicContact CG-CE2 3.58Å; F665-Y720 HydrophobicContact CG-CG 4.41Å; F665-Y720 AromaticContact CG-CZ 3.93Å; F665-Y720 HydrophobicContact CZ-CD2 4.19Å; F665-Y720 HydrophobicContact CZ-CG 4.05Å; L675-Y720 HydrophobicContact CB-CE2 4.36Å; L675-Y720 HydrophobicContact CD1-CE2 4.29Å; L675-Y720 HydrophobicContact CD2-CE2 4.25Å; I708-Y720 HydrophobicContact CD1-CD2 3.85Å; V716-Y720 WeakPolarHBondContact O-CB 3.31Å; V716-Y720 PolarHBondContact O-N 2.59Å; L717-Y720 HydrophobicContact CD2-CD1 4.41Å; L717-Y720 PolarHBondContact O-N 3.06Å; Y720-F723 WeakPolarHBondContact O-CB 3.48Å; Y720-F723 PolarHBondContact O-N 3.36Å; Y720-T724 HydrophobicContact CD2-CG2 3.98Å; Y720-T724 HydrophobicContact CE2-CG2 3.59Å; Y720-T724 WeakPolarHBondContact O-CB 3.41Å; Y720-T724 WeakPolarHBondContact O-CG2 3.4Å; Y720-T724 PolarHBondContact O-N 3.13Å; Y720-T724 PolarHBondContact O-OG1 2.84Å; Y720-S969 WeakPolarHBondContact CE1-O 3.45Å
721	T	98.9	Very high	98.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-77.2	-28.1	-179.3	56.5	0	0	0	0	112.3	L717 D718 R719 F723 G725 R726 G1050	L717-T721 WeakPolarHBondContact O-CB 3.39Å; L717-T721 WeakPolarHBondContact O-CG2 3.48Å; L717-T721 PolarHBondContact O-N 3.29Å; L717-T721 PolarHBondContact O-OG1 2.96Å; D718-T721 PolarHBondContact O-OG1 3.47Å; R719-T721 PolarHBondContact O-N 2.95Å; T721-F723 VanDerWaalsContact C-N 3.27Å; T721-F723 PolarHBondContact O-N 3.35Å; T721-G725 CarbonylContact O-C 3.56Å; T721-G725 VanDerWaalsContact O-CA 3.26Å; T721-G725 WeakPolarHBondContact O-CA 3.37Å; T721-G725 PolarHBondContact O-N 3.41Å; T721-G725 VanDerWaalsContact O-O 3.05Å; T721-R726 PolarHBondContact O-N 2.93Å; T721-R726 PolarHBondContact OG1-NH1 3.45Å; T721-G1050 WeakPolarHBondContact OG1-CA 3.43Å
722	R	98.8	Very high	98.8	Very high	137 Å²	137	20.5 Å²	20.5	52%	0.517	10%	0.099	S	C	.	.	H	α-helix	trans	-59.7	-43.4	164.7	175.4	177.3	-66.1	-84.5	-1.2	110.8	N551 D718 R719	N551-R722 PolarHBondContact ND2-O 2.79Å; D718-R722 WeakPolarHBondContact O-CB 3.3Å; D718-R722 PolarHBondContact O-N 3.26Å; R719-R722 PolarHBondContact O-N 2.89Å
723	F	98.8	Very high	98.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-73.1	-36.9	-176.2	-178.7	-141.8	0	0	0	113.6	P526 Q527 I530 L550 N551 I552 L675 F706 R719 Y720 T721	P526-F723 HydrophobicContact CB-CD2 4.22Å; P526-F723 HydrophobicContact CB-CE2 3.5Å; P526-F723 HydrophobicContact CB-CZ 3.98Å; P526-F723 HydrophobicContact CG-CD2 4.23Å; P526-F723 HydrophobicContact CG-CE1 4.32Å; P526-F723 HydrophobicContact CG-CE2 3.58Å; P526-F723 HydrophobicContact CG-CZ 3.62Å; Q527-F723 HydrophobicContact CG-CB 4.29Å; Q527-F723 HydrophobicContact CG-CD2 4.09Å; Q527-F723 HydrophobicContact CG-CG 4.49Å; I530-F723 HydrophobicContact CD1-CB 3.74Å; I530-F723 HydrophobicContact CD1-CD1 3.92Å; I530-F723 HydrophobicContact CD1-CG 3.88Å; L550-F723 HydrophobicContact CB-CD2 4.5Å; L550-F723 HydrophobicContact CB-CE2 3.81Å; L550-F723 HydrophobicContact CB-CZ 4.1Å; L550-F723 HydrophobicContact CD1-CE1 4.47Å; L550-F723 HydrophobicContact CD1-CE2 4.34Å; L550-F723 HydrophobicContact CD1-CZ 3.79Å; L550-F723 HydrophobicContact CD2-CD1 4.35Å; L550-F723 HydrophobicContact CD2-CE1 3.9Å; L550-F723 HydrophobicContact CD2-CE2 4.12Å; L550-F723 HydrophobicContact CD2-CZ 3.79Å; L550-F723 HydrophobicContact CG-CE2 4.3Å; L550-F723 HydrophobicContact CG-CZ 4.1Å; N551-F723 WeakPolarHBondContact CB-O 3.37Å; N551-F723 PolarHBondContact N-O 3.09Å; N551-F723 WeakPolarHBondContact O-CD2 3.17Å; I552-F723 HydrophobicContact CG1-CE2 4.15Å; L675-F723 HydrophobicContact CD2-CD1 4.35Å; L675-F723 HydrophobicContact CD2-CE1 4.02Å; F706-F723 HydrophobicContact CB-CE1 4.26Å; F706-F723 HydrophobicContact CD1-CE1 4.06Å; F706-F723 HydrophobicContact CD1-CZ 4.03Å; F706-F723 AromaticContact CD2-CE1 3.64Å; F706-F723 HydrophobicContact CD2-CE1 3.64Å; F706-F723 AromaticContact CD2-CZ 3.96Å; F706-F723 HydrophobicContact CD2-CZ 3.96Å; F706-F723 HydrophobicContact CE1-CE1 4.35Å; F706-F723 AromaticContact CE1-CZ 3.88Å; F706-F723 HydrophobicContact CE1-CZ 3.88Å; F706-F723 AromaticContact CE2-CE1 3.91Å; F706-F723 HydrophobicContact CE2-CE1 3.91Å; F706-F723 AromaticContact CE2-CZ 3.75Å; F706-F723 HydrophobicContact CE2-CZ 3.75Å; F706-F723 AromaticContact CG-CE1 3.72Å; F706-F723 HydrophobicContact CG-CE1 3.72Å; F706-F723 HydrophobicContact CG-CZ 4.09Å; F706-F723 HydrophobicContact CZ-CE1 4.29Å; F706-F723 AromaticContact CZ-CZ 3.74Å; F706-F723 HydrophobicContact CZ-CZ 3.74Å; R719-F723 VanDerWaalsContact O-CB 3.27Å; R719-F723 WeakPolarHBondContact O-CB 3.3Å; R719-F723 PolarHBondContact O-N 2.76Å; Y720-F723 WeakPolarHBondContact O-CB 3.48Å; Y720-F723 PolarHBondContact O-N 3.36Å; T721-F723 VanDerWaalsContact C-N 3.27Å; T721-F723 PolarHBondContact O-N 3.35Å
724	T	98.8	Very high	98.8	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.006	8%	0.084	C	C	.	.	H	α-helix	trans	-109.3	-13.8	-172.4	60.4	0	0	0	0	114.5	L550 L675 Y720 V936 G937 Q939	L550-T724 HydrophobicContact CD2-CG2 3.94Å; L675-T724 HydrophobicContact CD2-CG2 3.88Å; Y720-T724 HydrophobicContact CD2-CG2 3.98Å; Y720-T724 HydrophobicContact CE2-CG2 3.59Å; Y720-T724 WeakPolarHBondContact O-CB 3.41Å; Y720-T724 WeakPolarHBondContact O-CG2 3.4Å; Y720-T724 PolarHBondContact O-N 3.13Å; Y720-T724 PolarHBondContact O-OG1 2.84Å; T724-V936 HydrophobicContact CG2-CG1 3.72Å; T724-G937 VanDerWaalsContact O-CA 3.29Å; T724-G937 WeakPolarHBondContact O-CA 3.27Å; T724-Q939 PolarHBondContact OG1-NE2 3.11Å
725	G	98.7	Very high	98.8	Very high	4 Å²	4	16.5 Å²	16.5	4%	0.041	8%	0.076	C	C	.	.			trans	130.2	128	-178	0	0	0	0	0	112.4	T721 Q939	T721-G725 CarbonylContact O-C 3.56Å; T721-G725 VanDerWaalsContact O-CA 3.26Å; T721-G725 WeakPolarHBondContact O-CA 3.37Å; T721-G725 PolarHBondContact O-N 3.41Å; T721-G725 VanDerWaalsContact O-O 3.05Å; G725-Q939 WeakPolarHBondContact O-CG 3.34Å; G725-Q939 PolarHBondContact O-NE2 2.87Å
726	R	98.8	Very high	98.8	Very high	53 Å²	53	15.9 Å²	15.9	20%	0.2	7%	0.071	C	C	.	.	P	Polyproline II helix	trans	-75.2	140.4	175.1	-67.5	-60.4	-163.7	-175.6	6.3	110.2	D718 T721 A728 K940 N1047 A1048 R1049	D718-R726 PolarHBondContact O-NH1 3.29Å; D718-R726 IonicContact OD1-CZ 3.14Å; D718-R726 IonicContact OD1-NH1 2.74Å; D718-R726 PolarHBondContact OD1-NH1 2.65Å; D718-R726 IonicContact OD1-NH2 2.7Å; D718-R726 PolarHBondContact OD1-NH2 3.22Å; T721-R726 PolarHBondContact O-N 2.93Å; T721-R726 PolarHBondContact OG1-NH1 3.45Å; R726-A728 PolarHBondContact O-N 2.78Å; R726-K940 WeakPolarHBondContact O-CA 3.27Å; R726-K940 WeakPolarHBondContact O-CG 3.07Å; R726-N1047 WeakPolarHBondContact CB-O 3.06Å; R726-N1047 WeakPolarHBondContact CD-O 3.48Å; R726-A1048 PolarHBondContact NE-O 3.31Å; R726-A1048 PolarHBondContact NH2-O 3.49Å; R726-R1049 VanDerWaalsContact NH1-C 3.27Å
727	P	98.9	Very high	98.8	Very high	0 Å²	0	16 Å²	16	0%	0	7%	0.072	C	C	.	.	P	Polyproline II helix	trans	-55.5	129.6	166.6	-23.7	33.8	0	0	0	111.1	Q939 F973 A1046 N1047	P727-Q939 VanDerWaalsContact CA-O 3.31Å; P727-Q939 WeakPolarHBondContact CA-O 3.41Å; P727-Q939 HydrophobicContact CG-CB 4.48Å; P727-Q939 HydrophobicContact CG-CG 4.33Å; P727-F973 HydrophobicContact CB-CD2 4.32Å; P727-F973 HydrophobicContact CB-CE2 3.95Å; P727-A1046 WeakPolarHBondContact CD-O 3.47Å; P727-N1047 VanDerWaalsContact O-CA 3.23Å; P727-N1047 WeakPolarHBondContact O-CA 3.44Å; P727-N1047 WeakPolarHBondContact O-CB 3.45Å; P727-N1047 PolarHBondContact O-ND2 3.22Å
728	A	98.7	Very high	98.8	Very high	12 Å²	12	16 Å²	16	10%	0.099	7%	0.072	C	C	.	.	P	Polyproline II helix	trans	-63.4	154.6	169.9	0	0	0	0	0	110.2	R726 P730 W915 K940 P942 F973	R726-A728 PolarHBondContact O-N 2.78Å; A728-P730 VanDerWaalsContact O-CD 3.28Å; A728-P730 WeakPolarHBondContact O-CD 3.31Å; A728-W915 HydrophobicContact CB-CH2 3.53Å; A728-W915 HydrophobicContact CB-CZ2 3.5Å; A728-W915 VanDerWaalsContact CB-CZ2 3.5Å; A728-K940 WeakPolarHBondContact CB-O 3.44Å; A728-P942 HydrophobicContact CB-CG 4.02Å; A728-P942 WeakPolarHBondContact O-CG 3.37Å; A728-F973 WeakPolarHBondContact O-CE2 3.37Å
729	L	98.8	Very high	98.8	Very high	27 Å²	27	14.8 Å²	14.8	14%	0.141	7%	0.065	C	C	.	.			trans	-85	112.3	173.3	179.1	62	0	0	0	108.7	F973 Y1040 A1043 N1047 D1173	L729-F973 HydrophobicContact CD1-CZ 4.5Å; L729-Y1040 HydrophobicContact CD1-CE2 4.49Å; L729-Y1040 HydrophobicContact CD2-CE1 4.17Å; L729-A1043 HydrophobicContact CD1-CB 3.64Å; L729-N1047 HydrophobicContact CB-CB 4.13Å; L729-D1173 VanDerWaalsContact CD2-O 3.26Å; L729-D1173 WeakPolarHBondContact CD2-O 2.98Å
730	P	98.8	Very high	98.8	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.058	C	C	.	.			trans	-67.7	151.4	178.4	-18.4	33.2	0	0	0	111.1	A728 S734 F735 V928 P942 V943 F973 Y1040	A728-P730 VanDerWaalsContact O-CD 3.28Å; A728-P730 WeakPolarHBondContact O-CD 3.31Å; P730-S734 WeakPolarHBondContact CB-OG 3.26Å; P730-F735 HydrophobicContact CB-CE2 4.23Å; P730-V928 HydrophobicContact CB-CG2 4.22Å; P730-P942 HydrophobicContact CG-CB 4.17Å; P730-P942 HydrophobicContact CG-CG 3.95Å; P730-V943 HydrophobicContact CG-CG2 4.2Å; P730-F973 VanDerWaalsContact CD-CE2 3.46Å; P730-F973 HydrophobicContact CG-CD1 4.08Å; P730-F973 HydrophobicContact CG-CD2 3.85Å; P730-F973 HydrophobicContact CG-CE1 4.14Å; P730-F973 HydrophobicContact CG-CE2 3.94Å; P730-F973 HydrophobicContact CG-CG 3.92Å; P730-F973 HydrophobicContact CG-CZ 4.07Å; P730-Y1040 WeakPolarHBondContact O-CE2 3.39Å; P730-Y1040 PolarHBondContact O-OH 3.2Å
731	P	98.7	Very high	98.8	Very high	4 Å²	4	12.8 Å²	12.8	3%	0.026	6%	0.058	C	C	.	.			trans	-61	145.2	176.8	24.2	-33.6	0	0	0	112	W733 S734 E925 V928	P731-W733 HydrophobicContact CB-CD2 4.3Å; P731-W733 HydrophobicContact CB-CG 4.25Å; P731-W733 HydrophobicContact CB-CZ2 4.33Å; P731-W733 VanDerWaalsContact CB-NE1 3.28Å; P731-W733 HydrophobicContact CG-CD2 4.04Å; P731-W733 HydrophobicContact CG-CG 4.5Å; P731-W733 HydrophobicContact CG-CH2 4.27Å; P731-W733 HydrophobicContact CG-CZ2 3.48Å; P731-W733 VanDerWaalsContact CG-CZ2 3.48Å; P731-W733 PolarHBondContact O-N 2.66Å; P731-S734 WeakPolarHBondContact O-CB 3.49Å; P731-S734 PolarHBondContact O-N 3.18Å; P731-S734 PolarHBondContact O-OG 3.45Å; P731-E925 WeakPolarHBondContact CB-O 3.25Å; P731-V928 HydrophobicContact CG-CB 4.38Å; P731-V928 HydrophobicContact CG-CG1 4.32Å
732	A	98.8	Very high	98.7	Very high	11 Å²	11	12.8 Å²	12.8	9%	0.091	6%	0.058	C	C	.	.	G	3₁₀ helix	trans	-52.7	-34.5	-177.8	0	0	0	0	0	114.7	S734 F735 M1036 Y1040 P1144 D1145 W1148	A732-S734 PolarHBondContact O-N 2.77Å; A732-F735 WeakPolarHBondContact O-CB 3.37Å; A732-F735 PolarHBondContact O-N 3.31Å; A732-M1036 HydrophobicContact CB-CE 4.32Å; A732-Y1040 VanDerWaalsContact CA-CE2 3.45Å; A732-Y1040 HydrophobicContact CB-CD2 4.28Å; A732-Y1040 HydrophobicContact CB-CE2 3.76Å; A732-Y1040 PolarHBondContact N-OH 3Å; A732-P1144 WeakPolarHBondContact O-CG 3.04Å; A732-D1145 HydrophobicContact CB-CB 3.71Å; A732-W1148 HydrophobicContact CB-CH2 3.71Å; A732-W1148 HydrophobicContact CB-CZ2 3.78Å
733	W	98.8	Very high	98.7	Very high	12 Å²	12	8 Å²	8	5%	0.045	4%	0.041	C	C	.	.	G	3₁₀ helix	trans	-63.8	-26.3	178.1	60.5	-106.6	0	0	0	112.9	P731 F735 G736 W738 V768 K807 D877 C878 E926 V928 D1145	P731-W733 HydrophobicContact CB-CD2 4.3Å; P731-W733 HydrophobicContact CB-CG 4.25Å; P731-W733 HydrophobicContact CB-CZ2 4.33Å; P731-W733 VanDerWaalsContact CB-NE1 3.28Å; P731-W733 HydrophobicContact CG-CD2 4.04Å; P731-W733 HydrophobicContact CG-CG 4.5Å; P731-W733 HydrophobicContact CG-CH2 4.27Å; P731-W733 HydrophobicContact CG-CZ2 3.48Å; P731-W733 VanDerWaalsContact CG-CZ2 3.48Å; P731-W733 PolarHBondContact O-N 2.66Å; W733-F735 PolarHBondContact O-N 3.17Å; W733-G736 PolarHBondContact O-N 2.89Å; W733-G736 VanDerWaalsContact O-N 3.16Å; W733-W738 HydrophobicContact CZ3-CH2 4.34Å; W733-W738 HydrophobicContact CZ3-CZ2 4.03Å; W733-V768 HydrophobicContact CE3-CG2 3.86Å; W733-V768 HydrophobicContact CZ3-CG2 3.97Å; W733-K807 HydrophobicContact CB-CG 4.48Å; W733-K807 HydrophobicContact CD2-CB 4.44Å; W733-K807 HydrophobicContact CD2-CD 4.01Å; W733-K807 HydrophobicContact CD2-CG 3.68Å; W733-K807 HydrophobicContact CE3-CB 3.95Å; W733-K807 HydrophobicContact CE3-CD 4.35Å; W733-K807 HydrophobicContact CE3-CG 3.69Å; W733-K807 HydrophobicContact CG-CD 4.36Å; W733-K807 HydrophobicContact CG-CG 4.04Å; W733-K807 HydrophobicContact CZ2-CD 4.23Å; W733-K807 HydrophobicContact CZ3-CB 4.01Å; W733-K807 HydrophobicContact CZ3-CG 4.16Å; W733-D877 HydrophobicContact CH2-CB 4.46Å; W733-C878 HydrophobicContact CH2-CB 4.19Å; W733-E926 PolarHBondContact NE1-OE1 3.34Å; W733-E926 PolarHBondContact NE1-OE2 3.18Å; W733-V928 HydrophobicContact CH2-CG1 3.18Å; W733-V928 HydrophobicContact CZ2-CG1 3.8Å; W733-V928 HydrophobicContact CZ3-CG1 3.86Å; W733-D1145 HydrophobicContact CB-CB 4.47Å
734	S	98.9	Very high	98.6	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.059	C	C	.	.	G	3₁₀ helix	trans	-68.2	-21.4	-179.9	76.8	0	0	0	0	112.2	P730 P731 A732 G736 W738 H1002	P730-S734 WeakPolarHBondContact CB-OG 3.26Å; P731-S734 WeakPolarHBondContact O-CB 3.49Å; P731-S734 PolarHBondContact O-N 3.18Å; P731-S734 PolarHBondContact O-OG 3.45Å; A732-S734 PolarHBondContact O-N 2.77Å; S734-G736 PolarHBondContact O-N 3.47Å; S734-W738 PolarHBondContact O-NE1 3.14Å; S734-H1002 PolarHBondContact O-CD2 2.71Å; S734-H1002 PolarHBondContact OG-NE2 2.69Å
735	F	98.9	Very high	98.5	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.063	C	C	.	.	G	3₁₀ helix	trans	-74.3	-10.5	176.7	-72.7	-99	0	0	0	113.4	P730 A732 W733 F973 S1001 H1002 K1032 M1036 Y1040 A1043 M1053 P1144	P730-F735 HydrophobicContact CB-CE2 4.23Å; A732-F735 WeakPolarHBondContact O-CB 3.37Å; A732-F735 PolarHBondContact O-N 3.31Å; W733-F735 PolarHBondContact O-N 3.17Å; F735-F973 HydrophobicContact CZ-CD1 4.18Å; F735-F973 AromaticContact CZ-CE1 3.91Å; F735-F973 HydrophobicContact CZ-CE1 3.91Å; F735-S1001 VanDerWaalsContact CD1-O 3.31Å; F735-S1001 WeakPolarHBondContact CD1-O 3.24Å; F735-H1002 AromaticContact CZ-CE1 3.83Å; F735-K1032 WeakPolarHBondContact O-CD 3.07Å; F735-K1032 VanDerWaalsContact O-CE 3.25Å; F735-K1032 WeakPolarHBondContact O-CE 3.44Å; F735-K1032 PolarHBondContact O-NZ 3.28Å; F735-M1036 HydrophobicContact CB-CE 3.72Å; F735-M1036 HydrophobicContact CB-SD 3.55Å; F735-M1036 VanDerWaalsContact CB-SD 3.55Å; F735-M1036 HydrophobicContact CD1-CE 4.49Å; F735-M1036 HydrophobicContact CD1-SD 4.25Å; F735-M1036 HydrophobicContact CD2-CE 4.18Å; F735-M1036 HydrophobicContact CG-CE 3.87Å; F735-M1036 HydrophobicContact CG-SD 4Å; F735-Y1040 HydrophobicContact CD2-CD2 4.08Å; F735-Y1040 HydrophobicContact CD2-CE2 4.07Å; F735-Y1040 AromaticContact CE2-CD2 3.82Å; F735-Y1040 HydrophobicContact CE2-CD2 3.82Å; F735-Y1040 AromaticContact CE2-CE2 3.73Å; F735-Y1040 HydrophobicContact CE2-CE2 3.73Å; F735-Y1040 HydrophobicContact CZ-CD2 4.29Å; F735-A1043 HydrophobicContact CE1-CB 4.21Å; F735-A1043 HydrophobicContact CE2-CB 4.49Å; F735-A1043 HydrophobicContact CZ-CB 3.62Å; F735-M1053 HydrophobicContact CE1-CE 3.92Å; F735-M1053 HydrophobicContact CE1-SD 3.54Å; F735-M1053 VanDerWaalsContact CE1-SD 3.54Å; F735-M1053 HydrophobicContact CZ-SD 4.07Å; F735-P1144 HydrophobicContact CB-CB 4.33Å
736	G	98.8	Very high	98.4	Very high	2 Å²	2	18.3 Å²	18.3	2%	0.021	10%	0.098	C	C	.	.	S	Bend	trans	-65.8	-179.6	176.4	0	0	0	0	0	113.5	W733 S734 W738 H767	W733-G736 PolarHBondContact O-N 2.89Å; W733-G736 VanDerWaalsContact O-N 3.16Å; S734-G736 PolarHBondContact O-N 3.47Å; G736-W738 VanDerWaalsContact O-CD1 3.26Å; G736-H767 WeakPolarHBondContact CA-ND1 3.48Å
737	L	98.9	Very high	98.2	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.005	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	128.4	167.4	-175.7	61.5	0	0	0	111.7	M759 L766 H767 V768 L998 L1005 V1025 T1029	L737-M759 HydrophobicContact CD2-CE 3.71Å; L737-L766 HydrophobicContact CG-CD1 4.49Å; L737-H767 PolarHBondContact N-ND1 3.16Å; L737-H767 PolarHBondContact O-N 2.93Å; L737-H767 VanDerWaalsContact O-N 3.15Å; L737-V768 PolarHBondContact O-N 3.46Å; L737-L998 HydrophobicContact CD1-CD2 4.09Å; L737-L1005 HydrophobicContact CD1-CD1 3.91Å; L737-L1005 HydrophobicContact CD1-CG 4.09Å; L737-L1005 HydrophobicContact CD2-CD1 4Å; L737-L1005 HydrophobicContact CG-CD1 4.27Å; L737-V1025 HydrophobicContact CD2-CG1 3.94Å; L737-T1029 HydrophobicContact CB-CG2 4.07Å; L737-T1029 HydrophobicContact CD2-CG2 4.5Å
738	W	98.9	Very high	98.1	Very high	1 Å²	1	19.4 Å²	19.4	0%	0.004	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	134.5	172.5	-62.2	51.6	0	0	0	109.8	W733 S734 G736 V768 C809 V928 F930 S1003 R1004 L1005	W733-W738 HydrophobicContact CZ3-CH2 4.34Å; W733-W738 HydrophobicContact CZ3-CZ2 4.03Å; S734-W738 PolarHBondContact O-NE1 3.14Å; G736-W738 VanDerWaalsContact O-CD1 3.26Å; W738-V768 WeakPolarHBondContact CA-O 3.45Å; W738-V768 HydrophobicContact CB-CB 4.28Å; W738-V768 HydrophobicContact CD2-CB 3.55Å; W738-V768 HydrophobicContact CD2-CG1 3.69Å; W738-V768 HydrophobicContact CD2-CG2 3.82Å; W738-V768 HydrophobicContact CE3-CB 3.92Å; W738-V768 HydrophobicContact CE3-CG1 3.5Å; W738-V768 HydrophobicContact CE3-CG2 4.47Å; W738-V768 HydrophobicContact CG-CB 3.72Å; W738-V768 HydrophobicContact CG-CG1 4.34Å; W738-V768 HydrophobicContact CG-CG2 4.05Å; W738-V768 HydrophobicContact CH2-CG1 4.09Å; W738-V768 HydrophobicContact CZ2-CB 4.43Å; W738-V768 HydrophobicContact CZ2-CG1 4.24Å; W738-V768 HydrophobicContact CZ2-CG2 3.97Å; W738-V768 HydrophobicContact CZ3-CG1 3.72Å; W738-C809 HydrophobicContact CE3-CB 4.45Å; W738-C809 HydrophobicContact CZ3-CB 3.86Å; W738-V928 HydrophobicContact CH2-CG1 4.49Å; W738-F930 HydrophobicContact CD2-CE2 4.05Å; W738-F930 HydrophobicContact CE3-CD2 4.11Å; W738-F930 HydrophobicContact CE3-CE2 4.04Å; W738-F930 AromaticContact CH2-CD2 3.89Å; W738-F930 HydrophobicContact CH2-CD2 3.89Å; W738-F930 HydrophobicContact CH2-CE2 4.24Å; W738-F930 HydrophobicContact CZ2-CD2 4.3Å; W738-F930 HydrophobicContact CZ2-CE2 4.24Å; W738-F930 AromaticContact CZ3-CD2 3.77Å; W738-F930 HydrophobicContact CZ3-CD2 3.77Å; W738-F930 HydrophobicContact CZ3-CE2 4.13Å; W738-S1003 WeakPolarHBondContact CB-O 3.44Å; W738-S1003 PolarHBondContact N-O 2.93Å; W738-R1004 HydrophobicContact CB-CB 4Å; W738-R1004 HydrophobicContact CB-CG 3.87Å; W738-R1004 WeakPolarHBondContact O-CA 3.47Å; W738-L1005 PolarHBondContact O-N 3.12Å
739	L	98.8	Very high	98.1	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	145.4	170.8	-176.2	64.1	0	0	0	109.6	F755 M759 L766 V768 F769 H770 L1005 V1013	L739-F755 HydrophobicContact CD2-CB 4.12Å; L739-M759 HydrophobicContact CD2-CG 4.15Å; L739-L766 HydrophobicContact CB-CD1 3.47Å; L739-L766 VanDerWaalsContact CB-CD1 3.47Å; L739-L766 HydrophobicContact CB-CD2 4.36Å; L739-L766 HydrophobicContact CD2-CD2 4.29Å; L739-V768 PolarHBondContact N-O 3.43Å; L739-F769 HydrophobicContact CB-CD2 4.22Å; L739-F769 HydrophobicContact CB-CE2 4.45Å; L739-F769 HydrophobicContact CD2-CD2 4.35Å; L739-F769 HydrophobicContact CD2-CE2 4.02Å; L739-F769 HydrophobicContact CG-CD2 4.38Å; L739-F769 HydrophobicContact CG-CE2 4.11Å; L739-F769 CarbonylContact O-C 3.53Å; L739-F769 WeakPolarHBondContact O-CA 3.41Å; L739-H770 PolarHBondContact O-N 3.16Å; L739-L1005 HydrophobicContact CD1-CB 3.7Å; L739-L1005 HydrophobicContact CD1-CD1 4.13Å; L739-V1013 HydrophobicContact CD1-CG1 4.14Å; L739-V1013 HydrophobicContact CD2-CG1 4.02Å
740	T	98.8	Very high	98	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.012	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	164.5	179	71.2	0	0	0	0	111.4	S742 H770 R1004 L1005 H1006	T740-S742 PolarHBondContact O-N 3.06Å; T740-S742 PolarHBondContact OG1-N 3.47Å; T740-H770 CarbonylContact C-O 3.54Å; T740-H770 WeakPolarHBondContact CA-O 3.45Å; T740-H770 HydrophobicContact CG2-CB 3.92Å; T740-R1004 HydrophobicContact CG2-CG 3.81Å; T740-L1005 WeakPolarHBondContact CG2-O 3.15Å; T740-L1005 PolarHBondContact N-O 3.22Å; T740-L1005 PolarHBondContact OG1-O 3.11Å; T740-L1005 VanDerWaalsContact OG1-O 3.05Å; T740-H1006 HydrophobicContact CG2-CB 3.66Å; T740-H1006 WeakPolarHBondContact OG1-CA 3.49Å; T740-H1006 PolarHBondContact OG1-ND1 3.47Å
741	T	98.1	Very high	98	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.006	14%	0.142	C	C	.	.			trans	-64.7	-6.7	164.3	52.6	0	0	0	0	113.8	T745 Y747 V752 F769 H770 F771 D772 Y1011	T741-T745 PolarHBondContact O-OG1 3.02Å; T741-Y747 HydrophobicContact CG2-CD1 4.44Å; T741-Y747 HydrophobicContact CG2-CD2 3.61Å; T741-Y747 HydrophobicContact CG2-CE2 4.21Å; T741-Y747 HydrophobicContact CG2-CG 3.74Å; T741-V752 HydrophobicContact CG2-CG2 4.02Å; T741-F769 HydrophobicContact CG2-CE1 3.72Å; T741-F769 HydrophobicContact CG2-CZ 3.97Å; T741-H770 PolarHBondContact N-O 3.41Å; T741-F771 HydrophobicContact CG2-CD1 4.23Å; T741-D772 WeakPolarHBondContact OG1-CB 3.44Å; T741-D772 PolarHBondContact OG1-N 3.47Å; T741-Y1011 WeakPolarHBondContact O-CE1 3.48Å
742	S	97.5	Very high	97.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.141	C	C	.	.			trans	59.3	176.4	-155.5	-71.1	0	0	0	0	112.3	T740 D772 G1007 S1010 Y1011	T740-S742 PolarHBondContact O-N 3.06Å; T740-S742 PolarHBondContact OG1-N 3.47Å; S742-D772 VanDerWaalsContact O-CB 3.28Å; S742-D772 WeakPolarHBondContact O-CB 3.46Å; S742-G1007 CarbonylContact C-O 3.56Å; S742-G1007 VanDerWaalsContact CA-O 3.28Å; S742-G1007 WeakPolarHBondContact CA-O 3.23Å; S742-G1007 WeakPolarHBondContact CB-O 3.36Å; S742-G1007 PolarHBondContact OG-N 3.03Å; S742-G1007 PolarHBondContact OG-O 2.83Å; S742-S1010 WeakPolarHBondContact CB-O 3.36Å; S742-S1010 PolarHBondContact OG-O 2.94Å; S742-Y1011 WeakPolarHBondContact OG-CA 3.23Å
743	F	97.7	Very high	97.8	Very high	36 Å²	36	25.2 Å²	25.2	16%	0.158	14%	0.144	C	C	.	.	S	Bend	trans	-83.8	-67.4	-171	174.6	-143.4	0	0	0	114.1	Y747 D772 C773 F774 W781 W846 F981 G1007 S1008	F743-Y747 PolarHBondContact O-OH 2.92Å; F743-D772 WeakPolarHBondContact CA-OD2 3.42Å; F743-D772 WeakPolarHBondContact CB-OD2 3.05Å; F743-C773 HydrophobicContact CD2-CB 4.19Å; F743-C773 HydrophobicContact CE2-CB 3.89Å; F743-C773 VanDerWaalsContact CE2-SG 3.55Å; F743-F774 HydrophobicContact CE2-CE2 4.43Å; F743-F774 WeakPolarHBondContact O-CD2 3.34Å; F743-W781 HydrophobicContact CE2-CH2 4Å; F743-W781 AromaticContact CE2-CZ3 3.99Å; F743-W781 HydrophobicContact CE2-CZ3 3.99Å; F743-W781 HydrophobicContact CZ-CZ3 4.3Å; F743-W846 HydrophobicContact CE1-CZ3 4.49Å; F743-W846 AromaticContact CE2-CH2 3.85Å; F743-W846 HydrophobicContact CE2-CH2 3.85Å; F743-W846 HydrophobicContact CE2-CZ3 4.4Å; F743-W846 AromaticContact CZ-CH2 3.67Å; F743-W846 HydrophobicContact CZ-CH2 3.67Å; F743-W846 AromaticContact CZ-CZ3 3.75Å; F743-W846 HydrophobicContact CZ-CZ3 3.75Å; F743-F981 HydrophobicContact CB-CE2 3.97Å; F743-F981 HydrophobicContact CB-CZ 4.17Å; F743-F981 HydrophobicContact CD1-CE2 4.43Å; F743-F981 AromaticContact CD1-CZ 3.77Å; F743-F981 HydrophobicContact CD1-CZ 3.77Å; F743-F981 HydrophobicContact CG-CZ 4.28Å; F743-G1007 PolarHBondContact N-O 2.95Å; F743-S1008 PolarHBondContact N-O 3.27Å
744	T	97.1	Very high	97.8	Very high	62 Å²	62	27.7 Å²	27.7	38%	0.38	16%	0.163	S	C	.	.	S	Bend	trans	-103.5	11.2	-172.3	54	0	0	0	0	114.2	F774 S1008 K1009	T744-F774 HydrophobicContact CG2-CE2 4.29Å; T744-S1008 PolarHBondContact N-O 3.48Å; T744-S1008 PolarHBondContact OG1-O 3.33Å; T744-K1009 WeakPolarHBondContact OG1-CG 3.36Å
745	T	97.2	Very high	97.7	Very high	14 Å²	14	28.6 Å²	28.6	9%	0.086	17%	0.168	C	C	.	.	S	Bend	trans	-65.7	166.4	167.5	45.9	0	0	0	0	110.7	T741 Y747 Y1011	T741-T745 PolarHBondContact O-OG1 3.02Å; T745-Y747 WeakPolarHBondContact O-CD1 3.46Å; T745-Y747 VanDerWaalsContact O-CE1 3.25Å; T745-Y747 WeakPolarHBondContact O-CE1 3.28Å; T745-Y1011 HydrophobicContact CG2-CD1 4.19Å; T745-Y1011 HydrophobicContact CG2-CD2 4.22Å; T745-Y1011 HydrophobicContact CG2-CE1 3.91Å; T745-Y1011 HydrophobicContact CG2-CE2 3.96Å; T745-Y1011 HydrophobicContact CG2-CG 4.35Å
746	N	96.2	Very high	97.7	Very high	146 Å²	146	29.1 Å²	29.1	78%	0.781	17%	0.17	S	C	*	.			trans	-92.2	121.2	169.5	-63.3	115	0	0	0	109.8	Y1011	N746-Y1011 PolarHBondContact O-OH 3.4Å
747	Y	95.7	Very high	97.6	Very high	10 Å²	10	31.8 Å²	31.8	4%	0.039	18%	0.184	C	C	.	.			trans	-132.7	132.7	179.2	39.6	-79.7	0	0	0	110.2	T741 F743 T745 D772 F774 T790 F791	T741-Y747 HydrophobicContact CG2-CD1 4.44Å; T741-Y747 HydrophobicContact CG2-CD2 3.61Å; T741-Y747 HydrophobicContact CG2-CE2 4.21Å; T741-Y747 HydrophobicContact CG2-CG 3.74Å; F743-Y747 PolarHBondContact O-OH 2.92Å; T745-Y747 WeakPolarHBondContact O-CD1 3.46Å; T745-Y747 VanDerWaalsContact O-CE1 3.25Å; T745-Y747 WeakPolarHBondContact O-CE1 3.28Å; Y747-D772 PolarHBondContact OH-O 3.29Å; Y747-D772 VanDerWaalsContact OH-O 3.14Å; Y747-F774 HydrophobicContact CE1-CB 4.13Å; Y747-F774 HydrophobicContact CE1-CD2 4.43Å; Y747-F774 HydrophobicContact CE2-CB 3.91Å; Y747-F774 VanDerWaalsContact CZ-CB 3.49Å; Y747-F774 WeakPolarHBondContact OH-CA 3.39Å; Y747-F774 VanDerWaalsContact OH-CB 3.25Å; Y747-F774 WeakPolarHBondContact OH-CB 3.48Å; Y747-F774 PolarHBondContact OH-N 3.37Å; Y747-T790 WeakPolarHBondContact O-CG2 3.2Å; Y747-F791 HydrophobicContact CD2-CE2 4.42Å; Y747-F791 AromaticContact CD2-CZ 3.94Å; Y747-F791 HydrophobicContact CD2-CZ 3.94Å; Y747-F791 WeakPolarHBondContact O-CZ 3.2Å
748	D	97.2	Very high	97.6	Very high	65 Å²	65	31.9 Å²	31.9	35%	0.348	19%	0.185	S	C	.	.			trans	-134.5	179.8	169.9	57.1	18.5	0	0	0	108.5	A750 T751 V752 T790	D748-A750 PolarHBondContact O-N 3.48Å; D748-A750 PolarHBondContact OD1-N 3.33Å; D748-T751 PolarHBondContact O-N 2.94Å; D748-T751 WeakPolarHBondContact OD1-CB 3.45Å; D748-T751 PolarHBondContact OD1-N 3.43Å; D748-T751 PolarHBondContact OD1-OG1 3.31Å; D748-V752 VanDerWaalsContact O-CG2 3.32Å; D748-V752 WeakPolarHBondContact O-CG2 3.26Å; D748-V752 PolarHBondContact O-N 2.96Å; D748-T790 HydrophobicContact CB-CG2 3.95Å
749	E	97.9	Very high	97.6	Very high	42 Å²	42	31.9 Å²	31.9	20%	0.196	19%	0.185	C	C	.	.	H	α-helix	trans	-57.2	-37.2	179.8	179.7	165.8	-163.6	0	0	112.8	N753 M797 R800	E749-N753 VanDerWaalsContact CG-ND2 3.35Å; E749-N753 WeakPolarHBondContact CG-ND2 3.46Å; E749-N753 WeakPolarHBondContact O-CB 3.3Å; E749-N753 PolarHBondContact O-N 2.93Å; E749-N753 PolarHBondContact O-ND2 2.66Å; E749-M797 HydrophobicContact CB-CG 4.21Å; E749-M797 HydrophobicContact CB-SD 3.76Å; E749-M797 HydrophobicContact CG-CB 4.34Å; E749-M797 HydrophobicContact CG-CG 3.77Å; E749-M797 HydrophobicContact CG-SD 3.99Å; E749-M797 WeakPolarHBondContact OE1-CA 3.43Å; E749-R800 VanDerWaalsContact CD-NH2 3.3Å; E749-R800 IonicContact OE1-CZ 3.21Å; E749-R800 IonicContact OE1-NE 2.72Å; E749-R800 PolarHBondContact OE1-NE 3.12Å; E749-R800 IonicContact OE1-NH2 2.91Å; E749-R800 PolarHBondContact OE1-NH2 2.76Å; E749-R800 IonicContact OE2-CZ 3.88Å; E749-R800 IonicContact OE2-NH2 2.89Å; E749-R800 PolarHBondContact OE2-NH2 3.23Å
750	A	97.5	Very high	97.6	Very high	68 Å²	68	34.9 Å²	34.9	56%	0.562	21%	0.21	S	C	*	.	H	α-helix	trans	-66.9	-44.8	179.6	0	0	0	0	0	111.6	D748 N753 S754	D748-A750 PolarHBondContact O-N 3.48Å; D748-A750 PolarHBondContact OD1-N 3.33Å; A750-N753 PolarHBondContact O-N 2.91Å; A750-S754 PolarHBondContact O-N 3.47Å
751	T	96.9	Very high	97.5	Very high	34 Å²	34	41.6 Å²	41.6	21%	0.209	24%	0.241	C	C	.	.	H	α-helix	trans	-62.5	-45	177.5	-57.6	0	0	0	0	110.9	D748 S754 F755 Y1011	D748-T751 PolarHBondContact O-N 2.94Å; D748-T751 WeakPolarHBondContact OD1-CB 3.45Å; D748-T751 PolarHBondContact OD1-N 3.43Å; D748-T751 PolarHBondContact OD1-OG1 3.31Å; T751-S754 PolarHBondContact O-N 3.47Å; T751-S754 PolarHBondContact O-OG 2.92Å; T751-F755 HydrophobicContact CG2-CD2 4.24Å; T751-F755 HydrophobicContact CG2-CE2 3.45Å; T751-F755 VanDerWaalsContact CG2-CE2 3.45Å; T751-F755 HydrophobicContact CG2-CZ 4.01Å; T751-F755 VanDerWaalsContact O-CD2 3.24Å; T751-F755 WeakPolarHBondContact O-CD2 3.34Å; T751-F755 PolarHBondContact O-N 3.28Å; T751-Y1011 WeakPolarHBondContact CG2-OH 3.35Å
752	V	97.3	Very high	97.6	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.006	26%	0.255	C	S	.	.	H	α-helix	trans	-59.4	-49.2	175.6	167.9	0	0	0	0	111.2	T741 D748 S754 F755 I756 F769 F771 L801	T741-V752 HydrophobicContact CG2-CG2 4.02Å; D748-V752 VanDerWaalsContact O-CG2 3.32Å; D748-V752 WeakPolarHBondContact O-CG2 3.26Å; D748-V752 PolarHBondContact O-N 2.96Å; V752-S754 VanDerWaalsContact C-N 3.29Å; V752-S754 PolarHBondContact O-N 2.93Å; V752-F755 PolarHBondContact O-N 3.04Å; V752-I756 HydrophobicContact CG1-CD1 3.64Å; V752-I756 WeakPolarHBondContact O-CG1 3.32Å; V752-I756 PolarHBondContact O-N 3.36Å; V752-I756 VanDerWaalsContact O-N 3.12Å; V752-F769 HydrophobicContact CB-CE1 4.15Å; V752-F769 HydrophobicContact CB-CZ 4.17Å; V752-F769 HydrophobicContact CG1-CD1 3.96Å; V752-F769 HydrophobicContact CG1-CE1 3.47Å; V752-F769 VanDerWaalsContact CG1-CE1 3.47Å; V752-F769 HydrophobicContact CG1-CE2 4.34Å; V752-F769 HydrophobicContact CG1-CZ 3.7Å; V752-F769 HydrophobicContact CG2-CE1 3.7Å; V752-F769 HydrophobicContact CG2-CZ 3.88Å; V752-F771 HydrophobicContact CG1-CZ 4.19Å; V752-F771 HydrophobicContact CG2-CE1 3.84Å; V752-F771 HydrophobicContact CG2-CZ 4.35Å; V752-L801 HydrophobicContact CG1-CD1 3.8Å; V752-L801 HydrophobicContact CG1-CD2 4.31Å
753	N	97.4	Very high	97.6	Very high	31 Å²	31	50.4 Å²	50.4	17%	0.166	28%	0.283	C	S	.	.	H	α-helix	trans	-60.8	-39.1	176.8	-79.9	-66.4	0	0	0	111.7	E749 A750 F755 I756 D757	E749-N753 VanDerWaalsContact CG-ND2 3.35Å; E749-N753 WeakPolarHBondContact CG-ND2 3.46Å; E749-N753 WeakPolarHBondContact O-CB 3.3Å; E749-N753 PolarHBondContact O-N 2.93Å; E749-N753 PolarHBondContact O-ND2 2.66Å; A750-N753 PolarHBondContact O-N 2.91Å; N753-F755 VanDerWaalsContact C-N 3.27Å; N753-F755 PolarHBondContact O-N 3.15Å; N753-I756 PolarHBondContact O-N 3.05Å; N753-D757 VanDerWaalsContact O-CB 3.29Å; N753-D757 WeakPolarHBondContact O-CB 3.3Å; N753-D757 PolarHBondContact O-N 3.39Å
754	S	97.9	Very high	97.7	Very high	64 Å²	64	49 Å²	49	45%	0.448	28%	0.276	S	S	.	.	H	α-helix	trans	-59.6	-36	178.9	81.2	0	0	0	0	113.2	A750 T751 V752 G758	A750-S754 PolarHBondContact O-N 3.47Å; T751-S754 PolarHBondContact O-N 3.47Å; T751-S754 PolarHBondContact O-OG 2.92Å; V752-S754 VanDerWaalsContact C-N 3.29Å; V752-S754 PolarHBondContact O-N 2.93Å; S754-G758 PolarHBondContact O-N 3.31Å
755	F	97.4	Very high	97.7	Very high	20 Å²	20	46.4 Å²	46.4	9%	0.088	26%	0.261	C	S	.	.	H	α-helix	trans	-76.4	-41	175.9	-62.4	-48.3	0	0	0	112.4	L739 T751 V752 N753 G758 M759 Y1011 V1013 W1015	L739-F755 HydrophobicContact CD2-CB 4.12Å; T751-F755 HydrophobicContact CG2-CD2 4.24Å; T751-F755 HydrophobicContact CG2-CE2 3.45Å; T751-F755 VanDerWaalsContact CG2-CE2 3.45Å; T751-F755 HydrophobicContact CG2-CZ 4.01Å; T751-F755 VanDerWaalsContact O-CD2 3.24Å; T751-F755 WeakPolarHBondContact O-CD2 3.34Å; T751-F755 PolarHBondContact O-N 3.28Å; V752-F755 PolarHBondContact O-N 3.04Å; N753-F755 VanDerWaalsContact C-N 3.27Å; N753-F755 PolarHBondContact O-N 3.15Å; F755-G758 PolarHBondContact O-N 3.42Å; F755-M759 VanDerWaalsContact O-CG 3.24Å; F755-M759 WeakPolarHBondContact O-CG 3.2Å; F755-M759 PolarHBondContact O-N 3.02Å; F755-Y1011 HydrophobicContact CD2-CD1 4.22Å; F755-Y1011 HydrophobicContact CD2-CE1 4.16Å; F755-Y1011 HydrophobicContact CE1-CD1 4.28Å; F755-Y1011 HydrophobicContact CE1-CD2 4.17Å; F755-Y1011 HydrophobicContact CE1-CG 4.02Å; F755-Y1011 AromaticContact CE2-CD1 3.36Å; F755-Y1011 HydrophobicContact CE2-CD1 3.36Å; F755-Y1011 HydrophobicContact CE2-CD2 4.22Å; F755-Y1011 AromaticContact CE2-CE1 3.1Å; F755-Y1011 HydrophobicContact CE2-CE1 3.1Å; F755-Y1011 HydrophobicContact CE2-CE2 4.01Å; F755-Y1011 AromaticContact CE2-CG 3.9Å; F755-Y1011 HydrophobicContact CE2-CG 3.9Å; F755-Y1011 AromaticContact CE2-CZ 3.43Å; F755-Y1011 VanDerWaalsContact CE2-CZ 3.43Å; F755-Y1011 AromaticContact CZ-CD1 3.42Å; F755-Y1011 HydrophobicContact CZ-CD1 3.42Å; F755-Y1011 VanDerWaalsContact CZ-CD1 3.42Å; F755-Y1011 AromaticContact CZ-CD2 3.46Å; F755-Y1011 HydrophobicContact CZ-CD2 3.46Å; F755-Y1011 VanDerWaalsContact CZ-CD2 3.46Å; F755-Y1011 AromaticContact CZ-CE1 3.42Å; F755-Y1011 HydrophobicContact CZ-CE1 3.42Å; F755-Y1011 VanDerWaalsContact CZ-CE1 3.42Å; F755-Y1011 AromaticContact CZ-CE2 3.46Å; F755-Y1011 HydrophobicContact CZ-CE2 3.46Å; F755-Y1011 VanDerWaalsContact CZ-CE2 3.46Å; F755-Y1011 AromaticContact CZ-CG 3.42Å; F755-Y1011 HydrophobicContact CZ-CG 3.42Å; F755-Y1011 VanDerWaalsContact CZ-CG 3.42Å; F755-Y1011 AromaticContact CZ-CZ 3.4Å; F755-Y1011 VanDerWaalsContact CZ-CZ 3.4Å; F755-V1013 HydrophobicContact CB-CG1 4.2Å; F755-V1013 HydrophobicContact CD1-CG1 3.64Å; F755-V1013 HydrophobicContact CD1-CG2 4.2Å; F755-V1013 HydrophobicContact CE1-CG1 4.35Å; F755-V1013 HydrophobicContact CE1-CG2 4.2Å; F755-V1013 HydrophobicContact CG-CG1 4.07Å; F755-W1015 HydrophobicContact CD1-CH2 4.39Å; F755-W1015 AromaticContact CD1-CZ2 3.79Å; F755-W1015 HydrophobicContact CD1-CZ2 3.79Å
756	I	97.8	Very high	97.8	Very high	10 Å²	10	47.1 Å²	47.1	5%	0.051	26%	0.264	C	S	.	.	H	α-helix	trans	-64.5	-46.7	179.3	-68.5	168	0	0	0	110.3	V752 N753 M759 A760 L766 F769 L801 K804 L806	V752-I756 HydrophobicContact CG1-CD1 3.64Å; V752-I756 WeakPolarHBondContact O-CG1 3.32Å; V752-I756 PolarHBondContact O-N 3.36Å; V752-I756 VanDerWaalsContact O-N 3.12Å; N753-I756 PolarHBondContact O-N 3.05Å; I756-M759 PolarHBondContact O-N 3Å; I756-A760 PolarHBondContact O-N 3.42Å; I756-A760 VanDerWaalsContact O-N 3.1Å; I756-L766 HydrophobicContact CG1-CD2 4.14Å; I756-F769 HydrophobicContact CD1-CB 4.49Å; I756-F769 HydrophobicContact CD1-CD2 3.91Å; I756-F769 HydrophobicContact CD1-CE2 4.31Å; I756-F769 HydrophobicContact CD1-CG 4.08Å; I756-F769 HydrophobicContact CG1-CD2 3.79Å; I756-F769 HydrophobicContact CG1-CE2 4.06Å; I756-F769 HydrophobicContact CG1-CG 4.44Å; I756-L801 HydrophobicContact CD1-CD1 4.16Å; I756-L801 HydrophobicContact CD1-CD2 3.51Å; I756-L801 HydrophobicContact CD1-CG 4.35Å; I756-K804 HydrophobicContact CG2-CD 3.92Å; I756-L806 HydrophobicContact CD1-CD1 3.67Å; I756-L806 HydrophobicContact CG1-CD1 4.01Å; I756-L806 HydrophobicContact CG2-CD1 3.78Å
757	D	98	Very high	97.9	Very high	59 Å²	59	40.9 Å²	40.9	32%	0.316	23%	0.23	S	C	.	.	H	α-helix	trans	-66.5	-41.6	177	-64.1	-19.4	0	0	0	110.2	N753 M759 A760 E761 K804	N753-D757 VanDerWaalsContact O-CB 3.29Å; N753-D757 WeakPolarHBondContact O-CB 3.3Å; N753-D757 PolarHBondContact O-N 3.39Å; D757-M759 VanDerWaalsContact C-N 3.29Å; D757-M759 PolarHBondContact O-N 3.06Å; D757-A760 PolarHBondContact O-N 3.23Å; D757-A760 VanDerWaalsContact O-N 3.09Å; D757-E761 WeakPolarHBondContact O-CB 3.13Å; D757-E761 VanDerWaalsContact O-CG 3.26Å; D757-E761 WeakPolarHBondContact O-CG 3.3Å; D757-E761 PolarHBondContact O-N 2.95Å; D757-K804 IonicContact OD1-NZ 2.58Å; D757-K804 PolarHBondContact OD1-NZ 3.08Å; D757-K804 IonicContact OD2-NZ 3.71Å
758	G	98.4	Very high	98.1	Very high	3 Å²	3	40.4 Å²	40.4	3%	0.031	23%	0.228	C	C	.	.	H	α-helix	trans	-60.1	-34.8	175.5	0	0	0	0	0	114	S754 F755 R762	S754-G758 PolarHBondContact O-N 3.31Å; F755-G758 PolarHBondContact O-N 3.42Å; G758-R762 VanDerWaalsContact CA-NH1 3.33Å; G758-R762 WeakPolarHBondContact O-CB 3.41Å; G758-R762 WeakPolarHBondContact O-CD 3.25Å; G758-R762 WeakPolarHBondContact O-CG 3.47Å; G758-R762 PolarHBondContact O-N 3.14Å; G758-R762 PolarHBondContact O-NH1 3.12Å
759	M	98.6	Very high	98.2	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-67.7	-46.9	172	-70	-71.8	-73.5	0	0	111	L737 L739 F755 I756 D757 R762 N763 L764 L766 W1015	L737-M759 HydrophobicContact CD2-CE 3.71Å; L739-M759 HydrophobicContact CD2-CG 4.15Å; F755-M759 VanDerWaalsContact O-CG 3.24Å; F755-M759 WeakPolarHBondContact O-CG 3.2Å; F755-M759 PolarHBondContact O-N 3.02Å; I756-M759 PolarHBondContact O-N 3Å; D757-M759 VanDerWaalsContact C-N 3.29Å; D757-M759 PolarHBondContact O-N 3.06Å; M759-R762 PolarHBondContact O-N 2.95Å; M759-N763 PolarHBondContact O-N 2.98Å; M759-L764 HydrophobicContact CB-CB 4.25Å; M759-L764 HydrophobicContact CE-CB 3.54Å; M759-L764 HydrophobicContact CE-CD1 4.2Å; M759-L764 WeakPolarHBondContact O-CB 3.39Å; M759-L764 PolarHBondContact O-N 2.95Å; M759-L764 HydrophobicContact SD-CB 3.87Å; M759-L764 HydrophobicContact SD-CD1 3.58Å; M759-L764 VanDerWaalsContact SD-CD1 3.58Å; M759-L764 HydrophobicContact SD-CG 4.38Å; M759-L766 HydrophobicContact CE-CB 4.38Å; M759-L766 HydrophobicContact CE-CD1 4.44Å; M759-L766 HydrophobicContact CG-CD2 4.39Å; M759-W1015 HydrophobicContact CG-CH2 4.16Å; M759-W1015 HydrophobicContact CG-CZ3 4.02Å; M759-W1015 HydrophobicContact SD-CH2 4.41Å; M759-W1015 HydrophobicContact SD-CZ3 3.77Å
760	A	98.1	Very high	98.2	Very high	64 Å²	64	35.3 Å²	35.3	53%	0.529	20%	0.203	S	C	.	.	H	α-helix	trans	-62.5	-46.6	179.2	0	0	0	0	0	112.5	I756 D757 R762 N763	I756-A760 PolarHBondContact O-N 3.42Å; I756-A760 VanDerWaalsContact O-N 3.1Å; D757-A760 PolarHBondContact O-N 3.23Å; D757-A760 VanDerWaalsContact O-N 3.09Å; A760-R762 PolarHBondContact O-N 2.87Å; A760-R762 VanDerWaalsContact O-N 3.17Å; A760-N763 PolarHBondContact O-N 3.23Å
761	E	98.4	Very high	98.3	Very high	142 Å²	142	32.1 Å²	32.1	66%	0.664	18%	0.176	S	C	*	.	H	α-helix	trans	-57.1	-30.5	177	-73.6	169.1	-177.6	0	0	113.1	D757	D757-E761 WeakPolarHBondContact O-CB 3.13Å; D757-E761 VanDerWaalsContact O-CG 3.26Å; D757-E761 WeakPolarHBondContact O-CG 3.3Å; D757-E761 PolarHBondContact O-N 2.95Å
762	R	98.6	Very high	98.4	Very high	79 Å²	79	30.5 Å²	30.5	30%	0.298	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	7.6	-179.1	-69.3	168.5	-176.7	67.5	3.2	112.9	G758 M759 A760 L764 R1026	G758-R762 VanDerWaalsContact CA-NH1 3.33Å; G758-R762 WeakPolarHBondContact O-CB 3.41Å; G758-R762 WeakPolarHBondContact O-CD 3.25Å; G758-R762 WeakPolarHBondContact O-CG 3.47Å; G758-R762 PolarHBondContact O-N 3.14Å; G758-R762 PolarHBondContact O-NH1 3.12Å; M759-R762 PolarHBondContact O-N 2.95Å; A760-R762 PolarHBondContact O-N 2.87Å; A760-R762 VanDerWaalsContact O-N 3.17Å; R762-L764 VanDerWaalsContact C-N 3.31Å; R762-L764 HydrophobicContact CB-CD1 3.89Å; R762-L764 HydrophobicContact CB-CG 3.8Å; R762-L764 PolarHBondContact O-N 3.34Å; R762-R1026 PolarHBondContact O-NE 3.01Å; R762-R1026 VanDerWaalsContact O-NE 3.08Å; R762-R1026 PolarHBondContact O-NH2 2.91Å
763	N	98.5	Very high	98.4	Very high	108 Å²	108	30.5 Å²	30.5	58%	0.578	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	48.9	-174	-56.6	-60.9	0	0	0	111.6	M759 A760 R1026	M759-N763 PolarHBondContact O-N 2.98Å; A760-N763 PolarHBondContact O-N 3.23Å; N763-R1026 WeakPolarHBondContact O-CD 3.3Å; N763-R1026 WeakPolarHBondContact O-CG 3.47Å; N763-R1026 PolarHBondContact O-NE 3.27Å
764	L	98.8	Very high	98.5	Very high	5 Å²	5	32.4 Å²	32.4	3%	0.026	17%	0.173	C	C	.	.			trans	-107.1	104.5	176.4	-56.1	177.8	0	0	0	108.3	M759 R762 L766 P1014 C1022 V1025 R1026	M759-L764 HydrophobicContact CB-CB 4.25Å; M759-L764 HydrophobicContact CE-CB 3.54Å; M759-L764 HydrophobicContact CE-CD1 4.2Å; M759-L764 WeakPolarHBondContact O-CB 3.39Å; M759-L764 PolarHBondContact O-N 2.95Å; M759-L764 HydrophobicContact SD-CB 3.87Å; M759-L764 HydrophobicContact SD-CD1 3.58Å; M759-L764 VanDerWaalsContact SD-CD1 3.58Å; M759-L764 HydrophobicContact SD-CG 4.38Å; R762-L764 VanDerWaalsContact C-N 3.31Å; R762-L764 HydrophobicContact CB-CD1 3.89Å; R762-L764 HydrophobicContact CB-CG 3.8Å; R762-L764 PolarHBondContact O-N 3.34Å; L764-L766 PolarHBondContact O-N 3.4Å; L764-P1014 HydrophobicContact CD1-CG 3.5Å; L764-P1014 VanDerWaalsContact CD1-CG 3.5Å; L764-C1022 VanDerWaalsContact CD2-O 3.27Å; L764-C1022 WeakPolarHBondContact CD2-O 3.09Å; L764-V1025 HydrophobicContact CD2-CB 4.44Å; L764-V1025 HydrophobicContact CD2-CG1 4.31Å; L764-R1026 HydrophobicContact CD2-CB 3.59Å; L764-R1026 HydrophobicContact CD2-CG 4.24Å
765	P	98.7	Very high	98.5	Very high	9 Å²	9	29.4 Å²	29.4	6%	0.058	15%	0.152	C	C	.	.			trans	-56.9	132.2	179.6	-24.8	33.5	0	0	0	111.9	T1029 Q1142	P765-T1029 HydrophobicContact CB-CG2 3.79Å; P765-T1029 HydrophobicContact CG-CG2 4.16Å; P765-Q1142 WeakPolarHBondContact CB-O 3.39Å
766	L	98.8	Very high	98.6	Very high	28 Å²	28	28.4 Å²	28.4	15%	0.147	15%	0.148	C	C	.	.			trans	-134.6	136.9	179.5	-179.3	67.7	0	0	0	108.7	L737 L739 I756 M759 L764 F769 L806	L737-L766 HydrophobicContact CG-CD1 4.49Å; L739-L766 HydrophobicContact CB-CD1 3.47Å; L739-L766 VanDerWaalsContact CB-CD1 3.47Å; L739-L766 HydrophobicContact CB-CD2 4.36Å; L739-L766 HydrophobicContact CD2-CD2 4.29Å; I756-L766 HydrophobicContact CG1-CD2 4.14Å; M759-L766 HydrophobicContact CE-CB 4.38Å; M759-L766 HydrophobicContact CE-CD1 4.44Å; M759-L766 HydrophobicContact CG-CD2 4.39Å; L764-L766 PolarHBondContact O-N 3.4Å; L766-F769 HydrophobicContact CD2-CD2 4.43Å; L766-L806 HydrophobicContact CB-CD2 4.27Å; L766-L806 HydrophobicContact CD2-CD2 4Å; L766-L806 HydrophobicContact CG-CD2 3.76Å; L766-L806 WeakPolarHBondContact O-CD2 3.43Å
767	H	98.9	Very high	98.6	Very high	15 Å²	15	30.5 Å²	30.5	7%	0.069	16%	0.156	C	C	.	.			trans	-126.5	-36.8	-167.7	-45.3	85.9	0	0	0	112.2	G736 L737 K807 Q1142 P1144	G736-H767 WeakPolarHBondContact CA-ND1 3.48Å; L737-H767 PolarHBondContact N-ND1 3.16Å; L737-H767 PolarHBondContact O-N 2.93Å; L737-H767 VanDerWaalsContact O-N 3.15Å; H767-K807 PolarHBondContact O-N 3.49Å; H767-Q1142 PolarHBondContact NE2-O 3.23Å; H767-P1144 WeakPolarHBondContact CD2-CD 3.18Å; H767-P1144 VanDerWaalsContact NE2-CD 3.34Å; H767-P1144 WeakPolarHBondContact NE2-CD 3.46Å
768	V	98.9	Very high	98.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	133.1	178.7	-166.7	0	0	0	0	110	W733 L737 W738 L739 K807 C809	W733-V768 HydrophobicContact CE3-CG2 3.86Å; W733-V768 HydrophobicContact CZ3-CG2 3.97Å; L737-V768 PolarHBondContact O-N 3.46Å; W738-V768 WeakPolarHBondContact CA-O 3.45Å; W738-V768 HydrophobicContact CB-CB 4.28Å; W738-V768 HydrophobicContact CD2-CB 3.55Å; W738-V768 HydrophobicContact CD2-CG1 3.69Å; W738-V768 HydrophobicContact CD2-CG2 3.82Å; W738-V768 HydrophobicContact CE3-CB 3.92Å; W738-V768 HydrophobicContact CE3-CG1 3.5Å; W738-V768 HydrophobicContact CE3-CG2 4.47Å; W738-V768 HydrophobicContact CG-CB 3.72Å; W738-V768 HydrophobicContact CG-CG1 4.34Å; W738-V768 HydrophobicContact CG-CG2 4.05Å; W738-V768 HydrophobicContact CH2-CG1 4.09Å; W738-V768 HydrophobicContact CZ2-CB 4.43Å; W738-V768 HydrophobicContact CZ2-CG1 4.24Å; W738-V768 HydrophobicContact CZ2-CG2 3.97Å; W738-V768 HydrophobicContact CZ3-CG1 3.72Å; L739-V768 PolarHBondContact N-O 3.43Å; V768-K807 VanDerWaalsContact CA-O 3.31Å; V768-K807 WeakPolarHBondContact CA-O 3.39Å; V768-K807 HydrophobicContact CG1-CB 4.27Å; V768-K807 WeakPolarHBondContact CG1-O 3.43Å; V768-K807 HydrophobicContact CG2-CB 4.14Å; V768-C809 HydrophobicContact CG1-CB 4.24Å
769	F	98.8	Very high	98.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	132.7	170.4	-163.5	-88.8	0	0	0	110.4	L739 T741 V752 I756 L766 F771 L806 K807 I808 C809	L739-F769 HydrophobicContact CB-CD2 4.22Å; L739-F769 HydrophobicContact CB-CE2 4.45Å; L739-F769 HydrophobicContact CD2-CD2 4.35Å; L739-F769 HydrophobicContact CD2-CE2 4.02Å; L739-F769 HydrophobicContact CG-CD2 4.38Å; L739-F769 HydrophobicContact CG-CE2 4.11Å; L739-F769 CarbonylContact O-C 3.53Å; L739-F769 WeakPolarHBondContact O-CA 3.41Å; T741-F769 HydrophobicContact CG2-CE1 3.72Å; T741-F769 HydrophobicContact CG2-CZ 3.97Å; V752-F769 HydrophobicContact CB-CE1 4.15Å; V752-F769 HydrophobicContact CB-CZ 4.17Å; V752-F769 HydrophobicContact CG1-CD1 3.96Å; V752-F769 HydrophobicContact CG1-CE1 3.47Å; V752-F769 VanDerWaalsContact CG1-CE1 3.47Å; V752-F769 HydrophobicContact CG1-CE2 4.34Å; V752-F769 HydrophobicContact CG1-CZ 3.7Å; V752-F769 HydrophobicContact CG2-CE1 3.7Å; V752-F769 HydrophobicContact CG2-CZ 3.88Å; I756-F769 HydrophobicContact CD1-CB 4.49Å; I756-F769 HydrophobicContact CD1-CD2 3.91Å; I756-F769 HydrophobicContact CD1-CE2 4.31Å; I756-F769 HydrophobicContact CD1-CG 4.08Å; I756-F769 HydrophobicContact CG1-CD2 3.79Å; I756-F769 HydrophobicContact CG1-CE2 4.06Å; I756-F769 HydrophobicContact CG1-CG 4.44Å; L766-F769 HydrophobicContact CD2-CD2 4.43Å; F769-F771 HydrophobicContact CD1-CD2 4.3Å; F769-F771 AromaticContact CD1-CE2 3.98Å; F769-F771 HydrophobicContact CD1-CE2 3.98Å; F769-F771 HydrophobicContact CD1-CZ 4.27Å; F769-F771 HydrophobicContact CE1-CE2 4.41Å; F769-F771 HydrophobicContact CE1-CZ 4.33Å; F769-L806 HydrophobicContact CB-CD1 4.46Å; F769-K807 PolarHBondContact N-O 2.99Å; F769-I808 HydrophobicContact CB-CD1 4.24Å; F769-I808 WeakPolarHBondContact O-CA 3.46Å; F769-C809 PolarHBondContact O-N 2.86Å
770	H	98.9	Very high	98.6	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	128.2	-176.1	169.4	74.7	0	0	0	112.3	L739 T740 T741 C809 W811	L739-H770 PolarHBondContact O-N 3.16Å; T740-H770 CarbonylContact C-O 3.54Å; T740-H770 WeakPolarHBondContact CA-O 3.45Å; T740-H770 HydrophobicContact CG2-CB 3.92Å; T741-H770 PolarHBondContact N-O 3.41Å; H770-C809 VanDerWaalsContact CA-O 3.29Å; H770-C809 WeakPolarHBondContact CA-O 3.31Å; H770-C809 HydrophobicContact CB-CB 4Å; H770-C809 PolarHBondContact ND1-SG 3.4Å; H770-W811 PolarHBondContact CE1-N 2.89Å
771	F	98.9	Very high	98.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	117.7	170.9	-66.9	-96.2	0	0	0	110.7	T741 V752 F769 W775 W786 F791 M797 L801 I808 C809 V810 W811	T741-F771 HydrophobicContact CG2-CD1 4.23Å; V752-F771 HydrophobicContact CG1-CZ 4.19Å; V752-F771 HydrophobicContact CG2-CE1 3.84Å; V752-F771 HydrophobicContact CG2-CZ 4.35Å; F769-F771 HydrophobicContact CD1-CD2 4.3Å; F769-F771 AromaticContact CD1-CE2 3.98Å; F769-F771 HydrophobicContact CD1-CE2 3.98Å; F769-F771 HydrophobicContact CD1-CZ 4.27Å; F769-F771 HydrophobicContact CE1-CE2 4.41Å; F769-F771 HydrophobicContact CE1-CZ 4.33Å; F771-W775 HydrophobicContact CB-CB 4.14Å; F771-W786 HydrophobicContact CD1-CZ3 4.46Å; F771-F791 HydrophobicContact CD1-CE1 4.24Å; F771-F791 HydrophobicContact CD1-CZ 4.22Å; F771-F791 AromaticContact CE1-CE1 3.88Å; F771-F791 HydrophobicContact CE1-CE1 3.88Å; F771-F791 HydrophobicContact CE1-CZ 4.3Å; F771-M797 HydrophobicContact CD1-CE 4.38Å; F771-M797 HydrophobicContact CE1-CE 3.46Å; F771-M797 VanDerWaalsContact CE1-CE 3.46Å; F771-M797 HydrophobicContact CE1-SD 3.86Å; F771-M797 HydrophobicContact CE2-CE 4.31Å; F771-M797 HydrophobicContact CZ-CE 3.41Å; F771-M797 VanDerWaalsContact CZ-CE 3.41Å; F771-M797 HydrophobicContact CZ-SD 3.84Å; F771-L801 HydrophobicContact CE2-CD1 4.04Å; F771-L801 HydrophobicContact CZ-CD1 3.77Å; F771-I808 HydrophobicContact CD2-CG2 4.06Å; F771-I808 HydrophobicContact CE2-CG2 3.97Å; F771-C809 PolarHBondContact N-O 3.49Å; F771-V810 HydrophobicContact CB-CG1 4.32Å; F771-V810 HydrophobicContact CD2-CG1 4.47Å; F771-W811 WeakPolarHBondContact O-CB 3.5Å; F771-W811 PolarHBondContact O-N 2.83Å
772	D	98.4	Very high	98.7	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	13%	0.125	C	C	.	.			trans	-84.5	179.6	177.4	-152.8	-7.2	0	0	0	112.4	T741 S742 F743 Y747 F774 W775 H1006	T741-D772 WeakPolarHBondContact OG1-CB 3.44Å; T741-D772 PolarHBondContact OG1-N 3.47Å; S742-D772 VanDerWaalsContact O-CB 3.28Å; S742-D772 WeakPolarHBondContact O-CB 3.46Å; F743-D772 WeakPolarHBondContact CA-OD2 3.42Å; F743-D772 WeakPolarHBondContact CB-OD2 3.05Å; Y747-D772 PolarHBondContact OH-O 3.29Å; Y747-D772 VanDerWaalsContact OH-O 3.14Å; D772-F774 VanDerWaalsContact C-N 3.31Å; D772-F774 PolarHBondContact O-N 3.35Å; D772-W775 PolarHBondContact O-N 3.13Å; D772-H1006 IonicContact OD2-CE1 3.81Å; D772-H1006 PolarHBondContact OD2-CE1 3.08Å; D772-H1006 IonicContact OD2-NE2 2.61Å
773	C	98.4	Very high	98.7	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.007	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-33.6	-45.9	-167.8	-60.2	0	0	0	0	117.6	F743 W775 M776 W781 W811	F743-C773 HydrophobicContact CD2-CB 4.19Å; F743-C773 HydrophobicContact CE2-CB 3.89Å; F743-C773 VanDerWaalsContact CE2-SG 3.55Å; C773-W775 PolarHBondContact O-N 3.2Å; C773-W775 VanDerWaalsContact O-N 3.13Å; C773-M776 PolarHBondContact O-N 3.2Å; C773-M776 VanDerWaalsContact O-N 3.09Å; C773-W781 HydrophobicContact CB-CD2 3.92Å; C773-W781 HydrophobicContact CB-CE3 3.87Å; C773-W781 HydrophobicContact CB-CH2 3.59Å; C773-W781 HydrophobicContact CB-CZ2 3.61Å; C773-W781 HydrophobicContact CB-CZ3 3.72Å; C773-W781 PolarHBondContact O-NE1 3.22Å; C773-W781 VanDerWaalsContact O-NE1 3.11Å; C773-W811 HydrophobicContact CB-CD2 4.47Å; C773-W811 PolarHBondContact SG-NE1 3Å
774	F	98.6	Very high	98.7	Very high	71 Å²	71	17.5 Å²	17.5	31%	0.311	9%	0.085	S	C	.	.	G	3₁₀ helix	trans	-74.9	7.5	-176.1	-65.5	-97.7	0	0	0	114.5	F743 T744 Y747 D772 M776 A778 W781	F743-F774 HydrophobicContact CE2-CE2 4.43Å; F743-F774 WeakPolarHBondContact O-CD2 3.34Å; T744-F774 HydrophobicContact CG2-CE2 4.29Å; Y747-F774 HydrophobicContact CE1-CB 4.13Å; Y747-F774 HydrophobicContact CE1-CD2 4.43Å; Y747-F774 HydrophobicContact CE2-CB 3.91Å; Y747-F774 VanDerWaalsContact CZ-CB 3.49Å; Y747-F774 WeakPolarHBondContact OH-CA 3.39Å; Y747-F774 VanDerWaalsContact OH-CB 3.25Å; Y747-F774 WeakPolarHBondContact OH-CB 3.48Å; Y747-F774 PolarHBondContact OH-N 3.37Å; D772-F774 VanDerWaalsContact C-N 3.31Å; D772-F774 PolarHBondContact O-N 3.35Å; F774-M776 CarbonylContact C-O 3.6Å; F774-M776 VanDerWaalsContact CA-O 3.32Å; F774-M776 WeakPolarHBondContact CA-O 3.47Å; F774-M776 PolarHBondContact O-N 2.94Å; F774-A778 HydrophobicContact CD1-CB 4.49Å; F774-A778 HydrophobicContact CE1-CB 4.03Å; F774-W781 HydrophobicContact CD1-CH2 4.45Å; F774-W781 AromaticContact CD1-CZ2 3.72Å; F774-W781 HydrophobicContact CD1-CZ2 3.72Å; F774-W781 AromaticContact CD2-CH2 3.84Å; F774-W781 HydrophobicContact CD2-CH2 3.84Å; F774-W781 AromaticContact CD2-CZ2 3.64Å; F774-W781 HydrophobicContact CD2-CZ2 3.64Å; F774-W781 HydrophobicContact CE1-CH2 4.1Å; F774-W781 AromaticContact CE1-CZ2 3.72Å; F774-W781 HydrophobicContact CE1-CZ2 3.72Å; F774-W781 AromaticContact CE2-CH2 3.44Å; F774-W781 HydrophobicContact CE2-CH2 3.44Å; F774-W781 VanDerWaalsContact CE2-CH2 3.44Å; F774-W781 AromaticContact CE2-CZ2 3.65Å; F774-W781 HydrophobicContact CE2-CZ2 3.65Å; F774-W781 HydrophobicContact CG-CH2 4.33Å; F774-W781 AromaticContact CG-CZ2 3.68Å; F774-W781 HydrophobicContact CG-CZ2 3.68Å; F774-W781 AromaticContact CZ-CH2 3.58Å; F774-W781 HydrophobicContact CZ-CH2 3.58Å; F774-W781 AromaticContact CZ-CZ2 3.68Å; F774-W781 HydrophobicContact CZ-CZ2 3.68Å
775	W	98.8	Very high	98.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-59.9	-26.6	157.7	81.3	-100.6	0	0	0	111.3	F771 D772 C773 F784 W786 D787 F791 W811 L871	F771-W775 HydrophobicContact CB-CB 4.14Å; D772-W775 PolarHBondContact O-N 3.13Å; C773-W775 PolarHBondContact O-N 3.2Å; C773-W775 VanDerWaalsContact O-N 3.13Å; W775-F784 HydrophobicContact CH2-CB 4.4Å; W775-W786 HydrophobicContact CB-CE3 4.17Å; W775-W786 HydrophobicContact CB-CZ3 3.96Å; W775-W786 HydrophobicContact CE3-CB 4.46Å; W775-W786 AromaticContact CE3-CD2 3.47Å; W775-W786 HydrophobicContact CE3-CD2 3.47Å; W775-W786 VanDerWaalsContact CE3-CD2 3.47Å; W775-W786 AromaticContact CE3-CE2 3.7Å; W775-W786 AromaticContact CE3-CE3 3.75Å; W775-W786 HydrophobicContact CE3-CE3 3.75Å; W775-W786 AromaticContact CE3-CG 3.83Å; W775-W786 HydrophobicContact CE3-CG 3.83Å; W775-W786 HydrophobicContact CE3-CH2 4.4Å; W775-W786 HydrophobicContact CE3-CZ2 4.16Å; W775-W786 HydrophobicContact CE3-CZ3 4.21Å; W775-W786 AromaticContact CZ3-CD1 3.75Å; W775-W786 AromaticContact CZ3-CD2 3.84Å; W775-W786 HydrophobicContact CZ3-CD2 3.84Å; W775-W786 AromaticContact CZ3-CE2 3.78Å; W775-W786 AromaticContact CZ3-CG 3.83Å; W775-W786 HydrophobicContact CZ3-CG 3.83Å; W775-W786 HydrophobicContact CZ3-CZ2 4.43Å; W775-W786 AromaticContact CZ3-NE1 3.71Å; W775-W786 CarbonylContact O-C 3.45Å; W775-W786 WeakPolarHBondContact O-CA 3.32Å; W775-D787 PolarHBondContact O-N 3.05Å; W775-F791 HydrophobicContact CB-CE2 4.28Å; W775-W811 PolarHBondContact NE1-O 3.44Å; W775-L871 HydrophobicContact CH2-CD1 3.96Å; W775-L871 HydrophobicContact CH2-CD2 3.91Å; W775-L871 HydrophobicContact CZ2-CD1 4.28Å; W775-L871 HydrophobicContact CZ3-CD2 4.15Å
776	M	98.9	Very high	98.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-100.7	156.2	166.3	-69.7	166.7	-68.4	0	0	111.8	C773 F774 W781 C782 F784 E785 W811	C773-M776 PolarHBondContact O-N 3.2Å; C773-M776 VanDerWaalsContact O-N 3.09Å; F774-M776 CarbonylContact C-O 3.6Å; F774-M776 VanDerWaalsContact CA-O 3.32Å; F774-M776 WeakPolarHBondContact CA-O 3.47Å; F774-M776 PolarHBondContact O-N 2.94Å; M776-W781 HydrophobicContact CE-CG 4.49Å; M776-W781 PolarHBondContact O-NE1 3.12Å; M776-C782 HydrophobicContact CE-CB 4.31Å; M776-C782 HydrophobicContact SD-CB 4.3Å; M776-F784 PolarHBondContact SD-N 3.42Å; M776-F784 VanDerWaalsContact SD-N 3.45Å; M776-E785 WeakPolarHBondContact CA-O 3.35Å; M776-E785 WeakPolarHBondContact CG-O 3.46Å; M776-W811 HydrophobicContact CE-CE3 3.51Å; M776-W811 HydrophobicContact CE-CZ3 3.53Å
777	K	98.5	Very high	98.6	Very high	53 Å²	53	22.4 Å²	22.4	23%	0.23	11%	0.107	C	C	.	.	P	Polyproline II helix	trans	-61.9	141.8	178.4	-55.6	-163.2	69.3	58.8	0	112.5	F779 Q780 W781 D787	K777-F779 PolarHBondContact O-N 2.92Å; K777-Q780 HydrophobicContact CB-CG 4.18Å; K777-Q780 WeakPolarHBondContact O-CB 3.46Å; K777-Q780 PolarHBondContact O-N 3.44Å; K777-Q780 VanDerWaalsContact O-N 3.16Å; K777-W781 VanDerWaalsContact O-CD1 3.31Å; K777-W781 PolarHBondContact O-NE1 3.1Å; K777-D787 HydrophobicContact CG-CB 3.92Å; K777-D787 IonicContact NZ-OD1 3.87Å; K777-D787 PolarHBondContact NZ-OD1 3.22Å; K777-D787 IonicContact NZ-OD2 2.98Å; K777-D787 PolarHBondContact NZ-OD2 2.99Å
778	A	98.1	Very high	98.6	Very high	35 Å²	35	25.7 Å²	25.7	29%	0.289	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	140.6	175.2	0	0	0	0	0	112.9	F774 Q780	F774-A778 HydrophobicContact CD1-CB 4.49Å; F774-A778 HydrophobicContact CE1-CB 4.03Å; A778-Q780 PolarHBondContact O-N 3.48Å
779	F	98.4	Very high	98.5	Very high	113 Å²	113	32.9 Å²	32.9	50%	0.496	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	5.6	-178	-46.3	-54.7	0	0	0	115.7	K777 K819 P848	K777-F779 PolarHBondContact O-N 2.92Å; F779-K819 HydrophobicContact CB-CB 4.09Å; F779-K819 HydrophobicContact CB-CD 3.78Å; F779-K819 HydrophobicContact CD2-CD 4.31Å; F779-K819 WeakPolarHBondContact O-CB 3.42Å; F779-P848 HydrophobicContact CB-CG 4.18Å; F779-P848 HydrophobicContact CD1-CG 3.73Å; F779-P848 HydrophobicContact CE1-CG 4.37Å; F779-P848 HydrophobicContact CG-CG 4.07Å
780	Q	98.8	Very high	98.5	Very high	13 Å²	13	34.9 Å²	34.9	6%	0.061	18%	0.179	C	C	.	.			trans	-109.6	2.4	179.2	-57.5	-174.2	-161.1	0	0	113.6	K777 A778 D783 K819	K777-Q780 HydrophobicContact CB-CG 4.18Å; K777-Q780 WeakPolarHBondContact O-CB 3.46Å; K777-Q780 PolarHBondContact O-N 3.44Å; K777-Q780 VanDerWaalsContact O-N 3.16Å; A778-Q780 PolarHBondContact O-N 3.48Å; Q780-D783 WeakPolarHBondContact CB-OD2 3.49Å; Q780-D783 PolarHBondContact NE2-OD2 2.67Å; Q780-D783 WeakPolarHBondContact O-CB 3.27Å; Q780-D783 PolarHBondContact O-N 3.29Å; Q780-K819 HydrophobicContact CG-CB 4.3Å; Q780-K819 HydrophobicContact CG-CD 4.36Å; Q780-K819 HydrophobicContact CG-CG 4.31Å
781	W	98.7	Very high	98.4	Very high	12 Å²	12	35.1 Å²	35.1	5%	0.045	18%	0.18	C	C	.	.			trans	-71.5	136.6	-171.3	-52.6	-25	0	0	0	111.8	F743 C773 F774 M776 K777 W811 I816 G817 W846 Q847	F743-W781 HydrophobicContact CE2-CH2 4Å; F743-W781 AromaticContact CE2-CZ3 3.99Å; F743-W781 HydrophobicContact CE2-CZ3 3.99Å; F743-W781 HydrophobicContact CZ-CZ3 4.3Å; C773-W781 HydrophobicContact CB-CD2 3.92Å; C773-W781 HydrophobicContact CB-CE3 3.87Å; C773-W781 HydrophobicContact CB-CH2 3.59Å; C773-W781 HydrophobicContact CB-CZ2 3.61Å; C773-W781 HydrophobicContact CB-CZ3 3.72Å; C773-W781 PolarHBondContact O-NE1 3.22Å; C773-W781 VanDerWaalsContact O-NE1 3.11Å; F774-W781 HydrophobicContact CD1-CH2 4.45Å; F774-W781 AromaticContact CD1-CZ2 3.72Å; F774-W781 HydrophobicContact CD1-CZ2 3.72Å; F774-W781 AromaticContact CD2-CH2 3.84Å; F774-W781 HydrophobicContact CD2-CH2 3.84Å; F774-W781 AromaticContact CD2-CZ2 3.64Å; F774-W781 HydrophobicContact CD2-CZ2 3.64Å; F774-W781 HydrophobicContact CE1-CH2 4.1Å; F774-W781 AromaticContact CE1-CZ2 3.72Å; F774-W781 HydrophobicContact CE1-CZ2 3.72Å; F774-W781 AromaticContact CE2-CH2 3.44Å; F774-W781 HydrophobicContact CE2-CH2 3.44Å; F774-W781 VanDerWaalsContact CE2-CH2 3.44Å; F774-W781 AromaticContact CE2-CZ2 3.65Å; F774-W781 HydrophobicContact CE2-CZ2 3.65Å; F774-W781 HydrophobicContact CG-CH2 4.33Å; F774-W781 AromaticContact CG-CZ2 3.68Å; F774-W781 HydrophobicContact CG-CZ2 3.68Å; F774-W781 AromaticContact CZ-CH2 3.58Å; F774-W781 HydrophobicContact CZ-CH2 3.58Å; F774-W781 AromaticContact CZ-CZ2 3.68Å; F774-W781 HydrophobicContact CZ-CZ2 3.68Å; M776-W781 HydrophobicContact CE-CG 4.49Å; M776-W781 PolarHBondContact O-NE1 3.12Å; K777-W781 VanDerWaalsContact O-CD1 3.31Å; K777-W781 PolarHBondContact O-NE1 3.1Å; W781-W811 HydrophobicContact CB-CH2 4.1Å; W781-W811 HydrophobicContact CB-CZ3 3.99Å; W781-W811 HydrophobicContact CG-CZ3 4.48Å; W781-I816 CarbonylContact O-C 3.52Å; W781-I816 VanDerWaalsContact O-CA 3.29Å; W781-I816 WeakPolarHBondContact O-CA 3.49Å; W781-G817 PolarHBondContact O-N 3.3Å; W781-W846 AromaticContact CE3-CE2 3.91Å; W781-W846 HydrophobicContact CE3-CH2 4.09Å; W781-W846 AromaticContact CE3-CZ2 3.48Å; W781-W846 HydrophobicContact CE3-CZ2 3.48Å; W781-W846 VanDerWaalsContact CE3-CZ2 3.48Å; W781-W846 AromaticContact CZ3-CH2 3.84Å; W781-W846 HydrophobicContact CZ3-CH2 3.84Å; W781-W846 AromaticContact CZ3-CZ2 3.73Å; W781-W846 HydrophobicContact CZ3-CZ2 3.73Å; W781-Q847 HydrophobicContact CB-CG 4.35Å
782	C	98.6	Very high	98.4	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.212	C	C	.	.	S	Bend	cis	-105.1	104	-7.7	-174.9	0	0	0	0	109.5	M776 W811 N813 Y815 Y853	M776-C782 HydrophobicContact CE-CB 4.31Å; M776-C782 HydrophobicContact SD-CB 4.3Å; C782-W811 HydrophobicContact CB-CZ3 3.95Å; C782-N813 WeakPolarHBondContact CB-OD1 3.34Å; C782-Y815 PolarHBondContact N-O 3.31Å; C782-Y853 PolarHBondContact O-OH 3.26Å
783	D	98.7	Very high	98.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.229	C	C	.	.	S	Bend	trans	-106	-3.2	179.4	68.8	-9.1	0	0	0	114.3	Q780 E785 I816 S820 V822	Q780-D783 WeakPolarHBondContact CB-OD2 3.49Å; Q780-D783 PolarHBondContact NE2-OD2 2.67Å; Q780-D783 WeakPolarHBondContact O-CB 3.27Å; Q780-D783 PolarHBondContact O-N 3.29Å; D783-E785 PolarHBondContact O-N 3.39Å; D783-E785 PolarHBondContact OD1-N 3.39Å; D783-I816 HydrophobicContact CB-CD1 4.13Å; D783-S820 WeakPolarHBondContact CB-OG 3.19Å; D783-S820 VanDerWaalsContact CG-OG 3.31Å; D783-S820 WeakPolarHBondContact OD2-CB 3.47Å; D783-S820 PolarHBondContact OD2-OG 3.14Å; D783-V822 HydrophobicContact CB-CB 4.26Å; D783-V822 HydrophobicContact CB-CG2 4.21Å
784	F	98.8	Very high	98.4	Very high	10 Å²	10	44.4 Å²	44.4	4%	0.044	24%	0.237	C	C	.	.			trans	70	10.3	177.5	-50.7	-84.4	0	0	0	115.9	W775 M776 I812 W863 Y864 K867 L868 L871	W775-F784 HydrophobicContact CH2-CB 4.4Å; M776-F784 PolarHBondContact SD-N 3.42Å; M776-F784 VanDerWaalsContact SD-N 3.45Å; F784-I812 HydrophobicContact CD1-CG2 4.44Å; F784-I812 HydrophobicContact CE1-CG2 3.89Å; F784-W863 HydrophobicContact CD2-CH2 4.14Å; F784-W863 HydrophobicContact CD2-CZ3 4.04Å; F784-W863 HydrophobicContact CE2-CH2 4.41Å; F784-W863 AromaticContact CE2-CZ3 3.87Å; F784-W863 HydrophobicContact CE2-CZ3 3.87Å; F784-Y864 AromaticContact CE2-CD2 3.94Å; F784-Y864 HydrophobicContact CE2-CD2 3.94Å; F784-Y864 AromaticContact CE2-CE2 3.91Å; F784-Y864 HydrophobicContact CE2-CE2 3.91Å; F784-Y864 HydrophobicContact CZ-CD1 4.23Å; F784-Y864 AromaticContact CZ-CD2 3.75Å; F784-Y864 HydrophobicContact CZ-CD2 3.75Å; F784-Y864 AromaticContact CZ-CE1 3.93Å; F784-Y864 HydrophobicContact CZ-CE1 3.93Å; F784-Y864 AromaticContact CZ-CE2 3.42Å; F784-Y864 HydrophobicContact CZ-CE2 3.42Å; F784-Y864 VanDerWaalsContact CZ-CE2 3.42Å; F784-Y864 HydrophobicContact CZ-CG 4.15Å; F784-Y864 AromaticContact CZ-CZ 3.51Å; F784-K867 HydrophobicContact CB-CB 4.06Å; F784-K867 HydrophobicContact CB-CD 4.12Å; F784-K867 HydrophobicContact CB-CG 4.29Å; F784-K867 HydrophobicContact CD1-CB 4.01Å; F784-K867 HydrophobicContact CD2-CB 3.6Å; F784-K867 HydrophobicContact CD2-CD 4.32Å; F784-K867 HydrophobicContact CD2-CG 3.67Å; F784-K867 HydrophobicContact CE1-CB 4.33Å; F784-K867 HydrophobicContact CE2-CB 3.98Å; F784-K867 HydrophobicContact CE2-CG 4.21Å; F784-K867 HydrophobicContact CG-CB 3.61Å; F784-K867 HydrophobicContact CG-CD 4.42Å; F784-K867 HydrophobicContact CG-CG 4.05Å; F784-K867 HydrophobicContact CZ-CB 4.29Å; F784-L868 HydrophobicContact CE1-CD2 3.78Å; F784-L868 HydrophobicContact CE1-CG 4.49Å; F784-L868 HydrophobicContact CZ-CD2 4.49Å; F784-L871 HydrophobicContact CD1-CD1 3.9Å
785	E	98.5	Very high	98.4	Very high	104 Å²	104	45.2 Å²	45.2	49%	0.486	24%	0.241	S	C	.	.			trans	-94	119.3	178.6	-65.9	-64.6	131.4	0	0	110.6	M776 D783 D787	M776-E785 WeakPolarHBondContact CA-O 3.35Å; M776-E785 WeakPolarHBondContact CG-O 3.46Å; D783-E785 PolarHBondContact O-N 3.39Å; D783-E785 PolarHBondContact OD1-N 3.39Å; E785-D787 PolarHBondContact O-N 2.69Å
786	W	98.7	Very high	98.4	Very high	23 Å²	23	45.3 Å²	45.3	9%	0.087	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-58.2	137.4	173.5	-72.1	88.2	0	0	0	110.8	F771 W775 P788 F791 P794 M797 I798 V810 L871	F771-W786 HydrophobicContact CD1-CZ3 4.46Å; W775-W786 HydrophobicContact CB-CE3 4.17Å; W775-W786 HydrophobicContact CB-CZ3 3.96Å; W775-W786 HydrophobicContact CE3-CB 4.46Å; W775-W786 AromaticContact CE3-CD2 3.47Å; W775-W786 HydrophobicContact CE3-CD2 3.47Å; W775-W786 VanDerWaalsContact CE3-CD2 3.47Å; W775-W786 AromaticContact CE3-CE2 3.7Å; W775-W786 AromaticContact CE3-CE3 3.75Å; W775-W786 HydrophobicContact CE3-CE3 3.75Å; W775-W786 AromaticContact CE3-CG 3.83Å; W775-W786 HydrophobicContact CE3-CG 3.83Å; W775-W786 HydrophobicContact CE3-CH2 4.4Å; W775-W786 HydrophobicContact CE3-CZ2 4.16Å; W775-W786 HydrophobicContact CE3-CZ3 4.21Å; W775-W786 AromaticContact CZ3-CD1 3.75Å; W775-W786 AromaticContact CZ3-CD2 3.84Å; W775-W786 HydrophobicContact CZ3-CD2 3.84Å; W775-W786 AromaticContact CZ3-CE2 3.78Å; W775-W786 AromaticContact CZ3-CG 3.83Å; W775-W786 HydrophobicContact CZ3-CG 3.83Å; W775-W786 HydrophobicContact CZ3-CZ2 4.43Å; W775-W786 AromaticContact CZ3-NE1 3.71Å; W775-W786 CarbonylContact O-C 3.45Å; W775-W786 WeakPolarHBondContact O-CA 3.32Å; W786-P788 WeakPolarHBondContact O-CD 3.26Å; W786-P788 VanDerWaalsContact O-N 3.09Å; W786-F791 HydrophobicContact CE3-CB 3.73Å; W786-F791 HydrophobicContact CE3-CD1 4.43Å; W786-F791 AromaticContact CE3-CD2 3.88Å; W786-F791 HydrophobicContact CE3-CD2 3.88Å; W786-F791 AromaticContact CE3-CG 3.73Å; W786-F791 HydrophobicContact CE3-CG 3.73Å; W786-F791 HydrophobicContact CZ3-CB 4.38Å; W786-F791 HydrophobicContact CZ3-CD1 4.29Å; W786-F791 HydrophobicContact CZ3-CD2 4.24Å; W786-F791 HydrophobicContact CZ3-CG 4.02Å; W786-P794 HydrophobicContact CB-CB 4.38Å; W786-P794 HydrophobicContact CB-CG 3.62Å; W786-P794 HydrophobicContact CD2-CB 3.43Å; W786-P794 VanDerWaalsContact CD2-CB 3.43Å; W786-P794 HydrophobicContact CD2-CG 3.68Å; W786-P794 HydrophobicContact CE3-CB 3.88Å; W786-P794 HydrophobicContact CE3-CG 4.16Å; W786-P794 HydrophobicContact CG-CB 3.65Å; W786-P794 HydrophobicContact CG-CG 3.41Å; W786-P794 VanDerWaalsContact CG-CG 3.41Å; W786-P794 HydrophobicContact CH2-CB 4.49Å; W786-P794 HydrophobicContact CZ2-CB 4.12Å; W786-P794 HydrophobicContact CZ3-CB 4.38Å; W786-M797 HydrophobicContact CH2-CE 4.04Å; W786-M797 HydrophobicContact CZ3-CE 3.73Å; W786-I798 HydrophobicContact CH2-CD1 4.02Å; W786-I798 HydrophobicContact CZ2-CD1 3.74Å; W786-V810 HydrophobicContact CH2-CG1 4.36Å; W786-V810 HydrophobicContact CZ2-CG1 4.42Å; W786-L871 HydrophobicContact CZ2-CD2 4.46Å
787	D	98.6	Very high	98.4	Very high	19 Å²	19	45.4 Å²	45.4	10%	0.102	24%	0.243	C	C	.	.			trans	-65.6	110.9	173.7	-169.6	-25.6	0	0	0	109.3	W775 K777 E785 L789 T790 F791	W775-D787 PolarHBondContact O-N 3.05Å; K777-D787 HydrophobicContact CG-CB 3.92Å; K777-D787 IonicContact NZ-OD1 3.87Å; K777-D787 PolarHBondContact NZ-OD1 3.22Å; K777-D787 IonicContact NZ-OD2 2.98Å; K777-D787 PolarHBondContact NZ-OD2 2.99Å; E785-D787 PolarHBondContact O-N 2.69Å; D787-L789 PolarHBondContact O-N 2.88Å; D787-L789 PolarHBondContact OD1-N 3.01Å; D787-T790 PolarHBondContact O-N 2.73Å; D787-T790 VanDerWaalsContact O-N 3.16Å; D787-F791 PolarHBondContact O-N 3.22Å
788	P	97.8	Very high	98.4	Very high	84 Å²	84	42.9 Å²	42.9	55%	0.545	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-17.3	-172.1	29.8	-37.3	0	0	0	113.3	W786	W786-P788 WeakPolarHBondContact O-CD 3.26Å; W786-P788 VanDerWaalsContact O-N 3.09Å
789	L	97.3	Very high	98.4	Very high	150 Å²	150	48.2 Å²	48.2	79%	0.785	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-38.6	175.4	-64.6	178.8	0	0	0	111.3	D787	D787-L789 PolarHBondContact O-N 2.88Å; D787-L789 PolarHBondContact OD1-N 3.01Å
790	T	97.8	Very high	98.4	Very high	43 Å²	43	47.8 Å²	47.8	26%	0.264	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-36.7	-174.3	-50.4	0	0	0	0	111.6	Y747 D748 D787	Y747-T790 WeakPolarHBondContact O-CG2 3.2Å; D748-T790 HydrophobicContact CB-CG2 3.95Å; D787-T790 PolarHBondContact O-N 2.73Å; D787-T790 VanDerWaalsContact O-N 3.16Å
791	F	98.4	Very high	98.4	Very high	5 Å²	5	47.1 Å²	47.1	2%	0.022	24%	0.237	C	C	.	.			trans	-128.1	74.6	-176.9	-58.4	-70.1	0	0	0	110.3	Y747 F771 W775 W786 D787 D793 P794 M797	Y747-F791 HydrophobicContact CD2-CE2 4.42Å; Y747-F791 AromaticContact CD2-CZ 3.94Å; Y747-F791 HydrophobicContact CD2-CZ 3.94Å; Y747-F791 WeakPolarHBondContact O-CZ 3.2Å; F771-F791 HydrophobicContact CD1-CE1 4.24Å; F771-F791 HydrophobicContact CD1-CZ 4.22Å; F771-F791 AromaticContact CE1-CE1 3.88Å; F771-F791 HydrophobicContact CE1-CE1 3.88Å; F771-F791 HydrophobicContact CE1-CZ 4.3Å; W775-F791 HydrophobicContact CB-CE2 4.28Å; W786-F791 HydrophobicContact CE3-CB 3.73Å; W786-F791 HydrophobicContact CE3-CD1 4.43Å; W786-F791 AromaticContact CE3-CD2 3.88Å; W786-F791 HydrophobicContact CE3-CD2 3.88Å; W786-F791 AromaticContact CE3-CG 3.73Å; W786-F791 HydrophobicContact CE3-CG 3.73Å; W786-F791 HydrophobicContact CZ3-CB 4.38Å; W786-F791 HydrophobicContact CZ3-CD1 4.29Å; W786-F791 HydrophobicContact CZ3-CD2 4.24Å; W786-F791 HydrophobicContact CZ3-CG 4.02Å; D787-F791 PolarHBondContact O-N 3.22Å; F791-D793 VanDerWaalsContact C-N 3.26Å; F791-D793 PolarHBondContact O-N 3.46Å; F791-P794 HydrophobicContact CB-CG 4.27Å; F791-P794 WeakPolarHBondContact O-CD 3.24Å; F791-P794 WeakPolarHBondContact O-CG 3.5Å; F791-M797 HydrophobicContact CD1-CE 3.55Å; F791-M797 HydrophobicContact CD1-SD 3.65Å; F791-M797 HydrophobicContact CE1-CE 3.95Å; F791-M797 HydrophobicContact CE1-SD 3.86Å; F791-M797 HydrophobicContact CG-CE 4.41Å
792	P	98.2	Very high	98.4	Very high	102 Å²	102	49.8 Å²	49.8	66%	0.662	25%	0.249	S	C	*	.	S	Bend	trans	-70.7	-20.1	-177.6	28.6	-35.8	0	0	0	113.7
793	D	98.4	Very high	98.3	Very high	70 Å²	70	54.1 Å²	54.1	37%	0.374	29%	0.285	S	S	.	.	S	Bend	trans	-136.3	71.7	178	174.1	32.7	0	0	0	110.8	F791 E795 G796 M797 R800	F791-D793 VanDerWaalsContact C-N 3.26Å; F791-D793 PolarHBondContact O-N 3.46Å; D793-E795 PolarHBondContact O-N 2.92Å; D793-G796 WeakPolarHBondContact OD1-CA 3.35Å; D793-G796 PolarHBondContact OD1-N 3.47Å; D793-G796 VanDerWaalsContact OD1-N 3.07Å; D793-G796 VanDerWaalsContact OD2-CA 3.32Å; D793-G796 WeakPolarHBondContact OD2-CA 3.31Å; D793-M797 VanDerWaalsContact O-CB 3.32Å; D793-M797 WeakPolarHBondContact O-CB 3.49Å; D793-M797 PolarHBondContact O-N 3.25Å; D793-R800 IonicContact OD2-CZ 3.41Å; D793-R800 IonicContact OD2-NH1 2.91Å; D793-R800 PolarHBondContact OD2-NH1 3.21Å; D793-R800 IonicContact OD2-NH2 2.93Å; D793-R800 PolarHBondContact OD2-NH2 3.09Å
794	P	98.3	Very high	98.3	Very high	25 Å²	25	59 Å²	59	16%	0.162	31%	0.306	C	S	.	.	H	α-helix	trans	-61.4	-46.2	-174	-22.8	33.2	0	0	0	113.7	W786 F791 M797 I798	W786-P794 HydrophobicContact CB-CB 4.38Å; W786-P794 HydrophobicContact CB-CG 3.62Å; W786-P794 HydrophobicContact CD2-CB 3.43Å; W786-P794 VanDerWaalsContact CD2-CB 3.43Å; W786-P794 HydrophobicContact CD2-CG 3.68Å; W786-P794 HydrophobicContact CE3-CB 3.88Å; W786-P794 HydrophobicContact CE3-CG 4.16Å; W786-P794 HydrophobicContact CG-CB 3.65Å; W786-P794 HydrophobicContact CG-CG 3.41Å; W786-P794 VanDerWaalsContact CG-CG 3.41Å; W786-P794 HydrophobicContact CH2-CB 4.49Å; W786-P794 HydrophobicContact CZ2-CB 4.12Å; W786-P794 HydrophobicContact CZ3-CB 4.38Å; F791-P794 HydrophobicContact CB-CG 4.27Å; F791-P794 WeakPolarHBondContact O-CD 3.24Å; F791-P794 WeakPolarHBondContact O-CG 3.5Å; P794-M797 PolarHBondContact O-N 3.33Å; P794-I798 VanDerWaalsContact O-CG1 3.32Å; P794-I798 WeakPolarHBondContact O-CG1 3.5Å; P794-I798 PolarHBondContact O-N 3.43Å
795	E	98.5	Very high	98.2	Very high	88 Å²	88	61.5 Å²	61.5	41%	0.411	33%	0.334	S	S	.	.	H	α-helix	trans	-67.6	-43.7	-177.8	-167	-168.2	146.4	0	0	111.2	D793 M797 I798 R799 M874	D793-E795 PolarHBondContact O-N 2.92Å; E795-M797 VanDerWaalsContact C-N 3.32Å; E795-M797 PolarHBondContact O-N 2.7Å; E795-I798 PolarHBondContact O-N 3.46Å; E795-R799 WeakPolarHBondContact O-CB 3.25Å; E795-R799 PolarHBondContact O-N 2.92Å; E795-R799 IonicContact OE1-CZ 3.86Å; E795-R799 IonicContact OE1-NH2 2.72Å; E795-R799 PolarHBondContact OE1-NH2 3.21Å; E795-M874 HydrophobicContact CB-CB 4.43Å; E795-M874 HydrophobicContact CB-CG 4.46Å; E795-M874 HydrophobicContact CG-CB 4.12Å; E795-M874 HydrophobicContact CG-CG 4.38Å
796	G	98.5	Very high	98.2	Very high	3 Å²	3	57 Å²	57	3%	0.031	31%	0.313	C	S	.	.	H	α-helix	trans	-63.2	-39.4	175.2	0	0	0	0	0	112	D793 R799 R800	D793-G796 WeakPolarHBondContact OD1-CA 3.35Å; D793-G796 PolarHBondContact OD1-N 3.47Å; D793-G796 VanDerWaalsContact OD1-N 3.07Å; D793-G796 VanDerWaalsContact OD2-CA 3.32Å; D793-G796 WeakPolarHBondContact OD2-CA 3.31Å; G796-R799 PolarHBondContact O-N 3.49Å; G796-R800 WeakPolarHBondContact O-CG 3.19Å; G796-R800 PolarHBondContact O-N 3.47Å; G796-R800 PolarHBondContact O-NE 3.28Å; G796-R800 PolarHBondContact O-NH1 3.01Å
797	M	98.6	Very high	98.2	Very high	1 Å²	1	58 Å²	58	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-59.6	-54.4	175.2	173.9	-175.9	66.4	0	0	110.5	E749 F771 W786 F791 D793 P794 E795 R799 R800 L801	E749-M797 HydrophobicContact CB-CG 4.21Å; E749-M797 HydrophobicContact CB-SD 3.76Å; E749-M797 HydrophobicContact CG-CB 4.34Å; E749-M797 HydrophobicContact CG-CG 3.77Å; E749-M797 HydrophobicContact CG-SD 3.99Å; E749-M797 WeakPolarHBondContact OE1-CA 3.43Å; F771-M797 HydrophobicContact CD1-CE 4.38Å; F771-M797 HydrophobicContact CE1-CE 3.46Å; F771-M797 VanDerWaalsContact CE1-CE 3.46Å; F771-M797 HydrophobicContact CE1-SD 3.86Å; F771-M797 HydrophobicContact CE2-CE 4.31Å; F771-M797 HydrophobicContact CZ-CE 3.41Å; F771-M797 VanDerWaalsContact CZ-CE 3.41Å; F771-M797 HydrophobicContact CZ-SD 3.84Å; W786-M797 HydrophobicContact CH2-CE 4.04Å; W786-M797 HydrophobicContact CZ3-CE 3.73Å; F791-M797 HydrophobicContact CD1-CE 3.55Å; F791-M797 HydrophobicContact CD1-SD 3.65Å; F791-M797 HydrophobicContact CE1-CE 3.95Å; F791-M797 HydrophobicContact CE1-SD 3.86Å; F791-M797 HydrophobicContact CG-CE 4.41Å; D793-M797 VanDerWaalsContact O-CB 3.32Å; D793-M797 WeakPolarHBondContact O-CB 3.49Å; D793-M797 PolarHBondContact O-N 3.25Å; P794-M797 PolarHBondContact O-N 3.33Å; E795-M797 VanDerWaalsContact C-N 3.32Å; E795-M797 PolarHBondContact O-N 2.7Å; M797-R799 VanDerWaalsContact C-N 3.26Å; M797-R799 PolarHBondContact O-N 2.83Å; M797-R800 WeakPolarHBondContact O-CB 3.07Å; M797-R800 PolarHBondContact O-N 3.03Å; M797-L801 HydrophobicContact CG-CD1 4.37Å; M797-L801 HydrophobicContact CG-CG 4.49Å; M797-L801 WeakPolarHBondContact O-CG 3.35Å; M797-L801 PolarHBondContact O-N 2.85Å
798	I	98	Very high	98.2	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-55.3	-44.5	178.9	-71.9	170.4	0	0	0	110.5	W786 P794 E795 R800 L801 K802 I808 V876	W786-I798 HydrophobicContact CH2-CD1 4.02Å; W786-I798 HydrophobicContact CZ2-CD1 3.74Å; P794-I798 VanDerWaalsContact O-CG1 3.32Å; P794-I798 WeakPolarHBondContact O-CG1 3.5Å; P794-I798 PolarHBondContact O-N 3.43Å; E795-I798 PolarHBondContact O-N 3.46Å; I798-R800 VanDerWaalsContact C-N 3.35Å; I798-R800 PolarHBondContact O-N 3.07Å; I798-L801 PolarHBondContact O-N 3.11Å; I798-K802 HydrophobicContact CG2-CD 3.96Å; I798-K802 HydrophobicContact CG2-CG 4.3Å; I798-K802 WeakPolarHBondContact O-CG 3.38Å; I798-K802 PolarHBondContact O-N 3.08Å; I798-I808 HydrophobicContact CG1-CG2 4.36Å; I798-I808 HydrophobicContact CG2-CG1 4.21Å; I798-V876 HydrophobicContact CD1-CG2 3.93Å
799	R	98.7	Very high	98.3	Very high	148 Å²	148	53.2 Å²	53.2	56%	0.558	29%	0.288	S	S	*	.	H	α-helix	trans	-60.7	-41.6	177.7	-160.7	-176.2	-53.4	141.1	2.7	112.4	E795 G796 M797 K802 A803	E795-R799 WeakPolarHBondContact O-CB 3.25Å; E795-R799 PolarHBondContact O-N 2.92Å; E795-R799 IonicContact OE1-CZ 3.86Å; E795-R799 IonicContact OE1-NH2 2.72Å; E795-R799 PolarHBondContact OE1-NH2 3.21Å; G796-R799 PolarHBondContact O-N 3.49Å; M797-R799 VanDerWaalsContact C-N 3.26Å; M797-R799 PolarHBondContact O-N 2.83Å; R799-K802 PolarHBondContact O-N 2.97Å; R799-A803 PolarHBondContact O-N 3.24Å
800	R	98.6	Very high	98.4	Very high	103 Å²	103	46 Å²	46	39%	0.389	25%	0.251	S	S	.	.	H	α-helix	trans	-63.8	-40.7	175.4	-73	178.1	-70.3	-90.5	11.1	111.8	E749 D793 G796 M797 I798 A803	E749-R800 VanDerWaalsContact CD-NH2 3.3Å; E749-R800 IonicContact OE1-CZ 3.21Å; E749-R800 IonicContact OE1-NE 2.72Å; E749-R800 PolarHBondContact OE1-NE 3.12Å; E749-R800 IonicContact OE1-NH2 2.91Å; E749-R800 PolarHBondContact OE1-NH2 2.76Å; E749-R800 IonicContact OE2-CZ 3.88Å; E749-R800 IonicContact OE2-NH2 2.89Å; E749-R800 PolarHBondContact OE2-NH2 3.23Å; D793-R800 IonicContact OD2-CZ 3.41Å; D793-R800 IonicContact OD2-NH1 2.91Å; D793-R800 PolarHBondContact OD2-NH1 3.21Å; D793-R800 IonicContact OD2-NH2 2.93Å; D793-R800 PolarHBondContact OD2-NH2 3.09Å; G796-R800 WeakPolarHBondContact O-CG 3.19Å; G796-R800 PolarHBondContact O-N 3.47Å; G796-R800 PolarHBondContact O-NE 3.28Å; G796-R800 PolarHBondContact O-NH1 3.01Å; M797-R800 WeakPolarHBondContact O-CB 3.07Å; M797-R800 PolarHBondContact O-N 3.03Å; I798-R800 VanDerWaalsContact C-N 3.35Å; I798-R800 PolarHBondContact O-N 3.07Å; R800-A803 PolarHBondContact O-N 2.75Å
801	L	98.4	Very high	98.4	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-68.4	-43.5	177	-60.4	-173.5	0	0	0	112.1	V752 I756 F771 M797 I798 A803 K804 I808	V752-L801 HydrophobicContact CG1-CD1 3.8Å; V752-L801 HydrophobicContact CG1-CD2 4.31Å; I756-L801 HydrophobicContact CD1-CD1 4.16Å; I756-L801 HydrophobicContact CD1-CD2 3.51Å; I756-L801 HydrophobicContact CD1-CG 4.35Å; F771-L801 HydrophobicContact CE2-CD1 4.04Å; F771-L801 HydrophobicContact CZ-CD1 3.77Å; M797-L801 HydrophobicContact CG-CD1 4.37Å; M797-L801 HydrophobicContact CG-CG 4.49Å; M797-L801 WeakPolarHBondContact O-CG 3.35Å; M797-L801 PolarHBondContact O-N 2.85Å; I798-L801 PolarHBondContact O-N 3.11Å; L801-A803 VanDerWaalsContact C-N 3.29Å; L801-A803 PolarHBondContact O-N 2.81Å; L801-K804 WeakPolarHBondContact O-CB 3.44Å; L801-K804 PolarHBondContact O-N 3.33Å; L801-I808 HydrophobicContact CB-CD1 3.84Å; L801-I808 HydrophobicContact CD1-CD1 3.97Å
802	K	98.5	Very high	98.4	Very high	68 Å²	68	43.8 Å²	43.8	30%	0.296	24%	0.237	S	C	.	.	H	α-helix	trans	-62.9	-33.4	176.1	-70.2	-180	86.2	85.1	0	112.9	I798 R799 K804 G805 I808 G875 D877	I798-K802 HydrophobicContact CG2-CD 3.96Å; I798-K802 HydrophobicContact CG2-CG 4.3Å; I798-K802 WeakPolarHBondContact O-CG 3.38Å; I798-K802 PolarHBondContact O-N 3.08Å; R799-K802 PolarHBondContact O-N 2.97Å; K802-K804 PolarHBondContact O-N 3.24Å; K802-K804 VanDerWaalsContact O-N 3.16Å; K802-G805 WeakPolarHBondContact O-CA 3.11Å; K802-G805 PolarHBondContact O-N 2.99Å; K802-I808 HydrophobicContact CG-CG1 4.08Å; K802-G875 WeakPolarHBondContact CD-O 3.12Å; K802-G875 PolarHBondContact NZ-O 3.2Å; K802-D877 IonicContact NZ-OD1 3.53Å; K802-D877 PolarHBondContact NZ-OD1 3.14Å; K802-D877 IonicContact NZ-OD2 2.7Å; K802-D877 PolarHBondContact NZ-OD2 2.99Å
803	A	98.3	Very high	98.5	Very high	91 Å²	91	38.9 Å²	38.9	75%	0.752	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-20.1	174.7	0	0	0	0	0	113	R799 R800 L801 G805	R799-A803 PolarHBondContact O-N 3.24Å; R800-A803 PolarHBondContact O-N 2.75Å; L801-A803 VanDerWaalsContact C-N 3.29Å; L801-A803 PolarHBondContact O-N 2.81Å; A803-G805 VanDerWaalsContact C-N 3.27Å
804	K	97.8	Very high	98.5	Very high	102 Å²	102	35.6 Å²	35.6	44%	0.443	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	3.2	171.3	-53	-171.8	-173.8	-144.7	0	113.4	I756 D757 L801 K802	I756-K804 HydrophobicContact CG2-CD 3.92Å; D757-K804 IonicContact OD1-NZ 2.58Å; D757-K804 PolarHBondContact OD1-NZ 3.08Å; D757-K804 IonicContact OD2-NZ 3.71Å; L801-K804 WeakPolarHBondContact O-CB 3.44Å; L801-K804 PolarHBondContact O-N 3.33Å; K802-K804 PolarHBondContact O-N 3.24Å; K802-K804 VanDerWaalsContact O-N 3.16Å
805	G	96.5	Very high	98.5	Very high	62 Å²	62	34.6 Å²	34.6	64%	0.639	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.6	6.9	-178.7	0	0	0	0	0	115	K802 A803	K802-G805 WeakPolarHBondContact O-CA 3.11Å; K802-G805 PolarHBondContact O-N 2.99Å; A803-G805 VanDerWaalsContact C-N 3.27Å
806	L	98.6	Very high	98.5	Very high	10 Å²	10	30.4 Å²	30.4	5%	0.052	16%	0.161	C	C	.	.			trans	-81.1	144.3	-179.4	-66.9	170.4	0	0	0	112.4	I756 L766 F769 I808	I756-L806 HydrophobicContact CD1-CD1 3.67Å; I756-L806 HydrophobicContact CG1-CD1 4.01Å; I756-L806 HydrophobicContact CG2-CD1 3.78Å; L766-L806 HydrophobicContact CB-CD2 4.27Å; L766-L806 HydrophobicContact CD2-CD2 4Å; L766-L806 HydrophobicContact CG-CD2 3.76Å; L766-L806 WeakPolarHBondContact O-CD2 3.43Å; F769-L806 HydrophobicContact CB-CD1 4.46Å; L806-I808 HydrophobicContact CB-CD1 4.42Å
807	K	98.9	Very high	98.5	Very high	45 Å²	45	30.2 Å²	30.2	20%	0.196	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	148.2	160.9	-65.5	-80	-175.3	163	0	109.7	W733 H767 V768 F769 D877 E926	W733-K807 HydrophobicContact CB-CG 4.48Å; W733-K807 HydrophobicContact CD2-CB 4.44Å; W733-K807 HydrophobicContact CD2-CD 4.01Å; W733-K807 HydrophobicContact CD2-CG 3.68Å; W733-K807 HydrophobicContact CE3-CB 3.95Å; W733-K807 HydrophobicContact CE3-CD 4.35Å; W733-K807 HydrophobicContact CE3-CG 3.69Å; W733-K807 HydrophobicContact CG-CD 4.36Å; W733-K807 HydrophobicContact CG-CG 4.04Å; W733-K807 HydrophobicContact CZ2-CD 4.23Å; W733-K807 HydrophobicContact CZ3-CB 4.01Å; W733-K807 HydrophobicContact CZ3-CG 4.16Å; H767-K807 PolarHBondContact O-N 3.49Å; V768-K807 VanDerWaalsContact CA-O 3.31Å; V768-K807 WeakPolarHBondContact CA-O 3.39Å; V768-K807 HydrophobicContact CG1-CB 4.27Å; V768-K807 WeakPolarHBondContact CG1-O 3.43Å; V768-K807 HydrophobicContact CG2-CB 4.14Å; F769-K807 PolarHBondContact N-O 2.99Å; K807-D877 VanDerWaalsContact CA-OD2 3.29Å; K807-D877 WeakPolarHBondContact CA-OD2 3.36Å; K807-D877 HydrophobicContact CB-CB 4.3Å; K807-D877 HydrophobicContact CD-CB 3.85Å; K807-D877 WeakPolarHBondContact CD-OD1 3.39Å; K807-D877 IonicContact NZ-OD1 3.03Å; K807-D877 PolarHBondContact NZ-OD1 3.03Å; K807-E926 IonicContact NZ-OE2 2.7Å; K807-E926 PolarHBondContact NZ-OE2 3.47Å
808	I	98.9	Very high	98.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	125.9	-173.9	-57.1	-57.9	0	0	0	110.8	F769 F771 I798 L801 K802 L806 D877 C878	F769-I808 HydrophobicContact CB-CD1 4.24Å; F769-I808 WeakPolarHBondContact O-CA 3.46Å; F771-I808 HydrophobicContact CD2-CG2 4.06Å; F771-I808 HydrophobicContact CE2-CG2 3.97Å; I798-I808 HydrophobicContact CG1-CG2 4.36Å; I798-I808 HydrophobicContact CG2-CG1 4.21Å; L801-I808 HydrophobicContact CB-CD1 3.84Å; L801-I808 HydrophobicContact CD1-CD1 3.97Å; K802-I808 HydrophobicContact CG-CG1 4.08Å; L806-I808 HydrophobicContact CB-CD1 4.42Å; I808-D877 PolarHBondContact N-OD2 3.31Å; I808-D877 PolarHBondContact O-N 3.34Å; I808-C878 PolarHBondContact O-N 2.98Å
809	C	98.9	Very high	98.6	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.007	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	144	172.5	-174.2	0	0	0	0	110.3	W738 V768 F769 H770 F771 C878 K880	W738-C809 HydrophobicContact CE3-CB 4.45Å; W738-C809 HydrophobicContact CZ3-CB 3.86Å; V768-C809 HydrophobicContact CG1-CB 4.24Å; F769-C809 PolarHBondContact O-N 2.86Å; H770-C809 VanDerWaalsContact CA-O 3.29Å; H770-C809 WeakPolarHBondContact CA-O 3.31Å; H770-C809 HydrophobicContact CB-CB 4Å; H770-C809 PolarHBondContact ND1-SG 3.4Å; F771-C809 PolarHBondContact N-O 3.49Å; C809-C878 WeakPolarHBondContact CA-O 3.42Å; C809-C878 VanDerWaalsContact CB-SG 3.51Å; C809-K880 PolarHBondContact SG-N 3.27Å; C809-K880 VanDerWaalsContact SG-N 3.44Å
810	V	98.9	Very high	98.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	149	169.9	-56.8	0	0	0	0	111.2	F771 W786 L871 V876 C878 F879 K880	F771-V810 HydrophobicContact CB-CG1 4.32Å; F771-V810 HydrophobicContact CD2-CG1 4.47Å; W786-V810 HydrophobicContact CH2-CG1 4.36Å; W786-V810 HydrophobicContact CZ2-CG1 4.42Å; V810-L871 HydrophobicContact CG2-CD1 4.21Å; V810-V876 HydrophobicContact CG1-CG1 4.23Å; V810-V876 HydrophobicContact CG1-CG2 3.84Å; V810-V876 HydrophobicContact CG2-CG1 3.9Å; V810-V876 HydrophobicContact CG2-CG2 4.39Å; V810-C878 PolarHBondContact N-O 2.88Å; V810-F879 HydrophobicContact CG2-CD1 3.64Å; V810-F879 HydrophobicContact CG2-CE1 3.68Å; V810-K880 PolarHBondContact O-N 2.64Å
811	W	98.9	Very high	98.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	134.1	174.5	-178.7	105.9	0	0	0	111.2	H770 F771 C773 W775 M776 W781 C782 N813 W846 D882 F883	H770-W811 PolarHBondContact CE1-N 2.89Å; F771-W811 WeakPolarHBondContact O-CB 3.5Å; F771-W811 PolarHBondContact O-N 2.83Å; C773-W811 HydrophobicContact CB-CD2 4.47Å; C773-W811 PolarHBondContact SG-NE1 3Å; W775-W811 PolarHBondContact NE1-O 3.44Å; M776-W811 HydrophobicContact CE-CE3 3.51Å; M776-W811 HydrophobicContact CE-CZ3 3.53Å; W781-W811 HydrophobicContact CB-CH2 4.1Å; W781-W811 HydrophobicContact CB-CZ3 3.99Å; W781-W811 HydrophobicContact CG-CZ3 4.48Å; C782-W811 HydrophobicContact CB-CZ3 3.95Å; W811-N813 HydrophobicContact CH2-CB 3.49Å; W811-N813 VanDerWaalsContact CH2-CB 3.49Å; W811-N813 VanDerWaalsContact CH2-ND2 3.29Å; W811-N813 WeakPolarHBondContact CH2-ND2 3.31Å; W811-N813 HydrophobicContact CZ2-CB 3.5Å; W811-N813 VanDerWaalsContact CZ2-CB 3.5Å; W811-N813 HydrophobicContact CZ3-CB 4.22Å; W811-W846 AromaticContact CH2-CZ2 3.84Å; W811-W846 HydrophobicContact CH2-CZ2 3.84Å; W811-W846 HydrophobicContact CZ2-CH2 4.41Å; W811-W846 AromaticContact CZ2-CZ2 3.52Å; W811-W846 HydrophobicContact CZ2-CZ2 3.52Å; W811-D882 HydrophobicContact CZ2-CB 4.32Å; W811-D882 VanDerWaalsContact NE1-CB 3.27Å; W811-D882 PolarHBondContact NE1-OD2 3.34Å; W811-F883 HydrophobicContact CZ2-CD2 4.03Å; W811-F883 AromaticContact CZ2-CE2 3.91Å; W811-F883 HydrophobicContact CZ2-CE2 3.91Å
812	I	98.9	Very high	98.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	157.4	167.5	60.4	169.6	0	0	0	109.4	F784 Y864 L868 F879 K880 T881 D882 Y910 V914	F784-I812 HydrophobicContact CD1-CG2 4.44Å; F784-I812 HydrophobicContact CE1-CG2 3.89Å; I812-Y864 HydrophobicContact CD1-CE1 4.46Å; I812-L868 HydrophobicContact CD1-CD2 3.62Å; I812-L868 HydrophobicContact CG2-CD2 4.12Å; I812-F879 HydrophobicContact CD1-CB 3.77Å; I812-F879 HydrophobicContact CD1-CD1 4.06Å; I812-F879 HydrophobicContact CD1-CG 3.94Å; I812-F879 HydrophobicContact CG1-CB 4.06Å; I812-F879 HydrophobicContact CG1-CD1 4.4Å; I812-F879 HydrophobicContact CG2-CD1 3.96Å; I812-F879 HydrophobicContact CG2-CE1 4.46Å; I812-K880 WeakPolarHBondContact CG1-O 3.34Å; I812-K880 PolarHBondContact N-O 3.06Å; I812-K880 VanDerWaalsContact N-O 3.09Å; I812-T881 HydrophobicContact CD1-CG2 3.99Å; I812-T881 HydrophobicContact CG1-CG2 4.31Å; I812-D882 PolarHBondContact O-N 3.43Å; I812-Y910 PolarHBondContact O-OH 2.95Å; I812-V914 HydrophobicContact CD1-CG1 3.91Å; I812-V914 HydrophobicContact CD1-CG2 3.84Å
813	N	98.8	Very high	98.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.185	C	C	.	.			trans	-143.8	169.5	166.9	86.7	-8.4	0	0	0	110.6	C782 W811 Y815 W846 Y864 D882 F883 Y910	C782-N813 WeakPolarHBondContact CB-OD1 3.34Å; W811-N813 HydrophobicContact CH2-CB 3.49Å; W811-N813 VanDerWaalsContact CH2-CB 3.49Å; W811-N813 VanDerWaalsContact CH2-ND2 3.29Å; W811-N813 WeakPolarHBondContact CH2-ND2 3.31Å; W811-N813 HydrophobicContact CZ2-CB 3.5Å; W811-N813 VanDerWaalsContact CZ2-CB 3.5Å; W811-N813 HydrophobicContact CZ3-CB 4.22Å; N813-Y815 PolarHBondContact O-N 3.38Å; N813-Y815 PolarHBondContact OD1-N 2.99Å; N813-Y815 VanDerWaalsContact OD1-N 3.16Å; N813-Y815 PolarHBondContact OD1-O 3.46Å; N813-Y815 VanDerWaalsContact OD1-O 3.13Å; N813-W846 PolarHBondContact ND2-NE1 3.41Å; N813-W846 VanDerWaalsContact ND2-NE1 3.1Å; N813-Y864 PolarHBondContact O-OH 2.91Å; N813-D882 HydrophobicContact CB-CB 4.49Å; N813-D882 WeakPolarHBondContact CB-O 3.4Å; N813-F883 HydrophobicContact CB-CB 4.24Å; N813-F883 HydrophobicContact CB-CD2 3.89Å; N813-F883 HydrophobicContact CB-CG 4.41Å; N813-Y910 VanDerWaalsContact CA-OH 3.31Å; N813-Y910 WeakPolarHBondContact CA-OH 3.3Å
814	P	98.8	Very high	98.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	-94	27.9	-173.5	39.7	-36.4	0	0	0	112.3	Y853 F855 D882 Y906 Y910	P814-Y853 WeakPolarHBondContact O-CD2 3.45Å; P814-Y853 PolarHBondContact O-N 3.14Å; P814-F855 HydrophobicContact CB-CE2 3.69Å; P814-F855 HydrophobicContact CB-CZ 4.17Å; P814-D882 VanDerWaalsContact CD-O 3.29Å; P814-D882 WeakPolarHBondContact CD-O 3.41Å; P814-Y906 HydrophobicContact CB-CE1 3.75Å; P814-Y906 WeakPolarHBondContact CB-OH 3.4Å; P814-Y906 HydrophobicContact CG-CE1 3.8Å; P814-Y906 PolarHBondContact O-OH 3.43Å; P814-Y910 HydrophobicContact CB-CD1 4.05Å; P814-Y910 HydrophobicContact CB-CD2 3.91Å; P814-Y910 HydrophobicContact CB-CE1 4.11Å; P814-Y910 HydrophobicContact CB-CE2 3.98Å; P814-Y910 HydrophobicContact CB-CG 3.95Å; P814-Y910 HydrophobicContact CG-CD1 3.88Å; P814-Y910 HydrophobicContact CG-CE1 3.83Å; P814-Y910 HydrophobicContact CG-CG 4.28Å
815	Y	98.8	Very high	98.6	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.016	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	162.1	-178.9	-52.1	-34.9	0	0	0	111.1	C782 N813 L850 A851 I852 Y853 F883 G884 R886 I887	C782-Y815 PolarHBondContact N-O 3.31Å; N813-Y815 PolarHBondContact O-N 3.38Å; N813-Y815 PolarHBondContact OD1-N 2.99Å; N813-Y815 VanDerWaalsContact OD1-N 3.16Å; N813-Y815 PolarHBondContact OD1-O 3.46Å; N813-Y815 VanDerWaalsContact OD1-O 3.13Å; Y815-L850 HydrophobicContact CD1-CD2 4.28Å; Y815-L850 HydrophobicContact CD2-CD1 3.92Å; Y815-L850 HydrophobicContact CD2-CD2 4.44Å; Y815-L850 HydrophobicContact CG-CD1 4.01Å; Y815-L850 HydrophobicContact CG-CD2 3.96Å; Y815-L850 HydrophobicContact CG-CG 4.34Å; Y815-A851 WeakPolarHBondContact CA-O 3.48Å; Y815-I852 HydrophobicContact CD1-CB 4.2Å; Y815-I852 HydrophobicContact CD1-CD1 4.28Å; Y815-I852 HydrophobicContact CD1-CG1 3.68Å; Y815-I852 HydrophobicContact CD1-CG2 4.06Å; Y815-I852 HydrophobicContact CE1-CD1 3.95Å; Y815-I852 HydrophobicContact CE1-CG1 3.88Å; Y815-I852 HydrophobicContact CE1-CG2 4.12Å; Y815-Y853 WeakPolarHBondContact O-CE2 3.29Å; Y815-F883 HydrophobicContact CD2-CB 4.2Å; Y815-F883 HydrophobicContact CD2-CD1 4.29Å; Y815-F883 HydrophobicContact CD2-CG 4.28Å; Y815-F883 HydrophobicContact CE2-CB 3.54Å; Y815-F883 AromaticContact CE2-CD1 3.69Å; Y815-F883 HydrophobicContact CE2-CD1 3.69Å; Y815-F883 AromaticContact CE2-CG 3.83Å; Y815-F883 HydrophobicContact CE2-CG 3.83Å; Y815-G884 PolarHBondContact OH-N 3.21Å; Y815-R886 PolarHBondContact OH-N 2.98Å; Y815-I887 HydrophobicContact CE1-CD1 3.99Å
816	I	98.9	Very high	98.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	129.8	172.9	-172	176	0	0	0	112.1	W781 D783 V822 F823 L826 L832 L850 A851 Y853	W781-I816 CarbonylContact O-C 3.52Å; W781-I816 VanDerWaalsContact O-CA 3.29Å; W781-I816 WeakPolarHBondContact O-CA 3.49Å; D783-I816 HydrophobicContact CB-CD1 4.13Å; I816-V822 HydrophobicContact CD1-CB 4.25Å; I816-V822 HydrophobicContact CD1-CG1 4.33Å; I816-F823 HydrophobicContact CD1-CB 4.34Å; I816-F823 HydrophobicContact CG2-CD2 4Å; I816-F823 HydrophobicContact CG2-CE2 4.42Å; I816-L826 HydrophobicContact CD1-CD1 3.52Å; I816-L826 HydrophobicContact CG2-CD1 4.13Å; I816-L832 HydrophobicContact CG2-CD2 3.64Å; I816-L850 WeakPolarHBondContact O-CA 3.36Å; I816-A851 HydrophobicContact CG2-CB 4.39Å; I816-A851 PolarHBondContact N-O 3.25Å; I816-A851 PolarHBondContact O-N 2.95Å; I816-Y853 HydrophobicContact CB-CE2 4.03Å; I816-Y853 HydrophobicContact CG2-CE2 4.39Å
817	G	98.6	Very high	98.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.158	C	C	.	.			trans	-74.7	139.7	173.2	0	0	0	0	0	113.2	W781 K819 S820	W781-G817 PolarHBondContact O-N 3.3Å; G817-K819 PolarHBondContact O-N 2.99Å; G817-K819 VanDerWaalsContact O-N 3.11Å; G817-S820 WeakPolarHBondContact O-CB 3.26Å; G817-S820 PolarHBondContact O-N 3.46Å
818	Q	98.7	Very high	98.7	Very high	104 Å²	104	37 Å²	37	49%	0.486	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.9	-174.2	-176.9	174.4	-17.9	0	0	114.3	S820 F823 P848 G849	Q818-S820 PolarHBondContact O-N 2.84Å; Q818-F823 HydrophobicContact CB-CD2 4.23Å; Q818-F823 HydrophobicContact CB-CE2 4.13Å; Q818-F823 HydrophobicContact CB-CG 4.46Å; Q818-F823 HydrophobicContact CB-CZ 4.33Å; Q818-F823 HydrophobicContact CG-CD1 4.13Å; Q818-F823 HydrophobicContact CG-CE1 4.07Å; Q818-F823 HydrophobicContact CG-CE2 4.48Å; Q818-F823 HydrophobicContact CG-CG 4.4Å; Q818-F823 HydrophobicContact CG-CZ 4.25Å; Q818-P848 PolarHBondContact N-O 3.47Å; Q818-G849 WeakPolarHBondContact CB-O 3.35Å
819	K	98.6	Very high	98.7	Very high	112 Å²	112	41.9 Å²	41.9	49%	0.487	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-25.5	176.8	-171.5	-172.9	169.9	-73.4	0	112	F779 Q780 G817	F779-K819 HydrophobicContact CB-CB 4.09Å; F779-K819 HydrophobicContact CB-CD 3.78Å; F779-K819 HydrophobicContact CD2-CD 4.31Å; F779-K819 WeakPolarHBondContact O-CB 3.42Å; Q780-K819 HydrophobicContact CG-CB 4.3Å; Q780-K819 HydrophobicContact CG-CD 4.36Å; Q780-K819 HydrophobicContact CG-CG 4.31Å; G817-K819 PolarHBondContact O-N 2.99Å; G817-K819 VanDerWaalsContact O-N 3.11Å
820	S	98.8	Very high	98.7	Very high	4 Å²	4	42.5 Å²	42.5	3%	0.028	21%	0.207	C	C	.	.	S	Bend	trans	-58.8	132.1	-178.3	179.5	0	0	0	0	110.7	D783 G817 Q818 V822 F823	D783-S820 WeakPolarHBondContact CB-OG 3.19Å; D783-S820 VanDerWaalsContact CG-OG 3.31Å; D783-S820 WeakPolarHBondContact OD2-CB 3.47Å; D783-S820 PolarHBondContact OD2-OG 3.14Å; G817-S820 WeakPolarHBondContact O-CB 3.26Å; G817-S820 PolarHBondContact O-N 3.46Å; Q818-S820 PolarHBondContact O-N 2.84Å; S820-V822 PolarHBondContact O-N 3.33Å; S820-V822 VanDerWaalsContact O-N 3.17Å; S820-V822 WeakPolarHBondContact OG-CB 3.37Å; S820-V822 PolarHBondContact OG-N 2.93Å; S820-F823 WeakPolarHBondContact O-CB 3.47Å; S820-F823 PolarHBondContact O-N 2.96Å
821	P	98.4	Very high	98.7	Very high	100 Å²	100	44.1 Å²	44.1	65%	0.649	21%	0.213	S	C	*	.	H	α-helix	trans	-55.3	-30.8	171.1	-24.6	34.8	0	0	0	112.8	F823	P821-F823 VanDerWaalsContact C-N 3.27Å; P821-F823 PolarHBondContact O-N 2.91Å
822	V	98.6	Very high	98.7	Very high	15 Å²	15	44.2 Å²	44.2	9%	0.091	21%	0.214	C	C	.	.	H	α-helix	trans	-68.8	-25.2	179.5	-178.6	0	0	0	0	112.1	D783 I816 S820 K824 E825 L826 W863	D783-V822 HydrophobicContact CB-CB 4.26Å; D783-V822 HydrophobicContact CB-CG2 4.21Å; I816-V822 HydrophobicContact CD1-CB 4.25Å; I816-V822 HydrophobicContact CD1-CG1 4.33Å; S820-V822 PolarHBondContact O-N 3.33Å; S820-V822 VanDerWaalsContact O-N 3.17Å; S820-V822 WeakPolarHBondContact OG-CB 3.37Å; S820-V822 PolarHBondContact OG-N 2.93Å; V822-K824 PolarHBondContact O-N 3.11Å; V822-E825 WeakPolarHBondContact O-CB 3.49Å; V822-E825 PolarHBondContact O-N 3.16Å; V822-L826 HydrophobicContact CG1-CD1 4.01Å; V822-L826 HydrophobicContact CG1-CG 4.04Å; V822-L826 WeakPolarHBondContact O-CG 3.42Å; V822-L826 PolarHBondContact O-N 3.5Å; V822-L826 VanDerWaalsContact O-N 3.09Å; V822-W863 HydrophobicContact CG1-CH2 3.52Å; V822-W863 HydrophobicContact CG1-CZ2 3.33Å
823	F	98.8	Very high	98.7	Very high	8 Å²	8	44.2 Å²	44.2	4%	0.035	21%	0.214	C	C	.	.	H	α-helix	trans	-54.4	-42.1	179.3	-173.7	-82.6	0	0	0	112.2	I816 Q818 S820 P821 E825 L826 Q827 L832 L840 A851	I816-F823 HydrophobicContact CD1-CB 4.34Å; I816-F823 HydrophobicContact CG2-CD2 4Å; I816-F823 HydrophobicContact CG2-CE2 4.42Å; Q818-F823 HydrophobicContact CB-CD2 4.23Å; Q818-F823 HydrophobicContact CB-CE2 4.13Å; Q818-F823 HydrophobicContact CB-CG 4.46Å; Q818-F823 HydrophobicContact CB-CZ 4.33Å; Q818-F823 HydrophobicContact CG-CD1 4.13Å; Q818-F823 HydrophobicContact CG-CE1 4.07Å; Q818-F823 HydrophobicContact CG-CE2 4.48Å; Q818-F823 HydrophobicContact CG-CG 4.4Å; Q818-F823 HydrophobicContact CG-CZ 4.25Å; S820-F823 WeakPolarHBondContact O-CB 3.47Å; S820-F823 PolarHBondContact O-N 2.96Å; P821-F823 VanDerWaalsContact C-N 3.27Å; P821-F823 PolarHBondContact O-N 2.91Å; F823-E825 PolarHBondContact O-N 3.23Å; F823-L826 PolarHBondContact O-N 3.02Å; F823-Q827 WeakPolarHBondContact O-CB 3.32Å; F823-Q827 PolarHBondContact O-N 3.14Å; F823-L832 HydrophobicContact CD2-CD1 4.19Å; F823-L832 HydrophobicContact CE1-CD1 4.36Å; F823-L832 HydrophobicContact CE2-CD1 3.9Å; F823-L832 HydrophobicContact CZ-CD1 3.97Å; F823-L840 HydrophobicContact CE1-CD1 3.78Å; F823-L840 HydrophobicContact CZ-CD1 3.57Å; F823-A851 HydrophobicContact CE2-CB 3.58Å; F823-A851 HydrophobicContact CZ-CB 4.07Å
824	K	98.4	Very high	98.7	Very high	131 Å²	131	48 Å²	48	57%	0.57	23%	0.23	S	C	*	.	H	α-helix	trans	-62.9	-42.5	179.2	-176.1	177.8	172.5	-176.7	0	111.7	V822 Q827 E828	V822-K824 PolarHBondContact O-N 3.11Å; K824-Q827 PolarHBondContact O-N 3.41Å; K824-E828 WeakPolarHBondContact CE-OE1 3.36Å; K824-E828 IonicContact NZ-OE1 3.57Å; K824-E828 WeakPolarHBondContact O-CB 3.39Å; K824-E828 WeakPolarHBondContact O-CG 3.35Å; K824-E828 PolarHBondContact O-N 3.47Å
825	E	98.7	Very high	98.6	Very high	63 Å²	63	51.4 Å²	51.4	29%	0.294	24%	0.243	S	C	.	.	H	α-helix	trans	-59.3	-48.3	175.9	-177.5	-164.5	154.3	0	0	111	V822 F823 Q827 E828 K829 W863	V822-E825 WeakPolarHBondContact O-CB 3.49Å; V822-E825 PolarHBondContact O-N 3.16Å; F823-E825 PolarHBondContact O-N 3.23Å; E825-Q827 PolarHBondContact O-N 3.08Å; E825-E828 PolarHBondContact O-N 3.09Å; E825-K829 HydrophobicContact CG-CD 4.04Å; E825-K829 WeakPolarHBondContact O-CB 3.36Å; E825-K829 WeakPolarHBondContact O-CG 3.48Å; E825-K829 PolarHBondContact O-N 3.27Å; E825-K829 IonicContact OE1-NZ 2.99Å; E825-K829 PolarHBondContact OE1-NZ 2.95Å; E825-W863 PolarHBondContact OE1-NE1 3.13Å
826	L	98.9	Very high	98.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-66.5	-37.8	-177.7	-62.3	171.4	0	0	0	112.2	I816 V822 F823 G830 Y831 L832 Y853 W863	I816-L826 HydrophobicContact CD1-CD1 3.52Å; I816-L826 HydrophobicContact CG2-CD1 4.13Å; V822-L826 HydrophobicContact CG1-CD1 4.01Å; V822-L826 HydrophobicContact CG1-CG 4.04Å; V822-L826 WeakPolarHBondContact O-CG 3.42Å; V822-L826 PolarHBondContact O-N 3.5Å; V822-L826 VanDerWaalsContact O-N 3.09Å; F823-L826 PolarHBondContact O-N 3.02Å; L826-G830 PolarHBondContact O-N 3.11Å; L826-Y831 HydrophobicContact CD2-CD2 3.84Å; L826-Y831 HydrophobicContact CD2-CG 4.47Å; L826-Y831 PolarHBondContact O-N 3.4Å; L826-L832 HydrophobicContact CB-CD1 3.99Å; L826-L832 HydrophobicContact CB-CD2 4.01Å; L826-L832 HydrophobicContact CB-CG 3.79Å; L826-L832 HydrophobicContact CD1-CD2 4.05Å; L826-Y853 HydrophobicContact CD1-CD1 4.25Å; L826-Y853 HydrophobicContact CD1-CE1 3.38Å; L826-Y853 HydrophobicContact CD2-CE1 4.11Å; L826-Y853 HydrophobicContact CG-CE1 4.39Å; L826-W863 HydrophobicContact CD1-CH2 4.47Å; L826-W863 HydrophobicContact CD2-CD2 3.71Å; L826-W863 HydrophobicContact CD2-CE3 3.86Å; L826-W863 HydrophobicContact CD2-CG 4.28Å; L826-W863 HydrophobicContact CD2-CH2 4.17Å; L826-W863 HydrophobicContact CD2-CZ2 3.97Å; L826-W863 HydrophobicContact CD2-CZ3 4.1Å
827	Q	98.6	Very high	98.3	Very high	98 Å²	98	61.4 Å²	61.4	46%	0.458	30%	0.302	S	S	.	.	H	α-helix	trans	-62.2	-49.5	173.7	178.6	177.6	31.7	0	0	111.3	F823 K824 E825 K829 G830 L832 L840	F823-Q827 WeakPolarHBondContact O-CB 3.32Å; F823-Q827 PolarHBondContact O-N 3.14Å; K824-Q827 PolarHBondContact O-N 3.41Å; E825-Q827 PolarHBondContact O-N 3.08Å; Q827-K829 VanDerWaalsContact C-N 3.28Å; Q827-K829 PolarHBondContact O-N 3.38Å; Q827-G830 PolarHBondContact O-N 3.35Å; Q827-G830 VanDerWaalsContact O-N 3.16Å; Q827-L832 HydrophobicContact CB-CD1 4.46Å; Q827-L840 HydrophobicContact CB-CD1 4.11Å; Q827-L840 HydrophobicContact CG-CD1 3.86Å; Q827-L840 HydrophobicContact CG-CG 4.38Å
828	E	98.5	Very high	98.1	Very high	137 Å²	137	63.6 Å²	63.6	64%	0.64	32%	0.324	S	S	*	.	H	α-helix	trans	-62.8	-35.2	-179.7	-74	173.7	177.4	0	0	112.1	K824 E825	K824-E828 WeakPolarHBondContact CE-OE1 3.36Å; K824-E828 IonicContact NZ-OE1 3.57Å; K824-E828 WeakPolarHBondContact O-CB 3.39Å; K824-E828 WeakPolarHBondContact O-CG 3.35Å; K824-E828 PolarHBondContact O-N 3.47Å; E825-E828 PolarHBondContact O-N 3.09Å
829	K	98.7	Very high	98.1	Very high	103 Å²	103	61 Å²	61	45%	0.448	32%	0.318	S	S	.	.	H	α-helix	trans	-82.2	-10.8	176.9	-68.1	179.8	-179.6	178	0	114.3	E825 Q827 Y831	E825-K829 HydrophobicContact CG-CD 4.04Å; E825-K829 WeakPolarHBondContact O-CB 3.36Å; E825-K829 WeakPolarHBondContact O-CG 3.48Å; E825-K829 PolarHBondContact O-N 3.27Å; E825-K829 IonicContact OE1-NZ 2.99Å; E825-K829 PolarHBondContact OE1-NZ 2.95Å; Q827-K829 VanDerWaalsContact C-N 3.28Å; Q827-K829 PolarHBondContact O-N 3.38Å; K829-Y831 HydrophobicContact CB-CD1 3.9Å; K829-Y831 HydrophobicContact CB-CD2 4.01Å; K829-Y831 HydrophobicContact CB-CE1 3.77Å; K829-Y831 HydrophobicContact CB-CE2 3.88Å; K829-Y831 HydrophobicContact CB-CG 4.01Å; K829-Y831 HydrophobicContact CD-CD2 4.25Å; K829-Y831 HydrophobicContact CD-CE2 3.6Å; K829-Y831 HydrophobicContact CG-CE2 4.38Å; K829-Y831 WeakPolarHBondContact O-CD1 3.27Å
830	G	98.4	Very high	98	Very high	14 Å²	14	56.6 Å²	56.6	14%	0.144	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	71	33	-178.9	0	0	0	0	0	114.1	L826 Q827 N857	L826-G830 PolarHBondContact O-N 3.11Å; Q827-G830 PolarHBondContact O-N 3.35Å; Q827-G830 VanDerWaalsContact O-N 3.16Å; G830-N857 PolarHBondContact O-ND2 3.09Å
831	Y	98.9	Very high	98	Very high	34 Å²	34	56.9 Å²	56.9	13%	0.133	30%	0.3	C	S	.	.			trans	-91.1	-2.8	-179.2	-65.7	-7	0	0	0	113.8	L826 K829 D854 D859 A860 W863	L826-Y831 HydrophobicContact CD2-CD2 3.84Å; L826-Y831 HydrophobicContact CD2-CG 4.47Å; L826-Y831 PolarHBondContact O-N 3.4Å; K829-Y831 HydrophobicContact CB-CD1 3.9Å; K829-Y831 HydrophobicContact CB-CD2 4.01Å; K829-Y831 HydrophobicContact CB-CE1 3.77Å; K829-Y831 HydrophobicContact CB-CE2 3.88Å; K829-Y831 HydrophobicContact CB-CG 4.01Å; K829-Y831 HydrophobicContact CD-CD2 4.25Å; K829-Y831 HydrophobicContact CD-CE2 3.6Å; K829-Y831 HydrophobicContact CG-CE2 4.38Å; K829-Y831 WeakPolarHBondContact O-CD1 3.27Å; Y831-D854 PolarHBondContact O-N 3.46Å; Y831-D859 HydrophobicContact CD1-CB 4.34Å; Y831-D859 HydrophobicContact CE1-CB 3.43Å; Y831-D859 VanDerWaalsContact CE1-CB 3.43Å; Y831-A860 HydrophobicContact CD1-CB 4.05Å; Y831-A860 HydrophobicContact CD2-CB 4.44Å; Y831-A860 HydrophobicContact CG-CB 3.8Å; Y831-W863 HydrophobicContact CD2-CB 3.91Å; Y831-W863 HydrophobicContact CD2-CG 4.04Å; Y831-W863 HydrophobicContact CE2-CB 3.73Å; Y831-W863 AromaticContact CE2-CD1 3.89Å; Y831-W863 AromaticContact CE2-CG 3.97Å; Y831-W863 HydrophobicContact CE2-CG 3.97Å
832	L	98.9	Very high	98	Very high	1 Å²	1	55 Å²	55	1%	0.005	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-102.5	145.2	179.7	-59.8	176.6	0	0	0	110.7	I816 F823 L826 Q827 L840 A851 I852 Y853	I816-L832 HydrophobicContact CG2-CD2 3.64Å; F823-L832 HydrophobicContact CD2-CD1 4.19Å; F823-L832 HydrophobicContact CE1-CD1 4.36Å; F823-L832 HydrophobicContact CE2-CD1 3.9Å; F823-L832 HydrophobicContact CZ-CD1 3.97Å; L826-L832 HydrophobicContact CB-CD1 3.99Å; L826-L832 HydrophobicContact CB-CD2 4.01Å; L826-L832 HydrophobicContact CB-CG 3.79Å; L826-L832 HydrophobicContact CD1-CD2 4.05Å; Q827-L832 HydrophobicContact CB-CD1 4.46Å; L832-L840 HydrophobicContact CB-CD1 4.48Å; L832-L840 HydrophobicContact CB-CD2 3.75Å; L832-L840 HydrophobicContact CD1-CD1 3.76Å; L832-L840 HydrophobicContact CD1-CD2 4.46Å; L832-A851 HydrophobicContact CB-CB 4.28Å; L832-A851 HydrophobicContact CD1-CB 3.84Å; L832-A851 HydrophobicContact CD2-CB 4.13Å; L832-A851 HydrophobicContact CG-CB 4.3Å; L832-I852 CarbonylContact C-O 3.54Å; L832-I852 WeakPolarHBondContact CA-O 3.1Å; L832-Y853 HydrophobicContact CD2-CD1 4.38Å
833	L	98.7	Very high	98	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.291	C	S	.	.			trans	-58	134	179.6	-174.6	61.4	0	0	0	111.6	W841 I852 P888 V891 W893	L833-W841 PolarHBondContact O-N 3.23Å; L833-I852 HydrophobicContact CB-CB 4.07Å; L833-I852 HydrophobicContact CD2-CB 4.18Å; L833-I852 HydrophobicContact CD2-CD1 4.2Å; L833-I852 HydrophobicContact CD2-CG2 4.42Å; L833-I852 PolarHBondContact N-O 3.49Å; L833-P888 HydrophobicContact CD2-CG 3.71Å; L833-V891 HydrophobicContact CD1-CB 4.07Å; L833-V891 HydrophobicContact CD1-CG2 4.19Å; L833-V891 HydrophobicContact CD2-CB 4.21Å; L833-V891 HydrophobicContact CD2-CG1 3.88Å; L833-V891 HydrophobicContact CD2-CG2 4.18Å; L833-V891 HydrophobicContact CG-CB 4.06Å; L833-V891 HydrophobicContact CG-CG1 3.97Å; L833-V891 HydrophobicContact CG-CG2 4.42Å; L833-W893 HydrophobicContact CD1-CD2 3.82Å; L833-W893 HydrophobicContact CD1-CE3 3.58Å; L833-W893 HydrophobicContact CD1-CH2 4.06Å; L833-W893 HydrophobicContact CD1-CZ2 4.27Å; L833-W893 HydrophobicContact CD1-CZ3 3.72Å; L833-W893 HydrophobicContact CD2-CH2 4.02Å; L833-W893 HydrophobicContact CD2-CZ2 4.27Å; L833-W893 HydrophobicContact CD2-CZ3 4.39Å
834	K	98.6	Very high	97.9	Very high	79 Å²	79	63.6 Å²	63.6	34%	0.343	32%	0.322	S	S	.	.	B	Isolated β-bridge	trans	-110.8	151.8	-174.1	-66.4	177.9	-176.9	173	0	112.6	S839 L840 V891 Q892	K834-S839 CarbonylContact C-O 3.57Å; K834-S839 VanDerWaalsContact CA-O 3.29Å; K834-S839 WeakPolarHBondContact CA-O 2.96Å; K834-L840 HydrophobicContact CG-CD2 4.35Å; K834-V891 WeakPolarHBondContact O-CA 3.31Å; K834-V891 VanDerWaalsContact O-CB 3.31Å; K834-V891 WeakPolarHBondContact O-CB 3.49Å; K834-Q892 PolarHBondContact O-N 3.33Å
835	R	98	Very high	97.3	Very high	73 Å²	73	63 Å²	63	28%	0.275	32%	0.32	S	S	.	.			trans	-73.9	162.3	162.3	-65.7	-175.8	177	-73.4	-4.1	109.8	D837 G838 S839 W841 D890	R835-D837 WeakPolarHBondContact CB-OD1 3.36Å; R835-D837 PolarHBondContact O-N 3.03Å; R835-D837 VanDerWaalsContact O-N 3.08Å; R835-G838 PolarHBondContact O-N 2.79Å; R835-S839 WeakPolarHBondContact CD-OG 3.48Å; R835-S839 PolarHBondContact N-O 3.29Å; R835-W841 HydrophobicContact CG-CB 4.17Å; R835-D890 IonicContact CZ-OD2 3.58Å; R835-D890 IonicContact NH1-OD2 3.15Å; R835-D890 PolarHBondContact NH1-OD2 3.23Å
836	P	93.9	Very high	97.2	Very high	89 Å²	89	63.4 Å²	63.4	58%	0.578	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-21.3	177.5	-27	36	0	0	0	115.1	G838	P836-G838 VanDerWaalsContact C-N 3.27Å
837	D	96.5	Very high	97.1	Very high	125 Å²	125	63.7 Å²	63.7	67%	0.668	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	0.1	176.4	69.1	-1.5	0	0	0	113.8	R835 S839	R835-D837 WeakPolarHBondContact CB-OD1 3.36Å; R835-D837 PolarHBondContact O-N 3.03Å; R835-D837 VanDerWaalsContact O-N 3.08Å; D837-S839 VanDerWaalsContact C-N 3.33Å; D837-S839 VanDerWaalsContact OD1-CB 3.26Å; D837-S839 WeakPolarHBondContact OD1-CB 3.46Å; D837-S839 PolarHBondContact OD1-N 3.22Å; D837-S839 PolarHBondContact OD1-OG 3.1Å; D837-S839 PolarHBondContact OD2-OG 3.02Å
838	G	95.2	Very high	97.1	Very high	46 Å²	46	61.8 Å²	61.8	47%	0.474	32%	0.316	S	S	.	.	S	Bend	trans	86.8	-7.2	-178.6	0	0	0	0	0	114.8	R835 P836	R835-G838 PolarHBondContact O-N 2.79Å; P836-G838 VanDerWaalsContact C-N 3.27Å
839	S	97.3	Very high	97	Very high	50 Å²	50	55.6 Å²	55.6	35%	0.35	29%	0.289	S	S	.	.	S	Bend	trans	-69.9	160.5	171	69.3	0	0	0	0	111.2	K834 R835 D837	K834-S839 CarbonylContact C-O 3.57Å; K834-S839 VanDerWaalsContact CA-O 3.29Å; K834-S839 WeakPolarHBondContact CA-O 2.96Å; R835-S839 WeakPolarHBondContact CD-OG 3.48Å; R835-S839 PolarHBondContact N-O 3.29Å; D837-S839 VanDerWaalsContact C-N 3.33Å; D837-S839 VanDerWaalsContact OD1-CB 3.26Å; D837-S839 WeakPolarHBondContact OD1-CB 3.46Å; D837-S839 PolarHBondContact OD1-N 3.22Å; D837-S839 PolarHBondContact OD1-OG 3.1Å; D837-S839 PolarHBondContact OD2-OG 3.02Å
840	L	98.5	Very high	97	Very high	19 Å²	19	50.8 Å²	50.8	10%	0.099	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-68.6	140.4	174.9	-63.9	-173	0	0	0	110.5	F823 Q827 L832 K834 Q842	F823-L840 HydrophobicContact CE1-CD1 3.78Å; F823-L840 HydrophobicContact CZ-CD1 3.57Å; Q827-L840 HydrophobicContact CB-CD1 4.11Å; Q827-L840 HydrophobicContact CG-CD1 3.86Å; Q827-L840 HydrophobicContact CG-CG 4.38Å; L832-L840 HydrophobicContact CB-CD1 4.48Å; L832-L840 HydrophobicContact CB-CD2 3.75Å; L832-L840 HydrophobicContact CD1-CD1 3.76Å; L832-L840 HydrophobicContact CD1-CD2 4.46Å; K834-L840 HydrophobicContact CG-CD2 4.35Å; L840-Q842 HydrophobicContact CB-CG 3.98Å; L840-Q842 PolarHBondContact O-N 3.11Å
841	W	98.5	Very high	97	Very high	10 Å²	10	50.1 Å²	50.1	4%	0.038	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-73.5	122.4	161.6	-172.8	98.7	0	0	0	108.6	L833 R835 W843 L850 I852 P888 D890 V891	L833-W841 PolarHBondContact O-N 3.23Å; R835-W841 HydrophobicContact CG-CB 4.17Å; W841-W843 HydrophobicContact CH2-CB 4.49Å; W841-W843 AromaticContact CH2-CD1 3.91Å; W841-W843 AromaticContact CH2-CD2 3.28Å; W841-W843 HydrophobicContact CH2-CD2 3.28Å; W841-W843 AromaticContact CH2-CE2 3.35Å; W841-W843 AromaticContact CH2-CE3 3.56Å; W841-W843 HydrophobicContact CH2-CE3 3.56Å; W841-W843 AromaticContact CH2-CG 3.71Å; W841-W843 HydrophobicContact CH2-CG 3.71Å; W841-W843 AromaticContact CH2-CH2 3.94Å; W841-W843 HydrophobicContact CH2-CH2 3.94Å; W841-W843 AromaticContact CH2-CZ2 3.71Å; W841-W843 HydrophobicContact CH2-CZ2 3.71Å; W841-W843 AromaticContact CH2-CZ3 3.87Å; W841-W843 HydrophobicContact CH2-CZ3 3.87Å; W841-W843 AromaticContact CH2-NE1 3.77Å; W841-W843 AromaticContact CZ2-CD2 3.87Å; W841-W843 HydrophobicContact CZ2-CD2 3.87Å; W841-W843 AromaticContact CZ2-CE3 3.7Å; W841-W843 HydrophobicContact CZ2-CE3 3.7Å; W841-W843 HydrophobicContact CZ2-CG 4.33Å; W841-W843 HydrophobicContact CZ2-CH2 4.43Å; W841-W843 AromaticContact CZ2-CZ3 3.99Å; W841-W843 HydrophobicContact CZ2-CZ3 3.99Å; W841-W843 AromaticContact CZ3-CD1 3.9Å; W841-W843 HydrophobicContact CZ3-CD2 4.06Å; W841-W843 AromaticContact CZ3-CE2 3.97Å; W841-W843 HydrophobicContact CZ3-CG 4.06Å; W841-W843 AromaticContact CZ3-NE1 3.9Å; W841-L850 HydrophobicContact CZ3-CD2 4.36Å; W841-I852 HydrophobicContact CE3-CD1 4.08Å; W841-I852 HydrophobicContact CE3-CG1 4.15Å; W841-I852 HydrophobicContact CH2-CD1 4.31Å; W841-I852 HydrophobicContact CZ3-CD1 3.71Å; W841-I852 HydrophobicContact CZ3-CG1 3.93Å; W841-P888 HydrophobicContact CD2-CB 4.14Å; W841-P888 HydrophobicContact CD2-CG 3.7Å; W841-P888 VanDerWaalsContact CE2-CG 3.48Å; W841-P888 HydrophobicContact CE3-CG 4.19Å; W841-P888 HydrophobicContact CG-CB 4.44Å; W841-P888 HydrophobicContact CG-CG 4.01Å; W841-P888 HydrophobicContact CH2-CB 4.37Å; W841-P888 HydrophobicContact CH2-CG 4.2Å; W841-P888 HydrophobicContact CZ2-CB 3.55Å; W841-P888 HydrophobicContact CZ2-CG 3.77Å; W841-P888 HydrophobicContact CZ3-CG 4.43Å; W841-P888 VanDerWaalsContact NE1-CB 3.27Å; W841-D890 PolarHBondContact NE1-OD1 3.37Å; W841-V891 HydrophobicContact CB-CG1 3.83Å; W841-V891 VanDerWaalsContact CD1-CG1 3.41Å; W841-V891 HydrophobicContact CG-CG1 3.72Å
842	Q	98.4	Very high	97	Very high	60 Å²	60	48.5 Å²	48.5	28%	0.28	26%	0.255	S	S	.	.			trans	-142.1	152.4	179.1	-66.8	-176.2	-85.8	0	0	112.1	L840 G849 L850 A851	L840-Q842 HydrophobicContact CB-CG 3.98Å; L840-Q842 PolarHBondContact O-N 3.11Å; Q842-G849 PolarHBondContact NE2-O 3.2Å; Q842-L850 VanDerWaalsContact CA-O 3.25Å; Q842-L850 WeakPolarHBondContact CA-O 3.29Å; Q842-A851 HydrophobicContact CG-CB 4.37Å
843	W	97	Very high	97	Very high	75 Å²	75	48.5 Å²	48.5	28%	0.284	26%	0.255	S	S	.	.	B	Isolated β-bridge	trans	-155.2	-177.3	168.8	70.4	-1.7	0	0	0	111.2	W841 K845 G849 L850 R886	W841-W843 HydrophobicContact CH2-CB 4.49Å; W841-W843 AromaticContact CH2-CD1 3.91Å; W841-W843 AromaticContact CH2-CD2 3.28Å; W841-W843 HydrophobicContact CH2-CD2 3.28Å; W841-W843 AromaticContact CH2-CE2 3.35Å; W841-W843 AromaticContact CH2-CE3 3.56Å; W841-W843 HydrophobicContact CH2-CE3 3.56Å; W841-W843 AromaticContact CH2-CG 3.71Å; W841-W843 HydrophobicContact CH2-CG 3.71Å; W841-W843 AromaticContact CH2-CH2 3.94Å; W841-W843 HydrophobicContact CH2-CH2 3.94Å; W841-W843 AromaticContact CH2-CZ2 3.71Å; W841-W843 HydrophobicContact CH2-CZ2 3.71Å; W841-W843 AromaticContact CH2-CZ3 3.87Å; W841-W843 HydrophobicContact CH2-CZ3 3.87Å; W841-W843 AromaticContact CH2-NE1 3.77Å; W841-W843 AromaticContact CZ2-CD2 3.87Å; W841-W843 HydrophobicContact CZ2-CD2 3.87Å; W841-W843 AromaticContact CZ2-CE3 3.7Å; W841-W843 HydrophobicContact CZ2-CE3 3.7Å; W841-W843 HydrophobicContact CZ2-CG 4.33Å; W841-W843 HydrophobicContact CZ2-CH2 4.43Å; W841-W843 AromaticContact CZ2-CZ3 3.99Å; W841-W843 HydrophobicContact CZ2-CZ3 3.99Å; W841-W843 AromaticContact CZ3-CD1 3.9Å; W841-W843 HydrophobicContact CZ3-CD2 4.06Å; W841-W843 AromaticContact CZ3-CE2 3.97Å; W841-W843 HydrophobicContact CZ3-CG 4.06Å; W841-W843 AromaticContact CZ3-NE1 3.9Å; W843-K845 HydrophobicContact CD2-CB 4.26Å; W843-K845 HydrophobicContact CZ2-CB 4.3Å; W843-K845 HydrophobicContact CZ3-CD 4.5Å; W843-G849 CarbonylContact O-C 3.58Å; W843-G849 WeakPolarHBondContact O-CA 3.38Å; W843-G849 PolarHBondContact O-N 2.87Å; W843-L850 PolarHBondContact N-O 3.29Å; W843-L850 PolarHBondContact O-N 3.4Å; W843-R886 HydrophobicContact CH2-CB 3.86Å; W843-R886 HydrophobicContact CH2-CG 4.42Å; W843-R886 HydrophobicContact CZ2-CB 3.98Å
844	D	96.8	Very high	97	Very high	128 Å²	128	48.8 Å²	48.8	68%	0.684	26%	0.256	S	S	*	.			trans	-114.5	10.8	-174.6	-64.8	-51.2	0	0	0	114.6	Q847 G849	D844-Q847 CarbonylContact C-O 3.54Å; D844-G849 PolarHBondContact OD1-N 3.13Å
845	K	86.9	Confident	97	Very high	118 Å²	118	45.3 Å²	45.3	51%	0.513	24%	0.242	S	C	.	.	S	Bend	trans	-75.3	143	170.8	-68.4	-168	174.9	-173.5	0	109.3	W843 Q847 L850	W843-K845 HydrophobicContact CD2-CB 4.26Å; W843-K845 HydrophobicContact CZ2-CB 4.3Å; W843-K845 HydrophobicContact CZ3-CD 4.5Å; K845-Q847 PolarHBondContact O-N 2.96Å; K845-L850 WeakPolarHBondContact O-CD1 3.45Å
846	W	96.5	Very high	97.1	Very high	73 Å²	73	42.8 Å²	42.8	28%	0.277	23%	0.234	S	C	.	.	S	Bend	trans	66.6	-56.6	-176.6	-178.4	-115.6	0	0	0	115.1	F743 W781 W811 N813 L850 F883	F743-W846 HydrophobicContact CE1-CZ3 4.49Å; F743-W846 AromaticContact CE2-CH2 3.85Å; F743-W846 HydrophobicContact CE2-CH2 3.85Å; F743-W846 HydrophobicContact CE2-CZ3 4.4Å; F743-W846 AromaticContact CZ-CH2 3.67Å; F743-W846 HydrophobicContact CZ-CH2 3.67Å; F743-W846 AromaticContact CZ-CZ3 3.75Å; F743-W846 HydrophobicContact CZ-CZ3 3.75Å; W781-W846 AromaticContact CE3-CE2 3.91Å; W781-W846 HydrophobicContact CE3-CH2 4.09Å; W781-W846 AromaticContact CE3-CZ2 3.48Å; W781-W846 HydrophobicContact CE3-CZ2 3.48Å; W781-W846 VanDerWaalsContact CE3-CZ2 3.48Å; W781-W846 AromaticContact CZ3-CH2 3.84Å; W781-W846 HydrophobicContact CZ3-CH2 3.84Å; W781-W846 AromaticContact CZ3-CZ2 3.73Å; W781-W846 HydrophobicContact CZ3-CZ2 3.73Å; W811-W846 AromaticContact CH2-CZ2 3.84Å; W811-W846 HydrophobicContact CH2-CZ2 3.84Å; W811-W846 HydrophobicContact CZ2-CH2 4.41Å; W811-W846 AromaticContact CZ2-CZ2 3.52Å; W811-W846 HydrophobicContact CZ2-CZ2 3.52Å; N813-W846 PolarHBondContact ND2-NE1 3.41Å; N813-W846 VanDerWaalsContact ND2-NE1 3.1Å; W846-L850 HydrophobicContact CB-CD1 3.93Å; W846-L850 HydrophobicContact CG-CD1 4.21Å; W846-F883 HydrophobicContact CB-CE1 4.5Å; W846-F883 AromaticContact CD2-CE1 3.94Å; W846-F883 HydrophobicContact CD2-CE1 3.94Å; W846-F883 AromaticContact CD2-CE2 3.99Å; W846-F883 HydrophobicContact CD2-CE2 3.99Å; W846-F883 AromaticContact CD2-CZ 3.39Å; W846-F883 HydrophobicContact CD2-CZ 3.39Å; W846-F883 AromaticContact CE2-CE2 3.65Å; W846-F883 AromaticContact CE2-CZ 3.59Å; W846-F883 HydrophobicContact CE3-CE1 4.07Å; W846-F883 HydrophobicContact CE3-CE2 4.19Å; W846-F883 AromaticContact CE3-CZ 3.37Å; W846-F883 HydrophobicContact CE3-CZ 3.37Å; W846-F883 HydrophobicContact CG-CE1 4.13Å; W846-F883 HydrophobicContact CG-CZ 4.04Å; W846-F883 AromaticContact CH2-CE2 3.76Å; W846-F883 HydrophobicContact CH2-CE2 3.76Å; W846-F883 AromaticContact CH2-CZ 3.73Å; W846-F883 HydrophobicContact CH2-CZ 3.73Å; W846-F883 AromaticContact CZ2-CE2 3.56Å; W846-F883 HydrophobicContact CZ2-CE2 3.56Å; W846-F883 AromaticContact CZ2-CZ 3.77Å; W846-F883 HydrophobicContact CZ2-CZ 3.77Å; W846-F883 HydrophobicContact CZ3-CE2 4.08Å; W846-F883 AromaticContact CZ3-CZ 3.54Å; W846-F883 HydrophobicContact CZ3-CZ 3.54Å
847	Q	97.2	Very high	97.3	Very high	6 Å²	6	38.7 Å²	38.7	3%	0.028	21%	0.207	C	C	.	.	S	Bend	trans	-132.9	149.8	175.5	-57.4	-73.3	-74.2	0	0	110.7	W781 D844 K845 G849 L850	W781-Q847 HydrophobicContact CB-CG 4.35Å; D844-Q847 CarbonylContact C-O 3.54Å; K845-Q847 PolarHBondContact O-N 2.96Å; Q847-G849 PolarHBondContact O-N 3.15Å; Q847-L850 HydrophobicContact CB-CB 4.13Å; Q847-L850 HydrophobicContact CB-CD1 4.2Å; Q847-L850 HydrophobicContact CG-CD1 4.37Å; Q847-L850 WeakPolarHBondContact O-CB 3.42Å; Q847-L850 PolarHBondContact O-N 3.34Å
848	P	97.2	Very high	97.4	Very high	58 Å²	58	36.7 Å²	36.7	38%	0.377	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	130.5	173.1	-20.5	32.3	0	0	0	111.5	F779 Q818 L850	F779-P848 HydrophobicContact CB-CG 4.18Å; F779-P848 HydrophobicContact CD1-CG 3.73Å; F779-P848 HydrophobicContact CE1-CG 4.37Å; F779-P848 HydrophobicContact CG-CG 4.07Å; Q818-P848 PolarHBondContact N-O 3.47Å; P848-L850 PolarHBondContact O-N 3.37Å
849	G	96.9	Very high	97.6	Very high	7 Å²	7	38.7 Å²	38.7	7%	0.072	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	32.4	-178.6	0	0	0	0	0	113.6	Q818 Q842 W843 D844 Q847 A851	Q818-G849 WeakPolarHBondContact CB-O 3.35Å; Q842-G849 PolarHBondContact NE2-O 3.2Å; W843-G849 CarbonylContact O-C 3.58Å; W843-G849 WeakPolarHBondContact O-CA 3.38Å; W843-G849 PolarHBondContact O-N 2.87Å; D844-G849 PolarHBondContact OD1-N 3.13Å; Q847-G849 PolarHBondContact O-N 3.15Å; G849-A851 PolarHBondContact O-N 2.67Å
850	L	98.5	Very high	97.6	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.01	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-54.9	131.6	-178.6	-179.7	156.6	0	0	0	111.1	Y815 I816 W841 Q842 W843 K845 W846 Q847 P848 I852	Y815-L850 HydrophobicContact CD1-CD2 4.28Å; Y815-L850 HydrophobicContact CD2-CD1 3.92Å; Y815-L850 HydrophobicContact CD2-CD2 4.44Å; Y815-L850 HydrophobicContact CG-CD1 4.01Å; Y815-L850 HydrophobicContact CG-CD2 3.96Å; Y815-L850 HydrophobicContact CG-CG 4.34Å; I816-L850 WeakPolarHBondContact O-CA 3.36Å; W841-L850 HydrophobicContact CZ3-CD2 4.36Å; Q842-L850 VanDerWaalsContact CA-O 3.25Å; Q842-L850 WeakPolarHBondContact CA-O 3.29Å; W843-L850 PolarHBondContact N-O 3.29Å; W843-L850 PolarHBondContact O-N 3.4Å; K845-L850 WeakPolarHBondContact O-CD1 3.45Å; W846-L850 HydrophobicContact CB-CD1 3.93Å; W846-L850 HydrophobicContact CG-CD1 4.21Å; Q847-L850 HydrophobicContact CB-CB 4.13Å; Q847-L850 HydrophobicContact CB-CD1 4.2Å; Q847-L850 HydrophobicContact CG-CD1 4.37Å; Q847-L850 WeakPolarHBondContact O-CB 3.42Å; Q847-L850 PolarHBondContact O-N 3.34Å; P848-L850 PolarHBondContact O-N 3.37Å; L850-I852 HydrophobicContact CD2-CG1 4.15Å
851	A	98.7	Very high	97.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	167.6	164.9	0	0	0	0	0	111	Y815 I816 F823 L832 Q842 G849	Y815-A851 WeakPolarHBondContact CA-O 3.48Å; I816-A851 HydrophobicContact CG2-CB 4.39Å; I816-A851 PolarHBondContact N-O 3.25Å; I816-A851 PolarHBondContact O-N 2.95Å; F823-A851 HydrophobicContact CE2-CB 3.58Å; F823-A851 HydrophobicContact CZ-CB 4.07Å; L832-A851 HydrophobicContact CB-CB 4.28Å; L832-A851 HydrophobicContact CD1-CB 3.84Å; L832-A851 HydrophobicContact CD2-CB 4.13Å; L832-A851 HydrophobicContact CG-CB 4.3Å; Q842-A851 HydrophobicContact CG-CB 4.37Å; G849-A851 PolarHBondContact O-N 2.67Å
852	I	98.9	Very high	97.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	137.7	-178.6	-56	-175.7	0	0	0	108.7	Y815 L832 L833 W841 L850 D854 I887 P888 Y906	Y815-I852 HydrophobicContact CD1-CB 4.2Å; Y815-I852 HydrophobicContact CD1-CD1 4.28Å; Y815-I852 HydrophobicContact CD1-CG1 3.68Å; Y815-I852 HydrophobicContact CD1-CG2 4.06Å; Y815-I852 HydrophobicContact CE1-CD1 3.95Å; Y815-I852 HydrophobicContact CE1-CG1 3.88Å; Y815-I852 HydrophobicContact CE1-CG2 4.12Å; L832-I852 CarbonylContact C-O 3.54Å; L832-I852 WeakPolarHBondContact CA-O 3.1Å; L833-I852 HydrophobicContact CB-CB 4.07Å; L833-I852 HydrophobicContact CD2-CB 4.18Å; L833-I852 HydrophobicContact CD2-CD1 4.2Å; L833-I852 HydrophobicContact CD2-CG2 4.42Å; L833-I852 PolarHBondContact N-O 3.49Å; W841-I852 HydrophobicContact CE3-CD1 4.08Å; W841-I852 HydrophobicContact CE3-CG1 4.15Å; W841-I852 HydrophobicContact CH2-CD1 4.31Å; W841-I852 HydrophobicContact CZ3-CD1 3.71Å; W841-I852 HydrophobicContact CZ3-CG1 3.93Å; L850-I852 HydrophobicContact CD2-CG1 4.15Å; I852-D854 PolarHBondContact O-N 3.37Å; I852-I887 HydrophobicContact CD1-CD1 4.11Å; I852-I887 HydrophobicContact CG2-CD1 4.41Å; I852-P888 VanDerWaalsContact CD1-CD 3.43Å; I852-P888 HydrophobicContact CD1-CG 4.17Å; I852-Y906 HydrophobicContact CG2-CE2 4.12Å; I852-Y906 VanDerWaalsContact CG2-OH 3.26Å; I852-Y906 WeakPolarHBondContact CG2-OH 3.44Å
853	Y	98.9	Very high	97.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-67.3	127.4	171.5	-68.5	-81.9	0	0	0	109.9	C782 P814 Y815 I816 L826 L832 F855 W863 Y864 Y906	C782-Y853 PolarHBondContact O-OH 3.26Å; P814-Y853 WeakPolarHBondContact O-CD2 3.45Å; P814-Y853 PolarHBondContact O-N 3.14Å; Y815-Y853 WeakPolarHBondContact O-CE2 3.29Å; I816-Y853 HydrophobicContact CB-CE2 4.03Å; I816-Y853 HydrophobicContact CG2-CE2 4.39Å; L826-Y853 HydrophobicContact CD1-CD1 4.25Å; L826-Y853 HydrophobicContact CD1-CE1 3.38Å; L826-Y853 HydrophobicContact CD2-CE1 4.11Å; L826-Y853 HydrophobicContact CG-CE1 4.39Å; L832-Y853 HydrophobicContact CD2-CD1 4.38Å; Y853-F855 HydrophobicContact CG-CE1 4.35Å; Y853-F855 HydrophobicContact CG-CZ 4.46Å; Y853-F855 PolarHBondContact O-N 2.87Å; Y853-F855 VanDerWaalsContact O-N 3.14Å; Y853-W863 HydrophobicContact CE1-CE3 4.05Å; Y853-W863 AromaticContact CE1-CZ3 3.67Å; Y853-W863 HydrophobicContact CE1-CZ3 3.67Å; Y853-Y864 HydrophobicContact CD1-CD2 4.06Å; Y853-Y864 AromaticContact CD2-CD2 3.77Å; Y853-Y864 HydrophobicContact CD2-CD2 3.77Å; Y853-Y864 AromaticContact CD2-CE2 3.65Å; Y853-Y864 HydrophobicContact CD2-CE2 3.65Å; Y853-Y864 HydrophobicContact CE1-CD2 4.14Å; Y853-Y864 AromaticContact CE2-CD2 3.9Å; Y853-Y864 HydrophobicContact CE2-CD2 3.9Å; Y853-Y864 AromaticContact CE2-CE2 3.69Å; Y853-Y864 HydrophobicContact CE2-CE2 3.69Å; Y853-Y864 AromaticContact CG-CD2 3.88Å; Y853-Y864 HydrophobicContact CG-CD2 3.88Å; Y853-Y864 HydrophobicContact CG-CE2 4.22Å; Y853-Y906 PolarHBondContact O-OH 3.2Å
854	D	98.9	Very high	97.8	Very high	6 Å²	6	36.7 Å²	36.7	3%	0.032	19%	0.189	C	C	.	.			trans	-83.6	92.2	179.1	-171.4	-20.1	0	0	0	110.4	Y831 I852 T856 N857 A860 F894	Y831-D854 PolarHBondContact O-N 3.46Å; I852-D854 PolarHBondContact O-N 3.37Å; D854-T856 PolarHBondContact O-N 3.41Å; D854-T856 WeakPolarHBondContact OD1-CB 3.43Å; D854-T856 PolarHBondContact OD1-N 3.06Å; D854-T856 PolarHBondContact OD1-OG1 3.49Å; D854-N857 HydrophobicContact CB-CB 4.42Å; D854-N857 WeakPolarHBondContact O-CB 3.41Å; D854-N857 PolarHBondContact O-N 3.34Å; D854-A860 WeakPolarHBondContact O-CB 3.44Å; D854-F894 WeakPolarHBondContact OD2-CB 3.36Å; D854-F894 PolarHBondContact OD2-N 3.14Å
855	F	98.9	Very high	97.9	Very high	7 Å²	7	31.2 Å²	31.2	3%	0.031	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	5.8	179	-61.2	-40	0	0	0	115.2	P814 Y853 N857 C861 Y864 Y906 I909 Y910 L913	P814-F855 HydrophobicContact CB-CE2 3.69Å; P814-F855 HydrophobicContact CB-CZ 4.17Å; Y853-F855 HydrophobicContact CG-CE1 4.35Å; Y853-F855 HydrophobicContact CG-CZ 4.46Å; Y853-F855 PolarHBondContact O-N 2.87Å; Y853-F855 VanDerWaalsContact O-N 3.14Å; F855-N857 VanDerWaalsContact C-N 3.35Å; F855-C861 VanDerWaalsContact C-SG 3.59Å; F855-C861 VanDerWaalsContact CA-SG 3.5Å; F855-C861 PolarHBondContact O-SG 3.31Å; F855-Y864 HydrophobicContact CE1-CD1 4.26Å; F855-Y864 AromaticContact CE1-CD2 3.78Å; F855-Y864 HydrophobicContact CE1-CD2 3.78Å; F855-Y864 HydrophobicContact CE1-CE2 4.35Å; F855-Y864 AromaticContact CE1-CG 3.73Å; F855-Y864 HydrophobicContact CE1-CG 3.73Å; F855-Y864 HydrophobicContact CZ-CD1 4.18Å; F855-Y864 AromaticContact CZ-CD2 3.74Å; F855-Y864 HydrophobicContact CZ-CD2 3.74Å; F855-Y864 HydrophobicContact CZ-CE1 4.26Å; F855-Y864 AromaticContact CZ-CE2 3.83Å; F855-Y864 HydrophobicContact CZ-CE2 3.83Å; F855-Y864 AromaticContact CZ-CG 3.93Å; F855-Y864 HydrophobicContact CZ-CG 3.93Å; F855-Y906 HydrophobicContact CB-CE2 4.43Å; F855-Y906 HydrophobicContact CD2-CE1 4.21Å; F855-Y906 AromaticContact CD2-CE2 3.8Å; F855-Y906 HydrophobicContact CD2-CE2 3.8Å; F855-Y906 AromaticContact CD2-CZ 3.53Å; F855-Y906 WeakPolarHBondContact CD2-OH 3.27Å; F855-Y906 HydrophobicContact CE2-CE1 4.31Å; F855-Y906 AromaticContact CE2-CZ 3.83Å; F855-Y906 WeakPolarHBondContact CE2-OH 3.36Å; F855-Y906 HydrophobicContact CG-CE2 4.4Å; F855-I909 HydrophobicContact CB-CG2 3.72Å; F855-Y910 AromaticContact CE2-CD2 3.58Å; F855-Y910 HydrophobicContact CE2-CD2 3.58Å; F855-Y910 HydrophobicContact CE2-CE2 4.48Å; F855-Y910 HydrophobicContact CE2-CG 4.02Å; F855-Y910 HydrophobicContact CZ-CD2 4.13Å; F855-L913 HydrophobicContact CD1-CD1 3.88Å; F855-L913 HydrophobicContact CE1-CD1 4.08Å; F855-L913 HydrophobicContact CG-CD1 4.38Å
856	T	98.8	Very high	98.5	Very high	19 Å²	19	28.7 Å²	28.7	12%	0.117	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-13.8	163.5	72	0	0	0	0	111.6	D854 W893 F894 D895 M902	D854-T856 PolarHBondContact O-N 3.41Å; D854-T856 WeakPolarHBondContact OD1-CB 3.43Å; D854-T856 PolarHBondContact OD1-N 3.06Å; D854-T856 PolarHBondContact OD1-OG1 3.49Å; T856-W893 HydrophobicContact CG2-CB 4.17Å; T856-W893 HydrophobicContact CG2-CD2 4.12Å; T856-W893 HydrophobicContact CG2-CE3 3.64Å; T856-W893 HydrophobicContact CG2-CG 4.35Å; T856-W893 HydrophobicContact CG2-CZ3 4.4Å; T856-F894 WeakPolarHBondContact OG1-CB 3.35Å; T856-F894 PolarHBondContact OG1-N 3.04Å; T856-F894 VanDerWaalsContact OG1-N 3.08Å; T856-D895 PolarHBondContact OG1-N 3.37Å; T856-M902 HydrophobicContact CG2-CE 3.72Å; T856-M902 HydrophobicContact CG2-SD 4.13Å
857	N	98.8	Very high	98.6	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.021	15%	0.152	C	C	.	.	S	Bend	trans	-86.5	114.8	171.8	-176.9	-17.6	0	0	0	110.2	G830 D854 F855 D859 A860 C861 F894	G830-N857 PolarHBondContact O-ND2 3.09Å; D854-N857 HydrophobicContact CB-CB 4.42Å; D854-N857 WeakPolarHBondContact O-CB 3.41Å; D854-N857 PolarHBondContact O-N 3.34Å; F855-N857 VanDerWaalsContact C-N 3.35Å; N857-D859 VanDerWaalsContact C-N 3.25Å; N857-D859 PolarHBondContact O-N 3.11Å; N857-D859 PolarHBondContact OD1-N 3.49Å; N857-A860 HydrophobicContact CB-CB 3.85Å; N857-A860 WeakPolarHBondContact O-CB 3.35Å; N857-A860 PolarHBondContact O-N 3.23Å; N857-A860 VanDerWaalsContact O-N 3.11Å; N857-C861 PolarHBondContact O-N 3.27Å; N857-C861 PolarHBondContact O-SG 2.96Å; N857-F894 HydrophobicContact CB-CB 3.79Å; N857-F894 HydrophobicContact CB-CD1 3.98Å; N857-F894 HydrophobicContact CB-CD2 3.98Å; N857-F894 HydrophobicContact CB-CG 3.64Å
858	P	98.7	Very high	98.7	Very high	83 Å²	83	27.6 Å²	27.6	54%	0.539	15%	0.151	S	C	.	.	H	α-helix	trans	-61.5	-31.8	-177.4	25.2	-34.4	0	0	0	113.2	C861 K862	P858-C861 WeakPolarHBondContact O-CB 3.37Å; P858-C861 PolarHBondContact O-N 3.27Å; P858-K862 WeakPolarHBondContact O-CB 3.48Å; P858-K862 PolarHBondContact O-N 3.46Å
859	D	98.8	Very high	98.7	Very high	88 Å²	88	28.7 Å²	28.7	47%	0.471	15%	0.15	S	C	.	.	H	α-helix	trans	-73.6	-34.4	178.5	-68	-35.6	0	0	0	111.7	Y831 N857 K862 W863	Y831-D859 HydrophobicContact CD1-CB 4.34Å; Y831-D859 HydrophobicContact CE1-CB 3.43Å; Y831-D859 VanDerWaalsContact CE1-CB 3.43Å; N857-D859 VanDerWaalsContact C-N 3.25Å; N857-D859 PolarHBondContact O-N 3.11Å; N857-D859 PolarHBondContact OD1-N 3.49Å; D859-K862 PolarHBondContact O-N 2.97Å; D859-W863 WeakPolarHBondContact O-CB 3.3Å; D859-W863 PolarHBondContact O-N 3.09Å
860	A	98.8	Very high	98.8	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.008	16%	0.162	C	C	.	.	H	α-helix	trans	-67.3	-42.7	172.6	0	0	0	0	0	110.9	Y831 D854 N857 K862 W863 Y864	Y831-A860 HydrophobicContact CD1-CB 4.05Å; Y831-A860 HydrophobicContact CD2-CB 4.44Å; Y831-A860 HydrophobicContact CG-CB 3.8Å; D854-A860 WeakPolarHBondContact O-CB 3.44Å; N857-A860 HydrophobicContact CB-CB 3.85Å; N857-A860 WeakPolarHBondContact O-CB 3.35Å; N857-A860 PolarHBondContact O-N 3.23Å; N857-A860 VanDerWaalsContact O-N 3.11Å; A860-K862 VanDerWaalsContact C-N 3.34Å; A860-K862 PolarHBondContact O-N 3.46Å; A860-W863 PolarHBondContact O-N 3.02Å; A860-Y864 PolarHBondContact O-N 3.04Å
861	C	98.8	Very high	98.8	Very high	27 Å²	27	29.9 Å²	29.9	18%	0.182	16%	0.162	C	C	.	.	H	α-helix	trans	-56.5	-48.4	172.7	-71.2	0	0	0	0	111.4	F855 N857 P858 W863 Y864 A865 L913	F855-C861 VanDerWaalsContact C-SG 3.59Å; F855-C861 VanDerWaalsContact CA-SG 3.5Å; F855-C861 PolarHBondContact O-SG 3.31Å; N857-C861 PolarHBondContact O-N 3.27Å; N857-C861 PolarHBondContact O-SG 2.96Å; P858-C861 WeakPolarHBondContact O-CB 3.37Å; P858-C861 PolarHBondContact O-N 3.27Å; C861-W863 PolarHBondContact O-N 3.15Å; C861-Y864 PolarHBondContact O-N 3.08Å; C861-A865 VanDerWaalsContact O-CB 3.23Å; C861-A865 WeakPolarHBondContact O-CB 3.26Å; C861-A865 PolarHBondContact O-N 3.27Å; C861-L913 HydrophobicContact CB-CD1 3.65Å
862	K	98.9	Very high	98.8	Very high	124 Å²	124	30.7 Å²	30.7	54%	0.539	17%	0.167	S	C	.	.	H	α-helix	trans	-59.9	-45.6	177.2	-175.4	-177	-179.9	-61.2	0	111.6	P858 D859 A860 Y864 A865 D866	P858-K862 WeakPolarHBondContact O-CB 3.48Å; P858-K862 PolarHBondContact O-N 3.46Å; D859-K862 PolarHBondContact O-N 2.97Å; A860-K862 VanDerWaalsContact C-N 3.34Å; A860-K862 PolarHBondContact O-N 3.46Å; K862-Y864 PolarHBondContact O-N 2.83Å; K862-A865 PolarHBondContact O-N 2.9Å; K862-D866 IonicContact NZ-OD2 3.33Å; K862-D866 PolarHBondContact NZ-OD2 3.32Å; K862-D866 WeakPolarHBondContact O-CB 3.26Å; K862-D866 PolarHBondContact O-N 3.16Å
863	W	98.9	Very high	98.8	Very high	19 Å²	19	34.8 Å²	34.8	7%	0.072	20%	0.2	C	C	.	.	H	α-helix	trans	-60.2	-45.8	179.7	-175	101.6	0	0	0	111.9	F784 V822 E825 L826 Y831 Y853 D859 A860 C861 D866 K867	F784-W863 HydrophobicContact CD2-CH2 4.14Å; F784-W863 HydrophobicContact CD2-CZ3 4.04Å; F784-W863 HydrophobicContact CE2-CH2 4.41Å; F784-W863 AromaticContact CE2-CZ3 3.87Å; F784-W863 HydrophobicContact CE2-CZ3 3.87Å; V822-W863 HydrophobicContact CG1-CH2 3.52Å; V822-W863 HydrophobicContact CG1-CZ2 3.33Å; E825-W863 PolarHBondContact OE1-NE1 3.13Å; L826-W863 HydrophobicContact CD1-CH2 4.47Å; L826-W863 HydrophobicContact CD2-CD2 3.71Å; L826-W863 HydrophobicContact CD2-CE3 3.86Å; L826-W863 HydrophobicContact CD2-CG 4.28Å; L826-W863 HydrophobicContact CD2-CH2 4.17Å; L826-W863 HydrophobicContact CD2-CZ2 3.97Å; L826-W863 HydrophobicContact CD2-CZ3 4.1Å; Y831-W863 HydrophobicContact CD2-CB 3.91Å; Y831-W863 HydrophobicContact CD2-CG 4.04Å; Y831-W863 HydrophobicContact CE2-CB 3.73Å; Y831-W863 AromaticContact CE2-CD1 3.89Å; Y831-W863 AromaticContact CE2-CG 3.97Å; Y831-W863 HydrophobicContact CE2-CG 3.97Å; Y853-W863 HydrophobicContact CE1-CE3 4.05Å; Y853-W863 AromaticContact CE1-CZ3 3.67Å; Y853-W863 HydrophobicContact CE1-CZ3 3.67Å; D859-W863 WeakPolarHBondContact O-CB 3.3Å; D859-W863 PolarHBondContact O-N 3.09Å; A860-W863 PolarHBondContact O-N 3.02Å; C861-W863 PolarHBondContact O-N 3.15Å; W863-D866 PolarHBondContact O-N 3.43Å; W863-K867 HydrophobicContact CD2-CG 4.45Å; W863-K867 VanDerWaalsContact CE2-NZ 3.34Å; W863-K867 HydrophobicContact CE3-CG 4.13Å; W863-K867 HydrophobicContact CH2-CD 4.24Å; W863-K867 HydrophobicContact CH2-CG 3.72Å; W863-K867 HydrophobicContact CZ2-CD 4.35Å; W863-K867 HydrophobicContact CZ2-CG 4.11Å; W863-K867 HydrophobicContact CZ3-CG 3.75Å; W863-K867 PolarHBondContact O-N 2.92Å
864	Y	98.9	Very high	98.8	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-65.4	-45.7	178.4	-166.2	-80.7	0	0	0	110.6	F784 I812 N813 Y853 F855 A860 C861 K862 D866 K867 L868 Y910 L913 V914	F784-Y864 AromaticContact CE2-CD2 3.94Å; F784-Y864 HydrophobicContact CE2-CD2 3.94Å; F784-Y864 AromaticContact CE2-CE2 3.91Å; F784-Y864 HydrophobicContact CE2-CE2 3.91Å; F784-Y864 HydrophobicContact CZ-CD1 4.23Å; F784-Y864 AromaticContact CZ-CD2 3.75Å; F784-Y864 HydrophobicContact CZ-CD2 3.75Å; F784-Y864 AromaticContact CZ-CE1 3.93Å; F784-Y864 HydrophobicContact CZ-CE1 3.93Å; F784-Y864 AromaticContact CZ-CE2 3.42Å; F784-Y864 HydrophobicContact CZ-CE2 3.42Å; F784-Y864 VanDerWaalsContact CZ-CE2 3.42Å; F784-Y864 HydrophobicContact CZ-CG 4.15Å; F784-Y864 AromaticContact CZ-CZ 3.51Å; I812-Y864 HydrophobicContact CD1-CE1 4.46Å; N813-Y864 PolarHBondContact O-OH 2.91Å; Y853-Y864 HydrophobicContact CD1-CD2 4.06Å; Y853-Y864 AromaticContact CD2-CD2 3.77Å; Y853-Y864 HydrophobicContact CD2-CD2 3.77Å; Y853-Y864 AromaticContact CD2-CE2 3.65Å; Y853-Y864 HydrophobicContact CD2-CE2 3.65Å; Y853-Y864 HydrophobicContact CE1-CD2 4.14Å; Y853-Y864 AromaticContact CE2-CD2 3.9Å; Y853-Y864 HydrophobicContact CE2-CD2 3.9Å; Y853-Y864 AromaticContact CE2-CE2 3.69Å; Y853-Y864 HydrophobicContact CE2-CE2 3.69Å; Y853-Y864 AromaticContact CG-CD2 3.88Å; Y853-Y864 HydrophobicContact CG-CD2 3.88Å; Y853-Y864 HydrophobicContact CG-CE2 4.22Å; F855-Y864 HydrophobicContact CE1-CD1 4.26Å; F855-Y864 AromaticContact CE1-CD2 3.78Å; F855-Y864 HydrophobicContact CE1-CD2 3.78Å; F855-Y864 HydrophobicContact CE1-CE2 4.35Å; F855-Y864 AromaticContact CE1-CG 3.73Å; F855-Y864 HydrophobicContact CE1-CG 3.73Å; F855-Y864 HydrophobicContact CZ-CD1 4.18Å; F855-Y864 AromaticContact CZ-CD2 3.74Å; F855-Y864 HydrophobicContact CZ-CD2 3.74Å; F855-Y864 HydrophobicContact CZ-CE1 4.26Å; F855-Y864 AromaticContact CZ-CE2 3.83Å; F855-Y864 HydrophobicContact CZ-CE2 3.83Å; F855-Y864 AromaticContact CZ-CG 3.93Å; F855-Y864 HydrophobicContact CZ-CG 3.93Å; A860-Y864 PolarHBondContact O-N 3.04Å; C861-Y864 PolarHBondContact O-N 3.08Å; K862-Y864 PolarHBondContact O-N 2.83Å; Y864-D866 VanDerWaalsContact C-N 3.33Å; Y864-D866 PolarHBondContact O-N 3.2Å; Y864-K867 WeakPolarHBondContact O-CB 3.47Å; Y864-K867 PolarHBondContact O-N 3.49Å; Y864-K867 VanDerWaalsContact O-N 3.16Å; Y864-L868 HydrophobicContact CD1-CD1 3.77Å; Y864-L868 HydrophobicContact CD1-CG 4.09Å; Y864-L868 HydrophobicContact CE1-CD1 3.75Å; Y864-L868 HydrophobicContact CE1-CD2 4.2Å; Y864-L868 HydrophobicContact CE1-CG 4.08Å; Y864-L868 WeakPolarHBondContact O-CG 3.26Å; Y864-L868 PolarHBondContact O-N 3.42Å; Y864-L868 VanDerWaalsContact O-N 3.14Å; Y864-Y910 HydrophobicContact CE1-CE2 4.2Å; Y864-L913 HydrophobicContact CD1-CD2 3.67Å; Y864-L913 HydrophobicContact CE1-CD2 4.33Å; Y864-V914 HydrophobicContact CE1-CG2 4.27Å
865	A	98.9	Very high	98.8	Very high	13 Å²	13	38.6 Å²	38.6	11%	0.107	22%	0.224	C	C	.	.	H	α-helix	trans	-59.5	-40.8	176.8	0	0	0	0	0	112.6	C861 K862 K867 L868 K869 L913 V917	C861-A865 VanDerWaalsContact O-CB 3.23Å; C861-A865 WeakPolarHBondContact O-CB 3.26Å; C861-A865 PolarHBondContact O-N 3.27Å; K862-A865 PolarHBondContact O-N 2.9Å; A865-K867 VanDerWaalsContact C-N 3.31Å; A865-K867 PolarHBondContact O-N 3.26Å; A865-L868 WeakPolarHBondContact O-CB 3.2Å; A865-L868 PolarHBondContact O-N 2.87Å; A865-K869 WeakPolarHBondContact O-CG 3.43Å; A865-K869 PolarHBondContact O-N 3.43Å; A865-L913 HydrophobicContact CB-CD2 4.31Å; A865-V917 HydrophobicContact CB-CG2 3.6Å
866	D	98.9	Very high	98.8	Very high	65 Å²	65	38.3 Å²	38.3	35%	0.348	22%	0.223	S	C	.	.	H	α-helix	trans	-65.2	-34.2	177.8	-72.2	-17.7	0	0	0	111.9	K862 W863 Y864 K869 G870	K862-D866 IonicContact NZ-OD2 3.33Å; K862-D866 PolarHBondContact NZ-OD2 3.32Å; K862-D866 WeakPolarHBondContact O-CB 3.26Å; K862-D866 PolarHBondContact O-N 3.16Å; W863-D866 PolarHBondContact O-N 3.43Å; Y864-D866 VanDerWaalsContact C-N 3.33Å; Y864-D866 PolarHBondContact O-N 3.2Å; D866-K869 PolarHBondContact O-N 2.85Å; D866-G870 PolarHBondContact O-N 2.67Å
867	K	98.8	Very high	98.8	Very high	56 Å²	56	38.1 Å²	38.1	24%	0.243	22%	0.221	C	C	.	.	H	α-helix	trans	-65.5	-43.5	172.8	-69.7	-65.6	-175.3	-66.7	0	112.2	F784 W863 Y864 A865 G870 L871	F784-K867 HydrophobicContact CB-CB 4.06Å; F784-K867 HydrophobicContact CB-CD 4.12Å; F784-K867 HydrophobicContact CB-CG 4.29Å; F784-K867 HydrophobicContact CD1-CB 4.01Å; F784-K867 HydrophobicContact CD2-CB 3.6Å; F784-K867 HydrophobicContact CD2-CD 4.32Å; F784-K867 HydrophobicContact CD2-CG 3.67Å; F784-K867 HydrophobicContact CE1-CB 4.33Å; F784-K867 HydrophobicContact CE2-CB 3.98Å; F784-K867 HydrophobicContact CE2-CG 4.21Å; F784-K867 HydrophobicContact CG-CB 3.61Å; F784-K867 HydrophobicContact CG-CD 4.42Å; F784-K867 HydrophobicContact CG-CG 4.05Å; F784-K867 HydrophobicContact CZ-CB 4.29Å; W863-K867 HydrophobicContact CD2-CG 4.45Å; W863-K867 VanDerWaalsContact CE2-NZ 3.34Å; W863-K867 HydrophobicContact CE3-CG 4.13Å; W863-K867 HydrophobicContact CH2-CD 4.24Å; W863-K867 HydrophobicContact CH2-CG 3.72Å; W863-K867 HydrophobicContact CZ2-CD 4.35Å; W863-K867 HydrophobicContact CZ2-CG 4.11Å; W863-K867 HydrophobicContact CZ3-CG 3.75Å; W863-K867 PolarHBondContact O-N 2.92Å; Y864-K867 WeakPolarHBondContact O-CB 3.47Å; Y864-K867 PolarHBondContact O-N 3.49Å; Y864-K867 VanDerWaalsContact O-N 3.16Å; A865-K867 VanDerWaalsContact C-N 3.31Å; A865-K867 PolarHBondContact O-N 3.26Å; K867-G870 PolarHBondContact O-N 2.88Å; K867-L871 PolarHBondContact O-N 3.23Å; K867-L871 VanDerWaalsContact O-N 3.17Å
868	L	98.9	Very high	98.8	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.2	-44.5	174.8	-62.7	174.9	0	0	0	111.8	F784 I812 Y864 A865 G870 L871 V872 F879 L913 V914 V917	F784-L868 HydrophobicContact CE1-CD2 3.78Å; F784-L868 HydrophobicContact CE1-CG 4.49Å; F784-L868 HydrophobicContact CZ-CD2 4.49Å; I812-L868 HydrophobicContact CD1-CD2 3.62Å; I812-L868 HydrophobicContact CG2-CD2 4.12Å; Y864-L868 HydrophobicContact CD1-CD1 3.77Å; Y864-L868 HydrophobicContact CD1-CG 4.09Å; Y864-L868 HydrophobicContact CE1-CD1 3.75Å; Y864-L868 HydrophobicContact CE1-CD2 4.2Å; Y864-L868 HydrophobicContact CE1-CG 4.08Å; Y864-L868 WeakPolarHBondContact O-CG 3.26Å; Y864-L868 PolarHBondContact O-N 3.42Å; Y864-L868 VanDerWaalsContact O-N 3.14Å; A865-L868 WeakPolarHBondContact O-CB 3.2Å; A865-L868 PolarHBondContact O-N 2.87Å; L868-G870 PolarHBondContact O-N 2.82Å; L868-L871 WeakPolarHBondContact O-CB 3.38Å; L868-L871 PolarHBondContact O-N 2.75Å; L868-V872 WeakPolarHBondContact O-CG2 3.48Å; L868-V872 PolarHBondContact O-N 3.49Å; L868-F879 HydrophobicContact CB-CE2 4.25Å; L868-F879 HydrophobicContact CB-CZ 4.01Å; L868-F879 HydrophobicContact CD2-CD1 4.07Å; L868-F879 HydrophobicContact CD2-CD2 4.48Å; L868-F879 HydrophobicContact CD2-CE1 3.74Å; L868-F879 HydrophobicContact CD2-CE2 4.19Å; L868-F879 HydrophobicContact CD2-CG 4.43Å; L868-F879 HydrophobicContact CD2-CZ 3.8Å; L868-F879 HydrophobicContact CG-CZ 4.48Å; L868-L913 HydrophobicContact CD1-CD2 4.08Å; L868-V914 HydrophobicContact CD1-CB 4.28Å; L868-V914 HydrophobicContact CD1-CG1 4.14Å; L868-V914 HydrophobicContact CD1-CG2 3.9Å; L868-V917 HydrophobicContact CB-CB 4.39Å; L868-V917 HydrophobicContact CB-CG1 3.77Å; L868-V917 HydrophobicContact CB-CG2 4.34Å; L868-V917 HydrophobicContact CD1-CB 4.35Å; L868-V917 HydrophobicContact CD1-CG2 4.05Å
869	K	98.9	Very high	98.8	Very high	81 Å²	81	34 Å²	34	35%	0.352	20%	0.195	S	C	.	.	H	α-helix	trans	-57.3	-38.4	174.3	-72.3	174.7	-179.7	176.4	0	111.7	A865 D866 V872 A873 V917 T921	A865-K869 WeakPolarHBondContact O-CG 3.43Å; A865-K869 PolarHBondContact O-N 3.43Å; D866-K869 PolarHBondContact O-N 2.85Å; K869-V872 PolarHBondContact O-N 3.4Å; K869-A873 WeakPolarHBondContact O-CB 3.37Å; K869-A873 PolarHBondContact O-N 3.1Å; K869-V917 HydrophobicContact CG-CG1 3.79Å; K869-T921 HydrophobicContact CG-CG2 3.9Å
870	G	98.6	Very high	98.8	Very high	31 Å²	31	30 Å²	30	32%	0.32	17%	0.173	S	C	.	.	H	α-helix	trans	-58.4	-45.2	172.8	0	0	0	0	0	112.9	D866 K867 L868 A873 M874	D866-G870 PolarHBondContact O-N 2.67Å; K867-G870 PolarHBondContact O-N 2.88Å; L868-G870 PolarHBondContact O-N 2.82Å; G870-A873 PolarHBondContact O-N 3.01Å; G870-M874 WeakPolarHBondContact O-CG 3.5Å; G870-M874 PolarHBondContact O-N 2.75Å
871	L	98.9	Very high	98.8	Very high	3 Å²	3	30 Å²	30	2%	0.016	17%	0.173	C	C	.	.	H	α-helix	trans	-67.1	-41.4	177	-67.6	167.7	0	0	0	112.3	W775 F784 W786 V810 K867 L868 A873 M874 G875 V876 F879	W775-L871 HydrophobicContact CH2-CD1 3.96Å; W775-L871 HydrophobicContact CH2-CD2 3.91Å; W775-L871 HydrophobicContact CZ2-CD1 4.28Å; W775-L871 HydrophobicContact CZ3-CD2 4.15Å; F784-L871 HydrophobicContact CD1-CD1 3.9Å; W786-L871 HydrophobicContact CZ2-CD2 4.46Å; V810-L871 HydrophobicContact CG2-CD1 4.21Å; K867-L871 PolarHBondContact O-N 3.23Å; K867-L871 VanDerWaalsContact O-N 3.17Å; L868-L871 WeakPolarHBondContact O-CB 3.38Å; L868-L871 PolarHBondContact O-N 2.75Å; L871-A873 VanDerWaalsContact C-N 3.31Å; L871-A873 PolarHBondContact O-N 3.41Å; L871-M874 HydrophobicContact CD2-SD 4.4Å; L871-M874 WeakPolarHBondContact O-CB 3.43Å; L871-M874 PolarHBondContact O-N 2.96Å; L871-M874 VanDerWaalsContact O-N 3.13Å; L871-G875 PolarHBondContact O-N 2.63Å; L871-V876 HydrophobicContact CB-CB 4.35Å; L871-V876 HydrophobicContact CB-CG2 4.11Å; L871-V876 WeakPolarHBondContact O-CB 3.37Å; L871-V876 WeakPolarHBondContact O-CG2 3.22Å; L871-V876 PolarHBondContact O-N 3.02Å; L871-F879 HydrophobicContact CB-CE1 4.17Å; L871-F879 HydrophobicContact CB-CZ 4.25Å; L871-F879 HydrophobicContact CD1-CE1 3.97Å
872	V	98.8	Very high	98.8	Very high	18 Å²	18	29 Å²	29	11%	0.109	17%	0.165	C	C	.	.	H	α-helix	trans	-61.6	-41.7	174.8	177.1	0	0	0	0	110.8	L868 K869 M874 G875 F879 L918 T921 V922	L868-V872 WeakPolarHBondContact O-CG2 3.48Å; L868-V872 PolarHBondContact O-N 3.49Å; K869-V872 PolarHBondContact O-N 3.4Å; V872-M874 PolarHBondContact O-N 3.21Å; V872-G875 WeakPolarHBondContact O-CA 3.42Å; V872-G875 PolarHBondContact O-N 2.62Å; V872-F879 HydrophobicContact CG2-CE2 3.86Å; V872-F879 HydrophobicContact CG2-CZ 3.84Å; V872-L918 HydrophobicContact CG2-CD2 4.18Å; V872-T921 HydrophobicContact CG1-CG2 4.49Å; V872-V922 HydrophobicContact CG1-CG1 3.68Å
873	A	98.6	Very high	98.8	Very high	85 Å²	85	23.3 Å²	23.3	70%	0.702	14%	0.141	S	C	*	.	H	α-helix	trans	-62.2	-28	176	0	0	0	0	0	113.1	K869 G870 L871 G875	K869-A873 WeakPolarHBondContact O-CB 3.37Å; K869-A873 PolarHBondContact O-N 3.1Å; G870-A873 PolarHBondContact O-N 3.01Å; L871-A873 VanDerWaalsContact C-N 3.31Å; L871-A873 PolarHBondContact O-N 3.41Å; A873-G875 PolarHBondContact O-N 3.08Å
874	M	98.6	Very high	98.7	Very high	69 Å²	69	22.4 Å²	22.4	34%	0.34	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-10.3	171.6	-65.3	175.9	-168.4	0	0	113.5	E795 G870 L871 V872	E795-M874 HydrophobicContact CB-CB 4.43Å; E795-M874 HydrophobicContact CB-CG 4.46Å; E795-M874 HydrophobicContact CG-CB 4.12Å; E795-M874 HydrophobicContact CG-CG 4.38Å; G870-M874 WeakPolarHBondContact O-CG 3.5Å; G870-M874 PolarHBondContact O-N 2.75Å; L871-M874 HydrophobicContact CD2-SD 4.4Å; L871-M874 WeakPolarHBondContact O-CB 3.43Å; L871-M874 PolarHBondContact O-N 2.96Å; L871-M874 VanDerWaalsContact O-N 3.13Å; V872-M874 PolarHBondContact O-N 3.21Å
875	G	98.5	Very high	98.7	Very high	18 Å²	18	22.4 Å²	22.4	19%	0.186	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	108.5	7.7	178.2	0	0	0	0	0	115.4	K802 L871 V872 A873	K802-G875 WeakPolarHBondContact CD-O 3.12Å; K802-G875 PolarHBondContact NZ-O 3.2Å; L871-G875 PolarHBondContact O-N 2.63Å; V872-G875 WeakPolarHBondContact O-CA 3.42Å; V872-G875 PolarHBondContact O-N 2.62Å; A873-G875 PolarHBondContact O-N 3.08Å
876	V	98.8	Very high	98.5	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.006	15%	0.146	C	C	.	.			trans	-63	132.5	169.1	176	0	0	0	0	109.4	I798 V810 L871 C878 F879	I798-V876 HydrophobicContact CD1-CG2 3.93Å; V810-V876 HydrophobicContact CG1-CG1 4.23Å; V810-V876 HydrophobicContact CG1-CG2 3.84Å; V810-V876 HydrophobicContact CG2-CG1 3.9Å; V810-V876 HydrophobicContact CG2-CG2 4.39Å; L871-V876 HydrophobicContact CB-CB 4.35Å; L871-V876 HydrophobicContact CB-CG2 4.11Å; L871-V876 WeakPolarHBondContact O-CB 3.37Å; L871-V876 WeakPolarHBondContact O-CG2 3.22Å; L871-V876 PolarHBondContact O-N 3.02Å; V876-C878 WeakPolarHBondContact CG1-O 3.43Å; V876-F879 HydrophobicContact CG1-CD1 4.47Å; V876-F879 HydrophobicContact CG1-CE1 4.01Å; V876-F879 HydrophobicContact CG1-CZ 4.29Å
877	D	98.9	Very high	98.5	Very high	15 Å²	15	22.6 Å²	22.6	8%	0.08	13%	0.131	C	C	.	.			trans	-94.8	-30.6	-177.3	-59.6	-85.7	0	0	0	112.7	W733 K802 K807 I808 L918	W733-D877 HydrophobicContact CH2-CB 4.46Å; K802-D877 IonicContact NZ-OD1 3.53Å; K802-D877 PolarHBondContact NZ-OD1 3.14Å; K802-D877 IonicContact NZ-OD2 2.7Å; K802-D877 PolarHBondContact NZ-OD2 2.99Å; K807-D877 VanDerWaalsContact CA-OD2 3.29Å; K807-D877 WeakPolarHBondContact CA-OD2 3.36Å; K807-D877 HydrophobicContact CB-CB 4.3Å; K807-D877 HydrophobicContact CD-CB 3.85Å; K807-D877 WeakPolarHBondContact CD-OD1 3.39Å; K807-D877 IonicContact NZ-OD1 3.03Å; K807-D877 PolarHBondContact NZ-OD1 3.03Å; I808-D877 PolarHBondContact N-OD2 3.31Å; I808-D877 PolarHBondContact O-N 3.34Å; D877-L918 WeakPolarHBondContact O-CD2 3.27Å
878	C	98.9	Very high	98.1	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.007	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	173	-175.2	60.4	0	0	0	0	113.6	W733 I808 C809 V810 V876 V928	W733-C878 HydrophobicContact CH2-CB 4.19Å; I808-C878 PolarHBondContact O-N 2.98Å; C809-C878 WeakPolarHBondContact CA-O 3.42Å; C809-C878 VanDerWaalsContact CB-SG 3.51Å; V810-C878 PolarHBondContact N-O 2.88Å; V876-C878 WeakPolarHBondContact CG1-O 3.43Å; C878-V928 HydrophobicContact CB-CG1 3.75Å; C878-V928 WeakPolarHBondContact CB-O 3.29Å
879	F	98.9	Very high	97.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	137.7	-175.1	-61.9	-72.7	0	0	0	112.6	V810 I812 L868 L871 V872 V876 T881 V914 L918 L929 F930	V810-F879 HydrophobicContact CG2-CD1 3.64Å; V810-F879 HydrophobicContact CG2-CE1 3.68Å; I812-F879 HydrophobicContact CD1-CB 3.77Å; I812-F879 HydrophobicContact CD1-CD1 4.06Å; I812-F879 HydrophobicContact CD1-CG 3.94Å; I812-F879 HydrophobicContact CG1-CB 4.06Å; I812-F879 HydrophobicContact CG1-CD1 4.4Å; I812-F879 HydrophobicContact CG2-CD1 3.96Å; I812-F879 HydrophobicContact CG2-CE1 4.46Å; L868-F879 HydrophobicContact CB-CE2 4.25Å; L868-F879 HydrophobicContact CB-CZ 4.01Å; L868-F879 HydrophobicContact CD2-CD1 4.07Å; L868-F879 HydrophobicContact CD2-CD2 4.48Å; L868-F879 HydrophobicContact CD2-CE1 3.74Å; L868-F879 HydrophobicContact CD2-CE2 4.19Å; L868-F879 HydrophobicContact CD2-CG 4.43Å; L868-F879 HydrophobicContact CD2-CZ 3.8Å; L868-F879 HydrophobicContact CG-CZ 4.48Å; L871-F879 HydrophobicContact CB-CE1 4.17Å; L871-F879 HydrophobicContact CB-CZ 4.25Å; L871-F879 HydrophobicContact CD1-CE1 3.97Å; V872-F879 HydrophobicContact CG2-CE2 3.86Å; V872-F879 HydrophobicContact CG2-CZ 3.84Å; V876-F879 HydrophobicContact CG1-CD1 4.47Å; V876-F879 HydrophobicContact CG1-CE1 4.01Å; V876-F879 HydrophobicContact CG1-CZ 4.29Å; F879-T881 PolarHBondContact O-N 3.22Å; F879-V914 HydrophobicContact CB-CG1 3.94Å; F879-V914 HydrophobicContact CD2-CG1 3.67Å; F879-V914 HydrophobicContact CG-CG1 4.06Å; F879-L918 HydrophobicContact CD2-CD1 4.22Å; F879-L918 HydrophobicContact CD2-CD2 3.98Å; F879-L918 HydrophobicContact CD2-CG 4.13Å; F879-L918 HydrophobicContact CE2-CD2 3.81Å; F879-L918 HydrophobicContact CE2-CG 4.26Å; F879-L929 HydrophobicContact CB-CD2 4.33Å; F879-L929 CarbonylContact O-C 3.53Å; F879-L929 WeakPolarHBondContact O-CA 3.38Å; F879-F930 PolarHBondContact O-N 3.3Å
880	K	98.9	Very high	97.4	Very high	4 Å²	4	22.4 Å²	22.4	2%	0.017	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	103.5	161.8	178.8	-162.6	176.3	-162.6	0	107.2	C809 V810 I812 D882 F930	C809-K880 PolarHBondContact SG-N 3.27Å; C809-K880 VanDerWaalsContact SG-N 3.44Å; V810-K880 PolarHBondContact O-N 2.64Å; I812-K880 WeakPolarHBondContact CG1-O 3.34Å; I812-K880 PolarHBondContact N-O 3.06Å; I812-K880 VanDerWaalsContact N-O 3.09Å; K880-D882 VanDerWaalsContact C-N 3.33Å; K880-D882 HydrophobicContact CD-CB 4.41Å; K880-D882 WeakPolarHBondContact CE-OD2 3.5Å; K880-D882 HydrophobicContact CG-CB 4.42Å; K880-D882 IonicContact NZ-OD2 2.7Å; K880-D882 PolarHBondContact NZ-OD2 3.03Å; K880-D882 PolarHBondContact O-N 3.45Å; K880-D882 VanDerWaalsContact O-N 3.07Å; K880-F930 WeakPolarHBondContact CA-O 3.45Å; K880-F930 HydrophobicContact CB-CB 4.05Å; K880-F930 HydrophobicContact CG-CB 4.1Å; K880-F930 WeakPolarHBondContact CG-O 3.4Å
881	T	98.9	Very high	97.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	80.5	176.7	41.9	0	0	0	0	110.3	I812 F879 Y910 N911 V914 L929 F930 A931 R932	I812-T881 HydrophobicContact CD1-CG2 3.99Å; I812-T881 HydrophobicContact CG1-CG2 4.31Å; F879-T881 PolarHBondContact O-N 3.22Å; T881-Y910 WeakPolarHBondContact CA-OH 3.41Å; T881-Y910 HydrophobicContact CG2-CE1 4.31Å; T881-Y910 HydrophobicContact CG2-CE2 4.28Å; T881-N911 VanDerWaalsContact CB-OD1 3.24Å; T881-N911 WeakPolarHBondContact CB-OD1 3.49Å; T881-N911 PolarHBondContact OG1-OD1 2.99Å; T881-V914 HydrophobicContact CG2-CB 3.87Å; T881-V914 HydrophobicContact CG2-CG1 3.75Å; T881-V914 HydrophobicContact CG2-CG2 3.76Å; T881-L929 HydrophobicContact CG2-CD1 4.2Å; T881-L929 HydrophobicContact CG2-CD2 4.19Å; T881-F930 PolarHBondContact N-O 3.11Å; T881-A931 WeakPolarHBondContact O-CA 3.41Å; T881-A931 VanDerWaalsContact OG1-CA 3.26Å; T881-A931 WeakPolarHBondContact OG1-CA 3.48Å; T881-A931 VanDerWaalsContact OG1-CB 3.31Å; T881-A931 WeakPolarHBondContact OG1-CB 3.26Å; T881-R932 PolarHBondContact O-N 3.34Å; T881-R932 VanDerWaalsContact O-N 3.1Å
882	D	98.2	Very high	97.2	Very high	5 Å²	5	26.8 Å²	26.8	3%	0.027	15%	0.151	C	C	.	.			trans	-82.6	161.9	-176.1	-151.1	-5.9	0	0	0	111.8	W811 I812 N813 P814 K880 R932	W811-D882 HydrophobicContact CZ2-CB 4.32Å; W811-D882 VanDerWaalsContact NE1-CB 3.27Å; W811-D882 PolarHBondContact NE1-OD2 3.34Å; I812-D882 PolarHBondContact O-N 3.43Å; N813-D882 HydrophobicContact CB-CB 4.49Å; N813-D882 WeakPolarHBondContact CB-O 3.4Å; P814-D882 VanDerWaalsContact CD-O 3.29Å; P814-D882 WeakPolarHBondContact CD-O 3.41Å; K880-D882 VanDerWaalsContact C-N 3.33Å; K880-D882 HydrophobicContact CD-CB 4.41Å; K880-D882 WeakPolarHBondContact CE-OD2 3.5Å; K880-D882 HydrophobicContact CG-CB 4.42Å; K880-D882 IonicContact NZ-OD2 2.7Å; K880-D882 PolarHBondContact NZ-OD2 3.03Å; K880-D882 PolarHBondContact O-N 3.45Å; K880-D882 VanDerWaalsContact O-N 3.07Å; D882-R932 WeakPolarHBondContact OD1-CB 3.41Å; D882-R932 WeakPolarHBondContact OD1-CD 3.5Å; D882-R932 IonicContact OD1-CZ 2.84Å; D882-R932 IonicContact OD1-NE 2.59Å; D882-R932 PolarHBondContact OD1-NE 3.41Å; D882-R932 VanDerWaalsContact OD1-NE 3.17Å; D882-R932 IonicContact OD1-NH1 3.82Å; D882-R932 PolarHBondContact OD1-NH1 3.39Å
883	F	98.4	Very high	97.2	Very high	6 Å²	6	26 Å²	26	3%	0.026	15%	0.146	C	C	.	.			trans	56.5	-153	-175.3	-62.9	-100.5	0	0	0	114.1	W811 N813 Y815 W846 E885 S933	W811-F883 HydrophobicContact CZ2-CD2 4.03Å; W811-F883 AromaticContact CZ2-CE2 3.91Å; W811-F883 HydrophobicContact CZ2-CE2 3.91Å; N813-F883 HydrophobicContact CB-CB 4.24Å; N813-F883 HydrophobicContact CB-CD2 3.89Å; N813-F883 HydrophobicContact CB-CG 4.41Å; Y815-F883 HydrophobicContact CD2-CB 4.2Å; Y815-F883 HydrophobicContact CD2-CD1 4.29Å; Y815-F883 HydrophobicContact CD2-CG 4.28Å; Y815-F883 HydrophobicContact CE2-CB 3.54Å; Y815-F883 AromaticContact CE2-CD1 3.69Å; Y815-F883 HydrophobicContact CE2-CD1 3.69Å; Y815-F883 AromaticContact CE2-CG 3.83Å; Y815-F883 HydrophobicContact CE2-CG 3.83Å; W846-F883 HydrophobicContact CB-CE1 4.5Å; W846-F883 AromaticContact CD2-CE1 3.94Å; W846-F883 HydrophobicContact CD2-CE1 3.94Å; W846-F883 AromaticContact CD2-CE2 3.99Å; W846-F883 HydrophobicContact CD2-CE2 3.99Å; W846-F883 AromaticContact CD2-CZ 3.39Å; W846-F883 HydrophobicContact CD2-CZ 3.39Å; W846-F883 AromaticContact CE2-CE2 3.65Å; W846-F883 AromaticContact CE2-CZ 3.59Å; W846-F883 HydrophobicContact CE3-CE1 4.07Å; W846-F883 HydrophobicContact CE3-CE2 4.19Å; W846-F883 AromaticContact CE3-CZ 3.37Å; W846-F883 HydrophobicContact CE3-CZ 3.37Å; W846-F883 HydrophobicContact CG-CE1 4.13Å; W846-F883 HydrophobicContact CG-CZ 4.04Å; W846-F883 AromaticContact CH2-CE2 3.76Å; W846-F883 HydrophobicContact CH2-CE2 3.76Å; W846-F883 AromaticContact CH2-CZ 3.73Å; W846-F883 HydrophobicContact CH2-CZ 3.73Å; W846-F883 AromaticContact CZ2-CE2 3.56Å; W846-F883 HydrophobicContact CZ2-CE2 3.56Å; W846-F883 AromaticContact CZ2-CZ 3.77Å; W846-F883 HydrophobicContact CZ2-CZ 3.77Å; W846-F883 HydrophobicContact CZ3-CE2 4.08Å; W846-F883 AromaticContact CZ3-CZ 3.54Å; W846-F883 HydrophobicContact CZ3-CZ 3.54Å; F883-E885 VanDerWaalsContact C-OE2 3.31Å; F883-E885 WeakPolarHBondContact CA-OE1 3.47Å; F883-E885 WeakPolarHBondContact CA-OE2 3.45Å; F883-S933 VanDerWaalsContact O-CB 3.25Å; F883-S933 WeakPolarHBondContact O-CB 3.41Å
884	G	97.9	Very high	97.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.139	C	C	.	.			trans	101.6	0.3	-175.6	0	0	0	0	0	114.3	Y815 I887	Y815-G884 PolarHBondContact OH-N 3.21Å; G884-I887 WeakPolarHBondContact O-CG1 3.46Å
885	E	98	Very high	97.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.145	C	C	.	.			trans	-92.1	-42.8	-174.5	-45.9	78.6	-174	0	0	113.3	N649 Y660 F883 I887 H903 R932	N649-E885 HydrophobicContact CB-CB 4Å; N649-E885 HydrophobicContact CB-CG 4.48Å; Y660-E885 HydrophobicContact CD1-CG 4.02Å; F883-E885 VanDerWaalsContact C-OE2 3.31Å; F883-E885 WeakPolarHBondContact CA-OE1 3.47Å; F883-E885 WeakPolarHBondContact CA-OE2 3.45Å; E885-I887 PolarHBondContact O-N 2.81Å; E885-H903 PolarHBondContact O-CE1 3.39Å; E885-R932 IonicContact OE1-CZ 3.67Å; E885-R932 IonicContact OE1-NE 2.73Å; E885-R932 PolarHBondContact OE1-NE 3.09Å; E885-R932 IonicContact OE1-NH2 2.94Å; E885-R932 PolarHBondContact OE1-NH2 3.25Å; E885-R932 IonicContact OE2-CZ 3.88Å; E885-R932 IonicContact OE2-NE 2.67Å; E885-R932 IonicContact OE2-NH2 3.65Å; E885-R932 PolarHBondContact OE2-NH2 3.21Å
886	R	95.2	Very high	97.2	Very high	76 Å²	76	29.7 Å²	29.7	29%	0.287	15%	0.154	S	C	.	.			trans	-83.8	54.5	-169.6	-75.4	-170.6	-179.6	133.4	6.5	112.9	D651 Y815 W843	D651-R886 HydrophobicContact CB-CG 4.14Å; D651-R886 PolarHBondContact O-NH2 3.23Å; D651-R886 IonicContact OD1-NH2 3.91Å; D651-R886 IonicContact OD2-CZ 3.38Å; D651-R886 IonicContact OD2-NE 3.7Å; D651-R886 IonicContact OD2-NH1 2.6Å; D651-R886 PolarHBondContact OD2-NH1 2.95Å; D651-R886 IonicContact OD2-NH2 2.77Å; D651-R886 PolarHBondContact OD2-NH2 3.21Å; Y815-R886 PolarHBondContact OH-N 2.98Å; W843-R886 HydrophobicContact CH2-CB 3.86Å; W843-R886 HydrophobicContact CH2-CG 4.42Å; W843-R886 HydrophobicContact CZ2-CB 3.98Å
887	I	97.8	Very high	97.1	Very high	6 Å²	6	30.2 Å²	30.2	3%	0.031	16%	0.159	C	C	.	.			trans	-85.9	124.8	-176.7	-55.5	-55.1	0	0	0	110.4	Y815 I852 G884 E885 W893 H903 Y906	Y815-I887 HydrophobicContact CE1-CD1 3.99Å; I852-I887 HydrophobicContact CD1-CD1 4.11Å; I852-I887 HydrophobicContact CG2-CD1 4.41Å; G884-I887 WeakPolarHBondContact O-CG1 3.46Å; E885-I887 PolarHBondContact O-N 2.81Å; I887-W893 HydrophobicContact CG2-CH2 3.85Å; I887-W893 HydrophobicContact CG2-CZ2 3.57Å; I887-H903 PolarHBondContact O-ND1 2.91Å; I887-Y906 HydrophobicContact CD1-CD1 3.42Å; I887-Y906 VanDerWaalsContact CD1-CD1 3.42Å; I887-Y906 HydrophobicContact CD1-CD2 4.37Å; I887-Y906 HydrophobicContact CD1-CE1 3.64Å; I887-Y906 HydrophobicContact CD1-CG 3.81Å; I887-Y906 HydrophobicContact CG1-CD1 3.75Å; I887-Y906 HydrophobicContact CG1-CE1 4.46Å; I887-Y906 HydrophobicContact CG1-CG 3.84Å; I887-Y906 HydrophobicContact CG2-CG 4.47Å
888	P	90.8	Very high	97.1	Very high	12 Å²	12	31.7 Å²	31.7	8%	0.078	17%	0.166	C	C	.	.			trans	-74.6	158.3	-176.3	31.9	-38.4	0	0	0	113	L833 W841 I852 D890 V891	L833-P888 HydrophobicContact CD2-CG 3.71Å; W841-P888 HydrophobicContact CD2-CB 4.14Å; W841-P888 HydrophobicContact CD2-CG 3.7Å; W841-P888 VanDerWaalsContact CE2-CG 3.48Å; W841-P888 HydrophobicContact CE3-CG 4.19Å; W841-P888 HydrophobicContact CG-CB 4.44Å; W841-P888 HydrophobicContact CG-CG 4.01Å; W841-P888 HydrophobicContact CH2-CB 4.37Å; W841-P888 HydrophobicContact CH2-CG 4.2Å; W841-P888 HydrophobicContact CZ2-CB 3.55Å; W841-P888 HydrophobicContact CZ2-CG 3.77Å; W841-P888 HydrophobicContact CZ3-CG 4.43Å; W841-P888 VanDerWaalsContact NE1-CB 3.27Å; I852-P888 VanDerWaalsContact CD1-CD 3.43Å; I852-P888 HydrophobicContact CD1-CG 4.17Å; P888-D890 WeakPolarHBondContact CB-OD1 3.24Å; P888-V891 HydrophobicContact CB-CG1 3.96Å; P888-V891 HydrophobicContact CG-CG1 3.53Å; P888-V891 HydrophobicContact CG-CG2 4.34Å; P888-V891 WeakPolarHBondContact O-CG2 3.32Å
889	T	91	Very high	96.9	Very high	42 Å²	42	33 Å²	33	26%	0.258	18%	0.175	S	C	.	.	S	Bend	trans	-110.6	-10.4	175	57.3	0	0	0	0	113.2	W648 V891 P899	W648-T889 HydrophobicContact CH2-CG2 3.74Å; W648-T889 HydrophobicContact CZ2-CG2 3.89Å; T889-V891 PolarHBondContact O-N 3.1Å; T889-V891 VanDerWaalsContact O-N 3.13Å; T889-P899 WeakPolarHBondContact O-CB 3.47Å
890	D	92.3	Very high	96.8	Very high	79 Å²	79	36.5 Å²	36.5	42%	0.422	19%	0.191	S	C	.	.	S	Bend	trans	-86.4	45	176	65.4	-40.3	0	0	0	112.3	R835 W841 P888	R835-D890 IonicContact CZ-OD2 3.58Å; R835-D890 IonicContact NH1-OD2 3.15Å; R835-D890 PolarHBondContact NH1-OD2 3.23Å; W841-D890 PolarHBondContact NE1-OD1 3.37Å; P888-D890 WeakPolarHBondContact CB-OD1 3.24Å
891	V	96.4	Very high	96.7	Very high	9 Å²	9	36.6 Å²	36.6	6%	0.055	19%	0.191	C	C	.	.	S	Bend	trans	-135.9	167.1	-169.9	-66.5	0	0	0	0	111.6	L833 K834 W841 P888 T889 P899	L833-V891 HydrophobicContact CD1-CB 4.07Å; L833-V891 HydrophobicContact CD1-CG2 4.19Å; L833-V891 HydrophobicContact CD2-CB 4.21Å; L833-V891 HydrophobicContact CD2-CG1 3.88Å; L833-V891 HydrophobicContact CD2-CG2 4.18Å; L833-V891 HydrophobicContact CG-CB 4.06Å; L833-V891 HydrophobicContact CG-CG1 3.97Å; L833-V891 HydrophobicContact CG-CG2 4.42Å; K834-V891 WeakPolarHBondContact O-CA 3.31Å; K834-V891 VanDerWaalsContact O-CB 3.31Å; K834-V891 WeakPolarHBondContact O-CB 3.49Å; W841-V891 HydrophobicContact CB-CG1 3.83Å; W841-V891 VanDerWaalsContact CD1-CG1 3.41Å; W841-V891 HydrophobicContact CG-CG1 3.72Å; P888-V891 HydrophobicContact CB-CG1 3.96Å; P888-V891 HydrophobicContact CG-CG1 3.53Å; P888-V891 HydrophobicContact CG-CG2 4.34Å; P888-V891 WeakPolarHBondContact O-CG2 3.32Å; T889-V891 PolarHBondContact O-N 3.1Å; T889-V891 VanDerWaalsContact O-N 3.13Å; V891-P899 HydrophobicContact CG2-CB 4.23Å; V891-P899 WeakPolarHBondContact O-CG 3.44Å
892	Q	97.7	Very high	96.7	Very high	116 Å²	116	36.6 Å²	36.6	54%	0.542	19%	0.192	S	C	.	.	B	Isolated β-bridge	trans	-124.4	115.3	168.8	-177.5	174.8	-30.6	0	0	108.6	K834	K834-Q892 PolarHBondContact O-N 3.33Å
893	W	98.7	Very high	96.7	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.008	19%	0.191	C	C	.	.			trans	-69.4	149	174.3	-64.9	99.4	0	0	0	110.7	L833 T856 I887 D895 G896 M902 Y906	L833-W893 HydrophobicContact CD1-CD2 3.82Å; L833-W893 HydrophobicContact CD1-CE3 3.58Å; L833-W893 HydrophobicContact CD1-CH2 4.06Å; L833-W893 HydrophobicContact CD1-CZ2 4.27Å; L833-W893 HydrophobicContact CD1-CZ3 3.72Å; L833-W893 HydrophobicContact CD2-CH2 4.02Å; L833-W893 HydrophobicContact CD2-CZ2 4.27Å; L833-W893 HydrophobicContact CD2-CZ3 4.39Å; T856-W893 HydrophobicContact CG2-CB 4.17Å; T856-W893 HydrophobicContact CG2-CD2 4.12Å; T856-W893 HydrophobicContact CG2-CE3 3.64Å; T856-W893 HydrophobicContact CG2-CG 4.35Å; T856-W893 HydrophobicContact CG2-CZ3 4.4Å; I887-W893 HydrophobicContact CG2-CH2 3.85Å; I887-W893 HydrophobicContact CG2-CZ2 3.57Å; W893-D895 VanDerWaalsContact C-N 3.26Å; W893-D895 WeakPolarHBondContact CB-OD1 3.4Å; W893-D895 PolarHBondContact O-N 2.87Å; W893-G896 PolarHBondContact O-N 3.46Å; W893-M902 HydrophobicContact CD2-CB 4.3Å; W893-M902 HydrophobicContact CD2-CE 3.95Å; W893-M902 HydrophobicContact CD2-CG 4.03Å; W893-M902 VanDerWaalsContact CE2-CB 3.47Å; W893-M902 HydrophobicContact CE3-CE 3.8Å; W893-M902 HydrophobicContact CG-CG 4.13Å; W893-M902 HydrophobicContact CH2-CE 3.65Å; W893-M902 HydrophobicContact CZ2-CB 3.7Å; W893-M902 HydrophobicContact CZ2-CE 3.77Å; W893-M902 HydrophobicContact CZ2-CG 4.26Å; W893-M902 HydrophobicContact CZ3-CE 3.65Å; W893-M902 VanDerWaalsContact NE1-CB 3.27Å; W893-Y906 AromaticContact CH2-CD2 3.42Å; W893-Y906 HydrophobicContact CH2-CD2 3.42Å; W893-Y906 VanDerWaalsContact CH2-CD2 3.42Å; W893-Y906 AromaticContact CH2-CE2 3.76Å; W893-Y906 HydrophobicContact CH2-CE2 3.76Å; W893-Y906 HydrophobicContact CH2-CG 4.42Å; W893-Y906 HydrophobicContact CZ2-CD2 4.43Å; W893-Y906 AromaticContact CZ3-CD2 3.82Å; W893-Y906 HydrophobicContact CZ3-CD2 3.82Å; W893-Y906 AromaticContact CZ3-CE2 3.87Å; W893-Y906 HydrophobicContact CZ3-CE2 3.87Å
894	F	98.7	Very high	96.7	Very high	124 Å²	124	36.4 Å²	36.4	54%	0.544	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-40.2	178.6	-178.3	-90.6	0	0	0	113.1	D854 T856 N857 G896	D854-F894 WeakPolarHBondContact OD2-CB 3.36Å; D854-F894 PolarHBondContact OD2-N 3.14Å; T856-F894 WeakPolarHBondContact OG1-CB 3.35Å; T856-F894 PolarHBondContact OG1-N 3.04Å; T856-F894 VanDerWaalsContact OG1-N 3.08Å; N857-F894 HydrophobicContact CB-CB 3.79Å; N857-F894 HydrophobicContact CB-CD1 3.98Å; N857-F894 HydrophobicContact CB-CD2 3.98Å; N857-F894 HydrophobicContact CB-CG 3.64Å; F894-G896 VanDerWaalsContact C-N 3.33Å
895	D	98.3	Very high	96.8	Very high	87 Å²	87	37 Å²	37	47%	0.465	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-4.5	178.9	73.1	-14.6	0	0	0	114.5	T856 W893 S897	T856-D895 PolarHBondContact OG1-N 3.37Å; W893-D895 VanDerWaalsContact C-N 3.26Å; W893-D895 WeakPolarHBondContact CB-OD1 3.4Å; W893-D895 PolarHBondContact O-N 2.87Å; D895-S897 VanDerWaalsContact C-N 3.34Å; D895-S897 WeakPolarHBondContact OD1-CB 3.37Å; D895-S897 PolarHBondContact OD1-N 3.41Å; D895-S897 PolarHBondContact OD1-OG 3.33Å; D895-S897 VanDerWaalsContact OD1-OG 3.05Å; D895-S897 PolarHBondContact OD2-OG 3.44Å
896	G	97.7	Very high	96.8	Very high	38 Å²	38	37 Å²	37	39%	0.392	19%	0.193	S	C	.	.			trans	76.8	15	-175.7	0	0	0	0	0	115.2	W893 F894	W893-G896 PolarHBondContact O-N 3.46Å; F894-G896 VanDerWaalsContact C-N 3.33Å
897	S	98.3	Very high	97	Very high	13 Å²	13	33.3 Å²	33.3	9%	0.091	18%	0.18	C	C	.	.			trans	-54.9	152.1	175.7	-85.2	0	0	0	0	113.1	D895 P899	D895-S897 VanDerWaalsContact C-N 3.34Å; D895-S897 WeakPolarHBondContact OD1-CB 3.37Å; D895-S897 PolarHBondContact OD1-N 3.41Å; D895-S897 PolarHBondContact OD1-OG 3.33Å; D895-S897 VanDerWaalsContact OD1-OG 3.05Å; D895-S897 PolarHBondContact OD2-OG 3.44Å; S897-P899 VanDerWaalsContact O-CD 3.24Å; S897-P899 WeakPolarHBondContact O-CD 3.41Å
898	D	97.1	Very high	97	Very high	45 Å²	45	33.6 Å²	33.6	24%	0.241	18%	0.18	C	C	.	.			trans	-64.6	116.4	174.3	179.2	-5.7	0	0	0	110.2	N544 G545 Q900 K901 M902	N544-D898 HydrophobicContact CB-CB 4.49Å; G545-D898 WeakPolarHBondContact O-CB 3.41Å; G545-D898 PolarHBondContact O-N 3.05Å; D898-Q900 PolarHBondContact O-N 2.9Å; D898-Q900 WeakPolarHBondContact OD1-CB 3.4Å; D898-Q900 PolarHBondContact OD1-N 3.48Å; D898-K901 HydrophobicContact CB-CB 4.19Å; D898-K901 HydrophobicContact CB-CD 4.12Å; D898-K901 HydrophobicContact CB-CG 4.16Å; D898-K901 PolarHBondContact O-N 2.85Å; D898-K901 VanDerWaalsContact O-N 3.11Å; D898-M902 PolarHBondContact O-N 3.48Å
899	P	96.7	Very high	97.4	Very high	29 Å²	29	34.6 Å²	34.6	19%	0.188	19%	0.185	C	C	.	.	H	α-helix	trans	-60.1	-28.6	179.6	-22.8	34.3	0	0	0	113.8	T889 V891 S897 H903	T889-P899 WeakPolarHBondContact O-CB 3.47Å; V891-P899 HydrophobicContact CG2-CB 4.23Å; V891-P899 WeakPolarHBondContact O-CG 3.44Å; S897-P899 VanDerWaalsContact O-CD 3.24Å; S897-P899 WeakPolarHBondContact O-CD 3.41Å; P899-H903 PolarHBondContact O-N 3.09Å
900	Q	95.2	Very high	97.8	Very high	74 Å²	74	32.6 Å²	32.6	35%	0.346	17%	0.172	S	C	.	.	H	α-helix	trans	-66.9	-39.1	177.6	-59	-59.9	-30.1	0	0	111.4	W648 Q680 D898	W648-Q900 WeakPolarHBondContact CZ3-O 3.37Å; Q680-Q900 WeakPolarHBondContact CA-O 3.49Å; Q680-Q900 HydrophobicContact CB-CB 3.97Å; D898-Q900 PolarHBondContact O-N 2.9Å; D898-Q900 WeakPolarHBondContact OD1-CB 3.4Å; D898-Q900 PolarHBondContact OD1-N 3.48Å
901	K	98.3	Very high	98.1	Very high	5 Å²	5	28.9 Å²	28.9	2%	0.022	15%	0.152	C	C	.	.	H	α-helix	trans	-77.1	-40.2	177.7	-68	-178.7	-167.6	174.8	0	111.9	N543 N544 P546 P679 Q680 D898 H903 H905	N543-K901 PolarHBondContact OD1-NZ 3.03Å; N544-K901 PolarHBondContact O-NZ 3.15Å; P546-K901 HydrophobicContact CG-CB 4.12Å; P546-K901 WeakPolarHBondContact O-CD 3.46Å; P679-K901 HydrophobicContact CB-CB 3.9Å; P679-K901 HydrophobicContact CB-CG 4.17Å; Q680-K901 HydrophobicContact CB-CG 4.16Å; D898-K901 HydrophobicContact CB-CB 4.19Å; D898-K901 HydrophobicContact CB-CD 4.12Å; D898-K901 HydrophobicContact CB-CG 4.16Å; D898-K901 PolarHBondContact O-N 2.85Å; D898-K901 VanDerWaalsContact O-N 3.11Å; K901-H903 PolarHBondContact O-N 3.31Å; K901-H905 WeakPolarHBondContact O-CB 3.11Å; K901-H905 PolarHBondContact O-N 3.38Å
902	M	98.5	Very high	98.2	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-62.8	-27.7	178.3	-89.5	-59.8	-65.3	0	0	113.3	P546 T856 W893 D898 N904 H905 Y906 I909	P546-M902 HydrophobicContact CG-CG 4.02Å; P546-M902 HydrophobicContact CG-SD 3.67Å; T856-M902 HydrophobicContact CG2-CE 3.72Å; T856-M902 HydrophobicContact CG2-SD 4.13Å; W893-M902 HydrophobicContact CD2-CB 4.3Å; W893-M902 HydrophobicContact CD2-CE 3.95Å; W893-M902 HydrophobicContact CD2-CG 4.03Å; W893-M902 VanDerWaalsContact CE2-CB 3.47Å; W893-M902 HydrophobicContact CE3-CE 3.8Å; W893-M902 HydrophobicContact CG-CG 4.13Å; W893-M902 HydrophobicContact CH2-CE 3.65Å; W893-M902 HydrophobicContact CZ2-CB 3.7Å; W893-M902 HydrophobicContact CZ2-CE 3.77Å; W893-M902 HydrophobicContact CZ2-CG 4.26Å; W893-M902 HydrophobicContact CZ3-CE 3.65Å; W893-M902 VanDerWaalsContact NE1-CB 3.27Å; D898-M902 PolarHBondContact O-N 3.48Å; M902-N904 PolarHBondContact O-N 2.96Å; M902-H905 PolarHBondContact O-N 3.04Å; M902-Y906 HydrophobicContact CE-CD2 3.83Å; M902-Y906 WeakPolarHBondContact O-CB 3.43Å; M902-Y906 PolarHBondContact O-N 3.5Å; M902-I909 HydrophobicContact CE-CD1 4.1Å; M902-I909 HydrophobicContact SD-CD1 3.99Å
903	H	98.3	Very high	98.3	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.019	14%	0.142	C	C	.	.	H	α-helix	trans	-50.8	-53.9	179.4	172.3	84.2	0	0	0	113.2	W648 N649 E885 I887 P899 K901	W648-H903 AromaticContact CD1-CE1 3.76Å; W648-H903 AromaticContact CD1-NE2 3.31Å; W648-H903 VanDerWaalsContact CD1-NE2 3.31Å; W648-H903 AromaticContact CD2-CD2 3.17Å; W648-H903 AromaticContact CD2-CG 3.83Å; W648-H903 AromaticContact CD2-NE2 3.33Å; W648-H903 VanDerWaalsContact CD2-NE2 3.33Å; W648-H903 AromaticContact CE2-CD2 3.18Å; W648-H903 AromaticContact CE2-CE1 3.36Å; W648-H903 AromaticContact CE2-CG 3.39Å; W648-H903 AromaticContact CE2-ND1 3.48Å; W648-H903 AromaticContact CE2-NE2 3.17Å; W648-H903 HydrophobicContact CE3-CB 4.34Å; W648-H903 AromaticContact CE3-CD2 3.31Å; W648-H903 AromaticContact CE3-CG 3.9Å; W648-H903 AromaticContact CE3-NE2 3.98Å; W648-H903 AromaticContact CG-CD2 3.82Å; W648-H903 AromaticContact CG-NE2 3.5Å; W648-H903 HydrophobicContact CH2-CB 3.19Å; W648-H903 AromaticContact CH2-CD2 3.57Å; W648-H903 AromaticContact CH2-CG 3.22Å; W648-H903 AromaticContact CH2-ND1 3.88Å; W648-H903 HydrophobicContact CZ2-CB 3.6Å; W648-H903 AromaticContact CZ2-CD2 3.41Å; W648-H903 VanDerWaalsContact CZ2-CD2 3.41Å; W648-H903 WeakPolarHBondContact CZ2-CD2 3.49Å; W648-H903 AromaticContact CZ2-CE1 3.68Å; W648-H903 AromaticContact CZ2-CG 3.09Å; W648-H903 AromaticContact CZ2-ND1 3.26Å; W648-H903 VanDerWaalsContact CZ2-ND1 3.26Å; W648-H903 WeakPolarHBondContact CZ2-ND1 3.41Å; W648-H903 AromaticContact CZ2-NE2 3.77Å; W648-H903 HydrophobicContact CZ3-CB 3.6Å; W648-H903 AromaticContact CZ3-CD2 3.51Å; W648-H903 AromaticContact CZ3-CG 3.62Å; W648-H903 AromaticContact NE1-CD2 3.7Å; W648-H903 AromaticContact NE1-CE1 3.18Å; W648-H903 PolarHBondContact NE1-CE1 3.01Å; W648-H903 AromaticContact NE1-ND1 3.73Å; W648-H903 AromaticContact NE1-NE2 3.14Å; W648-H903 PolarHBondContact NE1-NE2 3.09Å; W648-H903 VanDerWaalsContact NE1-NE2 3.14Å; N649-H903 PolarHBondContact N-NE2 3.47Å; N649-H903 PolarHBondContact O-CE1 3.4Å; N649-H903 VanDerWaalsContact O-CE1 3.26Å; N649-H903 PolarHBondContact O-NE2 3.11Å; E885-H903 PolarHBondContact O-CE1 3.39Å; I887-H903 PolarHBondContact O-ND1 2.91Å; P899-H903 PolarHBondContact O-N 3.09Å; K901-H903 PolarHBondContact O-N 3.31Å
904	N	98.3	Very high	98.3	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.011	14%	0.142	C	C	.	.	H	α-helix	trans	-79.5	-42.6	177.1	-71.7	-39.1	0	0	0	111.2	T647 W648 N649 P679 M902 Y906 A907 S935	T647-N904 PolarHBondContact O-ND2 2.93Å; W648-N904 WeakPolarHBondContact CA-OD1 3.23Å; N649-N904 PolarHBondContact N-OD1 3.39Å; P679-N904 WeakPolarHBondContact O-CB 3.45Å; P679-N904 PolarHBondContact O-ND2 3.06Å; M902-N904 PolarHBondContact O-N 2.96Å; N904-Y906 PolarHBondContact O-N 2.99Å; N904-A907 PolarHBondContact O-N 3.17Å; N904-S935 WeakPolarHBondContact O-CB 3.39Å
905	H	98.8	Very high	98.3	Very high	12 Å²	12	21 Å²	21	6%	0.056	12%	0.117	C	C	.	.	H	α-helix	trans	-69.4	-20	-172.2	-164.2	71.5	0	0	0	113.5	P546 K901 M902 A907 Y908 I909	P546-H905 HydrophobicContact CB-CB 4.37Å; P546-H905 WeakPolarHBondContact CB-CD2 3.43Å; P546-H905 HydrophobicContact CG-CB 3.69Å; K901-H905 WeakPolarHBondContact O-CB 3.11Å; K901-H905 PolarHBondContact O-N 3.38Å; M902-H905 PolarHBondContact O-N 3.04Å; H905-A907 PolarHBondContact O-N 3.46Å; H905-Y908 AromaticContact CE1-CD1 3.43Å; H905-Y908 VanDerWaalsContact CE1-CD1 3.43Å; H905-Y908 WeakPolarHBondContact CE1-CD1 3.48Å; H905-Y908 AromaticContact CE1-CG 3.78Å; H905-Y908 AromaticContact NE2-CD1 3.57Å; H905-Y908 WeakPolarHBondContact O-CA 3.37Å; H905-Y908 VanDerWaalsContact O-CB 3.29Å; H905-Y908 WeakPolarHBondContact O-CB 3.38Å; H905-Y908 PolarHBondContact O-N 3.46Å; H905-I909 PolarHBondContact O-N 3.48Å; H905-I909 VanDerWaalsContact O-N 3.14Å
906	Y	98.9	Very high	98.3	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-54.9	-39	172.8	-174.3	-89.9	0	0	0	112.3	P814 I852 Y853 F855 I887 W893 M902 N904 Y908 I909 Y910	P814-Y906 HydrophobicContact CB-CE1 3.75Å; P814-Y906 WeakPolarHBondContact CB-OH 3.4Å; P814-Y906 HydrophobicContact CG-CE1 3.8Å; P814-Y906 PolarHBondContact O-OH 3.43Å; I852-Y906 HydrophobicContact CG2-CE2 4.12Å; I852-Y906 VanDerWaalsContact CG2-OH 3.26Å; I852-Y906 WeakPolarHBondContact CG2-OH 3.44Å; Y853-Y906 PolarHBondContact O-OH 3.2Å; F855-Y906 HydrophobicContact CB-CE2 4.43Å; F855-Y906 HydrophobicContact CD2-CE1 4.21Å; F855-Y906 AromaticContact CD2-CE2 3.8Å; F855-Y906 HydrophobicContact CD2-CE2 3.8Å; F855-Y906 AromaticContact CD2-CZ 3.53Å; F855-Y906 WeakPolarHBondContact CD2-OH 3.27Å; F855-Y906 HydrophobicContact CE2-CE1 4.31Å; F855-Y906 AromaticContact CE2-CZ 3.83Å; F855-Y906 WeakPolarHBondContact CE2-OH 3.36Å; F855-Y906 HydrophobicContact CG-CE2 4.4Å; I887-Y906 HydrophobicContact CD1-CD1 3.42Å; I887-Y906 VanDerWaalsContact CD1-CD1 3.42Å; I887-Y906 HydrophobicContact CD1-CD2 4.37Å; I887-Y906 HydrophobicContact CD1-CE1 3.64Å; I887-Y906 HydrophobicContact CD1-CG 3.81Å; I887-Y906 HydrophobicContact CG1-CD1 3.75Å; I887-Y906 HydrophobicContact CG1-CE1 4.46Å; I887-Y906 HydrophobicContact CG1-CG 3.84Å; I887-Y906 HydrophobicContact CG2-CG 4.47Å; W893-Y906 AromaticContact CH2-CD2 3.42Å; W893-Y906 HydrophobicContact CH2-CD2 3.42Å; W893-Y906 VanDerWaalsContact CH2-CD2 3.42Å; W893-Y906 AromaticContact CH2-CE2 3.76Å; W893-Y906 HydrophobicContact CH2-CE2 3.76Å; W893-Y906 HydrophobicContact CH2-CG 4.42Å; W893-Y906 HydrophobicContact CZ2-CD2 4.43Å; W893-Y906 AromaticContact CZ3-CD2 3.82Å; W893-Y906 HydrophobicContact CZ3-CD2 3.82Å; W893-Y906 AromaticContact CZ3-CE2 3.87Å; W893-Y906 HydrophobicContact CZ3-CE2 3.87Å; M902-Y906 HydrophobicContact CE-CD2 3.83Å; M902-Y906 WeakPolarHBondContact O-CB 3.43Å; M902-Y906 PolarHBondContact O-N 3.5Å; N904-Y906 PolarHBondContact O-N 2.99Å; Y906-Y908 PolarHBondContact O-N 2.85Å; Y906-I909 PolarHBondContact O-N 3.17Å; Y906-Y910 VanDerWaalsContact O-CB 3.32Å; Y906-Y910 WeakPolarHBondContact O-CB 3.47Å; Y906-Y910 PolarHBondContact O-N 3.35Å
907	A	98.8	Very high	98.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62.7	-32.7	176.5	0	0	0	0	0	112.1	N904 H905 N911 S933	N904-A907 PolarHBondContact O-N 3.17Å; H905-A907 PolarHBondContact O-N 3.46Å; A907-N911 WeakPolarHBondContact O-CB 3.08Å; A907-N911 PolarHBondContact O-N 3.46Å; A907-N911 PolarHBondContact O-ND2 3.06Å; A907-S933 WeakPolarHBondContact CB-OG 3.46Å
908	Y	98.9	Very high	98.4	Very high	12 Å²	12	17.7 Å²	17.7	5%	0.047	9%	0.09	C	C	.	.	H	α-helix	trans	-66.3	-53.1	172.6	172.8	-88.2	0	0	0	110.8	P549 H905 Y906 Y910 N911 E912 A938 K940 F941	P549-Y908 HydrophobicContact CB-CE1 4.48Å; P549-Y908 HydrophobicContact CB-CE2 4.19Å; P549-Y908 HydrophobicContact CG-CD2 4.09Å; P549-Y908 HydrophobicContact CG-CE1 4.43Å; P549-Y908 HydrophobicContact CG-CE2 3.55Å; H905-Y908 AromaticContact CE1-CD1 3.43Å; H905-Y908 VanDerWaalsContact CE1-CD1 3.43Å; H905-Y908 WeakPolarHBondContact CE1-CD1 3.48Å; H905-Y908 AromaticContact CE1-CG 3.78Å; H905-Y908 AromaticContact NE2-CD1 3.57Å; H905-Y908 WeakPolarHBondContact O-CA 3.37Å; H905-Y908 VanDerWaalsContact O-CB 3.29Å; H905-Y908 WeakPolarHBondContact O-CB 3.38Å; H905-Y908 PolarHBondContact O-N 3.46Å; Y906-Y908 PolarHBondContact O-N 2.85Å; Y908-Y910 VanDerWaalsContact C-N 3.34Å; Y908-Y910 PolarHBondContact O-N 3.19Å; Y908-N911 PolarHBondContact O-N 3.35Å; Y908-E912 HydrophobicContact CE1-CB 4.38Å; Y908-E912 VanDerWaalsContact CE1-OE2 3.28Å; Y908-E912 WeakPolarHBondContact CE1-OE2 3.45Å; Y908-E912 VanDerWaalsContact O-CB 3.29Å; Y908-E912 WeakPolarHBondContact O-CB 3.26Å; Y908-E912 PolarHBondContact O-N 2.97Å; Y908-E912 PolarHBondContact OH-OE1 3.46Å; Y908-A938 HydrophobicContact CD2-CB 4.43Å; Y908-K940 PolarHBondContact OH-NZ 3.28Å; Y908-F941 AromaticContact CD2-CE2 3.93Å; Y908-F941 HydrophobicContact CD2-CE2 3.93Å; Y908-F941 AromaticContact CE2-CE2 3.6Å; Y908-F941 HydrophobicContact CE2-CE2 3.6Å; Y908-F941 AromaticContact CE2-CZ 3.93Å; Y908-F941 HydrophobicContact CE2-CZ 3.93Å
909	I	98.9	Very high	98.5	Very high	33 Å²	33	19.6 Å²	19.6	17%	0.169	10%	0.096	C	C	.	.	H	α-helix	trans	-60.8	-43.9	-177.4	-62.3	179.1	0	0	0	111.2	F855 M902 H905 Y906 E912 L913	F855-I909 HydrophobicContact CB-CG2 3.72Å; M902-I909 HydrophobicContact CE-CD1 4.1Å; M902-I909 HydrophobicContact SD-CD1 3.99Å; H905-I909 PolarHBondContact O-N 3.48Å; H905-I909 VanDerWaalsContact O-N 3.14Å; Y906-I909 PolarHBondContact O-N 3.17Å; I909-E912 PolarHBondContact O-N 3.15Å; I909-L913 WeakPolarHBondContact O-CB 3.43Å; I909-L913 PolarHBondContact O-N 3.47Å
910	Y	98.9	Very high	98.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-59.6	-51.2	178.6	169.5	-139.4	0	0	0	111.8	I812 N813 P814 F855 Y864 T881 Y906 Y908 L913 V914	I812-Y910 PolarHBondContact O-OH 2.95Å; N813-Y910 VanDerWaalsContact CA-OH 3.31Å; N813-Y910 WeakPolarHBondContact CA-OH 3.3Å; P814-Y910 HydrophobicContact CB-CD1 4.05Å; P814-Y910 HydrophobicContact CB-CD2 3.91Å; P814-Y910 HydrophobicContact CB-CE1 4.11Å; P814-Y910 HydrophobicContact CB-CE2 3.98Å; P814-Y910 HydrophobicContact CB-CG 3.95Å; P814-Y910 HydrophobicContact CG-CD1 3.88Å; P814-Y910 HydrophobicContact CG-CE1 3.83Å; P814-Y910 HydrophobicContact CG-CG 4.28Å; F855-Y910 AromaticContact CE2-CD2 3.58Å; F855-Y910 HydrophobicContact CE2-CD2 3.58Å; F855-Y910 HydrophobicContact CE2-CE2 4.48Å; F855-Y910 HydrophobicContact CE2-CG 4.02Å; F855-Y910 HydrophobicContact CZ-CD2 4.13Å; Y864-Y910 HydrophobicContact CE1-CE2 4.2Å; T881-Y910 WeakPolarHBondContact CA-OH 3.41Å; T881-Y910 HydrophobicContact CG2-CE1 4.31Å; T881-Y910 HydrophobicContact CG2-CE2 4.28Å; Y906-Y910 VanDerWaalsContact O-CB 3.32Å; Y906-Y910 WeakPolarHBondContact O-CB 3.47Å; Y906-Y910 PolarHBondContact O-N 3.35Å; Y908-Y910 VanDerWaalsContact C-N 3.34Å; Y908-Y910 PolarHBondContact O-N 3.19Å; Y910-L913 PolarHBondContact O-N 2.89Å; Y910-V914 HydrophobicContact CD2-CG2 3.98Å; Y910-V914 HydrophobicContact CE2-CG2 3.64Å; Y910-V914 WeakPolarHBondContact O-CG2 3.38Å; Y910-V914 PolarHBondContact O-N 3.09Å
911	N	98.9	Very high	98.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-69.2	-35.6	-179.5	-74.8	-75.2	0	0	0	112	T881 A907 Y908 V914 W915 L929 A931 S933 F941	T881-N911 VanDerWaalsContact CB-OD1 3.24Å; T881-N911 WeakPolarHBondContact CB-OD1 3.49Å; T881-N911 PolarHBondContact OG1-OD1 2.99Å; A907-N911 WeakPolarHBondContact O-CB 3.08Å; A907-N911 PolarHBondContact O-N 3.46Å; A907-N911 PolarHBondContact O-ND2 3.06Å; Y908-N911 PolarHBondContact O-N 3.35Å; N911-V914 PolarHBondContact O-N 2.82Å; N911-W915 VanDerWaalsContact O-CB 3.24Å; N911-W915 WeakPolarHBondContact O-CB 3.46Å; N911-W915 PolarHBondContact O-N 3.05Å; N911-L929 HydrophobicContact CB-CD1 4.28Å; N911-A931 WeakPolarHBondContact OD1-CB 3.19Å; N911-S933 PolarHBondContact ND2-O 2.87Å; N911-F941 HydrophobicContact CB-CB 4.39Å; N911-F941 HydrophobicContact CB-CD2 4Å
912	E	98.9	Very high	98.8	Very high	58 Å²	58	24.8 Å²	24.8	27%	0.271	13%	0.128	S	C	.	.	H	α-helix	trans	-61.5	-44.1	174.3	-177.4	171.5	-118.8	0	0	111.7	Y908 I909 V914 W915 N916 F941	Y908-E912 HydrophobicContact CE1-CB 4.38Å; Y908-E912 VanDerWaalsContact CE1-OE2 3.28Å; Y908-E912 WeakPolarHBondContact CE1-OE2 3.45Å; Y908-E912 VanDerWaalsContact O-CB 3.29Å; Y908-E912 WeakPolarHBondContact O-CB 3.26Å; Y908-E912 PolarHBondContact O-N 2.97Å; Y908-E912 PolarHBondContact OH-OE1 3.46Å; I909-E912 PolarHBondContact O-N 3.15Å; E912-V914 PolarHBondContact O-N 2.77Å; E912-W915 PolarHBondContact O-N 3.07Å; E912-N916 WeakPolarHBondContact O-CB 3.44Å; E912-N916 VanDerWaalsContact O-CG 3.24Å; E912-N916 PolarHBondContact O-N 3.25Å; E912-N916 PolarHBondContact O-ND2 3.38Å; E912-F941 HydrophobicContact CB-CD2 4.41Å; E912-F941 HydrophobicContact CB-CE1 4.31Å; E912-F941 HydrophobicContact CB-CE2 3.59Å; E912-F941 HydrophobicContact CB-CZ 3.53Å; E912-F941 HydrophobicContact CG-CE1 4.25Å; E912-F941 HydrophobicContact CG-CE2 4.25Å; E912-F941 HydrophobicContact CG-CZ 3.65Å
913	L	98.9	Very high	98.7	Very high	21 Å²	21	25.5 Å²	25.5	11%	0.11	14%	0.136	C	C	.	.	H	α-helix	trans	-59.1	-48.5	177.9	-177.6	156.3	0	0	0	111.3	F855 C861 Y864 A865 L868 I909 Y910 N916 V917	F855-L913 HydrophobicContact CD1-CD1 3.88Å; F855-L913 HydrophobicContact CE1-CD1 4.08Å; F855-L913 HydrophobicContact CG-CD1 4.38Å; C861-L913 HydrophobicContact CB-CD1 3.65Å; Y864-L913 HydrophobicContact CD1-CD2 3.67Å; Y864-L913 HydrophobicContact CE1-CD2 4.33Å; A865-L913 HydrophobicContact CB-CD2 4.31Å; L868-L913 HydrophobicContact CD1-CD2 4.08Å; I909-L913 WeakPolarHBondContact O-CB 3.43Å; I909-L913 PolarHBondContact O-N 3.47Å; Y910-L913 PolarHBondContact O-N 2.89Å; L913-N916 PolarHBondContact O-N 2.9Å; L913-V917 PolarHBondContact O-N 3.21Å; L913-V917 VanDerWaalsContact O-N 3.15Å
914	V	98.9	Very high	98.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-68.2	-40.7	-179	-177	0	0	0	0	110.8	I812 Y864 L868 F879 T881 Y910 N911 E912 N916 V917 L918 L929	I812-V914 HydrophobicContact CD1-CG1 3.91Å; I812-V914 HydrophobicContact CD1-CG2 3.84Å; Y864-V914 HydrophobicContact CE1-CG2 4.27Å; L868-V914 HydrophobicContact CD1-CB 4.28Å; L868-V914 HydrophobicContact CD1-CG1 4.14Å; L868-V914 HydrophobicContact CD1-CG2 3.9Å; F879-V914 HydrophobicContact CB-CG1 3.94Å; F879-V914 HydrophobicContact CD2-CG1 3.67Å; F879-V914 HydrophobicContact CG-CG1 4.06Å; T881-V914 HydrophobicContact CG2-CB 3.87Å; T881-V914 HydrophobicContact CG2-CG1 3.75Å; T881-V914 HydrophobicContact CG2-CG2 3.76Å; Y910-V914 HydrophobicContact CD2-CG2 3.98Å; Y910-V914 HydrophobicContact CE2-CG2 3.64Å; Y910-V914 WeakPolarHBondContact O-CG2 3.38Å; Y910-V914 PolarHBondContact O-N 3.09Å; N911-V914 PolarHBondContact O-N 2.82Å; E912-V914 PolarHBondContact O-N 2.77Å; V914-N916 PolarHBondContact O-N 3.48Å; V914-V917 PolarHBondContact O-N 3.46Å; V914-L918 PolarHBondContact O-N 2.95Å; V914-L929 HydrophobicContact CB-CD2 4.33Å; V914-L929 HydrophobicContact CG1-CD2 3.61Å
915	W	98.9	Very high	98.7	Very high	7 Å²	7	36 Å²	36	3%	0.027	19%	0.185	C	C	.	.	H	α-helix	trans	-58.2	-47.5	175	-178.7	-92.2	0	0	0	111.8	A728 N911 E912 V917 L918 K919 E924 A927 L929 F941 P942	A728-W915 HydrophobicContact CB-CH2 3.53Å; A728-W915 HydrophobicContact CB-CZ2 3.5Å; A728-W915 VanDerWaalsContact CB-CZ2 3.5Å; N911-W915 VanDerWaalsContact O-CB 3.24Å; N911-W915 WeakPolarHBondContact O-CB 3.46Å; N911-W915 PolarHBondContact O-N 3.05Å; E912-W915 PolarHBondContact O-N 3.07Å; W915-V917 VanDerWaalsContact C-N 3.27Å; W915-V917 PolarHBondContact O-N 2.73Å; W915-L918 PolarHBondContact O-N 3.36Å; W915-L918 VanDerWaalsContact O-N 3.09Å; W915-K919 PolarHBondContact O-N 3.05Å; W915-E924 HydrophobicContact CZ2-CG 4.35Å; W915-A927 HydrophobicContact CD2-CB 4.21Å; W915-A927 HydrophobicContact CE3-CB 4.14Å; W915-A927 HydrophobicContact CH2-CB 3.66Å; W915-A927 WeakPolarHBondContact CH2-O 3.5Å; W915-A927 HydrophobicContact CZ2-CB 3.75Å; W915-A927 HydrophobicContact CZ3-CB 3.87Å; W915-A927 WeakPolarHBondContact CZ3-O 3.32Å; W915-L929 HydrophobicContact CB-CD1 4.47Å; W915-L929 HydrophobicContact CE3-CD1 4.38Å; W915-L929 HydrophobicContact CE3-CG 4.19Å; W915-F941 HydrophobicContact CB-CB 4.17Å; W915-F941 HydrophobicContact CB-CD1 3.66Å; W915-F941 HydrophobicContact CB-CE1 4.33Å; W915-F941 HydrophobicContact CB-CG 4.06Å; W915-F941 AromaticContact CD1-CD1 3.7Å; W915-F941 HydrophobicContact CD2-CB 4.17Å; W915-F941 AromaticContact CD2-CD1 3.84Å; W915-F941 HydrophobicContact CD2-CD1 3.84Å; W915-F941 HydrophobicContact CD2-CG 4.46Å; W915-F941 HydrophobicContact CE3-CB 3.95Å; W915-F941 HydrophobicContact CE3-CD1 4.46Å; W915-F941 HydrophobicContact CG-CB 4.28Å; W915-F941 AromaticContact CG-CD1 3.42Å; W915-F941 HydrophobicContact CG-CD1 3.42Å; W915-F941 VanDerWaalsContact CG-CD1 3.42Å; W915-F941 HydrophobicContact CG-CE1 4.14Å; W915-F941 HydrophobicContact CG-CG 4.18Å; W915-P942 HydrophobicContact CH2-CG 4.38Å; W915-P942 HydrophobicContact CZ3-CG 4.33Å
916	N	98.9	Very high	98.7	Very high	65 Å²	65	38.1 Å²	38.1	35%	0.348	20%	0.195	S	C	.	.	H	α-helix	trans	-64.6	-32.6	-179.8	-72.1	-23	0	0	0	112.1	E912 L913 V914 K919 D920	E912-N916 WeakPolarHBondContact O-CB 3.44Å; E912-N916 VanDerWaalsContact O-CG 3.24Å; E912-N916 PolarHBondContact O-N 3.25Å; E912-N916 PolarHBondContact O-ND2 3.38Å; L913-N916 PolarHBondContact O-N 2.9Å; V914-N916 PolarHBondContact O-N 3.48Å; N916-K919 PolarHBondContact O-N 3.48Å; N916-D920 VanDerWaalsContact O-CB 3.3Å; N916-D920 WeakPolarHBondContact O-CB 3.48Å; N916-D920 PolarHBondContact O-N 3.48Å
917	V	98.9	Very high	98.7	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.024	20%	0.195	C	C	.	.	H	α-helix	trans	-61.1	-47	170.7	171.1	0	0	0	0	111.5	A865 L868 K869 L913 V914 W915 D920 T921	A865-V917 HydrophobicContact CB-CG2 3.6Å; L868-V917 HydrophobicContact CB-CB 4.39Å; L868-V917 HydrophobicContact CB-CG1 3.77Å; L868-V917 HydrophobicContact CB-CG2 4.34Å; L868-V917 HydrophobicContact CD1-CB 4.35Å; L868-V917 HydrophobicContact CD1-CG2 4.05Å; K869-V917 HydrophobicContact CG-CG1 3.79Å; L913-V917 PolarHBondContact O-N 3.21Å; L913-V917 VanDerWaalsContact O-N 3.15Å; V914-V917 PolarHBondContact O-N 3.46Å; W915-V917 VanDerWaalsContact C-N 3.27Å; W915-V917 PolarHBondContact O-N 2.73Å; V917-D920 PolarHBondContact O-N 3.37Å; V917-T921 HydrophobicContact CG1-CG2 4.45Å; V917-T921 WeakPolarHBondContact O-CB 3.48Å; V917-T921 WeakPolarHBondContact O-CG2 2.88Å; V917-T921 PolarHBondContact O-N 3.26Å; V917-T921 VanDerWaalsContact O-N 3.14Å; V917-T921 PolarHBondContact O-OG1 3.45Å
918	L	98.9	Very high	98.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.9	-47.2	178	-70.2	173.4	0	0	0	111	V872 D877 F879 V914 W915 D920 T921 V922 G923 A927 V928 L929	V872-L918 HydrophobicContact CG2-CD2 4.18Å; D877-L918 WeakPolarHBondContact O-CD2 3.27Å; F879-L918 HydrophobicContact CD2-CD1 4.22Å; F879-L918 HydrophobicContact CD2-CD2 3.98Å; F879-L918 HydrophobicContact CD2-CG 4.13Å; F879-L918 HydrophobicContact CE2-CD2 3.81Å; F879-L918 HydrophobicContact CE2-CG 4.26Å; V914-L918 PolarHBondContact O-N 2.95Å; W915-L918 PolarHBondContact O-N 3.36Å; W915-L918 VanDerWaalsContact O-N 3.09Å; L918-D920 VanDerWaalsContact C-N 3.29Å; L918-D920 PolarHBondContact O-N 3.16Å; L918-T921 PolarHBondContact O-N 3.4Å; L918-T921 PolarHBondContact O-OG1 2.96Å; L918-V922 HydrophobicContact CB-CG2 4.09Å; L918-V922 HydrophobicContact CD2-CG2 4.13Å; L918-V922 WeakPolarHBondContact O-CG2 3.41Å; L918-V922 PolarHBondContact O-N 3.35Å; L918-G923 PolarHBondContact O-N 3.05Å; L918-A927 HydrophobicContact CB-CB 3.81Å; L918-V928 WeakPolarHBondContact CD1-O 3.45Å; L918-L929 HydrophobicContact CD1-CD2 3.66Å
919	K	98.7	Very high	98.7	Very high	85 Å²	85	37.5 Å²	37.5	37%	0.37	19%	0.192	S	C	.	.	H	α-helix	trans	-53.6	-44.8	175.2	172.1	167.2	176.1	155.2	0	112.6	W915 N916 T921 G923 E924	W915-K919 PolarHBondContact O-N 3.05Å; N916-K919 PolarHBondContact O-N 3.48Å; K919-T921 VanDerWaalsContact C-N 3.28Å; K919-T921 PolarHBondContact O-N 2.88Å; K919-G923 WeakPolarHBondContact O-CA 3.19Å; K919-G923 PolarHBondContact O-N 3.46Å; K919-E924 HydrophobicContact CD-CB 4.27Å; K919-E924 HydrophobicContact CD-CG 4.38Å; K919-E924 VanDerWaalsContact CE-OE2 3.31Å; K919-E924 WeakPolarHBondContact CE-OE2 3.38Å; K919-E924 HydrophobicContact CG-CB 4.11Å; K919-E924 IonicContact NZ-OE1 3.41Å; K919-E924 IonicContact NZ-OE2 2.71Å; K919-E924 PolarHBondContact NZ-OE2 3.34Å
920	D	98.6	Very high	98.7	Very high	115 Å²	115	36 Å²	36	62%	0.615	19%	0.185	S	C	*	.	H	α-helix	trans	-76.9	-11.4	-178.2	-69.6	-13.5	0	0	0	113.9	N916 V917 L918	N916-D920 VanDerWaalsContact O-CB 3.3Å; N916-D920 WeakPolarHBondContact O-CB 3.48Å; N916-D920 PolarHBondContact O-N 3.48Å; V917-D920 PolarHBondContact O-N 3.37Å; L918-D920 VanDerWaalsContact C-N 3.29Å; L918-D920 PolarHBondContact O-N 3.16Å
921	T	98.7	Very high	98.7	Very high	57 Å²	57	36 Å²	36	35%	0.35	19%	0.185	S	C	.	.	H	α-helix	trans	-116.7	-56.5	-174.5	52.5	0	0	0	0	113.4	K869 V872 V917 L918 K919	K869-T921 HydrophobicContact CG-CG2 3.9Å; V872-T921 HydrophobicContact CG1-CG2 4.49Å; V917-T921 HydrophobicContact CG1-CG2 4.45Å; V917-T921 WeakPolarHBondContact O-CB 3.48Å; V917-T921 WeakPolarHBondContact O-CG2 2.88Å; V917-T921 PolarHBondContact O-N 3.26Å; V917-T921 VanDerWaalsContact O-N 3.14Å; V917-T921 PolarHBondContact O-OG1 3.45Å; L918-T921 PolarHBondContact O-N 3.4Å; L918-T921 PolarHBondContact O-OG1 2.96Å; K919-T921 VanDerWaalsContact C-N 3.28Å; K919-T921 PolarHBondContact O-N 2.88Å
922	V	98.4	Very high	98.7	Very high	44 Å²	44	36.1 Å²	36.1	27%	0.267	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-14.1	-179.1	-60.9	0	0	0	0	113.3	V872 L918 E926	V872-V922 HydrophobicContact CG1-CG1 3.68Å; L918-V922 HydrophobicContact CB-CG2 4.09Å; L918-V922 HydrophobicContact CD2-CG2 4.13Å; L918-V922 WeakPolarHBondContact O-CG2 3.41Å; L918-V922 PolarHBondContact O-N 3.35Å; V922-E926 HydrophobicContact CB-CB 4.02Å; V922-E926 HydrophobicContact CG2-CB 3.83Å
923	G	98.4	Very high	98.6	Very high	17 Å²	17	33.4 Å²	33.4	18%	0.175	17%	0.172	C	C	.	.			trans	99.1	153.9	-172.1	0	0	0	0	0	112.1	L918 K919 E925 E926 A927	L918-G923 PolarHBondContact O-N 3.05Å; K919-G923 WeakPolarHBondContact O-CA 3.19Å; K919-G923 PolarHBondContact O-N 3.46Å; G923-E925 VanDerWaalsContact C-N 3.3Å; G923-E925 PolarHBondContact O-N 3.48Å; G923-E926 PolarHBondContact O-N 3.13Å; G923-A927 PolarHBondContact O-N 2.6Å
924	E	98.3	Very high	98.6	Very high	90 Å²	90	32.4 Å²	32.4	42%	0.421	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-68	-33.6	-177.8	-175.3	166	-177.2	0	0	111.8	W915 K919 E926 A927	W915-E924 HydrophobicContact CZ2-CG 4.35Å; K919-E924 HydrophobicContact CD-CB 4.27Å; K919-E924 HydrophobicContact CD-CG 4.38Å; K919-E924 VanDerWaalsContact CE-OE2 3.31Å; K919-E924 WeakPolarHBondContact CE-OE2 3.38Å; K919-E924 HydrophobicContact CG-CB 4.11Å; K919-E924 IonicContact NZ-OE1 3.41Å; K919-E924 IonicContact NZ-OE2 2.71Å; K919-E924 PolarHBondContact NZ-OE2 3.34Å; E924-E926 PolarHBondContact O-N 3.27Å; E924-A927 WeakPolarHBondContact O-CB 3.16Å; E924-A927 PolarHBondContact O-N 3.01Å
925	E	97	Very high	98.6	Very high	135 Å²	135	32.4 Å²	32.4	63%	0.631	17%	0.167	S	C	*	.	G	3₁₀ helix	trans	-65.7	-23.4	176.7	65.9	-85.5	-153.7	0	0	113.6	P731 G923	P731-E925 WeakPolarHBondContact CB-O 3.25Å; G923-E925 VanDerWaalsContact C-N 3.3Å; G923-E925 PolarHBondContact O-N 3.48Å
926	E	98.6	Very high	98.6	Very high	57 Å²	57	32 Å²	32	27%	0.266	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-100.7	-5.8	176.4	-72.8	-67.7	114.5	0	0	112.6	W733 K807 V922 G923 E924 V928	W733-E926 PolarHBondContact NE1-OE1 3.34Å; W733-E926 PolarHBondContact NE1-OE2 3.18Å; K807-E926 IonicContact NZ-OE2 2.7Å; K807-E926 PolarHBondContact NZ-OE2 3.47Å; V922-E926 HydrophobicContact CB-CB 4.02Å; V922-E926 HydrophobicContact CG2-CB 3.83Å; G923-E926 PolarHBondContact O-N 3.13Å; E924-E926 PolarHBondContact O-N 3.27Å; E926-V928 PolarHBondContact O-N 3.11Å
927	A	98.8	Very high	98.6	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.			trans	-73.2	126.5	-176.8	0	0	0	0	0	111.5	W915 L918 G923 E924	W915-A927 HydrophobicContact CD2-CB 4.21Å; W915-A927 HydrophobicContact CE3-CB 4.14Å; W915-A927 HydrophobicContact CH2-CB 3.66Å; W915-A927 WeakPolarHBondContact CH2-O 3.5Å; W915-A927 HydrophobicContact CZ2-CB 3.75Å; W915-A927 HydrophobicContact CZ3-CB 3.87Å; W915-A927 WeakPolarHBondContact CZ3-O 3.32Å; L918-A927 HydrophobicContact CB-CB 3.81Å; G923-A927 PolarHBondContact O-N 2.6Å; E924-A927 WeakPolarHBondContact O-CB 3.16Å; E924-A927 PolarHBondContact O-N 3.01Å
928	V	98.9	Very high	98.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.148	C	C	.	.			trans	-153.3	144.5	172.3	67	0	0	0	0	110.7	P730 P731 W733 W738 C878 L918 E926 V943	P730-V928 HydrophobicContact CB-CG2 4.22Å; P731-V928 HydrophobicContact CG-CB 4.38Å; P731-V928 HydrophobicContact CG-CG1 4.32Å; W733-V928 HydrophobicContact CH2-CG1 3.18Å; W733-V928 HydrophobicContact CZ2-CG1 3.8Å; W733-V928 HydrophobicContact CZ3-CG1 3.86Å; W738-V928 HydrophobicContact CH2-CG1 4.49Å; C878-V928 HydrophobicContact CB-CG1 3.75Å; C878-V928 WeakPolarHBondContact CB-O 3.29Å; L918-V928 WeakPolarHBondContact CD1-O 3.45Å; E926-V928 PolarHBondContact O-N 3.11Å; V928-V943 HydrophobicContact CG2-CB 4.49Å; V928-V943 HydrophobicContact CG2-CG2 3.72Å
929	L	98.9	Very high	98.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-117	174	175.5	-57	-178.9	0	0	0	111.6	F879 T881 N911 V914 W915 L918 F941 P942 V943	F879-L929 HydrophobicContact CB-CD2 4.33Å; F879-L929 CarbonylContact O-C 3.53Å; F879-L929 WeakPolarHBondContact O-CA 3.38Å; T881-L929 HydrophobicContact CG2-CD1 4.2Å; T881-L929 HydrophobicContact CG2-CD2 4.19Å; N911-L929 HydrophobicContact CB-CD1 4.28Å; V914-L929 HydrophobicContact CB-CD2 4.33Å; V914-L929 HydrophobicContact CG1-CD2 3.61Å; W915-L929 HydrophobicContact CB-CD1 4.47Å; W915-L929 HydrophobicContact CE3-CD1 4.38Å; W915-L929 HydrophobicContact CE3-CG 4.19Å; L918-L929 HydrophobicContact CD1-CD2 3.66Å; L929-F941 HydrophobicContact CD1-CB 4.04Å; L929-P942 PolarHBondContact N-O 3.28Å; L929-V943 WeakPolarHBondContact O-CB 3.36Å; L929-V943 PolarHBondContact O-N 3.47Å
930	F	98.8	Very high	98.6	Very high	1 Å²	1	27.3 Å²	27.3	0%	0.004	14%	0.142	C	C	.	.			trans	-131.4	78.9	164.8	-127.3	-97.4	0	0	0	109.2	W738 F879 K880 T881 V943 W945 S975 R1004	W738-F930 HydrophobicContact CD2-CE2 4.05Å; W738-F930 HydrophobicContact CE3-CD2 4.11Å; W738-F930 HydrophobicContact CE3-CE2 4.04Å; W738-F930 AromaticContact CH2-CD2 3.89Å; W738-F930 HydrophobicContact CH2-CD2 3.89Å; W738-F930 HydrophobicContact CH2-CE2 4.24Å; W738-F930 HydrophobicContact CZ2-CD2 4.3Å; W738-F930 HydrophobicContact CZ2-CE2 4.24Å; W738-F930 AromaticContact CZ3-CD2 3.77Å; W738-F930 HydrophobicContact CZ3-CD2 3.77Å; W738-F930 HydrophobicContact CZ3-CE2 4.13Å; F879-F930 PolarHBondContact O-N 3.3Å; K880-F930 WeakPolarHBondContact CA-O 3.45Å; K880-F930 HydrophobicContact CB-CB 4.05Å; K880-F930 HydrophobicContact CG-CB 4.1Å; K880-F930 WeakPolarHBondContact CG-O 3.4Å; T881-F930 PolarHBondContact N-O 3.11Å; F930-V943 CarbonylContact C-O 3.59Å; F930-V943 WeakPolarHBondContact CA-O 3.46Å; F930-W945 HydrophobicContact CD1-CB 3.54Å; F930-W945 HydrophobicContact CD1-CG 4.09Å; F930-W945 HydrophobicContact CE1-CB 3.61Å; F930-W945 AromaticContact CE1-CG 4Å; F930-W945 HydrophobicContact CE1-CG 4Å; F930-S975 WeakPolarHBondContact CZ-OG 3.3Å; F930-R1004 HydrophobicContact CE1-CB 4.15Å; F930-R1004 HydrophobicContact CZ-CB 3.84Å; F930-R1004 HydrophobicContact CZ-CG 4.45Å
931	A	98.9	Very high	98.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-88.9	129.8	-165.6	0	0	0	0	0	113.5	K661 T881 N911 V943 H944 W945	K661-A931 WeakPolarHBondContact CE-O 3.45Å; T881-A931 WeakPolarHBondContact O-CA 3.41Å; T881-A931 VanDerWaalsContact OG1-CA 3.26Å; T881-A931 WeakPolarHBondContact OG1-CA 3.48Å; T881-A931 VanDerWaalsContact OG1-CB 3.31Å; T881-A931 WeakPolarHBondContact OG1-CB 3.26Å; N911-A931 WeakPolarHBondContact OD1-CB 3.19Å; A931-V943 PolarHBondContact N-O 3.28Å; A931-H944 WeakPolarHBondContact O-CA 3.39Å; A931-W945 PolarHBondContact O-N 3.43Å
932	R	98.8	Very high	98.7	Very high	3 Å²	3	19.5 Å²	19.5	1%	0.011	10%	0.098	C	C	.	.	S	Bend	trans	-87.9	-38.2	176.3	-164.5	176.1	69	-176.7	9.2	113.4	D651 Y660 K661 T881 D882 E885 W945 D948	D651-R932 IonicContact OD2-NH2 2.77Å; Y660-R932 WeakPolarHBondContact CB-O 3.35Å; Y660-R932 HydrophobicContact CD1-CG 3.94Å; Y660-R932 HydrophobicContact CE1-CG 4.31Å; Y660-R932 HydrophobicContact CG-CG 4.09Å; K661-R932 WeakPolarHBondContact CE-O 3.38Å; K661-R932 VanDerWaalsContact CG-O 3.27Å; K661-R932 WeakPolarHBondContact CG-O 3.48Å; K661-R932 PolarHBondContact NZ-O 3.49Å; T881-R932 PolarHBondContact O-N 3.34Å; T881-R932 VanDerWaalsContact O-N 3.1Å; D882-R932 WeakPolarHBondContact OD1-CB 3.41Å; D882-R932 WeakPolarHBondContact OD1-CD 3.5Å; D882-R932 IonicContact OD1-CZ 2.84Å; D882-R932 IonicContact OD1-NE 2.59Å; D882-R932 PolarHBondContact OD1-NE 3.41Å; D882-R932 VanDerWaalsContact OD1-NE 3.17Å; D882-R932 IonicContact OD1-NH1 3.82Å; D882-R932 PolarHBondContact OD1-NH1 3.39Å; E885-R932 IonicContact OE1-CZ 3.67Å; E885-R932 IonicContact OE1-NE 2.73Å; E885-R932 PolarHBondContact OE1-NE 3.09Å; E885-R932 IonicContact OE1-NH2 2.94Å; E885-R932 PolarHBondContact OE1-NH2 3.25Å; E885-R932 IonicContact OE2-CZ 3.88Å; E885-R932 IonicContact OE2-NE 2.67Å; E885-R932 IonicContact OE2-NH2 3.65Å; E885-R932 PolarHBondContact OE2-NH2 3.21Å; R932-W945 HydrophobicContact CB-CE3 3.84Å; R932-W945 HydrophobicContact CB-CZ3 3.66Å; R932-W945 HydrophobicContact CG-CE3 3.76Å; R932-W945 HydrophobicContact CG-CH2 4.24Å; R932-W945 HydrophobicContact CG-CZ3 3.34Å; R932-D948 IonicContact NH1-OD2 2.9Å
933	S	98.5	Very high	98.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.085	C	C	.	.			trans	-108.7	156.9	178.5	-164.8	0	0	0	0	112.3	N649 Y660 F883 A907 N911	N649-S933 PolarHBondContact ND2-OG 3.26Å; N649-S933 VanDerWaalsContact ND2-OG 3.16Å; Y660-S933 WeakPolarHBondContact O-CA 3.21Å; Y660-S933 PolarHBondContact O-OG 3.39Å; F883-S933 VanDerWaalsContact O-CB 3.25Å; F883-S933 WeakPolarHBondContact O-CB 3.41Å; A907-S933 WeakPolarHBondContact CB-OG 3.46Å; N911-S933 PolarHBondContact ND2-O 2.87Å
934	A	98.9	Very high	98.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.077	C	C	.	.	B	Isolated β-bridge	trans	-155.5	163	179.3	0	0	0	0	0	111.5	N649 K661 A938 F971	N649-A934 PolarHBondContact ND2-O 2.7Å; K661-A934 HydrophobicContact CB-CB 3.88Å; K661-A934 HydrophobicContact CD-CB 4.17Å; K661-A934 HydrophobicContact CG-CB 3.78Å; A934-A938 HydrophobicContact CB-CB 3.94Å; A934-F971 HydrophobicContact CB-CE1 3.81Å; A934-F971 HydrophobicContact CB-CZ 3.79Å
935	S	98.8	Very high	98.7	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.057	C	C	.	.			trans	-142.7	179.1	168.9	-168.6	0	0	0	0	108.8	I663 N904 G937 A938	I663-S935 VanDerWaalsContact CD1-C 3.44Å; N904-S935 WeakPolarHBondContact O-CB 3.39Å; S935-G937 PolarHBondContact O-N 2.97Å; S935-A938 WeakPolarHBondContact O-CB 3.48Å; S935-A938 PolarHBondContact O-N 2.96Å
936	V	98.8	Very high	98.8	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	129.5	178.5	178.5	0	0	0	0	110	Y548 P549 I663 P664 L675 T724 A938	Y548-V936 HydrophobicContact CD1-CB 3.52Å; Y548-V936 HydrophobicContact CD1-CG1 4.27Å; Y548-V936 HydrophobicContact CD1-CG2 3.93Å; Y548-V936 HydrophobicContact CD2-CB 4.35Å; Y548-V936 HydrophobicContact CD2-CG2 4.17Å; Y548-V936 HydrophobicContact CE1-CB 3.62Å; Y548-V936 HydrophobicContact CE1-CG2 3.58Å; Y548-V936 HydrophobicContact CE2-CB 4.46Å; Y548-V936 HydrophobicContact CE2-CG2 3.88Å; Y548-V936 HydrophobicContact CG-CB 3.91Å; Y548-V936 HydrophobicContact CG-CG1 4.2Å; Y548-V936 HydrophobicContact CG-CG2 4.21Å; P549-V936 WeakPolarHBondContact CD-O 3.45Å; I663-V936 HydrophobicContact CG2-CG2 3.95Å; P664-V936 HydrophobicContact CG-CG2 4.26Å; L675-V936 HydrophobicContact CD1-CG2 4.04Å; T724-V936 HydrophobicContact CG2-CG1 3.72Å; V936-A938 VanDerWaalsContact C-N 3.34Å
937	G	98.7	Very high	98.7	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.016	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.1	-15.7	-178.4	0	0	0	0	0	114.1	T724 S935 Q939 K940	T724-G937 VanDerWaalsContact O-CA 3.29Å; T724-G937 WeakPolarHBondContact O-CA 3.27Å; S935-G937 PolarHBondContact O-N 2.97Å; G937-Q939 PolarHBondContact O-N 2.8Å; G937-K940 WeakPolarHBondContact O-CB 3.4Å; G937-K940 WeakPolarHBondContact O-CE 3.41Å; G937-K940 VanDerWaalsContact O-CG 3.31Å; G937-K940 WeakPolarHBondContact O-CG 3.32Å; G937-K940 PolarHBondContact O-N 3.4Å
938	A	98.9	Very high	98.6	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.025	C	C	.	.	G	3₁₀ helix	trans	-68.7	-15.1	179.5	0	0	0	0	0	113	Y908 A934 S935 V936 K940 F941 H944 F971	Y908-A938 HydrophobicContact CD2-CB 4.43Å; A934-A938 HydrophobicContact CB-CB 3.94Å; S935-A938 WeakPolarHBondContact O-CB 3.48Å; S935-A938 PolarHBondContact O-N 2.96Å; V936-A938 VanDerWaalsContact C-N 3.34Å; A938-K940 PolarHBondContact O-N 3.5Å; A938-F941 PolarHBondContact O-N 3.46Å; A938-H944 PolarHBondContact O-CE1 3.37Å; A938-H944 VanDerWaalsContact O-CE1 3.26Å; A938-F971 HydrophobicContact CB-CE1 4.43Å
939	Q	98.8	Very high	98.3	Very high	2 Å²	2	5.1 Å²	5.1	1%	0.009	3%	0.025	C	C	.	.	G	3₁₀ helix	trans	-57.7	-21.1	172	70.4	-85.2	14	0	0	113.2	T724 G725 P727 G937 F941 G970 F971	T724-Q939 PolarHBondContact OG1-NE2 3.11Å; G725-Q939 WeakPolarHBondContact O-CG 3.34Å; G725-Q939 PolarHBondContact O-NE2 2.87Å; P727-Q939 VanDerWaalsContact CA-O 3.31Å; P727-Q939 WeakPolarHBondContact CA-O 3.41Å; P727-Q939 HydrophobicContact CG-CB 4.48Å; P727-Q939 HydrophobicContact CG-CG 4.33Å; G937-Q939 PolarHBondContact O-N 2.8Å; Q939-F941 PolarHBondContact O-N 3.1Å; Q939-G970 WeakPolarHBondContact CB-O 3.4Å; Q939-G970 WeakPolarHBondContact CG-O 3.37Å; Q939-F971 HydrophobicContact CB-CB 4.44Å; Q939-F971 HydrophobicContact CB-CD1 3.62Å; Q939-F971 HydrophobicContact CB-CD2 4.21Å; Q939-F971 HydrophobicContact CB-CE1 3.77Å; Q939-F971 HydrophobicContact CB-CE2 4.31Å; Q939-F971 HydrophobicContact CB-CG 3.86Å; Q939-F971 HydrophobicContact CB-CZ 4.11Å
940	K	98.9	Very high	98.2	Very high	52 Å²	52	10 Å²	10	23%	0.226	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	-60.2	-20.3	172.8	-69	-176.2	-67.5	177	0	113.3	R726 A728 Y908 G937 A938 P942	R726-K940 WeakPolarHBondContact O-CA 3.27Å; R726-K940 WeakPolarHBondContact O-CG 3.07Å; A728-K940 WeakPolarHBondContact CB-O 3.44Å; Y908-K940 PolarHBondContact OH-NZ 3.28Å; G937-K940 WeakPolarHBondContact O-CB 3.4Å; G937-K940 WeakPolarHBondContact O-CE 3.41Å; G937-K940 VanDerWaalsContact O-CG 3.31Å; G937-K940 WeakPolarHBondContact O-CG 3.32Å; G937-K940 PolarHBondContact O-N 3.4Å; A938-K940 PolarHBondContact O-N 3.5Å; K940-P942 WeakPolarHBondContact O-CD 3.47Å
941	F	98.9	Very high	98.2	Very high	8 Å²	8	10.5 Å²	10.5	4%	0.035	5%	0.048	C	C	.	.	S	Bend	trans	-117.8	60.3	-172.4	-38.6	-54.1	0	0	0	111.3	Y908 N911 E912 W915 L929 A938 Q939 H944	Y908-F941 AromaticContact CD2-CE2 3.93Å; Y908-F941 HydrophobicContact CD2-CE2 3.93Å; Y908-F941 AromaticContact CE2-CE2 3.6Å; Y908-F941 HydrophobicContact CE2-CE2 3.6Å; Y908-F941 AromaticContact CE2-CZ 3.93Å; Y908-F941 HydrophobicContact CE2-CZ 3.93Å; N911-F941 HydrophobicContact CB-CB 4.39Å; N911-F941 HydrophobicContact CB-CD2 4Å; E912-F941 HydrophobicContact CB-CD2 4.41Å; E912-F941 HydrophobicContact CB-CE1 4.31Å; E912-F941 HydrophobicContact CB-CE2 3.59Å; E912-F941 HydrophobicContact CB-CZ 3.53Å; E912-F941 HydrophobicContact CG-CE1 4.25Å; E912-F941 HydrophobicContact CG-CE2 4.25Å; E912-F941 HydrophobicContact CG-CZ 3.65Å; W915-F941 HydrophobicContact CB-CB 4.17Å; W915-F941 HydrophobicContact CB-CD1 3.66Å; W915-F941 HydrophobicContact CB-CE1 4.33Å; W915-F941 HydrophobicContact CB-CG 4.06Å; W915-F941 AromaticContact CD1-CD1 3.7Å; W915-F941 HydrophobicContact CD2-CB 4.17Å; W915-F941 AromaticContact CD2-CD1 3.84Å; W915-F941 HydrophobicContact CD2-CD1 3.84Å; W915-F941 HydrophobicContact CD2-CG 4.46Å; W915-F941 HydrophobicContact CE3-CB 3.95Å; W915-F941 HydrophobicContact CE3-CD1 4.46Å; W915-F941 HydrophobicContact CG-CB 4.28Å; W915-F941 AromaticContact CG-CD1 3.42Å; W915-F941 HydrophobicContact CG-CD1 3.42Å; W915-F941 VanDerWaalsContact CG-CD1 3.42Å; W915-F941 HydrophobicContact CG-CE1 4.14Å; W915-F941 HydrophobicContact CG-CG 4.18Å; L929-F941 HydrophobicContact CD1-CB 4.04Å; A938-F941 PolarHBondContact O-N 3.46Å; Q939-F941 PolarHBondContact O-N 3.1Å; F941-H944 PolarHBondContact O-CE1 2.96Å
942	P	98.9	Very high	98.1	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.006	6%	0.063	C	C	.	.			trans	-64	156.7	-179.1	31.4	-37	0	0	0	111.8	A728 P730 W915 L929 K940 F973	A728-P942 HydrophobicContact CB-CG 4.02Å; A728-P942 WeakPolarHBondContact O-CG 3.37Å; P730-P942 HydrophobicContact CG-CB 4.17Å; P730-P942 HydrophobicContact CG-CG 3.95Å; W915-P942 HydrophobicContact CH2-CG 4.38Å; W915-P942 HydrophobicContact CZ3-CG 4.33Å; L929-P942 PolarHBondContact N-O 3.28Å; K940-P942 WeakPolarHBondContact O-CD 3.47Å; P942-F973 HydrophobicContact CB-CB 4.22Å; P942-F973 HydrophobicContact CB-CD2 3.7Å; P942-F973 HydrophobicContact CB-CG 4.3Å; P942-F973 HydrophobicContact CG-CD2 4.13Å
943	V	98.8	Very high	98.1	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.069	C	C	.	.			cis	-108.4	152.9	12.4	176.3	0	0	0	0	111	P730 V928 L929 F930 A931 F973 H1002	P730-V943 HydrophobicContact CG-CG2 4.2Å; V928-V943 HydrophobicContact CG2-CB 4.49Å; V928-V943 HydrophobicContact CG2-CG2 3.72Å; L929-V943 WeakPolarHBondContact O-CB 3.36Å; L929-V943 PolarHBondContact O-N 3.47Å; F930-V943 CarbonylContact C-O 3.59Å; F930-V943 WeakPolarHBondContact CA-O 3.46Å; A931-V943 PolarHBondContact N-O 3.28Å; V943-F973 HydrophobicContact CG1-CB 4.18Å; V943-F973 HydrophobicContact CG2-CB 4.06Å; V943-H1002 HydrophobicContact CG1-CB 3.9Å; V943-H1002 WeakPolarHBondContact CG2-CE1 3.14Å; V943-H1002 VanDerWaalsContact CG2-NE2 3.31Å; V943-H1002 WeakPolarHBondContact CG2-NE2 3.46Å
944	H	98.9	Very high	98.1	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.009	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	134.9	179.2	-66.1	72.5	0	0	0	110.7	K661 A931 A938 F941 I966 F971 W974 S975	K661-H944 HydrophobicContact CD-CB 4.31Å; A931-H944 WeakPolarHBondContact O-CA 3.39Å; A938-H944 PolarHBondContact O-CE1 3.37Å; A938-H944 VanDerWaalsContact O-CE1 3.26Å; F941-H944 PolarHBondContact O-CE1 2.96Å; H944-I966 HydrophobicContact CB-CD1 3.91Å; H944-F971 HydrophobicContact CB-CD1 4.43Å; H944-F971 AromaticContact CD2-CD1 3.78Å; H944-F971 AromaticContact CD2-CE1 3.61Å; H944-F971 AromaticContact CE1-CD1 3.57Å; H944-F971 AromaticContact CE1-CE1 3.57Å; H944-F971 AromaticContact CG-CD1 3.61Å; H944-F971 AromaticContact CG-CE1 3.95Å; H944-F971 AromaticContact ND1-CD1 3.47Å; H944-F971 WeakPolarHBondContact ND1-CD1 3.4Å; H944-F971 AromaticContact ND1-CE1 3.92Å; H944-F971 AromaticContact NE2-CD1 3.73Å; H944-F971 AromaticContact NE2-CE1 3.33Å; H944-F971 VanDerWaalsContact NE2-CE1 3.33Å; H944-F971 WeakPolarHBondContact NE2-CE1 3.47Å; H944-W974 CarbonylContact O-C 3.46Å; H944-W974 VanDerWaalsContact O-CA 3.29Å; H944-W974 WeakPolarHBondContact O-CA 3.37Å; H944-S975 PolarHBondContact O-N 2.73Å
945	W	98.7	Very high	98.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	140.2	-177.6	150.9	84.9	0	0	0	112.5	K661 F930 A931 R932 G947 D948 S975 D977 R1004	K661-W945 WeakPolarHBondContact CE-O 3.38Å; K661-W945 PolarHBondContact NZ-O 3.43Å; F930-W945 HydrophobicContact CD1-CB 3.54Å; F930-W945 HydrophobicContact CD1-CG 4.09Å; F930-W945 HydrophobicContact CE1-CB 3.61Å; F930-W945 AromaticContact CE1-CG 4Å; F930-W945 HydrophobicContact CE1-CG 4Å; A931-W945 PolarHBondContact O-N 3.43Å; R932-W945 HydrophobicContact CB-CE3 3.84Å; R932-W945 HydrophobicContact CB-CZ3 3.66Å; R932-W945 HydrophobicContact CG-CE3 3.76Å; R932-W945 HydrophobicContact CG-CH2 4.24Å; R932-W945 HydrophobicContact CG-CZ3 3.34Å; W945-G947 VanDerWaalsContact CD2-N 3.3Å; W945-G947 VanDerWaalsContact CE2-CA 3.47Å; W945-G947 WeakPolarHBondContact CZ2-O 3.47Å; W945-G947 PolarHBondContact O-N 3.01Å; W945-D948 WeakPolarHBondContact CH2-OD1 3.32Å; W945-D948 WeakPolarHBondContact CZ2-OD1 3.48Å; W945-S975 CarbonylContact C-O 3.53Å; W945-S975 WeakPolarHBondContact CA-O 3.42Å; W945-D977 VanDerWaalsContact CZ2-OD2 3.32Å; W945-D977 WeakPolarHBondContact CZ2-OD2 3.24Å; W945-D977 PolarHBondContact NE1-OD1 3.22Å; W945-D977 PolarHBondContact NE1-OD2 3.4Å; W945-R1004 VanDerWaalsContact CE2-NH2 3.27Å
946	G	98.1	Very high	98.1	Very high	2 Å²	2	21.3 Å²	21.3	2%	0.021	10%	0.1	C	C	.	.			trans	-59.7	-8.3	-170.5	0	0	0	0	0	119	E633 F635 T654 S975	E633-G946 WeakPolarHBondContact OE1-CA 3.29Å; F635-G946 VanDerWaalsContact CZ-O 3.27Å; F635-G946 WeakPolarHBondContact CZ-O 3.48Å; T654-G946 WeakPolarHBondContact CG2-O 3.26Å; G946-S975 PolarHBondContact N-O 2.81Å
947	G	97	Very high	98.1	Very high	1 Å²	1	22 Å²	22	1%	0.01	11%	0.105	C	C	.	.			trans	86.5	-173.1	-178.2	0	0	0	0	0	114.4	W945 C949	W945-G947 VanDerWaalsContact CD2-N 3.3Å; W945-G947 VanDerWaalsContact CE2-CA 3.47Å; W945-G947 WeakPolarHBondContact CZ2-O 3.47Å; W945-G947 PolarHBondContact O-N 3.01Å; G947-C949 PolarHBondContact O-N 3.31Å
948	D	96.9	Very high	98	Very high	35 Å²	35	23 Å²	23	19%	0.187	11%	0.11	C	C	.	.	S	Bend	trans	-79.6	99.4	-170.2	-60.2	-27.3	0	0	0	112.2	T654 Y660 R932 W945 F981	T654-D948 PolarHBondContact N-O 2.93Å; Y660-D948 PolarHBondContact OH-N 3.22Å; R932-D948 IonicContact NH1-OD2 2.9Å; W945-D948 WeakPolarHBondContact CH2-OD1 3.32Å; W945-D948 WeakPolarHBondContact CZ2-OD1 3.48Å; D948-F981 HydrophobicContact CB-CD1 3.68Å; D948-F981 HydrophobicContact CB-CE1 4.11Å; D948-F981 HydrophobicContact CB-CG 4.27Å
949	C	92.6	Very high	98	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.007	11%	0.111	C	C	.	.			trans	-101.6	159.7	-178.2	56	0	0	0	0	113.9	T654 G947 F981 E982 W993	T654-C949 HydrophobicContact CG2-CB 4.01Å; T654-C949 VanDerWaalsContact OG1-CA 3.29Å; T654-C949 WeakPolarHBondContact OG1-CA 2.99Å; T654-C949 WeakPolarHBondContact OG1-CB 3.37Å; G947-C949 PolarHBondContact O-N 3.31Å; C949-F981 WeakPolarHBondContact O-CA 3.37Å; C949-F981 WeakPolarHBondContact O-CB 3.27Å; C949-F981 PolarHBondContact O-N 3.04Å; C949-E982 PolarHBondContact O-N 3.48Å; C949-W993 HydrophobicContact CB-CH2 4.23Å
950	Y	96.9	Very high	98	Very high	103 Å²	103	23 Å²	23	40%	0.404	11%	0.111	S	C	.	.	B	Isolated β-bridge	trans	-87	149.5	176.3	-80.7	-89.2	0	0	0	112.4	N952 S955 E982 W993	Y950-N952 VanDerWaalsContact C-N 3.27Å; Y950-N952 PolarHBondContact O-N 3.35Å; Y950-S955 PolarHBondContact N-OG 3.41Å; Y950-S955 VanDerWaalsContact O-CB 3.32Å; Y950-S955 WeakPolarHBondContact O-CB 3.25Å; Y950-E982 HydrophobicContact CD1-CB 3.74Å; Y950-E982 HydrophobicContact CD1-CG 4Å; Y950-E982 HydrophobicContact CE1-CB 3.87Å; Y950-E982 HydrophobicContact CE1-CG 3.59Å; Y950-E982 HydrophobicContact CG-CB 4.15Å; Y950-W993 WeakPolarHBondContact O-CH2 3.44Å; Y950-W993 WeakPolarHBondContact O-CZ3 3.08Å
951	A	97.6	Very high	98	Very high	11 Å²	11	22.7 Å²	22.7	9%	0.091	11%	0.108	C	C	.	.	S	Bend	trans	-78.7	57.8	179.1	0	0	0	0	0	114.7	G979 E982 A985	A951-G979 WeakPolarHBondContact CB-O 3.3Å; A951-E982 WeakPolarHBondContact CB-O 3.24Å; A951-E982 PolarHBondContact N-O 2.93Å; A951-E982 VanDerWaalsContact N-O 3.09Å; A951-A985 HydrophobicContact CB-CB 3.79Å
952	N	97.9	Very high	98	Very high	58 Å²	58	22.3 Å²	22.3	31%	0.31	11%	0.106	S	C	.	.	S	Bend	trans	-143.3	170.6	175.7	60.6	47.5	0	0	0	112.3	Y950 E954 S955 M956	Y950-N952 VanDerWaalsContact C-N 3.27Å; Y950-N952 PolarHBondContact O-N 3.35Å; N952-E954 PolarHBondContact OD1-N 3.08Å; N952-S955 WeakPolarHBondContact OD1-CB 3.02Å; N952-S955 PolarHBondContact OD1-N 3.35Å; N952-M956 PolarHBondContact O-N 2.96Å
953	Y	98.5	Very high	98	Very high	33 Å²	33	22.3 Å²	22.3	13%	0.129	11%	0.106	C	C	.	.	H	α-helix	trans	-68.8	-37	-175.8	-70.1	-55.9	0	0	0	113.2	S955 M956 A957 N988 V989 R992 F1086 T1087 E1088	Y953-S955 VanDerWaalsContact C-N 3.32Å; Y953-S955 PolarHBondContact O-N 2.98Å; Y953-M956 HydrophobicContact CD1-SD 4.49Å; Y953-M956 WeakPolarHBondContact O-CB 2.91Å; Y953-M956 PolarHBondContact O-N 3.44Å; Y953-A957 PolarHBondContact O-N 2.62Å; Y953-N988 PolarHBondContact OH-OD1 3.16Å; Y953-V989 HydrophobicContact CD1-CG2 4.27Å; Y953-V989 HydrophobicContact CD2-CG2 4.21Å; Y953-V989 HydrophobicContact CE1-CB 4.41Å; Y953-V989 HydrophobicContact CE1-CG2 3.99Å; Y953-V989 HydrophobicContact CE2-CG2 3.93Å; Y953-V989 HydrophobicContact CG-CG2 4.37Å; Y953-R992 HydrophobicContact CE1-CB 4.03Å; Y953-R992 HydrophobicContact CE1-CG 3.85Å; Y953-F1086 HydrophobicContact CD1-CB 4.44Å; Y953-T1087 VanDerWaalsContact OH-C 3.26Å; Y953-T1087 PolarHBondContact OH-O 3.4Å; Y953-E1088 WeakPolarHBondContact OH-CA 3.43Å; Y953-E1088 PolarHBondContact OH-N 2.98Å
954	E	98.3	Very high	98	Very high	136 Å²	136	22.3 Å²	22.3	64%	0.636	11%	0.106	S	C	*	.	H	α-helix	trans	-61.8	-42.5	179.1	-65	75.4	-167.6	0	0	110.9	N952 A957 E958	N952-E954 PolarHBondContact OD1-N 3.08Å; E954-A957 WeakPolarHBondContact O-CB 3.36Å; E954-A957 PolarHBondContact O-N 3.35Å; E954-E958 PolarHBondContact O-N 3.19Å
955	S	98.1	Very high	98	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.014	11%	0.106	C	C	.	.	H	α-helix	trans	-76.2	-28.5	177.5	-165.9	0	0	0	0	113	Y950 N952 Y953 A957 E958 S959	Y950-S955 PolarHBondContact N-OG 3.41Å; Y950-S955 VanDerWaalsContact O-CB 3.32Å; Y950-S955 WeakPolarHBondContact O-CB 3.25Å; N952-S955 WeakPolarHBondContact OD1-CB 3.02Å; N952-S955 PolarHBondContact OD1-N 3.35Å; Y953-S955 VanDerWaalsContact C-N 3.32Å; Y953-S955 PolarHBondContact O-N 2.98Å; S955-A957 VanDerWaalsContact C-N 3.3Å; S955-A957 PolarHBondContact O-N 3.08Å; S955-E958 WeakPolarHBondContact CA-OE1 3.3Å; S955-E958 WeakPolarHBondContact CB-OE1 3.07Å; S955-E958 WeakPolarHBondContact O-CG 2.96Å; S955-E958 PolarHBondContact OG-OE1 2.94Å; S955-S959 VanDerWaalsContact O-CB 3.3Å; S955-S959 WeakPolarHBondContact O-CB 3.44Å; S955-S959 PolarHBondContact O-N 3.18Å; S955-S959 PolarHBondContact O-OG 3.2Å
956	M	98.8	Very high	98	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.4	-39.8	166.2	-173.8	-176.5	162.7	0	0	111.2	N952 Y953 L960 W993 F996 P1084 F1086	N952-M956 PolarHBondContact O-N 2.96Å; Y953-M956 HydrophobicContact CD1-SD 4.49Å; Y953-M956 WeakPolarHBondContact O-CB 2.91Å; Y953-M956 PolarHBondContact O-N 3.44Å; M956-L960 PolarHBondContact O-N 3.15Å; M956-L960 VanDerWaalsContact O-N 3.14Å; M956-W993 HydrophobicContact CB-CD2 4.02Å; M956-W993 HydrophobicContact CB-CE3 3.93Å; M956-W993 HydrophobicContact CB-CH2 3.99Å; M956-W993 HydrophobicContact CB-CZ2 4.07Å; M956-W993 HydrophobicContact CB-CZ3 3.91Å; M956-W993 HydrophobicContact CE-CB 4.44Å; M956-W993 HydrophobicContact CE-CG 4.4Å; M956-W993 HydrophobicContact CG-CD2 3.71Å; M956-W993 HydrophobicContact CG-CE3 4.1Å; M956-W993 HydrophobicContact CG-CG 4Å; M956-W993 HydrophobicContact CG-CZ2 4.22Å; M956-W993 HydrophobicContact SD-CB 4.06Å; M956-W993 HydrophobicContact SD-CD2 4.08Å; M956-W993 HydrophobicContact SD-CE3 4.38Å; M956-W993 HydrophobicContact SD-CG 3.94Å; M956-F996 HydrophobicContact CE-CB 3.44Å; M956-F996 VanDerWaalsContact CE-CB 3.44Å; M956-F996 HydrophobicContact CE-CD1 3.63Å; M956-F996 HydrophobicContact CE-CG 3.85Å; M956-F996 HydrophobicContact CG-CD1 4.04Å; M956-F996 HydrophobicContact CG-CE1 4.46Å; M956-P1084 HydrophobicContact CE-CB 3.92Å; M956-F1086 HydrophobicContact CB-CD1 4.42Å; M956-F1086 HydrophobicContact CB-CE1 4.16Å; M956-F1086 HydrophobicContact CE-CE1 4.21Å; M956-F1086 HydrophobicContact CG-CD1 4.36Å; M956-F1086 HydrophobicContact CG-CE1 3.86Å; M956-F1086 HydrophobicContact SD-CD1 4.26Å; M956-F1086 HydrophobicContact SD-CE1 4.17Å
957	A	98.8	Very high	98.1	Very high	14 Å²	14	22.2 Å²	22.2	12%	0.116	11%	0.106	C	C	.	.	H	α-helix	trans	-70.9	-41.8	178.2	0	0	0	0	0	112.5	Y953 E954 S955 S959 L960 R961 F1086	Y953-A957 PolarHBondContact O-N 2.62Å; E954-A957 WeakPolarHBondContact O-CB 3.36Å; E954-A957 PolarHBondContact O-N 3.35Å; S955-A957 VanDerWaalsContact C-N 3.3Å; S955-A957 PolarHBondContact O-N 3.08Å; A957-S959 VanDerWaalsContact C-N 3.32Å; A957-S959 PolarHBondContact O-N 3.48Å; A957-L960 PolarHBondContact O-N 3.5Å; A957-R961 PolarHBondContact O-N 3.33Å; A957-R961 VanDerWaalsContact O-N 3.09Å; A957-F1086 HydrophobicContact CB-CD1 4.02Å; A957-F1086 HydrophobicContact CB-CE1 3.7Å; A957-F1086 HydrophobicContact CB-CZ 4.21Å
958	E	98.4	Very high	98.2	Very high	23 Å²	23	22.2 Å²	22.2	11%	0.107	11%	0.106	C	C	.	.	H	α-helix	trans	-65.1	-36.5	174.9	85.4	-161.6	174.4	0	0	112.1	F635 T654 S655 E954 S955 L960 R961 G962	F635-E958 HydrophobicContact CB-CB 4.28Å; F635-E958 HydrophobicContact CB-CG 4.38Å; F635-E958 HydrophobicContact CD1-CG 4.5Å; T654-E958 VanDerWaalsContact O-CG 3.23Å; T654-E958 WeakPolarHBondContact O-CG 3.35Å; T654-E958 VanDerWaalsContact O-OE1 3.09Å; T654-E958 PolarHBondContact OG1-OE1 3.09Å; S655-E958 PolarHBondContact OG-OE1 3.36Å; E954-E958 PolarHBondContact O-N 3.19Å; S955-E958 WeakPolarHBondContact CA-OE1 3.3Å; S955-E958 WeakPolarHBondContact CB-OE1 3.07Å; S955-E958 WeakPolarHBondContact O-CG 2.96Å; S955-E958 PolarHBondContact OG-OE1 2.94Å; E958-L960 PolarHBondContact O-N 3.16Å; E958-R961 WeakPolarHBondContact O-CB 3.13Å; E958-R961 PolarHBondContact O-N 2.84Å; E958-G962 PolarHBondContact O-N 3.35Å
959	S	98.7	Very high	98.3	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.014	10%	0.097	C	C	.	.	H	α-helix	trans	-60.1	-45.6	173.4	-62	0	0	0	0	111.2	S955 A957 R961 G962 G963 W974	S955-S959 VanDerWaalsContact O-CB 3.3Å; S955-S959 WeakPolarHBondContact O-CB 3.44Å; S955-S959 PolarHBondContact O-N 3.18Å; S955-S959 PolarHBondContact O-OG 3.2Å; A957-S959 VanDerWaalsContact C-N 3.32Å; A957-S959 PolarHBondContact O-N 3.48Å; S959-R961 VanDerWaalsContact C-N 3.32Å; S959-R961 PolarHBondContact O-N 2.97Å; S959-G962 WeakPolarHBondContact O-CA 3.24Å; S959-G962 PolarHBondContact O-N 3.25Å; S959-G962 VanDerWaalsContact O-N 3.08Å; S959-G963 PolarHBondContact O-N 3.42Å; S959-W974 WeakPolarHBondContact O-CH2 3.41Å; S959-W974 VanDerWaalsContact O-CZ2 3.26Å; S959-W974 WeakPolarHBondContact O-CZ2 3.41Å
960	L	98.9	Very high	98.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-59.6	-41.7	174.7	174.6	59.8	0	0	0	111.7	M956 A957 E958 G962 G963 L964 F996 M1054 D1071 Y1074 P1084 F1086	M956-L960 PolarHBondContact O-N 3.15Å; M956-L960 VanDerWaalsContact O-N 3.14Å; A957-L960 PolarHBondContact O-N 3.5Å; E958-L960 PolarHBondContact O-N 3.16Å; L960-G962 VanDerWaalsContact C-N 3.28Å; L960-G962 PolarHBondContact O-N 2.92Å; L960-G963 PolarHBondContact O-N 3.05Å; L960-L964 HydrophobicContact CD1-CD1 4.4Å; L960-L964 HydrophobicContact CD1-CG 4.09Å; L960-L964 HydrophobicContact CG-CD1 4.34Å; L960-L964 HydrophobicContact CG-CG 4.45Å; L960-L964 WeakPolarHBondContact O-CG 3.41Å; L960-L964 PolarHBondContact O-N 2.94Å; L960-F996 HydrophobicContact CB-CE1 4.31Å; L960-F996 HydrophobicContact CB-CZ 3.87Å; L960-F996 HydrophobicContact CD1-CE2 3.77Å; L960-F996 HydrophobicContact CD1-CZ 3.8Å; L960-F996 HydrophobicContact CG-CZ 4.36Å; L960-M1054 HydrophobicContact CD1-SD 3.73Å; L960-D1071 WeakPolarHBondContact CD2-O 3.5Å; L960-Y1074 HydrophobicContact CD1-CD1 3.7Å; L960-Y1074 HydrophobicContact CD1-CE1 4.1Å; L960-Y1074 HydrophobicContact CD2-CD1 4.42Å; L960-P1084 HydrophobicContact CD2-CG 4.35Å; L960-F1086 HydrophobicContact CD2-CZ 4.11Å
961	R	98.9	Very high	98.6	Very high	45 Å²	45	15.7 Å²	15.7	17%	0.17	8%	0.078	C	C	.	.	H	α-helix	trans	-59.5	-40	173.5	-66.5	-166.5	-62.3	-86.7	0.4	112	F635 T636 A957 E958 S959 L964 S965 D1071	F635-R961 PolarHBondContact O-NE 2.88Å; F635-R961 PolarHBondContact O-NH2 3.33Å; T636-R961 VanDerWaalsContact O-CD 3.25Å; T636-R961 WeakPolarHBondContact O-CD 3.27Å; T636-R961 PolarHBondContact O-NE 3.4Å; A957-R961 PolarHBondContact O-N 3.33Å; A957-R961 VanDerWaalsContact O-N 3.09Å; E958-R961 WeakPolarHBondContact O-CB 3.13Å; E958-R961 PolarHBondContact O-N 2.84Å; S959-R961 VanDerWaalsContact C-N 3.32Å; S959-R961 PolarHBondContact O-N 2.97Å; R961-L964 PolarHBondContact O-N 3.16Å; R961-S965 VanDerWaalsContact O-CB 3.27Å; R961-S965 WeakPolarHBondContact O-CB 3.44Å; R961-S965 PolarHBondContact O-N 2.94Å; R961-S965 PolarHBondContact O-OG 3.38Å; R961-D1071 WeakPolarHBondContact CD-OD2 3.43Å; R961-D1071 HydrophobicContact CG-CB 4.12Å
962	G	98.7	Very high	98.7	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-58.3	-50.1	172.2	0	0	0	0	0	112.3	R634 E958 S959 L960 L964 S965 I966	R634-G962 WeakPolarHBondContact O-CA 3.32Å; R634-G962 PolarHBondContact O-N 3.03Å; E958-G962 PolarHBondContact O-N 3.35Å; S959-G962 WeakPolarHBondContact O-CA 3.24Å; S959-G962 PolarHBondContact O-N 3.25Å; S959-G962 VanDerWaalsContact O-N 3.08Å; L960-G962 VanDerWaalsContact C-N 3.28Å; L960-G962 PolarHBondContact O-N 2.92Å; G962-L964 PolarHBondContact O-N 2.76Å; G962-S965 PolarHBondContact O-N 3.4Å; G962-I966 PolarHBondContact O-N 2.93Å
963	G	98.8	Very high	98.7	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.01	6%	0.061	C	C	.	.	H	α-helix	trans	-62.1	-38.8	178.3	0	0	0	0	0	114.1	S959 L960 I966 G967 W974	S959-G963 PolarHBondContact O-N 3.42Å; L960-G963 PolarHBondContact O-N 3.05Å; G963-I966 WeakPolarHBondContact O-CG2 3.42Å; G963-G967 PolarHBondContact O-N 3.19Å; G963-W974 VanDerWaalsContact CA-CE2 3.41Å
964	L	98.9	Very high	98.8	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-66.3	-45.5	171.8	-69.7	-179.8	0	0	0	111.8	L638 L960 R961 G962 I966 G967 L968 M1054 A1056	L638-L964 HydrophobicContact CD1-CB 3.79Å; L638-L964 HydrophobicContact CD2-CD1 4.02Å; L960-L964 HydrophobicContact CD1-CD1 4.4Å; L960-L964 HydrophobicContact CD1-CG 4.09Å; L960-L964 HydrophobicContact CG-CD1 4.34Å; L960-L964 HydrophobicContact CG-CG 4.45Å; L960-L964 WeakPolarHBondContact O-CG 3.41Å; L960-L964 PolarHBondContact O-N 2.94Å; R961-L964 PolarHBondContact O-N 3.16Å; G962-L964 PolarHBondContact O-N 2.76Å; L964-I966 PolarHBondContact O-N 3.33Å; L964-G967 PolarHBondContact O-N 3.2Å; L964-L968 WeakPolarHBondContact O-CD1 3.38Å; L964-L968 WeakPolarHBondContact O-CG 3.39Å; L964-L968 PolarHBondContact O-N 3.13Å; L964-M1054 HydrophobicContact CD2-CG 4.03Å; L964-A1056 HydrophobicContact CD2-CB 4.16Å
965	S	98.9	Very high	98.8	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-65	-38.6	-176.6	-55.6	0	0	0	0	112.3	G632 R634 R640 R961 G962 L968 S969	G632-S965 CarbonylContact O-C 3.53Å; G632-S965 VanDerWaalsContact O-CB 3.22Å; G632-S965 WeakPolarHBondContact O-CB 3.27Å; R634-S965 PolarHBondContact O-OG 3.43Å; R640-S965 PolarHBondContact NH1-OG 3.12Å; R640-S965 PolarHBondContact NH2-OG 3.38Å; R961-S965 VanDerWaalsContact O-CB 3.27Å; R961-S965 WeakPolarHBondContact O-CB 3.44Å; R961-S965 PolarHBondContact O-N 2.94Å; R961-S965 PolarHBondContact O-OG 3.38Å; G962-S965 PolarHBondContact O-N 3.4Å; S965-L968 CarbonylContact O-C 2.86Å; S965-L968 PolarHBondContact O-N 3.46Å; S965-S969 WeakPolarHBondContact O-CB 3.4Å; S965-S969 PolarHBondContact O-N 3.17Å; S965-S969 VanDerWaalsContact O-N 3.14Å; S965-S969 PolarHBondContact O-OG 3.14Å
966	I	98.9	Very high	98.8	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-70.5	-35.4	177.6	-149.9	-169.6	0	0	0	111.6	E633 K661 H944 G962 G963 L964 L968 S969 G970 F971 W974	E633-I966 HydrophobicContact CB-CB 3.95Å; E633-I966 HydrophobicContact CB-CD1 4.13Å; E633-I966 HydrophobicContact CB-CG1 3.96Å; E633-I966 HydrophobicContact CG-CB 4.31Å; K661-I966 HydrophobicContact CD-CD1 3.45Å; K661-I966 VanDerWaalsContact CD-CD1 3.45Å; H944-I966 HydrophobicContact CB-CD1 3.91Å; G962-I966 PolarHBondContact O-N 2.93Å; G963-I966 WeakPolarHBondContact O-CG2 3.42Å; L964-I966 PolarHBondContact O-N 3.33Å; I966-L968 VanDerWaalsContact C-N 3.35Å; I966-S969 CarbonylContact O-C 3.5Å; I966-S969 WeakPolarHBondContact O-CA 3.13Å; I966-S969 WeakPolarHBondContact O-CB 3.29Å; I966-S969 PolarHBondContact O-N 2.92Å; I966-G970 PolarHBondContact O-N 2.94Å; I966-F971 HydrophobicContact CB-CB 4.46Å; I966-F971 HydrophobicContact CD1-CB 3.91Å; I966-F971 HydrophobicContact CD1-CD1 3.88Å; I966-F971 HydrophobicContact CD1-CD2 4.1Å; I966-F971 HydrophobicContact CD1-CE1 4.47Å; I966-F971 HydrophobicContact CD1-CG 3.68Å; I966-F971 HydrophobicContact CG1-CB 3.76Å; I966-F971 HydrophobicContact CG1-CD1 4.29Å; I966-F971 HydrophobicContact CG1-CD2 3.59Å; I966-F971 HydrophobicContact CG1-CE2 4.3Å; I966-F971 HydrophobicContact CG1-CG 3.6Å; I966-F971 HydrophobicContact CG2-CB 4.31Å; I966-F971 WeakPolarHBondContact O-CB 3.39Å; I966-F971 PolarHBondContact O-N 2.99Å; I966-F971 VanDerWaalsContact O-N 3.15Å; I966-W974 HydrophobicContact CG2-CB 4.14Å; I966-W974 HydrophobicContact CG2-CG 3.95Å
967	G	98.9	Very high	98.8	Very high	2 Å²	2	5.1 Å²	5.1	2%	0.021	3%	0.026	C	C	.	.	H	α-helix	trans	-61.6	-42.1	170.7	0	0	0	0	0	112.4	L717 G963 L964 S969 G970 F971	L717-G967 WeakPolarHBondContact CD1-O 3.4Å; G963-G967 PolarHBondContact O-N 3.19Å; L964-G967 PolarHBondContact O-N 3.2Å; G967-S969 PolarHBondContact O-N 2.94Å; G967-S969 VanDerWaalsContact O-N 3.16Å; G967-G970 PolarHBondContact O-N 3.46Å; G967-F971 WeakPolarHBondContact CA-O 3.21Å
968	L	98.9	Very high	98.8	Very high	1 Å²	1	4.5 Å²	4.5	1%	0.005	2%	0.021	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-2.5	171.5	-72	156.2	0	0	0	113.6	Y629 L638 F665 M667 L964 S965 I966 A1056 M1058 M1059	Y629-L968 HydrophobicContact CD1-CD1 4.14Å; Y629-L968 HydrophobicContact CG-CD1 4.41Å; L638-L968 HydrophobicContact CD1-CD1 4.06Å; F665-L968 WeakPolarHBondContact CE1-O 2.98Å; M667-L968 HydrophobicContact CG-CD2 4.48Å; M667-L968 HydrophobicContact SD-CB 4.38Å; M667-L968 HydrophobicContact SD-CD2 3.73Å; L964-L968 WeakPolarHBondContact O-CD1 3.38Å; L964-L968 WeakPolarHBondContact O-CG 3.39Å; L964-L968 PolarHBondContact O-N 3.13Å; S965-L968 CarbonylContact O-C 2.86Å; S965-L968 PolarHBondContact O-N 3.46Å; I966-L968 VanDerWaalsContact C-N 3.35Å; L968-A1056 HydrophobicContact CD1-CB 3.74Å; L968-A1056 HydrophobicContact CG-CB 4.35Å; L968-M1058 HydrophobicContact CD2-SD 3.72Å; L968-M1059 HydrophobicContact CD2-CE 3.47Å; L968-M1059 VanDerWaalsContact CD2-CE 3.47Å; L968-M1059 HydrophobicContact CG-CE 3.9Å
969	S	98.9	Very high	98.8	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.016	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	16.7	177.7	-52	0	0	0	0	112.9	G630 G632 Y720 S965 I966 G967 F971	G630-S969 WeakPolarHBondContact CA-OG 3.23Å; G632-S969 WeakPolarHBondContact CA-OG 3.47Å; G632-S969 PolarHBondContact N-OG 3.42Å; Y720-S969 WeakPolarHBondContact CE1-O 3.45Å; S965-S969 WeakPolarHBondContact O-CB 3.4Å; S965-S969 PolarHBondContact O-N 3.17Å; S965-S969 VanDerWaalsContact O-N 3.14Å; S965-S969 PolarHBondContact O-OG 3.14Å; I966-S969 CarbonylContact O-C 3.5Å; I966-S969 WeakPolarHBondContact O-CA 3.13Å; I966-S969 WeakPolarHBondContact O-CB 3.29Å; I966-S969 PolarHBondContact O-N 2.92Å; G967-S969 PolarHBondContact O-N 2.94Å; G967-S969 VanDerWaalsContact O-N 3.16Å; S969-F971 WeakPolarHBondContact O-CD2 3.49Å
970	G	98.8	Very high	98.6	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.015	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.6	3	173.4	0	0	0	0	0	116.2	Q939 I966 G967	Q939-G970 WeakPolarHBondContact CB-O 3.4Å; Q939-G970 WeakPolarHBondContact CG-O 3.37Å; I966-G970 PolarHBondContact O-N 2.94Å; G967-G970 PolarHBondContact O-N 3.46Å
971	F	98.9	Very high	98.4	Very high	2 Å²	2	3.9 Å²	3.9	1%	0.009	2%	0.018	C	C	.	.			trans	-90.3	115.9	-179.5	-67.6	-104.4	0	0	0	110.9	I663 A934 A938 Q939 H944 I966 G967 S969 F973	I663-F971 HydrophobicContact CD1-CE2 3.64Å; I663-F971 HydrophobicContact CD1-CZ 3.79Å; I663-F971 HydrophobicContact CG1-CE2 3.83Å; I663-F971 HydrophobicContact CG1-CZ 4.43Å; A934-F971 HydrophobicContact CB-CE1 3.81Å; A934-F971 HydrophobicContact CB-CZ 3.79Å; A938-F971 HydrophobicContact CB-CE1 4.43Å; Q939-F971 HydrophobicContact CB-CB 4.44Å; Q939-F971 HydrophobicContact CB-CD1 3.62Å; Q939-F971 HydrophobicContact CB-CD2 4.21Å; Q939-F971 HydrophobicContact CB-CE1 3.77Å; Q939-F971 HydrophobicContact CB-CE2 4.31Å; Q939-F971 HydrophobicContact CB-CG 3.86Å; Q939-F971 HydrophobicContact CB-CZ 4.11Å; H944-F971 HydrophobicContact CB-CD1 4.43Å; H944-F971 AromaticContact CD2-CD1 3.78Å; H944-F971 AromaticContact CD2-CE1 3.61Å; H944-F971 AromaticContact CE1-CD1 3.57Å; H944-F971 AromaticContact CE1-CE1 3.57Å; H944-F971 AromaticContact CG-CD1 3.61Å; H944-F971 AromaticContact CG-CE1 3.95Å; H944-F971 AromaticContact ND1-CD1 3.47Å; H944-F971 WeakPolarHBondContact ND1-CD1 3.4Å; H944-F971 AromaticContact ND1-CE1 3.92Å; H944-F971 AromaticContact NE2-CD1 3.73Å; H944-F971 AromaticContact NE2-CE1 3.33Å; H944-F971 VanDerWaalsContact NE2-CE1 3.33Å; H944-F971 WeakPolarHBondContact NE2-CE1 3.47Å; I966-F971 HydrophobicContact CB-CB 4.46Å; I966-F971 HydrophobicContact CD1-CB 3.91Å; I966-F971 HydrophobicContact CD1-CD1 3.88Å; I966-F971 HydrophobicContact CD1-CD2 4.1Å; I966-F971 HydrophobicContact CD1-CE1 4.47Å; I966-F971 HydrophobicContact CD1-CG 3.68Å; I966-F971 HydrophobicContact CG1-CB 3.76Å; I966-F971 HydrophobicContact CG1-CD1 4.29Å; I966-F971 HydrophobicContact CG1-CD2 3.59Å; I966-F971 HydrophobicContact CG1-CE2 4.3Å; I966-F971 HydrophobicContact CG1-CG 3.6Å; I966-F971 HydrophobicContact CG2-CB 4.31Å; I966-F971 WeakPolarHBondContact O-CB 3.39Å; I966-F971 PolarHBondContact O-N 2.99Å; I966-F971 VanDerWaalsContact O-N 3.15Å; G967-F971 WeakPolarHBondContact CA-O 3.21Å; S969-F971 WeakPolarHBondContact O-CD2 3.49Å; F971-F973 PolarHBondContact O-N 2.92Å
972	G	98.7	Very high	97.6	Very high	4 Å²	4	4.1 Å²	4.1	4%	0.041	2%	0.021	C	C	.	.			trans	-71.5	-29.3	-174.2	0	0	0	0	0	115.2	M1053	G972-M1053 PolarHBondContact O-N 3.29Å
973	F	98.9	Very high	96.9	Very high	3 Å²	3	8.6 Å²	8.6	1%	0.013	5%	0.045	C	C	.	.			trans	-132.6	130.4	-168.3	-52	-78.7	0	0	0	110.8	P727 A728 L729 P730 F735 P942 V943 F971 H1002 A1043 A1046 M1053	P727-F973 HydrophobicContact CB-CD2 4.32Å; P727-F973 HydrophobicContact CB-CE2 3.95Å; A728-F973 WeakPolarHBondContact O-CE2 3.37Å; L729-F973 HydrophobicContact CD1-CZ 4.5Å; P730-F973 VanDerWaalsContact CD-CE2 3.46Å; P730-F973 HydrophobicContact CG-CD1 4.08Å; P730-F973 HydrophobicContact CG-CD2 3.85Å; P730-F973 HydrophobicContact CG-CE1 4.14Å; P730-F973 HydrophobicContact CG-CE2 3.94Å; P730-F973 HydrophobicContact CG-CG 3.92Å; P730-F973 HydrophobicContact CG-CZ 4.07Å; F735-F973 HydrophobicContact CZ-CD1 4.18Å; F735-F973 AromaticContact CZ-CE1 3.91Å; F735-F973 HydrophobicContact CZ-CE1 3.91Å; P942-F973 HydrophobicContact CB-CB 4.22Å; P942-F973 HydrophobicContact CB-CD2 3.7Å; P942-F973 HydrophobicContact CB-CG 4.3Å; P942-F973 HydrophobicContact CG-CD2 4.13Å; V943-F973 HydrophobicContact CG1-CB 4.18Å; V943-F973 HydrophobicContact CG2-CB 4.06Å; F971-F973 PolarHBondContact O-N 2.92Å; F973-H1002 AromaticContact CD1-CE1 3.93Å; F973-A1043 HydrophobicContact CE1-CB 3.67Å; F973-A1043 HydrophobicContact CZ-CB 4.09Å; F973-A1046 HydrophobicContact CE1-CB 4.31Å; F973-A1046 HydrophobicContact CE2-CB 4.09Å; F973-A1046 HydrophobicContact CZ-CB 3.75Å; F973-M1053 HydrophobicContact CD1-CG 4.44Å; F973-M1053 HydrophobicContact CD1-SD 3.92Å; F973-M1053 HydrophobicContact CE1-CG 4.22Å; F973-M1053 HydrophobicContact CE1-SD 3.74Å
974	W	98.9	Very high	96.5	Very high	7 Å²	7	12.9 Å²	12.9	3%	0.027	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	144.1	-178.2	-173.6	75.7	0	0	0	111.8	E633 H944 S959 G963 I966 H976 F996 S1001 H1002 M1054	E633-W974 PolarHBondContact OE1-NE1 2.89Å; H944-W974 CarbonylContact O-C 3.46Å; H944-W974 VanDerWaalsContact O-CA 3.29Å; H944-W974 WeakPolarHBondContact O-CA 3.37Å; S959-W974 WeakPolarHBondContact O-CH2 3.41Å; S959-W974 VanDerWaalsContact O-CZ2 3.26Å; S959-W974 WeakPolarHBondContact O-CZ2 3.41Å; G963-W974 VanDerWaalsContact CA-CE2 3.41Å; I966-W974 HydrophobicContact CG2-CB 4.14Å; I966-W974 HydrophobicContact CG2-CG 3.95Å; W974-H976 AromaticContact CE3-CD2 3.87Å; W974-H976 HydrophobicContact CH2-CB 3.54Å; W974-H976 AromaticContact CH2-CD2 3.69Å; W974-H976 AromaticContact CH2-CG 3.79Å; W974-H976 HydrophobicContact CZ2-CB 3.97Å; W974-H976 HydrophobicContact CZ3-CB 3.98Å; W974-H976 AromaticContact CZ3-CD2 3.2Å; W974-H976 WeakPolarHBondContact CZ3-CD2 3.32Å; W974-H976 AromaticContact CZ3-CG 3.8Å; W974-F996 HydrophobicContact CH2-CZ 4.44Å; W974-F996 AromaticContact CZ3-CZ 3.98Å; W974-F996 HydrophobicContact CZ3-CZ 3.98Å; W974-S1001 PolarHBondContact N-OG 3.29Å; W974-S1001 PolarHBondContact O-OG 2.79Å; W974-H1002 PolarHBondContact O-N 2.89Å; W974-M1054 HydrophobicContact CE3-CE 4.16Å; W974-M1054 HydrophobicContact CE3-SD 4.15Å; W974-M1054 HydrophobicContact CZ3-CE 4.26Å; W974-M1054 HydrophobicContact CZ3-SD 4.31Å
975	S	98.9	Very high	96.3	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	167	174	-160.1	0	0	0	0	112	F930 H944 W945 G946 H1002	F930-S975 WeakPolarHBondContact CZ-OG 3.3Å; H944-S975 PolarHBondContact O-N 2.73Å; W945-S975 CarbonylContact C-O 3.53Å; W945-S975 WeakPolarHBondContact CA-O 3.42Å; G946-S975 PolarHBondContact N-O 2.81Å; S975-H1002 WeakPolarHBondContact CB-O 3.37Å; S975-H1002 VanDerWaalsContact OG-C 3.26Å; S975-H1002 PolarHBondContact OG-O 2.91Å
976	H	98.8	Very high	96.2	Very high	3 Å²	3	16.3 Å²	16.3	1%	0.014	9%	0.094	C	C	.	.			trans	-154.4	164.3	176.4	58.1	102.8	0	0	0	109.3	W974 W993 F996 G997 S1000	W974-H976 AromaticContact CE3-CD2 3.87Å; W974-H976 HydrophobicContact CH2-CB 3.54Å; W974-H976 AromaticContact CH2-CD2 3.69Å; W974-H976 AromaticContact CH2-CG 3.79Å; W974-H976 HydrophobicContact CZ2-CB 3.97Å; W974-H976 HydrophobicContact CZ3-CB 3.98Å; W974-H976 AromaticContact CZ3-CD2 3.2Å; W974-H976 WeakPolarHBondContact CZ3-CD2 3.32Å; W974-H976 AromaticContact CZ3-CG 3.8Å; H976-W993 AromaticContact CE1-CD1 3.5Å; H976-W993 AromaticContact CE1-NE1 3.28Å; H976-W993 PolarHBondContact CE1-NE1 2.76Å; H976-W993 VanDerWaalsContact CE1-NE1 3.28Å; H976-W993 AromaticContact ND1-CD1 3.49Å; H976-W993 AromaticContact ND1-CE2 3.95Å; H976-W993 AromaticContact ND1-NE1 2.83Å; H976-W993 PolarHBondContact ND1-NE1 3.48Å; H976-F996 AromaticContact CE1-CD1 3.24Å; H976-F996 WeakPolarHBondContact CE1-CD1 3.43Å; H976-F996 AromaticContact CE1-CE1 3.25Å; H976-F996 WeakPolarHBondContact CE1-CE1 3.37Å; H976-F996 AromaticContact CE1-CG 3.83Å; H976-F996 AromaticContact CE1-CZ 3.83Å; H976-F996 AromaticContact ND1-CD1 3.99Å; H976-F996 AromaticContact ND1-CE1 3.74Å; H976-F996 AromaticContact NE2-CD1 3.77Å; H976-F996 AromaticContact NE2-CE1 3.49Å; H976-F996 WeakPolarHBondContact NE2-CE1 3.24Å; H976-F996 AromaticContact NE2-CE2 3.89Å; H976-F996 AromaticContact NE2-CZ 3.55Å; H976-G997 WeakPolarHBondContact CE1-CA 3Å; H976-G997 WeakPolarHBondContact NE2-CA 3.48Å; H976-S1000 PolarHBondContact NE2-OG 2.97Å
977	D	98.7	Very high	96.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	-89.7	110.8	-177.4	-65.9	-26.6	0	0	0	111.2	W945 G979 G980 R1004 H1006	W945-D977 VanDerWaalsContact CZ2-OD2 3.32Å; W945-D977 WeakPolarHBondContact CZ2-OD2 3.24Å; W945-D977 PolarHBondContact NE1-OD1 3.22Å; W945-D977 PolarHBondContact NE1-OD2 3.4Å; D977-G979 PolarHBondContact O-N 3.36Å; D977-G980 PolarHBondContact O-N 3.43Å; D977-R1004 VanDerWaalsContact CG-NH2 3.29Å; D977-R1004 IonicContact OD1-CZ 2.66Å; D977-R1004 IonicContact OD1-NE 2.83Å; D977-R1004 PolarHBondContact OD1-NE 2.99Å; D977-R1004 IonicContact OD1-NH2 3.26Å; D977-R1004 PolarHBondContact OD1-NH2 3.01Å; D977-R1004 IonicContact OD2-NH2 2.84Å; D977-R1004 PolarHBondContact OD2-NH2 3.01Å; D977-H1006 HydrophobicContact CB-CB 4.17Å; D977-H1006 WeakPolarHBondContact OD1-CB 3.3Å; D977-H1006 IonicContact OD2-CD2 3.69Å; D977-H1006 PolarHBondContact OD2-CD2 3.44Å; D977-H1006 IonicContact OD2-CG 2.69Å
978	I	98.8	Very high	96.2	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	124	179.2	-68.8	165.2	0	0	0	109.8	G980 Y990 W993 C994 L998 R1004 L1005	I978-G980 VanDerWaalsContact C-N 3.35Å; I978-Y990 HydrophobicContact CG2-CE2 4.32Å; I978-W993 HydrophobicContact CG2-CB 4.37Å; I978-C994 HydrophobicContact CG2-CB 4.2Å; I978-C994 WeakPolarHBondContact CG2-SG 3.12Å; I978-L998 HydrophobicContact CD1-CD2 3.52Å; I978-R1004 WeakPolarHBondContact CB-O 3.47Å; I978-R1004 PolarHBondContact N-O 3.2Å; I978-L1005 HydrophobicContact CB-CD2 3.71Å; I978-L1005 HydrophobicContact CD1-CD2 4.38Å; I978-L1005 HydrophobicContact CG2-CD2 3.52Å
979	G	97.1	Very high	96.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.3	2.8	-177.3	0	0	0	0	0	114.2	A951 D977 A985	A951-G979 WeakPolarHBondContact CB-O 3.3Å; D977-G979 PolarHBondContact O-N 3.36Å; G979-A985 WeakPolarHBondContact O-CB 3.21Å
980	G	96.4	Very high	96.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.11	C	C	.	.			trans	77.8	156.6	-177.5	0	0	0	0	0	113.3	D977 I978 R1012	D977-G980 PolarHBondContact O-N 3.43Å; I978-G980 VanDerWaalsContact C-N 3.35Å; G980-R1012 PolarHBondContact O-NE 2.89Å; G980-R1012 PolarHBondContact O-NH2 3.01Å
981	F	94.4	Very high	96.2	Very high	13 Å²	13	19.1 Å²	19.1	6%	0.057	11%	0.112	C	C	.	.	S	Bend	trans	-86.1	-55.4	178.9	175.2	-102.2	0	0	0	111.6	F743 D948 C949 H1006 S1008 R1012	F743-F981 HydrophobicContact CB-CE2 3.97Å; F743-F981 HydrophobicContact CB-CZ 4.17Å; F743-F981 HydrophobicContact CD1-CE2 4.43Å; F743-F981 AromaticContact CD1-CZ 3.77Å; F743-F981 HydrophobicContact CD1-CZ 3.77Å; F743-F981 HydrophobicContact CG-CZ 4.28Å; D948-F981 HydrophobicContact CB-CD1 3.68Å; D948-F981 HydrophobicContact CB-CE1 4.11Å; D948-F981 HydrophobicContact CB-CG 4.27Å; C949-F981 WeakPolarHBondContact O-CA 3.37Å; C949-F981 WeakPolarHBondContact O-CB 3.27Å; C949-F981 PolarHBondContact O-N 3.04Å; F981-H1006 AromaticContact CD2-CD2 3.72Å; F981-H1006 AromaticContact CD2-NE2 3.68Å; F981-H1006 AromaticContact CE2-NE2 3.45Å; F981-H1006 WeakPolarHBondContact CE2-NE2 3.13Å; F981-S1008 WeakPolarHBondContact O-CB 3.44Å; F981-S1008 PolarHBondContact O-N 3.49Å; F981-R1012 PolarHBondContact O-NH2 3.46Å
982	E	81.6	Confident	96.2	Very high	50 Å²	50	19.4 Å²	19.4	23%	0.234	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-80.2	133.7	-175.3	-151.4	71.9	-127.3	0	0	110.7	C949 Y950 A951 K1009	C949-E982 PolarHBondContact O-N 3.48Å; Y950-E982 HydrophobicContact CD1-CB 3.74Å; Y950-E982 HydrophobicContact CD1-CG 4Å; Y950-E982 HydrophobicContact CE1-CB 3.87Å; Y950-E982 HydrophobicContact CE1-CG 3.59Å; Y950-E982 HydrophobicContact CG-CB 4.15Å; A951-E982 WeakPolarHBondContact CB-O 3.24Å; A951-E982 PolarHBondContact N-O 2.93Å; A951-E982 VanDerWaalsContact N-O 3.09Å; E982-K1009 IonicContact OE1-NZ 3.78Å; E982-K1009 PolarHBondContact OE1-NZ 3.18Å
983	N	83.1	Confident	96.2	Very high	94 Å²	94	19.2 Å²	19.2	50%	0.503	11%	0.111	S	C	.	.	S	Bend	trans	67	178.4	-173.9	-50.6	-41.6	0	0	0	114.7	R1012	N983-R1012 PolarHBondContact O-NH2 2.86Å
984	T	90.2	Very high	96.2	Very high	91 Å²	91	19.1 Å²	19.1	56%	0.558	11%	0.11	S	C	*	.	P	Polyproline II helix	trans	-100.2	123.3	171.9	-60.6	0	0	0	0	108.2	S1010 Y1017	T984-S1010 WeakPolarHBondContact OG1-CB 3.43Å; T984-S1010 PolarHBondContact OG1-OG 3.32Å; T984-Y1017 HydrophobicContact CG2-CE1 4.47Å
985	A	95.4	Very high	96.2	Very high	8 Å²	8	19 Å²	19	7%	0.066	11%	0.111	C	C	.	.	P	Polyproline II helix	trans	-62.5	149.5	179.7	0	0	0	0	0	112.5	A951 G979 V989 Y1017	A951-A985 HydrophobicContact CB-CB 3.79Å; G979-A985 WeakPolarHBondContact O-CB 3.21Å; A985-V989 HydrophobicContact CB-CB 4.38Å; A985-V989 HydrophobicContact CB-CG1 4.42Å; A985-Y1017 HydrophobicContact CB-CE1 3.96Å; A985-Y1017 VanDerWaalsContact O-CE1 3.3Å; A985-Y1017 WeakPolarHBondContact O-CE1 3.31Å
986	P	97.4	Very high	96.2	Very high	64 Å²	64	19 Å²	19	42%	0.416	11%	0.111	S	C	.	.	P	Polyproline II helix	trans	-58.7	147.3	152.5	-19	32	0	0	0	110.4	N988 V989 Y990	P986-N988 PolarHBondContact O-N 3.2Å; P986-V989 HydrophobicContact CB-CG2 4.35Å; P986-V989 HydrophobicContact CG-CG2 4.14Å; P986-V989 PolarHBondContact O-N 3.2Å; P986-V989 VanDerWaalsContact O-N 3.12Å; P986-Y990 PolarHBondContact O-N 3.1Å
987	A	98.4	Very high	96.2	Very high	27 Å²	27	18.9 Å²	18.9	22%	0.223	11%	0.11	C	C	.	.	H	α-helix	trans	-56.7	-37.6	179.4	0	0	0	0	0	112.2	Y990 K991 Y1017 D1018	A987-Y990 PolarHBondContact O-N 3.15Å; A987-K991 WeakPolarHBondContact O-CB 3.07Å; A987-K991 VanDerWaalsContact O-CE 3.3Å; A987-K991 WeakPolarHBondContact O-CE 3.5Å; A987-K991 VanDerWaalsContact O-CG 3.29Å; A987-K991 WeakPolarHBondContact O-CG 3.48Å; A987-K991 PolarHBondContact O-N 3.27Å; A987-Y1017 HydrophobicContact CB-CD1 4.41Å; A987-D1018 WeakPolarHBondContact CB-OD2 3.15Å
988	N	98.7	Very high	96.2	Very high	22 Å²	22	19 Å²	19	12%	0.118	11%	0.111	C	C	.	.	H	α-helix	trans	-61	-45.2	177	59.9	51.7	0	0	0	112.4	Y953 P986 K991 R992 E1088 F1122	Y953-N988 PolarHBondContact OH-OD1 3.16Å; P986-N988 PolarHBondContact O-N 3.2Å; N988-K991 PolarHBondContact O-N 2.9Å; N988-R992 WeakPolarHBondContact O-CG 3.4Å; N988-R992 PolarHBondContact O-N 2.94Å; N988-E1088 HydrophobicContact CB-CB 4.06Å; N988-E1088 HydrophobicContact CB-CG 3.78Å; N988-E1088 PolarHBondContact ND2-OE1 3.5Å; N988-E1088 PolarHBondContact ND2-OE2 3.41Å; N988-F1122 HydrophobicContact CB-CE1 3.85Å; N988-F1122 HydrophobicContact CB-CZ 3.84Å
989	V	98.7	Very high	96.2	Very high	4 Å²	4	19.1 Å²	19.1	2%	0.024	11%	0.111	C	C	.	.	H	α-helix	trans	-62.9	-48.6	176.2	174.4	0	0	0	0	109.6	Y953 A985 P986 K991 R992 W993	Y953-V989 HydrophobicContact CD1-CG2 4.27Å; Y953-V989 HydrophobicContact CD2-CG2 4.21Å; Y953-V989 HydrophobicContact CE1-CB 4.41Å; Y953-V989 HydrophobicContact CE1-CG2 3.99Å; Y953-V989 HydrophobicContact CE2-CG2 3.93Å; Y953-V989 HydrophobicContact CG-CG2 4.37Å; A985-V989 HydrophobicContact CB-CB 4.38Å; A985-V989 HydrophobicContact CB-CG1 4.42Å; P986-V989 HydrophobicContact CB-CG2 4.35Å; P986-V989 HydrophobicContact CG-CG2 4.14Å; P986-V989 PolarHBondContact O-N 3.2Å; P986-V989 VanDerWaalsContact O-N 3.12Å; V989-K991 PolarHBondContact O-N 3.32Å; V989-R992 PolarHBondContact O-N 3Å; V989-W993 HydrophobicContact CG1-CE3 3.93Å; V989-W993 HydrophobicContact CG1-CZ3 4.41Å; V989-W993 WeakPolarHBondContact O-CB 3.33Å; V989-W993 PolarHBondContact O-N 3.14Å
990	Y	98.8	Very high	96.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-55.3	-48.9	178.2	177.3	-93.5	0	0	0	111.9	I978 P986 A987 W993 C994 L1005 R1012 P1014 Y1017 V1025	I978-Y990 HydrophobicContact CG2-CE2 4.32Å; P986-Y990 PolarHBondContact O-N 3.1Å; A987-Y990 PolarHBondContact O-N 3.15Å; Y990-W993 PolarHBondContact O-N 3.22Å; Y990-C994 WeakPolarHBondContact CE1-SG 3.17Å; Y990-C994 VanDerWaalsContact CZ-SG 3.58Å; Y990-C994 PolarHBondContact O-N 3.31Å; Y990-C994 PolarHBondContact O-SG 3.34Å; Y990-L1005 HydrophobicContact CE2-CD2 3.82Å; Y990-L1005 WeakPolarHBondContact OH-CD2 3.28Å; Y990-R1012 PolarHBondContact OH-O 3.42Å; Y990-R1012 VanDerWaalsContact OH-O 3.08Å; Y990-P1014 HydrophobicContact CE1-CB 4.09Å; Y990-Y1017 AromaticContact CD1-CD2 3.84Å; Y990-Y1017 HydrophobicContact CD1-CD2 3.84Å; Y990-Y1017 HydrophobicContact CD1-CE2 4.08Å; Y990-Y1017 HydrophobicContact CD1-CG 4.11Å; Y990-Y1017 HydrophobicContact CD2-CD2 4.01Å; Y990-Y1017 HydrophobicContact CD2-CE1 4.09Å; Y990-Y1017 AromaticContact CD2-CE2 3.36Å; Y990-Y1017 HydrophobicContact CD2-CE2 3.36Å; Y990-Y1017 AromaticContact CD2-CZ 3.4Å; Y990-Y1017 AromaticContact CE1-CD2 3.98Å; Y990-Y1017 HydrophobicContact CE1-CD2 3.98Å; Y990-Y1017 HydrophobicContact CE1-CE2 4.2Å; Y990-Y1017 HydrophobicContact CE2-CD2 4.12Å; Y990-Y1017 AromaticContact CE2-CE2 3.48Å; Y990-Y1017 HydrophobicContact CE2-CE2 3.48Å; Y990-Y1017 VanDerWaalsContact CE2-CE2 3.48Å; Y990-Y1017 AromaticContact CE2-CZ 3.97Å; Y990-Y1017 HydrophobicContact CG-CD1 4.16Å; Y990-Y1017 AromaticContact CG-CD2 3.86Å; Y990-Y1017 HydrophobicContact CG-CD2 3.86Å; Y990-Y1017 AromaticContact CG-CE1 3.97Å; Y990-Y1017 HydrophobicContact CG-CE1 3.97Å; Y990-Y1017 AromaticContact CG-CE2 3.68Å; Y990-Y1017 HydrophobicContact CG-CE2 3.68Å; Y990-Y1017 HydrophobicContact CG-CG 4.1Å; Y990-Y1017 AromaticContact CG-CZ 3.72Å; Y990-Y1017 AromaticContact CZ-CE2 3.91Å; Y990-V1025 HydrophobicContact CE1-CG2 4.24Å
991	K	98.9	Very high	96.4	Very high	9 Å²	9	19.2 Å²	19.2	4%	0.039	11%	0.112	C	C	.	.	H	α-helix	trans	-61.7	-45.2	179.5	-73.9	179.7	-70.6	-157.7	0	112.4	A987 N988 V989 W993 C994 A995 D1018 E1020 S1021 V1024 F1122	A987-K991 WeakPolarHBondContact O-CB 3.07Å; A987-K991 VanDerWaalsContact O-CE 3.3Å; A987-K991 WeakPolarHBondContact O-CE 3.5Å; A987-K991 VanDerWaalsContact O-CG 3.29Å; A987-K991 WeakPolarHBondContact O-CG 3.48Å; A987-K991 PolarHBondContact O-N 3.27Å; N988-K991 PolarHBondContact O-N 2.9Å; V989-K991 PolarHBondContact O-N 3.32Å; K991-W993 VanDerWaalsContact C-N 3.3Å; K991-W993 PolarHBondContact O-N 3.35Å; K991-C994 WeakPolarHBondContact O-CB 3.29Å; K991-C994 PolarHBondContact O-N 3.28Å; K991-A995 PolarHBondContact O-N 2.9Å; K991-D1018 IonicContact NZ-OD1 3.01Å; K991-D1018 IonicContact NZ-OD2 2.68Å; K991-D1018 PolarHBondContact NZ-OD2 2.89Å; K991-E1020 HydrophobicContact CD-CB 4.33Å; K991-E1020 HydrophobicContact CD-CG 4.13Å; K991-E1020 IonicContact NZ-OE2 3.77Å; K991-E1020 PolarHBondContact NZ-OE2 3.17Å; K991-S1021 WeakPolarHBondContact CG-OG 3.5Å; K991-V1024 HydrophobicContact CB-CG1 4.37Å; K991-V1024 HydrophobicContact CB-CG2 4.26Å; K991-V1024 HydrophobicContact CD-CG2 4.18Å; K991-V1024 HydrophobicContact CG-CB 4.41Å; K991-V1024 HydrophobicContact CG-CG2 4.05Å; K991-F1122 HydrophobicContact CB-CB 4.18Å; K991-F1122 HydrophobicContact CB-CD1 3.56Å; K991-F1122 HydrophobicContact CB-CE1 4.23Å; K991-F1122 HydrophobicContact CB-CG 4.05Å; K991-F1122 HydrophobicContact CD-CB 4.13Å; K991-F1122 HydrophobicContact CD-CD1 4.14Å; K991-F1122 HydrophobicContact CD-CD2 4.22Å; K991-F1122 HydrophobicContact CD-CG 3.9Å; K991-F1122 HydrophobicContact CG-CD1 4.43Å
992	R	98.8	Very high	96.6	Very high	8 Å²	8	18.6 Å²	18.6	3%	0.03	11%	0.11	C	C	.	.	H	α-helix	trans	-62.9	-39.1	175.5	-64.6	-43.1	-176.7	-180	-9.6	112	Y953 N988 V989 A995 F996 V1085 T1087 E1088 H1120 G1121 F1122	Y953-R992 HydrophobicContact CE1-CB 4.03Å; Y953-R992 HydrophobicContact CE1-CG 3.85Å; N988-R992 WeakPolarHBondContact O-CG 3.4Å; N988-R992 PolarHBondContact O-N 2.94Å; V989-R992 PolarHBondContact O-N 3Å; R992-A995 PolarHBondContact O-N 3.44Å; R992-F996 PolarHBondContact O-N 2.84Å; R992-V1085 WeakPolarHBondContact CB-O 3.36Å; R992-V1085 WeakPolarHBondContact CG-O 3.21Å; R992-T1087 PolarHBondContact NE-O 2.96Å; R992-E1088 PolarHBondContact NH2-O 3.46Å; R992-H1120 PolarHBondContact NH1-O 3.29Å; R992-H1120 VanDerWaalsContact NH1-O 3.1Å; R992-H1120 PolarHBondContact NH2-O 2.92Å; R992-G1121 PolarHBondContact NH1-O 3.4Å; R992-F1122 HydrophobicContact CG-CE1 4.44Å
993	W	98.8	Very high	97.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-70.5	-32.3	179.1	-145	-34.7	0	0	0	112.3	C949 Y950 M956 H976 I978 V989 Y990 K991 A995 F996 G997	C949-W993 HydrophobicContact CB-CH2 4.23Å; Y950-W993 WeakPolarHBondContact O-CH2 3.44Å; Y950-W993 WeakPolarHBondContact O-CZ3 3.08Å; M956-W993 HydrophobicContact CB-CD2 4.02Å; M956-W993 HydrophobicContact CB-CE3 3.93Å; M956-W993 HydrophobicContact CB-CH2 3.99Å; M956-W993 HydrophobicContact CB-CZ2 4.07Å; M956-W993 HydrophobicContact CB-CZ3 3.91Å; M956-W993 HydrophobicContact CE-CB 4.44Å; M956-W993 HydrophobicContact CE-CG 4.4Å; M956-W993 HydrophobicContact CG-CD2 3.71Å; M956-W993 HydrophobicContact CG-CE3 4.1Å; M956-W993 HydrophobicContact CG-CG 4Å; M956-W993 HydrophobicContact CG-CZ2 4.22Å; M956-W993 HydrophobicContact SD-CB 4.06Å; M956-W993 HydrophobicContact SD-CD2 4.08Å; M956-W993 HydrophobicContact SD-CE3 4.38Å; M956-W993 HydrophobicContact SD-CG 3.94Å; H976-W993 AromaticContact CE1-CD1 3.5Å; H976-W993 AromaticContact CE1-NE1 3.28Å; H976-W993 PolarHBondContact CE1-NE1 2.76Å; H976-W993 VanDerWaalsContact CE1-NE1 3.28Å; H976-W993 AromaticContact ND1-CD1 3.49Å; H976-W993 AromaticContact ND1-CE2 3.95Å; H976-W993 AromaticContact ND1-NE1 2.83Å; H976-W993 PolarHBondContact ND1-NE1 3.48Å; I978-W993 HydrophobicContact CG2-CB 4.37Å; V989-W993 HydrophobicContact CG1-CE3 3.93Å; V989-W993 HydrophobicContact CG1-CZ3 4.41Å; V989-W993 WeakPolarHBondContact O-CB 3.33Å; V989-W993 PolarHBondContact O-N 3.14Å; Y990-W993 PolarHBondContact O-N 3.22Å; K991-W993 VanDerWaalsContact C-N 3.3Å; K991-W993 PolarHBondContact O-N 3.35Å; W993-A995 PolarHBondContact O-N 3.18Å; W993-F996 AromaticContact CD1-CD1 3.75Å; W993-F996 AromaticContact NE1-CD1 3.78Å; W993-F996 PolarHBondContact O-N 3.49Å; W993-G997 PolarHBondContact O-N 3.02Å
994	C	98.9	Very high	98.2	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.007	8%	0.075	C	C	.	.	H	α-helix	trans	-58.4	-48.6	173.2	-70.4	0	0	0	0	111.4	I978 Y990 K991 F996 G997 L998 V1024 V1025	I978-C994 HydrophobicContact CG2-CB 4.2Å; I978-C994 WeakPolarHBondContact CG2-SG 3.12Å; Y990-C994 WeakPolarHBondContact CE1-SG 3.17Å; Y990-C994 VanDerWaalsContact CZ-SG 3.58Å; Y990-C994 PolarHBondContact O-N 3.31Å; Y990-C994 PolarHBondContact O-SG 3.34Å; K991-C994 WeakPolarHBondContact O-CB 3.29Å; K991-C994 PolarHBondContact O-N 3.28Å; C994-F996 PolarHBondContact O-N 3.19Å; C994-G997 PolarHBondContact O-N 2.96Å; C994-L998 WeakPolarHBondContact O-CB 3.43Å; C994-L998 PolarHBondContact O-N 3.26Å; C994-V1024 HydrophobicContact CB-CG1 3.66Å; C994-V1025 HydrophobicContact CB-CG2 4.47Å
995	A	98.9	Very high	98.6	Very high	4 Å²	4	7.5 Å²	7.5	3%	0.033	5%	0.048	C	C	.	.	H	α-helix	trans	-57.8	-48.5	177.3	0	0	0	0	0	111.8	K991 R992 W993 L999 F1028 L1125	K991-A995 PolarHBondContact O-N 2.9Å; R992-A995 PolarHBondContact O-N 3.44Å; W993-A995 PolarHBondContact O-N 3.18Å; A995-L999 WeakPolarHBondContact O-CB 3.47Å; A995-L999 PolarHBondContact O-N 2.87Å; A995-F1028 HydrophobicContact CB-CD1 4.3Å; A995-F1028 HydrophobicContact CB-CD2 3.88Å; A995-F1028 HydrophobicContact CB-CE1 3.9Å; A995-F1028 HydrophobicContact CB-CE2 3.44Å; A995-F1028 VanDerWaalsContact CB-CE2 3.44Å; A995-F1028 HydrophobicContact CB-CG 4.31Å; A995-F1028 HydrophobicContact CB-CZ 3.46Å; A995-F1028 VanDerWaalsContact CB-CZ 3.46Å; A995-L1125 HydrophobicContact CB-CD1 4.14Å; A995-L1125 HydrophobicContact CB-CD2 4.13Å
996	F	98.9	Very high	98.7	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-60.8	-47.5	176.2	170.4	-142.1	0	0	0	112.6	M956 L960 W974 H976 R992 W993 C994 L998 L999 S1000 M1054 Y1074 P1084	M956-F996 HydrophobicContact CE-CB 3.44Å; M956-F996 VanDerWaalsContact CE-CB 3.44Å; M956-F996 HydrophobicContact CE-CD1 3.63Å; M956-F996 HydrophobicContact CE-CG 3.85Å; M956-F996 HydrophobicContact CG-CD1 4.04Å; M956-F996 HydrophobicContact CG-CE1 4.46Å; L960-F996 HydrophobicContact CB-CE1 4.31Å; L960-F996 HydrophobicContact CB-CZ 3.87Å; L960-F996 HydrophobicContact CD1-CE2 3.77Å; L960-F996 HydrophobicContact CD1-CZ 3.8Å; L960-F996 HydrophobicContact CG-CZ 4.36Å; W974-F996 HydrophobicContact CH2-CZ 4.44Å; W974-F996 AromaticContact CZ3-CZ 3.98Å; W974-F996 HydrophobicContact CZ3-CZ 3.98Å; H976-F996 AromaticContact CE1-CD1 3.24Å; H976-F996 WeakPolarHBondContact CE1-CD1 3.43Å; H976-F996 AromaticContact CE1-CE1 3.25Å; H976-F996 WeakPolarHBondContact CE1-CE1 3.37Å; H976-F996 AromaticContact CE1-CG 3.83Å; H976-F996 AromaticContact CE1-CZ 3.83Å; H976-F996 AromaticContact ND1-CD1 3.99Å; H976-F996 AromaticContact ND1-CE1 3.74Å; H976-F996 AromaticContact NE2-CD1 3.77Å; H976-F996 AromaticContact NE2-CE1 3.49Å; H976-F996 WeakPolarHBondContact NE2-CE1 3.24Å; H976-F996 AromaticContact NE2-CE2 3.89Å; H976-F996 AromaticContact NE2-CZ 3.55Å; R992-F996 PolarHBondContact O-N 2.84Å; W993-F996 AromaticContact CD1-CD1 3.75Å; W993-F996 AromaticContact NE1-CD1 3.78Å; W993-F996 PolarHBondContact O-N 3.49Å; C994-F996 PolarHBondContact O-N 3.19Å; F996-L998 PolarHBondContact O-N 3.38Å; F996-L999 CarbonylContact O-C 3.59Å; F996-L999 PolarHBondContact O-N 2.89Å; F996-S1000 PolarHBondContact O-N 2.92Å; F996-S1000 VanDerWaalsContact O-N 3.14Å; F996-S1000 PolarHBondContact O-OG 3.47Å; F996-M1054 HydrophobicContact CE2-CE 3.7Å; F996-M1054 HydrophobicContact CZ-CE 4.32Å; F996-Y1074 AromaticContact CD2-CE1 3.92Å; F996-Y1074 HydrophobicContact CD2-CE1 3.92Å; F996-Y1074 AromaticContact CE2-CE1 3.82Å; F996-Y1074 HydrophobicContact CE2-CE1 3.82Å; F996-P1084 HydrophobicContact CB-CB 4.15Å; F996-P1084 HydrophobicContact CB-CG 4.11Å; F996-P1084 HydrophobicContact CD2-CG 3.67Å; F996-P1084 HydrophobicContact CE2-CG 4.35Å; F996-P1084 HydrophobicContact CG-CB 4.33Å; F996-P1084 HydrophobicContact CG-CG 3.96Å
997	G	98.8	Very high	98.7	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-65.7	-39.2	-176.3	0	0	0	0	0	113.4	H976 W993 C994 L999 S1000 S1003	H976-G997 WeakPolarHBondContact CE1-CA 3Å; H976-G997 WeakPolarHBondContact NE2-CA 3.48Å; W993-G997 PolarHBondContact O-N 3.02Å; C994-G997 PolarHBondContact O-N 2.96Å; G997-L999 VanDerWaalsContact C-N 3.28Å; G997-L999 PolarHBondContact O-N 3.3Å; G997-S1000 WeakPolarHBondContact O-CB 3.41Å; G997-S1000 PolarHBondContact O-N 2.9Å; G997-S1003 WeakPolarHBondContact O-CB 3.36Å; G997-S1003 PolarHBondContact O-OG 3.39Å
998	L	98.9	Very high	98.5	Very high	4 Å²	4	3 Å²	3	2%	0.021	2%	0.017	C	C	.	.	H	α-helix	trans	-75.8	-18.1	176.8	-86.2	-72.6	0	0	0	112.8	L737 I978 C994 F996 F1028 T1029 K1032	L737-L998 HydrophobicContact CD1-CD2 4.09Å; I978-L998 HydrophobicContact CD1-CD2 3.52Å; C994-L998 WeakPolarHBondContact O-CB 3.43Å; C994-L998 PolarHBondContact O-N 3.26Å; F996-L998 PolarHBondContact O-N 3.38Å; L998-F1028 HydrophobicContact CB-CB 3.61Å; L998-F1028 HydrophobicContact CG-CB 3.87Å; L998-T1029 HydrophobicContact CD1-CG2 4.37Å; L998-K1032 HydrophobicContact CD1-CB 4.16Å; L998-K1032 HydrophobicContact CD1-CD 3.94Å; L998-K1032 WeakPolarHBondContact O-CD 3.29Å; L998-K1032 WeakPolarHBondContact O-CE 3.33Å; L998-K1032 WeakPolarHBondContact O-CG 3.5Å
999	L	98.9	Very high	98.3	Very high	2 Å²	2	8.1 Å²	8.1	1%	0.01	4%	0.038	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	15.6	169.4	-69	166.1	0	0	0	112.9	A995 F996 G997 F1028 L1031 M1035 Y1074 L1076 V1082 L1125 V1127	A995-L999 WeakPolarHBondContact O-CB 3.47Å; A995-L999 PolarHBondContact O-N 2.87Å; F996-L999 CarbonylContact O-C 3.59Å; F996-L999 PolarHBondContact O-N 2.89Å; G997-L999 VanDerWaalsContact C-N 3.28Å; G997-L999 PolarHBondContact O-N 3.3Å; L999-F1028 HydrophobicContact CD1-CD1 4.46Å; L999-F1028 HydrophobicContact CD1-CE1 4.32Å; L999-L1031 HydrophobicContact CD2-CD2 4.44Å; L999-M1035 HydrophobicContact CD2-SD 4.15Å; L999-Y1074 WeakPolarHBondContact O-CE2 3.3Å; L999-Y1074 PolarHBondContact O-OH 3.08Å; L999-L1076 HydrophobicContact CB-CD2 4.37Å; L999-L1076 HydrophobicContact CD2-CD2 4.12Å; L999-L1076 VanDerWaalsContact O-CD2 3.3Å; L999-L1076 WeakPolarHBondContact O-CD2 3.34Å; L999-V1082 HydrophobicContact CB-CG1 4.18Å; L999-V1082 HydrophobicContact CB-CG2 4.41Å; L999-V1082 HydrophobicContact CD1-CG1 3.86Å; L999-V1082 HydrophobicContact CD1-CG2 4.4Å; L999-L1125 HydrophobicContact CD1-CD1 4.02Å; L999-L1125 HydrophobicContact CD1-CD2 3.82Å; L999-L1125 HydrophobicContact CD1-CG 4.35Å; L999-V1127 HydrophobicContact CD1-CG2 3.71Å
1000	S	98.9	Very high	98	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.044	C	C	.	.	S	Bend	trans	-97.5	169.5	166.8	-55.3	0	0	0	0	110.4	H976 F996 G997 H1002 K1032 M1054	H976-S1000 PolarHBondContact NE2-OG 2.97Å; F996-S1000 PolarHBondContact O-N 2.92Å; F996-S1000 VanDerWaalsContact O-N 3.14Å; F996-S1000 PolarHBondContact O-OG 3.47Å; G997-S1000 WeakPolarHBondContact O-CB 3.41Å; G997-S1000 PolarHBondContact O-N 2.9Å; S1000-H1002 PolarHBondContact O-N 3.48Å; S1000-K1032 VanDerWaalsContact O-CE 3.31Å; S1000-K1032 WeakPolarHBondContact O-CE 3.49Å; S1000-K1032 PolarHBondContact O-NZ 3.47Å; S1000-M1054 VanDerWaalsContact OG-CE 3.31Å; S1000-M1054 WeakPolarHBondContact OG-CE 3.4Å
1001	S	98.8	Very high	97.9	Very high	3 Å²	3	11.6 Å²	11.6	2%	0.021	5%	0.054	C	C	.	.	S	Bend	trans	-59.3	-48.5	178.8	76.1	0	0	0	0	111.8	F735 W974 K1032	F735-S1001 VanDerWaalsContact CD1-O 3.31Å; F735-S1001 WeakPolarHBondContact CD1-O 3.24Å; W974-S1001 PolarHBondContact N-OG 3.29Å; W974-S1001 PolarHBondContact O-OG 2.79Å; S1001-K1032 PolarHBondContact O-NZ 3.48Å
1002	H	98.9	Very high	97.9	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.052	C	C	.	.	S	Bend	trans	-128.8	141.3	-177	-72.6	74.8	0	0	0	110.1	S734 F735 V943 F973 W974 S975 S1000	S734-H1002 PolarHBondContact O-CD2 2.71Å; S734-H1002 PolarHBondContact OG-NE2 2.69Å; F735-H1002 AromaticContact CZ-CE1 3.83Å; V943-H1002 HydrophobicContact CG1-CB 3.9Å; V943-H1002 WeakPolarHBondContact CG2-CE1 3.14Å; V943-H1002 VanDerWaalsContact CG2-NE2 3.31Å; V943-H1002 WeakPolarHBondContact CG2-NE2 3.46Å; F973-H1002 AromaticContact CD1-CE1 3.93Å; W974-H1002 PolarHBondContact O-N 2.89Å; S975-H1002 WeakPolarHBondContact CB-O 3.37Å; S975-H1002 VanDerWaalsContact OG-C 3.26Å; S975-H1002 PolarHBondContact OG-O 2.91Å; S1000-H1002 PolarHBondContact O-N 3.48Å
1003	S	98.9	Very high	97.8	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	115.8	-162.9	-51.6	0	0	0	0	111.5	W738 G997 K1032	W738-S1003 WeakPolarHBondContact CB-O 3.44Å; W738-S1003 PolarHBondContact N-O 2.93Å; G997-S1003 WeakPolarHBondContact O-CB 3.36Å; G997-S1003 PolarHBondContact O-OG 3.39Å; S1003-K1032 PolarHBondContact OG-NZ 2.85Å
1004	R	98.9	Very high	97.8	Very high	1 Å²	1	11 Å²	11	0%	0.004	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	137.2	-177	-171.6	176.7	75.3	170.4	3.6	113.1	W738 T740 F930 W945 D977 I978 H1006	W738-R1004 HydrophobicContact CB-CB 4Å; W738-R1004 HydrophobicContact CB-CG 3.87Å; W738-R1004 WeakPolarHBondContact O-CA 3.47Å; T740-R1004 HydrophobicContact CG2-CG 3.81Å; F930-R1004 HydrophobicContact CE1-CB 4.15Å; F930-R1004 HydrophobicContact CZ-CB 3.84Å; F930-R1004 HydrophobicContact CZ-CG 4.45Å; W945-R1004 VanDerWaalsContact CE2-NH2 3.27Å; D977-R1004 VanDerWaalsContact CG-NH2 3.29Å; D977-R1004 IonicContact OD1-CZ 2.66Å; D977-R1004 IonicContact OD1-NE 2.83Å; D977-R1004 PolarHBondContact OD1-NE 2.99Å; D977-R1004 IonicContact OD1-NH2 3.26Å; D977-R1004 PolarHBondContact OD1-NH2 3.01Å; D977-R1004 IonicContact OD2-NH2 2.84Å; D977-R1004 PolarHBondContact OD2-NH2 3.01Å; I978-R1004 WeakPolarHBondContact CB-O 3.47Å; I978-R1004 PolarHBondContact N-O 3.2Å; R1004-H1006 HydrophobicContact CG-CB 4.17Å; R1004-H1006 PolarHBondContact NH2-CD2 3.22Å
1005	L	98.8	Very high	97.8	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.005	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	101.1	170.5	-71.4	166.9	0	0	0	109.5	L737 W738 L739 T740 I978 Y990 R1012	L737-L1005 HydrophobicContact CD1-CD1 3.91Å; L737-L1005 HydrophobicContact CD1-CG 4.09Å; L737-L1005 HydrophobicContact CD2-CD1 4Å; L737-L1005 HydrophobicContact CG-CD1 4.27Å; W738-L1005 PolarHBondContact O-N 3.12Å; L739-L1005 HydrophobicContact CD1-CB 3.7Å; L739-L1005 HydrophobicContact CD1-CD1 4.13Å; T740-L1005 WeakPolarHBondContact CG2-O 3.15Å; T740-L1005 PolarHBondContact N-O 3.22Å; T740-L1005 PolarHBondContact OG1-O 3.11Å; T740-L1005 VanDerWaalsContact OG1-O 3.05Å; I978-L1005 HydrophobicContact CB-CD2 3.71Å; I978-L1005 HydrophobicContact CD1-CD2 4.38Å; I978-L1005 HydrophobicContact CG2-CD2 3.52Å; Y990-L1005 HydrophobicContact CE2-CD2 3.82Å; Y990-L1005 WeakPolarHBondContact OH-CD2 3.28Å; L1005-R1012 HydrophobicContact CB-CB 3.8Å; L1005-R1012 HydrophobicContact CD2-CB 4.19Å; L1005-R1012 WeakPolarHBondContact CD2-O 3.33Å
1006	H	98.5	Very high	97.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.088	C	C	.	.			trans	-140.7	139	-176.4	-174.8	49.2	0	0	0	112.8	T740 D772 D977 F981 R1004 R1012	T740-H1006 HydrophobicContact CG2-CB 3.66Å; T740-H1006 WeakPolarHBondContact OG1-CA 3.49Å; T740-H1006 PolarHBondContact OG1-ND1 3.47Å; D772-H1006 IonicContact OD2-CE1 3.81Å; D772-H1006 PolarHBondContact OD2-CE1 3.08Å; D772-H1006 IonicContact OD2-NE2 2.61Å; D977-H1006 HydrophobicContact CB-CB 4.17Å; D977-H1006 WeakPolarHBondContact OD1-CB 3.3Å; D977-H1006 IonicContact OD2-CD2 3.69Å; D977-H1006 PolarHBondContact OD2-CD2 3.44Å; D977-H1006 IonicContact OD2-CG 2.69Å; F981-H1006 AromaticContact CD2-CD2 3.72Å; F981-H1006 AromaticContact CD2-NE2 3.68Å; F981-H1006 AromaticContact CE2-NE2 3.45Å; F981-H1006 WeakPolarHBondContact CE2-NE2 3.13Å; R1004-H1006 HydrophobicContact CG-CB 4.17Å; R1004-H1006 PolarHBondContact NH2-CD2 3.22Å; H1006-R1012 WeakPolarHBondContact O-CG 3.43Å
1007	G	95.8	Very high	97.6	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.095	C	C	.	.			trans	-143.3	162.6	-177.4	0	0	0	0	0	113	S742 F743	S742-G1007 CarbonylContact C-O 3.56Å; S742-G1007 VanDerWaalsContact CA-O 3.28Å; S742-G1007 WeakPolarHBondContact CA-O 3.23Å; S742-G1007 WeakPolarHBondContact CB-O 3.36Å; S742-G1007 PolarHBondContact OG-N 3.03Å; S742-G1007 PolarHBondContact OG-O 2.83Å; F743-G1007 PolarHBondContact N-O 2.95Å
1008	S	95.2	Very high	97.6	Very high	5 Å²	5	21.4 Å²	21.4	4%	0.035	11%	0.108	C	C	.	.	S	Bend	trans	-77.5	-66.5	-177.6	179.4	0	0	0	0	112.6	F743 T744 F981	F743-S1008 PolarHBondContact N-O 3.27Å; T744-S1008 PolarHBondContact N-O 3.48Å; T744-S1008 PolarHBondContact OG1-O 3.33Å; F981-S1008 WeakPolarHBondContact O-CB 3.44Å; F981-S1008 PolarHBondContact O-N 3.49Å
1009	K	93.9	Very high	97.6	Very high	129 Å²	129	27.5 Å²	27.5	56%	0.561	14%	0.141	S	C	*	.	S	Bend	trans	-113	-3.3	-171.3	-61.3	166.6	-166	69.6	0	113.2	T744 E982	T744-K1009 WeakPolarHBondContact OG1-CG 3.36Å; E982-K1009 IonicContact OE1-NZ 3.78Å; E982-K1009 PolarHBondContact OE1-NZ 3.18Å
1010	S	93.2	Very high	97.6	Very high	23 Å²	23	31.1 Å²	31.1	16%	0.161	16%	0.158	C	C	.	.	S	Bend	trans	-138.2	150.2	-177.1	50.8	0	0	0	0	110.4	S742 T984 R1012	S742-S1010 WeakPolarHBondContact CB-O 3.36Å; S742-S1010 PolarHBondContact OG-O 2.94Å; T984-S1010 WeakPolarHBondContact OG1-CB 3.43Å; T984-S1010 PolarHBondContact OG1-OG 3.32Å; S1010-R1012 PolarHBondContact O-NH1 3.3Å; S1010-R1012 PolarHBondContact OG-NH1 3.41Å
1011	Y	96	Very high	97.6	Very high	53 Å²	53	31.1 Å²	31.1	21%	0.208	16%	0.158	C	C	.	.			trans	-66.3	155.2	173.7	-62.6	-71	0	0	0	111.5	T741 S742 T745 N746 T751 F755	T741-Y1011 WeakPolarHBondContact O-CE1 3.48Å; S742-Y1011 WeakPolarHBondContact OG-CA 3.23Å; T745-Y1011 HydrophobicContact CG2-CD1 4.19Å; T745-Y1011 HydrophobicContact CG2-CD2 4.22Å; T745-Y1011 HydrophobicContact CG2-CE1 3.91Å; T745-Y1011 HydrophobicContact CG2-CE2 3.96Å; T745-Y1011 HydrophobicContact CG2-CG 4.35Å; N746-Y1011 PolarHBondContact O-OH 3.4Å; T751-Y1011 WeakPolarHBondContact CG2-OH 3.35Å; F755-Y1011 HydrophobicContact CD2-CD1 4.22Å; F755-Y1011 HydrophobicContact CD2-CE1 4.16Å; F755-Y1011 HydrophobicContact CE1-CD1 4.28Å; F755-Y1011 HydrophobicContact CE1-CD2 4.17Å; F755-Y1011 HydrophobicContact CE1-CG 4.02Å; F755-Y1011 AromaticContact CE2-CD1 3.36Å; F755-Y1011 HydrophobicContact CE2-CD1 3.36Å; F755-Y1011 HydrophobicContact CE2-CD2 4.22Å; F755-Y1011 AromaticContact CE2-CE1 3.1Å; F755-Y1011 HydrophobicContact CE2-CE1 3.1Å; F755-Y1011 HydrophobicContact CE2-CE2 4.01Å; F755-Y1011 AromaticContact CE2-CG 3.9Å; F755-Y1011 HydrophobicContact CE2-CG 3.9Å; F755-Y1011 AromaticContact CE2-CZ 3.43Å; F755-Y1011 VanDerWaalsContact CE2-CZ 3.43Å; F755-Y1011 AromaticContact CZ-CD1 3.42Å; F755-Y1011 HydrophobicContact CZ-CD1 3.42Å; F755-Y1011 VanDerWaalsContact CZ-CD1 3.42Å; F755-Y1011 AromaticContact CZ-CD2 3.46Å; F755-Y1011 HydrophobicContact CZ-CD2 3.46Å; F755-Y1011 VanDerWaalsContact CZ-CD2 3.46Å; F755-Y1011 AromaticContact CZ-CE1 3.42Å; F755-Y1011 HydrophobicContact CZ-CE1 3.42Å; F755-Y1011 VanDerWaalsContact CZ-CE1 3.42Å; F755-Y1011 AromaticContact CZ-CE2 3.46Å; F755-Y1011 HydrophobicContact CZ-CE2 3.46Å; F755-Y1011 VanDerWaalsContact CZ-CE2 3.46Å; F755-Y1011 AromaticContact CZ-CG 3.42Å; F755-Y1011 HydrophobicContact CZ-CG 3.42Å; F755-Y1011 VanDerWaalsContact CZ-CG 3.42Å; F755-Y1011 AromaticContact CZ-CZ 3.4Å; F755-Y1011 VanDerWaalsContact CZ-CZ 3.4Å
1012	R	98.1	Very high	97.6	Very high	1 Å²	1	31.3 Å²	31.3	0%	0.004	16%	0.159	C	C	.	.			trans	-110	27.1	175.7	-68.7	-67.5	176.3	-93.1	-0.6	112.8	G980 F981 N983 Y990 L1005 H1006 S1010 Y1017	G980-R1012 PolarHBondContact O-NE 2.89Å; G980-R1012 PolarHBondContact O-NH2 3.01Å; F981-R1012 PolarHBondContact O-NH2 3.46Å; N983-R1012 PolarHBondContact O-NH2 2.86Å; Y990-R1012 PolarHBondContact OH-O 3.42Å; Y990-R1012 VanDerWaalsContact OH-O 3.08Å; L1005-R1012 HydrophobicContact CB-CB 3.8Å; L1005-R1012 HydrophobicContact CD2-CB 4.19Å; L1005-R1012 WeakPolarHBondContact CD2-O 3.33Å; H1006-R1012 WeakPolarHBondContact O-CG 3.43Å; S1010-R1012 PolarHBondContact O-NH1 3.3Å; S1010-R1012 PolarHBondContact OG-NH1 3.41Å; R1012-Y1017 VanDerWaalsContact CD-OH 3.31Å; R1012-Y1017 WeakPolarHBondContact CD-OH 3.34Å; R1012-Y1017 PolarHBondContact NH1-OH 3.36Å
1013	V	98.2	Very high	97.6	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.024	18%	0.176	C	C	.	.			trans	-73.1	139.3	169.6	-66.9	0	0	0	0	109.7	L739 F755 W1015 A1016	L739-V1013 HydrophobicContact CD1-CG1 4.14Å; L739-V1013 HydrophobicContact CD2-CG1 4.02Å; F755-V1013 HydrophobicContact CB-CG1 4.2Å; F755-V1013 HydrophobicContact CD1-CG1 3.64Å; F755-V1013 HydrophobicContact CD1-CG2 4.2Å; F755-V1013 HydrophobicContact CE1-CG1 4.35Å; F755-V1013 HydrophobicContact CE1-CG2 4.2Å; F755-V1013 HydrophobicContact CG-CG1 4.07Å; V1013-W1015 VanDerWaalsContact C-N 3.31Å; V1013-W1015 HydrophobicContact CB-CD2 3.85Å; V1013-W1015 HydrophobicContact CB-CE3 3.82Å; V1013-W1015 HydrophobicContact CB-CH2 3.62Å; V1013-W1015 HydrophobicContact CB-CZ2 3.66Å; V1013-W1015 HydrophobicContact CB-CZ3 3.69Å; V1013-W1015 HydrophobicContact CG1-CH2 3.56Å; V1013-W1015 HydrophobicContact CG1-CZ2 3.78Å; V1013-W1015 HydrophobicContact CG1-CZ3 4.01Å; V1013-W1015 HydrophobicContact CG2-CD2 3.85Å; V1013-W1015 VanDerWaalsContact CG2-CE2 3.45Å; V1013-W1015 HydrophobicContact CG2-CE3 4.35Å; V1013-W1015 HydrophobicContact CG2-CG 4.36Å; V1013-W1015 HydrophobicContact CG2-CH2 4.2Å; V1013-W1015 HydrophobicContact CG2-CZ2 3.7Å; V1013-W1015 HydrophobicContact CG2-CZ3 4.5Å; V1013-W1015 PolarHBondContact O-N 3.49Å; V1013-A1016 HydrophobicContact CG2-CB 4.09Å; V1013-A1016 VanDerWaalsContact O-CB 3.26Å; V1013-A1016 WeakPolarHBondContact O-CB 3.37Å; V1013-A1016 PolarHBondContact O-N 3.28Å; V1013-A1016 VanDerWaalsContact O-N 3.08Å
1014	P	98.6	Very high	97.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-65.5	-31.1	-170.7	20.3	-30.2	0	0	0	113.9	L764 Y990 A1016 Y1017 D1018 S1021 C1022 V1025	L764-P1014 HydrophobicContact CD1-CG 3.5Å; L764-P1014 VanDerWaalsContact CD1-CG 3.5Å; Y990-P1014 HydrophobicContact CE1-CB 4.09Å; P1014-A1016 PolarHBondContact O-N 2.99Å; P1014-Y1017 WeakPolarHBondContact O-CB 3.46Å; P1014-Y1017 PolarHBondContact O-N 3.45Å; P1014-D1018 PolarHBondContact O-N 3.45Å; P1014-S1021 WeakPolarHBondContact CB-O 3.42Å; P1014-S1021 WeakPolarHBondContact O-CB 3.27Å; P1014-C1022 HydrophobicContact CB-CB 4.44Å; P1014-C1022 HydrophobicContact CG-CB 4.48Å; P1014-V1025 HydrophobicContact CB-CB 4.39Å; P1014-V1025 HydrophobicContact CB-CG2 3.86Å; P1014-V1025 HydrophobicContact CG-CB 4.22Å; P1014-V1025 HydrophobicContact CG-CG1 4.5Å; P1014-V1025 HydrophobicContact CG-CG2 4.04Å
1015	W	98.1	Very high	97.6	Very high	69 Å²	69	34.5 Å²	34.5	26%	0.261	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-71.9	-4.9	177.6	65.8	86.8	0	0	0	113.8	F755 M759 V1013 Y1017	F755-W1015 HydrophobicContact CD1-CH2 4.39Å; F755-W1015 AromaticContact CD1-CZ2 3.79Å; F755-W1015 HydrophobicContact CD1-CZ2 3.79Å; M759-W1015 HydrophobicContact CG-CH2 4.16Å; M759-W1015 HydrophobicContact CG-CZ3 4.02Å; M759-W1015 HydrophobicContact SD-CH2 4.41Å; M759-W1015 HydrophobicContact SD-CZ3 3.77Å; V1013-W1015 VanDerWaalsContact C-N 3.31Å; V1013-W1015 HydrophobicContact CB-CD2 3.85Å; V1013-W1015 HydrophobicContact CB-CE3 3.82Å; V1013-W1015 HydrophobicContact CB-CH2 3.62Å; V1013-W1015 HydrophobicContact CB-CZ2 3.66Å; V1013-W1015 HydrophobicContact CB-CZ3 3.69Å; V1013-W1015 HydrophobicContact CG1-CH2 3.56Å; V1013-W1015 HydrophobicContact CG1-CZ2 3.78Å; V1013-W1015 HydrophobicContact CG1-CZ3 4.01Å; V1013-W1015 HydrophobicContact CG2-CD2 3.85Å; V1013-W1015 VanDerWaalsContact CG2-CE2 3.45Å; V1013-W1015 HydrophobicContact CG2-CE3 4.35Å; V1013-W1015 HydrophobicContact CG2-CG 4.36Å; V1013-W1015 HydrophobicContact CG2-CH2 4.2Å; V1013-W1015 HydrophobicContact CG2-CZ2 3.7Å; V1013-W1015 HydrophobicContact CG2-CZ3 4.5Å; V1013-W1015 PolarHBondContact O-N 3.49Å; W1015-Y1017 PolarHBondContact O-N 3Å
1016	A	96.9	Very high	97.6	Very high	64 Å²	64	37.2 Å²	37.2	53%	0.529	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-72.1	-12.2	167	0	0	0	0	0	112.4	V1013 P1014	V1013-A1016 HydrophobicContact CG2-CB 4.09Å; V1013-A1016 VanDerWaalsContact O-CB 3.26Å; V1013-A1016 WeakPolarHBondContact O-CB 3.37Å; V1013-A1016 PolarHBondContact O-N 3.28Å; V1013-A1016 VanDerWaalsContact O-N 3.08Å; P1014-A1016 PolarHBondContact O-N 2.99Å
1017	Y	98	Very high	97.6	Very high	40 Å²	40	40.1 Å²	40.1	16%	0.157	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-71.3	-178.2	-60.1	-91.6	0	0	0	111.2	T984 A985 A987 Y990 R1012 P1014 W1015	T984-Y1017 HydrophobicContact CG2-CE1 4.47Å; A985-Y1017 HydrophobicContact CB-CE1 3.96Å; A985-Y1017 VanDerWaalsContact O-CE1 3.3Å; A985-Y1017 WeakPolarHBondContact O-CE1 3.31Å; A987-Y1017 HydrophobicContact CB-CD1 4.41Å; Y990-Y1017 AromaticContact CD1-CD2 3.84Å; Y990-Y1017 HydrophobicContact CD1-CD2 3.84Å; Y990-Y1017 HydrophobicContact CD1-CE2 4.08Å; Y990-Y1017 HydrophobicContact CD1-CG 4.11Å; Y990-Y1017 HydrophobicContact CD2-CD2 4.01Å; Y990-Y1017 HydrophobicContact CD2-CE1 4.09Å; Y990-Y1017 AromaticContact CD2-CE2 3.36Å; Y990-Y1017 HydrophobicContact CD2-CE2 3.36Å; Y990-Y1017 AromaticContact CD2-CZ 3.4Å; Y990-Y1017 AromaticContact CE1-CD2 3.98Å; Y990-Y1017 HydrophobicContact CE1-CD2 3.98Å; Y990-Y1017 HydrophobicContact CE1-CE2 4.2Å; Y990-Y1017 HydrophobicContact CE2-CD2 4.12Å; Y990-Y1017 AromaticContact CE2-CE2 3.48Å; Y990-Y1017 HydrophobicContact CE2-CE2 3.48Å; Y990-Y1017 VanDerWaalsContact CE2-CE2 3.48Å; Y990-Y1017 AromaticContact CE2-CZ 3.97Å; Y990-Y1017 HydrophobicContact CG-CD1 4.16Å; Y990-Y1017 AromaticContact CG-CD2 3.86Å; Y990-Y1017 HydrophobicContact CG-CD2 3.86Å; Y990-Y1017 AromaticContact CG-CE1 3.97Å; Y990-Y1017 HydrophobicContact CG-CE1 3.97Å; Y990-Y1017 AromaticContact CG-CE2 3.68Å; Y990-Y1017 HydrophobicContact CG-CE2 3.68Å; Y990-Y1017 HydrophobicContact CG-CG 4.1Å; Y990-Y1017 AromaticContact CG-CZ 3.72Å; Y990-Y1017 AromaticContact CZ-CE2 3.91Å; R1012-Y1017 VanDerWaalsContact CD-OH 3.31Å; R1012-Y1017 WeakPolarHBondContact CD-OH 3.34Å; R1012-Y1017 PolarHBondContact NH1-OH 3.36Å; P1014-Y1017 WeakPolarHBondContact O-CB 3.46Å; P1014-Y1017 PolarHBondContact O-N 3.45Å; W1015-Y1017 PolarHBondContact O-N 3Å
1018	D	98.4	Very high	97.8	Very high	50 Å²	50	40.2 Å²	40.2	27%	0.267	20%	0.199	S	C	.	.			trans	-165.4	171.4	178.8	55.1	26.6	0	0	0	111.1	A987 K991 P1014 E1020 S1021	A987-D1018 WeakPolarHBondContact CB-OD2 3.15Å; K991-D1018 IonicContact NZ-OD1 3.01Å; K991-D1018 IonicContact NZ-OD2 2.68Å; K991-D1018 PolarHBondContact NZ-OD2 2.89Å; P1014-D1018 PolarHBondContact O-N 3.45Å; D1018-E1020 VanDerWaalsContact C-N 3.34Å; D1018-S1021 WeakPolarHBondContact O-CB 3.19Å; D1018-S1021 PolarHBondContact O-N 2.87Å; D1018-S1021 WeakPolarHBondContact OD1-CA 3.48Å; D1018-S1021 WeakPolarHBondContact OD1-CB 3.33Å; D1018-S1021 PolarHBondContact OD1-N 2.69Å; D1018-S1021 PolarHBondContact OD1-OG 3.5Å
1019	D	98.6	Very high	97.9	Very high	132 Å²	132	40 Å²	40	71%	0.706	20%	0.198	S	C	*	.	H	α-helix	trans	-65.7	-36.4	178	-69.7	-29	0	0	0	112	S1021 C1022 D1023	D1019-S1021 PolarHBondContact O-N 3.35Å; D1019-C1022 WeakPolarHBondContact O-CA 3.46Å; D1019-C1022 VanDerWaalsContact O-CB 3.24Å; D1019-C1022 WeakPolarHBondContact O-CB 3.41Å; D1019-C1022 PolarHBondContact O-N 3.45Å; D1019-D1023 PolarHBondContact O-N 3.2Å
1020	E	98.8	Very high	98.2	Very high	79 Å²	79	36.2 Å²	36.2	37%	0.369	18%	0.182	S	C	.	.	H	α-helix	trans	-61.2	-33.7	177	-171.1	-179	-145.3	0	0	111.4	K991 D1018 C1022 D1023 V1024 F1122	K991-E1020 HydrophobicContact CD-CB 4.33Å; K991-E1020 HydrophobicContact CD-CG 4.13Å; K991-E1020 IonicContact NZ-OE2 3.77Å; K991-E1020 PolarHBondContact NZ-OE2 3.17Å; D1018-E1020 VanDerWaalsContact C-N 3.34Å; E1020-C1022 VanDerWaalsContact C-N 3.25Å; E1020-C1022 PolarHBondContact O-N 3.07Å; E1020-D1023 WeakPolarHBondContact O-CB 3.38Å; E1020-D1023 PolarHBondContact O-N 2.58Å; E1020-D1023 VanDerWaalsContact O-N 3.13Å; E1020-V1024 VanDerWaalsContact O-CG2 3.3Å; E1020-V1024 WeakPolarHBondContact O-CG2 3.29Å; E1020-V1024 PolarHBondContact O-N 2.84Å; E1020-F1122 WeakPolarHBondContact OE1-CD2 3.48Å; E1020-F1122 VanDerWaalsContact OE2-CD2 3.26Å; E1020-F1122 WeakPolarHBondContact OE2-CD2 3.43Å
1021	S	98.8	Very high	98.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.1	-32.8	173.4	-64.8	0	0	0	0	112	K991 P1014 D1018 D1019 V1025	K991-S1021 WeakPolarHBondContact CG-OG 3.5Å; P1014-S1021 WeakPolarHBondContact CB-O 3.42Å; P1014-S1021 WeakPolarHBondContact O-CB 3.27Å; D1018-S1021 WeakPolarHBondContact O-CB 3.19Å; D1018-S1021 PolarHBondContact O-N 2.87Å; D1018-S1021 WeakPolarHBondContact OD1-CA 3.48Å; D1018-S1021 WeakPolarHBondContact OD1-CB 3.33Å; D1018-S1021 PolarHBondContact OD1-N 2.69Å; D1018-S1021 PolarHBondContact OD1-OG 3.5Å; D1019-S1021 PolarHBondContact O-N 3.35Å; S1021-V1025 WeakPolarHBondContact O-CG2 3.49Å; S1021-V1025 PolarHBondContact O-N 3.25Å
1022	C	98.8	Very high	98.6	Very high	6 Å²	6	33.6 Å²	33.6	4%	0.041	17%	0.169	C	C	.	.	H	α-helix	trans	-67.2	-42.4	173.1	-60.9	0	0	0	0	110.3	L764 P1014 D1019 E1020 V1024 V1025 R1026	L764-C1022 VanDerWaalsContact CD2-O 3.27Å; L764-C1022 WeakPolarHBondContact CD2-O 3.09Å; P1014-C1022 HydrophobicContact CB-CB 4.44Å; P1014-C1022 HydrophobicContact CG-CB 4.48Å; D1019-C1022 WeakPolarHBondContact O-CA 3.46Å; D1019-C1022 VanDerWaalsContact O-CB 3.24Å; D1019-C1022 WeakPolarHBondContact O-CB 3.41Å; D1019-C1022 PolarHBondContact O-N 3.45Å; E1020-C1022 VanDerWaalsContact C-N 3.25Å; E1020-C1022 PolarHBondContact O-N 3.07Å; C1022-V1024 VanDerWaalsContact C-N 3.35Å; C1022-V1024 PolarHBondContact O-N 3.48Å; C1022-V1025 PolarHBondContact O-N 3.37Å; C1022-R1026 WeakPolarHBondContact O-CB 3.44Å; C1022-R1026 PolarHBondContact O-N 2.68Å
1023	D	98.8	Very high	98.6	Very high	67 Å²	67	33.7 Å²	33.7	36%	0.358	17%	0.17	S	C	.	.	H	α-helix	trans	-63.2	-40.7	176.7	-62.4	-28.4	0	0	0	112.2	D1019 E1020 R1026 F1027 L1123	D1019-D1023 PolarHBondContact O-N 3.2Å; E1020-D1023 WeakPolarHBondContact O-CB 3.38Å; E1020-D1023 PolarHBondContact O-N 2.58Å; E1020-D1023 VanDerWaalsContact O-N 3.13Å; D1023-R1026 PolarHBondContact O-N 2.89Å; D1023-R1026 IonicContact OD1-CZ 2.71Å; D1023-R1026 IonicContact OD1-NH1 3.95Å; D1023-R1026 PolarHBondContact OD1-NH1 3.01Å; D1023-R1026 IonicContact OD1-NH2 3.97Å; D1023-F1027 VanDerWaalsContact O-CB 3.32Å; D1023-F1027 WeakPolarHBondContact O-CB 3.38Å; D1023-F1027 PolarHBondContact O-N 2.93Å; D1023-L1123 HydrophobicContact CB-CD2 4.43Å
1024	V	98.9	Very high	98.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62.6	-50	176.1	172	0	0	0	0	111.1	K991 C994 E1020 C1022 R1026 F1027 F1028 F1122 L1123	K991-V1024 HydrophobicContact CB-CG1 4.37Å; K991-V1024 HydrophobicContact CB-CG2 4.26Å; K991-V1024 HydrophobicContact CD-CG2 4.18Å; K991-V1024 HydrophobicContact CG-CB 4.41Å; K991-V1024 HydrophobicContact CG-CG2 4.05Å; C994-V1024 HydrophobicContact CB-CG1 3.66Å; E1020-V1024 VanDerWaalsContact O-CG2 3.3Å; E1020-V1024 WeakPolarHBondContact O-CG2 3.29Å; E1020-V1024 PolarHBondContact O-N 2.84Å; C1022-V1024 VanDerWaalsContact C-N 3.35Å; C1022-V1024 PolarHBondContact O-N 3.48Å; V1024-R1026 VanDerWaalsContact C-N 3.3Å; V1024-R1026 PolarHBondContact O-N 3.21Å; V1024-F1027 PolarHBondContact O-N 3.29Å; V1024-F1028 HydrophobicContact CG1-CD2 3.85Å; V1024-F1028 HydrophobicContact CG1-CE2 4.07Å; V1024-F1028 VanDerWaalsContact O-CD2 3.3Å; V1024-F1028 WeakPolarHBondContact O-CD2 3.07Å; V1024-F1028 PolarHBondContact O-N 3.44Å; V1024-F1028 VanDerWaalsContact O-N 3.11Å; V1024-F1122 HydrophobicContact CG2-CB 3.81Å; V1024-L1123 HydrophobicContact CG2-CD2 4.31Å
1025	V	98.9	Very high	98.7	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.006	18%	0.184	C	C	.	.	H	α-helix	trans	-60.3	-43	176.8	171.2	0	0	0	0	110.6	L737 L764 Y990 C994 P1014 S1021 C1022 T1029	L737-V1025 HydrophobicContact CD2-CG1 3.94Å; L764-V1025 HydrophobicContact CD2-CB 4.44Å; L764-V1025 HydrophobicContact CD2-CG1 4.31Å; Y990-V1025 HydrophobicContact CE1-CG2 4.24Å; C994-V1025 HydrophobicContact CB-CG2 4.47Å; P1014-V1025 HydrophobicContact CB-CB 4.39Å; P1014-V1025 HydrophobicContact CB-CG2 3.86Å; P1014-V1025 HydrophobicContact CG-CB 4.22Å; P1014-V1025 HydrophobicContact CG-CG1 4.5Å; P1014-V1025 HydrophobicContact CG-CG2 4.04Å; S1021-V1025 WeakPolarHBondContact O-CG2 3.49Å; S1021-V1025 PolarHBondContact O-N 3.25Å; C1022-V1025 PolarHBondContact O-N 3.37Å; V1025-T1029 WeakPolarHBondContact O-CB 3.46Å; V1025-T1029 PolarHBondContact O-N 3.07Å; V1025-T1029 PolarHBondContact O-OG1 3.41Å
1026	R	98.9	Very high	98.7	Very high	58 Å²	58	34 Å²	34	22%	0.219	17%	0.171	C	C	.	.	H	α-helix	trans	-58.8	-54.6	177.7	-167.3	175.1	-48	104.7	4.7	111.6	R762 N763 L764 C1022 D1023 V1024 F1028 T1029 Q1030	R762-R1026 PolarHBondContact O-NE 3.01Å; R762-R1026 VanDerWaalsContact O-NE 3.08Å; R762-R1026 PolarHBondContact O-NH2 2.91Å; N763-R1026 WeakPolarHBondContact O-CD 3.3Å; N763-R1026 WeakPolarHBondContact O-CG 3.47Å; N763-R1026 PolarHBondContact O-NE 3.27Å; L764-R1026 HydrophobicContact CD2-CB 3.59Å; L764-R1026 HydrophobicContact CD2-CG 4.24Å; C1022-R1026 WeakPolarHBondContact O-CB 3.44Å; C1022-R1026 PolarHBondContact O-N 2.68Å; D1023-R1026 PolarHBondContact O-N 2.89Å; D1023-R1026 IonicContact OD1-CZ 2.71Å; D1023-R1026 IonicContact OD1-NH1 3.95Å; D1023-R1026 PolarHBondContact OD1-NH1 3.01Å; D1023-R1026 IonicContact OD1-NH2 3.97Å; V1024-R1026 VanDerWaalsContact C-N 3.3Å; V1024-R1026 PolarHBondContact O-N 3.21Å; R1026-F1028 PolarHBondContact O-N 3.39Å; R1026-T1029 PolarHBondContact O-N 2.9Å; R1026-Q1030 VanDerWaalsContact O-CB 3.31Å; R1026-Q1030 WeakPolarHBondContact O-CB 3.46Å; R1026-Q1030 VanDerWaalsContact O-CG 3.32Å; R1026-Q1030 WeakPolarHBondContact O-CG 3.47Å; R1026-Q1030 PolarHBondContact O-N 3.4Å
1027	F	98.9	Very high	98.8	Very high	62 Å²	62	31 Å²	31	27%	0.272	15%	0.146	S	C	.	.	H	α-helix	trans	-57.4	-52.1	-176	178.8	-91.5	0	0	0	111.5	D1023 V1024 Q1030 L1031 W1105 L1123	D1023-F1027 VanDerWaalsContact O-CB 3.32Å; D1023-F1027 WeakPolarHBondContact O-CB 3.38Å; D1023-F1027 PolarHBondContact O-N 2.93Å; V1024-F1027 PolarHBondContact O-N 3.29Å; F1027-Q1030 PolarHBondContact O-N 3.5Å; F1027-L1031 HydrophobicContact CE1-CD2 4.34Å; F1027-L1031 WeakPolarHBondContact O-CB 3.27Å; F1027-L1031 PolarHBondContact O-N 3.07Å; F1027-W1105 HydrophobicContact CE1-CH2 4.44Å; F1027-W1105 HydrophobicContact CE1-CZ2 4.06Å; F1027-W1105 HydrophobicContact CZ-CD2 4.12Å; F1027-W1105 AromaticContact CZ-CE2 3.84Å; F1027-W1105 HydrophobicContact CZ-CG 4.32Å; F1027-W1105 HydrophobicContact CZ-CZ2 4.25Å; F1027-W1105 AromaticContact CZ-NE1 3.85Å; F1027-L1123 HydrophobicContact CB-CD2 3.55Å; F1027-L1123 HydrophobicContact CD1-CD2 4.47Å; F1027-L1123 HydrophobicContact CD2-CD2 4.36Å; F1027-L1123 HydrophobicContact CG-CD2 3.89Å
1028	F	98.9	Very high	98.8	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.009	14%	0.141	C	C	.	.	H	α-helix	trans	-75.5	-28.6	-175.4	-72.5	-71.1	0	0	0	113.2	A995 L998 L999 V1024 R1026 L1031 K1032 W1105 L1125	A995-F1028 HydrophobicContact CB-CD1 4.3Å; A995-F1028 HydrophobicContact CB-CD2 3.88Å; A995-F1028 HydrophobicContact CB-CE1 3.9Å; A995-F1028 HydrophobicContact CB-CE2 3.44Å; A995-F1028 VanDerWaalsContact CB-CE2 3.44Å; A995-F1028 HydrophobicContact CB-CG 4.31Å; A995-F1028 HydrophobicContact CB-CZ 3.46Å; A995-F1028 VanDerWaalsContact CB-CZ 3.46Å; L998-F1028 HydrophobicContact CB-CB 3.61Å; L998-F1028 HydrophobicContact CG-CB 3.87Å; L999-F1028 HydrophobicContact CD1-CD1 4.46Å; L999-F1028 HydrophobicContact CD1-CE1 4.32Å; V1024-F1028 HydrophobicContact CG1-CD2 3.85Å; V1024-F1028 HydrophobicContact CG1-CE2 4.07Å; V1024-F1028 VanDerWaalsContact O-CD2 3.3Å; V1024-F1028 WeakPolarHBondContact O-CD2 3.07Å; V1024-F1028 PolarHBondContact O-N 3.44Å; V1024-F1028 VanDerWaalsContact O-N 3.11Å; R1026-F1028 PolarHBondContact O-N 3.39Å; F1028-L1031 HydrophobicContact CD1-CD2 4.13Å; F1028-L1031 HydrophobicContact CE1-CD2 4.43Å; F1028-K1032 WeakPolarHBondContact O-CB 3.33Å; F1028-K1032 PolarHBondContact O-N 2.97Å; F1028-W1105 HydrophobicContact CE1-CH2 4.13Å; F1028-L1125 HydrophobicContact CE1-CD2 3.56Å; F1028-L1125 HydrophobicContact CZ-CD2 3.7Å
1029	T	98.9	Very high	98.9	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	13%	0.129	C	C	.	.	H	α-helix	trans	-68.1	-44.6	172.7	-52.6	0	0	0	0	111.3	L737 P765 L998 V1025 R1026 K1032 C1033	L737-T1029 HydrophobicContact CB-CG2 4.07Å; L737-T1029 HydrophobicContact CD2-CG2 4.5Å; P765-T1029 HydrophobicContact CB-CG2 3.79Å; P765-T1029 HydrophobicContact CG-CG2 4.16Å; L998-T1029 HydrophobicContact CD1-CG2 4.37Å; V1025-T1029 WeakPolarHBondContact O-CB 3.46Å; V1025-T1029 PolarHBondContact O-N 3.07Å; V1025-T1029 PolarHBondContact O-OG1 3.41Å; R1026-T1029 PolarHBondContact O-N 2.9Å; T1029-K1032 PolarHBondContact O-N 3.47Å; T1029-C1033 PolarHBondContact O-N 3.28Å; T1029-C1033 PolarHBondContact O-SG 3.15Å
1030	Q	98.9	Very high	98.9	Very high	49 Å²	49	21.4 Å²	21.4	23%	0.229	10%	0.096	C	C	.	.	H	α-helix	trans	-61.7	-44.9	174.3	-77.1	173.6	-166.8	0	0	112.1	R1026 F1027 K1032 C1033 R1034 D1141	R1026-Q1030 VanDerWaalsContact O-CB 3.31Å; R1026-Q1030 WeakPolarHBondContact O-CB 3.46Å; R1026-Q1030 VanDerWaalsContact O-CG 3.32Å; R1026-Q1030 WeakPolarHBondContact O-CG 3.47Å; R1026-Q1030 PolarHBondContact O-N 3.4Å; F1027-Q1030 PolarHBondContact O-N 3.5Å; Q1030-K1032 PolarHBondContact O-N 3.05Å; Q1030-C1033 PolarHBondContact O-N 3.46Å; Q1030-R1034 PolarHBondContact O-N 3.43Å; Q1030-D1141 WeakPolarHBondContact CA-O 3.38Å; Q1030-D1141 HydrophobicContact CB-CB 3.83Å; Q1030-D1141 HydrophobicContact CG-CB 3.96Å; Q1030-D1141 WeakPolarHBondContact CG-O 3.31Å
1031	L	98.9	Very high	98.9	Very high	16 Å²	16	19.6 Å²	19.6	8%	0.084	9%	0.086	C	C	.	.	H	α-helix	trans	-57.9	-49	175.6	177.4	63.4	0	0	0	111.2	L999 F1027 F1028 C1033 R1034 M1035 L1104 W1105	L999-L1031 HydrophobicContact CD2-CD2 4.44Å; F1027-L1031 HydrophobicContact CE1-CD2 4.34Å; F1027-L1031 WeakPolarHBondContact O-CB 3.27Å; F1027-L1031 PolarHBondContact O-N 3.07Å; F1028-L1031 HydrophobicContact CD1-CD2 4.13Å; F1028-L1031 HydrophobicContact CE1-CD2 4.43Å; L1031-C1033 VanDerWaalsContact C-N 3.34Å; L1031-C1033 PolarHBondContact O-N 2.84Å; L1031-R1034 PolarHBondContact O-N 3.17Å; L1031-M1035 HydrophobicContact CD1-CG 4.16Å; L1031-M1035 HydrophobicContact CD1-SD 4.06Å; L1031-M1035 HydrophobicContact CD2-SD 4.41Å; L1031-M1035 HydrophobicContact CG-CG 4.4Å; L1031-M1035 HydrophobicContact CG-SD 3.93Å; L1031-M1035 WeakPolarHBondContact O-CG 3.2Å; L1031-M1035 PolarHBondContact O-N 3.38Å; L1031-L1104 HydrophobicContact CD1-CD2 4.13Å; L1031-W1105 HydrophobicContact CD1-CE3 4.47Å; L1031-W1105 HydrophobicContact CD2-CE3 3.95Å; L1031-W1105 HydrophobicContact CD2-CH2 4.18Å; L1031-W1105 HydrophobicContact CD2-CZ3 3.53Å
1032	K	98.9	Very high	98.9	Very high	4 Å²	4	19.7 Å²	19.7	2%	0.017	9%	0.087	C	C	.	.	H	α-helix	trans	-59.7	-44.1	-179.5	-164.7	-173.8	-166.7	-168.9	0	111.7	F735 L998 S1000 S1001 S1003 F1028 T1029 Q1030 R1034 M1035 M1036 L1039	F735-K1032 WeakPolarHBondContact O-CD 3.07Å; F735-K1032 VanDerWaalsContact O-CE 3.25Å; F735-K1032 WeakPolarHBondContact O-CE 3.44Å; F735-K1032 PolarHBondContact O-NZ 3.28Å; L998-K1032 HydrophobicContact CD1-CB 4.16Å; L998-K1032 HydrophobicContact CD1-CD 3.94Å; L998-K1032 WeakPolarHBondContact O-CD 3.29Å; L998-K1032 WeakPolarHBondContact O-CE 3.33Å; L998-K1032 WeakPolarHBondContact O-CG 3.5Å; S1000-K1032 VanDerWaalsContact O-CE 3.31Å; S1000-K1032 WeakPolarHBondContact O-CE 3.49Å; S1000-K1032 PolarHBondContact O-NZ 3.47Å; S1001-K1032 PolarHBondContact O-NZ 3.48Å; S1003-K1032 PolarHBondContact OG-NZ 2.85Å; F1028-K1032 WeakPolarHBondContact O-CB 3.33Å; F1028-K1032 PolarHBondContact O-N 2.97Å; T1029-K1032 PolarHBondContact O-N 3.47Å; Q1030-K1032 PolarHBondContact O-N 3.05Å; K1032-R1034 PolarHBondContact O-N 3.36Å; K1032-M1035 PolarHBondContact O-N 3.34Å; K1032-M1035 VanDerWaalsContact O-N 3.09Å; K1032-M1036 PolarHBondContact O-N 3.3Å; K1032-L1039 HydrophobicContact CG-CD1 3.87Å
1033	C	98.9	Very high	98.9	Very high	3 Å²	3	19.4 Å²	19.4	2%	0.02	9%	0.085	C	C	.	.	H	α-helix	trans	-60.5	-43.1	176.6	-66.1	0	0	0	0	111.9	T1029 Q1030 L1031 M1035 M1036 N1140 R1143 Y1146	T1029-C1033 PolarHBondContact O-N 3.28Å; T1029-C1033 PolarHBondContact O-SG 3.15Å; Q1030-C1033 PolarHBondContact O-N 3.46Å; L1031-C1033 VanDerWaalsContact C-N 3.34Å; L1031-C1033 PolarHBondContact O-N 2.84Å; C1033-M1035 VanDerWaalsContact C-N 3.29Å; C1033-M1035 PolarHBondContact O-N 3.36Å; C1033-M1036 WeakPolarHBondContact O-CB 3.49Å; C1033-M1036 PolarHBondContact O-N 3.4Å; C1033-N1140 CarbonylContact C-O 3.58Å; C1033-R1143 VanDerWaalsContact SG-C 3.57Å; C1033-Y1146 WeakPolarHBondContact O-CE1 3.46Å; C1033-Y1146 PolarHBondContact O-OH 3.39Å
1034	R	98.8	Very high	98.9	Very high	79 Å²	79	16.8 Å²	16.8	30%	0.298	7%	0.072	S	C	.	.	H	α-helix	trans	-66	-29.5	173.8	-72.5	-167.6	61.5	-124.6	-4.8	113.4	Q1030 L1031 K1032 M1036 P1037 L1137 G1138 N1140 D1141	Q1030-R1034 PolarHBondContact O-N 3.43Å; L1031-R1034 PolarHBondContact O-N 3.17Å; K1032-R1034 PolarHBondContact O-N 3.36Å; R1034-M1036 VanDerWaalsContact C-N 3.28Å; R1034-M1036 PolarHBondContact O-N 3.07Å; R1034-P1037 WeakPolarHBondContact O-CD 3.41Å; R1034-L1137 CarbonylContact O-C 3.46Å; R1034-L1137 VanDerWaalsContact O-CA 3.32Å; R1034-L1137 WeakPolarHBondContact O-CA 3.36Å; R1034-G1138 PolarHBondContact NE-O 3.07Å; R1034-G1138 PolarHBondContact O-N 3.38Å; R1034-N1140 PolarHBondContact N-O 2.9Å; R1034-D1141 HydrophobicContact CG-CB 3.75Å
1035	M	98.9	Very high	98.9	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-79	-6.8	177.3	-71.5	-178.5	71.4	0	0	113.6	L999 L1031 K1032 C1033 P1037 Y1038 L1039 L1076 L1104 L1137	L999-M1035 HydrophobicContact CD2-SD 4.15Å; L1031-M1035 HydrophobicContact CD1-CG 4.16Å; L1031-M1035 HydrophobicContact CD1-SD 4.06Å; L1031-M1035 HydrophobicContact CD2-SD 4.41Å; L1031-M1035 HydrophobicContact CG-CG 4.4Å; L1031-M1035 HydrophobicContact CG-SD 3.93Å; L1031-M1035 WeakPolarHBondContact O-CG 3.2Å; L1031-M1035 PolarHBondContact O-N 3.38Å; K1032-M1035 PolarHBondContact O-N 3.34Å; K1032-M1035 VanDerWaalsContact O-N 3.09Å; C1033-M1035 VanDerWaalsContact C-N 3.29Å; C1033-M1035 PolarHBondContact O-N 3.36Å; M1035-P1037 VanDerWaalsContact C-CD 3.41Å; M1035-Y1038 HydrophobicContact CE-CD1 4.08Å; M1035-Y1038 HydrophobicContact CE-CE1 4.34Å; M1035-Y1038 WeakPolarHBondContact O-CA 3.44Å; M1035-Y1038 WeakPolarHBondContact O-CB 3.38Å; M1035-Y1038 PolarHBondContact O-N 3.33Å; M1035-L1039 HydrophobicContact CB-CD1 3.81Å; M1035-L1039 HydrophobicContact CB-CG 3.98Å; M1035-L1039 WeakPolarHBondContact O-CG 3.49Å; M1035-L1039 PolarHBondContact O-N 2.89Å; M1035-L1076 HydrophobicContact CE-CD2 4.47Å; M1035-L1104 HydrophobicContact CE-CD2 3.97Å; M1035-L1104 HydrophobicContact CG-CD2 4.46Å; M1035-L1104 HydrophobicContact SD-CD2 3.66Å; M1035-L1137 HydrophobicContact CG-CD2 3.92Å
1036	M	98.9	Very high	98.9	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-56.2	-36.5	-174.8	-80.1	-63.4	-64.5	0	0	116.6	A732 F735 K1032 C1033 R1034 Y1038 L1039 Y1040 P1144 Y1146 W1148	A732-M1036 HydrophobicContact CB-CE 4.32Å; F735-M1036 HydrophobicContact CB-CE 3.72Å; F735-M1036 HydrophobicContact CB-SD 3.55Å; F735-M1036 VanDerWaalsContact CB-SD 3.55Å; F735-M1036 HydrophobicContact CD1-CE 4.49Å; F735-M1036 HydrophobicContact CD1-SD 4.25Å; F735-M1036 HydrophobicContact CD2-CE 4.18Å; F735-M1036 HydrophobicContact CG-CE 3.87Å; F735-M1036 HydrophobicContact CG-SD 4Å; K1032-M1036 PolarHBondContact O-N 3.3Å; C1033-M1036 WeakPolarHBondContact O-CB 3.49Å; C1033-M1036 PolarHBondContact O-N 3.4Å; R1034-M1036 VanDerWaalsContact C-N 3.28Å; R1034-M1036 PolarHBondContact O-N 3.07Å; M1036-Y1038 PolarHBondContact O-N 3.03Å; M1036-L1039 PolarHBondContact O-N 3.43Å; M1036-L1039 HydrophobicContact SD-CB 4.24Å; M1036-L1039 HydrophobicContact SD-CD1 4.34Å; M1036-Y1040 HydrophobicContact CE-CD2 3.73Å; M1036-Y1040 HydrophobicContact CE-CG 4.27Å; M1036-Y1040 VanDerWaalsContact O-CB 3.26Å; M1036-Y1040 WeakPolarHBondContact O-CB 3.42Å; M1036-Y1040 PolarHBondContact O-N 2.9Å; M1036-P1144 HydrophobicContact CE-CB 3.99Å; M1036-P1144 HydrophobicContact CG-CB 3.67Å; M1036-P1144 WeakPolarHBondContact CG-O 3.4Å; M1036-P1144 HydrophobicContact SD-CB 3.93Å; M1036-Y1146 HydrophobicContact CB-CE1 4.44Å; M1036-W1148 HydrophobicContact CB-CZ2 4.25Å; M1036-W1148 HydrophobicContact CE-CH2 4.36Å; M1036-W1148 HydrophobicContact CE-CZ2 3.69Å
1037	P	98.8	Very high	98.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-57.3	-39.5	174.4	-23	32.4	0	0	0	112.2	R1034 M1035 A1136 W1148 P1170	R1034-P1037 WeakPolarHBondContact O-CD 3.41Å; M1035-P1037 VanDerWaalsContact C-CD 3.41Å; P1037-A1136 HydrophobicContact CB-CB 3.88Å; P1037-W1148 HydrophobicContact CB-CB 3.98Å; P1037-W1148 HydrophobicContact CB-CG 4.24Å; P1037-W1148 HydrophobicContact CG-CB 3.79Å; P1037-W1148 HydrophobicContact CG-CG 3.88Å; P1037-P1170 WeakPolarHBondContact O-CD 3.3Å; P1037-P1170 WeakPolarHBondContact O-CG 3.32Å
1038	Y	98.9	Very high	98.9	Very high	12 Å²	12	19 Å²	19	5%	0.047	10%	0.095	C	C	.	.	H	α-helix	trans	-71.2	-57.2	172	168	-110.5	0	0	0	111.3	M1035 M1036 Y1040 R1041 E1042 L1076 G1077 D1078 N1079 V1080 L1135	M1035-Y1038 HydrophobicContact CE-CD1 4.08Å; M1035-Y1038 HydrophobicContact CE-CE1 4.34Å; M1035-Y1038 WeakPolarHBondContact O-CA 3.44Å; M1035-Y1038 WeakPolarHBondContact O-CB 3.38Å; M1035-Y1038 PolarHBondContact O-N 3.33Å; M1036-Y1038 PolarHBondContact O-N 3.03Å; Y1038-Y1040 VanDerWaalsContact C-N 3.28Å; Y1038-Y1040 PolarHBondContact O-N 3.24Å; Y1038-R1041 WeakPolarHBondContact O-CB 3.13Å; Y1038-R1041 PolarHBondContact O-N 3.49Å; Y1038-E1042 HydrophobicContact CD2-CG 4.06Å; Y1038-E1042 HydrophobicContact CE1-CG 4.16Å; Y1038-E1042 HydrophobicContact CE2-CG 3.67Å; Y1038-E1042 WeakPolarHBondContact CE2-OE1 3.36Å; Y1038-E1042 HydrophobicContact CG-CG 4.48Å; Y1038-E1042 WeakPolarHBondContact O-CG 3.46Å; Y1038-E1042 PolarHBondContact O-N 3.27Å; Y1038-E1042 VanDerWaalsContact O-N 3.11Å; Y1038-L1076 VanDerWaalsContact CE1-O 3.29Å; Y1038-L1076 WeakPolarHBondContact CE1-O 3.33Å; Y1038-L1076 VanDerWaalsContact CZ-O 3.3Å; Y1038-L1076 PolarHBondContact OH-O 3.06Å; Y1038-G1077 VanDerWaalsContact OH-C 3.23Å; Y1038-G1077 VanDerWaalsContact OH-CA 3.25Å; Y1038-G1077 WeakPolarHBondContact OH-CA 3.44Å; Y1038-D1078 PolarHBondContact OH-N 3.45Å; Y1038-N1079 HydrophobicContact CE2-CB 4.29Å; Y1038-N1079 PolarHBondContact OH-N 3.44Å; Y1038-V1080 HydrophobicContact CE1-CB 4.47Å; Y1038-V1080 HydrophobicContact CE1-CG2 3.86Å; Y1038-L1135 HydrophobicContact CD1-CD1 4.34Å; Y1038-L1135 HydrophobicContact CD2-CD1 3.46Å; Y1038-L1135 VanDerWaalsContact CD2-CD1 3.46Å; Y1038-L1135 HydrophobicContact CE2-CD1 3.76Å; Y1038-L1135 HydrophobicContact CG-CD1 3.76Å
1039	L	98.9	Very high	98.8	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.016	12%	0.116	C	C	.	.	H	α-helix	trans	-57.6	-39.6	-172.7	-67.4	174.5	0	0	0	112.7	K1032 M1035 M1036 E1042 A1043 M1053 L1076	K1032-L1039 HydrophobicContact CG-CD1 3.87Å; M1035-L1039 HydrophobicContact CB-CD1 3.81Å; M1035-L1039 HydrophobicContact CB-CG 3.98Å; M1035-L1039 WeakPolarHBondContact O-CG 3.49Å; M1035-L1039 PolarHBondContact O-N 2.89Å; M1036-L1039 PolarHBondContact O-N 3.43Å; M1036-L1039 HydrophobicContact SD-CB 4.24Å; M1036-L1039 HydrophobicContact SD-CD1 4.34Å; L1039-E1042 WeakPolarHBondContact O-CB 3.32Å; L1039-E1042 PolarHBondContact O-N 3.33Å; L1039-A1043 PolarHBondContact O-N 3.42Å; L1039-M1053 HydrophobicContact CB-CE 3.96Å; L1039-M1053 HydrophobicContact CD2-CE 3.97Å; L1039-M1053 WeakPolarHBondContact O-CE 3.33Å; L1039-L1076 HydrophobicContact CD2-CD1 4.1Å; L1039-L1076 HydrophobicContact CD2-CD2 3.63Å; L1039-L1076 HydrophobicContact CD2-CG 3.74Å
1040	Y	98.9	Very high	98.8	Very high	7 Å²	7	24.6 Å²	24.6	3%	0.027	12%	0.116	C	C	.	.	H	α-helix	trans	-74.7	-27.7	-178.3	-152.1	-106.5	0	0	0	112.6	L729 P730 A732 F735 M1036 Y1038 E1042 A1043 A1044 W1148 P1170 A1172	L729-Y1040 HydrophobicContact CD1-CE2 4.49Å; L729-Y1040 HydrophobicContact CD2-CE1 4.17Å; P730-Y1040 WeakPolarHBondContact O-CE2 3.39Å; P730-Y1040 PolarHBondContact O-OH 3.2Å; A732-Y1040 VanDerWaalsContact CA-CE2 3.45Å; A732-Y1040 HydrophobicContact CB-CD2 4.28Å; A732-Y1040 HydrophobicContact CB-CE2 3.76Å; A732-Y1040 PolarHBondContact N-OH 3Å; F735-Y1040 HydrophobicContact CD2-CD2 4.08Å; F735-Y1040 HydrophobicContact CD2-CE2 4.07Å; F735-Y1040 AromaticContact CE2-CD2 3.82Å; F735-Y1040 HydrophobicContact CE2-CD2 3.82Å; F735-Y1040 AromaticContact CE2-CE2 3.73Å; F735-Y1040 HydrophobicContact CE2-CE2 3.73Å; F735-Y1040 HydrophobicContact CZ-CD2 4.29Å; M1036-Y1040 HydrophobicContact CE-CD2 3.73Å; M1036-Y1040 HydrophobicContact CE-CG 4.27Å; M1036-Y1040 VanDerWaalsContact O-CB 3.26Å; M1036-Y1040 WeakPolarHBondContact O-CB 3.42Å; M1036-Y1040 PolarHBondContact O-N 2.9Å; Y1038-Y1040 VanDerWaalsContact C-N 3.28Å; Y1038-Y1040 PolarHBondContact O-N 3.24Å; Y1040-E1042 VanDerWaalsContact C-N 3.34Å; Y1040-A1043 HydrophobicContact CD2-CB 4.46Å; Y1040-A1043 WeakPolarHBondContact O-CB 3.34Å; Y1040-A1043 PolarHBondContact O-N 3.03Å; Y1040-A1044 PolarHBondContact O-N 2.93Å; Y1040-W1148 HydrophobicContact CD1-CE3 4.43Å; Y1040-W1148 AromaticContact CD1-CH2 3.2Å; Y1040-W1148 HydrophobicContact CD1-CH2 3.2Å; Y1040-W1148 HydrophobicContact CD1-CZ2 4.37Å; Y1040-W1148 AromaticContact CD1-CZ3 3.24Å; Y1040-W1148 HydrophobicContact CD1-CZ3 3.24Å; Y1040-W1148 AromaticContact CD2-CH2 3.82Å; Y1040-W1148 HydrophobicContact CD2-CH2 3.82Å; Y1040-W1148 HydrophobicContact CD2-CZ2 4.43Å; Y1040-W1148 AromaticContact CE1-CH2 3.61Å; Y1040-W1148 HydrophobicContact CE1-CH2 3.61Å; Y1040-W1148 AromaticContact CE1-CZ3 3.77Å; Y1040-W1148 HydrophobicContact CE1-CZ3 3.77Å; Y1040-W1148 HydrophobicContact CE2-CH2 4.2Å; Y1040-W1148 AromaticContact CG-CH2 3.27Å; Y1040-W1148 HydrophobicContact CG-CH2 3.27Å; Y1040-W1148 HydrophobicContact CG-CZ2 4.07Å; Y1040-W1148 AromaticContact CG-CZ3 3.71Å; Y1040-W1148 HydrophobicContact CG-CZ3 3.71Å; Y1040-P1170 HydrophobicContact CD1-CB 4.34Å; Y1040-P1170 HydrophobicContact CD1-CG 4.28Å; Y1040-A1172 WeakPolarHBondContact CE1-O 3.48Å; Y1040-A1172 PolarHBondContact OH-O 2.87Å
1041	R	98.8	Very high	98.8	Very high	40 Å²	40	22.5 Å²	22.5	15%	0.151	11%	0.107	C	C	.	.	H	α-helix	trans	-67.1	-39.3	169.5	179	62.9	-163.6	97.4	-6.7	111	Y1038 A1044 R1045 E1168 P1170	Y1038-R1041 WeakPolarHBondContact O-CB 3.13Å; Y1038-R1041 PolarHBondContact O-N 3.49Å; R1041-A1044 WeakPolarHBondContact O-CB 3.45Å; R1041-A1044 PolarHBondContact O-N 3.33Å; R1041-R1045 PolarHBondContact O-N 3.46Å; R1041-E1168 HydrophobicContact CG-CB 4.22Å; R1041-E1168 WeakPolarHBondContact CG-O 3.33Å; R1041-E1168 IonicContact CZ-OE2 3.99Å; R1041-E1168 IonicContact NE-OE2 3.34Å; R1041-E1168 PolarHBondContact NE-OE2 3.24Å; R1041-E1168 IonicContact NH2-OE2 2.75Å; R1041-E1168 PolarHBondContact NH2-OE2 3.32Å; R1041-P1170 HydrophobicContact CB-CB 4.49Å; R1041-P1170 HydrophobicContact CB-CG 4.11Å
1042	E	98.9	Very high	98.8	Very high	3 Å²	3	21.9 Å²	21.9	1%	0.014	10%	0.103	C	C	.	.	H	α-helix	trans	-66.7	-36.6	173.5	-55.2	-56.6	137.5	0	0	112.1	Y1038 L1039 Y1040 A1044 R1045 A1046 M1053 R1055 G1077 D1078	Y1038-E1042 HydrophobicContact CD2-CG 4.06Å; Y1038-E1042 HydrophobicContact CE1-CG 4.16Å; Y1038-E1042 HydrophobicContact CE2-CG 3.67Å; Y1038-E1042 WeakPolarHBondContact CE2-OE1 3.36Å; Y1038-E1042 HydrophobicContact CG-CG 4.48Å; Y1038-E1042 WeakPolarHBondContact O-CG 3.46Å; Y1038-E1042 PolarHBondContact O-N 3.27Å; Y1038-E1042 VanDerWaalsContact O-N 3.11Å; L1039-E1042 WeakPolarHBondContact O-CB 3.32Å; L1039-E1042 PolarHBondContact O-N 3.33Å; Y1040-E1042 VanDerWaalsContact C-N 3.34Å; E1042-A1044 VanDerWaalsContact C-N 3.34Å; E1042-A1044 PolarHBondContact O-N 3.04Å; E1042-R1045 WeakPolarHBondContact O-CB 3.38Å; E1042-R1045 PolarHBondContact O-N 3.12Å; E1042-R1045 VanDerWaalsContact O-N 3.1Å; E1042-R1045 IonicContact OE1-CZ 3.81Å; E1042-R1045 IonicContact OE1-NH1 2.69Å; E1042-R1045 PolarHBondContact OE1-NH1 3.01Å; E1042-R1045 IonicContact OE1-NH2 3.46Å; E1042-R1045 IonicContact OE2-CZ 3.59Å; E1042-R1045 IonicContact OE2-NE 2.8Å; E1042-R1045 IonicContact OE2-NH1 3.86Å; E1042-R1045 PolarHBondContact OE2-NH1 3.29Å; E1042-A1046 PolarHBondContact O-N 3.44Å; E1042-M1053 HydrophobicContact CB-CE 4.29Å; E1042-R1055 IonicContact OE2-CZ 3.33Å; E1042-R1055 IonicContact OE2-NH2 3.17Å; E1042-R1055 PolarHBondContact OE2-NH2 2.9Å; E1042-G1077 WeakPolarHBondContact OE2-CA 3.28Å; E1042-D1078 PolarHBondContact OE2-N 3.07Å
1043	A	98.9	Very high	98.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-60.3	-42.4	171.7	0	0	0	0	0	111.8	L729 F735 F973 L1039 Y1040 R1045 A1046 N1047 M1053	L729-A1043 HydrophobicContact CD1-CB 3.64Å; F735-A1043 HydrophobicContact CE1-CB 4.21Å; F735-A1043 HydrophobicContact CE2-CB 4.49Å; F735-A1043 HydrophobicContact CZ-CB 3.62Å; F973-A1043 HydrophobicContact CE1-CB 3.67Å; F973-A1043 HydrophobicContact CZ-CB 4.09Å; L1039-A1043 PolarHBondContact O-N 3.42Å; Y1040-A1043 HydrophobicContact CD2-CB 4.46Å; Y1040-A1043 WeakPolarHBondContact O-CB 3.34Å; Y1040-A1043 PolarHBondContact O-N 3.03Å; A1043-R1045 PolarHBondContact O-N 3.23Å; A1043-A1046 WeakPolarHBondContact O-CA 3.29Å; A1043-A1046 VanDerWaalsContact O-CB 3.29Å; A1043-A1046 WeakPolarHBondContact O-CB 3.17Å; A1043-A1046 PolarHBondContact O-N 3.03Å; A1043-N1047 PolarHBondContact O-N 3Å; A1043-N1047 VanDerWaalsContact O-N 3.16Å; A1043-M1053 HydrophobicContact CB-SD 3.82Å
1044	A	98.8	Very high	98.8	Very high	11 Å²	11	22 Å²	22	9%	0.091	10%	0.104	C	C	.	.	H	α-helix	trans	-62.4	-29.4	174.2	0	0	0	0	0	112.6	Y1040 R1041 E1042 N1047 A1048 G1174	Y1040-A1044 PolarHBondContact O-N 2.93Å; R1041-A1044 WeakPolarHBondContact O-CB 3.45Å; R1041-A1044 PolarHBondContact O-N 3.33Å; E1042-A1044 VanDerWaalsContact C-N 3.34Å; E1042-A1044 PolarHBondContact O-N 3.04Å; A1044-N1047 PolarHBondContact O-N 3.35Å; A1044-A1048 WeakPolarHBondContact O-CB 3.4Å; A1044-A1048 PolarHBondContact O-N 3.5Å; A1044-G1174 WeakPolarHBondContact CB-O 3.34Å
1045	R	98.8	Very high	98.8	Very high	50 Å²	50	18.2 Å²	18.2	19%	0.189	9%	0.09	C	C	.	.	H	α-helix	trans	-67.8	-35.7	171.2	-65	-173.4	178.8	75.9	-1.1	112.2	R1041 E1042 A1043 N1047 R1049 D1078	R1041-R1045 PolarHBondContact O-N 3.46Å; E1042-R1045 WeakPolarHBondContact O-CB 3.38Å; E1042-R1045 PolarHBondContact O-N 3.12Å; E1042-R1045 VanDerWaalsContact O-N 3.1Å; E1042-R1045 IonicContact OE1-CZ 3.81Å; E1042-R1045 IonicContact OE1-NH1 2.69Å; E1042-R1045 PolarHBondContact OE1-NH1 3.01Å; E1042-R1045 IonicContact OE1-NH2 3.46Å; E1042-R1045 IonicContact OE2-CZ 3.59Å; E1042-R1045 IonicContact OE2-NE 2.8Å; E1042-R1045 IonicContact OE2-NH1 3.86Å; E1042-R1045 PolarHBondContact OE2-NH1 3.29Å; A1043-R1045 PolarHBondContact O-N 3.23Å; R1045-N1047 VanDerWaalsContact C-N 3.34Å; R1045-R1049 PolarHBondContact O-N 2.88Å; R1045-D1078 IonicContact CZ-OD2 3.23Å; R1045-D1078 IonicContact NE-OD1 2.76Å; R1045-D1078 IonicContact NE-OD2 3.71Å; R1045-D1078 PolarHBondContact NE-OD2 3.27Å; R1045-D1078 IonicContact NH1-OD2 3.11Å; R1045-D1078 IonicContact NH2-OD2 3.73Å; R1045-D1078 PolarHBondContact NH2-OD2 3.01Å; R1045-D1078 VanDerWaalsContact NH2-OD2 3.16Å
1046	A	98.8	Very high	98.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-62.2	-43.3	174.2	0	0	0	0	0	111.4	P727 F973 E1042 A1043 G1050 T1051	P727-A1046 WeakPolarHBondContact CD-O 3.47Å; F973-A1046 HydrophobicContact CE1-CB 4.31Å; F973-A1046 HydrophobicContact CE2-CB 4.09Å; F973-A1046 HydrophobicContact CZ-CB 3.75Å; E1042-A1046 PolarHBondContact O-N 3.44Å; A1043-A1046 WeakPolarHBondContact O-CA 3.29Å; A1043-A1046 VanDerWaalsContact O-CB 3.29Å; A1043-A1046 WeakPolarHBondContact O-CB 3.17Å; A1043-A1046 PolarHBondContact O-N 3.03Å; A1046-G1050 WeakPolarHBondContact O-CA 3.33Å; A1046-G1050 PolarHBondContact O-N 3.27Å; A1046-T1051 WeakPolarHBondContact CA-O 3.4Å; A1046-T1051 WeakPolarHBondContact CB-O 3.49Å; A1046-T1051 PolarHBondContact N-O 2.85Å
1047	N	98.8	Very high	98.9	Very high	61 Å²	61	18.3 Å²	18.3	33%	0.326	9%	0.09	S	C	.	.	H	α-helix	trans	-66.3	-49.7	175.1	173.9	-96.1	0	0	0	112.9	R726 P727 L729 A1043 A1044 R1045	R726-N1047 WeakPolarHBondContact CB-O 3.06Å; R726-N1047 WeakPolarHBondContact CD-O 3.48Å; P727-N1047 VanDerWaalsContact O-CA 3.23Å; P727-N1047 WeakPolarHBondContact O-CA 3.44Å; P727-N1047 WeakPolarHBondContact O-CB 3.45Å; P727-N1047 PolarHBondContact O-ND2 3.22Å; L729-N1047 HydrophobicContact CB-CB 4.13Å; A1043-N1047 PolarHBondContact O-N 3Å; A1043-N1047 VanDerWaalsContact O-N 3.16Å; A1044-N1047 PolarHBondContact O-N 3.35Å; R1045-N1047 VanDerWaalsContact C-N 3.34Å
1048	A	98.6	Very high	98.9	Very high	56 Å²	56	18.4 Å²	18.4	46%	0.463	9%	0.091	S	C	.	.	H	α-helix	trans	-71.4	-35.7	-173.7	0	0	0	0	0	113.8	R726 A1044	R726-A1048 PolarHBondContact NE-O 3.31Å; R726-A1048 PolarHBondContact NH2-O 3.49Å; A1044-A1048 WeakPolarHBondContact O-CB 3.4Å; A1044-A1048 PolarHBondContact O-N 3.5Å
1049	R	98.8	Very high	98.9	Very high	121 Å²	121	18 Å²	18	46%	0.457	9%	0.089	S	C	.	.	H	α-helix	trans	-132	5.3	-169.6	-61.8	-163.9	71.3	-165.9	-1.1	114.7	D718 R726 R1045 T1051	D718-R1049 WeakPolarHBondContact CA-O 3.26Å; D718-R1049 IonicContact OD2-CZ 2.8Å; D718-R1049 VanDerWaalsContact OD2-CZ 3.26Å; D718-R1049 IonicContact OD2-NE 2.69Å; D718-R1049 PolarHBondContact OD2-NE 2.94Å; D718-R1049 IonicContact OD2-NH2 2.82Å; D718-R1049 PolarHBondContact OD2-NH2 3.49Å; R726-R1049 VanDerWaalsContact NH1-C 3.27Å; R1045-R1049 PolarHBondContact O-N 2.88Å; R1049-T1051 PolarHBondContact O-N 2.95Å; R1049-T1051 VanDerWaalsContact O-N 3.14Å
1050	G	98.7	Very high	98.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.094	C	C	.	.			trans	64.5	15.8	-177.1	0	0	0	0	0	114.4	T721 A1046 P1052	T721-G1050 WeakPolarHBondContact OG1-CA 3.43Å; A1046-G1050 WeakPolarHBondContact O-CA 3.33Å; A1046-G1050 PolarHBondContact O-N 3.27Å; G1050-P1052 WeakPolarHBondContact O-CD 3.29Å
1051	T	98.9	Very high	98.8	Very high	6 Å²	6	20 Å²	20	4%	0.037	10%	0.099	C	C	.	.			trans	-79.9	110.9	178.9	-57.2	0	0	0	0	109.1	K714 A1046 R1049	K714-T1051 HydrophobicContact CD-CG2 4.04Å; K714-T1051 HydrophobicContact CG-CG2 4.23Å; A1046-T1051 WeakPolarHBondContact CA-O 3.4Å; A1046-T1051 WeakPolarHBondContact CB-O 3.49Å; A1046-T1051 PolarHBondContact N-O 2.85Å; R1049-T1051 PolarHBondContact O-N 2.95Å; R1049-T1051 VanDerWaalsContact O-N 3.14Å
1052	P	98.9	Very high	98.8	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.013	10%	0.102	C	C	.	.			trans	-63.7	154.3	-175.6	29.1	-36.8	0	0	0	111.7	G1050 R1055 M1059	G1050-P1052 WeakPolarHBondContact O-CD 3.29Å; P1052-R1055 HydrophobicContact CG-CG 4.27Å; P1052-R1055 WeakPolarHBondContact O-CG 3.24Å; P1052-R1055 PolarHBondContact O-NE 3.39Å; P1052-M1059 HydrophobicContact CG-CE 3.72Å; P1052-M1059 HydrophobicContact CG-SD 3.66Å
1053	M	98.9	Very high	98.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-70	-42.3	175.8	-71.5	-170.3	69.9	0	0	112.2	F735 G972 F973 L1039 E1042 A1043 L1076 G1077	F735-M1053 HydrophobicContact CE1-CE 3.92Å; F735-M1053 HydrophobicContact CE1-SD 3.54Å; F735-M1053 VanDerWaalsContact CE1-SD 3.54Å; F735-M1053 HydrophobicContact CZ-SD 4.07Å; G972-M1053 PolarHBondContact O-N 3.29Å; F973-M1053 HydrophobicContact CD1-CG 4.44Å; F973-M1053 HydrophobicContact CD1-SD 3.92Å; F973-M1053 HydrophobicContact CE1-CG 4.22Å; F973-M1053 HydrophobicContact CE1-SD 3.74Å; L1039-M1053 HydrophobicContact CB-CE 3.96Å; L1039-M1053 HydrophobicContact CD2-CE 3.97Å; L1039-M1053 WeakPolarHBondContact O-CE 3.33Å; E1042-M1053 HydrophobicContact CB-CE 4.29Å; A1043-M1053 HydrophobicContact CB-SD 3.82Å; M1053-L1076 CarbonylContact O-C 3.55Å; M1053-L1076 WeakPolarHBondContact O-CA 3.09Å; M1053-G1077 PolarHBondContact O-N 3.49Å
1054	M	98.9	Very high	98.8	Very high	9 Å²	9	28.4 Å²	28.4	4%	0.044	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	113.1	173	-177.2	-178.6	-70.2	0	0	108.6	L960 L964 W974 F996 S1000 Y1074	L960-M1054 HydrophobicContact CD1-SD 3.73Å; L964-M1054 HydrophobicContact CD2-CG 4.03Å; W974-M1054 HydrophobicContact CE3-CE 4.16Å; W974-M1054 HydrophobicContact CE3-SD 4.15Å; W974-M1054 HydrophobicContact CZ3-CE 4.26Å; W974-M1054 HydrophobicContact CZ3-SD 4.31Å; F996-M1054 HydrophobicContact CE2-CE 3.7Å; F996-M1054 HydrophobicContact CZ-CE 4.32Å; S1000-M1054 VanDerWaalsContact OG-CE 3.31Å; S1000-M1054 WeakPolarHBondContact OG-CE 3.4Å; M1054-Y1074 HydrophobicContact CB-CD2 4.41Å; M1054-Y1074 HydrophobicContact CE-CD2 4.39Å; M1054-Y1074 HydrophobicContact CE-CE1 4.29Å; M1054-Y1074 HydrophobicContact CE-CE2 3.99Å; M1054-Y1074 HydrophobicContact CG-CD1 4.45Å; M1054-Y1074 HydrophobicContact CG-CD2 3.6Å; M1054-Y1074 HydrophobicContact CG-CE2 4.11Å; M1054-Y1074 HydrophobicContact CG-CG 3.78Å; M1054-Y1074 HydrophobicContact SD-CG 4.47Å
1055	R	98.9	Very high	98.8	Very high	1 Å²	1	32.8 Å²	32.8	0%	0.004	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	133.1	-170.2	-51.7	167.8	-172.1	178.7	4.1	110.1	K714 E1042 P1052 M1059 E1060 Y1074 M1075 G1077 D1078	K714-R1055 VanDerWaalsContact NZ-NH1 3.14Å; E1042-R1055 IonicContact OE2-CZ 3.33Å; E1042-R1055 IonicContact OE2-NH2 3.17Å; E1042-R1055 PolarHBondContact OE2-NH2 2.9Å; P1052-R1055 HydrophobicContact CG-CG 4.27Å; P1052-R1055 WeakPolarHBondContact O-CG 3.24Å; P1052-R1055 PolarHBondContact O-NE 3.39Å; R1055-M1059 HydrophobicContact CB-SD 4.12Å; R1055-M1059 HydrophobicContact CG-SD 4.13Å; R1055-E1060 WeakPolarHBondContact CD-OE2 3.28Å; R1055-E1060 IonicContact CZ-OE2 2.86Å; R1055-E1060 IonicContact NE-OE2 3.93Å; R1055-E1060 IonicContact NH1-OE1 3.05Å; R1055-E1060 IonicContact NH1-OE2 3.71Å; R1055-E1060 PolarHBondContact NH1-OE2 3.47Å; R1055-Y1074 WeakPolarHBondContact O-CA 3.43Å; R1055-Y1074 WeakPolarHBondContact O-CB 3.19Å; R1055-M1075 HydrophobicContact CB-CB 4.19Å; R1055-M1075 PolarHBondContact N-O 3.03Å; R1055-M1075 PolarHBondContact O-N 3.24Å; R1055-G1077 PolarHBondContact NH1-O 3.18Å; R1055-D1078 IonicContact CZ-OD1 2.99Å; R1055-D1078 VanDerWaalsContact NH1-CA 3.29Å; R1055-D1078 IonicContact NH1-OD1 2.77Å; R1055-D1078 PolarHBondContact NH1-OD1 3.07Å; R1055-D1078 IonicContact NH2-OD1 3.06Å; R1055-D1078 PolarHBondContact NH2-OD1 3.42Å
1056	A	98.9	Very high	98.8	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.008	18%	0.182	C	C	.	.			trans	-61.4	146.4	167.9	0	0	0	0	0	109.2	L638 L964 L968 M1058 M1059 E1060	L638-A1056 HydrophobicContact CD2-CB 4.45Å; L964-A1056 HydrophobicContact CD2-CB 4.16Å; L968-A1056 HydrophobicContact CD1-CB 3.74Å; L968-A1056 HydrophobicContact CG-CB 4.35Å; A1056-M1058 HydrophobicContact CB-CG 4.14Å; A1056-M1058 PolarHBondContact O-N 2.92Å; A1056-M1059 VanDerWaalsContact O-CB 3.31Å; A1056-M1059 WeakPolarHBondContact O-CB 3.41Å; A1056-M1059 PolarHBondContact O-N 3.29Å; A1056-E1060 PolarHBondContact O-N 3.14Å
1057	M	98.9	Very high	98.8	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-58.3	-38.6	-177.7	-61.3	-58.8	-62.5	0	0	111.6	M1059 E1060 F1061 C1067 L1070 Q1073 M1075 M1081 P1097	M1057-M1059 PolarHBondContact O-N 3.31Å; M1057-M1059 VanDerWaalsContact O-N 3.17Å; M1057-E1060 PolarHBondContact O-N 2.9Å; M1057-E1060 VanDerWaalsContact O-N 3.15Å; M1057-F1061 HydrophobicContact CE-CD2 3.79Å; M1057-F1061 HydrophobicContact CE-CE2 3.7Å; M1057-F1061 PolarHBondContact O-N 3.44Å; M1057-C1067 HydrophobicContact CB-CB 3.9Å; M1057-L1070 HydrophobicContact CB-CB 4.05Å; M1057-L1070 HydrophobicContact CB-CD1 3.78Å; M1057-L1070 HydrophobicContact CB-CG 4.47Å; M1057-L1070 HydrophobicContact CG-CB 3.87Å; M1057-L1070 HydrophobicContact CG-CD1 3.69Å; M1057-L1070 HydrophobicContact CG-CG 4.44Å; M1057-Q1073 HydrophobicContact CG-CG 3.78Å; M1057-Q1073 HydrophobicContact SD-CG 4.15Å; M1057-M1075 HydrophobicContact CE-CG 4.2Å; M1057-M1075 HydrophobicContact CE-SD 4.11Å; M1057-M1075 HydrophobicContact SD-CG 3.83Å; M1057-M1075 HydrophobicContact SD-SD 4.24Å; M1057-M1081 HydrophobicContact CE-CG 4.21Å; M1057-M1081 HydrophobicContact SD-CG 4.26Å; M1057-P1097 HydrophobicContact CE-CG 3.72Å
1058	M	98.8	Very high	98.8	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.015	17%	0.172	C	C	.	.	H	α-helix	trans	-61.5	-20.4	175.1	69.4	79.7	57.6	0	0	114.6	Y629 N669 P713 L968 A1056 P1062	Y629-M1058 HydrophobicContact CD1-CG 4.23Å; Y629-M1058 HydrophobicContact CD1-SD 4.3Å; Y629-M1058 HydrophobicContact CD2-CE 3.45Å; Y629-M1058 VanDerWaalsContact CD2-CE 3.45Å; Y629-M1058 HydrophobicContact CD2-SD 4.13Å; Y629-M1058 HydrophobicContact CE1-CE 4.26Å; Y629-M1058 HydrophobicContact CE1-CG 3.7Å; Y629-M1058 HydrophobicContact CE1-SD 4.24Å; Y629-M1058 HydrophobicContact CE2-CE 3.16Å; Y629-M1058 HydrophobicContact CE2-CG 4.3Å; Y629-M1058 HydrophobicContact CE2-SD 4.12Å; Y629-M1058 HydrophobicContact CG-CE 4.15Å; Y629-M1058 HydrophobicContact CG-SD 4.23Å; N669-M1058 HydrophobicContact CB-CE 4.07Å; P713-M1058 HydrophobicContact CG-CE 4.17Å; P713-M1058 HydrophobicContact CG-SD 4.49Å; L968-M1058 HydrophobicContact CD2-SD 3.72Å; A1056-M1058 HydrophobicContact CB-CG 4.14Å; A1056-M1058 PolarHBondContact O-N 2.92Å; M1058-P1062 VanDerWaalsContact O-CA 3.26Å; M1058-P1062 WeakPolarHBondContact O-CA 3.28Å
1059	M	98.9	Very high	98.8	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.015	18%	0.178	C	C	.	.	H	α-helix	trans	-79.7	-38.4	176.1	-178.4	-173.4	-64.3	0	0	111.6	P713 K714 L717 L968 P1052 R1055 A1056 M1057	P713-M1059 HydrophobicContact CB-CB 4.28Å; P713-M1059 HydrophobicContact CB-CG 4Å; K714-M1059 HydrophobicContact CG-CG 3.89Å; K714-M1059 HydrophobicContact CG-SD 4.44Å; L717-M1059 HydrophobicContact CD1-CE 3.34Å; L717-M1059 HydrophobicContact CD1-SD 4.05Å; L968-M1059 HydrophobicContact CD2-CE 3.47Å; L968-M1059 VanDerWaalsContact CD2-CE 3.47Å; L968-M1059 HydrophobicContact CG-CE 3.9Å; P1052-M1059 HydrophobicContact CG-CE 3.72Å; P1052-M1059 HydrophobicContact CG-SD 3.66Å; R1055-M1059 HydrophobicContact CB-SD 4.12Å; R1055-M1059 HydrophobicContact CG-SD 4.13Å; A1056-M1059 VanDerWaalsContact O-CB 3.31Å; A1056-M1059 WeakPolarHBondContact O-CB 3.41Å; A1056-M1059 PolarHBondContact O-N 3.29Å; M1057-M1059 PolarHBondContact O-N 3.31Å; M1057-M1059 VanDerWaalsContact O-N 3.17Å
1060	E	98.8	Very high	98.8	Very high	26 Å²	26	29.6 Å²	29.6	12%	0.121	16%	0.159	C	C	.	.	H	α-helix	trans	-82.2	-37.5	-179.1	-165.2	66.7	-140	0	0	111.8	K714 R1055 A1056 M1057 P1062 M1075	K714-E1060 WeakPolarHBondContact CE-OE2 3.3Å; K714-E1060 IonicContact NZ-OE1 3.84Å; K714-E1060 PolarHBondContact NZ-OE1 3.39Å; K714-E1060 IonicContact NZ-OE2 3.44Å; K714-E1060 PolarHBondContact NZ-OE2 3.34Å; R1055-E1060 WeakPolarHBondContact CD-OE2 3.28Å; R1055-E1060 IonicContact CZ-OE2 2.86Å; R1055-E1060 IonicContact NE-OE2 3.93Å; R1055-E1060 IonicContact NH1-OE1 3.05Å; R1055-E1060 IonicContact NH1-OE2 3.71Å; R1055-E1060 PolarHBondContact NH1-OE2 3.47Å; A1056-E1060 PolarHBondContact O-N 3.14Å; M1057-E1060 PolarHBondContact O-N 2.9Å; M1057-E1060 VanDerWaalsContact O-N 3.15Å; E1060-P1062 VanDerWaalsContact O-CD 3.3Å; E1060-P1062 WeakPolarHBondContact O-CD 3.09Å; E1060-M1075 HydrophobicContact CB-CB 4.44Å; E1060-M1075 HydrophobicContact CB-CG 3.87Å; E1060-M1075 HydrophobicContact CG-CB 4.46Å; E1060-M1075 HydrophobicContact CG-CE 4.4Å; E1060-M1075 HydrophobicContact CG-CG 3.91Å
1061	F	98.8	Very high	98.8	Very high	27 Å²	27	30.8 Å²	30.8	12%	0.118	17%	0.165	C	C	.	.			trans	-122.7	64.7	-176.8	-53.5	-83.4	0	0	0	110.3	M1057 D1063 D1064 M1075 P1097 W1101	M1057-F1061 HydrophobicContact CE-CD2 3.79Å; M1057-F1061 HydrophobicContact CE-CE2 3.7Å; M1057-F1061 PolarHBondContact O-N 3.44Å; F1061-D1063 PolarHBondContact O-N 2.95Å; F1061-D1064 HydrophobicContact CB-CB 4.1Å; F1061-D1064 PolarHBondContact O-N 2.95Å; F1061-M1075 HydrophobicContact CE2-CE 4.29Å; F1061-M1075 HydrophobicContact CE2-CG 3.86Å; F1061-M1075 HydrophobicContact CE2-SD 3.81Å; F1061-M1075 HydrophobicContact CZ-CE 4.3Å; F1061-M1075 HydrophobicContact CZ-SD 4.3Å; F1061-P1097 HydrophobicContact CB-CG 4.41Å; F1061-P1097 HydrophobicContact CD1-CB 3.59Å; F1061-P1097 HydrophobicContact CD1-CG 3.83Å; F1061-P1097 HydrophobicContact CD2-CB 4.21Å; F1061-P1097 HydrophobicContact CD2-CG 3.49Å; F1061-P1097 VanDerWaalsContact CD2-CG 3.49Å; F1061-P1097 HydrophobicContact CE1-CB 3.73Å; F1061-P1097 HydrophobicContact CE1-CG 3.91Å; F1061-P1097 HydrophobicContact CE2-CB 4.35Å; F1061-P1097 HydrophobicContact CE2-CG 3.59Å; F1061-P1097 HydrophobicContact CG-CB 3.85Å; F1061-P1097 HydrophobicContact CG-CG 3.63Å; F1061-P1097 HydrophobicContact CZ-CB 4.12Å; F1061-P1097 HydrophobicContact CZ-CG 3.8Å; F1061-W1101 HydrophobicContact CE1-CZ2 4.49Å; F1061-W1101 HydrophobicContact CE2-CH2 4.48Å; F1061-W1101 AromaticContact CZ-CH2 3.88Å; F1061-W1101 HydrophobicContact CZ-CH2 3.88Å; F1061-W1101 AromaticContact CZ-CZ2 3.96Å; F1061-W1101 HydrophobicContact CZ-CZ2 3.96Å
1062	P	98.7	Very high	98.8	Very high	33 Å²	33	35.9 Å²	35.9	21%	0.214	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-21.9	-172.9	28.5	-36.9	0	0	0	114.3	P713 M1058 E1060	P713-P1062 HydrophobicContact CG-CB 3.95Å; M1058-P1062 VanDerWaalsContact O-CA 3.26Å; M1058-P1062 WeakPolarHBondContact O-CA 3.28Å; E1060-P1062 VanDerWaalsContact O-CD 3.3Å; E1060-P1062 WeakPolarHBondContact O-CD 3.09Å
1063	D	98.6	Very high	98.8	Very high	154 Å²	154	36 Å²	36	82%	0.824	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-4.7	-179.7	-57.9	-51.3	0	0	0	112.8	F1061 P1065	F1061-D1063 PolarHBondContact O-N 2.95Å; D1063-P1065 WeakPolarHBondContact O-CD 3.21Å
1064	D	98.7	Very high	98.8	Very high	31 Å²	31	36 Å²	36	17%	0.166	18%	0.184	C	C	.	.			trans	-94.6	108.2	179.5	-172.6	-17.7	0	0	0	111	F1061 A1066 C1067 Y1095	F1061-D1064 HydrophobicContact CB-CB 4.1Å; F1061-D1064 PolarHBondContact O-N 2.95Å; D1064-A1066 PolarHBondContact O-N 3.48Å; D1064-A1066 VanDerWaalsContact O-N 3.16Å; D1064-A1066 VanDerWaalsContact OD1-CB 3.3Å; D1064-A1066 WeakPolarHBondContact OD1-CB 3.39Å; D1064-A1066 PolarHBondContact OD1-N 2.92Å; D1064-C1067 HydrophobicContact CB-CB 4.42Å; D1064-C1067 WeakPolarHBondContact O-CB 3.4Å; D1064-C1067 PolarHBondContact O-N 3.26Å; D1064-Y1095 VanDerWaalsContact CG-OH 3.3Å; D1064-Y1095 PolarHBondContact OD1-OH 3.23Å; D1064-Y1095 WeakPolarHBondContact OD2-CE1 3.49Å; D1064-Y1095 VanDerWaalsContact OD2-CZ 3.25Å; D1064-Y1095 PolarHBondContact OD2-OH 3.48Å
1065	P	98.2	Very high	98.8	Very high	103 Å²	103	35.5 Å²	35.5	67%	0.669	18%	0.182	S	C	*	.	G	3₁₀ helix	trans	-66.8	-17.6	-177.7	29.2	-36.3	0	0	0	113.5	D1063 C1067	D1063-P1065 WeakPolarHBondContact O-CD 3.21Å; P1065-C1067 PolarHBondContact O-N 3.22Å
1066	A	98.6	Very high	98.8	Very high	38 Å²	38	35.5 Å²	35.5	31%	0.314	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-70.7	-15.6	174	0	0	0	0	0	112.2	D1064 L1070 Y1095	D1064-A1066 PolarHBondContact O-N 3.48Å; D1064-A1066 VanDerWaalsContact O-N 3.16Å; D1064-A1066 VanDerWaalsContact OD1-CB 3.3Å; D1064-A1066 WeakPolarHBondContact OD1-CB 3.39Å; D1064-A1066 PolarHBondContact OD1-N 2.92Å; A1066-L1070 WeakPolarHBondContact O-CG 3.42Å; A1066-Y1095 HydrophobicContact CB-CD1 4.37Å; A1066-Y1095 HydrophobicContact CB-CD2 4.08Å; A1066-Y1095 HydrophobicContact CB-CE1 3.87Å; A1066-Y1095 HydrophobicContact CB-CE2 3.56Å; A1066-Y1095 HydrophobicContact CB-CG 4.46Å; A1066-Y1095 VanDerWaalsContact CB-CZ 3.43Å
1067	C	98.9	Very high	98.8	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.007	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-88.7	-11.5	-175.5	-70.4	0	0	0	0	115	M1057 D1064 P1065 Y1069 L1070	M1057-C1067 HydrophobicContact CB-CB 3.9Å; D1064-C1067 HydrophobicContact CB-CB 4.42Å; D1064-C1067 WeakPolarHBondContact O-CB 3.4Å; D1064-C1067 PolarHBondContact O-N 3.26Å; P1065-C1067 PolarHBondContact O-N 3.22Å; C1067-Y1069 VanDerWaalsContact C-N 3.3Å; C1067-Y1069 PolarHBondContact O-N 3.22Å; C1067-L1070 HydrophobicContact CB-CD1 4.31Å; C1067-L1070 PolarHBondContact O-N 3.37Å
1068	D	98.7	Very high	98.8	Very high	23 Å²	23	36.9 Å²	36.9	12%	0.123	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-42.1	-174.9	-80.4	-25.7	0	0	0	113.1	T627 Y629 V639 N669	T627-D1068 HydrophobicContact CG2-CB 4.44Å; Y629-D1068 WeakPolarHBondContact CE1-O 3.46Å; Y629-D1068 WeakPolarHBondContact OH-CA 3.39Å; Y629-D1068 PolarHBondContact OH-O 3.47Å; V639-D1068 WeakPolarHBondContact CG2-O 3.38Å; N669-D1068 PolarHBondContact ND2-OD1 2.72Å; N669-D1068 PolarHBondContact ND2-OD2 3.39Å
1069	Y	98.9	Very high	98.8	Very high	149 Å²	149	38.1 Å²	38.1	58%	0.584	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.6	10.2	-170.8	-62.9	-89.4	0	0	0	114.1	T627 V639 C1067 D1071	T627-Y1069 HydrophobicContact CG2-CE1 4.41Å; T627-Y1069 HydrophobicContact CG2-CE2 4.2Å; T627-Y1069 WeakPolarHBondContact CG2-OH 3.43Å; V639-Y1069 HydrophobicContact CB-CD1 4.04Å; V639-Y1069 HydrophobicContact CB-CE1 3.89Å; V639-Y1069 HydrophobicContact CG1-CE1 3.92Å; V639-Y1069 HydrophobicContact CG2-CD1 3.56Å; V639-Y1069 HydrophobicContact CG2-CE1 3.71Å; V639-Y1069 HydrophobicContact CG2-CG 4.29Å; C1067-Y1069 VanDerWaalsContact C-N 3.3Å; C1067-Y1069 PolarHBondContact O-N 3.22Å; Y1069-D1071 PolarHBondContact O-N 3.07Å
1070	L	98.9	Very high	98.8	Very high	11 Å²	11	38 Å²	38	6%	0.058	20%	0.195	C	C	.	.			trans	-74.9	109.6	-176.6	-62.3	-178.4	0	0	0	111.1	M1057 A1066 C1067 Q1073 Y1095 W1115	M1057-L1070 HydrophobicContact CB-CB 4.05Å; M1057-L1070 HydrophobicContact CB-CD1 3.78Å; M1057-L1070 HydrophobicContact CB-CG 4.47Å; M1057-L1070 HydrophobicContact CG-CB 3.87Å; M1057-L1070 HydrophobicContact CG-CD1 3.69Å; M1057-L1070 HydrophobicContact CG-CG 4.44Å; A1066-L1070 WeakPolarHBondContact O-CG 3.42Å; C1067-L1070 HydrophobicContact CB-CD1 4.31Å; C1067-L1070 PolarHBondContact O-N 3.37Å; L1070-Q1073 HydrophobicContact CB-CG 4.27Å; L1070-Y1095 HydrophobicContact CD1-CD1 3.7Å; L1070-Y1095 HydrophobicContact CD1-CG 4.05Å; L1070-W1115 HydrophobicContact CD2-CH2 3.4Å; L1070-W1115 VanDerWaalsContact CD2-CH2 3.4Å; L1070-W1115 HydrophobicContact CD2-CZ2 3.34Å; L1070-W1115 HydrophobicContact CD2-CZ3 4.49Å
1071	D	98.9	Very high	98.8	Very high	25 Å²	25	36.7 Å²	36.7	13%	0.134	19%	0.189	C	C	.	.			trans	-123.5	-2.7	-175.1	75.5	-31	0	0	0	114.3	L638 L960 R961 Y1069	L638-D1071 HydrophobicContact CB-CB 3.96Å; L638-D1071 HydrophobicContact CD2-CB 4.07Å; L960-D1071 WeakPolarHBondContact CD2-O 3.5Å; R961-D1071 WeakPolarHBondContact CD-OD2 3.43Å; R961-D1071 HydrophobicContact CG-CB 4.12Å; Y1069-D1071 PolarHBondContact O-N 3.07Å
1072	R	98.9	Very high	98.8	Very high	112 Å²	112	35.4 Å²	35.4	42%	0.423	18%	0.184	S	C	.	.	S	Bend	trans	-110	11.2	-179.7	-68	-175.6	-55.5	-76.7	8.2	113.8	F1086	R1072-F1086 HydrophobicContact CB-CE2 4Å; R1072-F1086 HydrophobicContact CG-CE2 4.2Å
1073	Q	98.9	Very high	98.8	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.019	17%	0.174	C	C	.	.			trans	-151.6	163.2	176.6	63.9	-179.6	87	0	0	109.1	M1057 L1070 M1081 V1082 A1083 Y1095	M1057-Q1073 HydrophobicContact CG-CG 3.78Å; M1057-Q1073 HydrophobicContact SD-CG 4.15Å; L1070-Q1073 HydrophobicContact CB-CG 4.27Å; Q1073-M1081 HydrophobicContact CB-SD 4.24Å; Q1073-V1082 WeakPolarHBondContact CA-O 3.35Å; Q1073-A1083 HydrophobicContact CB-CB 3.84Å; Q1073-Y1095 PolarHBondContact NE2-O 3.06Å
1074	Y	99	Very high	98.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	163	-179.1	59.5	-87.3	0	0	0	110.9	L960 F996 L999 M1054 R1055 L1076 V1082 P1084	L960-Y1074 HydrophobicContact CD1-CD1 3.7Å; L960-Y1074 HydrophobicContact CD1-CE1 4.1Å; L960-Y1074 HydrophobicContact CD2-CD1 4.42Å; F996-Y1074 AromaticContact CD2-CE1 3.92Å; F996-Y1074 HydrophobicContact CD2-CE1 3.92Å; F996-Y1074 AromaticContact CE2-CE1 3.82Å; F996-Y1074 HydrophobicContact CE2-CE1 3.82Å; L999-Y1074 WeakPolarHBondContact O-CE2 3.3Å; L999-Y1074 PolarHBondContact O-OH 3.08Å; M1054-Y1074 HydrophobicContact CB-CD2 4.41Å; M1054-Y1074 HydrophobicContact CE-CD2 4.39Å; M1054-Y1074 HydrophobicContact CE-CE1 4.29Å; M1054-Y1074 HydrophobicContact CE-CE2 3.99Å; M1054-Y1074 HydrophobicContact CG-CD1 4.45Å; M1054-Y1074 HydrophobicContact CG-CD2 3.6Å; M1054-Y1074 HydrophobicContact CG-CE2 4.11Å; M1054-Y1074 HydrophobicContact CG-CG 3.78Å; M1054-Y1074 HydrophobicContact SD-CG 4.47Å; R1055-Y1074 WeakPolarHBondContact O-CA 3.43Å; R1055-Y1074 WeakPolarHBondContact O-CB 3.19Å; Y1074-L1076 HydrophobicContact CD2-CB 4.34Å; Y1074-L1076 HydrophobicContact CE2-CB 4.02Å; Y1074-V1082 HydrophobicContact CD2-CB 4.37Å; Y1074-V1082 HydrophobicContact CE1-CB 4.05Å; Y1074-V1082 HydrophobicContact CE1-CG1 4.05Å; Y1074-V1082 HydrophobicContact CE2-CB 3.87Å; Y1074-V1082 HydrophobicContact CE2-CG1 4.42Å; Y1074-V1082 HydrophobicContact CE2-CG2 4.17Å; Y1074-V1082 PolarHBondContact N-O 3.05Å; Y1074-V1082 PolarHBondContact O-N 3.48Å; Y1074-V1082 WeakPolarHBondContact OH-CG1 3.38Å; Y1074-P1084 HydrophobicContact CE1-CG 3.82Å
1075	M	99	Very high	98.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	129	164	-63.1	-67.1	-63.9	0	0	108.8	R1055 M1057 E1060 F1061 D1078 V1080 M1081 W1101	R1055-M1075 HydrophobicContact CB-CB 4.19Å; R1055-M1075 PolarHBondContact N-O 3.03Å; R1055-M1075 PolarHBondContact O-N 3.24Å; M1057-M1075 HydrophobicContact CE-CG 4.2Å; M1057-M1075 HydrophobicContact CE-SD 4.11Å; M1057-M1075 HydrophobicContact SD-CG 3.83Å; M1057-M1075 HydrophobicContact SD-SD 4.24Å; E1060-M1075 HydrophobicContact CB-CB 4.44Å; E1060-M1075 HydrophobicContact CB-CG 3.87Å; E1060-M1075 HydrophobicContact CG-CB 4.46Å; E1060-M1075 HydrophobicContact CG-CE 4.4Å; E1060-M1075 HydrophobicContact CG-CG 3.91Å; F1061-M1075 HydrophobicContact CE2-CE 4.29Å; F1061-M1075 HydrophobicContact CE2-CG 3.86Å; F1061-M1075 HydrophobicContact CE2-SD 3.81Å; F1061-M1075 HydrophobicContact CZ-CE 4.3Å; F1061-M1075 HydrophobicContact CZ-SD 4.3Å; M1075-D1078 WeakPolarHBondContact CE-O 3.31Å; M1075-V1080 CarbonylContact C-O 3.5Å; M1075-V1080 WeakPolarHBondContact CA-O 3.32Å; M1075-M1081 VanDerWaalsContact SD-CA 3.56Å; M1075-M1081 HydrophobicContact SD-CB 3.57Å; M1075-M1081 VanDerWaalsContact SD-CB 3.57Å; M1075-M1081 HydrophobicContact SD-CG 4.09Å; M1075-W1101 HydrophobicContact CE-CH2 3.98Å; M1075-W1101 HydrophobicContact CE-CZ3 4.23Å; M1075-W1101 HydrophobicContact SD-CH2 4.03Å; M1075-W1101 HydrophobicContact SD-CZ3 4.38Å
1076	L	98.9	Very high	98.8	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.005	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	93.6	169	-178.3	61.5	0	0	0	107.6	L999 M1035 Y1038 L1039 M1053 Y1074 V1080 V1082	L999-L1076 HydrophobicContact CB-CD2 4.37Å; L999-L1076 HydrophobicContact CD2-CD2 4.12Å; L999-L1076 VanDerWaalsContact O-CD2 3.3Å; L999-L1076 WeakPolarHBondContact O-CD2 3.34Å; M1035-L1076 HydrophobicContact CE-CD2 4.47Å; Y1038-L1076 VanDerWaalsContact CE1-O 3.29Å; Y1038-L1076 WeakPolarHBondContact CE1-O 3.33Å; Y1038-L1076 VanDerWaalsContact CZ-O 3.3Å; Y1038-L1076 PolarHBondContact OH-O 3.06Å; L1039-L1076 HydrophobicContact CD2-CD1 4.1Å; L1039-L1076 HydrophobicContact CD2-CD2 3.63Å; L1039-L1076 HydrophobicContact CD2-CG 3.74Å; M1053-L1076 CarbonylContact O-C 3.55Å; M1053-L1076 WeakPolarHBondContact O-CA 3.09Å; Y1074-L1076 HydrophobicContact CD2-CB 4.34Å; Y1074-L1076 HydrophobicContact CE2-CB 4.02Å; L1076-V1080 PolarHBondContact N-O 3.05Å; L1076-V1082 HydrophobicContact CB-CG2 4.17Å
1077	G	98.8	Very high	98.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	76	-164.6	-168.9	0	0	0	0	0	113.7	Y1038 E1042 M1053 R1055	Y1038-G1077 VanDerWaalsContact OH-C 3.23Å; Y1038-G1077 VanDerWaalsContact OH-CA 3.25Å; Y1038-G1077 WeakPolarHBondContact OH-CA 3.44Å; E1042-G1077 WeakPolarHBondContact OE2-CA 3.28Å; M1053-G1077 PolarHBondContact O-N 3.49Å; R1055-G1077 PolarHBondContact NH1-O 3.18Å
1078	D	98.6	Very high	98.8	Very high	31 Å²	31	28.2 Å²	28.2	17%	0.166	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-32.2	-175.4	-68.8	-9.3	0	0	0	113.6	K714 Y1038 E1042 R1045 R1055 M1075	K714-D1078 IonicContact NZ-OD1 3.81Å; Y1038-D1078 PolarHBondContact OH-N 3.45Å; E1042-D1078 PolarHBondContact OE2-N 3.07Å; R1045-D1078 IonicContact CZ-OD2 3.23Å; R1045-D1078 IonicContact NE-OD1 2.76Å; R1045-D1078 IonicContact NE-OD2 3.71Å; R1045-D1078 PolarHBondContact NE-OD2 3.27Å; R1045-D1078 IonicContact NH1-OD2 3.11Å; R1045-D1078 IonicContact NH2-OD2 3.73Å; R1045-D1078 PolarHBondContact NH2-OD2 3.01Å; R1045-D1078 VanDerWaalsContact NH2-OD2 3.16Å; R1055-D1078 IonicContact CZ-OD1 2.99Å; R1055-D1078 VanDerWaalsContact NH1-CA 3.29Å; R1055-D1078 IonicContact NH1-OD1 2.77Å; R1055-D1078 PolarHBondContact NH1-OD1 3.07Å; R1055-D1078 IonicContact NH2-OD1 3.06Å; R1055-D1078 PolarHBondContact NH2-OD1 3.42Å; M1075-D1078 WeakPolarHBondContact CE-O 3.31Å
1079	N	98.8	Very high	98.8	Very high	28 Å²	28	30 Å²	30	15%	0.15	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.2	-13	-155.7	-61.1	-37.3	0	0	0	115.6	Y1038 V1129 R1130 T1133 L1135	Y1038-N1079 HydrophobicContact CE2-CB 4.29Å; Y1038-N1079 PolarHBondContact OH-N 3.44Å; N1079-V1129 WeakPolarHBondContact O-CA 3.46Å; N1079-R1130 HydrophobicContact CB-CG 4.25Å; N1079-R1130 PolarHBondContact O-N 3.22Å; N1079-T1133 HydrophobicContact CB-CG2 3.79Å; N1079-L1135 HydrophobicContact CB-CD1 4.39Å
1080	V	98.9	Very high	98.8	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	115.6	-171.1	-172.3	0	0	0	0	110.9	Y1038 M1075 L1076 V1082 V1127 Y1128 V1129 L1135	Y1038-V1080 HydrophobicContact CE1-CB 4.47Å; Y1038-V1080 HydrophobicContact CE1-CG2 3.86Å; M1075-V1080 CarbonylContact C-O 3.5Å; M1075-V1080 WeakPolarHBondContact CA-O 3.32Å; L1076-V1080 PolarHBondContact N-O 3.05Å; V1080-V1082 HydrophobicContact CG1-CG2 4.3Å; V1080-V1127 HydrophobicContact CG1-CG1 3.47Å; V1080-V1127 VanDerWaalsContact CG1-CG1 3.47Å; V1080-Y1128 CarbonylContact C-O 3.49Å; V1080-Y1128 WeakPolarHBondContact CA-O 3.38Å; V1080-V1129 HydrophobicContact CG2-CG2 4.36Å; V1080-L1135 HydrophobicContact CG2-CD1 4.42Å
1081	M	98.9	Very high	98.8	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	132.5	170	-171.8	-78.6	-72.1	0	0	109.7	M1057 Q1073 M1075 A1083 F1094 L1096 W1101 P1126 V1127 Y1128	M1057-M1081 HydrophobicContact CE-CG 4.21Å; M1057-M1081 HydrophobicContact SD-CG 4.26Å; Q1073-M1081 HydrophobicContact CB-SD 4.24Å; M1075-M1081 VanDerWaalsContact SD-CA 3.56Å; M1075-M1081 HydrophobicContact SD-CB 3.57Å; M1075-M1081 VanDerWaalsContact SD-CB 3.57Å; M1075-M1081 HydrophobicContact SD-CG 4.09Å; M1081-A1083 HydrophobicContact SD-CB 4.04Å; M1081-F1094 HydrophobicContact CE-CB 4.43Å; M1081-F1094 HydrophobicContact CE-CD2 3.35Å; M1081-F1094 HydrophobicContact CE-CE2 3.8Å; M1081-F1094 HydrophobicContact CE-CG 4.07Å; M1081-L1096 HydrophobicContact CE-CD2 3.42Å; M1081-L1096 VanDerWaalsContact CE-CD2 3.42Å; M1081-L1096 HydrophobicContact CE-CG 4.2Å; M1081-L1096 HydrophobicContact CG-CD2 4.47Å; M1081-W1101 HydrophobicContact CB-CE3 4.39Å; M1081-W1101 HydrophobicContact CB-CH2 4.24Å; M1081-W1101 HydrophobicContact CB-CZ3 3.75Å; M1081-P1126 HydrophobicContact CE-CB 4.49Å; M1081-V1127 CarbonylContact O-C 3.58Å; M1081-V1127 VanDerWaalsContact O-CA 3.28Å; M1081-V1127 WeakPolarHBondContact O-CA 3.34Å; M1081-Y1128 HydrophobicContact CE-CD2 3.93Å; M1081-Y1128 PolarHBondContact N-O 2.93Å; M1081-Y1128 PolarHBondContact O-N 3.4Å
1082	V	99	Very high	98.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	127.6	175.2	-176.1	0	0	0	0	109.5	L999 Q1073 Y1074 L1076 V1080 L1125 P1126 V1127	L999-V1082 HydrophobicContact CB-CG1 4.18Å; L999-V1082 HydrophobicContact CB-CG2 4.41Å; L999-V1082 HydrophobicContact CD1-CG1 3.86Å; L999-V1082 HydrophobicContact CD1-CG2 4.4Å; Q1073-V1082 WeakPolarHBondContact CA-O 3.35Å; Y1074-V1082 HydrophobicContact CD2-CB 4.37Å; Y1074-V1082 HydrophobicContact CE1-CB 4.05Å; Y1074-V1082 HydrophobicContact CE1-CG1 4.05Å; Y1074-V1082 HydrophobicContact CE2-CB 3.87Å; Y1074-V1082 HydrophobicContact CE2-CG1 4.42Å; Y1074-V1082 HydrophobicContact CE2-CG2 4.17Å; Y1074-V1082 PolarHBondContact N-O 3.05Å; Y1074-V1082 PolarHBondContact O-N 3.48Å; Y1074-V1082 WeakPolarHBondContact OH-CG1 3.38Å; L1076-V1082 HydrophobicContact CB-CG2 4.17Å; V1080-V1082 HydrophobicContact CG1-CG2 4.3Å; V1082-L1125 HydrophobicContact CG1-CD1 3.77Å; V1082-P1126 WeakPolarHBondContact CA-O 3.36Å; V1082-V1127 HydrophobicContact CG1-CG2 4.41Å; V1082-V1127 HydrophobicContact CG2-CG1 4.31Å; V1082-V1127 HydrophobicContact CG2-CG2 4.48Å
1083	A	98.9	Very high	98.8	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.008	13%	0.133	C	C	.	.			trans	-118.9	99.8	172.2	0	0	0	0	0	110.5	Q1073 M1081 V1092 F1094 P1126	Q1073-A1083 HydrophobicContact CB-CB 3.84Å; M1081-A1083 HydrophobicContact SD-CB 4.04Å; A1083-V1092 HydrophobicContact CB-CG2 4.33Å; A1083-F1094 HydrophobicContact CB-CB 3.69Å; A1083-F1094 HydrophobicContact CB-CD1 4.44Å; A1083-F1094 HydrophobicContact CB-CG 4.18Å; A1083-P1126 HydrophobicContact CB-CB 4.01Å; A1083-P1126 HydrophobicContact CB-CG 4.17Å; A1083-P1126 PolarHBondContact N-O 3.47Å; A1083-P1126 WeakPolarHBondContact O-CD 3.49Å
1084	P	98.9	Very high	98.8	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.006	13%	0.133	C	C	.	.			trans	-54.5	146.3	174.3	-27.4	36.7	0	0	0	113	M956 L960 F996 Y1074 F1086	M956-P1084 HydrophobicContact CE-CB 3.92Å; L960-P1084 HydrophobicContact CD2-CG 4.35Å; F996-P1084 HydrophobicContact CB-CB 4.15Å; F996-P1084 HydrophobicContact CB-CG 4.11Å; F996-P1084 HydrophobicContact CD2-CG 3.67Å; F996-P1084 HydrophobicContact CE2-CG 4.35Å; F996-P1084 HydrophobicContact CG-CB 4.33Å; F996-P1084 HydrophobicContact CG-CG 3.96Å; Y1074-P1084 HydrophobicContact CE1-CG 3.82Å; P1084-F1086 HydrophobicContact CB-CE2 3.86Å; P1084-F1086 HydrophobicContact CB-CZ 3.82Å; P1084-F1086 HydrophobicContact CG-CZ 4.48Å; P1084-F1086 VanDerWaalsContact O-CD2 3.28Å; P1084-F1086 WeakPolarHBondContact O-CD2 3.4Å; P1084-F1086 WeakPolarHBondContact O-CE2 3.34Å
1085	V	98.9	Very high	98.8	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.018	14%	0.135	C	C	.	.			trans	-95.3	118.9	-179.9	179.7	0	0	0	0	109.2	R992 V1092 H1120 L1125	R992-V1085 WeakPolarHBondContact CB-O 3.36Å; R992-V1085 WeakPolarHBondContact CG-O 3.21Å; V1085-V1092 HydrophobicContact CG2-CB 4.09Å; V1085-V1092 HydrophobicContact CG2-CG1 4.19Å; V1085-V1092 HydrophobicContact CG2-CG2 4.45Å; V1085-H1120 HydrophobicContact CG2-CB 4.39Å; V1085-L1125 HydrophobicContact CG2-CB 3.84Å
1086	F	98.8	Very high	98.8	Very high	36 Å²	36	25.1 Å²	25.1	16%	0.158	14%	0.135	C	C	.	.			trans	-102.6	30.9	-176	-62.2	-83	0	0	0	112.9	Y953 M956 A957 L960 R1072 P1084	Y953-F1086 HydrophobicContact CD1-CB 4.44Å; M956-F1086 HydrophobicContact CB-CD1 4.42Å; M956-F1086 HydrophobicContact CB-CE1 4.16Å; M956-F1086 HydrophobicContact CE-CE1 4.21Å; M956-F1086 HydrophobicContact CG-CD1 4.36Å; M956-F1086 HydrophobicContact CG-CE1 3.86Å; M956-F1086 HydrophobicContact SD-CD1 4.26Å; M956-F1086 HydrophobicContact SD-CE1 4.17Å; A957-F1086 HydrophobicContact CB-CD1 4.02Å; A957-F1086 HydrophobicContact CB-CE1 3.7Å; A957-F1086 HydrophobicContact CB-CZ 4.21Å; L960-F1086 HydrophobicContact CD2-CZ 4.11Å; R1072-F1086 HydrophobicContact CB-CE2 4Å; R1072-F1086 HydrophobicContact CG-CE2 4.2Å; P1084-F1086 HydrophobicContact CB-CE2 3.86Å; P1084-F1086 HydrophobicContact CB-CZ 3.82Å; P1084-F1086 HydrophobicContact CG-CZ 4.48Å; P1084-F1086 VanDerWaalsContact O-CD2 3.28Å; P1084-F1086 WeakPolarHBondContact O-CD2 3.4Å; P1084-F1086 WeakPolarHBondContact O-CE2 3.34Å
1087	T	98.7	Very high	98.8	Very high	47 Å²	47	25.1 Å²	25.1	29%	0.288	14%	0.135	S	C	.	.	S	Bend	trans	-142.8	152.4	-179.7	67.4	0	0	0	0	111.2	Y953 R992 G1090 D1091	Y953-T1087 VanDerWaalsContact OH-C 3.26Å; Y953-T1087 PolarHBondContact OH-O 3.4Å; R992-T1087 PolarHBondContact NE-O 2.96Å; T1087-G1090 PolarHBondContact OG1-N 3.45Å; T1087-G1090 VanDerWaalsContact OG1-N 3.17Å; T1087-D1091 PolarHBondContact OG1-N 3.28Å; T1087-D1091 PolarHBondContact OG1-O 3.34Å
1088	E	98.6	Very high	98.8	Very high	121 Å²	121	32.7 Å²	32.7	57%	0.565	17%	0.17	S	C	*	.	S	Bend	trans	-67.1	-51	173.3	174	166.7	-145.1	0	0	110.8	Y953 N988 R992 G1090	Y953-E1088 WeakPolarHBondContact OH-CA 3.43Å; Y953-E1088 PolarHBondContact OH-N 2.98Å; N988-E1088 HydrophobicContact CB-CB 4.06Å; N988-E1088 HydrophobicContact CB-CG 3.78Å; N988-E1088 PolarHBondContact ND2-OE1 3.5Å; N988-E1088 PolarHBondContact ND2-OE2 3.41Å; R992-E1088 PolarHBondContact NH2-O 3.46Å; E1088-G1090 PolarHBondContact O-N 2.95Å; E1088-G1090 VanDerWaalsContact O-N 3.09Å
1089	A	98.2	Very high	98.8	Very high	61 Å²	61	32 Å²	32	50%	0.504	17%	0.171	S	C	.	.	S	Bend	trans	-60.4	-21.9	-177.6	0	0	0	0	0	114.2	Q1119	A1089-Q1119 WeakPolarHBondContact O-CG 3.34Å; A1089-Q1119 PolarHBondContact O-NE2 3.19Å
1090	G	98.6	Very high	98.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.181	C	C	.	.			trans	101.2	-1	175.8	0	0	0	0	0	115.1	T1087 E1088 V1092 Q1119 H1120	T1087-G1090 PolarHBondContact OG1-N 3.45Å; T1087-G1090 VanDerWaalsContact OG1-N 3.17Å; E1088-G1090 PolarHBondContact O-N 2.95Å; E1088-G1090 VanDerWaalsContact O-N 3.09Å; G1090-V1092 PolarHBondContact O-N 3.36Å; G1090-Q1119 CarbonylContact O-C 3.41Å; G1090-Q1119 WeakPolarHBondContact O-CA 3.36Å; G1090-H1120 VanDerWaalsContact CA-O 3.26Å; G1090-H1120 WeakPolarHBondContact CA-O 3.49Å; G1090-H1120 PolarHBondContact O-N 3.34Å
1091	D	98.8	Very high	98.8	Very high	56 Å²	56	35.2 Å²	35.2	30%	0.299	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	132	174.6	-72.6	-88.3	0	0	0	111.1	T1087 K1117 Q1118	T1087-D1091 PolarHBondContact OG1-N 3.28Å; T1087-D1091 PolarHBondContact OG1-O 3.34Å; D1091-K1117 WeakPolarHBondContact OD1-CE 3.42Å; D1091-K1117 IonicContact OD1-NZ 2.67Å; D1091-K1117 PolarHBondContact OD1-NZ 2.96Å; D1091-Q1118 WeakPolarHBondContact CA-O 3.3Å
1092	V	98.9	Very high	98.7	Very high	12 Å²	12	35.2 Å²	35.2	7%	0.073	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	142.6	175.8	61.1	0	0	0	0	110.4	A1083 V1085 G1090 F1094 K1117 Q1118 P1126	A1083-V1092 HydrophobicContact CB-CG2 4.33Å; V1085-V1092 HydrophobicContact CG2-CB 4.09Å; V1085-V1092 HydrophobicContact CG2-CG1 4.19Å; V1085-V1092 HydrophobicContact CG2-CG2 4.45Å; G1090-V1092 PolarHBondContact O-N 3.36Å; V1092-F1094 HydrophobicContact CG1-CD1 4.41Å; V1092-F1094 HydrophobicContact CG2-CD1 4.41Å; V1092-K1117 WeakPolarHBondContact O-CA 3.44Å; V1092-Q1118 HydrophobicContact CG1-CB 4.3Å; V1092-Q1118 PolarHBondContact N-O 3.42Å; V1092-Q1118 PolarHBondContact O-N 3.19Å; V1092-P1126 HydrophobicContact CG1-CG 3.55Å; V1092-P1126 HydrophobicContact CG2-CG 4.26Å
1093	Q	98.9	Very high	98.7	Very high	116 Å²	116	35.3 Å²	35.3	54%	0.542	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	132.8	172.9	-70.2	-179.8	-27	0	0	109.1	W1115 H1116 K1117	Q1093-W1115 HydrophobicContact CB-CE3 4.38Å; Q1093-W1115 HydrophobicContact CB-CZ3 4.44Å; Q1093-H1116 VanDerWaalsContact CA-O 3.31Å; Q1093-H1116 WeakPolarHBondContact CA-O 3.26Å; Q1093-K1117 HydrophobicContact CG-CB 4.13Å; Q1093-K1117 HydrophobicContact CG-CG 3.94Å
1094	F	98.9	Very high	98.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	155.6	-178	59.4	-87	0	0	0	110.5	M1081 A1083 V1092 L1096 L1110 W1115 H1116 Q1118 P1126 Y1128	M1081-F1094 HydrophobicContact CE-CB 4.43Å; M1081-F1094 HydrophobicContact CE-CD2 3.35Å; M1081-F1094 HydrophobicContact CE-CE2 3.8Å; M1081-F1094 HydrophobicContact CE-CG 4.07Å; A1083-F1094 HydrophobicContact CB-CB 3.69Å; A1083-F1094 HydrophobicContact CB-CD1 4.44Å; A1083-F1094 HydrophobicContact CB-CG 4.18Å; V1092-F1094 HydrophobicContact CG1-CD1 4.41Å; V1092-F1094 HydrophobicContact CG2-CD1 4.41Å; F1094-L1096 HydrophobicContact CD2-CG 4.11Å; F1094-L1096 HydrophobicContact CE2-CD1 3.98Å; F1094-L1096 HydrophobicContact CE2-CD2 4.5Å; F1094-L1096 HydrophobicContact CE2-CG 3.92Å; F1094-L1110 HydrophobicContact CE2-CD1 4.02Å; F1094-L1110 HydrophobicContact CZ-CD1 3.8Å; F1094-W1115 VanDerWaalsContact C-CE3 3.41Å; F1094-W1115 CarbonylContact O-C 3.58Å; F1094-W1115 WeakPolarHBondContact O-CA 3.49Å; F1094-H1116 HydrophobicContact CD2-CB 4.35Å; F1094-H1116 HydrophobicContact CE1-CB 4.15Å; F1094-H1116 HydrophobicContact CE2-CB 3.82Å; F1094-H1116 HydrophobicContact CZ-CB 3.71Å; F1094-H1116 PolarHBondContact N-O 3.37Å; F1094-H1116 VanDerWaalsContact N-O 3.12Å; F1094-H1116 PolarHBondContact O-N 3.45Å; F1094-Q1118 HydrophobicContact CE1-CB 4.28Å; F1094-Q1118 HydrophobicContact CE1-CG 3.82Å; F1094-Q1118 HydrophobicContact CZ-CG 4.07Å; F1094-P1126 HydrophobicContact CD1-CB 3.88Å; F1094-P1126 HydrophobicContact CD1-CG 3.53Å; F1094-P1126 HydrophobicContact CE1-CB 3.69Å; F1094-P1126 HydrophobicContact CE1-CG 3.37Å; F1094-P1126 HydrophobicContact CE2-CB 4.39Å; F1094-P1126 HydrophobicContact CG-CB 4.32Å; F1094-P1126 HydrophobicContact CG-CG 4.39Å; F1094-P1126 HydrophobicContact CZ-CB 3.96Å; F1094-P1126 HydrophobicContact CZ-CG 4.12Å; F1094-Y1128 AromaticContact CE2-CD2 3.99Å; F1094-Y1128 HydrophobicContact CE2-CD2 3.99Å; F1094-Y1128 AromaticContact CE2-CE2 3.78Å; F1094-Y1128 HydrophobicContact CE2-CE2 3.78Å; F1094-Y1128 HydrophobicContact CZ-CD2 4.2Å; F1094-Y1128 AromaticContact CZ-CE2 3.55Å; F1094-Y1128 HydrophobicContact CZ-CE2 3.55Å
1095	Y	98.9	Very high	98.7	Very high	13 Å²	13	37.7 Å²	37.7	5%	0.051	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	138.8	174.8	177.4	-100.2	0	0	0	110.1	D1064 A1066 L1070 Q1073 P1097 R1114 W1115	D1064-Y1095 VanDerWaalsContact CG-OH 3.3Å; D1064-Y1095 PolarHBondContact OD1-OH 3.23Å; D1064-Y1095 WeakPolarHBondContact OD2-CE1 3.49Å; D1064-Y1095 VanDerWaalsContact OD2-CZ 3.25Å; D1064-Y1095 PolarHBondContact OD2-OH 3.48Å; A1066-Y1095 HydrophobicContact CB-CD1 4.37Å; A1066-Y1095 HydrophobicContact CB-CD2 4.08Å; A1066-Y1095 HydrophobicContact CB-CE1 3.87Å; A1066-Y1095 HydrophobicContact CB-CE2 3.56Å; A1066-Y1095 HydrophobicContact CB-CG 4.46Å; A1066-Y1095 VanDerWaalsContact CB-CZ 3.43Å; L1070-Y1095 HydrophobicContact CD1-CD1 3.7Å; L1070-Y1095 HydrophobicContact CD1-CG 4.05Å; Q1073-Y1095 PolarHBondContact NE2-O 3.06Å; Y1095-P1097 HydrophobicContact CD1-CG 4.29Å; Y1095-P1097 HydrophobicContact CE1-CB 4.24Å; Y1095-P1097 HydrophobicContact CE1-CG 3.96Å; Y1095-R1114 WeakPolarHBondContact CD2-O 3.44Å; Y1095-W1115 AromaticContact CD2-CD1 3.77Å; Y1095-W1115 HydrophobicContact CD2-CG 4.27Å; Y1095-W1115 AromaticContact CD2-NE1 3.82Å
1096	L	98.9	Very high	98.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	124.3	167.2	-77	174.9	0	0	0	108.9	M1081 F1094 W1101 L1110 G1112 S1113 R1114 Y1128	M1081-L1096 HydrophobicContact CE-CD2 3.42Å; M1081-L1096 VanDerWaalsContact CE-CD2 3.42Å; M1081-L1096 HydrophobicContact CE-CG 4.2Å; M1081-L1096 HydrophobicContact CG-CD2 4.47Å; F1094-L1096 HydrophobicContact CD2-CG 4.11Å; F1094-L1096 HydrophobicContact CE2-CD1 3.98Å; F1094-L1096 HydrophobicContact CE2-CD2 4.5Å; F1094-L1096 HydrophobicContact CE2-CG 3.92Å; L1096-W1101 HydrophobicContact CD1-CB 3.91Å; L1096-W1101 HydrophobicContact CD1-CG 3.95Å; L1096-W1101 HydrophobicContact CD2-CB 4.25Å; L1096-W1101 HydrophobicContact CD2-CD2 3.57Å; L1096-W1101 HydrophobicContact CD2-CE3 3.93Å; L1096-W1101 HydrophobicContact CD2-CG 3.71Å; L1096-W1101 HydrophobicContact CD2-CZ2 4.44Å; L1096-W1101 HydrophobicContact CD2-CZ3 4.48Å; L1096-W1101 HydrophobicContact CG-CG 4.28Å; L1096-L1110 HydrophobicContact CD1-CB 3.63Å; L1096-L1110 HydrophobicContact CD1-CD1 3.97Å; L1096-L1110 HydrophobicContact CD1-CG 4.47Å; L1096-G1112 CarbonylContact O-C 3.57Å; L1096-S1113 WeakPolarHBondContact O-CA 3.37Å; L1096-S1113 PolarHBondContact O-N 2.63Å; L1096-R1114 PolarHBondContact N-O 3.31Å; L1096-R1114 PolarHBondContact O-N 3.38Å; L1096-Y1128 HydrophobicContact CD1-CG 4.46Å; L1096-Y1128 HydrophobicContact CD2-CG 4.45Å
1097	P	98.8	Very high	98.6	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.006	21%	0.207	C	C	.	.			trans	-61.4	172.1	168.3	-21.7	33.5	0	0	0	112.2	M1057 F1061 Y1095 W1101 G1112 S1113	M1057-P1097 HydrophobicContact CE-CG 3.72Å; F1061-P1097 HydrophobicContact CB-CG 4.41Å; F1061-P1097 HydrophobicContact CD1-CB 3.59Å; F1061-P1097 HydrophobicContact CD1-CG 3.83Å; F1061-P1097 HydrophobicContact CD2-CB 4.21Å; F1061-P1097 HydrophobicContact CD2-CG 3.49Å; F1061-P1097 VanDerWaalsContact CD2-CG 3.49Å; F1061-P1097 HydrophobicContact CE1-CB 3.73Å; F1061-P1097 HydrophobicContact CE1-CG 3.91Å; F1061-P1097 HydrophobicContact CE2-CB 4.35Å; F1061-P1097 HydrophobicContact CE2-CG 3.59Å; F1061-P1097 HydrophobicContact CG-CB 3.85Å; F1061-P1097 HydrophobicContact CG-CG 3.63Å; F1061-P1097 HydrophobicContact CZ-CB 4.12Å; F1061-P1097 HydrophobicContact CZ-CG 3.8Å; Y1095-P1097 HydrophobicContact CD1-CG 4.29Å; Y1095-P1097 HydrophobicContact CE1-CB 4.24Å; Y1095-P1097 HydrophobicContact CE1-CG 3.96Å; P1097-W1101 HydrophobicContact CB-CZ2 4.38Å; P1097-W1101 HydrophobicContact CG-CZ2 4.26Å; P1097-W1101 PolarHBondContact O-NE1 3.44Å; P1097-G1112 WeakPolarHBondContact O-CA 3.46Å; P1097-S1113 PolarHBondContact O-N 3.32Å
1098	E	98.5	Very high	98.6	Very high	159 Å²	159	41.8 Å²	41.8	74%	0.743	21%	0.209	S	C	*	.	S	Bend	trans	-49.3	142.6	179.7	-171.6	172.4	-137.8	0	0	113	S1113	E1098-S1113 VanDerWaalsContact CA-OG 3.27Å; E1098-S1113 WeakPolarHBondContact CA-OG 3.32Å; E1098-S1113 WeakPolarHBondContact CB-OG 3.14Å
1099	G	98.2	Very high	98.6	Very high	17 Å²	17	39.1 Å²	39.1	18%	0.175	20%	0.196	C	C	.	.	S	Bend	trans	123.7	172.6	179.6	0	0	0	0	0	113.4	G1112 D1131	G1099-G1112 WeakPolarHBondContact O-CA 3.32Å; G1099-G1112 PolarHBondContact O-N 3.07Å; G1099-D1131 WeakPolarHBondContact CA-OD2 3.46Å
1100	R	98.6	Very high	98.7	Very high	95 Å²	95	37.7 Å²	37.7	36%	0.358	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	106.3	173.3	-176.9	177.1	-70.3	-81.6	-18.2	110.4	E1109 D1111 D1131 N1158	R1100-E1109 HydrophobicContact CG-CB 4.44Å; R1100-E1109 IonicContact NH1-OE2 3.71Å; R1100-D1111 IonicContact CZ-OD1 3.79Å; R1100-D1111 VanDerWaalsContact CZ-OD1 3.23Å; R1100-D1111 IonicContact CZ-OD2 2.69Å; R1100-D1111 IonicContact NE-OD1 2.74Å; R1100-D1111 IonicContact NH1-OD1 3.8Å; R1100-D1111 IonicContact NH1-OD2 3.67Å; R1100-D1111 IonicContact NH2-OD1 3.99Å; R1100-D1111 PolarHBondContact NH2-OD1 3.39Å; R1100-D1111 IonicContact NH2-OD2 3.88Å; R1100-D1111 PolarHBondContact NH2-OD2 2.88Å; R1100-D1131 PolarHBondContact N-OD2 2.81Å; R1100-D1131 WeakPolarHBondContact O-CB 3.33Å; R1100-N1158 WeakPolarHBondContact CG-ND2 3.47Å; R1100-N1158 PolarHBondContact O-ND2 3.39Å
1101	W	98.9	Very high	98.7	Very high	1 Å²	1	41.3 Å²	41.3	0%	0.004	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	145.4	-174.1	-65.3	78.1	0	0	0	111.4	F1061 M1075 M1081 L1096 P1097 E1109 L1110 Y1128 V1129 R1130	F1061-W1101 HydrophobicContact CE1-CZ2 4.49Å; F1061-W1101 HydrophobicContact CE2-CH2 4.48Å; F1061-W1101 AromaticContact CZ-CH2 3.88Å; F1061-W1101 HydrophobicContact CZ-CH2 3.88Å; F1061-W1101 AromaticContact CZ-CZ2 3.96Å; F1061-W1101 HydrophobicContact CZ-CZ2 3.96Å; M1075-W1101 HydrophobicContact CE-CH2 3.98Å; M1075-W1101 HydrophobicContact CE-CZ3 4.23Å; M1075-W1101 HydrophobicContact SD-CH2 4.03Å; M1075-W1101 HydrophobicContact SD-CZ3 4.38Å; M1081-W1101 HydrophobicContact CB-CE3 4.39Å; M1081-W1101 HydrophobicContact CB-CH2 4.24Å; M1081-W1101 HydrophobicContact CB-CZ3 3.75Å; L1096-W1101 HydrophobicContact CD1-CB 3.91Å; L1096-W1101 HydrophobicContact CD1-CG 3.95Å; L1096-W1101 HydrophobicContact CD2-CB 4.25Å; L1096-W1101 HydrophobicContact CD2-CD2 3.57Å; L1096-W1101 HydrophobicContact CD2-CE3 3.93Å; L1096-W1101 HydrophobicContact CD2-CG 3.71Å; L1096-W1101 HydrophobicContact CD2-CZ2 4.44Å; L1096-W1101 HydrophobicContact CD2-CZ3 4.48Å; L1096-W1101 HydrophobicContact CG-CG 4.28Å; P1097-W1101 HydrophobicContact CB-CZ2 4.38Å; P1097-W1101 HydrophobicContact CG-CZ2 4.26Å; P1097-W1101 PolarHBondContact O-NE1 3.44Å; W1101-E1109 CarbonylContact O-C 3.59Å; W1101-E1109 WeakPolarHBondContact O-CA 3.29Å; W1101-L1110 PolarHBondContact N-O 2.78Å; W1101-L1110 PolarHBondContact O-N 3.35Å; W1101-Y1128 HydrophobicContact CB-CD1 3.91Å; W1101-Y1128 HydrophobicContact CB-CG 4.34Å; W1101-V1129 CarbonylContact C-O 3.41Å; W1101-V1129 VanDerWaalsContact CA-O 3.31Å; W1101-V1129 WeakPolarHBondContact CA-O 3.43Å; W1101-V1129 VanDerWaalsContact CE3-C 3.46Å; W1101-R1130 HydrophobicContact CD2-CB 4.19Å; W1101-R1130 VanDerWaalsContact CE3-CA 3.47Å; W1101-R1130 HydrophobicContact CE3-CB 3.87Å; W1101-R1130 VanDerWaalsContact CE3-N 3.31Å; W1101-R1130 HydrophobicContact CH2-CB 3.72Å; W1101-R1130 HydrophobicContact CZ2-CB 4.01Å; W1101-R1130 HydrophobicContact CZ3-CB 3.64Å
1102	T	98.9	Very high	98.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	131.7	179.3	-51.2	0	0	0	0	110.3	L1104 N1107 D1108 E1109 V1129 F1157 N1158	T1102-L1104 PolarHBondContact O-N 3.48Å; T1102-N1107 WeakPolarHBondContact CG2-OD1 3.16Å; T1102-D1108 CarbonylContact C-O 3.59Å; T1102-D1108 WeakPolarHBondContact CA-O 3.4Å; T1102-E1109 HydrophobicContact CG2-CG 4.31Å; T1102-E1109 PolarHBondContact OG1-OE1 3.4Å; T1102-V1129 PolarHBondContact N-O 3.28Å; T1102-V1129 PolarHBondContact O-N 3.46Å; T1102-F1157 HydrophobicContact CG2-CD1 3.88Å; T1102-F1157 HydrophobicContact CG2-CE1 3.93Å; T1102-N1158 PolarHBondContact OG1-ND2 2.72Å; T1102-N1158 VanDerWaalsContact OG1-ND2 3.15Å
1103	H	98.9	Very high	98.6	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	135.9	176.8	-162.4	-53.9	0	0	0	111.1	W1105 H1106 N1107 D1108 H1120 L1125 V1127 Y1128 R1205	H1103-W1105 AromaticContact CE1-CD2 3.81Å; H1103-W1105 AromaticContact CE1-CE2 3.55Å; H1103-W1105 AromaticContact CE1-CH2 3.79Å; H1103-W1105 AromaticContact CE1-CZ2 3.55Å; H1103-W1105 PolarHBondContact O-N 3.21Å; H1103-H1106 HydrophobicContact CB-CB 4.05Å; H1103-H1106 AromaticContact CD2-CD2 3.76Å; H1103-H1106 AromaticContact CE1-CD2 3.5Å; H1103-H1106 PolarHBondContact CE1-CD2 3.39Å; H1103-H1106 VanDerWaalsContact CE1-CD2 3.5Å; H1103-H1106 AromaticContact CG-CD2 3.96Å; H1103-H1106 AromaticContact ND1-CD2 3.79Å; H1103-H1106 AromaticContact NE2-CD2 3.47Å; H1103-H1106 PolarHBondContact NE2-CD2 2.98Å; H1103-N1107 WeakPolarHBondContact O-CA 3.49Å; H1103-N1107 PolarHBondContact O-N 2.92Å; H1103-N1107 VanDerWaalsContact O-N 3.11Å; H1103-D1108 WeakPolarHBondContact CB-OD1 3.45Å; H1103-D1108 IonicContact CD2-OD1 2.8Å; H1103-D1108 IonicContact CG-OD1 3.21Å; H1103-D1108 PolarHBondContact N-O 3.38Å; H1103-H1120 AromaticContact NE2-CE1 3.98Å; H1103-L1125 PolarHBondContact NE2-O 3.13Å; H1103-V1127 CarbonylContact C-O 3.51Å; H1103-V1127 WeakPolarHBondContact CA-O 3.41Å; H1103-V1127 PolarHBondContact ND1-O 3Å; H1103-Y1128 HydrophobicContact CB-CD1 4.29Å; H1103-Y1128 HydrophobicContact CB-CE1 3.96Å; H1103-R1205 PolarHBondContact O-NH2 2.92Å
1104	L	98.7	Very high	98.6	Very high	7 Å²	7	43.8 Å²	43.8	4%	0.037	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-41.8	-170	177.7	62.4	0	0	0	114.1	L1031 M1035 T1102 V1127 V1129 L1135 R1205	L1031-L1104 HydrophobicContact CD1-CD2 4.13Å; M1035-L1104 HydrophobicContact CE-CD2 3.97Å; M1035-L1104 HydrophobicContact CG-CD2 4.46Å; M1035-L1104 HydrophobicContact SD-CD2 3.66Å; T1102-L1104 PolarHBondContact O-N 3.48Å; L1104-V1127 HydrophobicContact CB-CB 4.37Å; L1104-V1127 HydrophobicContact CB-CG1 3.84Å; L1104-V1127 HydrophobicContact CD2-CG1 3.87Å; L1104-V1127 PolarHBondContact N-O 3.2Å; L1104-V1129 HydrophobicContact CB-CG2 4.07Å; L1104-V1129 HydrophobicContact CD1-CG2 3.79Å; L1104-L1135 HydrophobicContact CD1-CD2 3.72Å; L1104-R1205 PolarHBondContact O-NH2 2.92Å
1105	W	98.4	Very high	98.6	Very high	45 Å²	45	49.6 Å²	49.6	17%	0.17	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-36.4	177.3	60.6	89.2	0	0	0	114.1	F1027 F1028 L1031 H1103 N1107 L1125 V1127	F1027-W1105 HydrophobicContact CE1-CH2 4.44Å; F1027-W1105 HydrophobicContact CE1-CZ2 4.06Å; F1027-W1105 HydrophobicContact CZ-CD2 4.12Å; F1027-W1105 AromaticContact CZ-CE2 3.84Å; F1027-W1105 HydrophobicContact CZ-CG 4.32Å; F1027-W1105 HydrophobicContact CZ-CZ2 4.25Å; F1027-W1105 AromaticContact CZ-NE1 3.85Å; F1028-W1105 HydrophobicContact CE1-CH2 4.13Å; L1031-W1105 HydrophobicContact CD1-CE3 4.47Å; L1031-W1105 HydrophobicContact CD2-CE3 3.95Å; L1031-W1105 HydrophobicContact CD2-CH2 4.18Å; L1031-W1105 HydrophobicContact CD2-CZ3 3.53Å; H1103-W1105 AromaticContact CE1-CD2 3.81Å; H1103-W1105 AromaticContact CE1-CE2 3.55Å; H1103-W1105 AromaticContact CE1-CH2 3.79Å; H1103-W1105 AromaticContact CE1-CZ2 3.55Å; H1103-W1105 PolarHBondContact O-N 3.21Å; W1105-N1107 VanDerWaalsContact C-N 3.27Å; W1105-N1107 PolarHBondContact O-N 2.9Å; W1105-L1125 HydrophobicContact CH2-CD2 3.87Å; W1105-L1125 HydrophobicContact CZ2-CD2 4.42Å; W1105-V1127 HydrophobicContact CH2-CB 3.83Å; W1105-V1127 HydrophobicContact CH2-CG2 3.44Å; W1105-V1127 VanDerWaalsContact CH2-CG2 3.44Å; W1105-V1127 HydrophobicContact CZ3-CB 3.59Å; W1105-V1127 HydrophobicContact CZ3-CG1 3.93Å; W1105-V1127 HydrophobicContact CZ3-CG2 3.62Å
1106	H	98.2	Very high	98.6	Very high	96 Å²	96	50.5 Å²	50.5	44%	0.444	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-22.9	177.2	-65.8	-43.6	0	0	0	113.9	H1103 D1108 S1124	H1103-H1106 HydrophobicContact CB-CB 4.05Å; H1103-H1106 AromaticContact CD2-CD2 3.76Å; H1103-H1106 AromaticContact CE1-CD2 3.5Å; H1103-H1106 PolarHBondContact CE1-CD2 3.39Å; H1103-H1106 VanDerWaalsContact CE1-CD2 3.5Å; H1103-H1106 AromaticContact CG-CD2 3.96Å; H1103-H1106 AromaticContact ND1-CD2 3.79Å; H1103-H1106 AromaticContact NE2-CD2 3.47Å; H1103-H1106 PolarHBondContact NE2-CD2 2.98Å; H1106-D1108 WeakPolarHBondContact CB-OD1 3.43Å; H1106-D1108 PolarHBondContact O-N 2.9Å; H1106-D1108 VanDerWaalsContact O-N 3.14Å; H1106-S1124 PolarHBondContact NE2-OG 3.38Å
1107	N	98.2	Very high	98.6	Very high	16 Å²	16	56.9 Å²	56.9	9%	0.086	27%	0.268	C	S	.	.			trans	67.5	2.6	175	-152.2	33.3	0	0	0	116	T1102 H1103 W1105 R1205 N1206 Q1223	T1102-N1107 WeakPolarHBondContact CG2-OD1 3.16Å; H1103-N1107 WeakPolarHBondContact O-CA 3.49Å; H1103-N1107 PolarHBondContact O-N 2.92Å; H1103-N1107 VanDerWaalsContact O-N 3.11Å; W1105-N1107 VanDerWaalsContact C-N 3.27Å; W1105-N1107 PolarHBondContact O-N 2.9Å; N1107-R1205 PolarHBondContact OD1-NE 3.33Å; N1107-R1205 PolarHBondContact OD1-NH1 3.15Å; N1107-R1205 PolarHBondContact OD1-NH2 3.31Å; N1107-N1206 PolarHBondContact ND2-OD1 3.21Å; N1107-N1206 PolarHBondContact O-ND2 3.07Å; N1107-N1206 VanDerWaalsContact O-ND2 3.09Å; N1107-N1206 PolarHBondContact O-OD1 2.89Å; N1107-N1206 PolarHBondContact OD1-OD1 3.13Å; N1107-Q1223 PolarHBondContact ND2-O 3.46Å
1108	D	98.4	Very high	98.6	Very high	60 Å²	60	58.8 Å²	58.8	32%	0.321	28%	0.277	S	S	.	.			trans	-66.2	153.7	171.1	63.3	-70.4	0	0	0	111.4	T1102 H1103 H1106 Y1128	T1102-D1108 CarbonylContact C-O 3.59Å; T1102-D1108 WeakPolarHBondContact CA-O 3.4Å; H1103-D1108 WeakPolarHBondContact CB-OD1 3.45Å; H1103-D1108 IonicContact CD2-OD1 2.8Å; H1103-D1108 IonicContact CG-OD1 3.21Å; H1103-D1108 PolarHBondContact N-O 3.38Å; H1106-D1108 WeakPolarHBondContact CB-OD1 3.43Å; H1106-D1108 PolarHBondContact O-N 2.9Å; H1106-D1108 VanDerWaalsContact O-N 3.14Å; D1108-Y1128 PolarHBondContact OD2-OH 3.27Å
1109	E	98.8	Very high	98.6	Very high	65 Å²	65	57.8 Å²	57.8	30%	0.304	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	140.1	-172.8	-58.2	-170.6	130.6	0	0	112.3	R1100 W1101 T1102 N1158 N1206	R1100-E1109 HydrophobicContact CG-CB 4.44Å; R1100-E1109 IonicContact NH1-OE2 3.71Å; W1101-E1109 CarbonylContact O-C 3.59Å; W1101-E1109 WeakPolarHBondContact O-CA 3.29Å; T1102-E1109 HydrophobicContact CG2-CG 4.31Å; T1102-E1109 PolarHBondContact OG1-OE1 3.4Å; E1109-N1158 PolarHBondContact OE1-ND2 3.03Å; E1109-N1158 PolarHBondContact OE1-OD1 2.73Å; E1109-N1158 VanDerWaalsContact OE1-OD1 3.1Å; E1109-N1206 VanDerWaalsContact CG-ND2 3.31Å; E1109-N1206 WeakPolarHBondContact CG-ND2 3.46Å; E1109-N1206 PolarHBondContact OE1-ND2 2.82Å
1110	L	98.7	Very high	98.6	Very high	31 Å²	31	57.7 Å²	57.7	16%	0.162	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	136.7	174.4	-67.3	-176.7	0	0	0	110.8	F1094 L1096 W1101 H1116 Y1128	F1094-L1110 HydrophobicContact CE2-CD1 4.02Å; F1094-L1110 HydrophobicContact CZ-CD1 3.8Å; L1096-L1110 HydrophobicContact CD1-CB 3.63Å; L1096-L1110 HydrophobicContact CD1-CD1 3.97Å; L1096-L1110 HydrophobicContact CD1-CG 4.47Å; W1101-L1110 PolarHBondContact N-O 2.78Å; W1101-L1110 PolarHBondContact O-N 3.35Å; L1110-H1116 HydrophobicContact CD1-CB 4.18Å; L1110-Y1128 HydrophobicContact CB-CE1 4.21Å; L1110-Y1128 HydrophobicContact CD1-CE1 3.87Å; L1110-Y1128 HydrophobicContact CD1-CE2 3.88Å; L1110-Y1128 WeakPolarHBondContact CD1-OH 3.22Å; L1110-Y1128 HydrophobicContact CG-CE1 3.86Å; L1110-Y1128 WeakPolarHBondContact CG-OH 3.28Å
1111	D	98.7	Very high	98.6	Very high	77 Å²	77	55.6 Å²	55.6	41%	0.412	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	138.5	170	-75.2	-56.7	0	0	0	111	R1100 H1116	R1100-D1111 IonicContact CZ-OD1 3.79Å; R1100-D1111 VanDerWaalsContact CZ-OD1 3.23Å; R1100-D1111 IonicContact CZ-OD2 2.69Å; R1100-D1111 IonicContact NE-OD1 2.74Å; R1100-D1111 IonicContact NH1-OD1 3.8Å; R1100-D1111 IonicContact NH1-OD2 3.67Å; R1100-D1111 IonicContact NH2-OD1 3.99Å; R1100-D1111 PolarHBondContact NH2-OD1 3.39Å; R1100-D1111 IonicContact NH2-OD2 3.88Å; R1100-D1111 PolarHBondContact NH2-OD2 2.88Å; D1111-H1116 PolarHBondContact O-CE1 2.95Å; D1111-H1116 VanDerWaalsContact O-CE1 3.3Å; D1111-H1116 PolarHBondContact O-NE2 3.39Å
1112	G	98.5	Very high	98.6	Very high	14 Å²	14	57 Å²	57	14%	0.144	28%	0.281	C	S	.	.	S	Bend	trans	-78.5	-162.9	-178.3	0	0	0	0	0	115.7	L1096 P1097 G1099 R1114	L1096-G1112 CarbonylContact O-C 3.57Å; P1097-G1112 WeakPolarHBondContact O-CA 3.46Å; G1099-G1112 WeakPolarHBondContact O-CA 3.32Å; G1099-G1112 PolarHBondContact O-N 3.07Å; G1112-R1114 PolarHBondContact O-N 3.25Å
1113	S	98.2	Very high	98.6	Very high	70 Å²	70	60.6 Å²	60.6	49%	0.49	30%	0.3	S	S	.	.	S	Bend	trans	55.1	30.3	-175.8	-54.6	0	0	0	0	113.8	L1096 P1097 E1098	L1096-S1113 WeakPolarHBondContact O-CA 3.37Å; L1096-S1113 PolarHBondContact O-N 2.63Å; P1097-S1113 PolarHBondContact O-N 3.32Å; E1098-S1113 VanDerWaalsContact CA-OG 3.27Å; E1098-S1113 WeakPolarHBondContact CA-OG 3.32Å; E1098-S1113 WeakPolarHBondContact CB-OG 3.14Å
1114	R	98.6	Very high	98.6	Very high	152 Å²	152	61.1 Å²	61.1	57%	0.574	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-161.2	163.1	-176.9	69.7	-170.4	-59.3	165.4	5.7	113.7	Y1095 L1096 G1112 H1116	Y1095-R1114 WeakPolarHBondContact CD2-O 3.44Å; L1096-R1114 PolarHBondContact N-O 3.31Å; L1096-R1114 PolarHBondContact O-N 3.38Å; G1112-R1114 PolarHBondContact O-N 3.25Å; R1114-H1116 WeakPolarHBondContact CG-NE2 3.44Å
1115	W	98.9	Very high	98.6	Very high	122 Å²	122	60.9 Å²	60.9	46%	0.462	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	146.6	168.7	-74	81.9	0	0	0	111.9	L1070 Q1093 F1094 Y1095	L1070-W1115 HydrophobicContact CD2-CH2 3.4Å; L1070-W1115 VanDerWaalsContact CD2-CH2 3.4Å; L1070-W1115 HydrophobicContact CD2-CZ2 3.34Å; L1070-W1115 HydrophobicContact CD2-CZ3 4.49Å; Q1093-W1115 HydrophobicContact CB-CE3 4.38Å; Q1093-W1115 HydrophobicContact CB-CZ3 4.44Å; F1094-W1115 VanDerWaalsContact C-CE3 3.41Å; F1094-W1115 CarbonylContact O-C 3.58Å; F1094-W1115 WeakPolarHBondContact O-CA 3.49Å; Y1095-W1115 AromaticContact CD2-CD1 3.77Å; Y1095-W1115 HydrophobicContact CD2-CG 4.27Å; Y1095-W1115 AromaticContact CD2-NE1 3.82Å
1116	H	98.9	Very high	98.6	Very high	31 Å²	31	58.8 Å²	58.8	14%	0.144	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	152.8	175.7	-65.6	-81.6	0	0	0	110.3	Q1093 F1094 L1110 D1111 R1114	Q1093-H1116 VanDerWaalsContact CA-O 3.31Å; Q1093-H1116 WeakPolarHBondContact CA-O 3.26Å; F1094-H1116 HydrophobicContact CD2-CB 4.35Å; F1094-H1116 HydrophobicContact CE1-CB 4.15Å; F1094-H1116 HydrophobicContact CE2-CB 3.82Å; F1094-H1116 HydrophobicContact CZ-CB 3.71Å; F1094-H1116 PolarHBondContact N-O 3.37Å; F1094-H1116 VanDerWaalsContact N-O 3.12Å; F1094-H1116 PolarHBondContact O-N 3.45Å; L1110-H1116 HydrophobicContact CD1-CB 4.18Å; D1111-H1116 PolarHBondContact O-CE1 2.95Å; D1111-H1116 VanDerWaalsContact O-CE1 3.3Å; D1111-H1116 PolarHBondContact O-NE2 3.39Å; R1114-H1116 WeakPolarHBondContact CG-NE2 3.44Å
1117	K	98.8	Very high	98.7	Very high	134 Å²	134	54.2 Å²	54.2	58%	0.583	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.3	128.3	171.2	-174.4	-175.6	178.2	-167.7	0	108.1	D1091 V1092 Q1093	D1091-K1117 WeakPolarHBondContact OD1-CE 3.42Å; D1091-K1117 IonicContact OD1-NZ 2.67Å; D1091-K1117 PolarHBondContact OD1-NZ 2.96Å; V1092-K1117 WeakPolarHBondContact O-CA 3.44Å; Q1093-K1117 HydrophobicContact CG-CB 4.13Å; Q1093-K1117 HydrophobicContact CG-CG 3.94Å
1118	Q	98.8	Very high	98.7	Very high	42 Å²	42	53.4 Å²	53.4	20%	0.196	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	167.4	177.2	-60.1	-166.2	129.2	0	0	110.8	D1091 V1092 F1094 H1120 Y1128	D1091-Q1118 WeakPolarHBondContact CA-O 3.3Å; V1092-Q1118 HydrophobicContact CG1-CB 4.3Å; V1092-Q1118 PolarHBondContact N-O 3.42Å; V1092-Q1118 PolarHBondContact O-N 3.19Å; F1094-Q1118 HydrophobicContact CE1-CB 4.28Å; F1094-Q1118 HydrophobicContact CE1-CG 3.82Å; F1094-Q1118 HydrophobicContact CZ-CG 4.07Å; Q1118-H1120 WeakPolarHBondContact CB-NE2 3.46Å; Q1118-H1120 PolarHBondContact NE2-NE2 3.08Å; Q1118-Y1128 PolarHBondContact NE2-OH 2.98Å; Q1118-Y1128 PolarHBondContact OE1-OH 2.83Å
1119	Q	98.7	Very high	98.7	Very high	138 Å²	138	50.6 Å²	50.6	65%	0.645	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.9	130	170.3	-169.9	-178.6	-27.4	0	0	109	A1089 G1090	A1089-Q1119 WeakPolarHBondContact O-CG 3.34Å; A1089-Q1119 PolarHBondContact O-NE2 3.19Å; G1090-Q1119 CarbonylContact O-C 3.41Å; G1090-Q1119 WeakPolarHBondContact O-CA 3.36Å
1120	H	98.8	Very high	98.7	Very high	15 Å²	15	51 Å²	51	7%	0.069	25%	0.253	C	S	.	.			trans	-125.8	134.6	-176.7	-71.3	-109.4	0	0	0	111.9	R992 V1085 G1090 H1103 Q1118 S1124 L1125	R992-H1120 PolarHBondContact NH1-O 3.29Å; R992-H1120 VanDerWaalsContact NH1-O 3.1Å; R992-H1120 PolarHBondContact NH2-O 2.92Å; V1085-H1120 HydrophobicContact CG2-CB 4.39Å; G1090-H1120 VanDerWaalsContact CA-O 3.26Å; G1090-H1120 WeakPolarHBondContact CA-O 3.49Å; G1090-H1120 PolarHBondContact O-N 3.34Å; H1103-H1120 AromaticContact NE2-CE1 3.98Å; Q1118-H1120 WeakPolarHBondContact CB-NE2 3.46Å; Q1118-H1120 PolarHBondContact NE2-NE2 3.08Å; H1120-S1124 WeakPolarHBondContact CB-O 3.22Å; H1120-S1124 PolarHBondContact ND1-OG 2.94Å; H1120-L1125 VanDerWaalsContact CE1-C 3.43Å; H1120-L1125 WeakPolarHBondContact ND1-CA 3.24Å; H1120-L1125 PolarHBondContact ND1-N 3.24Å
1121	G	98.4	Very high	98.7	Very high	50 Å²	50	50 Å²	50	52%	0.515	25%	0.248	S	C	.	.			trans	-65	176.6	164.9	0	0	0	0	0	112.2	R992 L1123 S1124	R992-G1121 PolarHBondContact NH1-O 3.4Å; G1121-L1123 VanDerWaalsContact C-N 3.33Å; G1121-L1123 PolarHBondContact O-N 3.03Å; G1121-S1124 PolarHBondContact O-N 3.29Å; G1121-S1124 VanDerWaalsContact O-N 3.15Å
1122	F	98.8	Very high	98.7	Very high	32 Å²	32	47.7 Å²	47.7	14%	0.14	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-23.9	-173.3	-65.8	-70.8	0	0	0	114.7	N988 K991 R992 E1020 V1024 S1124	N988-F1122 HydrophobicContact CB-CE1 3.85Å; N988-F1122 HydrophobicContact CB-CZ 3.84Å; K991-F1122 HydrophobicContact CB-CB 4.18Å; K991-F1122 HydrophobicContact CB-CD1 3.56Å; K991-F1122 HydrophobicContact CB-CE1 4.23Å; K991-F1122 HydrophobicContact CB-CG 4.05Å; K991-F1122 HydrophobicContact CD-CB 4.13Å; K991-F1122 HydrophobicContact CD-CD1 4.14Å; K991-F1122 HydrophobicContact CD-CD2 4.22Å; K991-F1122 HydrophobicContact CD-CG 3.9Å; K991-F1122 HydrophobicContact CG-CD1 4.43Å; R992-F1122 HydrophobicContact CG-CE1 4.44Å; E1020-F1122 WeakPolarHBondContact OE1-CD2 3.48Å; E1020-F1122 VanDerWaalsContact OE2-CD2 3.26Å; E1020-F1122 WeakPolarHBondContact OE2-CD2 3.43Å; V1024-F1122 HydrophobicContact CG2-CB 3.81Å; F1122-S1124 PolarHBondContact O-N 3.4Å
1123	L	98.8	Very high	98.7	Very high	74 Å²	74	47.2 Å²	47.2	39%	0.387	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	13	172	-70.7	168.6	0	0	0	113.3	D1023 V1024 F1027 G1121	D1023-L1123 HydrophobicContact CB-CD2 4.43Å; V1024-L1123 HydrophobicContact CG2-CD2 4.31Å; F1027-L1123 HydrophobicContact CB-CD2 3.55Å; F1027-L1123 HydrophobicContact CD1-CD2 4.47Å; F1027-L1123 HydrophobicContact CD2-CD2 4.36Å; F1027-L1123 HydrophobicContact CG-CD2 3.89Å; G1121-L1123 VanDerWaalsContact C-N 3.33Å; G1121-L1123 PolarHBondContact O-N 3.03Å
1124	S	98.8	Very high	98.8	Very high	13 Å²	13	44 Å²	44	9%	0.091	21%	0.207	C	C	.	.			trans	-150.4	152.8	-170	-165.7	0	0	0	0	112.8	H1106 H1120 G1121 F1122	H1106-S1124 PolarHBondContact NE2-OG 3.38Å; H1120-S1124 WeakPolarHBondContact CB-O 3.22Å; H1120-S1124 PolarHBondContact ND1-OG 2.94Å; G1121-S1124 PolarHBondContact O-N 3.29Å; G1121-S1124 VanDerWaalsContact O-N 3.15Å; F1122-S1124 PolarHBondContact O-N 3.4Å
1125	L	98.9	Very high	98.8	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	18%	0.18	C	C	.	.			trans	-162.3	161.4	169.3	72.2	174.3	0	0	0	107.4	A995 L999 F1028 V1082 V1085 H1103 W1105 H1120 V1127	A995-L1125 HydrophobicContact CB-CD1 4.14Å; A995-L1125 HydrophobicContact CB-CD2 4.13Å; L999-L1125 HydrophobicContact CD1-CD1 4.02Å; L999-L1125 HydrophobicContact CD1-CD2 3.82Å; L999-L1125 HydrophobicContact CD1-CG 4.35Å; F1028-L1125 HydrophobicContact CE1-CD2 3.56Å; F1028-L1125 HydrophobicContact CZ-CD2 3.7Å; V1082-L1125 HydrophobicContact CG1-CD1 3.77Å; V1085-L1125 HydrophobicContact CG2-CB 3.84Å; H1103-L1125 PolarHBondContact NE2-O 3.13Å; W1105-L1125 HydrophobicContact CH2-CD2 3.87Å; W1105-L1125 HydrophobicContact CZ2-CD2 4.42Å; H1120-L1125 VanDerWaalsContact CE1-C 3.43Å; H1120-L1125 WeakPolarHBondContact ND1-CA 3.24Å; H1120-L1125 PolarHBondContact ND1-N 3.24Å; L1125-V1127 HydrophobicContact CD2-CG2 3.56Å; L1125-V1127 HydrophobicContact CG-CG2 3.72Å; L1125-V1127 PolarHBondContact O-N 3.49Å
1126	P	98.9	Very high	98.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.159	C	C	.	.			trans	-56.6	110.6	171.7	-23.2	31.4	0	0	0	111.2	M1081 V1082 A1083 V1092 F1094 Y1128	M1081-P1126 HydrophobicContact CE-CB 4.49Å; V1082-P1126 WeakPolarHBondContact CA-O 3.36Å; A1083-P1126 HydrophobicContact CB-CB 4.01Å; A1083-P1126 HydrophobicContact CB-CG 4.17Å; A1083-P1126 PolarHBondContact N-O 3.47Å; A1083-P1126 WeakPolarHBondContact O-CD 3.49Å; V1092-P1126 HydrophobicContact CG1-CG 3.55Å; V1092-P1126 HydrophobicContact CG2-CG 4.26Å; F1094-P1126 HydrophobicContact CD1-CB 3.88Å; F1094-P1126 HydrophobicContact CD1-CG 3.53Å; F1094-P1126 HydrophobicContact CE1-CB 3.69Å; F1094-P1126 HydrophobicContact CE1-CG 3.37Å; F1094-P1126 HydrophobicContact CE2-CB 4.39Å; F1094-P1126 HydrophobicContact CG-CB 4.32Å; F1094-P1126 HydrophobicContact CG-CG 4.39Å; F1094-P1126 HydrophobicContact CZ-CB 3.96Å; F1094-P1126 HydrophobicContact CZ-CG 4.12Å; P1126-Y1128 HydrophobicContact CB-CD2 4.01Å; P1126-Y1128 HydrophobicContact CB-CE2 3.95Å
1127	V	98.9	Very high	98.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	90.9	171.9	-175.6	0	0	0	0	108	L999 V1080 M1081 V1082 H1103 L1104 W1105 L1125	L999-V1127 HydrophobicContact CD1-CG2 3.71Å; V1080-V1127 HydrophobicContact CG1-CG1 3.47Å; V1080-V1127 VanDerWaalsContact CG1-CG1 3.47Å; M1081-V1127 CarbonylContact O-C 3.58Å; M1081-V1127 VanDerWaalsContact O-CA 3.28Å; M1081-V1127 WeakPolarHBondContact O-CA 3.34Å; V1082-V1127 HydrophobicContact CG1-CG2 4.41Å; V1082-V1127 HydrophobicContact CG2-CG1 4.31Å; V1082-V1127 HydrophobicContact CG2-CG2 4.48Å; H1103-V1127 CarbonylContact C-O 3.51Å; H1103-V1127 WeakPolarHBondContact CA-O 3.41Å; H1103-V1127 PolarHBondContact ND1-O 3Å; L1104-V1127 HydrophobicContact CB-CB 4.37Å; L1104-V1127 HydrophobicContact CB-CG1 3.84Å; L1104-V1127 HydrophobicContact CD2-CG1 3.87Å; L1104-V1127 PolarHBondContact N-O 3.2Å; W1105-V1127 HydrophobicContact CH2-CB 3.83Å; W1105-V1127 HydrophobicContact CH2-CG2 3.44Å; W1105-V1127 VanDerWaalsContact CH2-CG2 3.44Å; W1105-V1127 HydrophobicContact CZ3-CB 3.59Å; W1105-V1127 HydrophobicContact CZ3-CG1 3.93Å; W1105-V1127 HydrophobicContact CZ3-CG2 3.62Å; L1125-V1127 HydrophobicContact CD2-CG2 3.56Å; L1125-V1127 HydrophobicContact CG-CG2 3.72Å; L1125-V1127 PolarHBondContact O-N 3.49Å
1128	Y	98.9	Very high	98.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	130.4	-170.2	-81.4	-81.1	0	0	0	111.5	V1080 M1081 F1094 L1096 W1101 H1103 D1108 L1110 Q1118 P1126	V1080-Y1128 CarbonylContact C-O 3.49Å; V1080-Y1128 WeakPolarHBondContact CA-O 3.38Å; M1081-Y1128 HydrophobicContact CE-CD2 3.93Å; M1081-Y1128 PolarHBondContact N-O 2.93Å; M1081-Y1128 PolarHBondContact O-N 3.4Å; F1094-Y1128 AromaticContact CE2-CD2 3.99Å; F1094-Y1128 HydrophobicContact CE2-CD2 3.99Å; F1094-Y1128 AromaticContact CE2-CE2 3.78Å; F1094-Y1128 HydrophobicContact CE2-CE2 3.78Å; F1094-Y1128 HydrophobicContact CZ-CD2 4.2Å; F1094-Y1128 AromaticContact CZ-CE2 3.55Å; F1094-Y1128 HydrophobicContact CZ-CE2 3.55Å; L1096-Y1128 HydrophobicContact CD1-CG 4.46Å; L1096-Y1128 HydrophobicContact CD2-CG 4.45Å; W1101-Y1128 HydrophobicContact CB-CD1 3.91Å; W1101-Y1128 HydrophobicContact CB-CG 4.34Å; H1103-Y1128 HydrophobicContact CB-CD1 4.29Å; H1103-Y1128 HydrophobicContact CB-CE1 3.96Å; D1108-Y1128 PolarHBondContact OD2-OH 3.27Å; L1110-Y1128 HydrophobicContact CB-CE1 4.21Å; L1110-Y1128 HydrophobicContact CD1-CE1 3.87Å; L1110-Y1128 HydrophobicContact CD1-CE2 3.88Å; L1110-Y1128 WeakPolarHBondContact CD1-OH 3.22Å; L1110-Y1128 HydrophobicContact CG-CE1 3.86Å; L1110-Y1128 WeakPolarHBondContact CG-OH 3.28Å; Q1118-Y1128 PolarHBondContact NE2-OH 2.98Å; Q1118-Y1128 PolarHBondContact OE1-OH 2.83Å; P1126-Y1128 HydrophobicContact CB-CD2 4.01Å; P1126-Y1128 HydrophobicContact CB-CE2 3.95Å
1129	V	98.9	Very high	98.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	132.2	173.7	-169.5	0	0	0	0	108.6	N1079 V1080 W1101 T1102 L1104 T1133 F1157	N1079-V1129 WeakPolarHBondContact O-CA 3.46Å; V1080-V1129 HydrophobicContact CG2-CG2 4.36Å; W1101-V1129 CarbonylContact C-O 3.41Å; W1101-V1129 VanDerWaalsContact CA-O 3.31Å; W1101-V1129 WeakPolarHBondContact CA-O 3.43Å; W1101-V1129 VanDerWaalsContact CE3-C 3.46Å; T1102-V1129 PolarHBondContact N-O 3.28Å; T1102-V1129 PolarHBondContact O-N 3.46Å; L1104-V1129 HydrophobicContact CB-CG2 4.07Å; L1104-V1129 HydrophobicContact CD1-CG2 3.79Å; V1129-T1133 HydrophobicContact CG1-CG2 3.65Å; V1129-F1157 HydrophobicContact CB-CD1 4.1Å; V1129-F1157 HydrophobicContact CB-CD2 4.39Å; V1129-F1157 HydrophobicContact CB-CE1 4.03Å; V1129-F1157 HydrophobicContact CB-CE2 4.36Å; V1129-F1157 HydrophobicContact CB-CG 4.25Å; V1129-F1157 HydrophobicContact CB-CZ 4.18Å; V1129-F1157 HydrophobicContact CG1-CB 4.45Å; V1129-F1157 HydrophobicContact CG1-CD1 4.29Å; V1129-F1157 HydrophobicContact CG1-CD2 3.75Å; V1129-F1157 HydrophobicContact CG1-CE1 4.42Å; V1129-F1157 HydrophobicContact CG1-CE2 3.94Å; V1129-F1157 HydrophobicContact CG1-CG 3.93Å; V1129-F1157 HydrophobicContact CG1-CZ 4.27Å; V1129-F1157 HydrophobicContact CG2-CE1 4.03Å; V1129-F1157 HydrophobicContact CG2-CE2 4.29Å; V1129-F1157 HydrophobicContact CG2-CZ 3.87Å
1130	R	98.4	Very high	98.7	Very high	75 Å²	75	22.2 Å²	22.2	28%	0.283	12%	0.124	S	C	.	.	P	Polyproline II helix	trans	-67.2	161.8	177.7	67.6	-178.4	-63.8	169	4.4	111.8	N1079 W1101 T1133	N1079-R1130 HydrophobicContact CB-CG 4.25Å; N1079-R1130 PolarHBondContact O-N 3.22Å; W1101-R1130 HydrophobicContact CD2-CB 4.19Å; W1101-R1130 VanDerWaalsContact CE3-CA 3.47Å; W1101-R1130 HydrophobicContact CE3-CB 3.87Å; W1101-R1130 VanDerWaalsContact CE3-N 3.31Å; W1101-R1130 HydrophobicContact CH2-CB 3.72Å; W1101-R1130 HydrophobicContact CZ2-CB 4.01Å; W1101-R1130 HydrophobicContact CZ3-CB 3.64Å; R1130-T1133 WeakPolarHBondContact CG-OG1 3.44Å; R1130-T1133 WeakPolarHBondContact O-CB 3.33Å; R1130-T1133 PolarHBondContact O-OG1 3.44Å; R1130-T1133 VanDerWaalsContact O-OG1 3.07Å
1131	D	98.5	Very high	98.7	Very high	10 Å²	10	24 Å²	24	5%	0.053	13%	0.134	C	C	.	.	S	Bend	trans	-63.8	171.1	169.4	60.7	23.1	0	0	0	112.4	G1099 R1100 T1133 N1158	G1099-D1131 WeakPolarHBondContact CA-OD2 3.46Å; R1100-D1131 PolarHBondContact N-OD2 2.81Å; R1100-D1131 WeakPolarHBondContact O-CB 3.33Å; D1131-T1133 PolarHBondContact O-N 3.35Å; D1131-T1133 PolarHBondContact O-OG1 2.65Å; D1131-N1158 HydrophobicContact CB-CB 3.79Å
1132	N	98.7	Very high	98.7	Very high	28 Å²	28	26 Å²	26	15%	0.15	13%	0.13	C	C	.	.	S	Bend	trans	52.8	32.5	179.9	-55.7	-62.7	0	0	0	113.5	F1157 N1158 Q1160 H1163 A1165	N1132-F1157 PolarHBondContact N-O 3.02Å; N1132-N1158 PolarHBondContact N-O 3.39Å; N1132-Q1160 PolarHBondContact ND2-OE1 3.21Å; N1132-Q1160 PolarHBondContact OD1-N 3.35Å; N1132-H1163 WeakPolarHBondContact OD1-CB 3.35Å; N1132-A1165 VanDerWaalsContact O-CB 3.27Å; N1132-A1165 WeakPolarHBondContact O-CB 3.38Å
1133	T	98.8	Very high	98.7	Very high	3 Å²	3	30 Å²	30	2%	0.018	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	134.9	-176.8	-68.5	0	0	0	0	111.1	N1079 V1129 R1130 D1131 L1135 L1156 F1157	N1079-T1133 HydrophobicContact CB-CG2 3.79Å; V1129-T1133 HydrophobicContact CG1-CG2 3.65Å; R1130-T1133 WeakPolarHBondContact CG-OG1 3.44Å; R1130-T1133 WeakPolarHBondContact O-CB 3.33Å; R1130-T1133 PolarHBondContact O-OG1 3.44Å; R1130-T1133 VanDerWaalsContact O-OG1 3.07Å; D1131-T1133 PolarHBondContact O-N 3.35Å; D1131-T1133 PolarHBondContact O-OG1 2.65Å; T1133-L1135 HydrophobicContact CG2-CB 4.12Å; T1133-L1135 HydrophobicContact CG2-CD1 4.22Å; T1133-L1156 WeakPolarHBondContact O-CA 3.49Å; T1133-F1157 HydrophobicContact CG2-CD2 4.37Å; T1133-F1157 PolarHBondContact N-O 3.16Å; T1133-F1157 PolarHBondContact O-N 3.06Å
1134	L	98.8	Very high	98.7	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.021	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	110.1	164.2	-174.7	62.9	0	0	0	108.2	F1154 H1155 L1156 A1165 C1167 L1180 L1202	L1134-F1154 HydrophobicContact CD1-CB 4.1Å; L1134-H1155 WeakPolarHBondContact CA-O 3.44Å; L1134-L1156 HydrophobicContact CB-CD1 4.24Å; L1134-L1156 HydrophobicContact CD1-CB 4.12Å; L1134-L1156 HydrophobicContact CD1-CD1 4.07Å; L1134-A1165 HydrophobicContact CB-CB 3.88Å; L1134-C1167 HydrophobicContact CB-CB 3.97Å; L1134-C1167 HydrophobicContact CD2-CB 3.73Å; L1134-C1167 HydrophobicContact CG-CB 3.62Å; L1134-C1167 VanDerWaalsContact O-CB 3.27Å; L1134-C1167 WeakPolarHBondContact O-CB 3.22Å; L1134-C1167 PolarHBondContact O-SG 3.42Å; L1134-C1167 VanDerWaalsContact O-SG 3.33Å; L1134-L1180 HydrophobicContact CD1-CD2 4.44Å; L1134-L1180 HydrophobicContact CD2-CB 3.89Å; L1134-L1180 HydrophobicContact CD2-CD2 3.93Å; L1134-L1180 HydrophobicContact CD2-CG 3.86Å; L1134-L1180 WeakPolarHBondContact CD2-O 3.37Å; L1134-L1202 HydrophobicContact CD1-CD1 3.57Å
1135	L	98.8	Very high	98.7	Very high	1 Å²	1	28 Å²	28	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	134.6	-172.3	-158.8	77.5	0	0	0	110.7	Y1038 N1079 V1080 L1104 T1133 L1137 F1154 H1155 F1157	Y1038-L1135 HydrophobicContact CD1-CD1 4.34Å; Y1038-L1135 HydrophobicContact CD2-CD1 3.46Å; Y1038-L1135 VanDerWaalsContact CD2-CD1 3.46Å; Y1038-L1135 HydrophobicContact CE2-CD1 3.76Å; Y1038-L1135 HydrophobicContact CG-CD1 3.76Å; N1079-L1135 HydrophobicContact CB-CD1 4.39Å; V1080-L1135 HydrophobicContact CG2-CD1 4.42Å; L1104-L1135 HydrophobicContact CD1-CD2 3.72Å; T1133-L1135 HydrophobicContact CG2-CB 4.12Å; T1133-L1135 HydrophobicContact CG2-CD1 4.22Å; L1135-L1137 HydrophobicContact CD2-CD2 4.17Å; L1135-F1154 CarbonylContact O-C 3.56Å; L1135-F1154 VanDerWaalsContact O-CA 3.29Å; L1135-F1154 WeakPolarHBondContact O-CA 3.2Å; L1135-H1155 PolarHBondContact N-O 3.42Å; L1135-H1155 PolarHBondContact O-N 3.07Å; L1135-F1157 HydrophobicContact CB-CE2 4.05Å; L1135-F1157 HydrophobicContact CD2-CE2 4.45Å
1136	A	98.8	Very high	98.6	Very high	2 Å²	2	29.6 Å²	29.6	2%	0.017	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	120.9	173.6	0	0	0	0	0	110.8	P1037 T1152 F1154 V1169	P1037-A1136 HydrophobicContact CB-CB 3.88Å; A1136-T1152 HydrophobicContact CB-CG2 3.78Å; A1136-F1154 HydrophobicContact CB-CD1 4.05Å; A1136-F1154 HydrophobicContact CB-CE1 3.9Å; A1136-V1169 HydrophobicContact CB-CG2 4.05Å
1137	L	98.8	Very high	98.6	Very high	9 Å²	9	33.3 Å²	33.3	5%	0.047	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	141.1	165.8	-58.9	-176.7	0	0	0	109.1	R1034 M1035 L1135 A1153	R1034-L1137 CarbonylContact O-C 3.46Å; R1034-L1137 VanDerWaalsContact O-CA 3.32Å; R1034-L1137 WeakPolarHBondContact O-CA 3.36Å; M1035-L1137 HydrophobicContact CG-CD2 3.92Å; L1135-L1137 HydrophobicContact CD2-CD2 4.17Å; L1137-A1153 PolarHBondContact N-O 2.74Å; L1137-A1153 PolarHBondContact O-N 3.39Å
1138	G	98.2	Very high	98.6	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.01	16%	0.163	C	C	.	.			trans	-86.5	171.7	177.5	0	0	0	0	0	112.8	R1034 Y1146	R1034-G1138 PolarHBondContact NE-O 3.07Å; R1034-G1138 PolarHBondContact O-N 3.38Å; G1138-Y1146 VanDerWaalsContact CA-OH 3.32Å; G1138-Y1146 WeakPolarHBondContact CA-OH 3.13Å
1139	N	98.2	Very high	98.6	Very high	103 Å²	103	34.7 Å²	34.7	55%	0.551	17%	0.168	S	C	*	.	S	Bend	trans	-96.8	4.3	-178.6	63.7	-11.1	0	0	0	113.6	E1150	N1139-E1150 PolarHBondContact ND2-O 3.5Å
1140	N	98.6	Very high	98.5	Very high	45 Å²	45	38.1 Å²	38.1	24%	0.241	18%	0.184	C	C	.	.			trans	-119.5	126.5	178.9	-167.3	-41	0	0	0	109.7	C1033 R1034 Q1142 R1143 Y1146	C1033-N1140 CarbonylContact C-O 3.58Å; R1034-N1140 PolarHBondContact N-O 2.9Å; N1140-Q1142 WeakPolarHBondContact OD1-CA 3.41Å; N1140-Q1142 PolarHBondContact OD1-N 2.9Å; N1140-R1143 PolarHBondContact OD1-N 3Å; N1140-Y1146 HydrophobicContact CB-CD1 3.81Å; N1140-Y1146 HydrophobicContact CB-CD2 3.72Å; N1140-Y1146 HydrophobicContact CB-CE1 3.83Å; N1140-Y1146 HydrophobicContact CB-CE2 3.72Å; N1140-Y1146 HydrophobicContact CB-CG 3.76Å; N1140-Y1146 PolarHBondContact O-OH 3.49Å
1141	D	98.6	Very high	98.5	Very high	52 Å²	52	35.5 Å²	35.5	28%	0.278	18%	0.18	S	C	.	.	S	Bend	trans	-113.6	6	178.7	70.3	-12.5	0	0	0	112.9	Q1030 R1034	Q1030-D1141 WeakPolarHBondContact CA-O 3.38Å; Q1030-D1141 HydrophobicContact CB-CB 3.83Å; Q1030-D1141 HydrophobicContact CG-CB 3.96Å; Q1030-D1141 WeakPolarHBondContact CG-O 3.31Å; R1034-D1141 HydrophobicContact CG-CB 3.75Å
1142	Q	98.5	Very high	98.5	Very high	92 Å²	92	35 Å²	35	43%	0.43	18%	0.178	S	C	.	.	S	Bend	trans	-102.5	-19.7	-177	-58.7	-56.1	-57.4	0	0	113.8	P765 H767 N1140	P765-Q1142 WeakPolarHBondContact CB-O 3.39Å; H767-Q1142 PolarHBondContact NE2-O 3.23Å; N1140-Q1142 WeakPolarHBondContact OD1-CA 3.41Å; N1140-Q1142 PolarHBondContact OD1-N 2.9Å
1143	R	98.6	Very high	98.5	Very high	117 Å²	117	34.7 Å²	34.7	44%	0.442	18%	0.178	S	C	.	.			trans	-150.7	152.8	176.9	68.7	-173.5	-64.3	168.7	-4.7	112.2	C1033 N1140 D1145 Y1146	C1033-R1143 VanDerWaalsContact SG-C 3.57Å; N1140-R1143 PolarHBondContact OD1-N 3Å; R1143-D1145 IonicContact CZ-OD1 3.47Å; R1143-D1145 IonicContact CZ-OD2 3.66Å; R1143-D1145 PolarHBondContact NE-O 3.41Å; R1143-D1145 IonicContact NE-OD1 2.86Å; R1143-D1145 PolarHBondContact NE-OD1 2.88Å; R1143-D1145 IonicContact NE-OD2 3.79Å; R1143-D1145 VanDerWaalsContact NH2-CG 3.25Å; R1143-D1145 IonicContact NH2-OD1 3.25Å; R1143-D1145 PolarHBondContact NH2-OD1 3.02Å; R1143-D1145 IonicContact NH2-OD2 2.71Å; R1143-D1145 PolarHBondContact NH2-OD2 3.37Å; R1143-Y1146 HydrophobicContact CG-CD1 4.34Å; R1143-Y1146 WeakPolarHBondContact O-CD1 3.46Å; R1143-Y1146 WeakPolarHBondContact O-CE1 3.44Å
1144	P	98.7	Very high	98.5	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.006	18%	0.178	C	C	.	.	S	Bend	trans	-79.8	-27	179.6	33.6	-39.3	0	0	0	113.4	A732 F735 H767 M1036 W1148	A732-P1144 WeakPolarHBondContact O-CG 3.04Å; F735-P1144 HydrophobicContact CB-CB 4.33Å; H767-P1144 WeakPolarHBondContact CD2-CD 3.18Å; H767-P1144 VanDerWaalsContact NE2-CD 3.34Å; H767-P1144 WeakPolarHBondContact NE2-CD 3.46Å; M1036-P1144 HydrophobicContact CE-CB 3.99Å; M1036-P1144 HydrophobicContact CG-CB 3.67Å; M1036-P1144 WeakPolarHBondContact CG-O 3.4Å; M1036-P1144 HydrophobicContact SD-CB 3.93Å; P1144-W1148 WeakPolarHBondContact O-CZ2 3.39Å; P1144-W1148 PolarHBondContact O-NE1 2.86Å
1145	D	98.3	Very high	98.5	Very high	44 Å²	44	34.8 Å²	34.8	24%	0.235	18%	0.178	C	C	.	.	S	Bend	trans	-105.2	92.9	-171.1	59.9	-33.7	0	0	0	111.1	A732 W733 R1143	A732-D1145 HydrophobicContact CB-CB 3.71Å; W733-D1145 HydrophobicContact CB-CB 4.47Å; R1143-D1145 IonicContact CZ-OD1 3.47Å; R1143-D1145 IonicContact CZ-OD2 3.66Å; R1143-D1145 PolarHBondContact NE-O 3.41Å; R1143-D1145 IonicContact NE-OD1 2.86Å; R1143-D1145 PolarHBondContact NE-OD1 2.88Å; R1143-D1145 IonicContact NE-OD2 3.79Å; R1143-D1145 VanDerWaalsContact NH2-CG 3.25Å; R1143-D1145 IonicContact NH2-OD1 3.25Å; R1143-D1145 PolarHBondContact NH2-OD1 3.02Å; R1143-D1145 IonicContact NH2-OD2 2.71Å; R1143-D1145 PolarHBondContact NH2-OD2 3.37Å
1146	Y	98.6	Very high	98.5	Very high	35 Å²	35	35 Å²	35	14%	0.137	18%	0.18	C	C	.	.	S	Bend	trans	-148.5	179.6	178.9	59.6	-82.2	0	0	0	110.2	C1033 M1036 G1138 N1140 R1143 W1148	C1033-Y1146 WeakPolarHBondContact O-CE1 3.46Å; C1033-Y1146 PolarHBondContact O-OH 3.39Å; M1036-Y1146 HydrophobicContact CB-CE1 4.44Å; G1138-Y1146 VanDerWaalsContact CA-OH 3.32Å; G1138-Y1146 WeakPolarHBondContact CA-OH 3.13Å; N1140-Y1146 HydrophobicContact CB-CD1 3.81Å; N1140-Y1146 HydrophobicContact CB-CD2 3.72Å; N1140-Y1146 HydrophobicContact CB-CE1 3.83Å; N1140-Y1146 HydrophobicContact CB-CE2 3.72Å; N1140-Y1146 HydrophobicContact CB-CG 3.76Å; N1140-Y1146 PolarHBondContact O-OH 3.49Å; R1143-Y1146 HydrophobicContact CG-CD1 4.34Å; R1143-Y1146 WeakPolarHBondContact O-CD1 3.46Å; R1143-Y1146 WeakPolarHBondContact O-CE1 3.44Å; Y1146-W1148 AromaticContact CD1-NE1 3.78Å; Y1146-W1148 AromaticContact CD2-CD1 3.8Å; Y1146-W1148 AromaticContact CE1-CD1 3.71Å; Y1146-W1148 AromaticContact CE1-NE1 3.58Å; Y1146-W1148 AromaticContact CE2-CD1 3.48Å; Y1146-W1148 VanDerWaalsContact CE2-CD1 3.48Å; Y1146-W1148 AromaticContact CZ-CD1 3.42Å; Y1146-W1148 VanDerWaalsContact CZ-CD1 3.42Å; Y1146-W1148 AromaticContact CZ-NE1 3.81Å; Y1146-W1148 PolarHBondContact O-N 3.46Å
1147	V	98.4	Very high	98.5	Very high	77 Å²	77	35 Å²	35	47%	0.467	18%	0.179	S	C	.	.			trans	-78.3	85	-177.9	-168.9	0	0	0	0	110.7	H1149 E1150	V1147-H1149 VanDerWaalsContact C-N 3.27Å; V1147-H1149 WeakPolarHBondContact CG1-CE1 3.48Å; V1147-H1149 PolarHBondContact O-N 3.38Å; V1147-E1150 HydrophobicContact CG1-CB 4.15Å; V1147-E1150 HydrophobicContact CG1-CG 3.7Å; V1147-E1150 PolarHBondContact O-N 3Å
1148	W	98.7	Very high	98.5	Very high	7 Å²	7	36.3 Å²	36.3	3%	0.027	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-27.7	-171.9	-62.3	-45.4	0	0	0	116	A732 M1036 P1037 Y1040 P1144 Y1146 E1150 T1152 V1169 P1170 A1171	A732-W1148 HydrophobicContact CB-CH2 3.71Å; A732-W1148 HydrophobicContact CB-CZ2 3.78Å; M1036-W1148 HydrophobicContact CB-CZ2 4.25Å; M1036-W1148 HydrophobicContact CE-CH2 4.36Å; M1036-W1148 HydrophobicContact CE-CZ2 3.69Å; P1037-W1148 HydrophobicContact CB-CB 3.98Å; P1037-W1148 HydrophobicContact CB-CG 4.24Å; P1037-W1148 HydrophobicContact CG-CB 3.79Å; P1037-W1148 HydrophobicContact CG-CG 3.88Å; Y1040-W1148 HydrophobicContact CD1-CE3 4.43Å; Y1040-W1148 AromaticContact CD1-CH2 3.2Å; Y1040-W1148 HydrophobicContact CD1-CH2 3.2Å; Y1040-W1148 HydrophobicContact CD1-CZ2 4.37Å; Y1040-W1148 AromaticContact CD1-CZ3 3.24Å; Y1040-W1148 HydrophobicContact CD1-CZ3 3.24Å; Y1040-W1148 AromaticContact CD2-CH2 3.82Å; Y1040-W1148 HydrophobicContact CD2-CH2 3.82Å; Y1040-W1148 HydrophobicContact CD2-CZ2 4.43Å; Y1040-W1148 AromaticContact CE1-CH2 3.61Å; Y1040-W1148 HydrophobicContact CE1-CH2 3.61Å; Y1040-W1148 AromaticContact CE1-CZ3 3.77Å; Y1040-W1148 HydrophobicContact CE1-CZ3 3.77Å; Y1040-W1148 HydrophobicContact CE2-CH2 4.2Å; Y1040-W1148 AromaticContact CG-CH2 3.27Å; Y1040-W1148 HydrophobicContact CG-CH2 3.27Å; Y1040-W1148 HydrophobicContact CG-CZ2 4.07Å; Y1040-W1148 AromaticContact CG-CZ3 3.71Å; Y1040-W1148 HydrophobicContact CG-CZ3 3.71Å; P1144-W1148 WeakPolarHBondContact O-CZ2 3.39Å; P1144-W1148 PolarHBondContact O-NE1 2.86Å; Y1146-W1148 AromaticContact CD1-NE1 3.78Å; Y1146-W1148 AromaticContact CD2-CD1 3.8Å; Y1146-W1148 AromaticContact CE1-CD1 3.71Å; Y1146-W1148 AromaticContact CE1-NE1 3.58Å; Y1146-W1148 AromaticContact CE2-CD1 3.48Å; Y1146-W1148 VanDerWaalsContact CE2-CD1 3.48Å; Y1146-W1148 AromaticContact CZ-CD1 3.42Å; Y1146-W1148 VanDerWaalsContact CZ-CD1 3.42Å; Y1146-W1148 AromaticContact CZ-NE1 3.81Å; Y1146-W1148 PolarHBondContact O-N 3.46Å; W1148-E1150 VanDerWaalsContact C-N 3.31Å; W1148-T1152 PolarHBondContact O-OG1 3.47Å; W1148-V1169 HydrophobicContact CB-CG1 4.15Å; W1148-P1170 HydrophobicContact CE3-CG 3.8Å; W1148-P1170 HydrophobicContact CZ3-CB 4.48Å; W1148-P1170 HydrophobicContact CZ3-CG 3.99Å; W1148-A1171 WeakPolarHBondContact CZ3-O 3.18Å
1149	H	98	Very high	98.5	Very high	22 Å²	22	36.7 Å²	36.7	10%	0.102	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-0.1	-178.3	65.5	-88	0	0	0	113.6	V1147 T1152 V1169 I1177 E1196 A1197 K1198	V1147-H1149 VanDerWaalsContact C-N 3.27Å; V1147-H1149 WeakPolarHBondContact CG1-CE1 3.48Å; V1147-H1149 PolarHBondContact O-N 3.38Å; H1149-T1152 WeakPolarHBondContact CA-OG1 3.33Å; H1149-V1169 HydrophobicContact CB-CG1 4Å; H1149-I1177 HydrophobicContact CB-CG2 3.85Å; H1149-E1196 PolarHBondContact CD2-O 3.33Å; H1149-A1197 HydrophobicContact CB-CB 4.44Å; H1149-A1197 CarbonylContact O-C 3.5Å; H1149-A1197 VanDerWaalsContact O-CA 3.23Å; H1149-A1197 WeakPolarHBondContact O-CA 3.32Å; H1149-A1197 WeakPolarHBondContact O-CB 3.37Å; H1149-K1198 PolarHBondContact O-N 3.43Å
1150	E	98.2	Very high	98.5	Very high	73 Å²	73	35.7 Å²	35.7	34%	0.341	18%	0.18	S	C	.	.	B	Isolated β-bridge	trans	-109.3	122	174.4	-63.2	-166.3	166.1	0	0	110.6	N1139 V1147 W1148 T1152 K1198	N1139-E1150 PolarHBondContact ND2-O 3.5Å; V1147-E1150 HydrophobicContact CG1-CB 4.15Å; V1147-E1150 HydrophobicContact CG1-CG 3.7Å; V1147-E1150 PolarHBondContact O-N 3Å; W1148-E1150 VanDerWaalsContact C-N 3.31Å; E1150-T1152 VanDerWaalsContact C-N 3.31Å; E1150-K1198 WeakPolarHBondContact CA-O 3.41Å; E1150-K1198 HydrophobicContact CG-CB 4.17Å; E1150-K1198 HydrophobicContact CG-CG 4.47Å; E1150-K1198 IonicContact OE1-NZ 2.82Å; E1150-K1198 PolarHBondContact OE1-NZ 2.84Å
1151	G	97.9	Very high	98.5	Very high	20 Å²	20	37.9 Å²	37.9	21%	0.206	19%	0.192	C	C	.	.	S	Bend	trans	73.5	19.8	-176	0	0	0	0	0	114.2	A1153 K1198	G1151-A1153 PolarHBondContact O-N 3.23Å; G1151-K1198 PolarHBondContact N-O 2.92Å
1152	T	98.5	Very high	98.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.211	C	C	.	.			trans	-58.5	129.6	179.4	-39.4	0	0	0	0	111.5	A1136 W1148 H1149 E1150 F1154 V1169 W1200 T1201	A1136-T1152 HydrophobicContact CB-CG2 3.78Å; W1148-T1152 PolarHBondContact O-OG1 3.47Å; H1149-T1152 WeakPolarHBondContact CA-OG1 3.33Å; E1150-T1152 VanDerWaalsContact C-N 3.31Å; T1152-F1154 HydrophobicContact CG2-CD1 4.33Å; T1152-F1154 HydrophobicContact CG2-CD2 4.29Å; T1152-F1154 HydrophobicContact CG2-CE1 3.93Å; T1152-F1154 HydrophobicContact CG2-CE2 3.9Å; T1152-F1154 HydrophobicContact CG2-CG 4.5Å; T1152-F1154 HydrophobicContact CG2-CZ 3.69Å; T1152-V1169 HydrophobicContact CG2-CG2 4.43Å; T1152-W1200 CarbonylContact O-C 3.57Å; T1152-W1200 WeakPolarHBondContact O-CA 3.37Å; T1152-W1200 WeakPolarHBondContact O-CB 3.42Å; T1152-T1201 PolarHBondContact O-N 3.01Å
1153	A	98.7	Very high	98.4	Very high	20 Å²	20	38.2 Å²	38.2	17%	0.165	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	102.8	169	0	0	0	0	0	108.8	L1137 G1151 H1155	L1137-A1153 PolarHBondContact N-O 2.74Å; L1137-A1153 PolarHBondContact O-N 3.39Å; G1151-A1153 PolarHBondContact O-N 3.23Å; A1153-H1155 PolarHBondContact O-CD2 3.46Å; A1153-H1155 VanDerWaalsContact O-CD2 3.25Å
1154	F	98.7	Very high	98.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	141.8	171.5	-63.3	-78.8	0	0	0	110.2	L1134 L1135 A1136 T1152 C1167 V1169 F1178 L1180 W1200 T1201 L1202 C1203	L1134-F1154 HydrophobicContact CD1-CB 4.1Å; L1135-F1154 CarbonylContact O-C 3.56Å; L1135-F1154 VanDerWaalsContact O-CA 3.29Å; L1135-F1154 WeakPolarHBondContact O-CA 3.2Å; A1136-F1154 HydrophobicContact CB-CD1 4.05Å; A1136-F1154 HydrophobicContact CB-CE1 3.9Å; T1152-F1154 HydrophobicContact CG2-CD1 4.33Å; T1152-F1154 HydrophobicContact CG2-CD2 4.29Å; T1152-F1154 HydrophobicContact CG2-CE1 3.93Å; T1152-F1154 HydrophobicContact CG2-CE2 3.9Å; T1152-F1154 HydrophobicContact CG2-CG 4.5Å; T1152-F1154 HydrophobicContact CG2-CZ 3.69Å; F1154-C1167 HydrophobicContact CD1-CB 4.29Å; F1154-C1167 HydrophobicContact CE1-CB 4.25Å; F1154-V1169 HydrophobicContact CE1-CG2 3.69Å; F1154-V1169 HydrophobicContact CZ-CG2 3.76Å; F1154-F1178 HydrophobicContact CE2-CD1 4.45Å; F1154-F1178 AromaticContact CE2-CE1 3.93Å; F1154-F1178 HydrophobicContact CE2-CE1 3.93Å; F1154-F1178 AromaticContact CZ-CD1 3.77Å; F1154-F1178 HydrophobicContact CZ-CD1 3.77Å; F1154-F1178 AromaticContact CZ-CE1 3.62Å; F1154-F1178 HydrophobicContact CZ-CE1 3.62Å; F1154-L1180 HydrophobicContact CB-CD2 3.97Å; F1154-L1180 HydrophobicContact CD1-CB 4.48Å; F1154-L1180 HydrophobicContact CD1-CD2 3.83Å; F1154-L1180 HydrophobicContact CD2-CD2 3.55Å; F1154-L1180 HydrophobicContact CE1-CB 4.17Å; F1154-L1180 HydrophobicContact CE1-CD2 4.18Å; F1154-L1180 HydrophobicContact CE2-CD2 3.91Å; F1154-L1180 HydrophobicContact CG-CD2 3.49Å; F1154-L1180 VanDerWaalsContact CG-CD2 3.49Å; F1154-L1180 HydrophobicContact CZ-CB 4.3Å; F1154-L1180 HydrophobicContact CZ-CD2 4.22Å; F1154-W1200 HydrophobicContact CD2-CB 4.07Å; F1154-W1200 HydrophobicContact CD2-CD2 4.14Å; F1154-W1200 AromaticContact CD2-CE3 3.74Å; F1154-W1200 HydrophobicContact CD2-CE3 3.74Å; F1154-W1200 HydrophobicContact CD2-CG 4.33Å; F1154-W1200 HydrophobicContact CD2-CZ3 4.46Å; F1154-W1200 HydrophobicContact CE2-CB 3.71Å; F1154-W1200 AromaticContact CE2-CD2 3.94Å; F1154-W1200 HydrophobicContact CE2-CD2 3.94Å; F1154-W1200 HydrophobicContact CE2-CE3 4.02Å; F1154-W1200 AromaticContact CE2-CG 3.85Å; F1154-W1200 HydrophobicContact CE2-CG 3.85Å; F1154-T1201 WeakPolarHBondContact CB-O 3.29Å; F1154-T1201 PolarHBondContact N-O 3.17Å; F1154-L1202 HydrophobicContact CB-CD1 3.77Å; F1154-L1202 CarbonylContact O-C 3.39Å; F1154-L1202 WeakPolarHBondContact O-CA 3.47Å; F1154-C1203 PolarHBondContact O-N 3.27Å
1155	H	98.9	Very high	98.4	Very high	9 Å²	9	37.1 Å²	37.1	4%	0.042	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	120	176.8	-65.7	-97.2	0	0	0	109.1	L1134 L1135 A1153 F1157 C1203 R1205 Q1223	L1134-H1155 WeakPolarHBondContact CA-O 3.44Å; L1135-H1155 PolarHBondContact N-O 3.42Å; L1135-H1155 PolarHBondContact O-N 3.07Å; A1153-H1155 PolarHBondContact O-CD2 3.46Å; A1153-H1155 VanDerWaalsContact O-CD2 3.25Å; H1155-F1157 HydrophobicContact CB-CD2 4.23Å; H1155-F1157 HydrophobicContact CB-CE2 3.47Å; H1155-F1157 VanDerWaalsContact CB-CE2 3.47Å; H1155-F1157 HydrophobicContact CB-CZ 4.02Å; H1155-F1157 WeakPolarHBondContact O-CD2 3.41Å; H1155-C1203 WeakPolarHBondContact CA-O 3.43Å; H1155-C1203 WeakPolarHBondContact ND1-CB 3.48Å; H1155-R1205 HydrophobicContact CB-CG 4.15Å; H1155-Q1223 PolarHBondContact CE1-OE1 3.24Å
1156	L	98.8	Very high	98.4	Very high	7 Å²	7	38 Å²	38	4%	0.037	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	124.6	176.1	-173.7	68.7	0	0	0	109.5	T1133 L1134 L1159 A1165 A1182 I1189 L1202 C1203 L1204 R1205	T1133-L1156 WeakPolarHBondContact O-CA 3.49Å; L1134-L1156 HydrophobicContact CB-CD1 4.24Å; L1134-L1156 HydrophobicContact CD1-CB 4.12Å; L1134-L1156 HydrophobicContact CD1-CD1 4.07Å; L1156-L1159 HydrophobicContact CD1-CB 4.07Å; L1156-L1159 HydrophobicContact CD1-CD2 4.23Å; L1156-L1159 HydrophobicContact CD2-CB 4.01Å; L1156-L1159 HydrophobicContact CD2-CD2 3.97Å; L1156-L1159 HydrophobicContact CG-CB 4.1Å; L1156-A1165 HydrophobicContact CD1-CB 3.92Å; L1156-A1182 HydrophobicContact CD1-CB 3.87Å; L1156-A1182 HydrophobicContact CD2-CB 4.2Å; L1156-I1189 HydrophobicContact CD2-CD1 4.13Å; L1156-I1189 HydrophobicContact CD2-CG2 4.45Å; L1156-L1202 HydrophobicContact CB-CD1 4.16Å; L1156-C1203 PolarHBondContact N-O 3.19Å; L1156-L1204 HydrophobicContact CB-CD2 4.32Å; L1156-L1204 HydrophobicContact CD2-CD2 3.95Å; L1156-R1205 VanDerWaalsContact O-CB 3.3Å; L1156-R1205 WeakPolarHBondContact O-CB 3.49Å; L1156-R1205 WeakPolarHBondContact O-CG 3.28Å; L1156-R1205 PolarHBondContact O-N 2.76Å
1157	F	98.8	Very high	98.4	Very high	1 Å²	1	36.8 Å²	36.8	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	118.8	-177.3	-66.6	-94.5	0	0	0	110.3	T1102 V1129 N1132 T1133 L1135 H1155 L1159 R1205	T1102-F1157 HydrophobicContact CG2-CD1 3.88Å; T1102-F1157 HydrophobicContact CG2-CE1 3.93Å; V1129-F1157 HydrophobicContact CB-CD1 4.1Å; V1129-F1157 HydrophobicContact CB-CD2 4.39Å; V1129-F1157 HydrophobicContact CB-CE1 4.03Å; V1129-F1157 HydrophobicContact CB-CE2 4.36Å; V1129-F1157 HydrophobicContact CB-CG 4.25Å; V1129-F1157 HydrophobicContact CB-CZ 4.18Å; V1129-F1157 HydrophobicContact CG1-CB 4.45Å; V1129-F1157 HydrophobicContact CG1-CD1 4.29Å; V1129-F1157 HydrophobicContact CG1-CD2 3.75Å; V1129-F1157 HydrophobicContact CG1-CE1 4.42Å; V1129-F1157 HydrophobicContact CG1-CE2 3.94Å; V1129-F1157 HydrophobicContact CG1-CG 3.93Å; V1129-F1157 HydrophobicContact CG1-CZ 4.27Å; V1129-F1157 HydrophobicContact CG2-CE1 4.03Å; V1129-F1157 HydrophobicContact CG2-CE2 4.29Å; V1129-F1157 HydrophobicContact CG2-CZ 3.87Å; N1132-F1157 PolarHBondContact N-O 3.02Å; T1133-F1157 HydrophobicContact CG2-CD2 4.37Å; T1133-F1157 PolarHBondContact N-O 3.16Å; T1133-F1157 PolarHBondContact O-N 3.06Å; L1135-F1157 HydrophobicContact CB-CE2 4.05Å; L1135-F1157 HydrophobicContact CD2-CE2 4.45Å; H1155-F1157 HydrophobicContact CB-CD2 4.23Å; H1155-F1157 HydrophobicContact CB-CE2 3.47Å; H1155-F1157 VanDerWaalsContact CB-CE2 3.47Å; H1155-F1157 HydrophobicContact CB-CZ 4.02Å; H1155-F1157 WeakPolarHBondContact O-CD2 3.41Å; F1157-L1159 VanDerWaalsContact C-N 3.31Å; F1157-L1159 PolarHBondContact O-N 3.22Å; F1157-L1159 VanDerWaalsContact O-N 3.1Å; F1157-R1205 HydrophobicContact CD1-CB 3.93Å; F1157-R1205 HydrophobicContact CD1-CG 3.77Å; F1157-R1205 HydrophobicContact CD2-CG 4.32Å; F1157-R1205 HydrophobicContact CE1-CB 4.17Å; F1157-R1205 HydrophobicContact CE1-CG 3.63Å; F1157-R1205 HydrophobicContact CE2-CG 4.15Å; F1157-R1205 HydrophobicContact CG-CB 4.42Å; F1157-R1205 HydrophobicContact CG-CG 4.15Å; F1157-R1205 HydrophobicContact CZ-CG 3.82Å
1158	N	98.3	Very high	98.5	Very high	37 Å²	37	36.1 Å²	36.1	20%	0.198	20%	0.204	C	C	.	.			trans	44.1	49.5	167.7	-66.2	-24.6	0	0	0	114.8	R1100 T1102 E1109 D1131 N1132 Q1160	R1100-N1158 WeakPolarHBondContact CG-ND2 3.47Å; R1100-N1158 PolarHBondContact O-ND2 3.39Å; T1102-N1158 PolarHBondContact OG1-ND2 2.72Å; T1102-N1158 VanDerWaalsContact OG1-ND2 3.15Å; E1109-N1158 PolarHBondContact OE1-ND2 3.03Å; E1109-N1158 PolarHBondContact OE1-OD1 2.73Å; E1109-N1158 VanDerWaalsContact OE1-OD1 3.1Å; D1131-N1158 HydrophobicContact CB-CB 3.79Å; N1132-N1158 PolarHBondContact N-O 3.39Å; N1158-Q1160 PolarHBondContact O-N 2.72Å; N1158-Q1160 VanDerWaalsContact O-N 3.15Å
1159	L	98.6	Very high	98.5	Very high	9 Å²	9	35.8 Å²	35.8	5%	0.047	20%	0.203	C	C	.	.			trans	-68	110.8	177	-176.5	64.2	0	0	0	110.3	L1156 F1157 H1163 A1165 A1182 R1184 I1189	L1156-L1159 HydrophobicContact CD1-CB 4.07Å; L1156-L1159 HydrophobicContact CD1-CD2 4.23Å; L1156-L1159 HydrophobicContact CD2-CB 4.01Å; L1156-L1159 HydrophobicContact CD2-CD2 3.97Å; L1156-L1159 HydrophobicContact CG-CB 4.1Å; F1157-L1159 VanDerWaalsContact C-N 3.31Å; F1157-L1159 PolarHBondContact O-N 3.22Å; F1157-L1159 VanDerWaalsContact O-N 3.1Å; L1159-H1163 HydrophobicContact CD1-CB 4.13Å; L1159-A1165 HydrophobicContact CD1-CB 3.95Å; L1159-A1182 HydrophobicContact CD2-CB 3.9Å; L1159-R1184 HydrophobicContact CD2-CB 3.76Å; L1159-R1184 HydrophobicContact CG-CB 3.85Å; L1159-R1184 WeakPolarHBondContact O-CD 3.42Å; L1159-R1184 PolarHBondContact O-NH1 3.43Å; L1159-I1189 HydrophobicContact CD2-CD1 4.29Å; L1159-I1189 HydrophobicContact CD2-CG1 4.31Å; L1159-I1189 HydrophobicContact CD2-CG2 3.91Å
1160	Q	98.2	Very high	98.5	Very high	82 Å²	82	34.7 Å²	34.7	38%	0.383	20%	0.198	S	C	.	.			trans	-78.5	158	-178.8	-67.7	169.3	-36.2	0	0	111.7	N1132 N1158 H1163 R1184	N1132-Q1160 PolarHBondContact ND2-OE1 3.21Å; N1132-Q1160 PolarHBondContact OD1-N 3.35Å; N1158-Q1160 PolarHBondContact O-N 2.72Å; N1158-Q1160 VanDerWaalsContact O-N 3.15Å; Q1160-H1163 PolarHBondContact O-N 2.89Å; Q1160-R1184 WeakPolarHBondContact O-CB 3.43Å
1161	D	98.1	Very high	98.5	Very high	91 Å²	91	32.2 Å²	32.2	49%	0.487	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	134.9	175.5	-174.4	21.8	0	0	0	110.9	H1163 T1185 G1186	D1161-H1163 VanDerWaalsContact C-N 3.33Å; D1161-H1163 PolarHBondContact O-CD2 2.9Å; D1161-T1185 WeakPolarHBondContact OD1-CA 3.44Å; D1161-G1186 PolarHBondContact OD1-N 2.9Å
1162	G	97.8	Very high	98.4	Very high	65 Å²	65	35 Å²	35	67%	0.67	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.2	0.3	-176.5	0	0	0	0	0	115	R1184	G1162-R1184 PolarHBondContact N-O 2.91Å
1163	H	98.4	Very high	98.4	Very high	86 Å²	86	40.3 Å²	40.3	40%	0.398	24%	0.239	S	C	.	.			trans	-104.5	155.4	-179.3	-70.5	-111.3	0	0	0	112.9	N1132 L1159 Q1160 D1161 R1184	N1132-H1163 WeakPolarHBondContact OD1-CB 3.35Å; L1159-H1163 HydrophobicContact CD1-CB 4.13Å; Q1160-H1163 PolarHBondContact O-N 2.89Å; D1161-H1163 VanDerWaalsContact C-N 3.33Å; D1161-H1163 PolarHBondContact O-CD2 2.9Å; H1163-R1184 PolarHBondContact O-N 2.77Å
1164	E	98.4	Very high	98.3	Very high	93 Å²	93	39.8 Å²	39.8	44%	0.435	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	131.6	170.1	176.6	-178.7	-151.5	0	0	108.8	V1166 K1181 A1182 V1183	E1164-V1166 HydrophobicContact CG-CG2 3.84Å; E1164-K1181 VanDerWaalsContact OE1-CD 3.31Å; E1164-K1181 WeakPolarHBondContact OE1-CD 3.08Å; E1164-K1181 WeakPolarHBondContact OE1-CE 3.47Å; E1164-K1181 IonicContact OE1-NZ 2.78Å; E1164-K1181 PolarHBondContact OE1-NZ 3.27Å; E1164-K1181 IonicContact OE2-NZ 3.98Å; E1164-A1182 WeakPolarHBondContact CA-O 3.24Å; E1164-V1183 HydrophobicContact CB-CG2 4.11Å; E1164-V1183 HydrophobicContact CG-CG2 3.81Å
1165	A	98.7	Very high	98.3	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.008	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	130.2	167.5	0	0	0	0	0	109.8	N1132 L1134 L1156 L1159 K1181 A1182	N1132-A1165 VanDerWaalsContact O-CB 3.27Å; N1132-A1165 WeakPolarHBondContact O-CB 3.38Å; L1134-A1165 HydrophobicContact CB-CB 3.88Å; L1156-A1165 HydrophobicContact CD1-CB 3.92Å; L1159-A1165 HydrophobicContact CD1-CB 3.95Å; A1165-K1181 WeakPolarHBondContact O-CA 3.46Å; A1165-A1182 PolarHBondContact N-O 3.41Å; A1165-A1182 PolarHBondContact O-N 3.38Å
1166	V	98.7	Very high	98.3	Very high	63 Å²	63	45 Å²	45	38%	0.382	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	135.1	-178.1	-175	0	0	0	0	110	E1164 E1168 T1179 K1181	E1164-V1166 HydrophobicContact CG-CG2 3.84Å; V1166-E1168 HydrophobicContact CG1-CG 4.38Å; V1166-T1179 HydrophobicContact CG1-CG2 3.84Å; V1166-K1181 HydrophobicContact CG1-CG 4.29Å; V1166-K1181 HydrophobicContact CG2-CG 4.22Å
1167	C	98.8	Very high	98.2	Very high	10 Å²	10	46.7 Å²	46.7	7%	0.068	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	126.1	172.4	-166.1	0	0	0	0	109.9	L1134 F1154 T1179 L1180	L1134-C1167 HydrophobicContact CB-CB 3.97Å; L1134-C1167 HydrophobicContact CD2-CB 3.73Å; L1134-C1167 HydrophobicContact CG-CB 3.62Å; L1134-C1167 VanDerWaalsContact O-CB 3.27Å; L1134-C1167 WeakPolarHBondContact O-CB 3.22Å; L1134-C1167 PolarHBondContact O-SG 3.42Å; L1134-C1167 VanDerWaalsContact O-SG 3.33Å; F1154-C1167 HydrophobicContact CD1-CB 4.29Å; F1154-C1167 HydrophobicContact CE1-CB 4.25Å; C1167-T1179 CarbonylContact O-C 3.45Å; C1167-T1179 WeakPolarHBondContact O-CA 3.37Å; C1167-L1180 PolarHBondContact N-O 3.36Å; C1167-L1180 PolarHBondContact O-N 3.1Å
1168	E	98.7	Very high	98.2	Very high	62 Å²	62	46.8 Å²	46.8	29%	0.29	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	112.1	176.6	-67.3	177.8	148	0	0	108.6	R1041 V1166 V1176 T1179	R1041-E1168 HydrophobicContact CG-CB 4.22Å; R1041-E1168 WeakPolarHBondContact CG-O 3.33Å; R1041-E1168 IonicContact CZ-OE2 3.99Å; R1041-E1168 IonicContact NE-OE2 3.34Å; R1041-E1168 PolarHBondContact NE-OE2 3.24Å; R1041-E1168 IonicContact NH2-OE2 2.75Å; R1041-E1168 PolarHBondContact NH2-OE2 3.32Å; V1166-E1168 HydrophobicContact CG1-CG 4.38Å; E1168-V1176 HydrophobicContact CB-CG1 3.86Å; E1168-V1176 HydrophobicContact CB-CG2 4.02Å; E1168-V1176 HydrophobicContact CG-CG1 4.05Å; E1168-V1176 HydrophobicContact CG-CG2 4.3Å; E1168-T1179 HydrophobicContact CG-CG2 4.34Å
1169	V	98.8	Very high	98.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	129.1	175.4	-176.4	0	0	0	0	108.3	A1136 W1148 H1149 T1152 F1154 I1177 F1178	A1136-V1169 HydrophobicContact CB-CG2 4.05Å; W1148-V1169 HydrophobicContact CB-CG1 4.15Å; H1149-V1169 HydrophobicContact CB-CG1 4Å; T1152-V1169 HydrophobicContact CG2-CG2 4.43Å; F1154-V1169 HydrophobicContact CE1-CG2 3.69Å; F1154-V1169 HydrophobicContact CZ-CG2 3.76Å; V1169-I1177 HydrophobicContact CG1-CG2 4.47Å; V1169-I1177 WeakPolarHBondContact O-CG2 3.48Å; V1169-I1177 PolarHBondContact O-N 2.84Å; V1169-F1178 HydrophobicContact CB-CB 4.32Å; V1169-F1178 HydrophobicContact CG2-CD1 4.34Å; V1169-F1178 PolarHBondContact N-O 3.23Å; V1169-F1178 PolarHBondContact O-N 3.4Å
1170	P	98.7	Very high	98.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	155.7	-178.2	33.7	-32.6	0	0	0	112.2	P1037 Y1040 R1041 W1148 S1175	P1037-P1170 WeakPolarHBondContact O-CD 3.3Å; P1037-P1170 WeakPolarHBondContact O-CG 3.32Å; Y1040-P1170 HydrophobicContact CD1-CB 4.34Å; Y1040-P1170 HydrophobicContact CD1-CG 4.28Å; R1041-P1170 HydrophobicContact CB-CB 4.49Å; R1041-P1170 HydrophobicContact CB-CG 4.11Å; W1148-P1170 HydrophobicContact CE3-CG 3.8Å; W1148-P1170 HydrophobicContact CZ3-CB 4.48Å; W1148-P1170 HydrophobicContact CZ3-CG 3.99Å; P1170-S1175 CarbonylContact C-O 3.55Å; P1170-S1175 WeakPolarHBondContact CA-O 3.36Å
1171	A	98.3	Very high	98.3	Very high	21 Å²	21	45.8 Å²	45.8	17%	0.174	28%	0.275	C	S	.	.			trans	-81.9	174.9	155.9	0	0	0	0	0	110.5	W1148 D1173 G1174 S1175 I1177	W1148-A1171 WeakPolarHBondContact CZ3-O 3.18Å; A1171-D1173 WeakPolarHBondContact CB-OD1 3.25Å; A1171-D1173 PolarHBondContact O-N 3.5Å; A1171-G1174 PolarHBondContact O-N 3.46Å; A1171-S1175 PolarHBondContact N-O 3.35Å; A1171-I1177 HydrophobicContact CB-CB 4.18Å; A1171-I1177 HydrophobicContact CB-CD1 4.33Å
1172	A	96.4	Very high	98.3	Very high	78 Å²	78	41.5 Å²	41.5	65%	0.645	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-23.5	-178.3	0	0	0	0	0	114.1	Y1040 G1174	Y1040-A1172 WeakPolarHBondContact CE1-O 3.48Å; Y1040-A1172 PolarHBondContact OH-O 2.87Å; A1172-G1174 VanDerWaalsContact C-N 3.34Å
1173	D	96.8	Very high	98.3	Very high	111 Å²	111	40.8 Å²	40.8	59%	0.594	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.6	1.9	175.5	68	-4.3	0	0	0	113.6	L729 A1171 S1175	L729-D1173 VanDerWaalsContact CD2-O 3.26Å; L729-D1173 WeakPolarHBondContact CD2-O 2.98Å; A1171-D1173 WeakPolarHBondContact CB-OD1 3.25Å; A1171-D1173 PolarHBondContact O-N 3.5Å; D1173-S1175 VanDerWaalsContact C-N 3.32Å; D1173-S1175 PolarHBondContact O-N 2.96Å; D1173-S1175 VanDerWaalsContact OD1-CB 3.24Å; D1173-S1175 WeakPolarHBondContact OD1-CB 3.43Å; D1173-S1175 PolarHBondContact OD1-N 3.22Å; D1173-S1175 PolarHBondContact OD1-OG 3.18Å; D1173-S1175 PolarHBondContact OD2-OG 3.49Å
1174	G	97.1	Very high	98.3	Very high	9 Å²	9	39.2 Å²	39.2	9%	0.093	23%	0.225	C	C	.	.	S	Bend	trans	83.9	-4.4	-178.4	0	0	0	0	0	115.3	A1044 A1171 A1172	A1044-G1174 WeakPolarHBondContact CB-O 3.34Å; A1171-G1174 PolarHBondContact O-N 3.46Å; A1172-G1174 VanDerWaalsContact C-N 3.34Å
1175	S	98.1	Very high	98.3	Very high	58 Å²	58	39.7 Å²	39.7	41%	0.406	23%	0.234	S	C	.	.			trans	-66.9	155.1	172.8	68.9	0	0	0	0	111.4	P1170 A1171 D1173 I1177	P1170-S1175 CarbonylContact C-O 3.55Å; P1170-S1175 WeakPolarHBondContact CA-O 3.36Å; A1171-S1175 PolarHBondContact N-O 3.35Å; D1173-S1175 VanDerWaalsContact C-N 3.32Å; D1173-S1175 PolarHBondContact O-N 2.96Å; D1173-S1175 VanDerWaalsContact OD1-CB 3.24Å; D1173-S1175 WeakPolarHBondContact OD1-CB 3.43Å; D1173-S1175 PolarHBondContact OD1-N 3.22Å; D1173-S1175 PolarHBondContact OD1-OG 3.18Å; D1173-S1175 PolarHBondContact OD2-OG 3.49Å; S1175-I1177 PolarHBondContact O-N 2.83Å
1176	V	98.7	Very high	98.3	Very high	60 Å²	60	41 Å²	41	36%	0.364	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	111.9	-179.1	-178.8	0	0	0	0	109.8	E1168 T1179	E1168-V1176 HydrophobicContact CB-CG1 3.86Å; E1168-V1176 HydrophobicContact CB-CG2 4.02Å; E1168-V1176 HydrophobicContact CG-CG1 4.05Å; E1168-V1176 HydrophobicContact CG-CG2 4.3Å; V1176-T1179 WeakPolarHBondContact CG1-OG1 3.39Å
1177	I	98.6	Very high	98.2	Very high	43 Å²	43	42.6 Å²	42.6	22%	0.221	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-28.2	179.3	-164.8	160.6	0	0	0	113	H1149 V1169 A1171 S1175 G1195 E1196	H1149-I1177 HydrophobicContact CB-CG2 3.85Å; V1169-I1177 HydrophobicContact CG1-CG2 4.47Å; V1169-I1177 WeakPolarHBondContact O-CG2 3.48Å; V1169-I1177 PolarHBondContact O-N 2.84Å; A1171-I1177 HydrophobicContact CB-CB 4.18Å; A1171-I1177 HydrophobicContact CB-CD1 4.33Å; S1175-I1177 PolarHBondContact O-N 2.83Å; I1177-G1195 WeakPolarHBondContact O-CA 3.31Å; I1177-E1196 HydrophobicContact CG1-CB 4.25Å; I1177-E1196 PolarHBondContact O-N 3.49Å
1178	F	98.6	Very high	98.2	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.018	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	140.5	178.2	-176.7	-107.9	0	0	0	111.2	F1154 V1169 L1180 A1194 E1196 A1197 W1200	F1154-F1178 HydrophobicContact CE2-CD1 4.45Å; F1154-F1178 AromaticContact CE2-CE1 3.93Å; F1154-F1178 HydrophobicContact CE2-CE1 3.93Å; F1154-F1178 AromaticContact CZ-CD1 3.77Å; F1154-F1178 HydrophobicContact CZ-CD1 3.77Å; F1154-F1178 AromaticContact CZ-CE1 3.62Å; F1154-F1178 HydrophobicContact CZ-CE1 3.62Å; V1169-F1178 HydrophobicContact CB-CB 4.32Å; V1169-F1178 HydrophobicContact CG2-CD1 4.34Å; V1169-F1178 PolarHBondContact N-O 3.23Å; V1169-F1178 PolarHBondContact O-N 3.4Å; F1178-L1180 HydrophobicContact CE1-CB 3.84Å; F1178-L1180 HydrophobicContact CE1-CD1 4.12Å; F1178-L1180 HydrophobicContact CE1-CG 4.48Å; F1178-L1180 HydrophobicContact CZ-CD1 4.07Å; F1178-A1194 WeakPolarHBondContact CA-O 3.37Å; F1178-A1194 WeakPolarHBondContact CD2-O 3.48Å; F1178-E1196 WeakPolarHBondContact CB-O 3.47Å; F1178-A1197 HydrophobicContact CB-CB 4.09Å; F1178-A1197 HydrophobicContact CD1-CB 3.68Å; F1178-A1197 HydrophobicContact CD2-CB 3.59Å; F1178-A1197 HydrophobicContact CE1-CB 3.88Å; F1178-A1197 HydrophobicContact CE2-CB 3.82Å; F1178-A1197 HydrophobicContact CG-CB 3.52Å; F1178-A1197 HydrophobicContact CZ-CB 3.96Å; F1178-W1200 HydrophobicContact CZ-CZ2 4.4Å; F1178-W1200 AromaticContact CZ-NE1 3.94Å
1179	T	98.7	Very high	98.2	Very high	33 Å²	33	42 Å²	42	20%	0.202	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	123.6	174.7	-53.1	0	0	0	0	109.3	V1166 C1167 E1168 V1176 K1181 G1193 A1194	V1166-T1179 HydrophobicContact CG1-CG2 3.84Å; C1167-T1179 CarbonylContact O-C 3.45Å; C1167-T1179 WeakPolarHBondContact O-CA 3.37Å; E1168-T1179 HydrophobicContact CG-CG2 4.34Å; V1176-T1179 WeakPolarHBondContact CG1-OG1 3.39Å; T1179-K1181 HydrophobicContact CG2-CG 4.19Å; T1179-G1193 WeakPolarHBondContact O-CA 3.41Å; T1179-A1194 PolarHBondContact N-O 3.31Å; T1179-A1194 PolarHBondContact O-N 2.95Å
1180	L	98.6	Very high	98.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	135.5	170.2	-164.9	68.8	0	0	0	109.1	L1134 F1154 C1167 F1178 V1191 T1192 W1200	L1134-L1180 HydrophobicContact CD1-CD2 4.44Å; L1134-L1180 HydrophobicContact CD2-CB 3.89Å; L1134-L1180 HydrophobicContact CD2-CD2 3.93Å; L1134-L1180 HydrophobicContact CD2-CG 3.86Å; L1134-L1180 WeakPolarHBondContact CD2-O 3.37Å; F1154-L1180 HydrophobicContact CB-CD2 3.97Å; F1154-L1180 HydrophobicContact CD1-CB 4.48Å; F1154-L1180 HydrophobicContact CD1-CD2 3.83Å; F1154-L1180 HydrophobicContact CD2-CD2 3.55Å; F1154-L1180 HydrophobicContact CE1-CB 4.17Å; F1154-L1180 HydrophobicContact CE1-CD2 4.18Å; F1154-L1180 HydrophobicContact CE2-CD2 3.91Å; F1154-L1180 HydrophobicContact CG-CD2 3.49Å; F1154-L1180 VanDerWaalsContact CG-CD2 3.49Å; F1154-L1180 HydrophobicContact CZ-CB 4.3Å; F1154-L1180 HydrophobicContact CZ-CD2 4.22Å; C1167-L1180 PolarHBondContact N-O 3.36Å; C1167-L1180 PolarHBondContact O-N 3.1Å; F1178-L1180 HydrophobicContact CE1-CB 3.84Å; F1178-L1180 HydrophobicContact CE1-CD1 4.12Å; F1178-L1180 HydrophobicContact CE1-CG 4.48Å; F1178-L1180 HydrophobicContact CZ-CD1 4.07Å; L1180-V1191 HydrophobicContact CD1-CG1 3.75Å; L1180-V1191 HydrophobicContact CD2-CG1 4.41Å; L1180-V1191 HydrophobicContact CG-CG1 4.11Å; L1180-T1192 WeakPolarHBondContact CA-O 3.39Å; L1180-W1200 HydrophobicContact CD1-CH2 3.77Å; L1180-W1200 HydrophobicContact CD1-CZ2 4.07Å; L1180-W1200 HydrophobicContact CD1-CZ3 4.31Å; L1180-W1200 HydrophobicContact CD2-CH2 4.41Å; L1180-W1200 HydrophobicContact CD2-CZ3 4.14Å
1181	K	98.7	Very high	98.1	Very high	74 Å²	74	44.9 Å²	44.9	32%	0.322	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	137.1	179	-62.4	175.5	154.3	-124.9	0	109.9	E1164 A1165 V1166 T1179 V1191 T1192	E1164-K1181 VanDerWaalsContact OE1-CD 3.31Å; E1164-K1181 WeakPolarHBondContact OE1-CD 3.08Å; E1164-K1181 WeakPolarHBondContact OE1-CE 3.47Å; E1164-K1181 IonicContact OE1-NZ 2.78Å; E1164-K1181 PolarHBondContact OE1-NZ 3.27Å; E1164-K1181 IonicContact OE2-NZ 3.98Å; A1165-K1181 WeakPolarHBondContact O-CA 3.46Å; V1166-K1181 HydrophobicContact CG1-CG 4.29Å; V1166-K1181 HydrophobicContact CG2-CG 4.22Å; T1179-K1181 HydrophobicContact CG2-CG 4.19Å; K1181-V1191 CarbonylContact O-C 3.49Å; K1181-V1191 VanDerWaalsContact O-CA 3.22Å; K1181-V1191 WeakPolarHBondContact O-CA 3.35Å; K1181-T1192 PolarHBondContact N-O 3.42Å; K1181-T1192 PolarHBondContact O-N 3.01Å
1182	A	98.5	Very high	98.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	114.6	171	0	0	0	0	0	109.2	L1156 L1159 E1164 A1165 I1189 T1190 V1191	L1156-A1182 HydrophobicContact CD1-CB 3.87Å; L1156-A1182 HydrophobicContact CD2-CB 4.2Å; L1159-A1182 HydrophobicContact CD2-CB 3.9Å; E1164-A1182 WeakPolarHBondContact CA-O 3.24Å; A1165-A1182 PolarHBondContact N-O 3.41Å; A1165-A1182 PolarHBondContact O-N 3.38Å; A1182-I1189 HydrophobicContact CB-CG2 4.09Å; A1182-T1190 WeakPolarHBondContact CA-O 3.47Å; A1182-V1191 HydrophobicContact CB-CG2 4.32Å
1183	V	98.6	Very high	98.2	Very high	50 Å²	50	43.4 Å²	43.4	30%	0.303	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	126.3	-179.2	-178	0	0	0	0	108.7	E1164 I1189 T1190	E1164-V1183 HydrophobicContact CB-CG2 4.11Å; E1164-V1183 HydrophobicContact CG-CG2 3.81Å; V1183-I1189 CarbonylContact O-C 3.5Å; V1183-I1189 WeakPolarHBondContact O-CA 3.28Å; V1183-T1190 PolarHBondContact N-O 3.42Å; V1183-T1190 PolarHBondContact O-N 2.91Å
1184	R	98.5	Very high	98.2	Very high	54 Å²	54	41.1 Å²	41.1	20%	0.204	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	129.9	176.8	-175.4	175.8	169.4	-177.8	2.2	111.5	L1159 Q1160 G1162 H1163 G1186 T1188 I1189	L1159-R1184 HydrophobicContact CD2-CB 3.76Å; L1159-R1184 HydrophobicContact CG-CB 3.85Å; L1159-R1184 WeakPolarHBondContact O-CD 3.42Å; L1159-R1184 PolarHBondContact O-NH1 3.43Å; Q1160-R1184 WeakPolarHBondContact O-CB 3.43Å; G1162-R1184 PolarHBondContact N-O 2.91Å; H1163-R1184 PolarHBondContact O-N 2.77Å; R1184-G1186 PolarHBondContact NE-O 3.33Å; R1184-T1188 WeakPolarHBondContact CA-O 3.32Å; R1184-I1189 HydrophobicContact CB-CG1 4.15Å; R1184-I1189 HydrophobicContact CG-CG1 4.06Å
1185	T	98.2	Very high	98.3	Very high	102 Å²	102	43.5 Å²	43.5	63%	0.626	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136	115.8	170.2	-52.8	0	0	0	0	109.1	D1161 N1187 T1188	D1161-T1185 WeakPolarHBondContact OD1-CA 3.44Å; T1185-N1187 PolarHBondContact O-N 3.4Å; T1185-T1188 PolarHBondContact N-O 3.37Å; T1185-T1188 PolarHBondContact O-N 2.97Å; T1185-T1188 VanDerWaalsContact O-N 3.12Å
1186	G	97.4	Very high	98.2	Very high	30 Å²	30	45.1 Å²	45.1	31%	0.309	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	-121.1	-164.9	0	0	0	0	0	111.6	D1161 R1184	D1161-G1186 PolarHBondContact OD1-N 2.9Å; R1184-G1186 PolarHBondContact NE-O 3.33Å
1187	N	97.5	Very high	98.1	Very high	95 Å²	95	43.3 Å²	43.3	51%	0.508	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	5.7	176.5	-71.6	-6.3	0	0	0	113.3	T1185 T1237 L1238	T1185-N1187 PolarHBondContact O-N 3.4Å; N1187-T1237 WeakPolarHBondContact O-CA 3.46Å; N1187-L1238 HydrophobicContact CB-CB 4.39Å; N1187-L1238 PolarHBondContact O-N 3.06Å
1188	T	98.2	Very high	97.9	Very high	53 Å²	53	45.5 Å²	45.5	33%	0.325	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	123.2	-179.8	-57.3	0	0	0	0	109.7	R1184 T1185 T1235 I1236	R1184-T1188 WeakPolarHBondContact CA-O 3.32Å; T1185-T1188 PolarHBondContact N-O 3.37Å; T1185-T1188 PolarHBondContact O-N 2.97Å; T1185-T1188 VanDerWaalsContact O-N 3.12Å; T1188-T1235 HydrophobicContact CG2-CG2 3.49Å; T1188-T1235 VanDerWaalsContact CG2-CG2 3.49Å; T1188-I1236 WeakPolarHBondContact CA-O 3.3Å
1189	I	98.5	Very high	97.8	Very high	6 Å²	6	51.4 Å²	51.4	3%	0.031	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	117.2	169.5	-57	176.2	0	0	0	107.9	L1156 L1159 A1182 V1183 R1184 V1191 I1236 L1238	L1156-I1189 HydrophobicContact CD2-CD1 4.13Å; L1156-I1189 HydrophobicContact CD2-CG2 4.45Å; L1159-I1189 HydrophobicContact CD2-CD1 4.29Å; L1159-I1189 HydrophobicContact CD2-CG1 4.31Å; L1159-I1189 HydrophobicContact CD2-CG2 3.91Å; A1182-I1189 HydrophobicContact CB-CG2 4.09Å; V1183-I1189 CarbonylContact O-C 3.5Å; V1183-I1189 WeakPolarHBondContact O-CA 3.28Å; R1184-I1189 HydrophobicContact CB-CG1 4.15Å; R1184-I1189 HydrophobicContact CG-CG1 4.06Å; I1189-V1191 HydrophobicContact CG2-CG2 4.03Å; I1189-I1236 HydrophobicContact CB-CB 4.35Å; I1189-I1236 PolarHBondContact N-O 3.27Å; I1189-I1236 PolarHBondContact O-N 2.86Å; I1189-L1238 HydrophobicContact CD1-CD1 4.08Å; I1189-L1238 HydrophobicContact CD1-CD2 3.79Å; I1189-L1238 HydrophobicContact CD1-CG 4.06Å; I1189-L1238 HydrophobicContact CG1-CD1 4.39Å; I1189-L1238 HydrophobicContact CG1-CG 4.36Å
1190	T	98.3	Very high	97.8	Very high	61 Å²	61	50.7 Å²	50.7	37%	0.374	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	120.5	173	-52.7	0	0	0	0	108.7	A1182 V1183 T1192	A1182-T1190 WeakPolarHBondContact CA-O 3.47Å; V1183-T1190 PolarHBondContact N-O 3.42Å; V1183-T1190 PolarHBondContact O-N 2.91Å; T1190-T1192 HydrophobicContact CG2-CG2 4.3Å
1191	V	98.5	Very high	97.8	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.006	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	127.2	179.2	-176.6	0	0	0	0	109.1	L1180 K1181 A1182 I1189 L1202 A1233 L1234 I1236	L1180-V1191 HydrophobicContact CD1-CG1 3.75Å; L1180-V1191 HydrophobicContact CD2-CG1 4.41Å; L1180-V1191 HydrophobicContact CG-CG1 4.11Å; K1181-V1191 CarbonylContact O-C 3.49Å; K1181-V1191 VanDerWaalsContact O-CA 3.22Å; K1181-V1191 WeakPolarHBondContact O-CA 3.35Å; A1182-V1191 HydrophobicContact CB-CG2 4.32Å; I1189-V1191 HydrophobicContact CG2-CG2 4.03Å; V1191-L1202 HydrophobicContact CG1-CD2 4.21Å; V1191-L1202 HydrophobicContact CG2-CD2 3.84Å; V1191-A1233 CarbonylContact O-C 3.59Å; V1191-A1233 VanDerWaalsContact O-CA 3.29Å; V1191-A1233 WeakPolarHBondContact O-CA 3.13Å; V1191-L1234 HydrophobicContact CB-CB 4.28Å; V1191-L1234 HydrophobicContact CB-CD1 3.91Å; V1191-L1234 HydrophobicContact CG1-CD1 3.78Å; V1191-L1234 PolarHBondContact N-O 2.82Å; V1191-L1234 PolarHBondContact O-N 2.92Å; V1191-I1236 HydrophobicContact CG2-CD1 4.15Å
1192	T	98.2	Very high	97.8	Very high	58 Å²	58	49 Å²	49	36%	0.356	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	133.1	179	54.7	0	0	0	0	111.1	L1180 K1181 T1190	L1180-T1192 WeakPolarHBondContact CA-O 3.39Å; K1181-T1192 PolarHBondContact N-O 3.42Å; K1181-T1192 PolarHBondContact O-N 3.01Å; T1190-T1192 HydrophobicContact CG2-CG2 4.3Å
1193	G	97.7	Very high	97.8	Very high	10 Å²	10	49.2 Å²	49.2	10%	0.103	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	131.7	178.6	0	0	0	0	0	112.1	T1179 N1232	T1179-G1193 WeakPolarHBondContact O-CA 3.41Å; G1193-N1232 PolarHBondContact N-O 3.32Å; G1193-N1232 PolarHBondContact O-ND2 3.49Å
1194	A	98	Very high	97.8	Very high	62 Å²	62	47 Å²	47	51%	0.512	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	139.7	176.7	0	0	0	0	0	110.8	F1178 T1179	F1178-A1194 WeakPolarHBondContact CA-O 3.37Å; F1178-A1194 WeakPolarHBondContact CD2-O 3.48Å; T1179-A1194 PolarHBondContact N-O 3.31Å; T1179-A1194 PolarHBondContact O-N 2.95Å
1195	G	97.2	Very high	97.8	Very high	59 Å²	59	44.6 Å²	44.6	61%	0.608	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	103	-158.3	-174.5	0	0	0	0	0	113.1	I1177	I1177-G1195 WeakPolarHBondContact O-CA 3.31Å
1196	E	96.6	Very high	97.8	Very high	93 Å²	93	42.7 Å²	42.7	44%	0.435	26%	0.263	S	S	.	.			trans	-105.6	114.1	-178.3	-175.6	177	-177.1	0	0	111.9	H1149 I1177 F1178 K1198	H1149-E1196 PolarHBondContact CD2-O 3.33Å; I1177-E1196 HydrophobicContact CG1-CB 4.25Å; I1177-E1196 PolarHBondContact O-N 3.49Å; F1178-E1196 WeakPolarHBondContact CB-O 3.47Å; E1196-K1198 IonicContact OE1-NZ 2.84Å; E1196-K1198 PolarHBondContact OE1-NZ 3.06Å
1197	A	96.6	Very high	97.8	Very high	22 Å²	22	43.2 Å²	43.2	18%	0.182	26%	0.26	C	S	.	.			trans	-146.7	147.6	165.8	0	0	0	0	0	110.2	H1149 F1178	H1149-A1197 HydrophobicContact CB-CB 4.44Å; H1149-A1197 CarbonylContact O-C 3.5Å; H1149-A1197 VanDerWaalsContact O-CA 3.23Å; H1149-A1197 WeakPolarHBondContact O-CA 3.32Å; H1149-A1197 WeakPolarHBondContact O-CB 3.37Å; F1178-A1197 HydrophobicContact CB-CB 4.09Å; F1178-A1197 HydrophobicContact CD1-CB 3.68Å; F1178-A1197 HydrophobicContact CD2-CB 3.59Å; F1178-A1197 HydrophobicContact CE1-CB 3.88Å; F1178-A1197 HydrophobicContact CE2-CB 3.82Å; F1178-A1197 HydrophobicContact CG-CB 3.52Å; F1178-A1197 HydrophobicContact CZ-CB 3.96Å
1198	K	95.6	Very high	97.7	Very high	89 Å²	89	44.2 Å²	44.2	39%	0.387	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-128.1	145.3	-178.3	-57.9	-175.4	-168.3	109.9	0	111.3	H1149 E1150 G1151 E1196 W1200	H1149-K1198 PolarHBondContact O-N 3.43Å; E1150-K1198 WeakPolarHBondContact CA-O 3.41Å; E1150-K1198 HydrophobicContact CG-CB 4.17Å; E1150-K1198 HydrophobicContact CG-CG 4.47Å; E1150-K1198 IonicContact OE1-NZ 2.82Å; E1150-K1198 PolarHBondContact OE1-NZ 2.84Å; G1151-K1198 PolarHBondContact N-O 2.92Å; E1196-K1198 IonicContact OE1-NZ 2.84Å; E1196-K1198 PolarHBondContact OE1-NZ 3.06Å; K1198-W1200 PolarHBondContact O-N 3.45Å
1199	N	96.2	Very high	97.6	Very high	128 Å²	128	49.5 Å²	49.5	68%	0.684	29%	0.287	S	S	*	.	S	Bend	trans	53.9	24.9	172.1	-66.1	-42.3	0	0	0	116
1200	W	97.7	Very high	97.5	Very high	17 Å²	17	49.7 Å²	49.7	6%	0.064	29%	0.289	C	S	.	.			trans	-76	161.9	-179	60.1	-96.3	0	0	0	112.6	T1152 F1154 F1178 L1180 K1198 L1202 P1229 L1234	T1152-W1200 CarbonylContact O-C 3.57Å; T1152-W1200 WeakPolarHBondContact O-CA 3.37Å; T1152-W1200 WeakPolarHBondContact O-CB 3.42Å; F1154-W1200 HydrophobicContact CD2-CB 4.07Å; F1154-W1200 HydrophobicContact CD2-CD2 4.14Å; F1154-W1200 AromaticContact CD2-CE3 3.74Å; F1154-W1200 HydrophobicContact CD2-CE3 3.74Å; F1154-W1200 HydrophobicContact CD2-CG 4.33Å; F1154-W1200 HydrophobicContact CD2-CZ3 4.46Å; F1154-W1200 HydrophobicContact CE2-CB 3.71Å; F1154-W1200 AromaticContact CE2-CD2 3.94Å; F1154-W1200 HydrophobicContact CE2-CD2 3.94Å; F1154-W1200 HydrophobicContact CE2-CE3 4.02Å; F1154-W1200 AromaticContact CE2-CG 3.85Å; F1154-W1200 HydrophobicContact CE2-CG 3.85Å; F1178-W1200 HydrophobicContact CZ-CZ2 4.4Å; F1178-W1200 AromaticContact CZ-NE1 3.94Å; L1180-W1200 HydrophobicContact CD1-CH2 3.77Å; L1180-W1200 HydrophobicContact CD1-CZ2 4.07Å; L1180-W1200 HydrophobicContact CD1-CZ3 4.31Å; L1180-W1200 HydrophobicContact CD2-CH2 4.41Å; L1180-W1200 HydrophobicContact CD2-CZ3 4.14Å; K1198-W1200 PolarHBondContact O-N 3.45Å; W1200-L1202 HydrophobicContact CZ3-CB 4.24Å; W1200-P1229 HydrophobicContact CD2-CG 3.72Å; W1200-P1229 HydrophobicContact CE3-CG 3.75Å; W1200-P1229 HydrophobicContact CH2-CB 3.67Å; W1200-P1229 HydrophobicContact CH2-CG 3.62Å; W1200-P1229 HydrophobicContact CZ2-CB 3.74Å; W1200-P1229 HydrophobicContact CZ2-CG 3.55Å; W1200-P1229 HydrophobicContact CZ3-CB 4.13Å; W1200-P1229 HydrophobicContact CZ3-CG 3.69Å; W1200-P1229 VanDerWaalsContact O-CD 3.3Å; W1200-P1229 WeakPolarHBondContact O-CD 3.37Å; W1200-L1234 HydrophobicContact CH2-CD1 3.59Å; W1200-L1234 HydrophobicContact CZ2-CD1 4.42Å; W1200-L1234 HydrophobicContact CZ3-CD1 4.41Å
1201	T	98.3	Very high	97.5	Very high	39 Å²	39	53.2 Å²	53.2	24%	0.239	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	156.5	175.2	56.8	0	0	0	0	110.6	T1152 F1154 V1226	T1152-T1201 PolarHBondContact O-N 3.01Å; F1154-T1201 WeakPolarHBondContact CB-O 3.29Å; F1154-T1201 PolarHBondContact N-O 3.17Å; T1201-V1226 HydrophobicContact CG2-CG1 4.22Å
1202	L	98.5	Very high	97.3	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	112.6	175.8	175.7	65	0	0	0	110.4	L1134 F1154 L1156 V1191 W1200 L1204 V1227 I1236	L1134-L1202 HydrophobicContact CD1-CD1 3.57Å; F1154-L1202 HydrophobicContact CB-CD1 3.77Å; F1154-L1202 CarbonylContact O-C 3.39Å; F1154-L1202 WeakPolarHBondContact O-CA 3.47Å; L1156-L1202 HydrophobicContact CB-CD1 4.16Å; V1191-L1202 HydrophobicContact CG1-CD2 4.21Å; V1191-L1202 HydrophobicContact CG2-CD2 3.84Å; W1200-L1202 HydrophobicContact CZ3-CB 4.24Å; L1202-L1204 HydrophobicContact CD2-CD2 4.26Å; L1202-L1204 HydrophobicContact CG-CD2 4.3Å; L1202-V1227 HydrophobicContact CB-CB 4.43Å; L1202-V1227 PolarHBondContact N-O 3.24Å; L1202-V1227 PolarHBondContact O-N 3.43Å; L1202-I1236 HydrophobicContact CD2-CD1 4.21Å
1203	C	98.6	Very high	97.2	Very high	4 Å²	4	53.8 Å²	53.8	3%	0.027	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	123.8	171.8	179.2	0	0	0	0	110.3	F1154 H1155 L1156 R1205 L1225 V1226	F1154-C1203 PolarHBondContact O-N 3.27Å; H1155-C1203 WeakPolarHBondContact CA-O 3.43Å; H1155-C1203 WeakPolarHBondContact ND1-CB 3.48Å; L1156-C1203 PolarHBondContact N-O 3.19Å; C1203-R1205 PolarHBondContact O-N 3.13Å; C1203-L1225 CarbonylContact C-O 3.52Å; C1203-L1225 WeakPolarHBondContact CA-O 3.44Å; C1203-V1226 HydrophobicContact CB-CG2 4.29Å
1204	L	98.5	Very high	97.2	Very high	3 Å²	3	58.8 Å²	58.8	2%	0.016	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	95.4	170.5	-54.5	178.8	0	0	0	108.3	L1156 L1202 N1206 V1207 V1210 G1224 L1225 V1227 I1236	L1156-L1204 HydrophobicContact CB-CD2 4.32Å; L1156-L1204 HydrophobicContact CD2-CD2 3.95Å; L1202-L1204 HydrophobicContact CD2-CD2 4.26Å; L1202-L1204 HydrophobicContact CG-CD2 4.3Å; L1204-N1206 PolarHBondContact O-N 2.85Å; L1204-V1207 HydrophobicContact CB-CB 3.74Å; L1204-V1207 HydrophobicContact CB-CG1 4.4Å; L1204-V1207 HydrophobicContact CB-CG2 4.03Å; L1204-V1207 HydrophobicContact CD1-CG1 4.35Å; L1204-V1207 PolarHBondContact O-N 3.42Å; L1204-V1207 VanDerWaalsContact O-N 3.15Å; L1204-V1210 HydrophobicContact CD1-CG1 3.81Å; L1204-G1224 WeakPolarHBondContact O-CA 3.28Å; L1204-L1225 HydrophobicContact CD1-CD2 4.46Å; L1204-L1225 PolarHBondContact N-O 2.91Å; L1204-V1227 HydrophobicContact CD1-CG2 4.33Å; L1204-V1227 HydrophobicContact CG-CG2 4.47Å; L1204-I1236 HydrophobicContact CD1-CD1 4.12Å; L1204-I1236 HydrophobicContact CD1-CG2 4.01Å; L1204-I1236 HydrophobicContact CD2-CD1 3.95Å
1205	R	98.5	Very high	97.1	Very high	4 Å²	4	59.9 Å²	59.9	2%	0.015	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	134.2	-173.3	-65.4	-77.8	-82.5	162.4	-5.4	110.2	H1103 L1104 N1107 H1155 L1156 F1157 C1203 V1207 Q1223	H1103-R1205 PolarHBondContact O-NH2 2.92Å; L1104-R1205 PolarHBondContact O-NH2 2.92Å; N1107-R1205 PolarHBondContact OD1-NE 3.33Å; N1107-R1205 PolarHBondContact OD1-NH1 3.15Å; N1107-R1205 PolarHBondContact OD1-NH2 3.31Å; H1155-R1205 HydrophobicContact CB-CG 4.15Å; L1156-R1205 VanDerWaalsContact O-CB 3.3Å; L1156-R1205 WeakPolarHBondContact O-CB 3.49Å; L1156-R1205 WeakPolarHBondContact O-CG 3.28Å; L1156-R1205 PolarHBondContact O-N 2.76Å; F1157-R1205 HydrophobicContact CD1-CB 3.93Å; F1157-R1205 HydrophobicContact CD1-CG 3.77Å; F1157-R1205 HydrophobicContact CD2-CG 4.32Å; F1157-R1205 HydrophobicContact CE1-CB 4.17Å; F1157-R1205 HydrophobicContact CE1-CG 3.63Å; F1157-R1205 HydrophobicContact CE2-CG 4.15Å; F1157-R1205 HydrophobicContact CG-CB 4.42Å; F1157-R1205 HydrophobicContact CG-CG 4.15Å; F1157-R1205 HydrophobicContact CZ-CG 3.82Å; C1203-R1205 PolarHBondContact O-N 3.13Å; R1205-V1207 PolarHBondContact O-N 2.67Å; R1205-Q1223 WeakPolarHBondContact CA-O 3.24Å
1206	N	98.1	Very high	97	Very high	62 Å²	62	58.1 Å²	58.1	33%	0.332	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	4.5	-177.5	-68	-35.4	0	0	0	116.3	N1107 E1109 L1204 Q1223	N1107-N1206 PolarHBondContact ND2-OD1 3.21Å; N1107-N1206 PolarHBondContact O-ND2 3.07Å; N1107-N1206 VanDerWaalsContact O-ND2 3.09Å; N1107-N1206 PolarHBondContact O-OD1 2.89Å; N1107-N1206 PolarHBondContact OD1-OD1 3.13Å; E1109-N1206 VanDerWaalsContact CG-ND2 3.31Å; E1109-N1206 WeakPolarHBondContact CG-ND2 3.46Å; E1109-N1206 PolarHBondContact OE1-ND2 2.82Å; L1204-N1206 PolarHBondContact O-N 2.85Å; N1206-Q1223 PolarHBondContact N-O 2.99Å; N1206-Q1223 VanDerWaalsContact N-O 3.16Å
1207	V	97.9	Very high	96.9	Very high	41 Å²	41	56.3 Å²	56.3	25%	0.248	31%	0.309	C	S	.	.			trans	-94.2	109.6	173.2	-179.2	0	0	0	0	108.7	L1204 R1205 K1209 V1210 L1225	L1204-V1207 HydrophobicContact CB-CB 3.74Å; L1204-V1207 HydrophobicContact CB-CG1 4.4Å; L1204-V1207 HydrophobicContact CB-CG2 4.03Å; L1204-V1207 HydrophobicContact CD1-CG1 4.35Å; L1204-V1207 PolarHBondContact O-N 3.42Å; L1204-V1207 VanDerWaalsContact O-N 3.15Å; R1205-V1207 PolarHBondContact O-N 2.67Å; V1207-K1209 VanDerWaalsContact CG1-O 3.31Å; V1207-K1209 WeakPolarHBondContact CG1-O 3.42Å; V1207-V1210 HydrophobicContact CG1-CG1 3.94Å; V1207-L1225 WeakPolarHBondContact O-CB 3.23Å; V1207-L1225 PolarHBondContact O-N 3.17Å
1208	V	96.3	Very high	96.9	Very high	116 Å²	116	59.9 Å²	59.9	70%	0.703	32%	0.322	S	S	*	.			trans	-87.4	-19.4	-178.3	-62.8	0	0	0	0	113.5
1209	K	95.5	Very high	96.9	Very high	164 Å²	164	58.4 Å²	58.4	71%	0.713	33%	0.326	S	S	*	.			trans	-153.7	146.6	-176.4	-169.1	173.3	-178.8	-179.8	0	110	V1207	V1207-K1209 VanDerWaalsContact CG1-O 3.31Å; V1207-K1209 WeakPolarHBondContact CG1-O 3.42Å
1210	V	96.9	Very high	96.9	Very high	11 Å²	11	60.4 Å²	60.4	7%	0.067	33%	0.332	C	S	.	.			trans	-123.9	149.2	172.2	-64.2	0	0	0	0	109.7	L1204 V1207 L1225 I1236	L1204-V1210 HydrophobicContact CD1-CG1 3.81Å; V1207-V1210 HydrophobicContact CG1-CG1 3.94Å; V1210-L1225 HydrophobicContact CB-CD2 4.27Å; V1210-L1225 HydrophobicContact CG1-CD2 3.74Å; V1210-L1225 HydrophobicContact CG2-CD2 3.6Å; V1210-I1236 HydrophobicContact CB-CG2 4.15Å; V1210-I1236 HydrophobicContact CG1-CG2 3.69Å
1211	N	97	Very high	96.9	Very high	135 Å²	135	61.9 Å²	61.9	72%	0.722	35%	0.345	S	S	*	.	S	Bend	trans	-73.7	-31.9	177.4	-170	54.9	0	0	0	112.9	T1237 L1238	N1211-T1237 HydrophobicContact CB-CG2 4.25Å; N1211-T1237 PolarHBondContact N-O 2.83Å; N1211-L1238 PolarHBondContact N-OXT 3.35Å
1212	G	94.9	Very high	96.7	Very high	24 Å²	24	69.6 Å²	69.6	25%	0.247	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	152	-179	0	0	0	0	0	113.2	T1237	G1212-T1237 PolarHBondContact N-O 3.1Å; G1212-T1237 VanDerWaalsContact N-O 3.12Å; G1212-T1237 PolarHBondContact O-N 3.02Å
1213	L	97.2	Very high	96.7	Very high	46 Å²	46	72.4 Å²	72.4	24%	0.241	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	125.4	178.3	-169.4	92.2	0	0	0	109.3	G1216 Q1218 V1227 I1236	L1213-G1216 VanDerWaalsContact CD2-O 3.24Å; L1213-G1216 WeakPolarHBondContact CD2-O 3.44Å; L1213-Q1218 HydrophobicContact CD2-CB 4.28Å; L1213-V1227 HydrophobicContact CD1-CG1 3.78Å; L1213-V1227 HydrophobicContact CD1-CG2 3.87Å; L1213-V1227 HydrophobicContact CD2-CG1 4.43Å; L1213-I1236 HydrophobicContact CD1-CG1 3.86Å
1214	Q	96.6	Very high	96.6	Very high	116 Å²	116	72.5 Å²	72.5	54%	0.542	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	140.9	173.5	-165.5	-175.2	-22.3	0	0	110	G1216 T1235	Q1214-G1216 VanDerWaalsContact C-N 3.29Å; Q1214-G1216 PolarHBondContact O-N 3.42Å; Q1214-T1235 PolarHBondContact N-O 3.12Å; Q1214-T1235 PolarHBondContact O-N 3.35Å
1215	D	95.3	Very high	96.6	Very high	85 Å²	85	72.6 Å²	72.6	46%	0.455	39%	0.393	S	S	.	.	S	Bend	trans	60.6	31	176.5	-56.5	-44.9	0	0	0	115.1	Q1230 A1233	D1215-Q1230 WeakPolarHBondContact O-CB 3.31Å; D1215-Q1230 PolarHBondContact O-N 3.03Å; D1215-A1233 WeakPolarHBondContact CB-O 3.44Å
1216	G	94.9	Very high	96.6	Very high	21 Å²	21	74.1 Å²	74.1	22%	0.216	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	179.5	174.8	0	0	0	0	0	113.4	L1213 Q1214 K1228	L1213-G1216 VanDerWaalsContact CD2-O 3.24Å; L1213-G1216 WeakPolarHBondContact CD2-O 3.44Å; Q1214-G1216 VanDerWaalsContact C-N 3.29Å; Q1214-G1216 PolarHBondContact O-N 3.42Å; G1216-K1228 CarbonylContact C-O 3.44Å; G1216-K1228 WeakPolarHBondContact CA-O 3.09Å
1217	S	95.7	Very high	96.6	Very high	55 Å²	55	71.2 Å²	71.2	39%	0.385	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	156.3	165.8	54.2	0	0	0	0	109.6	V1227 K1228	S1217-V1227 CarbonylContact O-C 3.52Å; S1217-V1227 VanDerWaalsContact O-CA 3.29Å; S1217-V1227 WeakPolarHBondContact O-CA 3.29Å; S1217-K1228 PolarHBondContact N-O 2.83Å; S1217-K1228 PolarHBondContact O-N 3.07Å
1218	Q	95.6	Very high	96.6	Very high	98 Å²	98	73.7 Å²	73.7	46%	0.458	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	146.9	-177.5	65.2	-176.7	-66.5	0	0	111.6	L1213 L1225 V1226	L1213-Q1218 HydrophobicContact CD2-CB 4.28Å; Q1218-L1225 HydrophobicContact CB-CD1 4.43Å; Q1218-L1225 HydrophobicContact CB-CD2 3.98Å; Q1218-L1225 HydrophobicContact CB-CG 4.16Å; Q1218-V1226 CarbonylContact C-O 3.6Å; Q1218-V1226 WeakPolarHBondContact CA-O 3.42Å
1219	A	96.6	Very high	96.6	Very high	58 Å²	58	69.4 Å²	69.4	48%	0.479	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	146.8	171.2	0	0	0	0	0	110	V1226	A1219-V1226 PolarHBondContact N-O 3.17Å; A1219-V1226 PolarHBondContact O-N 3.01Å
1220	E	96.3	Very high	96.4	Very high	170 Å²	170	69.1 Å²	69.1	79%	0.794	37%	0.37	S	S	*	.			trans	-73.6	147.3	174.5	-67.6	-180	176.5	0	0	111.1	L1225	E1220-L1225 HydrophobicContact CG-CD1 4.36Å
1221	S	97.1	Very high	96	Very high	48 Å²	48	70.2 Å²	70.2	34%	0.336	38%	0.383	S	S	.	.			trans	-144.2	161.4	167	86.2	0	0	0	0	109.8	Q1223 G1224	S1221-Q1223 PolarHBondContact O-N 2.88Å; S1221-Q1223 VanDerWaalsContact O-N 3.1Å; S1221-Q1223 PolarHBondContact OG-N 2.89Å; S1221-G1224 WeakPolarHBondContact CB-O 3.43Å; S1221-G1224 PolarHBondContact N-O 3.01Å; S1221-G1224 PolarHBondContact O-N 3.43Å; S1221-G1224 PolarHBondContact OG-N 2.84Å; S1221-G1224 PolarHBondContact OG-O 3.34Å
1222	E	95.5	Very high	95.6	Very high	201 Å²	201	68.6 Å²	68.6	94%	0.939	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-28.6	176.5	-172.3	178.6	-173.3	0	0	112.8
1223	Q	97.4	Very high	95.6	Very high	59 Å²	59	69.8 Å²	69.8	28%	0.276	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-11.2	-177.2	-69	-163.6	-32.3	0	0	114	N1107 H1155 R1205 N1206 S1221	N1107-Q1223 PolarHBondContact ND2-O 3.46Å; H1155-Q1223 PolarHBondContact CE1-OE1 3.24Å; R1205-Q1223 WeakPolarHBondContact CA-O 3.24Å; N1206-Q1223 PolarHBondContact N-O 2.99Å; N1206-Q1223 VanDerWaalsContact N-O 3.16Å; S1221-Q1223 PolarHBondContact O-N 2.88Å; S1221-Q1223 VanDerWaalsContact O-N 3.1Å; S1221-Q1223 PolarHBondContact OG-N 2.89Å
1224	G	97.6	Very high	95.4	Very high	6 Å²	6	67.6 Å²	67.6	6%	0.062	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	123.3	177.3	-169.2	0	0	0	0	0	112.6	L1204 S1221 V1226	L1204-G1224 WeakPolarHBondContact O-CA 3.28Å; S1221-G1224 WeakPolarHBondContact CB-O 3.43Å; S1221-G1224 PolarHBondContact N-O 3.01Å; S1221-G1224 PolarHBondContact O-N 3.43Å; S1221-G1224 PolarHBondContact OG-N 2.84Å; S1221-G1224 PolarHBondContact OG-O 3.34Å; G1224-V1226 PolarHBondContact O-N 3.45Å
1225	L	97.8	Very high	95.4	Very high	5 Å²	5	63.9 Å²	63.9	3%	0.026	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	126.7	-173.4	-158.8	81.4	0	0	0	111.4	C1203 L1204 V1207 V1210 Q1218 E1220	C1203-L1225 CarbonylContact C-O 3.52Å; C1203-L1225 WeakPolarHBondContact CA-O 3.44Å; L1204-L1225 HydrophobicContact CD1-CD2 4.46Å; L1204-L1225 PolarHBondContact N-O 2.91Å; V1207-L1225 WeakPolarHBondContact O-CB 3.23Å; V1207-L1225 PolarHBondContact O-N 3.17Å; V1210-L1225 HydrophobicContact CB-CD2 4.27Å; V1210-L1225 HydrophobicContact CG1-CD2 3.74Å; V1210-L1225 HydrophobicContact CG2-CD2 3.6Å; Q1218-L1225 HydrophobicContact CB-CD1 4.43Å; Q1218-L1225 HydrophobicContact CB-CD2 3.98Å; Q1218-L1225 HydrophobicContact CB-CG 4.16Å; E1220-L1225 HydrophobicContact CG-CD1 4.36Å
1226	V	98.3	Very high	95.6	Very high	36 Å²	36	59.9 Å²	59.9	22%	0.218	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	120.1	176.3	-179.2	0	0	0	0	109.5	T1201 C1203 Q1218 A1219 G1224	T1201-V1226 HydrophobicContact CG2-CG1 4.22Å; C1203-V1226 HydrophobicContact CB-CG2 4.29Å; Q1218-V1226 CarbonylContact C-O 3.6Å; Q1218-V1226 WeakPolarHBondContact CA-O 3.42Å; A1219-V1226 PolarHBondContact N-O 3.17Å; A1219-V1226 PolarHBondContact O-N 3.01Å; G1224-V1226 PolarHBondContact O-N 3.45Å
1227	V	97.9	Very high	95.7	Very high	0 Å²	0	61 Å²	61	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	128.5	177.4	-178.8	0	0	0	0	109.5	L1202 L1204 L1213 S1217 L1234 I1236	L1202-V1227 HydrophobicContact CB-CB 4.43Å; L1202-V1227 PolarHBondContact N-O 3.24Å; L1202-V1227 PolarHBondContact O-N 3.43Å; L1204-V1227 HydrophobicContact CD1-CG2 4.33Å; L1204-V1227 HydrophobicContact CG-CG2 4.47Å; L1213-V1227 HydrophobicContact CD1-CG1 3.78Å; L1213-V1227 HydrophobicContact CD1-CG2 3.87Å; L1213-V1227 HydrophobicContact CD2-CG1 4.43Å; S1217-V1227 CarbonylContact O-C 3.52Å; S1217-V1227 VanDerWaalsContact O-CA 3.29Å; S1217-V1227 WeakPolarHBondContact O-CA 3.29Å; V1227-L1234 HydrophobicContact CG1-CD2 3.67Å; V1227-I1236 HydrophobicContact CG2-CD1 4.36Å
1228	K	97.4	Very high	95.7	Very high	94 Å²	94	61.3 Å²	61.3	41%	0.409	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	120.2	171.2	-171.4	179.8	-176	72.7	0	109.7	G1216 S1217	G1216-K1228 CarbonylContact C-O 3.44Å; G1216-K1228 WeakPolarHBondContact CA-O 3.09Å; S1217-K1228 PolarHBondContact N-O 2.83Å; S1217-K1228 PolarHBondContact O-N 3.07Å
1229	P	96.2	Very high	95.7	Very high	26 Å²	26	59.5 Å²	59.5	17%	0.169	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	146.3	179.2	29.5	-38.2	0	0	0	112.8	W1200 G1231 L1234	W1200-P1229 HydrophobicContact CD2-CG 3.72Å; W1200-P1229 HydrophobicContact CE3-CG 3.75Å; W1200-P1229 HydrophobicContact CH2-CB 3.67Å; W1200-P1229 HydrophobicContact CH2-CG 3.62Å; W1200-P1229 HydrophobicContact CZ2-CB 3.74Å; W1200-P1229 HydrophobicContact CZ2-CG 3.55Å; W1200-P1229 HydrophobicContact CZ3-CB 4.13Å; W1200-P1229 HydrophobicContact CZ3-CG 3.69Å; W1200-P1229 VanDerWaalsContact O-CD 3.3Å; W1200-P1229 WeakPolarHBondContact O-CD 3.37Å; P1229-G1231 WeakPolarHBondContact CB-O 3.47Å; P1229-L1234 VanDerWaalsContact CA-CD2 3.5Å; P1229-L1234 HydrophobicContact CB-CD1 4.08Å; P1229-L1234 HydrophobicContact CB-CD2 3.73Å; P1229-L1234 HydrophobicContact CB-CG 4.14Å
1230	Q	92.3	Very high	95.6	Very high	158 Å²	158	59.6 Å²	59.6	74%	0.738	32%	0.321	S	S	*	.	S	Bend	trans	-98.5	-14.7	164.3	-65.8	-86.2	0.6	0	0	111.9	D1215	D1215-Q1230 WeakPolarHBondContact O-CB 3.31Å; D1215-Q1230 PolarHBondContact O-N 3.03Å
1231	G	89.3	Confident	95.6	Very high	33 Å²	33	53.4 Å²	53.4	34%	0.34	29%	0.294	S	S	.	.	S	Bend	trans	-157.6	-169.8	178.2	0	0	0	0	0	112.5	P1229 A1233	P1229-G1231 WeakPolarHBondContact CB-O 3.47Å; G1231-A1233 VanDerWaalsContact C-N 3.26Å; G1231-A1233 PolarHBondContact O-N 3.21Å
1232	N	88.6	Confident	95.5	Very high	102 Å²	102	53.8 Å²	53.8	55%	0.545	29%	0.292	S	S	.	.	S	Bend	trans	-76	-9.9	-177.1	-78.1	52.2	0	0	0	114.5	G1193	G1193-N1232 PolarHBondContact N-O 3.32Å; G1193-N1232 PolarHBondContact O-ND2 3.49Å
1233	A	93.2	Very high	95.5	Very high	49 Å²	49	44.6 Å²	44.6	41%	0.405	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	142.5	176.5	0	0	0	0	0	109.5	V1191 D1215 G1231	V1191-A1233 CarbonylContact O-C 3.59Å; V1191-A1233 VanDerWaalsContact O-CA 3.29Å; V1191-A1233 WeakPolarHBondContact O-CA 3.13Å; D1215-A1233 WeakPolarHBondContact CB-O 3.44Å; G1231-A1233 VanDerWaalsContact C-N 3.26Å; G1231-A1233 PolarHBondContact O-N 3.21Å
1234	L	94.4	Very high	95.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	149.6	173.7	-42	87	0	0	0	109	V1191 W1200 V1227 P1229	V1191-L1234 HydrophobicContact CB-CB 4.28Å; V1191-L1234 HydrophobicContact CB-CD1 3.91Å; V1191-L1234 HydrophobicContact CG1-CD1 3.78Å; V1191-L1234 PolarHBondContact N-O 2.82Å; V1191-L1234 PolarHBondContact O-N 2.92Å; W1200-L1234 HydrophobicContact CH2-CD1 3.59Å; W1200-L1234 HydrophobicContact CZ2-CD1 4.42Å; W1200-L1234 HydrophobicContact CZ3-CD1 4.41Å; V1227-L1234 HydrophobicContact CG1-CD2 3.67Å; P1229-L1234 VanDerWaalsContact CA-CD2 3.5Å; P1229-L1234 HydrophobicContact CB-CD1 4.08Å; P1229-L1234 HydrophobicContact CB-CD2 3.73Å; P1229-L1234 HydrophobicContact CB-CG 4.14Å
1235	T	96.8	Very high	95.2	Very high	38 Å²	38	46.3 Å²	46.3	23%	0.233	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	129.7	173.5	-55.4	0	0	0	0	109.2	T1188 Q1214	T1188-T1235 HydrophobicContact CG2-CG2 3.49Å; T1188-T1235 VanDerWaalsContact CG2-CG2 3.49Å; Q1214-T1235 PolarHBondContact N-O 3.12Å; Q1214-T1235 PolarHBondContact O-N 3.35Å
1236	I	97.7	Very high	95	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	129.2	179.9	-55.7	160.5	0	0	0	107.4	T1188 I1189 V1191 L1202 L1204 V1210 L1213 V1227	T1188-I1236 WeakPolarHBondContact CA-O 3.3Å; I1189-I1236 HydrophobicContact CB-CB 4.35Å; I1189-I1236 PolarHBondContact N-O 3.27Å; I1189-I1236 PolarHBondContact O-N 2.86Å; V1191-I1236 HydrophobicContact CG2-CD1 4.15Å; L1202-I1236 HydrophobicContact CD2-CD1 4.21Å; L1204-I1236 HydrophobicContact CD1-CD1 4.12Å; L1204-I1236 HydrophobicContact CD1-CG2 4.01Å; L1204-I1236 HydrophobicContact CD2-CD1 3.95Å; V1210-I1236 HydrophobicContact CB-CG2 4.15Å; V1210-I1236 HydrophobicContact CG1-CG2 3.69Å; L1213-I1236 HydrophobicContact CD1-CG1 3.86Å; V1227-I1236 HydrophobicContact CG2-CD1 4.36Å
1237	T	97.7	Very high	94.7	Very high	45 Å²	45	50.6 Å²	50.6	28%	0.276	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	114.9	171.1	-52.6	0	0	0	0	108.1	N1187 N1211 G1212	N1187-T1237 WeakPolarHBondContact O-CA 3.46Å; N1211-T1237 HydrophobicContact CB-CG2 4.25Å; N1211-T1237 PolarHBondContact N-O 2.83Å; G1212-T1237 PolarHBondContact N-O 3.1Å; G1212-T1237 VanDerWaalsContact N-O 3.12Å; G1212-T1237 PolarHBondContact O-N 3.02Å
1238	L	95.5	Very high	94.5	Very high	62 Å²	62	55.2 Å²	55.2	33%	0.325	31%	0.313	S	S	.	.			trans	-61.1	0	-178.5	-63.2	176.9	0	0	0	112.3	N1187 I1189 N1211	N1187-L1238 HydrophobicContact CB-CB 4.39Å; N1187-L1238 PolarHBondContact O-N 3.06Å; I1189-L1238 HydrophobicContact CD1-CD1 4.08Å; I1189-L1238 HydrophobicContact CD1-CD2 3.79Å; I1189-L1238 HydrophobicContact CD1-CG 4.06Å; I1189-L1238 HydrophobicContact CG1-CD1 4.39Å; I1189-L1238 HydrophobicContact CG1-CG 4.36Å; N1211-L1238 PolarHBondContact N-OXT 3.35Å

Retrieved 1,238 of 1,238 residues in 394.4 ms (Link to these results)

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