A0A087XRY9_POEFO Loading...

Beta-mannosidase

Exoglycosidase that cleaves the single beta-linked mannose residue from the non-reducing end of all N-linked glycoprotein oligosaccharides.

AlphaFold DB , UniProt , Accession A0A087XRY9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 892 aa.

						>A0A087XRY9_POEFO|A0A087XRY9
MAQVWTSLNWGLLWLVVGVLPAFSSGEEQRLQLSLNGKWRLSNSNGSLHLPAEVPGCVHSALQRQQYIQDPYFRFNDVMYRWIALDNWTYTTTFTASPQIRVKQKALLVFDGVDTVASVSLNGIVLGKTDNMFRRYDFSVRDLLKDGENVLEVAFLSPVLYAAERRNAHSSYAVPPECPPDVQKGECHVNFIRKEQSSFSWDWGPSFPTMGLWKGVRLEAFDILQLVQLSSLPLYSPDRSLSQWRLQVELLVDAVQSFHGKVEISVSELNSKRTAPTTFLQGKFNYSFTLNINQIREVKLWWPSGLGDQPAYLLTVRAFLGTFLVLHKESRVFFRTVELIQEPIAGSPGLSFYFRINGRPVFLKGSNWIPAHSFQDQVTPASLRNLLQSAVDANMNALRVWGGGVYEQDLFYDICDELGVMVWQDFMFACAMYPTEDDFIQTVREEVVQQVQRLKSHPSIIIWSGNNENEAALATNWFNIPASLKPTYVKDYVTLYVNNIRRIVQQEDPSRPFLVSSPTNGAESEQEGWVAANPYDPHYGDVHFYSYFLDCWDWKTFPRTRFASEYGFQSWPSFSTLQPVSVQDDWSYSSNFSSHRQHHEDGNHLMLQQAALHFILPNSTFPLKRFTDTLYVTQVMQAECVKTQTEFYRRSRSEIIEGKGHTMGALYWQLNDIWQAPSWSSIEFGGKWKMLHHFAQNFFAAVLPVGFEDDDDTLLVYAVSDLSHDLELRAVVTVYSWADLDSVCTLTSSPLLVSGGSAGVIYKQSVAALLAGCGHCTRLTCLLTFHLQDEDGVQHGPTNRHFLCSPKDAVGLQRPNITAKVQEDESGFTVSLHSAAVAPFVWLDVGNIPGRFSSNGFLMVTRNTTVKFVAWRPTSVGELSGSLTVTTLTDIY
					

Structure Viewer

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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	34	Very low	26.3	Very low	238 Å²	238	145.1 Å²	145.1	100%	1.172	77%	0.771	S	S	*	*				0	96.2	0	-70.3	-178.9	-114.1	0	0	105.7
2	A	26.7	Very low	26.4	Very low	91 Å²	91	146.1 Å²	146.1	75%	0.752	78%	0.775	S	S	*	*				57.9	122.8	97.6	0	0	0	0	0	109.8
3	Q	26.4	Very low	26.3	Very low	173 Å²	173	145 Å²	145	81%	0.808	77%	0.769	S	S	*	*			cis	-173.8	134.2	28.5	-112.5	169.5	-26.2	0	0	104.1
4	V	26.9	Very low	26.3	Very low	106 Å²	106	149.4 Å²	149.4	64%	0.642	77%	0.77	S	S	*	*				78.8	113.8	85.3	158.2	0	0	0	0	114.6
5	W	25.5	Very low	26.3	Very low	221 Å²	221	149.1 Å²	149.1	84%	0.837	77%	0.769	S	S	*	*			trans	70.6	150	137.5	-66.4	47.8	0	0	0	117.4
6	T	25.7	Very low	26.4	Very low	104 Å²	104	147 Å²	147	64%	0.638	77%	0.765	S	S	*	*			cis	-169.4	159.2	4	8	0	0	0	0	110.4
7	S	26.7	Very low	26.4	Very low	89 Å²	89	146.8 Å²	146.8	62%	0.622	77%	0.771	S	S	*	*			trans	-15.5	150.6	149.1	57.4	0	0	0	0	121.4
8	L	24.9	Very low	26.4	Very low	149 Å²	149	142.4 Å²	142.4	78%	0.78	77%	0.767	S	S	*	*			trans	148.4	107.8	132.1	-88.4	138.2	0	0	0	108.6
9	N	25.5	Very low	26.7	Very low	134 Å²	134	142.5 Å²	142.5	72%	0.717	77%	0.772	S	S	*	*				77	143.5	68.6	-146.4	16.2	0	0	0	114.8
10	W	24.6	Very low	26.7	Very low	228 Å²	228	143.1 Å²	143.1	86%	0.864	77%	0.774	S	S	*	*			trans	79.4	138.9	176.6	-54	83.4	0	0	0	116.7
11	G	22.8	Very low	26.8	Very low	63 Å²	63	141.1 Å²	141.1	65%	0.649	77%	0.769	S	S	*	*			cis	-175.5	137.3	0.8	0	0	0	0	0	106.8
12	L	26.5	Very low	26.5	Very low	157 Å²	157	134.1 Å²	134.1	82%	0.822	75%	0.749	S	S	*	*				65.5	104	103	-116.9	145.9	0	0	0	115.6
13	L	25.6	Very low	26.7	Very low	132 Å²	132	139.3 Å²	139.3	69%	0.691	76%	0.755	S	S	*	*				152.2	122.9	119.6	-99.6	100.6	0	0	0	115.9
14	W	26.1	Very low	27.2	Very low	207 Å²	207	136 Å²	136	78%	0.784	75%	0.75	S	S	*	*			trans	69.9	142.1	141.1	-62.7	49.5	0	0	0	118.5
15	L	25.9	Very low	27.9	Very low	144 Å²	144	136.2 Å²	136.2	75%	0.754	76%	0.757	S	S	*	*			cis	-163.1	142.4	38.9	-121.2	126.5	0	0	0	111.9
16	V	28.4	Very low	29.3	Very low	116 Å²	116	126.7 Å²	126.7	70%	0.703	73%	0.728	S	S	*	*			trans	1.7	130.8	148.6	-163.3	0	0	0	0	119.7
17	V	26.9	Very low	31.1	Very low	144 Å²	144	127.3 Å²	127.3	87%	0.873	72%	0.723	S	S	*	*				163.5	128.5	115.6	165.5	0	0	0	0	109.3
18	G	25.8	Very low	33.3	Very low	67 Å²	67	124 Å²	124	69%	0.691	70%	0.698	S	S	*	*			trans	146.8	75.2	159.4	0	0	0	0	0	115.1	L20	G18-L20 PolarHBondContact O-N 3.2Å
19	V	33	Very low	35.8	Very low	144 Å²	144	123.5 Å²	123.5	87%	0.873	69%	0.692	S	S	*	*			trans	-59.6	116	168	173.1	0	0	0	0	109.5
20	L	26.4	Very low	38.6	Very low	155 Å²	155	121.6 Å²	121.6	81%	0.812	67%	0.674	S	S	*	*			trans	-123.2	127.3	151.8	-79	165.5	0	0	0	105.7	G18 A22	G18-L20 PolarHBondContact O-N 3.2Å; L20-A22 VanDerWaalsContact C-N 3.31Å; L20-A22 PolarHBondContact O-N 3.47Å
21	P	29.1	Very low	41.8	Very low	101 Å²	101	112.2 Å²	112.2	66%	0.656	64%	0.641	S	S	*	*			trans	-66.3	103.5	168.6	28	-26.7	0	0	0	105.4	F23	P21-F23 VanDerWaalsContact C-N 3.29Å; P21-F23 PolarHBondContact O-N 3.26Å
22	A	27.5	Very low	45.2	Very low	92 Å²	92	114.3 Å²	114.3	76%	0.76	63%	0.634	S	S	*	*			trans	-55.3	106.8	158.9	0	0	0	0	0	105	L20 S24	L20-A22 VanDerWaalsContact C-N 3.31Å; L20-A22 PolarHBondContact O-N 3.47Å; A22-S24 PolarHBondContact O-N 2.93Å
23	F	30.4	Very low	48.5	Very low	200 Å²	200	109.5 Å²	109.5	88%	0.877	61%	0.608	S	S	*	*			trans	-59.3	89.6	159.5	-82.5	-88.2	0	0	0	105	P21 S25	P21-F23 VanDerWaalsContact C-N 3.29Å; P21-F23 PolarHBondContact O-N 3.26Å; F23-S25 PolarHBondContact O-N 3.06Å
24	S	36.2	Very low	51.9	Low	102 Å²	102	106.4 Å²	106.4	71%	0.713	60%	0.598	S	S	*	*			trans	-59.9	111.6	160.9	69.1	0	0	0	0	103.6	A22 G26	A22-S24 PolarHBondContact O-N 2.93Å; S24-G26 PolarHBondContact O-N 2.69Å
25	S	41.9	Very low	55.4	Low	112 Å²	112	97.1 Å²	97.1	78%	0.783	56%	0.564	S	S	*	*			trans	-60.2	87.6	162.2	51.5	0	0	0	0	105.4	F23 E27	F23-S25 PolarHBondContact O-N 3.06Å; S25-E27 PolarHBondContact O-N 3.33Å
26	G	54.9	Low	58.8	Low	21 Å²	21	93.6 Å²	93.6	22%	0.216	55%	0.546	C	S	.	.			trans	-62.7	137.1	-175.4	0	0	0	0	0	108.4	S24 F323	S24-G26 PolarHBondContact O-N 2.69Å; G26-F323 VanDerWaalsContact CA-CE2 3.46Å; G26-F323 WeakPolarHBondContact O-CD2 3.37Å; G26-F323 WeakPolarHBondContact O-CE2 3.42Å; G26-F323 WeakPolarHBondContact O-CG 3.2Å
27	E	64.1	Low	62	Low	116 Å²	116	89.6 Å²	89.6	54%	0.542	53%	0.528	S	S	.	.	B	Isolated β-bridge	trans	-100.9	145.5	166	-174.4	171.4	-169.6	0	0	107	S25 Q29 L324	S25-E27 PolarHBondContact O-N 3.33Å; E27-Q29 PolarHBondContact O-N 2.91Å; E27-L324 CarbonylContact C-O 3.55Å; E27-L324 WeakPolarHBondContact CA-O 3.5Å; E27-L324 HydrophobicContact CG-CB 4.36Å; E27-L324 HydrophobicContact CG-CD2 4.08Å; E27-L324 HydrophobicContact CG-CG 4.31Å
28	E	73.7	Confident	65.3	Low	20 Å²	20	91.5 Å²	91.5	9%	0.093	52%	0.524	C	S	.	.			trans	-61.3	112.1	171.1	-174.9	171.7	-173.6	0	0	109.2	R30 D222 I223 L224 F323 L324 V325	E28-R30 PolarHBondContact O-N 3.23Å; E28-D222 PolarHBondContact OE1-N 2.82Å; E28-I223 WeakPolarHBondContact OE1-CA 3.46Å; E28-I223 WeakPolarHBondContact OE1-CB 3.5Å; E28-I223 PolarHBondContact OE1-N 3.26Å; E28-I223 WeakPolarHBondContact OE2-CB 3.41Å; E28-L224 PolarHBondContact OE1-N 2.75Å; E28-L224 VanDerWaalsContact OE1-N 3.09Å; E28-F323 HydrophobicContact CB-CE1 3.82Å; E28-F323 HydrophobicContact CB-CZ 4.25Å; E28-F323 VanDerWaalsContact N-CZ 3.3Å; E28-L324 PolarHBondContact N-O 2.9Å; E28-V325 HydrophobicContact CB-CB 4.47Å; E28-V325 WeakPolarHBondContact OE2-CB 3.47Å
29	Q	76.9	Confident	68.8	Low	139 Å²	139	88.7 Å²	88.7	65%	0.65	49%	0.493	S	S	*	.			trans	-83.4	87.9	174.1	-159.8	177.9	23.1	0	0	109.2	E27 L31 K103	E27-Q29 PolarHBondContact O-N 2.91Å; Q29-L31 HydrophobicContact CG-CD2 3.94Å; Q29-K103 WeakPolarHBondContact O-CE 3.34Å; Q29-K103 PolarHBondContact O-NZ 3.15Å
30	R	83.9	Confident	71.9	Confident	93 Å²	93	89.2 Å²	89.2	35%	0.351	48%	0.479	S	S	.	.			trans	-63.4	129.9	161.3	173.8	-179.7	140.5	165.9	1.2	108.4	E28 E219	E28-R30 PolarHBondContact O-N 3.23Å; R30-E219 VanDerWaalsContact CZ-CD 3.42Å; R30-E219 IonicContact CZ-OE1 3.51Å; R30-E219 IonicContact CZ-OE2 3.89Å; R30-E219 IonicContact NE-OE2 3.87Å; R30-E219 PolarHBondContact NE-OE2 3.26Å; R30-E219 IonicContact NH1-OE1 2.68Å; R30-E219 IonicContact NH1-OE2 3.94Å; R30-E219 PolarHBondContact NH1-OE2 2.96Å; R30-E219 IonicContact NH2-OE1 3.97Å; R30-E219 PolarHBondContact NH2-OE1 2.94Å; R30-E219 IonicContact NH2-OE2 2.79Å; R30-E219 PolarHBondContact NH2-OE2 2.75Å; R30-E219 VanDerWaalsContact NH2-OE2 3.09Å
31	L	92.7	Very high	75.4	Confident	32 Å²	32	81.9 Å²	81.9	17%	0.168	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	133.8	175.9	-61.5	177.6	0	0	0	109.1	Q29 Q99 I100 A220	Q29-L31 HydrophobicContact CG-CD2 3.94Å; L31-Q99 HydrophobicContact CD1-CB 3.62Å; L31-Q99 WeakPolarHBondContact CD1-O 3.29Å; L31-I100 HydrophobicContact CB-CG1 3.89Å; L31-I100 HydrophobicContact CD1-CG1 3.87Å; L31-A220 PolarHBondContact N-O 2.93Å; L31-A220 PolarHBondContact O-N 2.88Å
32	Q	93.8	Very high	78.7	Confident	107 Å²	107	78.3 Å²	78.3	50%	0.5	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	131.2	176.7	-179.6	175	-28.1	0	0	109.2	R217 L218 E219	Q32-R217 HydrophobicContact CG-CB 4.35Å; Q32-R217 VanDerWaalsContact NE2-CD 3.28Å; Q32-L218 WeakPolarHBondContact CA-O 3.31Å; Q32-E219 HydrophobicContact CG-CG 4.38Å
33	L	95.8	Very high	82.1	Confident	55 Å²	55	74.4 Å²	74.4	29%	0.288	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	112.9	169.4	175.2	65.5	0	0	0	107.7	L35 F94 I100 R217 L218	L33-L35 HydrophobicContact CD2-CD2 3.98Å; L33-L35 HydrophobicContact CG-CD2 4.03Å; L33-F94 HydrophobicContact CD2-CB 4.43Å; L33-F94 HydrophobicContact CD2-CD2 3.96Å; L33-I100 HydrophobicContact CB-CD1 4.19Å; L33-R217 CarbonylContact O-C 3.59Å; L33-R217 VanDerWaalsContact O-CA 3.32Å; L33-R217 WeakPolarHBondContact O-CA 3.39Å; L33-R217 WeakPolarHBondContact O-CB 3.24Å; L33-L218 HydrophobicContact CB-CB 4.29Å; L33-L218 PolarHBondContact N-O 3.38Å; L33-L218 PolarHBondContact O-N 3.35Å
34	S	97.4	Very high	85.2	Confident	67 Å²	67	68.6 Å²	68.6	47%	0.469	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	132.9	169.6	-175.5	0	0	0	0	109.1	N36	S34-N36 WeakPolarHBondContact OG-CB 3.49Å; S34-N36 PolarHBondContact OG-N 2.82Å
35	L	98.1	Very high	88.1	Confident	12 Å²	12	69.3 Å²	69.3	6%	0.063	36%	0.364	C	S	.	.			trans	-106.8	14.5	171.5	-57.8	-179.4	0	0	0	111	L33 W39 F94 L108 L151 V216	L33-L35 HydrophobicContact CD2-CD2 3.98Å; L33-L35 HydrophobicContact CG-CD2 4.03Å; L35-W39 HydrophobicContact CB-CZ2 4.43Å; L35-W39 PolarHBondContact O-NE1 3.18Å; L35-F94 HydrophobicContact CD1-CD1 4.17Å; L35-F94 HydrophobicContact CD1-CE1 4.21Å; L35-F94 HydrophobicContact CD2-CB 3.73Å; L35-F94 HydrophobicContact CD2-CD1 4.02Å; L35-F94 HydrophobicContact CD2-CD2 4.28Å; L35-F94 HydrophobicContact CD2-CG 3.75Å; L35-L108 HydrophobicContact CD1-CD1 3.57Å; L35-L151 HydrophobicContact CD1-CD2 3.98Å; L35-V216 WeakPolarHBondContact CA-O 3.42Å; L35-V216 HydrophobicContact CB-CB 4.23Å; L35-V216 HydrophobicContact CB-CG1 4.16Å; L35-V216 HydrophobicContact CD1-CG1 4.21Å; L35-V216 PolarHBondContact N-O 3.46Å
36	N	97.8	Very high	90.6	Very high	71 Å²	71	66.2 Å²	66.2	38%	0.38	35%	0.35	S	S	.	.			trans	-67.8	159.4	168.6	-64	-3.4	0	0	0	110.6	S34 V54 G215 V216	S34-N36 WeakPolarHBondContact OG-CB 3.49Å; S34-N36 PolarHBondContact OG-N 2.82Å; N36-V54 CarbonylContact C-O 3.59Å; N36-V54 VanDerWaalsContact CA-O 3.27Å; N36-V54 WeakPolarHBondContact CA-O 3.43Å; N36-V54 WeakPolarHBondContact CB-O 3.27Å; N36-G215 WeakPolarHBondContact OD1-CA 3.23Å; N36-V216 PolarHBondContact OD1-N 3.07Å; N36-V216 PolarHBondContact OD1-O 2.92Å
37	G	96.2	Very high	92.6	Very high	32 Å²	32	69.2 Å²	69.2	33%	0.33	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	106.8	-130.7	-179.3	0	0	0	0	0	111.2	E53 V54	G37-E53 CarbonylContact O-C 3.43Å; G37-E53 VanDerWaalsContact O-CA 3.27Å; G37-E53 WeakPolarHBondContact O-CA 3.36Å; G37-V54 PolarHBondContact N-O 2.65Å; G37-V54 PolarHBondContact O-N 3.29Å
38	K	96.7	Very high	94.2	Very high	184 Å²	184	65 Å²	65	80%	0.8	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	123.9	-164.8	-60.8	-176.9	-178.2	-178.6	0	112.6	T92	K38-T92 PolarHBondContact O-OG1 3.44Å
39	W	98.6	Very high	95.3	Very high	8 Å²	8	69 Å²	69	3%	0.03	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	172.3	173	-72.6	59.5	0	0	0	109.2	L35 A52 V54 Y90 T92 L151 V153 L212 V216	L35-W39 HydrophobicContact CB-CZ2 4.43Å; L35-W39 PolarHBondContact O-NE1 3.18Å; W39-A52 PolarHBondContact N-O 2.85Å; W39-A52 PolarHBondContact O-N 3.26Å; W39-A52 VanDerWaalsContact O-O 3.14Å; W39-V54 HydrophobicContact CB-CG2 4.15Å; W39-V54 VanDerWaalsContact CD1-CG2 3.43Å; W39-V54 HydrophobicContact CD2-CG2 3.73Å; W39-V54 HydrophobicContact CG-CB 4.28Å; W39-V54 HydrophobicContact CG-CG2 3.53Å; W39-Y90 HydrophobicContact CB-CD1 4.16Å; W39-Y90 HydrophobicContact CE3-CD1 4.32Å; W39-T92 VanDerWaalsContact CD2-CB 3.46Å; W39-T92 HydrophobicContact CD2-CG2 3.68Å; W39-T92 VanDerWaalsContact CE2-CG2 3.48Å; W39-T92 HydrophobicContact CE3-CG2 3.78Å; W39-T92 HydrophobicContact CG-CG2 4.46Å; W39-T92 HydrophobicContact CH2-CG2 3.65Å; W39-T92 HydrophobicContact CZ2-CG2 3.48Å; W39-T92 VanDerWaalsContact CZ2-CG2 3.48Å; W39-T92 HydrophobicContact CZ3-CG2 3.77Å; W39-L151 HydrophobicContact CH2-CD2 3.53Å; W39-L151 HydrophobicContact CH2-CG 3.91Å; W39-L151 HydrophobicContact CZ2-CD2 4.19Å; W39-L151 HydrophobicContact CZ3-CD2 4.36Å; W39-L151 HydrophobicContact CZ3-CG 4.27Å; W39-V153 HydrophobicContact CH2-CG2 4.48Å; W39-V153 HydrophobicContact CZ3-CG2 4.26Å; W39-L212 HydrophobicContact CD2-CD1 4.47Å; W39-L212 HydrophobicContact CE3-CD1 4.2Å; W39-L212 HydrophobicContact CH2-CD1 3.73Å; W39-L212 HydrophobicContact CZ2-CD1 4.08Å; W39-L212 HydrophobicContact CZ3-CD1 3.82Å; W39-V216 HydrophobicContact CZ2-CB 4.34Å; W39-V216 HydrophobicContact CZ2-CG1 4.36Å; W39-V216 HydrophobicContact CZ2-CG2 4.36Å
40	R	98.4	Very high	96.3	Very high	155 Å²	155	62.6 Å²	62.6	59%	0.585	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.4	145.4	167.6	-62.1	178.5	-174.3	-172	7.1	108.6	L50 Y90 T91	R40-L50 WeakPolarHBondContact CA-O 3.4Å; R40-Y90 CarbonylContact O-C 3.53Å; R40-Y90 WeakPolarHBondContact O-CA 3.42Å; R40-T91 PolarHBondContact N-O 3.43Å; R40-T91 PolarHBondContact O-N 3.09Å
41	L	98.6	Very high	97	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	133.6	177.8	176.9	64.6	0	0	0	108.6	H49 L50 A52 V58 A61 W88 T89 Y90	L41-H49 CarbonylContact O-C 3.49Å; L41-H49 VanDerWaalsContact O-CA 3.31Å; L41-H49 WeakPolarHBondContact O-CA 3.42Å; L41-L50 HydrophobicContact CB-CG 4.32Å; L41-L50 HydrophobicContact CD2-CD1 4.45Å; L41-L50 PolarHBondContact N-O 3.27Å; L41-L50 PolarHBondContact O-N 2.84Å; L41-A52 HydrophobicContact CB-CB 3.76Å; L41-A52 HydrophobicContact CD2-CB 4.49Å; L41-V58 HydrophobicContact CD1-CG2 4.19Å; L41-V58 HydrophobicContact CD2-CB 4.4Å; L41-V58 HydrophobicContact CD2-CG1 4.27Å; L41-V58 HydrophobicContact CD2-CG2 4.2Å; L41-A61 HydrophobicContact CD2-CB 3.87Å; L41-W88 HydrophobicContact CD1-CB 4.04Å; L41-W88 HydrophobicContact CD1-CD2 4.48Å; L41-W88 HydrophobicContact CD1-CE3 3.82Å; L41-W88 HydrophobicContact CD2-CE3 3.94Å; L41-W88 HydrophobicContact CD2-CZ3 4.12Å; L41-W88 HydrophobicContact CG-CE3 3.74Å; L41-W88 HydrophobicContact CG-CZ3 4.16Å; L41-T89 WeakPolarHBondContact CA-O 3.19Å; L41-Y90 HydrophobicContact CD1-CD2 3.65Å; L41-Y90 HydrophobicContact CD1-CE2 3.52Å; L41-Y90 HydrophobicContact CD1-CG 4.27Å
42	S	98.6	Very high	97.3	Very high	26 Å²	26	60.3 Å²	60.3	18%	0.182	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	149.5	173.6	56.2	0	0	0	0	111.6	L48 W88 T89	S42-L48 WeakPolarHBondContact CA-O 3.5Å; S42-W88 CarbonylContact O-C 3.6Å; S42-W88 WeakPolarHBondContact O-CA 3.21Å; S42-T89 PolarHBondContact N-O 2.91Å; S42-T89 PolarHBondContact O-N 2.67Å
43	N	98.5	Very high	97.4	Very high	11 Å²	11	60 Å²	60	6%	0.059	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	173	175.3	86.4	-53	0	0	0	111.2	N45 G46 S47 L48 D86 N87 W88	N43-N45 VanDerWaalsContact C-N 3.33Å; N43-N45 PolarHBondContact ND2-OD1 2.66Å; N43-N45 PolarHBondContact O-N 3.45Å; N43-N45 PolarHBondContact OD1-OD1 3.32Å; N43-N45 VanDerWaalsContact OD1-OD1 3.1Å; N43-G46 PolarHBondContact O-N 3.13Å; N43-G46 PolarHBondContact OD1-N 2.96Å; N43-S47 PolarHBondContact OD1-N 3.14Å; N43-S47 PolarHBondContact OD1-OG 3.4Å; N43-L48 HydrophobicContact CB-CB 4.16Å; N43-L48 PolarHBondContact N-O 3.2Å; N43-L48 PolarHBondContact OD1-N 2.69Å; N43-D86 WeakPolarHBondContact CB-OD2 3.26Å; N43-D86 PolarHBondContact ND2-OD2 2.78Å; N43-N87 CarbonylContact C-O 3.57Å; N43-N87 WeakPolarHBondContact CA-O 3.33Å; N43-W88 HydrophobicContact CB-CD2 4.24Å; N43-W88 HydrophobicContact CB-CE3 3.84Å; N43-W88 HydrophobicContact CB-CH2 3.91Å; N43-W88 HydrophobicContact CB-CZ2 4.28Å; N43-W88 HydrophobicContact CB-CZ3 3.68Å
44	S	96.5	Very high	97.6	Very high	78 Å²	78	57.6 Å²	57.6	55%	0.545	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-38.4	-167.9	64.1	0	0	0	0	115.2	D86 N87	S44-D86 WeakPolarHBondContact CB-OD1 3.5Å; S44-D86 PolarHBondContact OG-OD1 3.45Å; S44-N87 PolarHBondContact N-O 3.44Å
45	N	96.6	Very high	97.6	Very high	116 Å²	116	57 Å²	57	62%	0.62	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	0.9	179.9	70.6	9.3	0	0	0	113.4	N43 S47	N43-N45 VanDerWaalsContact C-N 3.33Å; N43-N45 PolarHBondContact ND2-OD1 2.66Å; N43-N45 PolarHBondContact O-N 3.45Å; N43-N45 PolarHBondContact OD1-OD1 3.32Å; N43-N45 VanDerWaalsContact OD1-OD1 3.1Å; N45-S47 PolarHBondContact O-N 3.08Å; N45-S47 WeakPolarHBondContact OD1-CB 3.05Å; N45-S47 PolarHBondContact OD1-N 3.06Å; N45-S47 PolarHBondContact OD1-OG 3.37Å
46	G	95.6	Very high	97.6	Very high	47 Å²	47	56.4 Å²	56.4	49%	0.485	32%	0.315	S	S	.	.	S	Bend	trans	69.9	7.9	179.6	0	0	0	0	0	115.7	N43 L48	N43-G46 PolarHBondContact O-N 3.13Å; N43-G46 PolarHBondContact OD1-N 2.96Å; G46-L48 VanDerWaalsContact C-N 3.29Å; G46-L48 PolarHBondContact O-N 2.56Å
47	S	96.9	Very high	97.6	Very high	85 Å²	85	53.2 Å²	53.2	59%	0.594	30%	0.298	S	S	*	.	S	Bend	trans	-68.8	-29	178.1	62.8	0	0	0	0	112.9	N43 N45	N43-S47 PolarHBondContact OD1-N 3.14Å; N43-S47 PolarHBondContact OD1-OG 3.4Å; N45-S47 PolarHBondContact O-N 3.08Å; N45-S47 WeakPolarHBondContact OD1-CB 3.05Å; N45-S47 PolarHBondContact OD1-N 3.06Å; N45-S47 PolarHBondContact OD1-OG 3.37Å
48	L	97.5	Very high	97.8	Very high	28 Å²	28	51.7 Å²	51.7	15%	0.147	28%	0.282	C	S	.	.			trans	-104.3	126.7	170.4	-61.3	177.7	0	0	0	109	S42 N43 G46 L50 L62 Y67 W82 W88	S42-L48 WeakPolarHBondContact CA-O 3.5Å; N43-L48 HydrophobicContact CB-CB 4.16Å; N43-L48 PolarHBondContact N-O 3.2Å; N43-L48 PolarHBondContact OD1-N 2.69Å; G46-L48 VanDerWaalsContact C-N 3.29Å; G46-L48 PolarHBondContact O-N 2.56Å; L48-L50 HydrophobicContact CB-CD2 4.2Å; L48-L62 HydrophobicContact CD1-CD2 4.3Å; L48-Y67 HydrophobicContact CD2-CD1 3.69Å; L48-Y67 HydrophobicContact CD2-CE1 3.62Å; L48-W82 HydrophobicContact CD1-CH2 3.64Å; L48-W82 HydrophobicContact CD1-CZ3 3.88Å; L48-W88 HydrophobicContact CB-CZ3 4.49Å; L48-W88 HydrophobicContact CD1-CH2 3.73Å; L48-W88 HydrophobicContact CD1-CZ3 4.29Å
49	H	96.7	Very high	97.9	Very high	104 Å²	104	43 Å²	43	48%	0.481	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	107.6	173.1	178.1	-74.8	0	0	0	108.9	L41	L41-H49 CarbonylContact O-C 3.49Å; L41-H49 VanDerWaalsContact O-CA 3.31Å; L41-H49 WeakPolarHBondContact O-CA 3.42Å
50	L	97.9	Very high	97.8	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.016	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	159.6	-170.1	60.4	139.3	0	0	0	112.6	R40 L41 L48 A61 L62 Q65 Y67	R40-L50 WeakPolarHBondContact CA-O 3.4Å; L41-L50 HydrophobicContact CB-CG 4.32Å; L41-L50 HydrophobicContact CD2-CD1 4.45Å; L41-L50 PolarHBondContact N-O 3.27Å; L41-L50 PolarHBondContact O-N 2.84Å; L48-L50 HydrophobicContact CB-CD2 4.2Å; L50-A61 HydrophobicContact CD1-CB 4.23Å; L50-L62 HydrophobicContact CD1-CD2 4.07Å; L50-L62 HydrophobicContact CD2-CD2 3.78Å; L50-Q65 HydrophobicContact CB-CG 4.24Å; L50-Q65 HydrophobicContact CD1-CB 3.9Å; L50-Q65 HydrophobicContact CD1-CG 3.67Å; L50-Y67 HydrophobicContact CB-CE2 3.8Å; L50-Y67 HydrophobicContact CD1-CD2 4.29Å; L50-Y67 HydrophobicContact CD1-CE2 4.39Å; L50-Y67 HydrophobicContact CD2-CE2 4.32Å; L50-Y67 HydrophobicContact CG-CE2 4.39Å
51	P	98.2	Very high	97.8	Very high	74 Å²	74	35.3 Å²	35.3	48%	0.481	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	142.7	167.9	-19.4	32.4	0	0	0	111.7
52	A	97.9	Very high	97.8	Very high	4 Å²	4	35.3 Å²	35.3	3%	0.033	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	155.2	171.5	0	0	0	0	0	110.5	W39 L41 A61 Y90	W39-A52 PolarHBondContact N-O 2.85Å; W39-A52 PolarHBondContact O-N 3.26Å; W39-A52 VanDerWaalsContact O-O 3.14Å; L41-A52 HydrophobicContact CB-CB 3.76Å; L41-A52 HydrophobicContact CD2-CB 4.49Å; A52-A61 HydrophobicContact CB-CB 3.8Å; A52-Y90 HydrophobicContact CB-CD1 4.3Å; A52-Y90 HydrophobicContact CB-CE1 3.65Å
53	E	97.6	Very high	97.8	Very high	101 Å²	101	36.9 Å²	36.9	47%	0.472	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	150.2	170.9	-66.5	173.7	164.6	0	0	111	G37 G56 R64	G37-E53 CarbonylContact O-C 3.43Å; G37-E53 VanDerWaalsContact O-CA 3.27Å; G37-E53 WeakPolarHBondContact O-CA 3.36Å; E53-G56 WeakPolarHBondContact O-CA 3.19Å; E53-R64 IonicContact OE1-NH1 3.38Å; E53-R64 IonicContact OE2-CZ 2.89Å; E53-R64 IonicContact OE2-NH1 2.7Å; E53-R64 PolarHBondContact OE2-NH1 3.25Å
54	V	98.3	Very high	97.8	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.024	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	127.5	172.9	174.2	0	0	0	0	108.5	N36 G37 W39 Y90 L212 V216	N36-V54 CarbonylContact C-O 3.59Å; N36-V54 VanDerWaalsContact CA-O 3.27Å; N36-V54 WeakPolarHBondContact CA-O 3.43Å; N36-V54 WeakPolarHBondContact CB-O 3.27Å; G37-V54 PolarHBondContact N-O 2.65Å; G37-V54 PolarHBondContact O-N 3.29Å; W39-V54 HydrophobicContact CB-CG2 4.15Å; W39-V54 VanDerWaalsContact CD1-CG2 3.43Å; W39-V54 HydrophobicContact CD2-CG2 3.73Å; W39-V54 HydrophobicContact CG-CB 4.28Å; W39-V54 HydrophobicContact CG-CG2 3.53Å; V54-Y90 HydrophobicContact CG2-CD1 3.92Å; V54-Y90 HydrophobicContact CG2-CE1 3.98Å; V54-L212 HydrophobicContact CG1-CB 3.71Å; V54-L212 HydrophobicContact CG1-CD1 4.08Å; V54-L212 HydrophobicContact CG2-CB 4.09Å; V54-L212 HydrophobicContact CG2-CD1 3.78Å; V54-V216 HydrophobicContact CG1-CG2 3.97Å
55	P	98.1	Very high	97.8	Very high	53 Å²	53	40.5 Å²	40.5	34%	0.344	22%	0.224	S	C	.	.	S	Bend	cis	-62.8	144.8	-1.4	-21	34	0	0	0	113.3	L212	P55-L212 CarbonylContact C-O 3.57Å; P55-L212 WeakPolarHBondContact CA-O 3.29Å
56	G	98.3	Very high	97.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.9	170.7	-175.6	0	0	0	0	0	113.5	E53 L212	E53-G56 WeakPolarHBondContact O-CA 3.19Å; G56-L212 PolarHBondContact N-O 2.81Å; G56-L212 CarbonylContact O-C 3.52Å; G56-L212 PolarHBondContact O-N 3.05Å; G56-L212 VanDerWaalsContact O-N 3.16Å
57	C	98.7	Very high	98	Very high	5 Å²	5	47 Å²	47	3%	0.034	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	167.5	177.6	73.3	0	0	0	0	112.8	H59 S60 A61 Y90 T209 M210 F374 D376	C57-H59 PolarHBondContact O-N 2.99Å; C57-S60 PolarHBondContact O-N 2.88Å; C57-S60 PolarHBondContact O-OG 2.88Å; C57-A61 WeakPolarHBondContact O-CB 3.48Å; C57-A61 PolarHBondContact O-N 3.21Å; C57-Y90 WeakPolarHBondContact CA-OH 3.31Å; C57-Y90 PolarHBondContact O-OH 2.99Å; C57-T209 HydrophobicContact CB-CG2 3.81Å; C57-T209 WeakPolarHBondContact CB-OG1 3.49Å; C57-M210 CarbonylContact C-O 3.58Å; C57-M210 WeakPolarHBondContact CA-O 3.5Å; C57-M210 WeakPolarHBondContact CB-O 3.4Å; C57-F374 VanDerWaalsContact SG-CD1 3.59Å; C57-D376 PolarHBondContact SG-OD1 3.46Å; C57-D376 VanDerWaalsContact SG-OD1 3.36Å
58	V	98.8	Very high	98	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-57.9	-48.2	-177.5	170.4	0	0	0	0	111.5	L41 S60 A61 L62 I83 W88 Y90 M210	L41-V58 HydrophobicContact CD1-CG2 4.19Å; L41-V58 HydrophobicContact CD2-CB 4.4Å; L41-V58 HydrophobicContact CD2-CG1 4.27Å; L41-V58 HydrophobicContact CD2-CG2 4.2Å; V58-S60 PolarHBondContact O-N 2.97Å; V58-A61 PolarHBondContact O-N 3.06Å; V58-L62 HydrophobicContact CG1-CD1 3.77Å; V58-L62 HydrophobicContact CG1-CG 4.36Å; V58-L62 WeakPolarHBondContact O-CG 3.07Å; V58-L62 PolarHBondContact O-N 3.35Å; V58-I83 HydrophobicContact CB-CG2 4.36Å; V58-I83 HydrophobicContact CG1-CG2 3.44Å; V58-I83 VanDerWaalsContact CG1-CG2 3.44Å; V58-W88 HydrophobicContact CB-CD2 4.44Å; V58-W88 HydrophobicContact CG1-CD2 3.56Å; V58-W88 VanDerWaalsContact CG1-CE2 3.44Å; V58-W88 HydrophobicContact CG1-CE3 3.91Å; V58-W88 HydrophobicContact CG1-CG 4.09Å; V58-W88 HydrophobicContact CG1-CH2 3.98Å; V58-W88 HydrophobicContact CG1-CZ2 3.66Å; V58-W88 HydrophobicContact CG1-CZ3 4.1Å; V58-W88 HydrophobicContact CG2-CB 3.86Å; V58-W88 HydrophobicContact CG2-CD2 3.93Å; V58-W88 HydrophobicContact CG2-CE3 4.41Å; V58-W88 HydrophobicContact CG2-CG 3.67Å; V58-Y90 HydrophobicContact CG2-CE2 4.12Å; V58-Y90 PolarHBondContact N-OH 3.24Å; V58-M210 HydrophobicContact CG2-CB 4.05Å; V58-M210 WeakPolarHBondContact CG2-O 3.29Å; V58-M210 PolarHBondContact N-O 3.41Å
59	H	98.8	Very high	98.1	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-60	-48.3	-178.7	-71.1	78.9	0	0	0	111.6	C57 A61 L62 Q63 I83 F207 T209 F374	C57-H59 PolarHBondContact O-N 2.99Å; H59-A61 VanDerWaalsContact C-N 3.3Å; H59-A61 PolarHBondContact O-N 3.1Å; H59-L62 PolarHBondContact O-N 2.89Å; H59-Q63 WeakPolarHBondContact O-CB 3.09Å; H59-Q63 PolarHBondContact O-N 3.32Å; H59-I83 VanDerWaalsContact CE1-CG2 3.45Å; H59-I83 WeakPolarHBondContact CE1-CG2 3.38Å; H59-F207 AromaticContact CD2-CD1 3.92Å; H59-F207 AromaticContact NE2-CD1 3.73Å; H59-T209 WeakPolarHBondContact ND1-CB 3.47Å; H59-T209 PolarHBondContact ND1-OG1 3.46Å; H59-F374 HydrophobicContact CB-CD1 4.1Å; H59-F374 HydrophobicContact CB-CE1 3.42Å; H59-F374 VanDerWaalsContact CB-CE1 3.42Å; H59-F374 HydrophobicContact CB-CE2 4.07Å; H59-F374 HydrophobicContact CB-CZ 3.43Å; H59-F374 VanDerWaalsContact CB-CZ 3.43Å; H59-F374 AromaticContact CD2-CZ 3.95Å; H59-F374 AromaticContact CG-CE1 3.56Å; H59-F374 AromaticContact CG-CZ 3.71Å; H59-F374 AromaticContact ND1-CE1 3.92Å
60	S	98.1	Very high	98.2	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.007	22%	0.218	C	C	.	.	H	α-helix	trans	-66.9	-32.7	179.8	79.1	0	0	0	0	112.1	C57 V58 R64 D376	C57-S60 PolarHBondContact O-N 2.88Å; C57-S60 PolarHBondContact O-OG 2.88Å; V58-S60 PolarHBondContact O-N 2.97Å; S60-R64 WeakPolarHBondContact O-CB 3.17Å; S60-R64 VanDerWaalsContact O-CG 3.27Å; S60-R64 WeakPolarHBondContact O-CG 3.46Å; S60-R64 PolarHBondContact O-N 2.81Å; S60-R64 PolarHBondContact O-NE 3.49Å; S60-R64 PolarHBondContact OG-NH2 3.2Å; S60-R64 VanDerWaalsContact OG-NH2 3.13Å; S60-D376 WeakPolarHBondContact CB-OD2 3.38Å; S60-D376 PolarHBondContact OG-OD2 2.54Å
61	A	98.6	Very high	98.2	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-65.8	-48.2	173.5	0	0	0	0	0	111.7	L41 L50 A52 C57 V58 H59 Q63 R64 Q65	L41-A61 HydrophobicContact CD2-CB 3.87Å; L50-A61 HydrophobicContact CD1-CB 4.23Å; A52-A61 HydrophobicContact CB-CB 3.8Å; C57-A61 WeakPolarHBondContact O-CB 3.48Å; C57-A61 PolarHBondContact O-N 3.21Å; V58-A61 PolarHBondContact O-N 3.06Å; H59-A61 VanDerWaalsContact C-N 3.3Å; H59-A61 PolarHBondContact O-N 3.1Å; A61-Q63 PolarHBondContact O-N 2.9Å; A61-R64 PolarHBondContact O-N 2.66Å; A61-Q65 WeakPolarHBondContact O-CB 3.32Å; A61-Q65 WeakPolarHBondContact O-CG 3.48Å; A61-Q65 PolarHBondContact O-N 3.48Å
62	L	98.8	Very high	98.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.2	-43.2	177.8	-69.9	168.1	0	0	0	111.9	L48 L50 V58 H59 Q65 Q66 Y67 I68 W82 I83 W88	L48-L62 HydrophobicContact CD1-CD2 4.3Å; L50-L62 HydrophobicContact CD1-CD2 4.07Å; L50-L62 HydrophobicContact CD2-CD2 3.78Å; V58-L62 HydrophobicContact CG1-CD1 3.77Å; V58-L62 HydrophobicContact CG1-CG 4.36Å; V58-L62 WeakPolarHBondContact O-CG 3.07Å; V58-L62 PolarHBondContact O-N 3.35Å; H59-L62 PolarHBondContact O-N 2.89Å; L62-Q65 CarbonylContact O-C 3.56Å; L62-Q65 PolarHBondContact O-N 2.93Å; L62-Q66 PolarHBondContact O-N 3.4Å; L62-Q66 VanDerWaalsContact O-N 3.07Å; L62-Y67 HydrophobicContact CD2-CG 4.25Å; L62-Y67 PolarHBondContact O-N 2.93Å; L62-I68 HydrophobicContact CB-CD1 3.76Å; L62-I68 HydrophobicContact CB-CG1 3.77Å; L62-I68 HydrophobicContact CB-CG2 4.46Å; L62-I68 HydrophobicContact CD1-CD1 4.49Å; L62-W82 HydrophobicContact CD1-CH2 4.28Å; L62-I83 HydrophobicContact CD1-CD1 3.67Å; L62-I83 HydrophobicContact CD1-CG1 3.97Å; L62-I83 HydrophobicContact CD1-CG2 4.02Å; L62-W88 HydrophobicContact CD1-CH2 3.74Å; L62-W88 HydrophobicContact CD1-CZ2 4.09Å; L62-W88 HydrophobicContact CD1-CZ3 4.5Å; L62-W88 HydrophobicContact CD2-CH2 3.98Å; L62-W88 HydrophobicContact CD2-CZ3 4.27Å; L62-W88 HydrophobicContact CG-CH2 4.28Å
63	Q	98.4	Very high	98.3	Very high	60 Å²	60	44 Å²	44	28%	0.28	20%	0.204	S	C	.	.	H	α-helix	trans	-64	-47.3	178.1	-175.3	-176.7	8.5	0	0	111.4	H59 A61 Q65 Q66 I68	H59-Q63 WeakPolarHBondContact O-CB 3.09Å; H59-Q63 PolarHBondContact O-N 3.32Å; A61-Q63 PolarHBondContact O-N 2.9Å; Q63-Q65 PolarHBondContact O-N 3.17Å; Q63-Q66 WeakPolarHBondContact O-CA 3.25Å; Q63-Q66 PolarHBondContact O-N 2.97Å; Q63-I68 HydrophobicContact CB-CD1 4.41Å; Q63-I68 HydrophobicContact CB-CG1 4.1Å
64	R	97.3	Very high	98.3	Very high	84 Å²	84	42.5 Å²	42.5	32%	0.317	19%	0.194	S	C	.	.	H	α-helix	trans	-61.3	-34.2	177.9	-79.5	177.4	-72.7	149.2	-8.6	112.9	E53 S60 A61 Q66	E53-R64 IonicContact OE1-NH1 3.38Å; E53-R64 IonicContact OE2-CZ 2.89Å; E53-R64 IonicContact OE2-NH1 2.7Å; E53-R64 PolarHBondContact OE2-NH1 3.25Å; S60-R64 WeakPolarHBondContact O-CB 3.17Å; S60-R64 VanDerWaalsContact O-CG 3.27Å; S60-R64 WeakPolarHBondContact O-CG 3.46Å; S60-R64 PolarHBondContact O-N 2.81Å; S60-R64 PolarHBondContact O-NE 3.49Å; S60-R64 PolarHBondContact OG-NH2 3.2Å; S60-R64 VanDerWaalsContact OG-NH2 3.13Å; A61-R64 PolarHBondContact O-N 2.66Å; R64-Q66 VanDerWaalsContact C-N 3.28Å
65	Q	97.7	Very high	98.3	Very high	80 Å²	80	44.8 Å²	44.8	37%	0.374	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	7.3	176.1	-59.1	-55.5	-52	0	0	113.1	L50 A61 L62 Q63 Y67	L50-Q65 HydrophobicContact CB-CG 4.24Å; L50-Q65 HydrophobicContact CD1-CB 3.9Å; L50-Q65 HydrophobicContact CD1-CG 3.67Å; A61-Q65 WeakPolarHBondContact O-CB 3.32Å; A61-Q65 WeakPolarHBondContact O-CG 3.48Å; A61-Q65 PolarHBondContact O-N 3.48Å; L62-Q65 CarbonylContact O-C 3.56Å; L62-Q65 PolarHBondContact O-N 2.93Å; Q63-Q65 PolarHBondContact O-N 3.17Å; Q65-Y67 HydrophobicContact CB-CD2 3.67Å; Q65-Y67 HydrophobicContact CB-CE2 3.87Å; Q65-Y67 PolarHBondContact O-N 3.4Å
66	Q	97.1	Very high	98.4	Very high	176 Å²	176	42.4 Å²	42.4	82%	0.822	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.4	24.1	175.2	-54.6	-178.9	-37.2	0	0	114.9	L62 Q63 R64 I68	L62-Q66 PolarHBondContact O-N 3.4Å; L62-Q66 VanDerWaalsContact O-N 3.07Å; Q63-Q66 WeakPolarHBondContact O-CA 3.25Å; Q63-Q66 PolarHBondContact O-N 2.97Å; R64-Q66 VanDerWaalsContact C-N 3.28Å; Q66-I68 VanDerWaalsContact C-N 3.29Å
67	Y	97.8	Very high	98.4	Very high	123 Å²	123	42.7 Å²	42.7	48%	0.482	19%	0.19	S	C	.	.	S	Bend	trans	-73.8	-26	170.5	-78.6	-90.3	0	0	0	112.2	L48 L50 L62 Q65	L48-Y67 HydrophobicContact CD2-CD1 3.69Å; L48-Y67 HydrophobicContact CD2-CE1 3.62Å; L50-Y67 HydrophobicContact CB-CE2 3.8Å; L50-Y67 HydrophobicContact CD1-CD2 4.29Å; L50-Y67 HydrophobicContact CD1-CE2 4.39Å; L50-Y67 HydrophobicContact CD2-CE2 4.32Å; L50-Y67 HydrophobicContact CG-CE2 4.39Å; L62-Y67 HydrophobicContact CD2-CG 4.25Å; L62-Y67 PolarHBondContact O-N 2.93Å; Q65-Y67 HydrophobicContact CB-CD2 3.67Å; Q65-Y67 HydrophobicContact CB-CE2 3.87Å; Q65-Y67 PolarHBondContact O-N 3.4Å
68	I	98.4	Very high	98.4	Very high	12 Å²	12	46 Å²	46	6%	0.062	21%	0.21	C	C	.	.	S	Bend	trans	-131.9	157.8	176.1	63.5	175.1	0	0	0	109.5	L62 Q63 Q66 P71 Y80 W82 I83	L62-I68 HydrophobicContact CB-CD1 3.76Å; L62-I68 HydrophobicContact CB-CG1 3.77Å; L62-I68 HydrophobicContact CB-CG2 4.46Å; L62-I68 HydrophobicContact CD1-CD1 4.49Å; Q63-I68 HydrophobicContact CB-CD1 4.41Å; Q63-I68 HydrophobicContact CB-CG1 4.1Å; Q66-I68 VanDerWaalsContact C-N 3.29Å; I68-P71 HydrophobicContact CD1-CG 4.12Å; I68-Y80 HydrophobicContact CB-CD2 4.26Å; I68-Y80 HydrophobicContact CB-CE1 4.07Å; I68-Y80 HydrophobicContact CB-CE2 3.67Å; I68-Y80 HydrophobicContact CD1-CD2 4.26Å; I68-Y80 HydrophobicContact CD1-CE2 4.35Å; I68-Y80 HydrophobicContact CG1-CE2 4.41Å; I68-Y80 HydrophobicContact CG2-CD1 4.15Å; I68-Y80 HydrophobicContact CG2-CE1 3.85Å; I68-Y80 HydrophobicContact CG2-CE2 4.23Å; I68-Y80 HydrophobicContact CG2-CG 4.48Å; I68-W82 HydrophobicContact CG2-CZ2 4.26Å; I68-I83 HydrophobicContact CD1-CD1 3.82Å; I68-I83 HydrophobicContact CG2-CD1 4.29Å
69	Q	98.2	Very high	98.3	Very high	113 Å²	113	51.1 Å²	51.1	53%	0.528	24%	0.235	S	C	.	.			trans	-73.9	-177.2	167.8	-63.6	178.8	-3.9	0	0	109.9	P71 Y80	Q69-P71 VanDerWaalsContact O-CD 3.28Å; Q69-P71 WeakPolarHBondContact O-CD 3.44Å; Q69-P71 VanDerWaalsContact O-N 3.16Å; Q69-Y80 PolarHBondContact N-OH 3.43Å
70	D	98.4	Very high	98.3	Very high	56 Å²	56	52.3 Å²	52.3	30%	0.299	24%	0.24	S	C	.	.			trans	-53.8	120.6	168.7	-180	9.2	0	0	0	110.3	Y72 F73 N76	D70-Y72 PolarHBondContact O-N 2.77Å; D70-Y72 VanDerWaalsContact O-N 3.15Å; D70-Y72 PolarHBondContact OD1-N 2.93Å; D70-F73 HydrophobicContact CB-CB 4.17Å; D70-F73 WeakPolarHBondContact O-CB 3.27Å; D70-F73 PolarHBondContact O-N 2.84Å; D70-N76 PolarHBondContact O-ND2 3.39Å
71	P	98.7	Very high	98.3	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-28.3	174.6	-26.4	36.5	0	0	0	112.3	I68 Q69 F73 N76 F207 F374	I68-P71 HydrophobicContact CD1-CG 4.12Å; Q69-P71 VanDerWaalsContact O-CD 3.28Å; Q69-P71 WeakPolarHBondContact O-CD 3.44Å; Q69-P71 VanDerWaalsContact O-N 3.16Å; P71-F73 VanDerWaalsContact C-N 3.29Å; P71-F73 PolarHBondContact O-N 2.89Å; P71-N76 VanDerWaalsContact O-CB 3.29Å; P71-N76 WeakPolarHBondContact O-CB 3.5Å; P71-F207 HydrophobicContact CB-CD1 4.44Å; P71-F207 HydrophobicContact CB-CE1 3.75Å; P71-F207 HydrophobicContact CB-CE2 4.31Å; P71-F207 HydrophobicContact CB-CZ 3.7Å; P71-F207 VanDerWaalsContact O-CZ 3.23Å; P71-F207 WeakPolarHBondContact O-CZ 3.49Å; P71-F374 HydrophobicContact CB-CE2 4.08Å; P71-F374 HydrophobicContact CB-CZ 4.06Å; P71-F374 HydrophobicContact CG-CE2 3.89Å; P71-F374 HydrophobicContact CG-CZ 4.08Å
72	Y	98.8	Very high	98.3	Very high	3 Å²	3	62.2 Å²	62.2	1%	0.012	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	3.5	177.4	-70.9	3.1	0	0	0	113.6	D70 P205 F207 H372 S373 V580 R596 I673 W674 F684	D70-Y72 PolarHBondContact O-N 2.77Å; D70-Y72 VanDerWaalsContact O-N 3.15Å; D70-Y72 PolarHBondContact OD1-N 2.93Å; Y72-P205 HydrophobicContact CE1-CG 4.25Å; Y72-F207 HydrophobicContact CD1-CD2 4.44Å; Y72-F207 AromaticContact CD1-CE2 3.7Å; Y72-F207 HydrophobicContact CD1-CE2 3.7Å; Y72-F207 HydrophobicContact CD1-CZ 4.38Å; Y72-F207 AromaticContact CE1-CD2 3.98Å; Y72-F207 HydrophobicContact CE1-CD2 3.98Å; Y72-F207 AromaticContact CE1-CE2 3.68Å; Y72-F207 HydrophobicContact CE1-CE2 3.68Å; Y72-H372 AromaticContact CE2-CE1 3.93Å; Y72-H372 AromaticContact CZ-CE1 3.77Å; Y72-H372 PolarHBondContact OH-ND1 3.28Å; Y72-S373 VanDerWaalsContact OH-CB 3.26Å; Y72-S373 WeakPolarHBondContact OH-CB 3.04Å; Y72-S373 PolarHBondContact OH-N 3Å; Y72-S373 PolarHBondContact OH-OG 2.78Å; Y72-V580 VanDerWaalsContact O-CB 3.25Å; Y72-V580 WeakPolarHBondContact O-CB 3.41Å; Y72-V580 VanDerWaalsContact O-CG1 3.29Å; Y72-V580 WeakPolarHBondContact O-CG1 3.23Å; Y72-R596 PolarHBondContact O-NH2 2.91Å; Y72-I673 WeakPolarHBondContact CE2-O 3.48Å; Y72-I673 PolarHBondContact OH-O 3.23Å; Y72-W674 HydrophobicContact CD1-CB 4.37Å; Y72-W674 HydrophobicContact CD2-CB 3.83Å; Y72-W674 HydrophobicContact CE1-CB 4.07Å; Y72-W674 HydrophobicContact CE2-CB 3.46Å; Y72-W674 VanDerWaalsContact CE2-CB 3.46Å; Y72-W674 HydrophobicContact CG-CB 4.26Å; Y72-F684 HydrophobicContact CD2-CE1 4.21Å; Y72-F684 HydrophobicContact CD2-CZ 4.09Å; Y72-F684 HydrophobicContact CE2-CD2 4.34Å; Y72-F684 HydrophobicContact CE2-CE1 4.19Å; Y72-F684 AromaticContact CE2-CE2 3.75Å; Y72-F684 HydrophobicContact CE2-CE2 3.75Å; Y72-F684 AromaticContact CE2-CZ 3.66Å; Y72-F684 HydrophobicContact CE2-CZ 3.66Å
73	F	98.8	Very high	98.3	Very high	52 Å²	52	62.2 Å²	62.2	23%	0.228	28%	0.277	C	S	.	.	S	Bend	trans	-81.4	125.2	176.5	-176.7	-99.5	0	0	0	111.6	D70 P71 F75 N76 V582	D70-F73 HydrophobicContact CB-CB 4.17Å; D70-F73 WeakPolarHBondContact O-CB 3.27Å; D70-F73 PolarHBondContact O-N 2.84Å; P71-F73 VanDerWaalsContact C-N 3.29Å; P71-F73 PolarHBondContact O-N 2.89Å; F73-F75 PolarHBondContact O-N 2.04Å; F73-F75 VanDerWaalsContact O-N 3.08Å; F73-N76 WeakPolarHBondContact O-CB 3.24Å; F73-N76 PolarHBondContact O-N 3.44Å; F73-N76 PolarHBondContact O-ND2 3.39Å; F73-N76 PolarHBondContact O-OD1 2.98Å; F73-V582 HydrophobicContact CE2-CG1 4.46Å; F73-V582 HydrophobicContact CZ-CG1 3.86Å
74	R	98.7	Very high	98.3	Very high	69 Å²	69	59.5 Å²	59.5	26%	0.26	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	47	-109.6	175.6	-60	-173.1	78.3	-154.7	6.5	114.4	V580 D585 F592 R596	R74-V580 WeakPolarHBondContact CG-O 3.35Å; R74-V580 PolarHBondContact N-O 2.9Å; R74-D585 WeakPolarHBondContact CD-OD2 3.32Å; R74-D585 IonicContact CZ-OD1 3.75Å; R74-D585 IonicContact CZ-OD2 2.57Å; R74-D585 IonicContact NE-OD1 3.36Å; R74-D585 PolarHBondContact NE-OD1 2.8Å; R74-D585 IonicContact NE-OD2 3.5Å; R74-D585 PolarHBondContact NE-OD2 2.94Å; R74-D585 IonicContact NH2-OD1 3.74Å; R74-D585 PolarHBondContact NH2-OD1 2.87Å; R74-D585 IonicContact NH2-OD2 3.33Å; R74-F592 HydrophobicContact CB-CD2 4.43Å; R74-F592 HydrophobicContact CG-CD2 4.46Å; R74-R596 PolarHBondContact O-NE 2.87Å; R74-R596 PolarHBondContact O-NH2 3.37Å
75	F	98.7	Very high	98.4	Very high	52 Å²	52	58.7 Å²	58.7	23%	0.228	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	19	-172.6	-51.7	-81.5	0	0	0	112.2	F73 D77 V78 M79 N591 F592 H595	F73-F75 PolarHBondContact O-N 2.04Å; F73-F75 VanDerWaalsContact O-N 3.08Å; F75-D77 WeakPolarHBondContact CA-OD1 3.18Å; F75-D77 PolarHBondContact O-N 2.83Å; F75-V78 PolarHBondContact O-N 3.39Å; F75-V78 VanDerWaalsContact O-N 3.08Å; F75-M79 WeakPolarHBondContact O-CG 3.26Å; F75-M79 PolarHBondContact O-N 3.09Å; F75-M79 VanDerWaalsContact O-N 3.12Å; F75-N591 HydrophobicContact CZ-CB 4.21Å; F75-F592 HydrophobicContact CZ-CB 4.11Å; F75-H595 HydrophobicContact CD1-CB 3.82Å; F75-H595 AromaticContact CD1-CD2 3.59Å; F75-H595 AromaticContact CD1-CG 3.42Å; F75-H595 VanDerWaalsContact CD1-CG 3.42Å; F75-H595 AromaticContact CD1-ND1 3.76Å; F75-H595 AromaticContact CD1-NE2 4Å; F75-H595 HydrophobicContact CE1-CB 3.53Å; F75-H595 AromaticContact CE1-CG 3.71Å
76	N	98.8	Very high	98.5	Very high	4 Å²	4	56.2 Å²	56.2	2%	0.021	26%	0.256	C	S	.	.	H	α-helix	trans	-67.8	-18.9	-172.4	-75.2	2.8	0	0	0	113.4	D70 P71 F73 V78 M79 Y80	D70-N76 PolarHBondContact O-ND2 3.39Å; P71-N76 VanDerWaalsContact O-CB 3.29Å; P71-N76 WeakPolarHBondContact O-CB 3.5Å; F73-N76 WeakPolarHBondContact O-CB 3.24Å; F73-N76 PolarHBondContact O-N 3.44Å; F73-N76 PolarHBondContact O-ND2 3.39Å; F73-N76 PolarHBondContact O-OD1 2.98Å; N76-V78 VanDerWaalsContact C-N 3.29Å; N76-V78 PolarHBondContact O-N 2.93Å; N76-M79 PolarHBondContact O-N 3.2Å; N76-M79 WeakPolarHBondContact OD1-CE 3.49Å; N76-Y80 HydrophobicContact CB-CD2 3.77Å; N76-Y80 HydrophobicContact CB-CE2 3.75Å; N76-Y80 VanDerWaalsContact O-CB 3.23Å; N76-Y80 WeakPolarHBondContact O-CB 3.45Å; N76-Y80 PolarHBondContact O-N 2.85Å
77	D	98.6	Very high	98.5	Very high	6 Å²	6	50.6 Å²	50.6	3%	0.032	23%	0.231	C	C	.	.	H	α-helix	trans	-55.2	-43.4	167.1	58.3	-52.5	0	0	0	112	F75 P205 F207 H595	F75-D77 WeakPolarHBondContact CA-OD1 3.18Å; F75-D77 PolarHBondContact O-N 2.83Å; D77-P205 HydrophobicContact CB-CB 4.43Å; D77-F207 VanDerWaalsContact CA-CZ 3.44Å; D77-F207 HydrophobicContact CB-CE1 4.12Å; D77-F207 HydrophobicContact CB-CE2 4.19Å; D77-F207 HydrophobicContact CB-CZ 3.62Å; D77-H595 IonicContact OD1-CD2 2.64Å; D77-H595 IonicContact OD1-CE1 3.29Å; D77-H595 IonicContact OD1-NE2 2.66Å; D77-H595 PolarHBondContact OD1-NE2 3.01Å; D77-H595 IonicContact OD2-CE1 3.25Å; D77-H595 PolarHBondContact OD2-CE1 2.02Å; D77-H595 IonicContact OD2-NE2 2.96Å; D77-H595 PolarHBondContact OD2-NE2 3.43Å
78	V	98.1	Very high	98.6	Very high	73 Å²	73	44.8 Å²	44.8	44%	0.442	21%	0.208	S	C	.	.	H	α-helix	trans	-81.6	-41.3	176.3	178.4	0	0	0	0	111.4	F75 N76 Y80 R81 K184	F75-V78 PolarHBondContact O-N 3.39Å; F75-V78 VanDerWaalsContact O-N 3.08Å; N76-V78 VanDerWaalsContact C-N 3.29Å; N76-V78 PolarHBondContact O-N 2.93Å; V78-Y80 VanDerWaalsContact C-N 3.29Å; V78-Y80 PolarHBondContact O-N 2.91Å; V78-R81 WeakPolarHBondContact O-CB 3.04Å; V78-R81 PolarHBondContact O-N 3.34Å; V78-K184 HydrophobicContact CG2-CB 4.43Å
79	M	98.2	Very high	98.6	Very high	108 Å²	108	45.9 Å²	45.9	53%	0.532	22%	0.216	S	C	.	.	H	α-helix	trans	-65.6	-31.8	-177.5	-59.7	-164.9	-23.5	0	0	113.1	F75 N76	F75-M79 WeakPolarHBondContact O-CG 3.26Å; F75-M79 PolarHBondContact O-N 3.09Å; F75-M79 VanDerWaalsContact O-N 3.12Å; N76-M79 PolarHBondContact O-N 3.2Å; N76-M79 WeakPolarHBondContact OD1-CE 3.49Å
80	Y	98.7	Very high	98.6	Very high	26 Å²	26	40.5 Å²	40.5	10%	0.102	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	12	-177.7	-62	-29	0	0	0	114.1	I68 Q69 N76 V78 W82 I83	I68-Y80 HydrophobicContact CB-CD2 4.26Å; I68-Y80 HydrophobicContact CB-CE1 4.07Å; I68-Y80 HydrophobicContact CB-CE2 3.67Å; I68-Y80 HydrophobicContact CD1-CD2 4.26Å; I68-Y80 HydrophobicContact CD1-CE2 4.35Å; I68-Y80 HydrophobicContact CG1-CE2 4.41Å; I68-Y80 HydrophobicContact CG2-CD1 4.15Å; I68-Y80 HydrophobicContact CG2-CE1 3.85Å; I68-Y80 HydrophobicContact CG2-CE2 4.23Å; I68-Y80 HydrophobicContact CG2-CG 4.48Å; Q69-Y80 PolarHBondContact N-OH 3.43Å; N76-Y80 HydrophobicContact CB-CD2 3.77Å; N76-Y80 HydrophobicContact CB-CE2 3.75Å; N76-Y80 VanDerWaalsContact O-CB 3.23Å; N76-Y80 WeakPolarHBondContact O-CB 3.45Å; N76-Y80 PolarHBondContact O-N 2.85Å; V78-Y80 VanDerWaalsContact C-N 3.29Å; V78-Y80 PolarHBondContact O-N 2.91Å; Y80-W82 AromaticContact CD1-NE1 3.82Å; Y80-W82 PolarHBondContact O-N 3.2Å; Y80-I83 HydrophobicContact CG-CD1 4.25Å; Y80-I83 WeakPolarHBondContact O-CB 3.25Å; Y80-I83 WeakPolarHBondContact O-CG1 3.19Å; Y80-I83 PolarHBondContact O-N 2.92Å
81	R	98.6	Very high	98.7	Very high	106 Å²	106	39.1 Å²	39.1	40%	0.4	19%	0.185	S	C	.	.	H	α-helix	trans	-51.7	-30.7	174	-166.9	175.8	-175.8	161.2	7.9	113.6	V78 I83 A84 L85 E186	V78-R81 WeakPolarHBondContact O-CB 3.04Å; V78-R81 PolarHBondContact O-N 3.34Å; R81-I83 PolarHBondContact O-N 2.87Å; R81-I83 VanDerWaalsContact O-N 3.15Å; R81-A84 PolarHBondContact O-N 3.1Å; R81-A84 VanDerWaalsContact O-N 3.15Å; R81-L85 HydrophobicContact CG-CD1 4.15Å; R81-L85 PolarHBondContact O-N 3.34Å; R81-E186 WeakPolarHBondContact CG-OE1 3.47Å; R81-E186 IonicContact CZ-OE1 3.68Å; R81-E186 VanDerWaalsContact CZ-OE1 3.29Å; R81-E186 IonicContact CZ-OE2 3.31Å; R81-E186 IonicContact NE-OE1 3.88Å; R81-E186 PolarHBondContact NE-OE1 2.98Å; R81-E186 IonicContact NE-OE2 3.13Å; R81-E186 IonicContact NH2-OE1 3.49Å; R81-E186 PolarHBondContact NH2-OE1 2.97Å; R81-E186 IonicContact NH2-OE2 3.39Å; R81-E186 PolarHBondContact NH2-OE2 2.86Å
82	W	98.5	Very high	98.7	Very high	103 Å²	103	40.1 Å²	40.1	39%	0.39	19%	0.19	S	C	.	.	H	α-helix	trans	-56.6	-28.6	176	69.7	-93.7	0	0	0	113.4	L48 L62 I68 Y80 L85 D86 W88	L48-W82 HydrophobicContact CD1-CH2 3.64Å; L48-W82 HydrophobicContact CD1-CZ3 3.88Å; L62-W82 HydrophobicContact CD1-CH2 4.28Å; I68-W82 HydrophobicContact CG2-CZ2 4.26Å; Y80-W82 AromaticContact CD1-NE1 3.82Å; Y80-W82 PolarHBondContact O-N 3.2Å; W82-L85 PolarHBondContact O-N 3.04Å; W82-D86 PolarHBondContact O-N 3.21Å; W82-D86 VanDerWaalsContact O-N 3.14Å; W82-W88 HydrophobicContact CH2-CH2 4.24Å; W82-W88 HydrophobicContact CH2-CZ2 4.29Å; W82-W88 AromaticContact CZ3-CH2 3.98Å; W82-W88 HydrophobicContact CZ3-CH2 3.98Å; W82-W88 AromaticContact CZ3-CZ2 3.73Å; W82-W88 HydrophobicContact CZ3-CZ2 3.73Å
83	I	98.8	Very high	98.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65	-45	179.4	-59.6	174.4	0	0	0	110.3	V58 H59 L62 I68 Y80 R81 L85 W88 M210	V58-I83 HydrophobicContact CB-CG2 4.36Å; V58-I83 HydrophobicContact CG1-CG2 3.44Å; V58-I83 VanDerWaalsContact CG1-CG2 3.44Å; H59-I83 VanDerWaalsContact CE1-CG2 3.45Å; H59-I83 WeakPolarHBondContact CE1-CG2 3.38Å; L62-I83 HydrophobicContact CD1-CD1 3.67Å; L62-I83 HydrophobicContact CD1-CG1 3.97Å; L62-I83 HydrophobicContact CD1-CG2 4.02Å; I68-I83 HydrophobicContact CD1-CD1 3.82Å; I68-I83 HydrophobicContact CG2-CD1 4.29Å; Y80-I83 HydrophobicContact CG-CD1 4.25Å; Y80-I83 WeakPolarHBondContact O-CB 3.25Å; Y80-I83 WeakPolarHBondContact O-CG1 3.19Å; Y80-I83 PolarHBondContact O-N 2.92Å; R81-I83 PolarHBondContact O-N 2.87Å; R81-I83 VanDerWaalsContact O-N 3.15Å; I83-L85 VanDerWaalsContact C-N 3.27Å; I83-L85 PolarHBondContact O-N 3.19Å; I83-W88 HydrophobicContact CG2-CZ2 4.02Å; I83-W88 PolarHBondContact O-NE1 2.92Å; I83-M210 VanDerWaalsContact O-CE 3.29Å; I83-M210 WeakPolarHBondContact O-CE 3.42Å
84	A	98.5	Very high	98.6	Very high	3 Å²	3	41.5 Å²	41.5	3%	0.025	20%	0.202	C	C	.	.	H	α-helix	trans	-72.8	-20.5	179.9	0	0	0	0	0	113	R81 S157 V159 P208	R81-A84 PolarHBondContact O-N 3.1Å; R81-A84 VanDerWaalsContact O-N 3.15Å; A84-S157 VanDerWaalsContact O-CB 3.29Å; A84-S157 WeakPolarHBondContact O-CB 3.27Å; A84-S157 PolarHBondContact O-OG 2.97Å; A84-V159 HydrophobicContact CB-CG2 4.33Å; A84-P208 HydrophobicContact CB-CB 4.14Å; A84-P208 HydrophobicContact CB-CG 4.36Å
85	L	98.7	Very high	98.5	Very high	68 Å²	68	42.6 Å²	42.6	36%	0.356	22%	0.217	S	C	.	.	H	α-helix	trans	-91.2	-14.7	179.6	-67.2	172.5	0	0	0	113.9	R81 W82 I83 V159 L160	R81-L85 HydrophobicContact CG-CD1 4.15Å; R81-L85 PolarHBondContact O-N 3.34Å; W82-L85 PolarHBondContact O-N 3.04Å; I83-L85 VanDerWaalsContact C-N 3.27Å; I83-L85 PolarHBondContact O-N 3.19Å; L85-V159 HydrophobicContact CD2-CB 4.05Å; L85-V159 HydrophobicContact CD2-CG1 3.85Å; L85-L160 HydrophobicContact CD2-CD2 4.17Å; L85-L160 HydrophobicContact CD2-CG 4.4Å; L85-L160 WeakPolarHBondContact O-CD1 3.16Å
86	D	98.8	Very high	98.2	Very high	28 Å²	28	40.1 Å²	40.1	15%	0.15	21%	0.206	C	C	.	.	S	Bend	trans	-89.4	160.3	176.1	-157.4	0.9	0	0	0	111.5	N43 S44 W82 M210	N43-D86 WeakPolarHBondContact CB-OD2 3.26Å; N43-D86 PolarHBondContact ND2-OD2 2.78Å; S44-D86 WeakPolarHBondContact CB-OD1 3.5Å; S44-D86 PolarHBondContact OG-OD1 3.45Å; W82-D86 PolarHBondContact O-N 3.21Å; W82-D86 VanDerWaalsContact O-N 3.14Å; D86-M210 WeakPolarHBondContact O-CE 3.37Å
87	N	98.8	Very high	98	Very high	58 Å²	58	41.7 Å²	41.7	31%	0.31	22%	0.217	S	C	.	.			trans	-93.4	144.2	169.6	-64.5	-21.8	0	0	0	109.5	N43 S44 F155 L156 S157	N43-N87 CarbonylContact C-O 3.57Å; N43-N87 WeakPolarHBondContact CA-O 3.33Å; S44-N87 PolarHBondContact N-O 3.44Å; N87-F155 WeakPolarHBondContact CB-O 3.45Å; N87-L156 WeakPolarHBondContact OD1-CA 3.26Å; N87-S157 PolarHBondContact OD1-N 3.44Å
88	W	98.9	Very high	97.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	142.2	-173.7	-66	84.8	0	0	0	111.5	L41 S42 N43 L48 V58 L62 W82 I83 F155 M210	L41-W88 HydrophobicContact CD1-CB 4.04Å; L41-W88 HydrophobicContact CD1-CD2 4.48Å; L41-W88 HydrophobicContact CD1-CE3 3.82Å; L41-W88 HydrophobicContact CD2-CE3 3.94Å; L41-W88 HydrophobicContact CD2-CZ3 4.12Å; L41-W88 HydrophobicContact CG-CE3 3.74Å; L41-W88 HydrophobicContact CG-CZ3 4.16Å; S42-W88 CarbonylContact O-C 3.6Å; S42-W88 WeakPolarHBondContact O-CA 3.21Å; N43-W88 HydrophobicContact CB-CD2 4.24Å; N43-W88 HydrophobicContact CB-CE3 3.84Å; N43-W88 HydrophobicContact CB-CH2 3.91Å; N43-W88 HydrophobicContact CB-CZ2 4.28Å; N43-W88 HydrophobicContact CB-CZ3 3.68Å; L48-W88 HydrophobicContact CB-CZ3 4.49Å; L48-W88 HydrophobicContact CD1-CH2 3.73Å; L48-W88 HydrophobicContact CD1-CZ3 4.29Å; V58-W88 HydrophobicContact CB-CD2 4.44Å; V58-W88 HydrophobicContact CG1-CD2 3.56Å; V58-W88 VanDerWaalsContact CG1-CE2 3.44Å; V58-W88 HydrophobicContact CG1-CE3 3.91Å; V58-W88 HydrophobicContact CG1-CG 4.09Å; V58-W88 HydrophobicContact CG1-CH2 3.98Å; V58-W88 HydrophobicContact CG1-CZ2 3.66Å; V58-W88 HydrophobicContact CG1-CZ3 4.1Å; V58-W88 HydrophobicContact CG2-CB 3.86Å; V58-W88 HydrophobicContact CG2-CD2 3.93Å; V58-W88 HydrophobicContact CG2-CE3 4.41Å; V58-W88 HydrophobicContact CG2-CG 3.67Å; L62-W88 HydrophobicContact CD1-CH2 3.74Å; L62-W88 HydrophobicContact CD1-CZ2 4.09Å; L62-W88 HydrophobicContact CD1-CZ3 4.5Å; L62-W88 HydrophobicContact CD2-CH2 3.98Å; L62-W88 HydrophobicContact CD2-CZ3 4.27Å; L62-W88 HydrophobicContact CG-CH2 4.28Å; W82-W88 HydrophobicContact CH2-CH2 4.24Å; W82-W88 HydrophobicContact CH2-CZ2 4.29Å; W82-W88 AromaticContact CZ3-CH2 3.98Å; W82-W88 HydrophobicContact CZ3-CH2 3.98Å; W82-W88 AromaticContact CZ3-CZ2 3.73Å; W82-W88 HydrophobicContact CZ3-CZ2 3.73Å; I83-W88 HydrophobicContact CG2-CZ2 4.02Å; I83-W88 PolarHBondContact O-NE1 2.92Å; W88-F155 PolarHBondContact N-O 3.08Å; W88-F155 WeakPolarHBondContact O-CB 3.39Å; W88-F155 PolarHBondContact O-N 2.7Å; W88-M210 HydrophobicContact CG-CE 4.38Å
89	T	98.9	Very high	97.4	Very high	36 Å²	36	47.3 Å²	47.3	22%	0.221	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	120.8	179.1	-58.7	0	0	0	0	110.9	L41 S42 E152 V153 A154	L41-T89 WeakPolarHBondContact CA-O 3.19Å; S42-T89 PolarHBondContact N-O 2.91Å; S42-T89 PolarHBondContact O-N 2.67Å; T89-E152 HydrophobicContact CG2-CB 4.46Å; T89-V153 WeakPolarHBondContact CA-O 3.31Å; T89-A154 HydrophobicContact CG2-CB 4.36Å
90	Y	98.9	Very high	97.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	127.7	168.6	-84.9	-102	0	0	0	109.5	W39 R40 L41 A52 V54 C57 V58 E152 V153 F155 L212	W39-Y90 HydrophobicContact CB-CD1 4.16Å; W39-Y90 HydrophobicContact CE3-CD1 4.32Å; R40-Y90 CarbonylContact O-C 3.53Å; R40-Y90 WeakPolarHBondContact O-CA 3.42Å; L41-Y90 HydrophobicContact CD1-CD2 3.65Å; L41-Y90 HydrophobicContact CD1-CE2 3.52Å; L41-Y90 HydrophobicContact CD1-CG 4.27Å; A52-Y90 HydrophobicContact CB-CD1 4.3Å; A52-Y90 HydrophobicContact CB-CE1 3.65Å; V54-Y90 HydrophobicContact CG2-CD1 3.92Å; V54-Y90 HydrophobicContact CG2-CE1 3.98Å; C57-Y90 WeakPolarHBondContact CA-OH 3.31Å; C57-Y90 PolarHBondContact O-OH 2.99Å; V58-Y90 HydrophobicContact CG2-CE2 4.12Å; V58-Y90 PolarHBondContact N-OH 3.24Å; Y90-E152 CarbonylContact O-C 3.48Å; Y90-E152 VanDerWaalsContact O-CA 3.32Å; Y90-E152 WeakPolarHBondContact O-CA 3.36Å; Y90-V153 PolarHBondContact N-O 3.34Å; Y90-V153 PolarHBondContact O-N 3.1Å; Y90-F155 HydrophobicContact CD2-CD2 4.03Å; Y90-F155 AromaticContact CD2-CE2 3.68Å; Y90-F155 HydrophobicContact CD2-CE2 3.68Å; Y90-F155 HydrophobicContact CE2-CE2 4.28Å; Y90-F155 HydrophobicContact CG-CE2 4.44Å; Y90-L212 HydrophobicContact CD1-CD1 4.36Å; Y90-L212 HydrophobicContact CG-CD1 4.38Å
91	T	98.8	Very high	96.7	Very high	27 Å²	27	44.4 Å²	44.4	17%	0.166	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	135.4	178.6	-52.7	0	0	0	0	110.5	R40 V150 L151 E152	R40-T91 PolarHBondContact N-O 3.43Å; R40-T91 PolarHBondContact O-N 3.09Å; T91-V150 HydrophobicContact CG2-CG1 3.96Å; T91-L151 CarbonylContact C-O 3.52Å; T91-L151 WeakPolarHBondContact CA-O 3.36Å; T91-E152 HydrophobicContact CG2-CG 3.82Å
92	T	98.5	Very high	96.5	Very high	20 Å²	20	44.7 Å²	44.7	12%	0.123	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	162.4	169.1	-164	0	0	0	0	111.2	K38 W39 L151	K38-T92 PolarHBondContact O-OG1 3.44Å; W39-T92 VanDerWaalsContact CD2-CB 3.46Å; W39-T92 HydrophobicContact CD2-CG2 3.68Å; W39-T92 VanDerWaalsContact CE2-CG2 3.48Å; W39-T92 HydrophobicContact CE3-CG2 3.78Å; W39-T92 HydrophobicContact CG-CG2 4.46Å; W39-T92 HydrophobicContact CH2-CG2 3.65Å; W39-T92 HydrophobicContact CZ2-CG2 3.48Å; W39-T92 VanDerWaalsContact CZ2-CG2 3.48Å; W39-T92 HydrophobicContact CZ3-CG2 3.77Å; T92-L151 HydrophobicContact CG2-CB 4.13Å; T92-L151 HydrophobicContact CG2-CD2 4.39Å; T92-L151 PolarHBondContact N-O 3.22Å; T92-L151 PolarHBondContact O-N 3.36Å
93	T	98.1	Very high	96.3	Very high	68 Å²	68	40.7 Å²	40.7	42%	0.417	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	143.9	172	70.8	0	0	0	0	110.9	E148 N149 V150	T93-E148 WeakPolarHBondContact CB-OE2 3.35Å; T93-E148 HydrophobicContact CG2-CG 4.11Å; T93-E148 WeakPolarHBondContact CG2-OE2 3.35Å; T93-E148 PolarHBondContact OG1-OE2 2.86Å; T93-N149 CarbonylContact C-O 3.5Å; T93-N149 WeakPolarHBondContact CA-O 3.35Å; T93-V150 HydrophobicContact CG2-CG1 4.49Å; T93-V150 HydrophobicContact CG2-CG2 4.03Å
94	F	97.5	Very high	96.1	Very high	17 Å²	17	45.3 Å²	45.3	8%	0.075	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	156.8	178.7	67.5	-87.1	0	0	0	111	L33 L35 A96 L121 L144 N149 L151 L218	L33-F94 HydrophobicContact CD2-CB 4.43Å; L33-F94 HydrophobicContact CD2-CD2 3.96Å; L35-F94 HydrophobicContact CD1-CD1 4.17Å; L35-F94 HydrophobicContact CD1-CE1 4.21Å; L35-F94 HydrophobicContact CD2-CB 3.73Å; L35-F94 HydrophobicContact CD2-CD1 4.02Å; L35-F94 HydrophobicContact CD2-CD2 4.28Å; L35-F94 HydrophobicContact CD2-CG 3.75Å; F94-A96 HydrophobicContact CE2-CB 4.44Å; F94-L121 HydrophobicContact CE1-CD1 3.93Å; F94-L121 HydrophobicContact CZ-CD1 3.93Å; F94-L144 HydrophobicContact CE2-CD2 4.04Å; F94-L144 HydrophobicContact CZ-CD2 4.13Å; F94-N149 HydrophobicContact CD1-CB 4.23Å; F94-N149 HydrophobicContact CD2-CB 4.22Å; F94-N149 HydrophobicContact CE1-CB 3.82Å; F94-N149 HydrophobicContact CE2-CB 3.81Å; F94-N149 HydrophobicContact CG-CB 4.42Å; F94-N149 HydrophobicContact CZ-CB 3.6Å; F94-N149 PolarHBondContact N-O 3.33Å; F94-N149 WeakPolarHBondContact O-CB 3.16Å; F94-N149 PolarHBondContact O-N 2.57Å; F94-L151 HydrophobicContact CE1-CB 4.11Å; F94-L218 HydrophobicContact CE2-CD2 3.86Å
95	T	96.6	Very high	95.9	Very high	91 Å²	91	47.2 Å²	47.2	56%	0.558	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.5	124.3	173.3	-60.4	0	0	0	0	109.6	G147	T95-G147 WeakPolarHBondContact CA-O 3.42Å
96	A	94.3	Very high	95.8	Very high	1 Å²	1	44 Å²	44	1%	0.008	24%	0.24	C	C	.	.			trans	-85.6	116.7	171.6	0	0	0	0	0	109.5	F94 I100 R101 L144 L218	F94-A96 HydrophobicContact CE2-CB 4.44Å; A96-I100 HydrophobicContact CB-CG2 4.31Å; A96-R101 HydrophobicContact CB-CG 3.92Å; A96-R101 PolarHBondContact O-NE 3.29Å; A96-L144 HydrophobicContact CB-CD1 4.37Å; A96-L144 HydrophobicContact CB-CD2 4.19Å; A96-L218 HydrophobicContact CB-CD2 4.41Å
97	S	93.5	Very high	95.8	Very high	37 Å²	37	42.9 Å²	42.9	26%	0.259	23%	0.234	S	C	.	.			trans	-60.2	154.7	-179.9	79.9	0	0	0	0	111.3	Q99 I100 R101	S97-Q99 PolarHBondContact O-N 2.85Å; S97-Q99 VanDerWaalsContact O-N 3.15Å; S97-Q99 PolarHBondContact OG-N 2.71Å; S97-Q99 PolarHBondContact OG-OE1 3.48Å; S97-I100 PolarHBondContact O-N 2.86Å; S97-I100 PolarHBondContact OG-N 3.5Å; S97-R101 PolarHBondContact O-N 3.35Å; S97-R101 VanDerWaalsContact O-N 3.12Å
98	P	92.1	Very high	95.8	Very high	79 Å²	79	40.2 Å²	40.2	51%	0.513	22%	0.22	S	C	.	.	H	α-helix	trans	-53.3	-35.6	174.5	-26.7	34.9	0	0	0	112.5	I100 R101 V102	P98-I100 VanDerWaalsContact C-N 3.33Å; P98-I100 PolarHBondContact O-N 3.01Å; P98-R101 PolarHBondContact O-N 2.93Å; P98-V102 WeakPolarHBondContact O-CG1 3.39Å; P98-V102 WeakPolarHBondContact O-CG2 3.34Å; P98-V102 PolarHBondContact O-N 3.12Å; P98-V102 VanDerWaalsContact O-N 3.14Å
99	Q	91.6	Very high	95.7	Very high	118 Å²	118	40.2 Å²	40.2	55%	0.551	22%	0.22	S	C	*	.	H	α-helix	trans	-65.7	-33	178.5	-54.7	91.8	-4.3	0	0	113.1	L31 S97 V102 K103	L31-Q99 HydrophobicContact CD1-CB 3.62Å; L31-Q99 WeakPolarHBondContact CD1-O 3.29Å; S97-Q99 PolarHBondContact O-N 2.85Å; S97-Q99 VanDerWaalsContact O-N 3.15Å; S97-Q99 PolarHBondContact OG-N 2.71Å; S97-Q99 PolarHBondContact OG-OE1 3.48Å; Q99-V102 WeakPolarHBondContact O-CG2 3.41Å; Q99-K103 WeakPolarHBondContact O-CG 3.32Å
100	I	91.8	Very high	95.7	Very high	11 Å²	11	38.5 Å²	38.5	6%	0.056	21%	0.209	C	C	.	.	H	α-helix	trans	-71.8	-45.4	174.7	-73.3	175.6	0	0	0	110.3	L31 L33 A96 S97 P98 V102 K103 L144 L218 A220	L31-I100 HydrophobicContact CB-CG1 3.89Å; L31-I100 HydrophobicContact CD1-CG1 3.87Å; L33-I100 HydrophobicContact CB-CD1 4.19Å; A96-I100 HydrophobicContact CB-CG2 4.31Å; S97-I100 PolarHBondContact O-N 2.86Å; S97-I100 PolarHBondContact OG-N 3.5Å; P98-I100 VanDerWaalsContact C-N 3.33Å; P98-I100 PolarHBondContact O-N 3.01Å; I100-V102 VanDerWaalsContact C-N 3.3Å; I100-V102 PolarHBondContact O-N 3.22Å; I100-K103 VanDerWaalsContact O-CB 3.31Å; I100-K103 WeakPolarHBondContact O-CB 3.29Å; I100-K103 WeakPolarHBondContact O-CG 3.41Å; I100-K103 PolarHBondContact O-N 3.37Å; I100-K103 VanDerWaalsContact O-N 3.14Å; I100-L144 HydrophobicContact CG2-CD1 4.25Å; I100-L218 HydrophobicContact CD1-CD2 4.49Å; I100-L218 HydrophobicContact CG2-CD2 3.79Å; I100-L218 HydrophobicContact CG2-CG 4.43Å; I100-A220 HydrophobicContact CB-CB 4.44Å; I100-A220 HydrophobicContact CG2-CB 3.82Å
101	R	90.9	Very high	95.7	Very high	62 Å²	62	41.1 Å²	41.1	23%	0.234	22%	0.223	C	C	.	.	H	α-helix	trans	-66.8	-28.9	-175	-70.4	-172.7	-70.9	138.4	-5.7	113.7	A96 S97 P98 K103 L144 D146	A96-R101 HydrophobicContact CB-CG 3.92Å; A96-R101 PolarHBondContact O-NE 3.29Å; S97-R101 PolarHBondContact O-N 3.35Å; S97-R101 VanDerWaalsContact O-N 3.12Å; P98-R101 PolarHBondContact O-N 2.93Å; R101-K103 VanDerWaalsContact C-N 3.3Å; R101-L144 HydrophobicContact CG-CB 4.29Å; R101-D146 IonicContact CZ-OD1 3.93Å; R101-D146 IonicContact CZ-OD2 3.24Å; R101-D146 IonicContact NH1-OD1 3.21Å; R101-D146 IonicContact NH1-OD2 3.21Å; R101-D146 PolarHBondContact NH1-OD2 3.34Å; R101-D146 IonicContact NH2-OD1 3.75Å; R101-D146 PolarHBondContact NH2-OD1 3.32Å; R101-D146 IonicContact NH2-OD2 2.69Å; R101-D146 PolarHBondContact NH2-OD2 2.84Å
102	V	93.3	Very high	95.7	Very high	112 Å²	112	39.9 Å²	39.9	68%	0.679	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-9.1	176.9	-60.8	0	0	0	0	113.5	P98 Q99 I100	P98-V102 WeakPolarHBondContact O-CG1 3.39Å; P98-V102 WeakPolarHBondContact O-CG2 3.34Å; P98-V102 PolarHBondContact O-N 3.12Å; P98-V102 VanDerWaalsContact O-N 3.14Å; Q99-V102 WeakPolarHBondContact O-CG2 3.41Å; I100-V102 VanDerWaalsContact C-N 3.3Å; I100-V102 PolarHBondContact O-N 3.22Å
103	K	94.4	Very high	95.7	Very high	18 Å²	18	38.9 Å²	38.9	8%	0.078	21%	0.21	C	C	.	.	S	Bend	trans	-63.2	148.9	176.4	-65.6	-60.1	-172.1	175.5	0	111.2	Q29 Q99 I100 R101 K105 A220 D222	Q29-K103 WeakPolarHBondContact O-CE 3.34Å; Q29-K103 PolarHBondContact O-NZ 3.15Å; Q99-K103 WeakPolarHBondContact O-CG 3.32Å; I100-K103 VanDerWaalsContact O-CB 3.31Å; I100-K103 WeakPolarHBondContact O-CB 3.29Å; I100-K103 WeakPolarHBondContact O-CG 3.41Å; I100-K103 PolarHBondContact O-N 3.37Å; I100-K103 VanDerWaalsContact O-N 3.14Å; R101-K103 VanDerWaalsContact C-N 3.3Å; K103-K105 VanDerWaalsContact C-N 3.3Å; K103-K105 PolarHBondContact O-N 2.81Å; K103-A220 HydrophobicContact CB-CB 3.86Å; K103-A220 HydrophobicContact CG-CB 3.72Å; K103-D222 VanDerWaalsContact CA-OD1 3.3Å; K103-D222 WeakPolarHBondContact CA-OD1 3.47Å; K103-D222 VanDerWaalsContact CD-CG 3.41Å; K103-D222 VanDerWaalsContact CD-OD1 3.27Å; K103-D222 WeakPolarHBondContact CD-OD1 3.25Å; K103-D222 WeakPolarHBondContact CD-OD2 3.17Å; K103-D222 WeakPolarHBondContact CE-OD2 3.43Å; K103-D222 IonicContact NZ-OD2 2.58Å; K103-D222 PolarHBondContact NZ-OD2 2.85Å
104	Q	94.7	Very high	95.7	Very high	98 Å²	98	36 Å²	36	46%	0.458	19%	0.192	S	C	.	.	S	Bend	trans	-67.7	-30.2	-179.5	-61	-163.7	-1.3	0	0	113.2	R141 F221 D222 V255	Q104-R141 WeakPolarHBondContact O-CD 3.35Å; Q104-F221 PolarHBondContact N-O 3.34Å; Q104-D222 HydrophobicContact CG-CB 4.46Å; Q104-D222 PolarHBondContact N-OD1 3.14Å; Q104-D222 VanDerWaalsContact N-OD1 3.07Å; Q104-D222 PolarHBondContact OE1-O 3.04Å; Q104-V255 HydrophobicContact CB-CG1 3.69Å; Q104-V255 HydrophobicContact CB-CG2 4.47Å; Q104-V255 VanDerWaalsContact OE1-CG1 3.28Å
105	K	95.6	Very high	95.8	Very high	42 Å²	42	35.2 Å²	35.2	18%	0.183	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	142.3	176.4	-169.7	162.1	172.8	176.3	0	110.6	K103 L107 A220 F221 D253 V255	K103-K105 VanDerWaalsContact C-N 3.3Å; K103-K105 PolarHBondContact O-N 2.81Å; K105-L107 HydrophobicContact CG-CD2 4.3Å; K105-A220 CarbonylContact O-C 3.54Å; K105-A220 VanDerWaalsContact O-CA 3.24Å; K105-A220 WeakPolarHBondContact O-CA 3.43Å; K105-F221 HydrophobicContact CB-CD2 4.43Å; K105-F221 HydrophobicContact CB-CE1 4.4Å; K105-F221 HydrophobicContact CB-CE2 4.1Å; K105-F221 HydrophobicContact CB-CZ 4.09Å; K105-F221 HydrophobicContact CD-CE1 4.44Å; K105-F221 HydrophobicContact CD-CE2 3.94Å; K105-F221 HydrophobicContact CD-CZ 3.62Å; K105-F221 HydrophobicContact CG-CE1 4.22Å; K105-F221 HydrophobicContact CG-CE2 4.29Å; K105-F221 HydrophobicContact CG-CZ 3.86Å; K105-F221 PolarHBondContact N-O 2.95Å; K105-F221 PolarHBondContact O-N 2.64Å; K105-D253 WeakPolarHBondContact CE-OD2 3.46Å; K105-D253 IonicContact NZ-OD1 3.52Å; K105-D253 PolarHBondContact NZ-OD1 2.99Å; K105-D253 IonicContact NZ-OD2 2.7Å; K105-D253 PolarHBondContact NZ-OD2 3.36Å; K105-V255 HydrophobicContact CB-CG2 3.79Å; K105-V255 HydrophobicContact CD-CG2 4.35Å
106	A	96.9	Very high	95.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	128.9	174	0	0	0	0	0	109.8	V140 R141 L144 L218 E219 A220	A106-V140 HydrophobicContact CB-CG2 4.31Å; A106-V140 PolarHBondContact O-N 3.16Å; A106-R141 HydrophobicContact CB-CB 4.11Å; A106-R141 HydrophobicContact CB-CG 4.47Å; A106-R141 PolarHBondContact O-N 3Å; A106-L144 HydrophobicContact CB-CD1 3.97Å; A106-L218 HydrophobicContact CB-CD1 4.39Å; A106-E219 CarbonylContact C-O 3.58Å; A106-E219 VanDerWaalsContact CA-O 3.26Å; A106-E219 WeakPolarHBondContact CA-O 3.42Å; A106-A220 HydrophobicContact CB-CB 4.04Å
107	L	97.6	Very high	96.1	Very high	5 Å²	5	31.7 Å²	31.7	3%	0.026	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	134.1	-177.5	-59.3	-174.3	0	0	0	110.8	K105 V109 D137 F138 L218 E219 F221	K105-L107 HydrophobicContact CG-CD2 4.3Å; L107-V109 HydrophobicContact CB-CG2 4.14Å; L107-D137 HydrophobicContact CD1-CB 4.44Å; L107-F138 CarbonylContact C-O 3.54Å; L107-F138 VanDerWaalsContact CA-O 3.25Å; L107-F138 WeakPolarHBondContact CA-O 3.25Å; L107-L218 CarbonylContact O-C 3.54Å; L107-L218 WeakPolarHBondContact O-CA 3.49Å; L107-E219 PolarHBondContact N-O 3.32Å; L107-E219 PolarHBondContact O-N 3.46Å; L107-F221 HydrophobicContact CD1-CE1 4.12Å; L107-F221 HydrophobicContact CD1-CZ 4.39Å; L107-F221 HydrophobicContact CG-CE1 4.2Å
108	L	98.3	Very high	96.4	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.01	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	117.2	162.7	-173.6	67.9	0	0	0	108.4	L35 F110 V119 L126 D137 F138 V140 L151 V216	L35-L108 HydrophobicContact CD1-CD1 3.57Å; L108-F110 HydrophobicContact CB-CE2 4.48Å; L108-F110 HydrophobicContact CD2-CE2 3.43Å; L108-F110 VanDerWaalsContact CD2-CE2 3.43Å; L108-F110 HydrophobicContact CD2-CZ 3.62Å; L108-F110 HydrophobicContact CG-CD2 4.31Å; L108-F110 HydrophobicContact CG-CE2 3.52Å; L108-F110 HydrophobicContact CG-CZ 3.99Å; L108-V119 HydrophobicContact CD2-CG1 4.38Å; L108-L126 HydrophobicContact CD2-CD1 3.98Å; L108-D137 WeakPolarHBondContact O-CA 3.35Å; L108-F138 PolarHBondContact N-O 2.82Å; L108-F138 PolarHBondContact O-N 3.15Å; L108-V140 HydrophobicContact CB-CG1 3.97Å; L108-V140 HydrophobicContact CB-CG2 4.31Å; L108-L151 HydrophobicContact CD1-CD2 3.9Å; L108-L151 HydrophobicContact CD2-CD1 3.45Å; L108-L151 VanDerWaalsContact CD2-CD1 3.45Å; L108-L151 HydrophobicContact CD2-CD2 3.72Å; L108-L151 HydrophobicContact CD2-CG 4.24Å; L108-L151 HydrophobicContact CG-CD2 4.41Å; L108-V216 HydrophobicContact CD1-CG1 4.07Å
109	V	98.4	Very high	96.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128.1	-174.1	179.1	0	0	0	0	109.8	L107 R135 D137 V216 R217 E219	L107-V109 HydrophobicContact CB-CG2 4.14Å; V109-R135 HydrophobicContact CG1-CG 4.34Å; V109-D137 VanDerWaalsContact CG1-OD1 3.29Å; V109-D137 WeakPolarHBondContact CG1-OD1 3.39Å; V109-D137 WeakPolarHBondContact CG2-OD1 3.41Å; V109-V216 WeakPolarHBondContact O-CA 3.49Å; V109-R217 HydrophobicContact CB-CG 3.87Å; V109-R217 HydrophobicContact CG1-CG 4.45Å; V109-R217 VanDerWaalsContact CG1-CZ 3.48Å; V109-R217 VanDerWaalsContact CG1-NH2 3.33Å; V109-R217 PolarHBondContact N-O 2.91Å; V109-R217 PolarHBondContact O-N 2.59Å; V109-E219 HydrophobicContact CG2-CG 4.27Å
110	F	98.7	Very high	97	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	115	173.2	-64.1	-97.2	0	0	0	108.8	L108 G112 V113 V119 R135 Y136 F138 L151 V153 L212 V216	L108-F110 HydrophobicContact CB-CE2 4.48Å; L108-F110 HydrophobicContact CD2-CE2 3.43Å; L108-F110 VanDerWaalsContact CD2-CE2 3.43Å; L108-F110 HydrophobicContact CD2-CZ 3.62Å; L108-F110 HydrophobicContact CG-CD2 4.31Å; L108-F110 HydrophobicContact CG-CE2 3.52Å; L108-F110 HydrophobicContact CG-CZ 3.99Å; F110-G112 PolarHBondContact O-N 2.82Å; F110-V113 HydrophobicContact CB-CG2 3.72Å; F110-V113 HydrophobicContact CD1-CG2 3.9Å; F110-V113 HydrophobicContact CG-CG2 4.03Å; F110-V119 HydrophobicContact CE2-CG1 3.86Å; F110-V119 HydrophobicContact CE2-CG2 4.47Å; F110-V119 HydrophobicContact CZ-CG1 3.73Å; F110-V119 HydrophobicContact CZ-CG2 4.39Å; F110-R135 VanDerWaalsContact O-CA 3.29Å; F110-R135 WeakPolarHBondContact O-CA 3.49Å; F110-R135 WeakPolarHBondContact O-CG 3.23Å; F110-Y136 PolarHBondContact N-O 2.91Å; F110-Y136 PolarHBondContact O-N 3.22Å; F110-F138 AromaticContact CD2-CD2 3.96Å; F110-F138 HydrophobicContact CD2-CD2 3.96Å; F110-F138 AromaticContact CD2-CE2 3.92Å; F110-F138 HydrophobicContact CD2-CE2 3.92Å; F110-F138 AromaticContact CE2-CD2 3.82Å; F110-F138 HydrophobicContact CE2-CD2 3.82Å; F110-F138 AromaticContact CE2-CE2 3.95Å; F110-F138 HydrophobicContact CE2-CE2 3.95Å; F110-L151 HydrophobicContact CZ-CD1 4.35Å; F110-L151 HydrophobicContact CZ-CD2 4.31Å; F110-V153 HydrophobicContact CE1-CG2 3.9Å; F110-V153 HydrophobicContact CZ-CG2 4.11Å; F110-L212 HydrophobicContact CD1-CD2 3.77Å; F110-L212 HydrophobicContact CE1-CD2 3.91Å; F110-V216 HydrophobicContact CD1-CB 4.32Å; F110-V216 HydrophobicContact CD1-CG1 3.89Å; F110-V216 HydrophobicContact CD1-CG2 3.53Å; F110-V216 HydrophobicContact CE1-CB 4.39Å; F110-V216 HydrophobicContact CE1-CG1 3.65Å; F110-V216 HydrophobicContact CE1-CG2 3.76Å; F110-V216 HydrophobicContact CG-CG1 4.44Å; F110-V216 HydrophobicContact CG-CG2 4.47Å; F110-V216 HydrophobicContact CZ-CG1 4.04Å
111	D	98.2	Very high	97.4	Very high	55 Å²	55	22.5 Å²	22.5	29%	0.294	12%	0.119	S	C	.	.	S	Bend	trans	-73.8	-15.8	-180	-69.1	-30.1	0	0	0	113.2	K214 G215 R217	D111-K214 HydrophobicContact CB-CB 3.64Å; D111-K214 HydrophobicContact CB-CD 4.17Å; D111-K214 WeakPolarHBondContact O-CD 3.3Å; D111-G215 PolarHBondContact N-O 3.41Å; D111-R217 IonicContact OD1-CZ 3.36Å; D111-R217 VanDerWaalsContact OD1-CZ 3.25Å; D111-R217 IonicContact OD1-NH1 3.21Å; D111-R217 PolarHBondContact OD1-NH1 2.85Å; D111-R217 IonicContact OD1-NH2 2.81Å; D111-R217 PolarHBondContact OD1-NH2 2.75Å; D111-R217 IonicContact OD2-CZ 3.83Å; D111-R217 IonicContact OD2-NH1 2.78Å; D111-R217 PolarHBondContact OD2-NH1 2.98Å; D111-R217 IonicContact OD2-NH2 3.76Å
112	G	98.3	Very high	97.7	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.01	11%	0.113	C	C	.	.			trans	179.9	127.9	-179.2	0	0	0	0	0	111.6	F110 K214	F110-G112 PolarHBondContact O-N 2.82Å; G112-K214 PolarHBondContact O-N 2.9Å
113	V	98.9	Very high	97.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.114	C	C	.	.			trans	-125.7	122.5	-179.8	-178.7	0	0	0	0	107.4	F110 T115 A117 T129 M132 Y136 F155 L212	F110-V113 HydrophobicContact CB-CG2 3.72Å; F110-V113 HydrophobicContact CD1-CG2 3.9Å; F110-V113 HydrophobicContact CG-CG2 4.03Å; V113-T115 WeakPolarHBondContact O-CA 3.4Å; V113-A117 HydrophobicContact CG1-CB 4.11Å; V113-T129 HydrophobicContact CB-CG2 4.19Å; V113-T129 HydrophobicContact CG1-CG2 4.21Å; V113-T129 WeakPolarHBondContact CG1-OG1 3.37Å; V113-T129 HydrophobicContact CG2-CG2 4.18Å; V113-M132 WeakPolarHBondContact O-CA 3.12Å; V113-Y136 HydrophobicContact CG2-CD2 4.46Å; V113-F155 HydrophobicContact CG1-CE1 3.47Å; V113-F155 VanDerWaalsContact CG1-CE1 3.47Å; V113-F155 HydrophobicContact CG1-CZ 3.75Å; V113-L212 HydrophobicContact CG1-CD2 4.32Å; V113-L212 HydrophobicContact CG2-CD2 4Å
114	D	98.8	Very high	98	Very high	6 Å²	6	21.7 Å²	21.7	3%	0.032	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-107.7	100.3	-178.3	-177.8	0.3	0	0	0	110.4	M132 F155 K194 M210 G211 W213	D114-M132 HydrophobicContact CB-CG 4.09Å; D114-F155 VanDerWaalsContact O-CD1 3.29Å; D114-F155 WeakPolarHBondContact O-CD1 3.41Å; D114-F155 WeakPolarHBondContact O-CE1 3.35Å; D114-K194 IonicContact OD1-NZ 3.52Å; D114-K194 PolarHBondContact OD1-NZ 3.11Å; D114-K194 IonicContact OD2-NZ 3.68Å; D114-K194 PolarHBondContact OD2-NZ 2.91Å; D114-M210 CarbonylContact O-C 3.56Å; D114-M210 VanDerWaalsContact O-CA 3.24Å; D114-M210 WeakPolarHBondContact O-CA 3.47Å; D114-G211 PolarHBondContact N-O 2.93Å; D114-G211 PolarHBondContact O-N 3.49Å; D114-W213 HydrophobicContact CB-CB 4.38Å; D114-W213 HydrophobicContact CB-CG 4.33Å
115	T	98.8	Very high	98.2	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.012	14%	0.136	C	C	.	.	S	Bend	cis	-131.5	-59.4	-7.7	-68.8	0	0	0	0	109.8	V113 T129 D130 M132 I192	V113-T115 WeakPolarHBondContact O-CA 3.4Å; T115-T129 CarbonylContact O-C 3.57Å; T115-T129 PolarHBondContact O-OG1 2.92Å; T115-D130 WeakPolarHBondContact CG2-O 3.44Å; T115-M132 HydrophobicContact CG2-CB 4.48Å; T115-I192 HydrophobicContact CG2-CD1 4.03Å; T115-I192 HydrophobicContact CG2-CG1 3.99Å
116	V	98.9	Very high	98.3	Very high	13 Å²	13	21.1 Å²	21.1	8%	0.079	14%	0.136	C	C	.	.			trans	-92.4	114.3	-176.5	-173.7	0	0	0	0	109.6	T129 F155 L156 Y161 I192	V116-T129 VanDerWaalsContact CA-O 3.32Å; V116-T129 WeakPolarHBondContact CA-O 3.48Å; V116-F155 WeakPolarHBondContact O-CA 3.24Å; V116-L156 HydrophobicContact CB-CB 4.43Å; V116-L156 HydrophobicContact CG1-CB 4.27Å; V116-L156 HydrophobicContact CG1-CD1 4Å; V116-L156 HydrophobicContact CG1-CG 4.4Å; V116-L156 PolarHBondContact O-N 3.36Å; V116-Y161 HydrophobicContact CB-CD2 4.37Å; V116-Y161 HydrophobicContact CB-CG 4.45Å; V116-Y161 HydrophobicContact CG1-CD2 3.86Å; V116-Y161 HydrophobicContact CG1-CE2 3.92Å; V116-Y161 HydrophobicContact CG1-CG 4.43Å; V116-Y161 HydrophobicContact CG2-CD1 3.67Å; V116-Y161 HydrophobicContact CG2-CD2 3.95Å; V116-Y161 HydrophobicContact CG2-CE1 3.74Å; V116-Y161 HydrophobicContact CG2-CE2 4.02Å; V116-Y161 HydrophobicContact CG2-CG 3.76Å; V116-I192 HydrophobicContact CG2-CD1 4.11Å
117	A	98.8	Very high	98.4	Very high	4 Å²	4	22.1 Å²	22.1	3%	0.033	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	157.1	-178.3	0	0	0	0	0	113.3	V113 K128 T129 V153 A154 F155	V113-A117 HydrophobicContact CG1-CB 4.11Å; A117-K128 CarbonylContact O-C 3.57Å; A117-K128 WeakPolarHBondContact O-CA 3.48Å; A117-T129 WeakPolarHBondContact CB-OG1 3.25Å; A117-T129 PolarHBondContact N-O 3.21Å; A117-T129 PolarHBondContact N-OG1 2.78Å; A117-T129 VanDerWaalsContact N-OG1 3.13Å; A117-T129 PolarHBondContact O-N 2.98Å; A117-V153 HydrophobicContact CB-CG1 3.7Å; A117-A154 CarbonylContact C-O 3.48Å; A117-A154 WeakPolarHBondContact CA-O 3.46Å; A117-F155 HydrophobicContact CB-CD1 3.75Å; A117-F155 HydrophobicContact CB-CE1 3.91Å; A117-F155 HydrophobicContact CB-CG 4.08Å; A117-F155 HydrophobicContact CB-CZ 4.37Å
118	S	98.8	Very high	98.4	Very high	35 Å²	35	29.8 Å²	29.8	25%	0.245	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	128.9	164.4	-176.8	0	0	0	0	109.2	V153 A154	S118-V153 WeakPolarHBondContact O-CA 3.07Å; S118-A154 PolarHBondContact N-O 2.75Å; S118-A154 PolarHBondContact O-N 2.87Å
119	V	98.8	Very high	98.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	128.1	179.7	-175.1	0	0	0	0	109.2	L108 F110 L126 G127 F138 L151 E152 V153	L108-V119 HydrophobicContact CD2-CG1 4.38Å; F110-V119 HydrophobicContact CE2-CG1 3.86Å; F110-V119 HydrophobicContact CE2-CG2 4.47Å; F110-V119 HydrophobicContact CZ-CG1 3.73Å; F110-V119 HydrophobicContact CZ-CG2 4.39Å; V119-L126 HydrophobicContact CG1-CD1 4.06Å; V119-L126 PolarHBondContact O-N 2.79Å; V119-G127 PolarHBondContact N-O 2.84Å; V119-F138 HydrophobicContact CB-CE2 4.19Å; V119-F138 HydrophobicContact CB-CZ 4.43Å; V119-F138 HydrophobicContact CG1-CD2 4.46Å; V119-F138 HydrophobicContact CG1-CE2 4.34Å; V119-F138 HydrophobicContact CG2-CE2 3.96Å; V119-F138 HydrophobicContact CG2-CZ 4.24Å; V119-L151 HydrophobicContact CG1-CD1 3.94Å; V119-E152 WeakPolarHBondContact CA-O 3.4Å; V119-V153 HydrophobicContact CG1-CG2 4.42Å; V119-V153 HydrophobicContact CG2-CG1 4.35Å; V119-V153 HydrophobicContact CG2-CG2 4.44Å
120	S	98.8	Very high	98.5	Very high	16 Å²	16	32.1 Å²	32.1	11%	0.112	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	143.4	176	49.2	0	0	0	0	112.2	I124 L151 E152	S120-I124 CarbonylContact C-O 3.49Å; S120-I124 WeakPolarHBondContact CA-O 3.29Å; S120-I124 WeakPolarHBondContact CB-O 3.35Å; S120-L151 WeakPolarHBondContact O-CD1 3.17Å; S120-E152 PolarHBondContact N-O 2.84Å; S120-E152 PolarHBondContact O-N 2.94Å; S120-E152 WeakPolarHBondContact OG-CB 3.32Å
121	L	98.8	Very high	98.5	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	126.8	173.2	179	69.7	0	0	0	108.4	F94 G123 I124 L126 V140 L143 L144 N149 V150 L151	F94-L121 HydrophobicContact CE1-CD1 3.93Å; F94-L121 HydrophobicContact CZ-CD1 3.93Å; L121-G123 PolarHBondContact O-N 3.03Å; L121-I124 PolarHBondContact N-O 2.93Å; L121-I124 PolarHBondContact O-N 3.2Å; L121-L126 HydrophobicContact CB-CD1 3.95Å; L121-L126 HydrophobicContact CB-CD2 4.11Å; L121-L126 HydrophobicContact CB-CG 4.16Å; L121-V140 HydrophobicContact CD2-CB 3.7Å; L121-V140 HydrophobicContact CD2-CG1 3.75Å; L121-L143 HydrophobicContact CD2-CB 4.02Å; L121-L144 HydrophobicContact CD2-CD2 4.31Å; L121-N149 HydrophobicContact CD1-CB 4.25Å; L121-V150 CarbonylContact C-O 3.59Å; L121-V150 WeakPolarHBondContact CA-O 3.46Å; L121-L151 HydrophobicContact CD1-CB 4.37Å
122	N	98	Very high	98.5	Very high	22 Å²	22	29.6 Å²	29.6	12%	0.118	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	33.1	176.6	-67.7	-34.9	0	0	0	113.7	I124 L143 K145 N149 V150	N122-I124 VanDerWaalsContact C-N 3.33Å; N122-L143 PolarHBondContact ND2-O 3.12Å; N122-K145 HydrophobicContact CB-CD 4.33Å; N122-N149 PolarHBondContact ND2-OD1 2.98Å; N122-N149 WeakPolarHBondContact OD1-CA 3.4Å; N122-V150 PolarHBondContact N-O 3.09Å; N122-V150 PolarHBondContact OD1-N 3.27Å
123	G	96.8	Very high	98.5	Very high	67 Å²	67	29.6 Å²	29.6	69%	0.691	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.5	1.9	-177.1	0	0	0	0	0	114.9	L121	L121-G123 PolarHBondContact O-N 3.03Å
124	I	98.2	Very high	98.5	Very high	87 Å²	87	30.9 Å²	30.9	45%	0.446	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	124	179.3	-61.7	169.2	0	0	0	109	S120 L121 N122 L126 L143	S120-I124 CarbonylContact C-O 3.49Å; S120-I124 WeakPolarHBondContact CA-O 3.29Å; S120-I124 WeakPolarHBondContact CB-O 3.35Å; L121-I124 PolarHBondContact N-O 2.93Å; L121-I124 PolarHBondContact O-N 3.2Å; N122-I124 VanDerWaalsContact C-N 3.33Å; I124-L126 PolarHBondContact O-N 3.43Å; I124-L143 HydrophobicContact CD1-CD2 3.71Å; I124-L143 HydrophobicContact CG2-CD1 4.29Å; I124-L143 HydrophobicContact CG2-CD2 4.49Å
125	V	98.4	Very high	98.4	Very high	92 Å²	92	32.7 Å²	32.7	56%	0.558	19%	0.19	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	121.9	176.7	178.9	0	0	0	0	109.7
126	L	98.3	Very high	98.4	Very high	36 Å²	36	33.4 Å²	33.4	19%	0.188	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	-36	177.4	-57.6	-175.6	0	0	0	111.9	L108 V119 L121 I124 F138 V140 L143	L108-L126 HydrophobicContact CD2-CD1 3.98Å; V119-L126 HydrophobicContact CG1-CD1 4.06Å; V119-L126 PolarHBondContact O-N 2.79Å; L121-L126 HydrophobicContact CB-CD1 3.95Å; L121-L126 HydrophobicContact CB-CD2 4.11Å; L121-L126 HydrophobicContact CB-CG 4.16Å; I124-L126 PolarHBondContact O-N 3.43Å; L126-F138 HydrophobicContact CB-CB 4.07Å; L126-F138 HydrophobicContact CB-CD1 3.8Å; L126-F138 HydrophobicContact CB-CE1 4.42Å; L126-F138 HydrophobicContact CB-CG 3.89Å; L126-F138 HydrophobicContact CD1-CB 3.86Å; L126-F138 HydrophobicContact CD1-CG 4.23Å; L126-V140 HydrophobicContact CD1-CG1 3.62Å; L126-V140 HydrophobicContact CD2-CG1 4.01Å; L126-V140 HydrophobicContact CG-CG1 4.49Å; L126-L143 HydrophobicContact CD2-CD1 3.35Å
127	G	98	Very high	98.3	Very high	21 Å²	21	34.5 Å²	34.5	22%	0.216	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.3	-168.1	-179.5	0	0	0	0	0	112.6	V119	V119-G127 PolarHBondContact N-O 2.84Å
128	K	98.3	Very high	98.3	Very high	165 Å²	165	35.5 Å²	35.5	72%	0.717	20%	0.201	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-125.8	155.4	-178	-62.7	-178.3	179	-176.7	0	111.3	A117	A117-K128 CarbonylContact O-C 3.57Å; A117-K128 WeakPolarHBondContact O-CA 3.48Å
129	T	98.7	Very high	98.2	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.018	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	153.6	170.7	66.4	0	0	0	0	109.8	V113 T115 V116 A117 Y136	V113-T129 HydrophobicContact CB-CG2 4.19Å; V113-T129 HydrophobicContact CG1-CG2 4.21Å; V113-T129 WeakPolarHBondContact CG1-OG1 3.37Å; V113-T129 HydrophobicContact CG2-CG2 4.18Å; T115-T129 CarbonylContact O-C 3.57Å; T115-T129 PolarHBondContact O-OG1 2.92Å; V116-T129 VanDerWaalsContact CA-O 3.32Å; V116-T129 WeakPolarHBondContact CA-O 3.48Å; A117-T129 WeakPolarHBondContact CB-OG1 3.25Å; A117-T129 PolarHBondContact N-O 3.21Å; A117-T129 PolarHBondContact N-OG1 2.78Å; A117-T129 VanDerWaalsContact N-OG1 3.13Å; A117-T129 PolarHBondContact O-N 2.98Å; T129-Y136 HydrophobicContact CG2-CD1 3.92Å; T129-Y136 HydrophobicContact CG2-CD2 3.69Å; T129-Y136 HydrophobicContact CG2-CE1 3.97Å; T129-Y136 HydrophobicContact CG2-CE2 3.74Å; T129-Y136 HydrophobicContact CG2-CG 3.77Å
130	D	98.6	Very high	98.1	Very high	49 Å²	49	37.5 Å²	37.5	26%	0.262	22%	0.215	S	C	.	.			trans	-148.5	2.9	-175.3	64.3	-5.2	0	0	0	113.8	T115 R134 Y136 T442	T115-D130 WeakPolarHBondContact CG2-O 3.44Å; D130-R134 IonicContact OD1-NH1 3.9Å; D130-R134 PolarHBondContact OD1-NH1 3.13Å; D130-Y136 PolarHBondContact N-OH 3.05Å; D130-Y136 PolarHBondContact OD1-OH 2.82Å; D130-Y136 VanDerWaalsContact OD1-OH 3.05Å; D130-T442 PolarHBondContact OD1-OG1 3.48Å
131	N	98.9	Very high	97.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-147.5	120.3	-172.1	-171.6	-36.1	0	0	0	111	F133 R134 Y136 R193 T442 E446	N131-F133 PolarHBondContact O-N 3.2Å; N131-F133 WeakPolarHBondContact OD1-CB 3.16Å; N131-F133 PolarHBondContact OD1-N 3.01Å; N131-R134 HydrophobicContact CB-CB 4.41Å; N131-R134 HydrophobicContact CB-CG 4.06Å; N131-R134 PolarHBondContact O-N 3.32Å; N131-Y136 PolarHBondContact N-OH 2.88Å; N131-Y136 VanDerWaalsContact N-OH 3.15Å; N131-Y136 PolarHBondContact O-OH 3.2Å; N131-R193 WeakPolarHBondContact CA-O 3.5Å; N131-R193 HydrophobicContact CB-CB 3.91Å; N131-R193 WeakPolarHBondContact ND2-CB 3.38Å; N131-T442 WeakPolarHBondContact CB-OG1 3.44Å; N131-T442 PolarHBondContact ND2-O 2.95Å; N131-T442 PolarHBondContact ND2-OG1 2.78Å; N131-E446 PolarHBondContact ND2-OE2 2.91Å; N131-E446 PolarHBondContact OD1-OE2 3.18Å
132	M	98.9	Very high	97.7	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.005	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-32.1	-178.8	-174.4	179.8	174.1	0	0	112.7	V113 D114 T115 R134 R193 K194 E195 W213 Q375 V405	V113-M132 WeakPolarHBondContact O-CA 3.12Å; D114-M132 HydrophobicContact CB-CG 4.09Å; T115-M132 HydrophobicContact CG2-CB 4.48Å; M132-R134 VanDerWaalsContact C-N 3.32Å; M132-R134 PolarHBondContact O-N 3.49Å; M132-R193 WeakPolarHBondContact CB-O 3.24Å; M132-R193 PolarHBondContact N-O 3.32Å; M132-K194 HydrophobicContact SD-CG 4.03Å; M132-E195 HydrophobicContact SD-CB 4.14Å; M132-W213 HydrophobicContact CE-CD2 3.79Å; M132-W213 HydrophobicContact CE-CE3 3.92Å; M132-W213 HydrophobicContact CE-CG 4.26Å; M132-W213 HydrophobicContact CE-CH2 4.24Å; M132-W213 HydrophobicContact CE-CZ2 4.15Å; M132-W213 HydrophobicContact CE-CZ3 4.13Å; M132-W213 HydrophobicContact CG-CZ2 4.11Å; M132-W213 WeakPolarHBondContact O-CZ2 3.46Å; M132-W213 PolarHBondContact O-NE1 3.03Å; M132-Q375 HydrophobicContact CE-CG 4.43Å; M132-V405 HydrophobicContact CE-CG1 3.93Å
133	F	98.8	Very high	97.7	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.009	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	12.1	-167.2	-53.4	-53	0	0	0	113.3	N131 V405 Y406 M427 E446 Q450	N131-F133 PolarHBondContact O-N 3.2Å; N131-F133 WeakPolarHBondContact OD1-CB 3.16Å; N131-F133 PolarHBondContact OD1-N 3.01Å; F133-V405 HydrophobicContact CE1-CB 4Å; F133-V405 HydrophobicContact CE1-CG1 3.98Å; F133-Y406 HydrophobicContact CB-CD2 3.74Å; F133-Y406 HydrophobicContact CB-CE2 3.69Å; F133-Y406 AromaticContact CD1-CD2 3.68Å; F133-Y406 HydrophobicContact CD1-CD2 3.68Å; F133-Y406 HydrophobicContact CD1-CE2 4.08Å; F133-Y406 HydrophobicContact CD2-CD2 4.35Å; F133-Y406 AromaticContact CD2-CE2 3.91Å; F133-Y406 HydrophobicContact CD2-CE2 3.91Å; F133-Y406 HydrophobicContact CE1-CD2 4.35Å; F133-Y406 AromaticContact CG-CD2 3.66Å; F133-Y406 HydrophobicContact CG-CD2 3.66Å; F133-Y406 AromaticContact CG-CE2 3.62Å; F133-Y406 HydrophobicContact CG-CE2 3.62Å; F133-M427 HydrophobicContact CD2-CB 4.22Å; F133-M427 HydrophobicContact CD2-CG 4.47Å; F133-M427 HydrophobicContact CE1-CG 4.17Å; F133-M427 HydrophobicContact CE2-CB 3.58Å; F133-M427 HydrophobicContact CE2-CG 4Å; F133-M427 HydrophobicContact CZ-CB 3.79Å; F133-M427 HydrophobicContact CZ-CG 3.81Å; F133-E446 HydrophobicContact CB-CG 3.76Å; F133-E446 WeakPolarHBondContact CD2-OE1 3.23Å; F133-Q450 PolarHBondContact O-NE2 2.98Å
134	R	97.4	Very high	97.7	Very high	27 Å²	27	46.3 Å²	46.3	10%	0.102	24%	0.237	C	C	.	.			trans	-113.4	146.5	-178.7	-73	179.6	48.5	-152.3	-2.8	112.4	D130 N131 M132 Y136 T442 E445 E446	D130-R134 IonicContact OD1-NH1 3.9Å; D130-R134 PolarHBondContact OD1-NH1 3.13Å; N131-R134 HydrophobicContact CB-CB 4.41Å; N131-R134 HydrophobicContact CB-CG 4.06Å; N131-R134 PolarHBondContact O-N 3.32Å; M132-R134 VanDerWaalsContact C-N 3.32Å; M132-R134 PolarHBondContact O-N 3.49Å; R134-Y136 HydrophobicContact CB-CD2 4.35Å; R134-Y136 HydrophobicContact CB-CE2 3.69Å; R134-Y136 PolarHBondContact NH1-OH 3.46Å; R134-T442 PolarHBondContact NH1-OG1 2.66Å; R134-E445 IonicContact CZ-OE2 3.2Å; R134-E445 IonicContact NE-OE2 3.86Å; R134-E445 IonicContact NH1-OE2 3.68Å; R134-E445 PolarHBondContact NH1-OE2 3.42Å; R134-E445 IonicContact NH2-OE2 3.67Å; R134-E445 PolarHBondContact NH2-OE2 2.98Å; R134-E446 HydrophobicContact CG-CB 4Å
135	R	97.5	Very high	97.5	Very high	44 Å²	44	47.3 Å²	47.3	17%	0.166	24%	0.238	C	C	.	.			trans	-84.6	140.1	159.9	172.8	179.3	165.5	179.9	-3.9	109.8	V109 F110 D137 V227 Q449	V109-R135 HydrophobicContact CG1-CG 4.34Å; F110-R135 VanDerWaalsContact O-CA 3.29Å; F110-R135 WeakPolarHBondContact O-CA 3.49Å; F110-R135 WeakPolarHBondContact O-CG 3.23Å; R135-D137 IonicContact CZ-OD1 2.75Å; R135-D137 IonicContact CZ-OD2 2.86Å; R135-D137 IonicContact NE-OD1 3.38Å; R135-D137 PolarHBondContact NE-OD1 3.42Å; R135-D137 IonicContact NE-OD2 3.45Å; R135-D137 IonicContact NH2-OD1 3.88Å; R135-D137 PolarHBondContact NH2-OD1 3.07Å; R135-D137 IonicContact NH2-OD2 3.76Å; R135-D137 PolarHBondContact NH2-OD2 2.91Å; R135-V227 PolarHBondContact NH1-O 3.15Å; R135-V227 VanDerWaalsContact NH1-O 3.12Å; R135-Q449 PolarHBondContact O-NE2 3.33Å
136	Y	98.4	Very high	97.1	Very high	16 Å²	16	48.6 Å²	48.6	6%	0.063	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	132.6	176.5	-63.1	-92.5	0	0	0	110.7	F110 V113 T129 D130 N131 R134	F110-Y136 PolarHBondContact N-O 2.91Å; F110-Y136 PolarHBondContact O-N 3.22Å; V113-Y136 HydrophobicContact CG2-CD2 4.46Å; T129-Y136 HydrophobicContact CG2-CD1 3.92Å; T129-Y136 HydrophobicContact CG2-CD2 3.69Å; T129-Y136 HydrophobicContact CG2-CE1 3.97Å; T129-Y136 HydrophobicContact CG2-CE2 3.74Å; T129-Y136 HydrophobicContact CG2-CG 3.77Å; D130-Y136 PolarHBondContact N-OH 3.05Å; D130-Y136 PolarHBondContact OD1-OH 2.82Å; D130-Y136 VanDerWaalsContact OD1-OH 3.05Å; N131-Y136 PolarHBondContact N-OH 2.88Å; N131-Y136 VanDerWaalsContact N-OH 3.15Å; N131-Y136 PolarHBondContact O-OH 3.2Å; R134-Y136 HydrophobicContact CB-CD2 4.35Å; R134-Y136 HydrophobicContact CB-CE2 3.69Å; R134-Y136 PolarHBondContact NH1-OH 3.46Å
137	D	97.3	Very high	96.7	Very high	36 Å²	36	48.2 Å²	48.2	19%	0.193	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	122.2	177.7	-61.4	-23.2	0	0	0	109.8	L107 L108 V109 R135 K283	L107-D137 HydrophobicContact CD1-CB 4.44Å; L108-D137 WeakPolarHBondContact O-CA 3.35Å; V109-D137 VanDerWaalsContact CG1-OD1 3.29Å; V109-D137 WeakPolarHBondContact CG1-OD1 3.39Å; V109-D137 WeakPolarHBondContact CG2-OD1 3.41Å; R135-D137 IonicContact CZ-OD1 2.75Å; R135-D137 IonicContact CZ-OD2 2.86Å; R135-D137 IonicContact NE-OD1 3.38Å; R135-D137 PolarHBondContact NE-OD1 3.42Å; R135-D137 IonicContact NE-OD2 3.45Å; R135-D137 IonicContact NH2-OD1 3.88Å; R135-D137 PolarHBondContact NH2-OD1 3.07Å; R135-D137 IonicContact NH2-OD2 3.76Å; R135-D137 PolarHBondContact NH2-OD2 2.91Å; D137-K283 IonicContact OD2-NZ 2.89Å; D137-K283 PolarHBondContact OD2-NZ 2.78Å
138	F	98	Very high	96.7	Very high	25 Å²	25	52.8 Å²	52.8	11%	0.11	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	129.9	177.9	-59.6	-76.7	0	0	0	111.4	L107 L108 F110 V119 L126 V140	L107-F138 CarbonylContact C-O 3.54Å; L107-F138 VanDerWaalsContact CA-O 3.25Å; L107-F138 WeakPolarHBondContact CA-O 3.25Å; L108-F138 PolarHBondContact N-O 2.82Å; L108-F138 PolarHBondContact O-N 3.15Å; F110-F138 AromaticContact CD2-CD2 3.96Å; F110-F138 HydrophobicContact CD2-CD2 3.96Å; F110-F138 AromaticContact CD2-CE2 3.92Å; F110-F138 HydrophobicContact CD2-CE2 3.92Å; F110-F138 AromaticContact CE2-CD2 3.82Å; F110-F138 HydrophobicContact CE2-CD2 3.82Å; F110-F138 AromaticContact CE2-CE2 3.95Å; F110-F138 HydrophobicContact CE2-CE2 3.95Å; V119-F138 HydrophobicContact CB-CE2 4.19Å; V119-F138 HydrophobicContact CB-CZ 4.43Å; V119-F138 HydrophobicContact CG1-CD2 4.46Å; V119-F138 HydrophobicContact CG1-CE2 4.34Å; V119-F138 HydrophobicContact CG2-CE2 3.96Å; V119-F138 HydrophobicContact CG2-CZ 4.24Å; L126-F138 HydrophobicContact CB-CB 4.07Å; L126-F138 HydrophobicContact CB-CD1 3.8Å; L126-F138 HydrophobicContact CB-CE1 4.42Å; L126-F138 HydrophobicContact CB-CG 3.89Å; L126-F138 HydrophobicContact CD1-CB 3.86Å; L126-F138 HydrophobicContact CD1-CG 4.23Å; F138-V140 HydrophobicContact CB-CG1 4.45Å; F138-V140 PolarHBondContact O-N 3.04Å
139	S	96.4	Very high	96.6	Very high	77 Å²	77	45 Å²	45	54%	0.538	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	123.4	174.8	-171.5	0	0	0	0	110.8
140	V	97.6	Very high	96.6	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.006	24%	0.242	C	C	.	.			trans	-128.7	1.1	-170.7	-65.2	0	0	0	0	114.3	A106 L108 L121 L126 F138 D142 L143 L144 L218	A106-V140 HydrophobicContact CB-CG2 4.31Å; A106-V140 PolarHBondContact O-N 3.16Å; L108-V140 HydrophobicContact CB-CG1 3.97Å; L108-V140 HydrophobicContact CB-CG2 4.31Å; L121-V140 HydrophobicContact CD2-CB 3.7Å; L121-V140 HydrophobicContact CD2-CG1 3.75Å; L126-V140 HydrophobicContact CD1-CG1 3.62Å; L126-V140 HydrophobicContact CD2-CG1 4.01Å; L126-V140 HydrophobicContact CG-CG1 4.49Å; F138-V140 HydrophobicContact CB-CG1 4.45Å; F138-V140 PolarHBondContact O-N 3.04Å; V140-D142 VanDerWaalsContact C-N 3.31Å; V140-D142 PolarHBondContact O-N 3.46Å; V140-L143 WeakPolarHBondContact O-CA 3.44Å; V140-L143 WeakPolarHBondContact O-CB 3.43Å; V140-L143 PolarHBondContact O-N 3.42Å; V140-L144 HydrophobicContact CG2-CG 4.49Å; V140-L144 WeakPolarHBondContact O-CG 3.06Å; V140-L144 PolarHBondContact O-N 3.4Å; V140-L218 HydrophobicContact CG2-CD1 3.6Å
141	R	94.8	Very high	96.6	Very high	101 Å²	101	44.8 Å²	44.8	38%	0.381	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-46.8	-51.2	-175	-166.9	-151.9	90	91	-1.1	113.3	Q104 A106 L143	Q104-R141 WeakPolarHBondContact O-CD 3.35Å; A106-R141 HydrophobicContact CB-CB 4.11Å; A106-R141 HydrophobicContact CB-CG 4.47Å; A106-R141 PolarHBondContact O-N 3Å; R141-L143 PolarHBondContact O-N 3.04Å
142	D	95.2	Very high	96.6	Very high	121 Å²	121	48.2 Å²	48.2	65%	0.647	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-78.7	-5.1	-175.5	-55.2	-52.5	0	0	0	113.5	V140	V140-D142 VanDerWaalsContact C-N 3.31Å; V140-D142 PolarHBondContact O-N 3.46Å
143	L	96.8	Very high	96.6	Very high	47 Å²	47	48.2 Å²	48.2	25%	0.246	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-105.1	-11.9	-178.3	-54.6	-178.7	0	0	0	112.6	L121 N122 I124 L126 V140 R141 K145	L121-L143 HydrophobicContact CD2-CB 4.02Å; N122-L143 PolarHBondContact ND2-O 3.12Å; I124-L143 HydrophobicContact CD1-CD2 3.71Å; I124-L143 HydrophobicContact CG2-CD1 4.29Å; I124-L143 HydrophobicContact CG2-CD2 4.49Å; L126-L143 HydrophobicContact CD2-CD1 3.35Å; V140-L143 WeakPolarHBondContact O-CA 3.44Å; V140-L143 WeakPolarHBondContact O-CB 3.43Å; V140-L143 PolarHBondContact O-N 3.42Å; R141-L143 PolarHBondContact O-N 3.04Å; L143-K145 PolarHBondContact O-N 2.99Å
144	L	96.4	Very high	96.6	Very high	22 Å²	22	49.9 Å²	49.9	12%	0.115	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-70.9	124	178.6	-68.9	173.5	0	0	0	110.7	F94 A96 I100 R101 A106 L121 V140 N149 L218	F94-L144 HydrophobicContact CE2-CD2 4.04Å; F94-L144 HydrophobicContact CZ-CD2 4.13Å; A96-L144 HydrophobicContact CB-CD1 4.37Å; A96-L144 HydrophobicContact CB-CD2 4.19Å; I100-L144 HydrophobicContact CG2-CD1 4.25Å; R101-L144 HydrophobicContact CG-CB 4.29Å; A106-L144 HydrophobicContact CB-CD1 3.97Å; L121-L144 HydrophobicContact CD2-CD2 4.31Å; V140-L144 HydrophobicContact CG2-CG 4.49Å; V140-L144 WeakPolarHBondContact O-CG 3.06Å; V140-L144 PolarHBondContact O-N 3.4Å; L144-N149 WeakPolarHBondContact CA-OD1 3.26Å; L144-L218 HydrophobicContact CD1-CD2 4.36Å; L144-L218 HydrophobicContact CD2-CD2 4.26Å
145	K	94.5	Very high	96.7	Very high	107 Å²	107	48.7 Å²	48.7	47%	0.465	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-89.2	157	174.9	-66.7	175.1	-177.3	170.8	0	111.1	N122 L143 N149	N122-K145 HydrophobicContact CB-CD 4.33Å; L143-K145 PolarHBondContact O-N 2.99Å; K145-N149 PolarHBondContact N-OD1 3.14Å; K145-N149 PolarHBondContact O-ND2 3.39Å; K145-N149 VanDerWaalsContact O-ND2 3.09Å
146	D	89.4	Confident	96.8	Very high	120 Å²	120	50.4 Å²	50.4	64%	0.642	27%	0.267	S	S	*	.	S	Bend	trans	-66.3	142.3	159.4	-150.2	-25.5	0	0	0	109.8	R101	R101-D146 IonicContact CZ-OD1 3.93Å; R101-D146 IonicContact CZ-OD2 3.24Å; R101-D146 IonicContact NH1-OD1 3.21Å; R101-D146 IonicContact NH1-OD2 3.21Å; R101-D146 PolarHBondContact NH1-OD2 3.34Å; R101-D146 IonicContact NH2-OD1 3.75Å; R101-D146 PolarHBondContact NH2-OD1 3.32Å; R101-D146 IonicContact NH2-OD2 2.69Å; R101-D146 PolarHBondContact NH2-OD2 2.84Å
147	G	91.9	Very high	96.8	Very high	27 Å²	27	49.6 Å²	49.6	28%	0.278	26%	0.264	S	S	.	.	S	Bend	trans	70	-134.9	-173.1	0	0	0	0	0	113.3	T95 N149	T95-G147 WeakPolarHBondContact CA-O 3.42Å; G147-N149 PolarHBondContact O-ND2 2.98Å; G147-N149 VanDerWaalsContact O-ND2 3.14Å
148	E	96	Very high	96.9	Very high	118 Å²	118	48 Å²	48	55%	0.551	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.2	130.1	-169	-166.4	173	47.9	0	0	112.5	T93	T93-E148 WeakPolarHBondContact CB-OE2 3.35Å; T93-E148 HydrophobicContact CG2-CG 4.11Å; T93-E148 WeakPolarHBondContact CG2-OE2 3.35Å; T93-E148 PolarHBondContact OG1-OE2 2.86Å
149	N	98.1	Very high	96.9	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	134.2	172.7	-70.2	-95.8	0	0	0	108.5	T93 F94 L121 N122 L144 K145 G147	T93-N149 CarbonylContact C-O 3.5Å; T93-N149 WeakPolarHBondContact CA-O 3.35Å; F94-N149 HydrophobicContact CD1-CB 4.23Å; F94-N149 HydrophobicContact CD2-CB 4.22Å; F94-N149 HydrophobicContact CE1-CB 3.82Å; F94-N149 HydrophobicContact CE2-CB 3.81Å; F94-N149 HydrophobicContact CG-CB 4.42Å; F94-N149 HydrophobicContact CZ-CB 3.6Å; F94-N149 PolarHBondContact N-O 3.33Å; F94-N149 WeakPolarHBondContact O-CB 3.16Å; F94-N149 PolarHBondContact O-N 2.57Å; L121-N149 HydrophobicContact CD1-CB 4.25Å; N122-N149 PolarHBondContact ND2-OD1 2.98Å; N122-N149 WeakPolarHBondContact OD1-CA 3.4Å; L144-N149 WeakPolarHBondContact CA-OD1 3.26Å; K145-N149 PolarHBondContact N-OD1 3.14Å; K145-N149 PolarHBondContact O-ND2 3.39Å; K145-N149 VanDerWaalsContact O-ND2 3.09Å; G147-N149 PolarHBondContact O-ND2 2.98Å; G147-N149 VanDerWaalsContact O-ND2 3.14Å
150	V	98.5	Very high	97	Very high	49 Å²	49	47.8 Å²	47.8	30%	0.297	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	119.4	-178.8	-174.9	0	0	0	0	109	T91 T93 L121 N122 E152	T91-V150 HydrophobicContact CG2-CG1 3.96Å; T93-V150 HydrophobicContact CG2-CG1 4.49Å; T93-V150 HydrophobicContact CG2-CG2 4.03Å; L121-V150 CarbonylContact C-O 3.59Å; L121-V150 WeakPolarHBondContact CA-O 3.46Å; N122-V150 PolarHBondContact N-O 3.09Å; N122-V150 PolarHBondContact OD1-N 3.27Å; V150-E152 HydrophobicContact CG1-CG 4.22Å
151	L	98.8	Very high	97.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	129	175.6	172.3	58.9	0	0	0	109.3	L35 W39 T91 T92 F94 L108 F110 V119 S120 L121 V216	L35-L151 HydrophobicContact CD1-CD2 3.98Å; W39-L151 HydrophobicContact CH2-CD2 3.53Å; W39-L151 HydrophobicContact CH2-CG 3.91Å; W39-L151 HydrophobicContact CZ2-CD2 4.19Å; W39-L151 HydrophobicContact CZ3-CD2 4.36Å; W39-L151 HydrophobicContact CZ3-CG 4.27Å; T91-L151 CarbonylContact C-O 3.52Å; T91-L151 WeakPolarHBondContact CA-O 3.36Å; T92-L151 HydrophobicContact CG2-CB 4.13Å; T92-L151 HydrophobicContact CG2-CD2 4.39Å; T92-L151 PolarHBondContact N-O 3.22Å; T92-L151 PolarHBondContact O-N 3.36Å; F94-L151 HydrophobicContact CE1-CB 4.11Å; L108-L151 HydrophobicContact CD1-CD2 3.9Å; L108-L151 HydrophobicContact CD2-CD1 3.45Å; L108-L151 VanDerWaalsContact CD2-CD1 3.45Å; L108-L151 HydrophobicContact CD2-CD2 3.72Å; L108-L151 HydrophobicContact CD2-CG 4.24Å; L108-L151 HydrophobicContact CG-CD2 4.41Å; F110-L151 HydrophobicContact CZ-CD1 4.35Å; F110-L151 HydrophobicContact CZ-CD2 4.31Å; V119-L151 HydrophobicContact CG1-CD1 3.94Å; S120-L151 WeakPolarHBondContact O-CD1 3.17Å; L121-L151 HydrophobicContact CD1-CB 4.37Å; L151-V216 HydrophobicContact CD2-CG1 4.39Å
152	E	98.8	Very high	97.3	Very high	72 Å²	72	45 Å²	45	34%	0.336	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	140.4	177.5	-62.7	174	147.9	0	0	110.5	T89 Y90 T91 V119 S120 V150	T89-E152 HydrophobicContact CG2-CB 4.46Å; Y90-E152 CarbonylContact O-C 3.48Å; Y90-E152 VanDerWaalsContact O-CA 3.32Å; Y90-E152 WeakPolarHBondContact O-CA 3.36Å; T91-E152 HydrophobicContact CG2-CG 3.82Å; V119-E152 WeakPolarHBondContact CA-O 3.4Å; S120-E152 PolarHBondContact N-O 2.84Å; S120-E152 PolarHBondContact O-N 2.94Å; S120-E152 WeakPolarHBondContact OG-CB 3.32Å; V150-E152 HydrophobicContact CG1-CG 4.22Å
153	V	98.9	Very high	97.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	103.3	174.4	-173.9	0	0	0	0	107.4	W39 T89 Y90 F110 A117 S118 V119 F155 L212	W39-V153 HydrophobicContact CH2-CG2 4.48Å; W39-V153 HydrophobicContact CZ3-CG2 4.26Å; T89-V153 WeakPolarHBondContact CA-O 3.31Å; Y90-V153 PolarHBondContact N-O 3.34Å; Y90-V153 PolarHBondContact O-N 3.1Å; F110-V153 HydrophobicContact CE1-CG2 3.9Å; F110-V153 HydrophobicContact CZ-CG2 4.11Å; A117-V153 HydrophobicContact CB-CG1 3.7Å; S118-V153 WeakPolarHBondContact O-CA 3.07Å; V119-V153 HydrophobicContact CG1-CG2 4.42Å; V119-V153 HydrophobicContact CG2-CG1 4.35Å; V119-V153 HydrophobicContact CG2-CG2 4.44Å; V153-F155 HydrophobicContact CB-CE2 4.1Å; V153-F155 HydrophobicContact CG1-CD2 4.1Å; V153-F155 HydrophobicContact CG1-CE1 4.47Å; V153-F155 HydrophobicContact CG1-CE2 3.46Å; V153-F155 VanDerWaalsContact CG1-CE2 3.46Å; V153-F155 HydrophobicContact CG1-CZ 3.69Å; V153-L212 HydrophobicContact CG1-CD2 4.3Å; V153-L212 HydrophobicContact CG2-CD1 4.39Å; V153-L212 HydrophobicContact CG2-CD2 4.43Å
154	A	98.8	Very high	97.5	Very high	37 Å²	37	44.6 Å²	44.6	31%	0.306	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	108.4	-178	0	0	0	0	0	109.9	T89 A117 S118	T89-A154 HydrophobicContact CG2-CB 4.36Å; A117-A154 CarbonylContact C-O 3.48Å; A117-A154 WeakPolarHBondContact CA-O 3.46Å; S118-A154 PolarHBondContact N-O 2.75Å; S118-A154 PolarHBondContact O-N 2.87Å
155	F	98.9	Very high	97.6	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.009	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	143.8	179.5	-68.7	-92.7	0	0	0	111.9	N87 W88 Y90 V113 D114 V116 A117 V153 M210 G211 L212	N87-F155 WeakPolarHBondContact CB-O 3.45Å; W88-F155 PolarHBondContact N-O 3.08Å; W88-F155 WeakPolarHBondContact O-CB 3.39Å; W88-F155 PolarHBondContact O-N 2.7Å; Y90-F155 HydrophobicContact CD2-CD2 4.03Å; Y90-F155 AromaticContact CD2-CE2 3.68Å; Y90-F155 HydrophobicContact CD2-CE2 3.68Å; Y90-F155 HydrophobicContact CE2-CE2 4.28Å; Y90-F155 HydrophobicContact CG-CE2 4.44Å; V113-F155 HydrophobicContact CG1-CE1 3.47Å; V113-F155 VanDerWaalsContact CG1-CE1 3.47Å; V113-F155 HydrophobicContact CG1-CZ 3.75Å; D114-F155 VanDerWaalsContact O-CD1 3.29Å; D114-F155 WeakPolarHBondContact O-CD1 3.41Å; D114-F155 WeakPolarHBondContact O-CE1 3.35Å; V116-F155 WeakPolarHBondContact O-CA 3.24Å; A117-F155 HydrophobicContact CB-CD1 3.75Å; A117-F155 HydrophobicContact CB-CE1 3.91Å; A117-F155 HydrophobicContact CB-CG 4.08Å; A117-F155 HydrophobicContact CB-CZ 4.37Å; V153-F155 HydrophobicContact CB-CE2 4.1Å; V153-F155 HydrophobicContact CG1-CD2 4.1Å; V153-F155 HydrophobicContact CG1-CE1 4.47Å; V153-F155 HydrophobicContact CG1-CE2 3.46Å; V153-F155 VanDerWaalsContact CG1-CE2 3.46Å; V153-F155 HydrophobicContact CG1-CZ 3.69Å; F155-M210 HydrophobicContact CB-CB 4.08Å; F155-M210 HydrophobicContact CB-CG 4.07Å; F155-M210 HydrophobicContact CB-SD 3.99Å; F155-M210 HydrophobicContact CD1-CB 4.11Å; F155-M210 HydrophobicContact CD1-CG 4.43Å; F155-M210 HydrophobicContact CG-CB 4.07Å; F155-M210 HydrophobicContact CG-CG 4.48Å; F155-G211 VanDerWaalsContact CZ-C 3.47Å; F155-G211 WeakPolarHBondContact CZ-O 3.48Å; F155-L212 HydrophobicContact CE2-CG 4.46Å; F155-L212 HydrophobicContact CZ-CD2 4.09Å; F155-L212 HydrophobicContact CZ-CG 4.16Å
156	L	98.7	Very high	97.7	Very high	80 Å²	80	42.4 Å²	42.4	42%	0.419	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-95.9	147.1	165.5	-61.3	-179.6	0	0	0	109.9	N87 V116	N87-L156 WeakPolarHBondContact OD1-CA 3.26Å; V116-L156 HydrophobicContact CB-CB 4.43Å; V116-L156 HydrophobicContact CG1-CB 4.27Å; V116-L156 HydrophobicContact CG1-CD1 4Å; V116-L156 HydrophobicContact CG1-CG 4.4Å; V116-L156 PolarHBondContact O-N 3.36Å
157	S	98.9	Very high	98.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-51.8	123.7	171.2	165.7	0	0	0	0	110.5	A84 N87 V159 L160 Y161	A84-S157 VanDerWaalsContact O-CB 3.29Å; A84-S157 WeakPolarHBondContact O-CB 3.27Å; A84-S157 PolarHBondContact O-OG 2.97Å; N87-S157 PolarHBondContact OD1-N 3.44Å; S157-V159 VanDerWaalsContact C-N 3.27Å; S157-V159 PolarHBondContact O-N 3.31Å; S157-V159 PolarHBondContact OG-N 2.85Å; S157-L160 PolarHBondContact O-N 3.39Å; S157-L160 PolarHBondContact OG-N 2.9Å; S157-Y161 VanDerWaalsContact O-CB 3.27Å; S157-Y161 WeakPolarHBondContact O-CB 3.27Å; S157-Y161 PolarHBondContact O-N 3.14Å
158	P	98.8	Very high	98.3	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.019	24%	0.243	C	C	.	.	H	α-helix	trans	-65.5	-32.8	178.3	25.2	-33.4	0	0	0	111.9	A162 I192 K194 F199 P208 M210	P158-A162 VanDerWaalsContact O-CB 3.27Å; P158-A162 WeakPolarHBondContact O-CB 3.47Å; P158-A162 PolarHBondContact O-N 3.41Å; P158-I192 HydrophobicContact CB-CD1 3.73Å; P158-K194 HydrophobicContact CB-CD 4.16Å; P158-F199 HydrophobicContact CB-CE1 4.27Å; P158-F199 HydrophobicContact CB-CZ 4.27Å; P158-P208 HydrophobicContact CB-CB 4.48Å; P158-P208 HydrophobicContact CG-CB 3.67Å; P158-P208 VanDerWaalsContact CG-O 3.25Å; P158-P208 WeakPolarHBondContact CG-O 3.31Å; P158-M210 HydrophobicContact CG-CG 4.46Å
159	V	98.8	Very high	98.3	Very high	13 Å²	13	40 Å²	40	8%	0.079	22%	0.219	C	C	.	.	H	α-helix	trans	-67.5	-50.1	178.6	179.3	0	0	0	0	110.6	A84 L85 S157 A162 A163 E186 F199 P208	A84-V159 HydrophobicContact CB-CG2 4.33Å; L85-V159 HydrophobicContact CD2-CB 4.05Å; L85-V159 HydrophobicContact CD2-CG1 3.85Å; S157-V159 VanDerWaalsContact C-N 3.27Å; S157-V159 PolarHBondContact O-N 3.31Å; S157-V159 PolarHBondContact OG-N 2.85Å; V159-A162 PolarHBondContact O-N 3.12Å; V159-A163 PolarHBondContact O-N 3.46Å; V159-A163 VanDerWaalsContact O-N 3.09Å; V159-E186 HydrophobicContact CG1-CB 4.4Å; V159-E186 HydrophobicContact CG1-CG 4.36Å; V159-E186 WeakPolarHBondContact CG1-OE2 3.34Å; V159-E186 HydrophobicContact CG2-CB 4.16Å; V159-E186 HydrophobicContact CG2-CG 3.8Å; V159-F199 HydrophobicContact CG2-CE2 4.34Å; V159-F199 HydrophobicContact CG2-CZ 4.17Å; V159-P208 HydrophobicContact CG2-CB 3.99Å; V159-P208 HydrophobicContact CG2-CG 3.89Å
160	L	98.7	Very high	98	Very high	83 Å²	83	45.4 Å²	45.4	44%	0.435	26%	0.257	S	S	.	.	H	α-helix	trans	-66.2	-40.7	179.5	-61.3	-178.9	0	0	0	111.4	L85 S157 A163 E164	L85-L160 HydrophobicContact CD2-CD2 4.17Å; L85-L160 HydrophobicContact CD2-CG 4.4Å; L85-L160 WeakPolarHBondContact O-CD1 3.16Å; S157-L160 PolarHBondContact O-N 3.39Å; S157-L160 PolarHBondContact OG-N 2.9Å; L160-A163 PolarHBondContact O-N 3.39Å; L160-E164 WeakPolarHBondContact O-CG 3.37Å; L160-E164 PolarHBondContact O-N 3.24Å
161	Y	98.8	Very high	97.7	Very high	45 Å²	45	47.1 Å²	47.1	18%	0.176	27%	0.272	C	S	.	.	H	α-helix	trans	-59.6	-47.3	175.1	175.9	-93.7	0	0	0	112.3	V116 S157 A163 E164 R165 I192	V116-Y161 HydrophobicContact CB-CD2 4.37Å; V116-Y161 HydrophobicContact CB-CG 4.45Å; V116-Y161 HydrophobicContact CG1-CD2 3.86Å; V116-Y161 HydrophobicContact CG1-CE2 3.92Å; V116-Y161 HydrophobicContact CG1-CG 4.43Å; V116-Y161 HydrophobicContact CG2-CD1 3.67Å; V116-Y161 HydrophobicContact CG2-CD2 3.95Å; V116-Y161 HydrophobicContact CG2-CE1 3.74Å; V116-Y161 HydrophobicContact CG2-CE2 4.02Å; V116-Y161 HydrophobicContact CG2-CG 3.76Å; S157-Y161 VanDerWaalsContact O-CB 3.27Å; S157-Y161 WeakPolarHBondContact O-CB 3.27Å; S157-Y161 PolarHBondContact O-N 3.14Å; Y161-A163 VanDerWaalsContact C-N 3.33Å; Y161-A163 PolarHBondContact O-N 3.18Å; Y161-E164 PolarHBondContact O-N 3.32Å; Y161-R165 HydrophobicContact CD1-CG 4.01Å; Y161-R165 HydrophobicContact CE1-CG 3.56Å; Y161-R165 HydrophobicContact CE2-CG 4.15Å; Y161-R165 HydrophobicContact CG-CG 4.5Å; Y161-R165 WeakPolarHBondContact O-CG 3.35Å; Y161-R165 PolarHBondContact O-N 2.9Å; Y161-I192 HydrophobicContact CD1-CB 4.3Å; Y161-I192 HydrophobicContact CD1-CD1 4.03Å; Y161-I192 HydrophobicContact CD1-CG1 4.21Å; Y161-I192 HydrophobicContact CE1-CB 4.41Å; Y161-I192 HydrophobicContact CE1-CG1 4.3Å
162	A	98.8	Very high	97.6	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-60.9	-42.1	178.7	0	0	0	0	0	111.9	P158 V159 R165 R166 H188 I192 F199	P158-A162 VanDerWaalsContact O-CB 3.27Å; P158-A162 WeakPolarHBondContact O-CB 3.47Å; P158-A162 PolarHBondContact O-N 3.41Å; V159-A162 PolarHBondContact O-N 3.12Å; A162-R165 PolarHBondContact O-N 3.45Å; A162-R166 WeakPolarHBondContact O-CB 3.32Å; A162-R166 PolarHBondContact O-N 2.99Å; A162-H188 HydrophobicContact CB-CB 4.2Å; A162-H188 WeakPolarHBondContact CB-O 3.24Å; A162-I192 HydrophobicContact CB-CG2 4.18Å; A162-F199 HydrophobicContact CB-CE2 4.19Å; A162-F199 HydrophobicContact CB-CZ 4.32Å
163	A	98.5	Very high	97.5	Very high	30 Å²	30	47.3 Å²	47.3	25%	0.248	28%	0.277	C	S	.	.	H	α-helix	trans	-64.2	-41.5	174.5	0	0	0	0	0	112.7	V159 L160 Y161 R166 N167	V159-A163 PolarHBondContact O-N 3.46Å; V159-A163 VanDerWaalsContact O-N 3.09Å; L160-A163 PolarHBondContact O-N 3.39Å; Y161-A163 VanDerWaalsContact C-N 3.33Å; Y161-A163 PolarHBondContact O-N 3.18Å; A163-R166 PolarHBondContact O-N 3.32Å; A163-N167 WeakPolarHBondContact O-CB 3.28Å; A163-N167 VanDerWaalsContact O-CG 3.25Å; A163-N167 PolarHBondContact O-N 3.01Å; A163-N167 PolarHBondContact O-ND2 2.88Å
164	E	98.2	Very high	97.5	Very high	128 Å²	128	47.3 Å²	47.3	60%	0.598	28%	0.277	S	S	*	.	H	α-helix	trans	-62.4	-43.5	174.8	-76.3	179.9	-178.8	0	0	112	L160 Y161 N167 A168	L160-E164 WeakPolarHBondContact O-CG 3.37Å; L160-E164 PolarHBondContact O-N 3.24Å; Y161-E164 PolarHBondContact O-N 3.32Å; E164-N167 PolarHBondContact O-N 3.12Å; E164-A168 WeakPolarHBondContact O-CB 3.45Å; E164-A168 PolarHBondContact O-N 3.43Å
165	R	98.2	Very high	97.4	Very high	47 Å²	47	46.2 Å²	46.2	18%	0.177	27%	0.267	C	S	.	.	H	α-helix	trans	-61.2	-45.3	174.9	-72.5	-66	-61.4	-177.1	-1.3	111.7	Y161 A162 N167 A168 H169 F191 D438	Y161-R165 HydrophobicContact CD1-CG 4.01Å; Y161-R165 HydrophobicContact CE1-CG 3.56Å; Y161-R165 HydrophobicContact CE2-CG 4.15Å; Y161-R165 HydrophobicContact CG-CG 4.5Å; Y161-R165 WeakPolarHBondContact O-CG 3.35Å; Y161-R165 PolarHBondContact O-N 2.9Å; A162-R165 PolarHBondContact O-N 3.45Å; R165-N167 VanDerWaalsContact C-N 3.33Å; R165-N167 PolarHBondContact O-N 3.26Å; R165-A168 PolarHBondContact O-N 3.45Å; R165-H169 PolarHBondContact O-N 2.9Å; R165-H169 VanDerWaalsContact O-N 3.09Å; R165-F191 HydrophobicContact CB-CB 3.83Å; R165-F191 HydrophobicContact CB-CD1 3.93Å; R165-F191 HydrophobicContact CB-CG 4.2Å; R165-D438 IonicContact CZ-OD1 2.67Å; R165-D438 IonicContact CZ-OD2 2.92Å; R165-D438 VanDerWaalsContact CZ-OD2 3.31Å; R165-D438 IonicContact NH1-OD1 2.82Å; R165-D438 IonicContact NH1-OD2 3.32Å; R165-D438 PolarHBondContact NH1-OD2 2.91Å; R165-D438 IonicContact NH2-OD1 2.66Å; R165-D438 PolarHBondContact NH2-OD1 2.8Å; R165-D438 IonicContact NH2-OD2 3.86Å; R165-D438 PolarHBondContact NH2-OD2 2.89Å; R165-D438 VanDerWaalsContact NH2-OD2 3.13Å
166	R	97.4	Very high	97.4	Very high	36 Å²	36	48.3 Å²	48.3	14%	0.136	28%	0.28	C	S	.	.	H	α-helix	trans	-57.6	-46.1	173.9	171.3	65	-164.6	101.6	-4.5	111.5	A162 A163 A168 H169 Y172 E177 H188 F191	A162-R166 WeakPolarHBondContact O-CB 3.32Å; A162-R166 PolarHBondContact O-N 2.99Å; A163-R166 PolarHBondContact O-N 3.32Å; R166-A168 VanDerWaalsContact C-N 3.32Å; R166-A168 PolarHBondContact O-N 2.93Å; R166-H169 PolarHBondContact NH1-O 3.24Å; R166-H169 PolarHBondContact O-N 3.08Å; R166-Y172 PolarHBondContact NH1-O 2.88Å; R166-E177 IonicContact CZ-OE1 3.95Å; R166-E177 VanDerWaalsContact CZ-OE1 3.32Å; R166-E177 IonicContact NE-OE1 2.68Å; R166-E177 PolarHBondContact NE-OE1 2.89Å; R166-E177 IonicContact NH2-OE1 3.84Å; R166-E177 PolarHBondContact NH2-OE1 3.46Å; R166-H188 HydrophobicContact CB-CB 4.23Å; R166-F191 HydrophobicContact CB-CD2 3.96Å; R166-F191 HydrophobicContact CB-CE2 3.96Å; R166-F191 HydrophobicContact CB-CG 4.32Å; R166-F191 HydrophobicContact CB-CZ 4.31Å; R166-F191 HydrophobicContact CG-CE2 4.23Å
167	N	96.9	Very high	97.3	Very high	126 Å²	126	48.4 Å²	48.4	67%	0.674	28%	0.279	S	S	*	.	H	α-helix	trans	-65.3	-34.7	179.7	-73.6	-30.1	0	0	0	112.7	A163 E164 R165 H169	A163-N167 WeakPolarHBondContact O-CB 3.28Å; A163-N167 VanDerWaalsContact O-CG 3.25Å; A163-N167 PolarHBondContact O-N 3.01Å; A163-N167 PolarHBondContact O-ND2 2.88Å; E164-N167 PolarHBondContact O-N 3.12Å; R165-N167 VanDerWaalsContact C-N 3.33Å; R165-N167 PolarHBondContact O-N 3.26Å; N167-H169 VanDerWaalsContact C-N 3.3Å
168	A	97.1	Very high	97.3	Very high	79 Å²	79	51.5 Å²	51.5	65%	0.653	30%	0.3	S	S	*	.	H	α-helix	trans	-68.3	-29.3	174.4	0	0	0	0	0	112.5	E164 R165 R166 S170	E164-A168 WeakPolarHBondContact O-CB 3.45Å; E164-A168 PolarHBondContact O-N 3.43Å; R165-A168 PolarHBondContact O-N 3.45Å; R166-A168 VanDerWaalsContact C-N 3.32Å; R166-A168 PolarHBondContact O-N 2.93Å; A168-S170 PolarHBondContact O-N 2.81Å
169	H	95.7	Very high	97.3	Very high	10 Å²	10	52.8 Å²	52.8	5%	0.046	31%	0.308	C	S	.	.			trans	-78.3	79.2	173	-173.3	89	0	0	0	111.4	R165 R166 N167 S171 Y172 F191 E436	R165-H169 PolarHBondContact O-N 2.9Å; R165-H169 VanDerWaalsContact O-N 3.09Å; R166-H169 PolarHBondContact NH1-O 3.24Å; R166-H169 PolarHBondContact O-N 3.08Å; N167-H169 VanDerWaalsContact C-N 3.3Å; H169-S171 PolarHBondContact CE1-OG 2.77Å; H169-S171 PolarHBondContact NE2-OG 3.47Å; H169-Y172 PolarHBondContact CD2-O 2.68Å; H169-Y172 AromaticContact CE1-CE1 3.69Å; H169-Y172 AromaticContact CE1-CZ 3.7Å; H169-Y172 AromaticContact NE2-CD1 3.69Å; H169-Y172 AromaticContact NE2-CD2 3.93Å; H169-Y172 AromaticContact NE2-CE1 3.55Å; H169-Y172 AromaticContact NE2-CE2 3.84Å; H169-Y172 AromaticContact NE2-CG 3.83Å; H169-Y172 AromaticContact NE2-CZ 3.61Å; H169-Y172 PolarHBondContact NE2-O 2.89Å; H169-F191 HydrophobicContact CB-CE1 3.69Å; H169-F191 HydrophobicContact CB-CZ 4.05Å; H169-E436 IonicContact CE1-OE1 3.75Å; H169-E436 IonicContact CG-OE1 3.68Å; H169-E436 IonicContact ND1-OE1 3.98Å; H169-E436 PolarHBondContact ND1-OE1 2.64Å
170	S	91.1	Very high	97.3	Very high	113 Å²	113	55.5 Å²	55.5	79%	0.79	33%	0.326	S	S	*	.			trans	-88.1	-3.9	-174.9	68.5	0	0	0	0	115.1	A168	A168-S170 PolarHBondContact O-N 2.81Å
171	S	93.1	Very high	97.2	Very high	86 Å²	86	59 Å²	59	60%	0.601	35%	0.345	S	S	*	.	S	Bend	trans	-75	-38.2	-170.8	43.1	0	0	0	0	114.3	H169	H169-S171 PolarHBondContact CE1-OG 2.77Å; H169-S171 PolarHBondContact NE2-OG 3.47Å
172	Y	96.2	Very high	97.2	Very high	40 Å²	40	58.8 Å²	58.8	16%	0.157	35%	0.348	C	S	.	.	S	Bend	trans	-159.5	-178.1	175.9	51.4	-76.9	0	0	0	108.4	R166 H169 V174 T487 Y488 D491	R166-Y172 PolarHBondContact NH1-O 2.88Å; H169-Y172 PolarHBondContact CD2-O 2.68Å; H169-Y172 AromaticContact CE1-CE1 3.69Å; H169-Y172 AromaticContact CE1-CZ 3.7Å; H169-Y172 AromaticContact NE2-CD1 3.69Å; H169-Y172 AromaticContact NE2-CD2 3.93Å; H169-Y172 AromaticContact NE2-CE1 3.55Å; H169-Y172 AromaticContact NE2-CE2 3.84Å; H169-Y172 AromaticContact NE2-CG 3.83Å; H169-Y172 AromaticContact NE2-CZ 3.61Å; H169-Y172 PolarHBondContact NE2-O 2.89Å; Y172-V174 HydrophobicContact CE2-CG2 4.2Å; Y172-T487 HydrophobicContact CD1-CG2 4.46Å; Y172-T487 HydrophobicContact CE1-CG2 4Å; Y172-T487 HydrophobicContact CE2-CG2 4.13Å; Y172-Y488 HydrophobicContact CD2-CE1 4.16Å; Y172-Y488 HydrophobicContact CD2-CE2 4.42Å; Y172-Y488 AromaticContact CD2-CZ 3.93Å; Y172-Y488 HydrophobicContact CE2-CE1 4.2Å; Y172-D491 PolarHBondContact OH-OD2 2.78Å
173	A	96.9	Very high	97.2	Very high	35 Å²	35	59.8 Å²	59.8	29%	0.289	35%	0.353	S	S	.	.			trans	-88.8	154.8	172	0	0	0	0	0	110.4	Y488	A173-Y488 PolarHBondContact O-OH 3.21Å
174	V	98.3	Very high	97.2	Very high	1 Å²	1	61 Å²	61	1%	0.006	35%	0.353	C	S	.	.			trans	-122.8	97.6	171.7	-174.3	0	0	0	0	107.3	Y172 N190 F191 M432 P434	Y172-V174 HydrophobicContact CE2-CG2 4.2Å; V174-N190 PolarHBondContact O-ND2 3.48Å; V174-F191 HydrophobicContact CB-CE2 3.84Å; V174-F191 HydrophobicContact CB-CZ 3.71Å; V174-F191 HydrophobicContact CG2-CE2 4.38Å; V174-F191 HydrophobicContact CG2-CZ 3.73Å; V174-M432 VanDerWaalsContact CG1-C 3.44Å; V174-M432 HydrophobicContact CG1-CB 3.85Å; V174-M432 VanDerWaalsContact CG1-O 3.24Å; V174-M432 WeakPolarHBondContact CG1-O 2.95Å; V174-P434 HydrophobicContact CG2-CB 4.29Å
175	P	98.1	Very high	97.2	Very high	14 Å²	14	55.5 Å²	55.5	9%	0.091	33%	0.331	C	S	.	.	S	Bend	trans	-83.1	163.3	-169.9	33.4	-35.8	0	0	0	113.3	M432 F478 I480 Y488	P175-M432 HydrophobicContact CG-CB 4.42Å; P175-M432 HydrophobicContact CG-CG 4.02Å; P175-M432 WeakPolarHBondContact O-CB 3.48Å; P175-M432 PolarHBondContact O-N 2.98Å; P175-F478 HydrophobicContact CB-CB 3.56Å; P175-F478 HydrophobicContact CB-CD1 4.16Å; P175-F478 HydrophobicContact CB-CD2 4.17Å; P175-F478 HydrophobicContact CB-CG 3.7Å; P175-F478 HydrophobicContact CG-CB 3.5Å; P175-F478 HydrophobicContact CG-CD2 3.77Å; P175-F478 HydrophobicContact CG-CG 3.72Å; P175-I480 HydrophobicContact CG-CD1 4.38Å; P175-I480 HydrophobicContact CG-CG1 4.29Å; P175-Y488 HydrophobicContact CG-CE1 4.29Å
176	P	98.2	Very high	97.2	Very high	45 Å²	45	54 Å²	54	29%	0.292	33%	0.326	S	S	.	.			cis	-71.1	145	-8.4	30.9	-33.2	0	0	0	110.9	F478	P176-F478 HydrophobicContact CB-CD1 4.21Å; P176-F478 HydrophobicContact CB-CE1 4.07Å; P176-F478 HydrophobicContact CG-CE1 4.04Å
177	E	97.6	Very high	97.3	Very high	82 Å²	82	54 Å²	54	38%	0.383	33%	0.331	S	S	.	.	S	Bend	trans	-75.5	-43.4	177.8	-73.9	-158.8	154.5	0	0	111.5	R166 C187 H188	R166-E177 IonicContact CZ-OE1 3.95Å; R166-E177 VanDerWaalsContact CZ-OE1 3.32Å; R166-E177 IonicContact NE-OE1 2.68Å; R166-E177 PolarHBondContact NE-OE1 2.89Å; R166-E177 IonicContact NH2-OE1 3.84Å; R166-E177 PolarHBondContact NH2-OE1 3.46Å; E177-C187 CarbonylContact O-C 3.53Å; E177-C187 WeakPolarHBondContact O-CA 3.45Å; E177-C187 VanDerWaalsContact O-CB 3.25Å; E177-C187 WeakPolarHBondContact O-CB 3.46Å; E177-H188 PolarHBondContact O-CE1 2.69Å; E177-H188 PolarHBondContact O-N 3.06Å; E177-H188 PolarHBondContact O-ND1 3.03Å
178	C	98.4	Very high	97.4	Very high	66 Å²	66	49.4 Å²	49.4	45%	0.446	31%	0.306	S	S	.	.	S	Bend	trans	-132.1	151.7	175.7	-64.2	0	0	0	0	110.1	C187	C178-C187 HydrophobicContact CB-CB 4.02Å; C178-C187 WeakPolarHBondContact CB-SG 3.46Å; C178-C187 WeakPolarHBondContact SG-CB 3.49Å; C178-C187 CovalentContact SG-SG 2.04Å; C178-C187 PolarHBondContact SG-SG 3.11Å
179	P	98.4	Very high	97.5	Very high	30 Å²	30	46.8 Å²	46.8	20%	0.195	28%	0.281	C	S	.	.			trans	-68.4	162.6	170.7	30.3	-34.4	0	0	0	110.8	Q183 E186	P179-Q183 HydrophobicContact CB-CB 4.49Å; P179-E186 WeakPolarHBondContact CD-O 3.23Å
180	P	98.3	Very high	97.6	Very high	70 Å²	70	46.4 Å²	46.4	46%	0.455	28%	0.28	S	S	.	.			trans	-54.8	142.6	170.1	-24.9	34.4	0	0	0	112.5	V182 Q183	P180-V182 HydrophobicContact CB-CG1 3.96Å; P180-V182 PolarHBondContact O-N 3.36Å; P180-V182 VanDerWaalsContact O-N 3.11Å; P180-Q183 HydrophobicContact CB-CG 4.46Å; P180-Q183 WeakPolarHBondContact O-CB 3.35Å; P180-Q183 PolarHBondContact O-N 2.97Å
181	D	97.9	Very high	98	Very high	156 Å²	156	41.1 Å²	41.1	83%	0.834	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-56.5	-32.5	-178.5	-72.2	-19.9	0	0	0	112.9	Q183 K184	D181-Q183 PolarHBondContact O-N 2.89Å; D181-Q183 VanDerWaalsContact O-N 3.12Å; D181-K184 PolarHBondContact O-N 3.34Å
182	V	98.2	Very high	98.3	Very high	40 Å²	40	37.1 Å²	37.1	24%	0.242	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-61.1	-17.8	176.3	66.4	0	0	0	0	112.9	P180 K184 Q597 H598 E600	P180-V182 HydrophobicContact CB-CG1 3.96Å; P180-V182 PolarHBondContact O-N 3.36Å; P180-V182 VanDerWaalsContact O-N 3.11Å; V182-K184 VanDerWaalsContact O-CD 3.23Å; V182-K184 WeakPolarHBondContact O-CD 3.38Å; V182-K184 WeakPolarHBondContact O-CE 3.45Å; V182-K184 PolarHBondContact O-NZ 2.89Å; V182-Q597 WeakPolarHBondContact CG2-O 3.09Å; V182-H598 WeakPolarHBondContact CG1-O 3.44Å; V182-H598 WeakPolarHBondContact O-CA 3.33Å; V182-E600 HydrophobicContact CG1-CB 4.43Å
183	Q	98.7	Very high	98.4	Very high	22 Å²	22	35.4 Å²	35.4	10%	0.103	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-88.6	-11.3	176.1	-57.5	-174.4	7.5	0	0	113.6	P179 P180 D181 G185 S200 H598	P179-Q183 HydrophobicContact CB-CB 4.49Å; P180-Q183 HydrophobicContact CB-CG 4.46Å; P180-Q183 WeakPolarHBondContact O-CB 3.35Å; P180-Q183 PolarHBondContact O-N 2.97Å; D181-Q183 PolarHBondContact O-N 2.89Å; D181-Q183 VanDerWaalsContact O-N 3.12Å; Q183-G185 PolarHBondContact O-N 2.86Å; Q183-S200 VanDerWaalsContact CB-OG 3.3Å; Q183-S200 WeakPolarHBondContact CB-OG 3.34Å; Q183-S200 WeakPolarHBondContact O-CB 3.22Å; Q183-S200 PolarHBondContact OE1-OG 3.14Å; Q183-H598 HydrophobicContact CG-CB 4.45Å; Q183-H598 WeakPolarHBondContact CG-O 3.09Å; Q183-H598 PolarHBondContact O-CE1 3.35Å; Q183-H598 PolarHBondContact O-ND1 3.14Å
184	K	98.5	Very high	98.5	Very high	54 Å²	54	33.8 Å²	33.8	24%	0.235	19%	0.194	C	C	.	.			trans	52.4	38.7	-179	-56.1	95.4	-166.9	178.3	0	112.7	V78 D181 V182 S594 H595 Q597	V78-K184 HydrophobicContact CG2-CB 4.43Å; D181-K184 PolarHBondContact O-N 3.34Å; V182-K184 VanDerWaalsContact O-CD 3.23Å; V182-K184 WeakPolarHBondContact O-CD 3.38Å; V182-K184 WeakPolarHBondContact O-CE 3.45Å; V182-K184 PolarHBondContact O-NZ 2.89Å; K184-S594 PolarHBondContact NZ-O 3.01Å; K184-H595 PolarHBondContact NZ-O 3.32Å; K184-Q597 PolarHBondContact NZ-O 3.03Å
185	G	98.4	Very high	98.5	Very high	14 Å²	14	34 Å²	34	14%	0.144	20%	0.195	C	C	.	.			trans	-93.6	-169.2	-170.1	0	0	0	0	0	116.9	Q183 F199 S200	Q183-G185 PolarHBondContact O-N 2.86Å; G185-F199 CarbonylContact C-O 3.51Å; G185-F199 WeakPolarHBondContact CA-O 3.37Å; G185-S200 VanDerWaalsContact CA-OG 3.23Å; G185-S200 WeakPolarHBondContact CA-OG 3.37Å
186	E	98.8	Very high	98.5	Very high	14 Å²	14	33.4 Å²	33.4	7%	0.065	19%	0.191	C	C	.	.			trans	-116.2	149.9	177.1	-65.4	-73.8	-171.2	0	0	110.5	R81 V159 P179 F199 S206 P208	R81-E186 WeakPolarHBondContact CG-OE1 3.47Å; R81-E186 IonicContact CZ-OE1 3.68Å; R81-E186 VanDerWaalsContact CZ-OE1 3.29Å; R81-E186 IonicContact CZ-OE2 3.31Å; R81-E186 IonicContact NE-OE1 3.88Å; R81-E186 PolarHBondContact NE-OE1 2.98Å; R81-E186 IonicContact NE-OE2 3.13Å; R81-E186 IonicContact NH2-OE1 3.49Å; R81-E186 PolarHBondContact NH2-OE1 2.97Å; R81-E186 IonicContact NH2-OE2 3.39Å; R81-E186 PolarHBondContact NH2-OE2 2.86Å; V159-E186 HydrophobicContact CG1-CB 4.4Å; V159-E186 HydrophobicContact CG1-CG 4.36Å; V159-E186 WeakPolarHBondContact CG1-OE2 3.34Å; V159-E186 HydrophobicContact CG2-CB 4.16Å; V159-E186 HydrophobicContact CG2-CG 3.8Å; P179-E186 WeakPolarHBondContact CD-O 3.23Å; E186-F199 HydrophobicContact CB-CB 4.14Å; E186-F199 HydrophobicContact CB-CD2 3.43Å; E186-F199 VanDerWaalsContact CB-CD2 3.43Å; E186-F199 HydrophobicContact CB-CE2 4Å; E186-F199 HydrophobicContact CB-CG 3.89Å; E186-F199 PolarHBondContact N-O 2.67Å; E186-S206 WeakPolarHBondContact CG-OG 3.42Å; E186-P208 HydrophobicContact CG-CG 4.09Å
187	C	98.7	Very high	98.6	Very high	37 Å²	37	31.3 Å²	31.3	25%	0.25	18%	0.177	C	C	.	.	S	Bend	trans	-84.6	160.5	-175.2	-56.7	0	0	0	0	113.1	E177 C178 V189 F199	E177-C187 CarbonylContact O-C 3.53Å; E177-C187 WeakPolarHBondContact O-CA 3.45Å; E177-C187 VanDerWaalsContact O-CB 3.25Å; E177-C187 WeakPolarHBondContact O-CB 3.46Å; C178-C187 HydrophobicContact CB-CB 4.02Å; C178-C187 WeakPolarHBondContact CB-SG 3.46Å; C178-C187 WeakPolarHBondContact SG-CB 3.49Å; C178-C187 CovalentContact SG-SG 2.04Å; C178-C187 PolarHBondContact SG-SG 3.11Å; C187-V189 PolarHBondContact O-N 2.9Å; C187-F199 WeakPolarHBondContact O-CD2 3.23Å; C187-F199 VanDerWaalsContact O-CE2 3.32Å; C187-F199 WeakPolarHBondContact O-CE2 3.43Å
188	H	98.7	Very high	98.6	Very high	30 Å²	30	27.8 Å²	27.8	14%	0.139	16%	0.162	C	C	.	.			trans	65.9	26.3	165.9	-45.8	-50.3	0	0	0	117	A162 R166 E177 N190 F191	A162-H188 HydrophobicContact CB-CB 4.2Å; A162-H188 WeakPolarHBondContact CB-O 3.24Å; R166-H188 HydrophobicContact CB-CB 4.23Å; E177-H188 PolarHBondContact O-CE1 2.69Å; E177-H188 PolarHBondContact O-N 3.06Å; E177-H188 PolarHBondContact O-ND1 3.03Å; H188-N190 WeakPolarHBondContact CA-OD1 3.38Å; H188-N190 PolarHBondContact O-N 3.41Å; H188-N190 PolarHBondContact O-OD1 2.71Å; H188-F191 HydrophobicContact CB-CD2 4.14Å; H188-F191 PolarHBondContact O-N 2.82Å
189	V	98.8	Very high	98.6	Very high	24 Å²	24	24.8 Å²	24.8	15%	0.145	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-55.4	-27.5	179	71.1	0	0	0	0	113.7	C187 F191 I192 Q196 F199	C187-V189 PolarHBondContact O-N 2.9Å; V189-F191 PolarHBondContact O-N 3.34Å; V189-I192 HydrophobicContact CG2-CG2 4.46Å; V189-I192 VanDerWaalsContact O-CG2 3.23Å; V189-I192 WeakPolarHBondContact O-CG2 3.39Å; V189-I192 PolarHBondContact O-N 3.11Å; V189-I192 VanDerWaalsContact O-O 3.13Å; V189-Q196 WeakPolarHBondContact CG2-O 3.44Å; V189-F199 HydrophobicContact CB-CB 3.83Å; V189-F199 HydrophobicContact CB-CD1 4.26Å; V189-F199 HydrophobicContact CB-CD2 3.63Å; V189-F199 HydrophobicContact CB-CE2 4.24Å; V189-F199 HydrophobicContact CB-CG 3.66Å; V189-F199 HydrophobicContact CG2-CB 3.91Å; V189-F199 HydrophobicContact CG2-CD1 3.74Å; V189-F199 HydrophobicContact CG2-CD2 4.04Å; V189-F199 HydrophobicContact CG2-CE1 4.23Å; V189-F199 HydrophobicContact CG2-CG 3.63Å
190	N	98.7	Very high	98.7	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.011	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-66	-13.7	176.7	60	-21.9	0	0	0	114.6	V174 H188 A431 M432 Y433 P434	V174-N190 PolarHBondContact O-ND2 3.48Å; H188-N190 WeakPolarHBondContact CA-OD1 3.38Å; H188-N190 PolarHBondContact O-N 3.41Å; H188-N190 PolarHBondContact O-OD1 2.71Å; N190-A431 HydrophobicContact CB-CB 4.04Å; N190-M432 WeakPolarHBondContact CB-O 3.48Å; N190-M432 PolarHBondContact ND2-O 3.07Å; N190-Y433 HydrophobicContact CB-CD1 3.98Å; N190-Y433 HydrophobicContact CB-CE1 3.93Å; N190-Y433 WeakPolarHBondContact O-CD1 3.44Å; N190-P434 WeakPolarHBondContact O-CD 3.27Å
191	F	98.8	Very high	98.7	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.009	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-90.1	-2.2	175.7	-80.1	-87.3	0	0	0	114.4	R165 R166 H169 V174 H188 V189 P434	R165-F191 HydrophobicContact CB-CB 3.83Å; R165-F191 HydrophobicContact CB-CD1 3.93Å; R165-F191 HydrophobicContact CB-CG 4.2Å; R166-F191 HydrophobicContact CB-CD2 3.96Å; R166-F191 HydrophobicContact CB-CE2 3.96Å; R166-F191 HydrophobicContact CB-CG 4.32Å; R166-F191 HydrophobicContact CB-CZ 4.31Å; R166-F191 HydrophobicContact CG-CE2 4.23Å; H169-F191 HydrophobicContact CB-CE1 3.69Å; H169-F191 HydrophobicContact CB-CZ 4.05Å; V174-F191 HydrophobicContact CB-CE2 3.84Å; V174-F191 HydrophobicContact CB-CZ 3.71Å; V174-F191 HydrophobicContact CG2-CE2 4.38Å; V174-F191 HydrophobicContact CG2-CZ 3.73Å; H188-F191 HydrophobicContact CB-CD2 4.14Å; H188-F191 PolarHBondContact O-N 2.82Å; V189-F191 PolarHBondContact O-N 3.34Å; F191-P434 HydrophobicContact CD1-CB 4.35Å; F191-P434 HydrophobicContact CD1-CG 3.9Å; F191-P434 HydrophobicContact CE1-CB 3.87Å; F191-P434 HydrophobicContact CE1-CG 3.93Å; F191-P434 HydrophobicContact CZ-CB 4.42Å
192	I	98.9	Very high	98.7	Very high	2 Å²	2	16 Å²	16	1%	0.01	9%	0.087	C	C	.	.	S	Bend	trans	-126.5	135.3	179.7	-176.3	172.1	0	0	0	110.6	T115 V116 P158 Y161 A162 V189 K194 Q196 F199	T115-I192 HydrophobicContact CG2-CD1 4.03Å; T115-I192 HydrophobicContact CG2-CG1 3.99Å; V116-I192 HydrophobicContact CG2-CD1 4.11Å; P158-I192 HydrophobicContact CB-CD1 3.73Å; Y161-I192 HydrophobicContact CD1-CB 4.3Å; Y161-I192 HydrophobicContact CD1-CD1 4.03Å; Y161-I192 HydrophobicContact CD1-CG1 4.21Å; Y161-I192 HydrophobicContact CE1-CB 4.41Å; Y161-I192 HydrophobicContact CE1-CG1 4.3Å; A162-I192 HydrophobicContact CB-CG2 4.18Å; V189-I192 HydrophobicContact CG2-CG2 4.46Å; V189-I192 VanDerWaalsContact O-CG2 3.23Å; V189-I192 WeakPolarHBondContact O-CG2 3.39Å; V189-I192 PolarHBondContact O-N 3.11Å; V189-I192 VanDerWaalsContact O-O 3.13Å; I192-K194 VanDerWaalsContact C-N 3.28Å; I192-K194 HydrophobicContact CD1-CB 4.27Å; I192-K194 HydrophobicContact CD1-CD 4.36Å; I192-K194 HydrophobicContact CG1-CB 4.04Å; I192-K194 HydrophobicContact CG2-CB 4.33Å; I192-K194 PolarHBondContact O-N 2.86Å; I192-Q196 PolarHBondContact O-NE2 3.16Å; I192-F199 HydrophobicContact CG2-CZ 4.25Å
193	R	98.9	Very high	98.8	Very high	3 Å²	3	14.1 Å²	14.1	1%	0.011	8%	0.075	C	C	.	.	B	Isolated β-bridge	trans	-82.3	76.3	173.8	-66	-52	-54.4	145.1	-2.7	110.6	N131 M132 M427 F428 F439 T442 V443 E446	N131-R193 WeakPolarHBondContact CA-O 3.5Å; N131-R193 HydrophobicContact CB-CB 3.91Å; N131-R193 WeakPolarHBondContact ND2-CB 3.38Å; M132-R193 WeakPolarHBondContact CB-O 3.24Å; M132-R193 PolarHBondContact N-O 3.32Å; R193-M427 VanDerWaalsContact CZ-O 3.31Å; R193-M427 PolarHBondContact NH1-O 3.26Å; R193-M427 PolarHBondContact NH2-O 2.91Å; R193-F428 VanDerWaalsContact CZ-CE1 3.5Å; R193-F428 VanDerWaalsContact CZ-CZ 3.45Å; R193-F428 VanDerWaalsContact NH1-CE1 3.29Å; R193-F439 HydrophobicContact CG-CE2 4.09Å; R193-F439 HydrophobicContact CG-CZ 4.38Å; R193-T442 HydrophobicContact CG-CG2 3.96Å; R193-V443 HydrophobicContact CG-CG2 4.23Å; R193-E446 IonicContact CZ-OE1 2.73Å; R193-E446 IonicContact CZ-OE2 2.64Å; R193-E446 IonicContact NE-OE1 3.81Å; R193-E446 IonicContact NE-OE2 3.22Å; R193-E446 PolarHBondContact NE-OE2 3.12Å; R193-E446 IonicContact NH2-OE1 3.35Å; R193-E446 PolarHBondContact NH2-OE1 2.86Å; R193-E446 IonicContact NH2-OE2 3.62Å; R193-E446 PolarHBondContact NH2-OE2 3.15Å
194	K	98.9	Very high	98.8	Very high	2 Å²	2	13.1 Å²	13.1	1%	0.009	7%	0.071	C	C	.	.	S	Bend	trans	-134.4	166	178.5	178.1	173.2	173.7	58.3	0	109	D114 M132 P158 I192 Q196 S198 F199 T209	D114-K194 IonicContact OD1-NZ 3.52Å; D114-K194 PolarHBondContact OD1-NZ 3.11Å; D114-K194 IonicContact OD2-NZ 3.68Å; D114-K194 PolarHBondContact OD2-NZ 2.91Å; M132-K194 HydrophobicContact SD-CG 4.03Å; P158-K194 HydrophobicContact CB-CD 4.16Å; I192-K194 VanDerWaalsContact C-N 3.28Å; I192-K194 HydrophobicContact CD1-CB 4.27Å; I192-K194 HydrophobicContact CD1-CD 4.36Å; I192-K194 HydrophobicContact CG1-CB 4.04Å; I192-K194 HydrophobicContact CG2-CB 4.33Å; I192-K194 PolarHBondContact O-N 2.86Å; K194-Q196 PolarHBondContact O-N 3.29Å; K194-Q196 VanDerWaalsContact O-N 3.11Å; K194-Q196 PolarHBondContact O-NE2 3.2Å; K194-S198 WeakPolarHBondContact CE-OG 3.32Å; K194-F199 HydrophobicContact CD-CE1 4.31Å; K194-T209 PolarHBondContact NZ-O 3.26Å
195	E	98.8	Very high	98.8	Very high	6 Å²	6	10.7 Å²	10.7	3%	0.028	6%	0.06	C	C	.	.			trans	-43.8	118	165.4	-178.2	-173.6	146.1	0	0	110.3	M132 S197 S198 P370 G404 V405	M132-E195 HydrophobicContact SD-CB 4.14Å; E195-S197 VanDerWaalsContact C-N 3.35Å; E195-S197 WeakPolarHBondContact CG-OG 3.48Å; E195-S197 PolarHBondContact O-N 2.9Å; E195-S197 PolarHBondContact OE1-OG 3.44Å; E195-S198 WeakPolarHBondContact O-CB 3.2Å; E195-S198 PolarHBondContact O-N 2.81Å; E195-S198 PolarHBondContact O-OG 2.86Å; E195-P370 HydrophobicContact CG-CG 4.42Å; E195-G404 WeakPolarHBondContact CA-O 3.43Å; E195-V405 HydrophobicContact CB-CG1 3.85Å; E195-V405 HydrophobicContact CG-CG1 3.97Å
196	Q	98.9	Very high	98.8	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.005	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	-70.7	-32.9	-173.5	-60.4	-65.2	-72.3	0	0	111.6	V189 I192 K194 S198 G403 Y433	V189-Q196 WeakPolarHBondContact CG2-O 3.44Å; I192-Q196 PolarHBondContact O-NE2 3.16Å; K194-Q196 PolarHBondContact O-N 3.29Å; K194-Q196 VanDerWaalsContact O-N 3.11Å; K194-Q196 PolarHBondContact O-NE2 3.2Å; Q196-S198 PolarHBondContact O-N 2.63Å; Q196-G403 WeakPolarHBondContact CA-O 3.3Å; Q196-G403 PolarHBondContact N-O 3.18Å; Q196-Y433 PolarHBondContact OE1-OH 3.49Å
197	S	98.8	Very high	98.8	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.007	6%	0.055	C	C	.	.	G	3₁₀ helix	trans	-71.4	-9.8	174.3	49.1	0	0	0	0	114.4	E195 F199 S200 G403	E195-S197 VanDerWaalsContact C-N 3.35Å; E195-S197 WeakPolarHBondContact CG-OG 3.48Å; E195-S197 PolarHBondContact O-N 2.9Å; E195-S197 PolarHBondContact OE1-OG 3.44Å; S197-F199 PolarHBondContact O-N 2.83Å; S197-S200 CarbonylContact O-C 3.59Å; S197-S200 PolarHBondContact O-N 2.76Å; S197-S200 VanDerWaalsContact O-N 3.11Å; S197-G403 PolarHBondContact N-O 2.7Å; S197-G403 PolarHBondContact OG-O 2.86Å
198	S	98.9	Very high	98.8	Very high	8 Å²	8	8.5 Å²	8.5	6%	0.056	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	-66.6	-18.3	-178.8	67.8	0	0	0	0	113.9	K194 E195 Q196 S200 F207 P208	K194-S198 WeakPolarHBondContact CE-OG 3.32Å; E195-S198 WeakPolarHBondContact O-CB 3.2Å; E195-S198 PolarHBondContact O-N 2.81Å; E195-S198 PolarHBondContact O-OG 2.86Å; Q196-S198 PolarHBondContact O-N 2.63Å; S198-S200 VanDerWaalsContact C-N 3.29Å; S198-F207 CarbonylContact O-C 3.58Å; S198-F207 PolarHBondContact O-N 3.11Å; S198-F207 VanDerWaalsContact O-N 3.11Å; S198-P208 WeakPolarHBondContact O-CD 3.47Å; S198-P208 WeakPolarHBondContact O-CG 3.3Å
199	F	98.8	Very high	98.8	Very high	2 Å²	2	7.3 Å²	7.3	1%	0.009	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	10.8	177.8	-82.1	42.3	0	0	0	112.9	P158 V159 A162 G185 E186 C187 V189 I192 K194 S197 S206 P208	P158-F199 HydrophobicContact CB-CE1 4.27Å; P158-F199 HydrophobicContact CB-CZ 4.27Å; V159-F199 HydrophobicContact CG2-CE2 4.34Å; V159-F199 HydrophobicContact CG2-CZ 4.17Å; A162-F199 HydrophobicContact CB-CE2 4.19Å; A162-F199 HydrophobicContact CB-CZ 4.32Å; G185-F199 CarbonylContact C-O 3.51Å; G185-F199 WeakPolarHBondContact CA-O 3.37Å; E186-F199 HydrophobicContact CB-CB 4.14Å; E186-F199 HydrophobicContact CB-CD2 3.43Å; E186-F199 VanDerWaalsContact CB-CD2 3.43Å; E186-F199 HydrophobicContact CB-CE2 4Å; E186-F199 HydrophobicContact CB-CG 3.89Å; E186-F199 PolarHBondContact N-O 2.67Å; C187-F199 WeakPolarHBondContact O-CD2 3.23Å; C187-F199 VanDerWaalsContact O-CE2 3.32Å; C187-F199 WeakPolarHBondContact O-CE2 3.43Å; V189-F199 HydrophobicContact CB-CB 3.83Å; V189-F199 HydrophobicContact CB-CD1 4.26Å; V189-F199 HydrophobicContact CB-CD2 3.63Å; V189-F199 HydrophobicContact CB-CE2 4.24Å; V189-F199 HydrophobicContact CB-CG 3.66Å; V189-F199 HydrophobicContact CG2-CB 3.91Å; V189-F199 HydrophobicContact CG2-CD1 3.74Å; V189-F199 HydrophobicContact CG2-CD2 4.04Å; V189-F199 HydrophobicContact CG2-CE1 4.23Å; V189-F199 HydrophobicContact CG2-CG 3.63Å; I192-F199 HydrophobicContact CG2-CZ 4.25Å; K194-F199 HydrophobicContact CD-CE1 4.31Å; S197-F199 PolarHBondContact O-N 2.83Å; F199-S206 VanDerWaalsContact C-OG 3.24Å; F199-S206 PolarHBondContact O-OG 2.92Å; F199-P208 HydrophobicContact CD1-CB 3.79Å; F199-P208 HydrophobicContact CD1-CG 3.56Å; F199-P208 HydrophobicContact CE1-CB 3.54Å; F199-P208 HydrophobicContact CE1-CG 3.78Å; F199-P208 HydrophobicContact CG-CG 4.14Å; F199-P208 HydrophobicContact CZ-CB 4.32Å; F199-P208 HydrophobicContact CZ-CG 4.49Å
200	S	98.9	Very high	98.8	Very high	4 Å²	4	6.2 Å²	6.2	3%	0.028	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	97.8	156.9	-165.5	81.5	0	0	0	0	113.5	Q183 G185 S197 S198 G204 P205	Q183-S200 VanDerWaalsContact CB-OG 3.3Å; Q183-S200 WeakPolarHBondContact CB-OG 3.34Å; Q183-S200 WeakPolarHBondContact O-CB 3.22Å; Q183-S200 PolarHBondContact OE1-OG 3.14Å; G185-S200 VanDerWaalsContact CA-OG 3.23Å; G185-S200 WeakPolarHBondContact CA-OG 3.37Å; S197-S200 CarbonylContact O-C 3.59Å; S197-S200 PolarHBondContact O-N 2.76Å; S197-S200 VanDerWaalsContact O-N 3.11Å; S198-S200 VanDerWaalsContact C-N 3.29Å; S200-G204 WeakPolarHBondContact CA-O 3.42Å; S200-P205 WeakPolarHBondContact CA-O 3.26Å
201	W	98.9	Very high	98.8	Very high	36 Å²	36	6.2 Å²	6.2	14%	0.136	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	174.7	165.6	-151.3	-95	0	0	0	109.1	W203 G204 W401 A429 C430 H598	W201-W203 HydrophobicContact CB-CD2 4.24Å; W201-W203 HydrophobicContact CB-CH2 4.41Å; W201-W203 HydrophobicContact CB-CZ2 4.08Å; W201-W203 AromaticContact CD1-CD1 3.64Å; W201-W203 AromaticContact CD1-CE2 3.47Å; W201-W203 VanDerWaalsContact CD1-CE2 3.47Å; W201-W203 AromaticContact CD1-CZ2 3.88Å; W201-W203 AromaticContact CD1-NE1 3.04Å; W201-W203 AromaticContact CG-CE2 3.88Å; W201-W203 AromaticContact CG-CZ2 3.97Å; W201-W203 HydrophobicContact CG-CZ2 3.97Å; W201-W203 AromaticContact CG-NE1 3.9Å; W201-W203 AromaticContact NE1-NE1 3.72Å; W201-W203 PolarHBondContact O-N 3.35Å; W201-G204 PolarHBondContact N-O 2.86Å; W201-G204 PolarHBondContact O-N 2.96Å; W201-G204 VanDerWaalsContact O-N 3.09Å; W201-W401 AromaticContact CD2-CH2 3.69Å; W201-W401 HydrophobicContact CD2-CH2 3.69Å; W201-W401 HydrophobicContact CD2-CZ2 4.29Å; W201-W401 AromaticContact CE2-CH2 3.44Å; W201-W401 VanDerWaalsContact CE2-CH2 3.44Å; W201-W401 AromaticContact CE2-CZ2 3.56Å; W201-W401 HydrophobicContact CE3-CH2 4Å; W201-W401 HydrophobicContact CG-CH2 4.31Å; W201-W401 AromaticContact CH2-CH2 3.85Å; W201-W401 HydrophobicContact CH2-CH2 3.85Å; W201-W401 AromaticContact CH2-CZ2 3.84Å; W201-W401 HydrophobicContact CH2-CZ2 3.84Å; W201-W401 AromaticContact CZ2-CH2 3.56Å; W201-W401 HydrophobicContact CZ2-CH2 3.56Å; W201-W401 AromaticContact CZ2-CZ2 3.33Å; W201-W401 HydrophobicContact CZ2-CZ2 3.33Å; W201-W401 HydrophobicContact CZ3-CH2 4.07Å; W201-W401 AromaticContact NE1-CH2 3.92Å; W201-W401 AromaticContact NE1-CZ2 3.95Å; W201-A429 HydrophobicContact CH2-CB 4.12Å; W201-C430 HydrophobicContact CH2-CB 3.78Å; W201-C430 HydrophobicContact CZ2-CB 3.92Å; W201-H598 WeakPolarHBondContact O-CB 3.03Å; W201-H598 PolarHBondContact O-ND1 2.74Å; W201-H598 VanDerWaalsContact O-ND1 3.11Å
202	D	98.6	Very high	98.8	Very high	33 Å²	33	6.1 Å²	6.1	18%	0.176	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-2.1	179.7	70.5	-2	0	0	0	115	H598 H599 W679	D202-H598 WeakPolarHBondContact CA-O 3.31Å; D202-H598 CarbonylContact O-C 3.59Å; D202-H598 VanDerWaalsContact O-C 3.26Å; D202-H598 WeakPolarHBondContact O-CB 3.31Å; D202-H599 HydrophobicContact CB-CB 4.47Å; D202-H599 PolarHBondContact O-N 3.45Å; D202-H599 IonicContact OD2-ND1 3.03Å; D202-W679 HydrophobicContact CB-CH2 4.33Å; D202-W679 HydrophobicContact CB-CZ3 4.46Å; D202-W679 WeakPolarHBondContact OD1-CZ3 3.21Å; D202-W679 VanDerWaalsContact OD2-CH2 3.27Å; D202-W679 WeakPolarHBondContact OD2-CH2 3.48Å
203	W	98.8	Very high	98.7	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131	-2.6	170.7	47.3	-104	0	0	0	113.7	W201 I369 W401 W668 I673 W674 W679	W201-W203 HydrophobicContact CB-CD2 4.24Å; W201-W203 HydrophobicContact CB-CH2 4.41Å; W201-W203 HydrophobicContact CB-CZ2 4.08Å; W201-W203 AromaticContact CD1-CD1 3.64Å; W201-W203 AromaticContact CD1-CE2 3.47Å; W201-W203 VanDerWaalsContact CD1-CE2 3.47Å; W201-W203 AromaticContact CD1-CZ2 3.88Å; W201-W203 AromaticContact CD1-NE1 3.04Å; W201-W203 AromaticContact CG-CE2 3.88Å; W201-W203 AromaticContact CG-CZ2 3.97Å; W201-W203 HydrophobicContact CG-CZ2 3.97Å; W201-W203 AromaticContact CG-NE1 3.9Å; W201-W203 AromaticContact NE1-NE1 3.72Å; W201-W203 PolarHBondContact O-N 3.35Å; W203-I369 HydrophobicContact CD2-CD1 3.93Å; W203-I369 HydrophobicContact CE3-CD1 3.45Å; W203-I369 VanDerWaalsContact CE3-CD1 3.45Å; W203-I369 HydrophobicContact CH2-CB 3.94Å; W203-I369 HydrophobicContact CH2-CD1 3.68Å; W203-I369 HydrophobicContact CH2-CG1 4.46Å; W203-I369 HydrophobicContact CH2-CG2 4.13Å; W203-I369 HydrophobicContact CZ2-CB 4.13Å; W203-I369 HydrophobicContact CZ2-CD1 4.11Å; W203-I369 HydrophobicContact CZ2-CG2 3.79Å; W203-I369 HydrophobicContact CZ3-CB 4.44Å; W203-I369 HydrophobicContact CZ3-CD1 3.32Å; W203-I369 HydrophobicContact CZ3-CG1 4.49Å; W203-W401 HydrophobicContact CH2-CZ3 4.26Å; W203-W401 HydrophobicContact CZ2-CE3 4.3Å; W203-W401 HydrophobicContact CZ2-CH2 4.18Å; W203-W401 AromaticContact CZ2-CZ3 3.73Å; W203-W401 HydrophobicContact CZ2-CZ3 3.73Å; W203-W668 AromaticContact NE1-CZ2 3.37Å; W203-I673 HydrophobicContact CE3-CB 4.26Å; W203-I673 HydrophobicContact CE3-CG2 3.62Å; W203-I673 HydrophobicContact CZ3-CB 3.87Å; W203-I673 HydrophobicContact CZ3-CD1 4.04Å; W203-I673 HydrophobicContact CZ3-CG2 3.59Å; W203-W674 VanDerWaalsContact O-CD1 3.24Å; W203-W674 PolarHBondContact O-NE1 2.62Å; W203-W679 HydrophobicContact CB-CE3 4.49Å; W203-W679 HydrophobicContact CB-CZ3 4.3Å
204	G	98.6	Very high	98.7	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.01	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	147.8	-166	0	0	0	0	0	114.3	S200 W201 H598	S200-G204 WeakPolarHBondContact CA-O 3.42Å; W201-G204 PolarHBondContact N-O 2.86Å; W201-G204 PolarHBondContact O-N 2.96Å; W201-G204 VanDerWaalsContact O-N 3.09Å; G204-H598 PolarHBondContact O-CE1 3.02Å; G204-H598 VanDerWaalsContact O-CE1 3.23Å; G204-H598 PolarHBondContact O-ND1 3.22Å
205	P	98.8	Very high	98.6	Very high	2 Å²	2	9.1 Å²	9.1	1%	0.013	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	165.4	-176.9	34.9	-33.5	0	0	0	112.4	Y72 D77 S200 F207 S373 W674	Y72-P205 HydrophobicContact CE1-CG 4.25Å; D77-P205 HydrophobicContact CB-CB 4.43Å; S200-P205 WeakPolarHBondContact CA-O 3.26Å; P205-F207 HydrophobicContact CB-CD2 3.83Å; P205-F207 HydrophobicContact CB-CE2 3.62Å; P205-F207 HydrophobicContact CG-CD2 3.61Å; P205-F207 HydrophobicContact CG-CE2 3.67Å; P205-F207 PolarHBondContact O-N 2.84Å; P205-S373 WeakPolarHBondContact CG-OG 3.46Å; P205-W674 HydrophobicContact CB-CD2 3.85Å; P205-W674 HydrophobicContact CB-CE3 3.69Å; P205-W674 HydrophobicContact CB-CH2 3.85Å; P205-W674 HydrophobicContact CB-CZ2 4.01Å; P205-W674 HydrophobicContact CB-CZ3 3.7Å; P205-W674 HydrophobicContact CG-CB 4.38Å; P205-W674 HydrophobicContact CG-CD2 3.69Å; P205-W674 HydrophobicContact CG-CE3 3.84Å; P205-W674 HydrophobicContact CG-CG 3.95Å; P205-W674 HydrophobicContact CG-CZ3 4.37Å
206	S	98.8	Very high	98.6	Very high	12 Å²	12	8.9 Å²	8.9	8%	0.084	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	99.5	170.5	-157.1	0	0	0	0	111	E186 F199	E186-S206 WeakPolarHBondContact CG-OG 3.42Å; F199-S206 VanDerWaalsContact C-OG 3.24Å; F199-S206 PolarHBondContact O-OG 2.92Å
207	F	98.8	Very high	98.6	Very high	5 Å²	5	10.3 Å²	10.3	2%	0.022	5%	0.052	C	C	.	.			trans	-129.6	74.6	166.9	-66	-66.8	0	0	0	111	H59 P71 Y72 D77 S198 P205 T209 F374	H59-F207 AromaticContact CD2-CD1 3.92Å; H59-F207 AromaticContact NE2-CD1 3.73Å; P71-F207 HydrophobicContact CB-CD1 4.44Å; P71-F207 HydrophobicContact CB-CE1 3.75Å; P71-F207 HydrophobicContact CB-CE2 4.31Å; P71-F207 HydrophobicContact CB-CZ 3.7Å; P71-F207 VanDerWaalsContact O-CZ 3.23Å; P71-F207 WeakPolarHBondContact O-CZ 3.49Å; Y72-F207 HydrophobicContact CD1-CD2 4.44Å; Y72-F207 AromaticContact CD1-CE2 3.7Å; Y72-F207 HydrophobicContact CD1-CE2 3.7Å; Y72-F207 HydrophobicContact CD1-CZ 4.38Å; Y72-F207 AromaticContact CE1-CD2 3.98Å; Y72-F207 HydrophobicContact CE1-CD2 3.98Å; Y72-F207 AromaticContact CE1-CE2 3.68Å; Y72-F207 HydrophobicContact CE1-CE2 3.68Å; D77-F207 VanDerWaalsContact CA-CZ 3.44Å; D77-F207 HydrophobicContact CB-CE1 4.12Å; D77-F207 HydrophobicContact CB-CE2 4.19Å; D77-F207 HydrophobicContact CB-CZ 3.62Å; S198-F207 CarbonylContact O-C 3.58Å; S198-F207 PolarHBondContact O-N 3.11Å; S198-F207 VanDerWaalsContact O-N 3.11Å; P205-F207 HydrophobicContact CB-CD2 3.83Å; P205-F207 HydrophobicContact CB-CE2 3.62Å; P205-F207 HydrophobicContact CG-CD2 3.61Å; P205-F207 HydrophobicContact CG-CE2 3.67Å; P205-F207 PolarHBondContact O-N 2.84Å; F207-T209 PolarHBondContact O-N 2.89Å; F207-F374 HydrophobicContact CB-CE1 3.84Å; F207-F374 HydrophobicContact CB-CZ 4.1Å; F207-F374 HydrophobicContact CD1-CZ 4.32Å; F207-F374 HydrophobicContact CD2-CZ 4.27Å; F207-F374 HydrophobicContact CG-CE1 4.24Å; F207-F374 AromaticContact CG-CZ 3.98Å; F207-F374 HydrophobicContact CG-CZ 3.98Å
208	P	98.7	Very high	98.5	Very high	2 Å²	2	10.3 Å²	10.3	1%	0.013	5%	0.051	C	C	.	.			trans	-68.1	71.9	173.6	-19.6	34.1	0	0	0	111.7	A84 P158 V159 E186 S198 F199	A84-P208 HydrophobicContact CB-CB 4.14Å; A84-P208 HydrophobicContact CB-CG 4.36Å; P158-P208 HydrophobicContact CB-CB 4.48Å; P158-P208 HydrophobicContact CG-CB 3.67Å; P158-P208 VanDerWaalsContact CG-O 3.25Å; P158-P208 WeakPolarHBondContact CG-O 3.31Å; V159-P208 HydrophobicContact CG2-CB 3.99Å; V159-P208 HydrophobicContact CG2-CG 3.89Å; E186-P208 HydrophobicContact CG-CG 4.09Å; S198-P208 WeakPolarHBondContact O-CD 3.47Å; S198-P208 WeakPolarHBondContact O-CG 3.3Å; F199-P208 HydrophobicContact CD1-CB 3.79Å; F199-P208 HydrophobicContact CD1-CG 3.56Å; F199-P208 HydrophobicContact CE1-CB 3.54Å; F199-P208 HydrophobicContact CE1-CG 3.78Å; F199-P208 HydrophobicContact CG-CG 4.14Å; F199-P208 HydrophobicContact CZ-CB 4.32Å; F199-P208 HydrophobicContact CZ-CG 4.49Å
209	T	98.7	Very high	98.4	Very high	6 Å²	6	10 Å²	10	4%	0.037	5%	0.049	C	C	.	.			trans	-69.9	166	-176.8	-159.7	0	0	0	0	111.2	C57 H59 K194 F207 F374	C57-T209 HydrophobicContact CB-CG2 3.81Å; C57-T209 WeakPolarHBondContact CB-OG1 3.49Å; H59-T209 WeakPolarHBondContact ND1-CB 3.47Å; H59-T209 PolarHBondContact ND1-OG1 3.46Å; K194-T209 PolarHBondContact NZ-O 3.26Å; F207-T209 PolarHBondContact O-N 2.89Å; T209-F374 HydrophobicContact CG2-CD1 4.2Å
210	M	98.8	Very high	98.3	Very high	1 Å²	1	10 Å²	10	1%	0.005	5%	0.049	C	C	.	.			trans	-122	150.3	170.2	-70.2	153.3	-81.7	0	0	108.9	C57 V58 I83 D86 W88 D114 F155 P158	C57-M210 CarbonylContact C-O 3.58Å; C57-M210 WeakPolarHBondContact CA-O 3.5Å; C57-M210 WeakPolarHBondContact CB-O 3.4Å; V58-M210 HydrophobicContact CG2-CB 4.05Å; V58-M210 WeakPolarHBondContact CG2-O 3.29Å; V58-M210 PolarHBondContact N-O 3.41Å; I83-M210 VanDerWaalsContact O-CE 3.29Å; I83-M210 WeakPolarHBondContact O-CE 3.42Å; D86-M210 WeakPolarHBondContact O-CE 3.37Å; W88-M210 HydrophobicContact CG-CE 4.38Å; D114-M210 CarbonylContact O-C 3.56Å; D114-M210 VanDerWaalsContact O-CA 3.24Å; D114-M210 WeakPolarHBondContact O-CA 3.47Å; F155-M210 HydrophobicContact CB-CB 4.08Å; F155-M210 HydrophobicContact CB-CG 4.07Å; F155-M210 HydrophobicContact CB-SD 3.99Å; F155-M210 HydrophobicContact CD1-CB 4.11Å; F155-M210 HydrophobicContact CD1-CG 4.43Å; F155-M210 HydrophobicContact CG-CB 4.07Å; F155-M210 HydrophobicContact CG-CG 4.48Å; P158-M210 HydrophobicContact CG-CG 4.46Å
211	G	98.4	Very high	98.2	Very high	1 Å²	1	9.8 Å²	9.8	1%	0.01	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.1	175.6	174.4	0	0	0	0	0	115.8	D114 F155 W213	D114-G211 PolarHBondContact N-O 2.93Å; D114-G211 PolarHBondContact O-N 3.49Å; F155-G211 VanDerWaalsContact CZ-C 3.47Å; F155-G211 WeakPolarHBondContact CZ-O 3.48Å; G211-W213 PolarHBondContact O-N 3.28Å
212	L	98.8	Very high	98	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	81.4	171	-65.8	168.8	0	0	0	106.9	W39 V54 P55 G56 Y90 F110 V113 V153 F155 K214 V216	W39-L212 HydrophobicContact CD2-CD1 4.47Å; W39-L212 HydrophobicContact CE3-CD1 4.2Å; W39-L212 HydrophobicContact CH2-CD1 3.73Å; W39-L212 HydrophobicContact CZ2-CD1 4.08Å; W39-L212 HydrophobicContact CZ3-CD1 3.82Å; V54-L212 HydrophobicContact CG1-CB 3.71Å; V54-L212 HydrophobicContact CG1-CD1 4.08Å; V54-L212 HydrophobicContact CG2-CB 4.09Å; V54-L212 HydrophobicContact CG2-CD1 3.78Å; P55-L212 CarbonylContact C-O 3.57Å; P55-L212 WeakPolarHBondContact CA-O 3.29Å; G56-L212 PolarHBondContact N-O 2.81Å; G56-L212 CarbonylContact O-C 3.52Å; G56-L212 PolarHBondContact O-N 3.05Å; G56-L212 VanDerWaalsContact O-N 3.16Å; Y90-L212 HydrophobicContact CD1-CD1 4.36Å; Y90-L212 HydrophobicContact CG-CD1 4.38Å; F110-L212 HydrophobicContact CD1-CD2 3.77Å; F110-L212 HydrophobicContact CE1-CD2 3.91Å; V113-L212 HydrophobicContact CG1-CD2 4.32Å; V113-L212 HydrophobicContact CG2-CD2 4Å; V153-L212 HydrophobicContact CG1-CD2 4.3Å; V153-L212 HydrophobicContact CG2-CD1 4.39Å; V153-L212 HydrophobicContact CG2-CD2 4.43Å; F155-L212 HydrophobicContact CE2-CG 4.46Å; F155-L212 HydrophobicContact CZ-CD2 4.09Å; F155-L212 HydrophobicContact CZ-CG 4.16Å; L212-K214 PolarHBondContact O-N 2.99Å; L212-V216 HydrophobicContact CD1-CG2 4.15Å; L212-V216 HydrophobicContact CD2-CG2 4.3Å
213	W	98.3	Very high	97.8	Very high	23 Å²	23	10.4 Å²	10.4	9%	0.087	5%	0.054	C	C	.	.			trans	-73	-14.4	-170.6	79.5	-72.1	0	0	0	113.9	D114 M132 G211 Q375	D114-W213 HydrophobicContact CB-CB 4.38Å; D114-W213 HydrophobicContact CB-CG 4.33Å; M132-W213 HydrophobicContact CE-CD2 3.79Å; M132-W213 HydrophobicContact CE-CE3 3.92Å; M132-W213 HydrophobicContact CE-CG 4.26Å; M132-W213 HydrophobicContact CE-CH2 4.24Å; M132-W213 HydrophobicContact CE-CZ2 4.15Å; M132-W213 HydrophobicContact CE-CZ3 4.13Å; M132-W213 HydrophobicContact CG-CZ2 4.11Å; M132-W213 WeakPolarHBondContact O-CZ2 3.46Å; M132-W213 PolarHBondContact O-NE1 3.03Å; G211-W213 PolarHBondContact O-N 3.28Å; W213-Q375 HydrophobicContact CE3-CB 3.79Å; W213-Q375 HydrophobicContact CE3-CG 3.83Å; W213-Q375 HydrophobicContact CZ3-CB 4.33Å; W213-Q375 HydrophobicContact CZ3-CG 4.05Å
214	K	98.1	Very high	97.6	Very high	37 Å²	37	10.6 Å²	10.6	16%	0.161	6%	0.055	C	C	.	.	S	Bend	trans	-127.1	177.3	169.2	-63.9	-172.7	172.6	-177.2	0	111.3	D111 G112 L212	D111-K214 HydrophobicContact CB-CB 3.64Å; D111-K214 HydrophobicContact CB-CD 4.17Å; D111-K214 WeakPolarHBondContact O-CD 3.3Å; G112-K214 PolarHBondContact O-N 2.9Å; L212-K214 PolarHBondContact O-N 2.99Å
215	G	96.7	Very high	97.4	Very high	10 Å²	10	10.7 Å²	10.7	10%	0.103	6%	0.055	C	C	.	.			trans	-67.3	154	-171.4	0	0	0	0	0	115	N36 D111	N36-G215 WeakPolarHBondContact OD1-CA 3.23Å; D111-G215 PolarHBondContact N-O 3.41Å
216	V	98.6	Very high	97.2	Very high	2 Å²	2	11.5 Å²	11.5	1%	0.012	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	136.8	174.4	-172.5	0	0	0	0	109.3	L35 N36 W39 V54 L108 V109 F110 L151 L212	L35-V216 WeakPolarHBondContact CA-O 3.42Å; L35-V216 HydrophobicContact CB-CB 4.23Å; L35-V216 HydrophobicContact CB-CG1 4.16Å; L35-V216 HydrophobicContact CD1-CG1 4.21Å; L35-V216 PolarHBondContact N-O 3.46Å; N36-V216 PolarHBondContact OD1-N 3.07Å; N36-V216 PolarHBondContact OD1-O 2.92Å; W39-V216 HydrophobicContact CZ2-CB 4.34Å; W39-V216 HydrophobicContact CZ2-CG1 4.36Å; W39-V216 HydrophobicContact CZ2-CG2 4.36Å; V54-V216 HydrophobicContact CG1-CG2 3.97Å; L108-V216 HydrophobicContact CD1-CG1 4.07Å; V109-V216 WeakPolarHBondContact O-CA 3.49Å; F110-V216 HydrophobicContact CD1-CB 4.32Å; F110-V216 HydrophobicContact CD1-CG1 3.89Å; F110-V216 HydrophobicContact CD1-CG2 3.53Å; F110-V216 HydrophobicContact CE1-CB 4.39Å; F110-V216 HydrophobicContact CE1-CG1 3.65Å; F110-V216 HydrophobicContact CE1-CG2 3.76Å; F110-V216 HydrophobicContact CG-CG1 4.44Å; F110-V216 HydrophobicContact CG-CG2 4.47Å; F110-V216 HydrophobicContact CZ-CG1 4.04Å; L151-V216 HydrophobicContact CD2-CG1 4.39Å; L212-V216 HydrophobicContact CD1-CG2 4.15Å; L212-V216 HydrophobicContact CD2-CG2 4.3Å
217	R	98.1	Very high	97	Very high	30 Å²	30	11.9 Å²	11.9	11%	0.113	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	151.7	179	60.5	-174.2	172.4	-75.3	1.8	112.8	Q32 L33 V109 D111 E219	Q32-R217 HydrophobicContact CG-CB 4.35Å; Q32-R217 VanDerWaalsContact NE2-CD 3.28Å; L33-R217 CarbonylContact O-C 3.59Å; L33-R217 VanDerWaalsContact O-CA 3.32Å; L33-R217 WeakPolarHBondContact O-CA 3.39Å; L33-R217 WeakPolarHBondContact O-CB 3.24Å; V109-R217 HydrophobicContact CB-CG 3.87Å; V109-R217 HydrophobicContact CG1-CG 4.45Å; V109-R217 VanDerWaalsContact CG1-CZ 3.48Å; V109-R217 VanDerWaalsContact CG1-NH2 3.33Å; V109-R217 PolarHBondContact N-O 2.91Å; V109-R217 PolarHBondContact O-N 2.59Å; D111-R217 IonicContact OD1-CZ 3.36Å; D111-R217 VanDerWaalsContact OD1-CZ 3.25Å; D111-R217 IonicContact OD1-NH1 3.21Å; D111-R217 PolarHBondContact OD1-NH1 2.85Å; D111-R217 IonicContact OD1-NH2 2.81Å; D111-R217 PolarHBondContact OD1-NH2 2.75Å; D111-R217 IonicContact OD2-CZ 3.83Å; D111-R217 IonicContact OD2-NH1 2.78Å; D111-R217 PolarHBondContact OD2-NH1 2.98Å; D111-R217 IonicContact OD2-NH2 3.76Å; R217-E219 VanDerWaalsContact CD-OE1 3.32Å; R217-E219 WeakPolarHBondContact CD-OE1 3.19Å; R217-E219 HydrophobicContact CG-CG 4.07Å; R217-E219 IonicContact CZ-OE1 3.62Å; R217-E219 IonicContact NE-OE1 2.89Å; R217-E219 PolarHBondContact NE-OE1 2.99Å; R217-E219 IonicContact NH2-OE1 3.23Å
218	L	98.1	Very high	96.9	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.005	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	121.5	164.6	179.4	68.3	0	0	0	108.4	Q32 L33 F94 A96 I100 A106 L107 V140 L144	Q32-L218 WeakPolarHBondContact CA-O 3.31Å; L33-L218 HydrophobicContact CB-CB 4.29Å; L33-L218 PolarHBondContact N-O 3.38Å; L33-L218 PolarHBondContact O-N 3.35Å; F94-L218 HydrophobicContact CE2-CD2 3.86Å; A96-L218 HydrophobicContact CB-CD2 4.41Å; I100-L218 HydrophobicContact CD1-CD2 4.49Å; I100-L218 HydrophobicContact CG2-CD2 3.79Å; I100-L218 HydrophobicContact CG2-CG 4.43Å; A106-L218 HydrophobicContact CB-CD1 4.39Å; L107-L218 CarbonylContact O-C 3.54Å; L107-L218 WeakPolarHBondContact O-CA 3.49Å; V140-L218 HydrophobicContact CG2-CD1 3.6Å; L144-L218 HydrophobicContact CD1-CD2 4.36Å; L144-L218 HydrophobicContact CD2-CD2 4.26Å
219	E	96.8	Very high	96.8	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.009	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	133	174.3	-64.3	-164.6	-169.5	0	0	110.3	R30 Q32 A106 L107 V109 R217 Q225	R30-E219 VanDerWaalsContact CZ-CD 3.42Å; R30-E219 IonicContact CZ-OE1 3.51Å; R30-E219 IonicContact CZ-OE2 3.89Å; R30-E219 IonicContact NE-OE2 3.87Å; R30-E219 PolarHBondContact NE-OE2 3.26Å; R30-E219 IonicContact NH1-OE1 2.68Å; R30-E219 IonicContact NH1-OE2 3.94Å; R30-E219 PolarHBondContact NH1-OE2 2.96Å; R30-E219 IonicContact NH2-OE1 3.97Å; R30-E219 PolarHBondContact NH2-OE1 2.94Å; R30-E219 IonicContact NH2-OE2 2.79Å; R30-E219 PolarHBondContact NH2-OE2 2.75Å; R30-E219 VanDerWaalsContact NH2-OE2 3.09Å; Q32-E219 HydrophobicContact CG-CG 4.38Å; A106-E219 CarbonylContact C-O 3.58Å; A106-E219 VanDerWaalsContact CA-O 3.26Å; A106-E219 WeakPolarHBondContact CA-O 3.42Å; L107-E219 PolarHBondContact N-O 3.32Å; L107-E219 PolarHBondContact O-N 3.46Å; V109-E219 HydrophobicContact CG2-CG 4.27Å; R217-E219 VanDerWaalsContact CD-OE1 3.32Å; R217-E219 WeakPolarHBondContact CD-OE1 3.19Å; R217-E219 HydrophobicContact CG-CG 4.07Å; R217-E219 IonicContact CZ-OE1 3.62Å; R217-E219 IonicContact NE-OE1 2.89Å; R217-E219 PolarHBondContact NE-OE1 2.99Å; R217-E219 IonicContact NH2-OE1 3.23Å; E219-Q225 VanDerWaalsContact CD-NE2 3.33Å; E219-Q225 WeakPolarHBondContact OE2-CG 3.45Å; E219-Q225 PolarHBondContact OE2-NE2 3.33Å
220	A	96.4	Very high	96.7	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.008	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	134.6	178.6	0	0	0	0	0	111.7	L31 I100 K103 K105 A106	L31-A220 PolarHBondContact N-O 2.93Å; L31-A220 PolarHBondContact O-N 2.88Å; I100-A220 HydrophobicContact CB-CB 4.44Å; I100-A220 HydrophobicContact CG2-CB 3.82Å; K103-A220 HydrophobicContact CB-CB 3.86Å; K103-A220 HydrophobicContact CG-CB 3.72Å; K105-A220 CarbonylContact O-C 3.54Å; K105-A220 VanDerWaalsContact O-CA 3.24Å; K105-A220 WeakPolarHBondContact O-CA 3.43Å; A106-A220 HydrophobicContact CB-CB 4.04Å
221	F	95.6	Very high	96.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	161.1	-169.6	57.5	-86.2	0	0	0	111.4	Q104 K105 L107 L224 Q225 D253 V255	Q104-F221 PolarHBondContact N-O 3.34Å; K105-F221 HydrophobicContact CB-CD2 4.43Å; K105-F221 HydrophobicContact CB-CE1 4.4Å; K105-F221 HydrophobicContact CB-CE2 4.1Å; K105-F221 HydrophobicContact CB-CZ 4.09Å; K105-F221 HydrophobicContact CD-CE1 4.44Å; K105-F221 HydrophobicContact CD-CE2 3.94Å; K105-F221 HydrophobicContact CD-CZ 3.62Å; K105-F221 HydrophobicContact CG-CE1 4.22Å; K105-F221 HydrophobicContact CG-CE2 4.29Å; K105-F221 HydrophobicContact CG-CZ 3.86Å; K105-F221 PolarHBondContact N-O 2.95Å; K105-F221 PolarHBondContact O-N 2.64Å; L107-F221 HydrophobicContact CD1-CE1 4.12Å; L107-F221 HydrophobicContact CD1-CZ 4.39Å; L107-F221 HydrophobicContact CG-CE1 4.2Å; F221-L224 WeakPolarHBondContact CD2-O 3.48Å; F221-Q225 HydrophobicContact CD1-CB 3.83Å; F221-Q225 HydrophobicContact CD2-CB 4.22Å; F221-Q225 HydrophobicContact CE1-CB 3.55Å; F221-Q225 HydrophobicContact CE1-CG 4.24Å; F221-Q225 VanDerWaalsContact CE1-OE1 3.28Å; F221-Q225 HydrophobicContact CE2-CB 3.94Å; F221-Q225 HydrophobicContact CG-CB 4.15Å; F221-Q225 HydrophobicContact CZ-CB 3.59Å; F221-D253 WeakPolarHBondContact CE2-O 3.39Å; F221-D253 HydrophobicContact CZ-CB 4.39Å; F221-V255 HydrophobicContact CD2-CG2 3.63Å; F221-V255 HydrophobicContact CE2-CG2 3.57Å
222	D	94.9	Very high	96.5	Very high	49 Å²	49	15.5 Å²	15.5	26%	0.262	8%	0.078	S	C	.	.	S	Bend	trans	-108.4	-31.8	-173.5	-68.5	-49.1	0	0	0	112.9	E28 K103 Q104 V255	E28-D222 PolarHBondContact OE1-N 2.82Å; K103-D222 VanDerWaalsContact CA-OD1 3.3Å; K103-D222 WeakPolarHBondContact CA-OD1 3.47Å; K103-D222 VanDerWaalsContact CD-CG 3.41Å; K103-D222 VanDerWaalsContact CD-OD1 3.27Å; K103-D222 WeakPolarHBondContact CD-OD1 3.25Å; K103-D222 WeakPolarHBondContact CD-OD2 3.17Å; K103-D222 WeakPolarHBondContact CE-OD2 3.43Å; K103-D222 IonicContact NZ-OD2 2.58Å; K103-D222 PolarHBondContact NZ-OD2 2.85Å; Q104-D222 HydrophobicContact CG-CB 4.46Å; Q104-D222 PolarHBondContact N-OD1 3.14Å; Q104-D222 VanDerWaalsContact N-OD1 3.07Å; Q104-D222 PolarHBondContact OE1-O 3.04Å; D222-V255 WeakPolarHBondContact O-CB 3.3Å; D222-V255 WeakPolarHBondContact O-CG2 3.28Å
223	I	95.1	Very high	96.4	Very high	33 Å²	33	16.4 Å²	16.4	17%	0.169	8%	0.084	C	C	.	.	S	Bend	trans	-117.5	-57.7	-174.5	-56.8	166.3	0	0	0	109.4	E28 A254 V255 F258 L320 F323 V325	E28-I223 WeakPolarHBondContact OE1-CA 3.46Å; E28-I223 WeakPolarHBondContact OE1-CB 3.5Å; E28-I223 PolarHBondContact OE1-N 3.26Å; E28-I223 WeakPolarHBondContact OE2-CB 3.41Å; I223-A254 CarbonylContact O-C 3.34Å; I223-A254 WeakPolarHBondContact O-CA 3.38Å; I223-V255 PolarHBondContact O-N 2.82Å; I223-F258 HydrophobicContact CG2-CD1 3.91Å; I223-F258 HydrophobicContact CG2-CE1 3.47Å; I223-F258 VanDerWaalsContact CG2-CE1 3.47Å; I223-F258 HydrophobicContact CG2-CZ 3.9Å; I223-L320 HydrophobicContact CD1-CD2 4.34Å; I223-F323 HydrophobicContact CD1-CD1 4.13Å; I223-F323 HydrophobicContact CD1-CE1 3.69Å; I223-V325 HydrophobicContact CD1-CG1 3.67Å; I223-V325 HydrophobicContact CG2-CG1 4.14Å
224	L	95	Very high	96.2	Very high	5 Å²	5	16.7 Å²	16.7	3%	0.026	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	163.9	-179.6	70.2	86.5	0	0	0	114.9	E28 F221 V252 D253 A254 F258 V325 L326	E28-L224 PolarHBondContact OE1-N 2.75Å; E28-L224 VanDerWaalsContact OE1-N 3.09Å; F221-L224 WeakPolarHBondContact CD2-O 3.48Å; L224-V252 HydrophobicContact CB-CG1 3.83Å; L224-V252 HydrophobicContact CD1-CG1 4.08Å; L224-V252 HydrophobicContact CD2-CG1 4.28Å; L224-V252 HydrophobicContact CG-CG1 4.29Å; L224-D253 CarbonylContact C-O 3.58Å; L224-D253 VanDerWaalsContact CA-O 3.24Å; L224-D253 WeakPolarHBondContact CA-O 3.48Å; L224-A254 HydrophobicContact CB-CB 4.35Å; L224-F258 HydrophobicContact CD2-CE1 4.13Å; L224-F258 HydrophobicContact CD2-CZ 3.67Å; L224-V325 HydrophobicContact CD2-CB 4.03Å; L224-V325 HydrophobicContact CD2-CG2 3.62Å; L224-V325 HydrophobicContact CG-CB 4.44Å; L224-L326 HydrophobicContact CD1-CB 4.25Å; L224-L326 HydrophobicContact CD1-CD1 4.46Å
225	Q	94.1	Very high	95.8	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.009	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	131	166.6	179.5	-161.8	-2.1	0	0	109.6	E219 F221 V227 V252 D253	E219-Q225 VanDerWaalsContact CD-NE2 3.33Å; E219-Q225 WeakPolarHBondContact OE2-CG 3.45Å; E219-Q225 PolarHBondContact OE2-NE2 3.33Å; F221-Q225 HydrophobicContact CD1-CB 3.83Å; F221-Q225 HydrophobicContact CD2-CB 4.22Å; F221-Q225 HydrophobicContact CE1-CB 3.55Å; F221-Q225 HydrophobicContact CE1-CG 4.24Å; F221-Q225 VanDerWaalsContact CE1-OE1 3.28Å; F221-Q225 HydrophobicContact CE2-CB 3.94Å; F221-Q225 HydrophobicContact CG-CB 4.15Å; F221-Q225 HydrophobicContact CZ-CB 3.59Å; Q225-V227 PolarHBondContact O-N 2.88Å; Q225-V252 WeakPolarHBondContact O-CA 3.35Å; Q225-D253 HydrophobicContact CB-CB 4.45Å; Q225-D253 PolarHBondContact N-O 2.91Å; Q225-D253 PolarHBondContact O-N 2.67Å
226	L	95.1	Very high	94.8	Very high	20 Å²	20	20.6 Å²	20.6	11%	0.105	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	114.6	164.2	180	69.4	0	0	0	109.1	Q228 L229 L250 V252 L326 K328	L226-Q228 WeakPolarHBondContact CD1-O 3.38Å; L226-L229 HydrophobicContact CD2-CB 4.09Å; L226-L250 HydrophobicContact CD1-CB 4.05Å; L226-L250 HydrophobicContact CD1-CD2 4.15Å; L226-V252 HydrophobicContact CD1-CG2 4.09Å; L226-L326 HydrophobicContact CB-CD1 3.63Å; L226-L326 HydrophobicContact CB-CD2 4.29Å; L226-L326 HydrophobicContact CD1-CD2 4.29Å; L226-L326 HydrophobicContact CD2-CD1 3.97Å; L226-L326 HydrophobicContact CD2-CD2 4.34Å; L226-L326 HydrophobicContact CG-CD1 4.37Å; L226-K328 HydrophobicContact CD2-CB 3.85Å; L226-K328 HydrophobicContact CD2-CD 4.38Å; L226-K328 HydrophobicContact CD2-CG 3.78Å
227	V	95	Very high	93.2	Very high	19 Å²	19	24.9 Å²	24.9	12%	0.115	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-46.8	179.3	-178.7	0	0	0	0	110.5	R135 Q225 L251 D253	R135-V227 PolarHBondContact NH1-O 3.15Å; R135-V227 VanDerWaalsContact NH1-O 3.12Å; Q225-V227 PolarHBondContact O-N 2.88Å; V227-L251 WeakPolarHBondContact CA-O 3.34Å; V227-L251 HydrophobicContact CB-CB 4.23Å; V227-L251 HydrophobicContact CB-CD2 3.93Å; V227-L251 HydrophobicContact CB-CG 3.88Å; V227-L251 WeakPolarHBondContact CB-O 3.38Å; V227-L251 HydrophobicContact CG1-CD2 3.69Å; V227-L251 HydrophobicContact CG1-CG 4.21Å; V227-L251 HydrophobicContact CG2-CG 4.43Å; V227-L251 PolarHBondContact N-O 2.88Å; V227-D253 HydrophobicContact CG2-CB 4.06Å
228	Q	95.6	Very high	91.1	Very high	55 Å²	55	30.9 Å²	30.9	26%	0.257	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	139.9	-179.3	-176.2	60.9	19.4	0	0	109.9	L226 L251 Q452	L226-Q228 WeakPolarHBondContact CD1-O 3.38Å; Q228-L251 HydrophobicContact CB-CB 3.96Å; Q228-L251 HydrophobicContact CB-CD2 4.35Å; Q228-L251 PolarHBondContact N-O 3.25Å; Q228-L251 PolarHBondContact O-N 3.49Å; Q228-Q452 HydrophobicContact CG-CB 4.23Å; Q228-Q452 PolarHBondContact NE2-O 3.46Å
229	L	97	Very high	88.8	Confident	23 Å²	23	40.5 Å²	40.5	12%	0.12	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	126.8	167.6	163.2	67.1	0	0	0	107.1	L226 V248 E249 L250 V316 K328 S330	L226-L229 HydrophobicContact CD2-CB 4.09Å; L229-V248 HydrophobicContact CD1-CG1 3.66Å; L229-E249 WeakPolarHBondContact CA-O 3.21Å; L229-L250 HydrophobicContact CB-CD2 4.5Å; L229-L250 HydrophobicContact CD1-CD2 3.37Å; L229-L250 HydrophobicContact CG-CD2 4.49Å; L229-V316 HydrophobicContact CD1-CG2 4.11Å; L229-V316 HydrophobicContact CD2-CG2 4.45Å; L229-K328 HydrophobicContact CD2-CB 4.38Å; L229-K328 HydrophobicContact CD2-CG 3.63Å; L229-S330 WeakPolarHBondContact CD2-OG 3.44Å
230	S	96.8	Very high	86.8	Confident	4 Å²	4	46.6 Å²	46.6	3%	0.028	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	144.8	167.8	69.6	0	0	0	0	110.4	V248 E249 K455 S456	S230-V248 WeakPolarHBondContact O-CA 3.48Å; S230-E249 PolarHBondContact N-O 3.27Å; S230-E249 PolarHBondContact O-N 2.9Å; S230-K455 WeakPolarHBondContact OG-CE 3.45Å; S230-S456 WeakPolarHBondContact CA-OG 3.32Å
231	S	96.6	Very high	84.9	Confident	3 Å²	3	51.6 Å²	51.6	2%	0.021	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	133.1	174.2	79.4	0	0	0	0	109.8	Q247 S456	S231-Q247 CarbonylContact C-O 3.58Å; S231-Q247 WeakPolarHBondContact CA-O 3.32Å; S231-S456 PolarHBondContact N-OG 3.19Å; S231-S456 WeakPolarHBondContact O-CA 3.08Å; S231-S456 WeakPolarHBondContact O-CB 3.41Å; S231-S456 PolarHBondContact O-OG 2.65Å
232	L	96.4	Very high	83.7	Confident	6 Å²	6	54.6 Å²	54.6	3%	0.031	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	99.6	-175.3	-167.4	68.2	0	0	0	109.9	L234 Q247 P509 S510	L232-L234 HydrophobicContact CD2-CD2 3.97Å; L232-L234 HydrophobicContact CD2-CG 4.43Å; L232-L234 HydrophobicContact CG-CD2 4.06Å; L232-L234 HydrophobicContact CG-CG 4.37Å; L232-L234 PolarHBondContact O-N 2.66Å; L232-Q247 HydrophobicContact CB-CB 4.28Å; L232-Q247 PolarHBondContact N-O 2.96Å; L232-Q247 PolarHBondContact O-N 2.87Å; L232-P509 HydrophobicContact CD2-CG 4.26Å; L232-S510 VanDerWaalsContact CD1-OG 3.25Å; L232-S510 WeakPolarHBondContact CD1-OG 3.42Å
233	P	95.7	Very high	83.3	Confident	19 Å²	19	54.8 Å²	54.8	12%	0.123	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	126.3	171.5	-23.3	37.4	0	0	0	111	W244 L246 V332 F333 F334	P233-W244 HydrophobicContact CB-CE3 4.11Å; P233-W244 HydrophobicContact CB-CZ3 3.96Å; P233-L246 HydrophobicContact CB-CD1 4.47Å; P233-L246 HydrophobicContact CG-CD1 3.82Å; P233-V332 HydrophobicContact CG-CG2 3.51Å; P233-F333 WeakPolarHBondContact CG-O 3.48Å; P233-F334 HydrophobicContact CB-CD1 3.68Å; P233-F334 HydrophobicContact CB-CE1 3.99Å; P233-F334 HydrophobicContact CB-CG 4.42Å; P233-F334 HydrophobicContact CG-CD1 4.23Å; P233-F334 HydrophobicContact CG-CE1 4.34Å
234	L	93.6	Very high	83.2	Confident	30 Å²	30	54.4 Å²	54.4	16%	0.157	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	133.8	178.6	-61.6	174.5	0	0	0	109.4	L232 R245 Q247	L232-L234 HydrophobicContact CD2-CD2 3.97Å; L232-L234 HydrophobicContact CD2-CG 4.43Å; L232-L234 HydrophobicContact CG-CD2 4.06Å; L232-L234 HydrophobicContact CG-CG 4.37Å; L232-L234 PolarHBondContact O-N 2.66Å; L234-R245 PolarHBondContact N-O 2.71Å; L234-R245 PolarHBondContact O-N 2.64Å; L234-Q247 HydrophobicContact CD1-CB 4.47Å
235	Y	90.1	Very high	83.2	Confident	100 Å²	100	58.3 Å²	58.3	39%	0.392	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	134.1	175.1	-168.2	-110.4	0	0	0	110	P237 S242 W244 T336	Y235-P237 HydrophobicContact CD1-CB 4.46Å; Y235-P237 HydrophobicContact CE1-CB 4.19Å; Y235-S242 VanDerWaalsContact OH-CB 3.27Å; Y235-S242 WeakPolarHBondContact OH-CB 3.36Å; Y235-W244 AromaticContact CD2-CD1 3.95Å; Y235-W244 AromaticContact CD2-CD2 3.72Å; Y235-W244 HydrophobicContact CD2-CD2 3.72Å; Y235-W244 AromaticContact CD2-CE2 3.55Å; Y235-W244 HydrophobicContact CD2-CE3 4.29Å; Y235-W244 AromaticContact CD2-CG 3.98Å; Y235-W244 HydrophobicContact CD2-CG 3.98Å; Y235-W244 AromaticContact CD2-CZ2 3.98Å; Y235-W244 HydrophobicContact CD2-CZ2 3.98Å; Y235-W244 AromaticContact CD2-NE1 3.68Å; Y235-W244 AromaticContact CE2-NE1 3.89Å; Y235-W244 HydrophobicContact CG-CD2 4.48Å; Y235-W244 HydrophobicContact CG-CZ2 4.32Å; Y235-T336 HydrophobicContact CD1-CG2 4.47Å; Y235-T336 HydrophobicContact CG-CG2 4.32Å
236	S	77.3	Confident	83.3	Confident	28 Å²	28	58.2 Å²	58.2	20%	0.196	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	102.1	176.2	-65	0	0	0	0	109.4	D238 Q243 R245	S236-D238 VanDerWaalsContact C-N 3.3Å; S236-D238 PolarHBondContact O-N 3.31Å; S236-Q243 PolarHBondContact N-O 2.83Å; S236-R245 PolarHBondContact OG-NH2 3.23Å
237	P	63.9	Low	83.4	Confident	93 Å²	93	59.3 Å²	59.3	60%	0.604	31%	0.305	S	S	*	.			trans	-75.9	-16.7	-179.2	28.5	-32.7	0	0	0	113.3	Y235	Y235-P237 HydrophobicContact CD1-CB 4.46Å; Y235-P237 HydrophobicContact CE1-CB 4.19Å
238	D	54.8	Low	83.5	Confident	156 Å²	156	58.4 Å²	58.4	83%	0.834	30%	0.3	S	S	*	.	S	Bend	trans	-107.1	28.6	-161.6	-148.2	16.7	0	0	0	115	S236	S236-D238 VanDerWaalsContact C-N 3.3Å; S236-D238 PolarHBondContact O-N 3.31Å
239	R	49.8	Very low	83.6	Confident	203 Å²	203	56.6 Å²	56.6	77%	0.766	29%	0.291	S	S	*	.	S	Bend	trans	-120.8	156.7	166.6	-68.2	-168.7	-178	-153.6	0.2	108.7	L241	R239-L241 CarbonylContact O-C 3.6Å; R239-L241 PolarHBondContact O-N 2.93Å
240	S	53.3	Low	83.6	Confident	130 Å²	130	55.5 Å²	55.5	91%	0.909	29%	0.286	S	S	*	.	S	Bend	trans	-51.7	-4.8	178	52.3	0	0	0	0	115.8
241	L	57.2	Low	83.7	Confident	106 Å²	106	57 Å²	57	56%	0.555	29%	0.294	S	S	*	.	S	Bend	trans	-137.5	108.6	169.1	-65.9	168.3	0	0	0	108.6	R239 Q243	R239-L241 CarbonylContact O-C 3.6Å; R239-L241 PolarHBondContact O-N 2.93Å; L241-Q243 PolarHBondContact O-N 2.84Å; L241-Q243 VanDerWaalsContact O-N 3.17Å
242	S	70.9	Confident	83.7	Confident	62 Å²	62	56.9 Å²	56.9	43%	0.434	29%	0.293	S	S	.	.			trans	-62.6	113.8	171.7	-44.6	0	0	0	0	109.6	Y235 Q294	Y235-S242 VanDerWaalsContact OH-CB 3.27Å; Y235-S242 WeakPolarHBondContact OH-CB 3.36Å; S242-Q294 PolarHBondContact O-NE2 2.69Å
243	Q	86	Confident	83.7	Confident	53 Å²	53	56.7 Å²	56.7	25%	0.248	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	140.1	-169.9	-167.6	179.5	23.3	0	0	112.5	S236 L241 I292 Q294	S236-Q243 PolarHBondContact N-O 2.83Å; L241-Q243 PolarHBondContact O-N 2.84Å; L241-Q243 VanDerWaalsContact O-N 3.17Å; Q243-I292 PolarHBondContact NE2-O 3.39Å; Q243-Q294 HydrophobicContact CG-CG 4.33Å
244	W	93.1	Very high	83.7	Confident	25 Å²	25	55.9 Å²	55.9	10%	0.095	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	135.9	168.1	-75.9	101.3	0	0	0	111.3	P233 Y235 I292 L300 F334 T336	P233-W244 HydrophobicContact CB-CE3 4.11Å; P233-W244 HydrophobicContact CB-CZ3 3.96Å; Y235-W244 AromaticContact CD2-CD1 3.95Å; Y235-W244 AromaticContact CD2-CD2 3.72Å; Y235-W244 HydrophobicContact CD2-CD2 3.72Å; Y235-W244 AromaticContact CD2-CE2 3.55Å; Y235-W244 HydrophobicContact CD2-CE3 4.29Å; Y235-W244 AromaticContact CD2-CG 3.98Å; Y235-W244 HydrophobicContact CD2-CG 3.98Å; Y235-W244 AromaticContact CD2-CZ2 3.98Å; Y235-W244 HydrophobicContact CD2-CZ2 3.98Å; Y235-W244 AromaticContact CD2-NE1 3.68Å; Y235-W244 AromaticContact CE2-NE1 3.89Å; Y235-W244 HydrophobicContact CG-CD2 4.48Å; Y235-W244 HydrophobicContact CG-CZ2 4.32Å; W244-I292 HydrophobicContact CB-CB 3.91Å; W244-I292 HydrophobicContact CB-CG1 3.89Å; W244-I292 WeakPolarHBondContact O-CB 3.13Å; W244-I292 PolarHBondContact O-N 3.45Å; W244-L300 HydrophobicContact CZ2-CD2 3.57Å; W244-F334 HydrophobicContact CB-CD1 4.32Å; W244-F334 HydrophobicContact CB-CE1 4.31Å; W244-F334 AromaticContact CD2-CD1 3.74Å; W244-F334 HydrophobicContact CD2-CD1 3.74Å; W244-F334 AromaticContact CE3-CD1 3.66Å; W244-F334 HydrophobicContact CE3-CD1 3.66Å; W244-F334 HydrophobicContact CE3-CE1 4.43Å; W244-F334 HydrophobicContact CG-CD1 4.05Å; W244-F334 HydrophobicContact CH2-CB 4.36Å; W244-F334 HydrophobicContact CZ2-CB 4.29Å; W244-F334 HydrophobicContact CZ3-CB 4.49Å; W244-F334 HydrophobicContact CZ3-CD1 4.22Å; W244-T336 HydrophobicContact CH2-CG2 3.73Å; W244-T336 HydrophobicContact CZ2-CG2 4.28Å
245	R	94.2	Very high	83.8	Confident	88 Å²	88	55.2 Å²	55.2	33%	0.332	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	134.4	169.5	-63.1	-174.7	-71.9	127.2	-0.3	108.4	L234 S236 T289 L290 N291	L234-R245 PolarHBondContact N-O 2.71Å; L234-R245 PolarHBondContact O-N 2.64Å; S236-R245 PolarHBondContact OG-NH2 3.23Å; R245-T289 HydrophobicContact CB-CG2 4.03Å; R245-T289 HydrophobicContact CG-CG2 4.46Å; R245-L290 CarbonylContact C-O 3.57Å; R245-L290 WeakPolarHBondContact CA-O 3.49Å; R245-N291 WeakPolarHBondContact CD-OD1 3.47Å; R245-N291 WeakPolarHBondContact CG-OD1 3.16Å
246	L	96.3	Very high	84	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	110.7	174.2	-179.3	59.5	0	0	0	108.9	P233 V248 V266 T289 L290 I292 L314 V332	P233-L246 HydrophobicContact CB-CD1 4.47Å; P233-L246 HydrophobicContact CG-CD1 3.82Å; L246-V248 HydrophobicContact CD2-CG2 4.09Å; L246-V248 HydrophobicContact CG-CG2 3.83Å; L246-V266 HydrophobicContact CD2-CG2 4.02Å; L246-T289 CarbonylContact O-C 3.51Å; L246-T289 WeakPolarHBondContact O-CA 3.33Å; L246-L290 HydrophobicContact CB-CB 4.29Å; L246-L290 PolarHBondContact N-O 3.37Å; L246-L290 PolarHBondContact O-N 3.13Å; L246-I292 HydrophobicContact CB-CD1 4.14Å; L246-L314 HydrophobicContact CD2-CD1 4.01Å; L246-L314 HydrophobicContact CD2-CD2 4.33Å; L246-V332 HydrophobicContact CD1-CG2 3.62Å; L246-V332 HydrophobicContact CD2-CG1 4.47Å; L246-V332 HydrophobicContact CD2-CG2 4.21Å
247	Q	97.1	Very high	85	Confident	42 Å²	42	58.1 Å²	58.1	20%	0.196	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	125.9	168.9	178	167.8	-7.6	0	0	108.5	S231 L232 L234 E249 F288	S231-Q247 CarbonylContact C-O 3.58Å; S231-Q247 WeakPolarHBondContact CA-O 3.32Å; L232-Q247 HydrophobicContact CB-CB 4.28Å; L232-Q247 PolarHBondContact N-O 2.96Å; L232-Q247 PolarHBondContact O-N 2.87Å; L234-Q247 HydrophobicContact CD1-CB 4.47Å; Q247-E249 HydrophobicContact CG-CG 4.23Å; Q247-E249 PolarHBondContact NE2-OE1 2.88Å; Q247-F288 CarbonylContact C-O 3.41Å; Q247-F288 WeakPolarHBondContact CA-O 3.27Å
248	V	98	Very high	86.5	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	123.3	180	179.5	0	0	0	0	107.6	L229 S230 L246 L250 I264 F288 L314 V316	L229-V248 HydrophobicContact CD1-CG1 3.66Å; S230-V248 WeakPolarHBondContact O-CA 3.48Å; L246-V248 HydrophobicContact CD2-CG2 4.09Å; L246-V248 HydrophobicContact CG-CG2 3.83Å; V248-L250 HydrophobicContact CG1-CD2 4.09Å; V248-I264 HydrophobicContact CB-CD1 3.94Å; V248-I264 HydrophobicContact CG1-CD1 4.11Å; V248-I264 HydrophobicContact CG2-CD1 4.3Å; V248-I264 HydrophobicContact CG2-CG2 3.93Å; V248-F288 PolarHBondContact N-O 2.97Å; V248-F288 PolarHBondContact O-N 3.14Å; V248-L314 HydrophobicContact CG1-CD2 4.46Å; V248-L314 HydrophobicContact CG2-CD1 4.35Å; V248-L314 HydrophobicContact CG2-CD2 4.05Å; V248-V316 HydrophobicContact CG1-CG2 4.06Å
249	E	97.7	Very high	88.5	Confident	17 Å²	17	54.3 Å²	54.3	8%	0.079	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	132.3	-179.2	-59.8	-177.6	171.3	0	0	110.6	L229 S230 Q247 Y286 K455	L229-E249 WeakPolarHBondContact CA-O 3.21Å; S230-E249 PolarHBondContact N-O 3.27Å; S230-E249 PolarHBondContact O-N 2.9Å; Q247-E249 HydrophobicContact CG-CG 4.23Å; Q247-E249 PolarHBondContact NE2-OE1 2.88Å; E249-Y286 CarbonylContact C-O 3.59Å; E249-Y286 VanDerWaalsContact CA-O 3.32Å; E249-Y286 WeakPolarHBondContact CA-O 3.44Å; E249-K455 IonicContact OE2-NZ 3.82Å; E249-K455 PolarHBondContact OE2-NZ 3.13Å
250	L	97.9	Very high	90.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	111.4	-179.4	-48.9	-179.4	0	0	0	108.3	L226 L229 V248 V252 V262 N285 Y286 F288 V316 L326	L226-L250 HydrophobicContact CD1-CB 4.05Å; L226-L250 HydrophobicContact CD1-CD2 4.15Å; L229-L250 HydrophobicContact CB-CD2 4.5Å; L229-L250 HydrophobicContact CD1-CD2 3.37Å; L229-L250 HydrophobicContact CG-CD2 4.49Å; V248-L250 HydrophobicContact CG1-CD2 4.09Å; L250-V252 HydrophobicContact CB-CG2 3.85Å; L250-V252 PolarHBondContact O-N 3.05Å; L250-V262 HydrophobicContact CD1-CG1 4.15Å; L250-N285 CarbonylContact O-C 3.6Å; L250-N285 WeakPolarHBondContact O-CA 3.38Å; L250-N285 PolarHBondContact O-OD1 3.4Å; L250-Y286 PolarHBondContact N-O 2.97Å; L250-Y286 PolarHBondContact O-N 2.83Å; L250-F288 HydrophobicContact CD1-CD2 4.35Å; L250-F288 HydrophobicContact CD1-CE2 3.75Å; L250-F288 HydrophobicContact CG-CD2 4.43Å; L250-F288 HydrophobicContact CG-CE2 4.11Å; L250-V316 HydrophobicContact CD1-CG1 3.86Å; L250-V316 HydrophobicContact CD2-CG1 3.98Å; L250-L326 HydrophobicContact CD1-CD2 4.48Å
251	L	97.3	Very high	92.8	Very high	37 Å²	37	43 Å²	43	19%	0.194	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	109	164.2	-176.4	62.4	0	0	0	107.8	V227 Q228 N285	V227-L251 WeakPolarHBondContact CA-O 3.34Å; V227-L251 HydrophobicContact CB-CB 4.23Å; V227-L251 HydrophobicContact CB-CD2 3.93Å; V227-L251 HydrophobicContact CB-CG 3.88Å; V227-L251 WeakPolarHBondContact CB-O 3.38Å; V227-L251 HydrophobicContact CG1-CD2 3.69Å; V227-L251 HydrophobicContact CG1-CG 4.21Å; V227-L251 HydrophobicContact CG2-CG 4.43Å; V227-L251 PolarHBondContact N-O 2.88Å; Q228-L251 HydrophobicContact CB-CB 3.96Å; Q228-L251 HydrophobicContact CB-CD2 4.35Å; Q228-L251 PolarHBondContact N-O 3.25Å; Q228-L251 PolarHBondContact O-N 3.49Å; L251-N285 HydrophobicContact CD1-CB 4.48Å
252	V	96.9	Very high	94.7	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	133.9	-174.4	176.1	0	0	0	0	109.8	L224 Q225 L226 L250 F279 K283 F284 Y286	L224-V252 HydrophobicContact CB-CG1 3.83Å; L224-V252 HydrophobicContact CD1-CG1 4.08Å; L224-V252 HydrophobicContact CD2-CG1 4.28Å; L224-V252 HydrophobicContact CG-CG1 4.29Å; Q225-V252 WeakPolarHBondContact O-CA 3.35Å; L226-V252 HydrophobicContact CD1-CG2 4.09Å; L250-V252 HydrophobicContact CB-CG2 3.85Å; L250-V252 PolarHBondContact O-N 3.05Å; V252-F279 HydrophobicContact CB-CD1 4.49Å; V252-F279 HydrophobicContact CB-CE1 4.49Å; V252-F279 HydrophobicContact CG1-CD1 4.13Å; V252-F279 HydrophobicContact CG1-CE1 4.32Å; V252-F279 HydrophobicContact CG2-CE1 4.25Å; V252-K283 CarbonylContact O-C 3.58Å; V252-K283 VanDerWaalsContact O-CA 3.32Å; V252-K283 WeakPolarHBondContact O-CA 3.31Å; V252-F284 PolarHBondContact N-O 3.16Å; V252-F284 PolarHBondContact O-N 3.32Å; V252-Y286 HydrophobicContact CB-CD2 4.14Å; V252-Y286 HydrophobicContact CB-CE2 3.94Å; V252-Y286 HydrophobicContact CG2-CD2 4.22Å; V252-Y286 HydrophobicContact CG2-CE2 4.49Å
253	D	96.1	Very high	96	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.011	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	104.1	168	-165.4	-16.7	0	0	0	109.5	K105 F221 L224 Q225 V227 G282 K283	K105-D253 WeakPolarHBondContact CE-OD2 3.46Å; K105-D253 IonicContact NZ-OD1 3.52Å; K105-D253 PolarHBondContact NZ-OD1 2.99Å; K105-D253 IonicContact NZ-OD2 2.7Å; K105-D253 PolarHBondContact NZ-OD2 3.36Å; F221-D253 WeakPolarHBondContact CE2-O 3.39Å; F221-D253 HydrophobicContact CZ-CB 4.39Å; L224-D253 CarbonylContact C-O 3.58Å; L224-D253 VanDerWaalsContact CA-O 3.24Å; L224-D253 WeakPolarHBondContact CA-O 3.48Å; Q225-D253 HydrophobicContact CB-CB 4.45Å; Q225-D253 PolarHBondContact N-O 2.91Å; Q225-D253 PolarHBondContact O-N 2.67Å; V227-D253 HydrophobicContact CG2-CB 4.06Å; D253-G282 WeakPolarHBondContact CA-O 3.17Å; D253-K283 HydrophobicContact CB-CG 3.73Å; D253-K283 WeakPolarHBondContact OD2-CE 3.22Å
254	A	96.4	Very high	96.6	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.008	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	139.7	178.1	0	0	0	0	0	111.5	I223 L224 F258 F279 G282	I223-A254 CarbonylContact O-C 3.34Å; I223-A254 WeakPolarHBondContact O-CA 3.38Å; L224-A254 HydrophobicContact CB-CB 4.35Å; A254-F258 HydrophobicContact CB-CE1 4.34Å; A254-F279 HydrophobicContact CB-CB 4.43Å; A254-G282 PolarHBondContact N-O 3.35Å; A254-G282 PolarHBondContact O-N 3.21Å
255	V	95.6	Very high	96.8	Very high	17 Å²	17	33.7 Å²	33.7	10%	0.103	17%	0.167	C	C	.	.	S	Bend	trans	-69.5	-39.5	179.3	-176.6	0	0	0	0	111.5	Q104 K105 F221 D222 I223 Q281	Q104-V255 HydrophobicContact CB-CG1 3.69Å; Q104-V255 HydrophobicContact CB-CG2 4.47Å; Q104-V255 VanDerWaalsContact OE1-CG1 3.28Å; K105-V255 HydrophobicContact CB-CG2 3.79Å; K105-V255 HydrophobicContact CD-CG2 4.35Å; F221-V255 HydrophobicContact CD2-CG2 3.63Å; F221-V255 HydrophobicContact CE2-CG2 3.57Å; D222-V255 WeakPolarHBondContact O-CB 3.3Å; D222-V255 WeakPolarHBondContact O-CG2 3.28Å; I223-V255 PolarHBondContact O-N 2.82Å; V255-Q281 WeakPolarHBondContact O-CG 3.27Å; V255-Q281 PolarHBondContact O-NE2 2.97Å; V255-Q281 VanDerWaalsContact O-NE2 3.14Å
256	Q	95.1	Very high	97	Very high	119 Å²	119	29.5 Å²	29.5	56%	0.556	15%	0.151	S	C	*	.	S	Bend	trans	-142.2	160.8	176.4	-63.9	-173.3	16.9	0	0	110.1	F258	Q256-F258 WeakPolarHBondContact O-CD1 3.3Å
257	S	96.9	Very high	96.8	Very high	70 Å²	70	33 Å²	33	49%	0.49	18%	0.176	S	C	.	.			trans	-71.6	133.8	175.4	-57.2	0	0	0	0	111.1	F279 Q281	S257-F279 CarbonylContact C-O 3.51Å; S257-F279 WeakPolarHBondContact CA-O 3.43Å; S257-F279 WeakPolarHBondContact CB-O 3.46Å; S257-Q281 PolarHBondContact OG-N 3.27Å
258	F	95.9	Very high	96.7	Very high	25 Å²	25	34.3 Å²	34.3	11%	0.11	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	157.9	176.9	70.1	-91	0	0	0	112.5	I223 L224 A254 Q256 F279 L320 V325	I223-F258 HydrophobicContact CG2-CD1 3.91Å; I223-F258 HydrophobicContact CG2-CE1 3.47Å; I223-F258 VanDerWaalsContact CG2-CE1 3.47Å; I223-F258 HydrophobicContact CG2-CZ 3.9Å; L224-F258 HydrophobicContact CD2-CE1 4.13Å; L224-F258 HydrophobicContact CD2-CZ 3.67Å; A254-F258 HydrophobicContact CB-CE1 4.34Å; Q256-F258 WeakPolarHBondContact O-CD1 3.3Å; F258-F279 HydrophobicContact CD1-CB 3.98Å; F258-F279 HydrophobicContact CD2-CD2 4.12Å; F258-F279 HydrophobicContact CE1-CB 3.56Å; F258-F279 HydrophobicContact CE1-CD2 4.09Å; F258-F279 AromaticContact CE1-CG 3.95Å; F258-F279 HydrophobicContact CE1-CG 3.95Å; F258-F279 HydrophobicContact CE2-CB 4.22Å; F258-F279 AromaticContact CE2-CD2 3.31Å; F258-F279 HydrophobicContact CE2-CD2 3.31Å; F258-F279 AromaticContact CE2-CE2 3.95Å; F258-F279 HydrophobicContact CE2-CE2 3.95Å; F258-F279 HydrophobicContact CE2-CG 4.03Å; F258-F279 HydrophobicContact CG-CB 4.45Å; F258-F279 HydrophobicContact CZ-CB 3.68Å; F258-F279 HydrophobicContact CZ-CD1 4.45Å; F258-F279 AromaticContact CZ-CD2 3.27Å; F258-F279 HydrophobicContact CZ-CD2 3.27Å; F258-F279 AromaticContact CZ-CE2 3.97Å; F258-F279 HydrophobicContact CZ-CE2 3.97Å; F258-F279 AromaticContact CZ-CG 3.54Å; F258-F279 HydrophobicContact CZ-CG 3.54Å; F258-F279 PolarHBondContact N-O 2.91Å; F258-F279 PolarHBondContact O-N 3.37Å; F258-L320 HydrophobicContact CB-CD1 4.25Å; F258-L320 HydrophobicContact CD2-CB 4.41Å; F258-L320 HydrophobicContact CD2-CD1 3.79Å; F258-L320 HydrophobicContact CE2-CB 4.45Å; F258-L320 HydrophobicContact CG-CD1 4.33Å; F258-V325 HydrophobicContact CZ-CG2 4.47Å
259	H	96.6	Very high	96.5	Very high	144 Å²	144	34.5 Å²	34.5	67%	0.667	18%	0.183	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94.5	124	172.4	-63.2	-69.4	0	0	0	110.3	T278 L320	H259-T278 PolarHBondContact CE1-OG1 3.28Å; H259-T278 VanDerWaalsContact CE1-OG1 3.24Å; H259-T278 PolarHBondContact ND1-OG1 3.34Å; H259-L320 WeakPolarHBondContact O-CD1 3.41Å
260	G	95.9	Very high	96.4	Very high	13 Å²	13	38.7 Å²	38.7	13%	0.134	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	-171.3	179.2	0	0	0	0	0	112.9	P276 T277 F319	G260-P276 WeakPolarHBondContact O-CA 3.39Å; G260-T277 PolarHBondContact N-O 2.95Å; G260-T277 PolarHBondContact O-N 3.27Å; G260-F319 CarbonylContact C-O 3.53Å; G260-F319 WeakPolarHBondContact CA-O 3.4Å
261	K	97.1	Very high	96.2	Very high	82 Å²	82	39 Å²	39	36%	0.357	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138.7	171.2	59.3	179.4	-177.9	-173.2	0	109.5	T274 A275 A318 F319 G321	K261-T274 HydrophobicContact CB-CG2 4.4Å; K261-A275 CarbonylContact C-O 3.55Å; K261-A275 WeakPolarHBondContact CA-O 3.45Å; K261-A318 CarbonylContact O-C 3.59Å; K261-A318 VanDerWaalsContact O-CA 3.28Å; K261-A318 WeakPolarHBondContact O-CA 3.39Å; K261-F319 HydrophobicContact CD-CB 4.21Å; K261-F319 HydrophobicContact CD-CD2 4.23Å; K261-F319 HydrophobicContact CD-CG 4.43Å; K261-F319 VanDerWaalsContact CE-CG 3.4Å; K261-F319 HydrophobicContact CG-CB 3.68Å; K261-F319 HydrophobicContact CG-CD2 3.9Å; K261-F319 HydrophobicContact CG-CG 4.17Å; K261-F319 PolarHBondContact N-O 3.3Å; K261-F319 PolarHBondContact O-N 3.46Å; K261-G321 WeakPolarHBondContact CE-O 3.34Å
262	V	98.1	Very high	96.2	Very high	1 Å²	1	43 Å²	43	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	130.2	171.5	179.7	0	0	0	0	108.6	L250 I264 T274 A275 T277 F279 F288 V316 R317 A318	L250-V262 HydrophobicContact CD1-CG1 4.15Å; V262-I264 HydrophobicContact CG1-CD1 4.32Å; V262-I264 HydrophobicContact CG1-CG1 3.98Å; V262-T274 CarbonylContact O-C 3.56Å; V262-T274 VanDerWaalsContact O-CA 3.27Å; V262-T274 WeakPolarHBondContact O-CA 3.5Å; V262-A275 PolarHBondContact N-O 3.41Å; V262-A275 PolarHBondContact O-N 3.08Å; V262-T277 HydrophobicContact CG2-CG2 4.45Å; V262-F279 HydrophobicContact CG2-CE2 4.07Å; V262-F279 HydrophobicContact CG2-CZ 3.56Å; V262-F288 HydrophobicContact CB-CE1 3.93Å; V262-F288 HydrophobicContact CB-CE2 4.41Å; V262-F288 HydrophobicContact CB-CZ 3.79Å; V262-F288 HydrophobicContact CG1-CD2 4.47Å; V262-F288 HydrophobicContact CG1-CE1 4.26Å; V262-F288 HydrophobicContact CG1-CE2 4.06Å; V262-F288 HydrophobicContact CG1-CZ 3.95Å; V262-F288 HydrophobicContact CG2-CE1 4.2Å; V262-F288 HydrophobicContact CG2-CE2 4.33Å; V262-F288 HydrophobicContact CG2-CZ 3.65Å; V262-V316 HydrophobicContact CG1-CG1 4.24Å; V262-R317 CarbonylContact C-O 3.26Å; V262-R317 WeakPolarHBondContact CA-O 3.48Å; V262-A318 HydrophobicContact CG2-CB 4.06Å
263	E	98.3	Very high	96.2	Very high	32 Å²	32	47.7 Å²	47.7	15%	0.15	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	129.6	174.5	177.2	172.3	135.8	0	0	109.4	K272 R273 V316 R317 F319	E263-K272 HydrophobicContact CG-CD 4.47Å; E263-K272 HydrophobicContact CG-CG 4.46Å; E263-K272 WeakPolarHBondContact OE1-CE 3.31Å; E263-K272 IonicContact OE1-NZ 3.69Å; E263-K272 PolarHBondContact OE1-NZ 2.91Å; E263-K272 WeakPolarHBondContact OE2-CE 3.42Å; E263-K272 IonicContact OE2-NZ 2.73Å; E263-K272 PolarHBondContact OE2-NZ 3.09Å; E263-R273 CarbonylContact C-O 3.29Å; E263-R273 WeakPolarHBondContact CA-O 3.34Å; E263-V316 CarbonylContact O-C 3.53Å; E263-V316 WeakPolarHBondContact O-CA 3.49Å; E263-R317 HydrophobicContact CB-CB 4.38Å; E263-R317 PolarHBondContact N-O 2.94Å; E263-R317 PolarHBondContact O-N 3.43Å; E263-F319 HydrophobicContact CB-CE2 4.31Å
264	I	98.3	Very high	96.2	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	127.9	-179.2	-56.3	179.5	0	0	0	107.1	V248 V262 K272 R273 F288 L290 L314 T315	V248-I264 HydrophobicContact CB-CD1 3.94Å; V248-I264 HydrophobicContact CG1-CD1 4.11Å; V248-I264 HydrophobicContact CG2-CD1 4.3Å; V248-I264 HydrophobicContact CG2-CG2 3.93Å; V262-I264 HydrophobicContact CG1-CD1 4.32Å; V262-I264 HydrophobicContact CG1-CG1 3.98Å; I264-K272 CarbonylContact O-C 3.4Å; I264-K272 VanDerWaalsContact O-CA 3.29Å; I264-K272 WeakPolarHBondContact O-CA 3.27Å; I264-R273 PolarHBondContact N-O 3.03Å; I264-R273 PolarHBondContact O-N 3.42Å; I264-F288 HydrophobicContact CD1-CB 3.3Å; I264-F288 HydrophobicContact CD1-CD1 4.38Å; I264-F288 HydrophobicContact CD1-CD2 3.91Å; I264-F288 HydrophobicContact CD1-CG 3.61Å; I264-L290 HydrophobicContact CG2-CB 4.44Å; I264-L290 HydrophobicContact CG2-CD2 4.13Å; I264-L314 HydrophobicContact CG2-CD1 3.62Å; I264-T315 WeakPolarHBondContact CA-O 3.48Å
265	S	97.8	Very high	96.3	Very high	16 Å²	16	51.6 Å²	51.6	11%	0.112	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	145.2	179.9	59.5	0	0	0	0	113.5	S271 T315	S265-S271 CarbonylContact C-O 3.53Å; S265-S271 VanDerWaalsContact CA-O 3.29Å; S265-S271 WeakPolarHBondContact CA-O 3.44Å; S265-T315 PolarHBondContact N-O 2.93Å; S265-T315 PolarHBondContact O-N 3.15Å
266	V	97.2	Very high	96.3	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	95.6	164	-176.1	0	0	0	0	106.4	L246 E268 L269 N270 S271 L290 Y312 L314 V332	L246-V266 HydrophobicContact CD2-CG2 4.02Å; V266-E268 VanDerWaalsContact C-N 3.35Å; V266-E268 PolarHBondContact O-N 3.27Å; V266-L269 HydrophobicContact CG1-CB 4.11Å; V266-L269 HydrophobicContact CG1-CD1 3.96Å; V266-L269 HydrophobicContact CG1-CG 4.03Å; V266-L269 PolarHBondContact O-N 3.38Å; V266-N270 PolarHBondContact O-N 2.99Å; V266-S271 PolarHBondContact N-O 2.95Å; V266-S271 PolarHBondContact O-N 2.82Å; V266-L290 HydrophobicContact CG2-CD2 4.08Å; V266-Y312 HydrophobicContact CG1-CD1 4.36Å; V266-Y312 HydrophobicContact CG1-CG 4.38Å; V266-L314 HydrophobicContact CG2-CD1 4.19Å; V266-V332 HydrophobicContact CG2-CG1 4.44Å
267	S	93.3	Very high	96.5	Very high	75 Å²	75	51.7 Å²	51.7	52%	0.524	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-62	-41.1	-168.4	29	0	0	0	0	113.1	L269 N270	S267-L269 PolarHBondContact O-N 2.8Å; S267-N270 PolarHBondContact O-N 2.91Å
268	E	94.8	Very high	96.5	Very high	69 Å²	69	51.5 Å²	51.5	32%	0.322	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-63.7	-26.5	-176.8	-60.5	92.9	114.5	0	0	111.8	V266 R296 Y312 L313	V266-E268 VanDerWaalsContact C-N 3.35Å; V266-E268 PolarHBondContact O-N 3.27Å; E268-R296 WeakPolarHBondContact O-CD 3.48Å; E268-R296 PolarHBondContact O-NH1 3.4Å; E268-Y312 HydrophobicContact CB-CD1 3.86Å; E268-Y312 HydrophobicContact CB-CE1 4.25Å; E268-L313 WeakPolarHBondContact OE1-CB 3.33Å; E268-L313 PolarHBondContact OE1-N 3.07Å
269	L	94.3	Very high	96.5	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.016	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-101.8	10.2	176.1	-62.2	178.2	0	0	0	113.1	V266 S267 S271 I292 R296 V298 Y312 F334	V266-L269 HydrophobicContact CG1-CB 4.11Å; V266-L269 HydrophobicContact CG1-CD1 3.96Å; V266-L269 HydrophobicContact CG1-CG 4.03Å; V266-L269 PolarHBondContact O-N 3.38Å; S267-L269 PolarHBondContact O-N 2.8Å; L269-S271 PolarHBondContact O-N 2.9Å; L269-S271 VanDerWaalsContact O-N 3.09Å; L269-S271 PolarHBondContact O-OG 2.73Å; L269-I292 HydrophobicContact CB-CG2 4.31Å; L269-I292 HydrophobicContact CD1-CG2 3.82Å; L269-R296 HydrophobicContact CD2-CB 4.48Å; L269-V298 HydrophobicContact CD1-CG2 4.18Å; L269-V298 HydrophobicContact CD2-CG2 4.24Å; L269-Y312 HydrophobicContact CD1-CD1 4.06Å; L269-Y312 HydrophobicContact CD1-CE1 4.05Å; L269-Y312 HydrophobicContact CD1-CG 4.31Å; L269-Y312 HydrophobicContact CD2-CD1 4.23Å; L269-Y312 HydrophobicContact CD2-CE1 3.53Å; L269-Y312 HydrophobicContact CG-CD1 3.81Å; L269-Y312 HydrophobicContact CG-CE1 3.66Å; L269-F334 HydrophobicContact CD1-CE2 3.74Å; L269-F334 HydrophobicContact CD1-CZ 3.93Å
270	N	93.9	Very high	96.6	Very high	106 Å²	106	47.1 Å²	47.1	57%	0.567	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.7	43.2	-177.9	-167.7	34.4	0	0	0	113	V266 S267 N293	V266-N270 PolarHBondContact O-N 2.99Å; S267-N270 PolarHBondContact O-N 2.91Å; N270-N293 PolarHBondContact O-ND2 2.61Å
271	S	95.4	Very high	96.6	Very high	5 Å²	5	52.6 Å²	52.6	4%	0.035	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	123.2	-174.3	-64.2	0	0	0	0	109.2	S265 V266 L269 N293	S265-S271 CarbonylContact C-O 3.53Å; S265-S271 VanDerWaalsContact CA-O 3.29Å; S265-S271 WeakPolarHBondContact CA-O 3.44Å; V266-S271 PolarHBondContact N-O 2.95Å; V266-S271 PolarHBondContact O-N 2.82Å; L269-S271 PolarHBondContact O-N 2.9Å; L269-S271 VanDerWaalsContact O-N 3.09Å; L269-S271 PolarHBondContact O-OG 2.73Å; S271-N293 WeakPolarHBondContact OG-CB 3.09Å; S271-N293 PolarHBondContact OG-N 3.28Å
272	K	96.4	Very high	96.5	Very high	121 Å²	121	49.6 Å²	49.6	53%	0.526	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	140.8	-179.6	177.4	172	167.2	156.4	0	110.6	E263 I264 L290	E263-K272 HydrophobicContact CG-CD 4.47Å; E263-K272 HydrophobicContact CG-CG 4.46Å; E263-K272 WeakPolarHBondContact OE1-CE 3.31Å; E263-K272 IonicContact OE1-NZ 3.69Å; E263-K272 PolarHBondContact OE1-NZ 2.91Å; E263-K272 WeakPolarHBondContact OE2-CE 3.42Å; E263-K272 IonicContact OE2-NZ 2.73Å; E263-K272 PolarHBondContact OE2-NZ 3.09Å; I264-K272 CarbonylContact O-C 3.4Å; I264-K272 VanDerWaalsContact O-CA 3.29Å; I264-K272 WeakPolarHBondContact O-CA 3.27Å; K272-L290 VanDerWaalsContact C-CD1 3.49Å
273	R	96.4	Very high	96.4	Very high	100 Å²	100	54.1 Å²	54.1	38%	0.377	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	136.3	171.7	176.7	173.4	173.4	173.6	-4.1	109.1	E263 I264 T289 L290	E263-R273 CarbonylContact C-O 3.29Å; E263-R273 WeakPolarHBondContact CA-O 3.34Å; I264-R273 PolarHBondContact N-O 3.03Å; I264-R273 PolarHBondContact O-N 3.42Å; R273-T289 WeakPolarHBondContact CD-O 3.39Å; R273-T289 VanDerWaalsContact NH1-N 3.16Å; R273-T289 PolarHBondContact NH1-O 2.96Å; R273-L290 HydrophobicContact CB-CD1 3.63Å
274	T	97.3	Very high	96.4	Very high	74 Å²	74	56.9 Å²	56.9	45%	0.454	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	131.9	169.1	-55.2	0	0	0	0	108.5	K261 V262	K261-T274 HydrophobicContact CB-CG2 4.4Å; V262-T274 CarbonylContact O-C 3.56Å; V262-T274 VanDerWaalsContact O-CA 3.27Å; V262-T274 WeakPolarHBondContact O-CA 3.5Å
275	A	97.1	Very high	96.2	Very high	11 Å²	11	60.1 Å²	60.1	9%	0.091	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	130.3	-178	0	0	0	0	0	111.2	K261 V262 T277 F288	K261-A275 CarbonylContact C-O 3.55Å; K261-A275 WeakPolarHBondContact CA-O 3.45Å; V262-A275 PolarHBondContact N-O 3.41Å; V262-A275 PolarHBondContact O-N 3.08Å; A275-T277 PolarHBondContact O-OG1 3.32Å; A275-F288 HydrophobicContact CB-CD1 4.09Å; A275-F288 HydrophobicContact CB-CE1 4.09Å
276	P	97.3	Very high	96.2	Very high	122 Å²	122	60.6 Å²	60.6	79%	0.792	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.9	138.1	165.8	28.9	-33	0	0	0	109	G260	G260-P276 WeakPolarHBondContact O-CA 3.39Å
277	T	97.3	Very high	96.2	Very high	15 Å²	15	63.8 Å²	63.8	9%	0.092	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	131.9	-175.2	-56.5	0	0	0	0	109.6	G260 V262 A275 F279 Y286 F288	G260-T277 PolarHBondContact N-O 2.95Å; G260-T277 PolarHBondContact O-N 3.27Å; V262-T277 HydrophobicContact CG2-CG2 4.45Å; A275-T277 PolarHBondContact O-OG1 3.32Å; T277-F279 HydrophobicContact CG2-CD2 4.12Å; T277-F279 HydrophobicContact CG2-CE1 4.24Å; T277-F279 HydrophobicContact CG2-CE2 3.86Å; T277-F279 HydrophobicContact CG2-CG 4.46Å; T277-F279 HydrophobicContact CG2-CZ 3.93Å; T277-Y286 HydrophobicContact CG2-CD1 3.73Å; T277-Y286 HydrophobicContact CG2-CE1 4.07Å; T277-F288 HydrophobicContact CG2-CZ 4.18Å; T277-F288 WeakPolarHBondContact OG1-CE1 3.5Å
278	T	97.5	Very high	96.4	Very high	67 Å²	67	60.8 Å²	60.8	41%	0.411	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	107.4	169.1	-55.9	0	0	0	0	107.8	H259 L280 Y286	H259-T278 PolarHBondContact CE1-OG1 3.28Å; H259-T278 VanDerWaalsContact CE1-OG1 3.24Å; H259-T278 PolarHBondContact ND1-OG1 3.34Å; T278-L280 HydrophobicContact CG2-CD2 4.29Å; T278-Y286 WeakPolarHBondContact O-CE1 3.48Å
279	F	97.1	Very high	96.5	Very high	1 Å²	1	59.5 Å²	59.5	0%	0.004	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	128.1	171.7	-67.7	-86.7	0	0	0	108.5	V252 A254 S257 F258 V262 T277 Y286 A318	V252-F279 HydrophobicContact CB-CD1 4.49Å; V252-F279 HydrophobicContact CB-CE1 4.49Å; V252-F279 HydrophobicContact CG1-CD1 4.13Å; V252-F279 HydrophobicContact CG1-CE1 4.32Å; V252-F279 HydrophobicContact CG2-CE1 4.25Å; A254-F279 HydrophobicContact CB-CB 4.43Å; S257-F279 CarbonylContact C-O 3.51Å; S257-F279 WeakPolarHBondContact CA-O 3.43Å; S257-F279 WeakPolarHBondContact CB-O 3.46Å; F258-F279 HydrophobicContact CD1-CB 3.98Å; F258-F279 HydrophobicContact CD2-CD2 4.12Å; F258-F279 HydrophobicContact CE1-CB 3.56Å; F258-F279 HydrophobicContact CE1-CD2 4.09Å; F258-F279 AromaticContact CE1-CG 3.95Å; F258-F279 HydrophobicContact CE1-CG 3.95Å; F258-F279 HydrophobicContact CE2-CB 4.22Å; F258-F279 AromaticContact CE2-CD2 3.31Å; F258-F279 HydrophobicContact CE2-CD2 3.31Å; F258-F279 AromaticContact CE2-CE2 3.95Å; F258-F279 HydrophobicContact CE2-CE2 3.95Å; F258-F279 HydrophobicContact CE2-CG 4.03Å; F258-F279 HydrophobicContact CG-CB 4.45Å; F258-F279 HydrophobicContact CZ-CB 3.68Å; F258-F279 HydrophobicContact CZ-CD1 4.45Å; F258-F279 AromaticContact CZ-CD2 3.27Å; F258-F279 HydrophobicContact CZ-CD2 3.27Å; F258-F279 AromaticContact CZ-CE2 3.97Å; F258-F279 HydrophobicContact CZ-CE2 3.97Å; F258-F279 AromaticContact CZ-CG 3.54Å; F258-F279 HydrophobicContact CZ-CG 3.54Å; F258-F279 PolarHBondContact N-O 2.91Å; F258-F279 PolarHBondContact O-N 3.37Å; V262-F279 HydrophobicContact CG2-CE2 4.07Å; V262-F279 HydrophobicContact CG2-CZ 3.56Å; T277-F279 HydrophobicContact CG2-CD2 4.12Å; T277-F279 HydrophobicContact CG2-CE1 4.24Å; T277-F279 HydrophobicContact CG2-CE2 3.86Å; T277-F279 HydrophobicContact CG2-CG 4.46Å; T277-F279 HydrophobicContact CG2-CZ 3.93Å; F279-Y286 VanDerWaalsContact CA-OH 3.29Å; F279-Y286 WeakPolarHBondContact CA-OH 3.28Å; F279-Y286 HydrophobicContact CD1-CD2 4.16Å; F279-Y286 HydrophobicContact CD1-CE1 4.1Å; F279-Y286 AromaticContact CD1-CE2 3.69Å; F279-Y286 HydrophobicContact CD1-CE2 3.69Å; F279-Y286 AromaticContact CD1-CZ 3.66Å; F279-Y286 HydrophobicContact CE1-CD2 4.11Å; F279-Y286 HydrophobicContact CE1-CE2 4.11Å; F279-Y286 HydrophobicContact CE1-CG 4.39Å; F279-A318 HydrophobicContact CE2-CB 4.48Å; F279-A318 HydrophobicContact CZ-CB 4.14Å
280	L	97.8	Very high	96.5	Very high	75 Å²	75	59.5 Å²	59.5	39%	0.393	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-92.9	143.1	176.5	-59.5	178.8	0	0	0	110.2	T278 G282 F284 Y286	T278-L280 HydrophobicContact CG2-CD2 4.29Å; L280-G282 PolarHBondContact O-N 2.74Å; L280-F284 HydrophobicContact CB-CD2 3.73Å; L280-F284 HydrophobicContact CB-CE2 3.74Å; L280-F284 HydrophobicContact CB-CG 4.18Å; L280-F284 HydrophobicContact CB-CZ 4.15Å; L280-F284 HydrophobicContact CD1-CD1 4.07Å; L280-F284 HydrophobicContact CD1-CE1 3.88Å; L280-F284 HydrophobicContact CD1-CG 4.46Å; L280-F284 HydrophobicContact CD1-CZ 4.13Å; L280-Y286 PolarHBondContact N-OH 3.45Å
281	Q	96.8	Very high	96.5	Very high	128 Å²	128	58.8 Å²	58.8	60%	0.598	31%	0.311	S	S	*	.	S	Bend	trans	-56.3	126.2	174	176.1	174.4	29.3	0	0	111.9	V255 S257 F284	V255-Q281 WeakPolarHBondContact O-CG 3.27Å; V255-Q281 PolarHBondContact O-NE2 2.97Å; V255-Q281 VanDerWaalsContact O-NE2 3.14Å; S257-Q281 PolarHBondContact OG-N 3.27Å; Q281-F284 VanDerWaalsContact O-CE2 3.27Å; Q281-F284 WeakPolarHBondContact O-CE2 3.46Å
282	G	95.3	Very high	96.4	Very high	20 Å²	20	58.7 Å²	58.7	21%	0.206	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	103.9	-167.2	-177.9	0	0	0	0	0	112.7	D253 A254 L280	D253-G282 WeakPolarHBondContact CA-O 3.17Å; A254-G282 PolarHBondContact N-O 3.35Å; A254-G282 PolarHBondContact O-N 3.21Å; L280-G282 PolarHBondContact O-N 2.74Å
283	K	95.4	Very high	95.9	Very high	96 Å²	96	55.2 Å²	55.2	42%	0.417	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	116.8	-178.9	-66.7	-172.5	-172.7	-179.7	0	111	D137 V252 D253	D137-K283 IonicContact OD2-NZ 2.89Å; D137-K283 PolarHBondContact OD2-NZ 2.78Å; V252-K283 CarbonylContact O-C 3.58Å; V252-K283 VanDerWaalsContact O-CA 3.32Å; V252-K283 WeakPolarHBondContact O-CA 3.31Å; D253-K283 HydrophobicContact CB-CG 3.73Å; D253-K283 WeakPolarHBondContact OD2-CE 3.22Å
284	F	96.9	Very high	95.1	Very high	89 Å²	89	55 Å²	55	39%	0.39	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	147.1	178.3	-73.6	-90.7	0	0	0	111.2	V252 L280 Q281 Y286	V252-F284 PolarHBondContact N-O 3.16Å; V252-F284 PolarHBondContact O-N 3.32Å; L280-F284 HydrophobicContact CB-CD2 3.73Å; L280-F284 HydrophobicContact CB-CE2 3.74Å; L280-F284 HydrophobicContact CB-CG 4.18Å; L280-F284 HydrophobicContact CB-CZ 4.15Å; L280-F284 HydrophobicContact CD1-CD1 4.07Å; L280-F284 HydrophobicContact CD1-CE1 3.88Å; L280-F284 HydrophobicContact CD1-CG 4.46Å; L280-F284 HydrophobicContact CD1-CZ 4.13Å; Q281-F284 VanDerWaalsContact O-CE2 3.27Å; Q281-F284 WeakPolarHBondContact O-CE2 3.46Å; F284-Y286 HydrophobicContact CB-CE2 3.72Å; F284-Y286 WeakPolarHBondContact O-CD2 3.49Å; F284-Y286 WeakPolarHBondContact O-CE2 3.47Å
285	N	95.9	Very high	94.2	Very high	69 Å²	69	57.6 Å²	57.6	37%	0.369	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	133.6	172.4	-166.2	12.9	0	0	0	110.3	L250 L251	L250-N285 CarbonylContact O-C 3.6Å; L250-N285 WeakPolarHBondContact O-CA 3.38Å; L250-N285 PolarHBondContact O-OD1 3.4Å; L251-N285 HydrophobicContact CD1-CB 4.48Å
286	Y	97.4	Very high	93.4	Very high	27 Å²	27	64 Å²	64	11%	0.106	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	121.9	176.8	-58.8	-90.8	0	0	0	109.4	E249 L250 V252 T277 T278 F279 L280 F284	E249-Y286 CarbonylContact C-O 3.59Å; E249-Y286 VanDerWaalsContact CA-O 3.32Å; E249-Y286 WeakPolarHBondContact CA-O 3.44Å; L250-Y286 PolarHBondContact N-O 2.97Å; L250-Y286 PolarHBondContact O-N 2.83Å; V252-Y286 HydrophobicContact CB-CD2 4.14Å; V252-Y286 HydrophobicContact CB-CE2 3.94Å; V252-Y286 HydrophobicContact CG2-CD2 4.22Å; V252-Y286 HydrophobicContact CG2-CE2 4.49Å; T277-Y286 HydrophobicContact CG2-CD1 3.73Å; T277-Y286 HydrophobicContact CG2-CE1 4.07Å; T278-Y286 WeakPolarHBondContact O-CE1 3.48Å; F279-Y286 VanDerWaalsContact CA-OH 3.29Å; F279-Y286 WeakPolarHBondContact CA-OH 3.28Å; F279-Y286 HydrophobicContact CD1-CD2 4.16Å; F279-Y286 HydrophobicContact CD1-CE1 4.1Å; F279-Y286 AromaticContact CD1-CE2 3.69Å; F279-Y286 HydrophobicContact CD1-CE2 3.69Å; F279-Y286 AromaticContact CD1-CZ 3.66Å; F279-Y286 HydrophobicContact CE1-CD2 4.11Å; F279-Y286 HydrophobicContact CE1-CE2 4.11Å; F279-Y286 HydrophobicContact CE1-CG 4.39Å; L280-Y286 PolarHBondContact N-OH 3.45Å; F284-Y286 HydrophobicContact CB-CE2 3.72Å; F284-Y286 WeakPolarHBondContact O-CD2 3.49Å; F284-Y286 WeakPolarHBondContact O-CE2 3.47Å
287	S	96.8	Very high	93	Very high	67 Å²	67	66.4 Å²	66.4	47%	0.469	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	134.5	-178.5	-175	0	0	0	0	111.7
288	F	97.6	Very high	92.9	Very high	12 Å²	12	66.7 Å²	66.7	5%	0.053	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	148	179.4	-54.9	-87.2	0	0	0	110.1	Q247 V248 L250 V262 I264 A275 T277	Q247-F288 CarbonylContact C-O 3.41Å; Q247-F288 WeakPolarHBondContact CA-O 3.27Å; V248-F288 PolarHBondContact N-O 2.97Å; V248-F288 PolarHBondContact O-N 3.14Å; L250-F288 HydrophobicContact CD1-CD2 4.35Å; L250-F288 HydrophobicContact CD1-CE2 3.75Å; L250-F288 HydrophobicContact CG-CD2 4.43Å; L250-F288 HydrophobicContact CG-CE2 4.11Å; V262-F288 HydrophobicContact CB-CE1 3.93Å; V262-F288 HydrophobicContact CB-CE2 4.41Å; V262-F288 HydrophobicContact CB-CZ 3.79Å; V262-F288 HydrophobicContact CG1-CD2 4.47Å; V262-F288 HydrophobicContact CG1-CE1 4.26Å; V262-F288 HydrophobicContact CG1-CE2 4.06Å; V262-F288 HydrophobicContact CG1-CZ 3.95Å; V262-F288 HydrophobicContact CG2-CE1 4.2Å; V262-F288 HydrophobicContact CG2-CE2 4.33Å; V262-F288 HydrophobicContact CG2-CZ 3.65Å; I264-F288 HydrophobicContact CD1-CB 3.3Å; I264-F288 HydrophobicContact CD1-CD1 4.38Å; I264-F288 HydrophobicContact CD1-CD2 3.91Å; I264-F288 HydrophobicContact CD1-CG 3.61Å; A275-F288 HydrophobicContact CB-CD1 4.09Å; A275-F288 HydrophobicContact CB-CE1 4.09Å; T277-F288 HydrophobicContact CG2-CZ 4.18Å; T277-F288 WeakPolarHBondContact OG1-CE1 3.5Å
289	T	96.4	Very high	92.8	Very high	41 Å²	41	70.3 Å²	70.3	25%	0.252	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	110.5	177	-49.7	0	0	0	0	110.5	R245 L246 R273	R245-T289 HydrophobicContact CB-CG2 4.03Å; R245-T289 HydrophobicContact CG-CG2 4.46Å; L246-T289 CarbonylContact O-C 3.51Å; L246-T289 WeakPolarHBondContact O-CA 3.33Å; R273-T289 WeakPolarHBondContact CD-O 3.39Å; R273-T289 VanDerWaalsContact NH1-N 3.16Å; R273-T289 PolarHBondContact NH1-O 2.96Å
290	L	95.5	Very high	92.8	Very high	4 Å²	4	72.5 Å²	72.5	2%	0.021	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	115.1	171.3	175.3	64.9	0	0	0	109.2	R245 L246 I264 V266 K272 R273 I292	R245-L290 CarbonylContact C-O 3.57Å; R245-L290 WeakPolarHBondContact CA-O 3.49Å; L246-L290 HydrophobicContact CB-CB 4.29Å; L246-L290 PolarHBondContact N-O 3.37Å; L246-L290 PolarHBondContact O-N 3.13Å; I264-L290 HydrophobicContact CG2-CB 4.44Å; I264-L290 HydrophobicContact CG2-CD2 4.13Å; V266-L290 HydrophobicContact CG2-CD2 4.08Å; K272-L290 VanDerWaalsContact C-CD1 3.49Å; R273-L290 HydrophobicContact CB-CD1 3.63Å; L290-I292 HydrophobicContact CD2-CD1 4.2Å; L290-I292 HydrophobicContact CG-CD1 4.26Å; L290-I292 PolarHBondContact O-N 3.07Å
291	N	93.8	Very high	92.9	Very high	90 Å²	90	69 Å²	69	48%	0.481	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	124.1	170	-64.1	-24.7	0	0	0	108.5	R245	R245-N291 WeakPolarHBondContact CD-OD1 3.47Å; R245-N291 WeakPolarHBondContact CG-OD1 3.16Å
292	I	93.6	Very high	93	Very high	3 Å²	3	65.5 Å²	65.5	2%	0.015	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-77.4	129.5	-179	-57.9	-58.1	0	0	0	109.3	Q243 W244 L246 L269 L290 V298 F334	Q243-I292 PolarHBondContact NE2-O 3.39Å; W244-I292 HydrophobicContact CB-CB 3.91Å; W244-I292 HydrophobicContact CB-CG1 3.89Å; W244-I292 WeakPolarHBondContact O-CB 3.13Å; W244-I292 PolarHBondContact O-N 3.45Å; L246-I292 HydrophobicContact CB-CD1 4.14Å; L269-I292 HydrophobicContact CB-CG2 4.31Å; L269-I292 HydrophobicContact CD1-CG2 3.82Å; L290-I292 HydrophobicContact CD2-CD1 4.2Å; L290-I292 HydrophobicContact CG-CD1 4.26Å; L290-I292 PolarHBondContact O-N 3.07Å; I292-V298 HydrophobicContact CG2-CG2 3.81Å; I292-F334 HydrophobicContact CD1-CE1 4.27Å; I292-F334 HydrophobicContact CD1-CZ 4.01Å; I292-F334 HydrophobicContact CG1-CE1 3.9Å; I292-F334 HydrophobicContact CG1-CZ 4.1Å
293	N	85.8	Confident	93.1	Very high	48 Å²	48	64.6 Å²	64.6	26%	0.257	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-65.3	132.8	-179.7	-166.5	-17.2	0	0	0	110.7	N270 S271 I295	N270-N293 PolarHBondContact O-ND2 2.61Å; S271-N293 WeakPolarHBondContact OG-CB 3.09Å; S271-N293 PolarHBondContact OG-N 3.28Å; N293-I295 VanDerWaalsContact C-N 3.29Å; N293-I295 WeakPolarHBondContact ND2-CD1 3.42Å; N293-I295 PolarHBondContact O-N 3.31Å; N293-I295 WeakPolarHBondContact OD1-CG1 3.17Å; N293-I295 PolarHBondContact OD1-N 3.39Å; N293-I295 VanDerWaalsContact OD1-N 3.09Å
294	Q	79.4	Confident	93.2	Very high	97 Å²	97	61.3 Å²	61.3	45%	0.453	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-3.6	-180	-68.4	177.1	-27.2	0	0	113.5	S242 Q243 R296	S242-Q294 PolarHBondContact O-NE2 2.69Å; Q243-Q294 HydrophobicContact CG-CG 4.33Å; Q294-R296 PolarHBondContact O-N 3.02Å
295	I	78.3	Confident	93.1	Very high	128 Å²	128	60.8 Å²	60.8	66%	0.656	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-30.1	178.3	-69.4	171.2	0	0	0	112	N293	N293-I295 VanDerWaalsContact C-N 3.29Å; N293-I295 WeakPolarHBondContact ND2-CD1 3.42Å; N293-I295 PolarHBondContact O-N 3.31Å; N293-I295 WeakPolarHBondContact OD1-CG1 3.17Å; N293-I295 PolarHBondContact OD1-N 3.39Å; N293-I295 VanDerWaalsContact OD1-N 3.09Å
296	R	80.1	Confident	93.1	Very high	144 Å²	144	59.2 Å²	59.2	54%	0.543	31%	0.31	S	S	.	.	S	Bend	trans	-118.6	138.9	176.4	-68.3	-175.1	174.7	-162.5	-4.1	109.8	E268 L269 Q294 V298	E268-R296 WeakPolarHBondContact O-CD 3.48Å; E268-R296 PolarHBondContact O-NH1 3.4Å; L269-R296 HydrophobicContact CD2-CB 4.48Å; Q294-R296 PolarHBondContact O-N 3.02Å; R296-V298 PolarHBondContact O-N 3.05Å
297	E	88.8	Confident	93	Very high	174 Å²	174	59.6 Å²	59.6	81%	0.813	32%	0.322	S	S	*	.			trans	-64.7	133.2	172.1	-171.9	179.8	-177.3	0	0	110.2
298	V	94.2	Very high	93.1	Very high	20 Å²	20	62.7 Å²	62.7	12%	0.121	33%	0.333	C	S	.	.			trans	-84.3	114.7	173.8	-180	0	0	0	0	107.9	L269 I292 R296 L300 Y312 F334	L269-V298 HydrophobicContact CD1-CG2 4.18Å; L269-V298 HydrophobicContact CD2-CG2 4.24Å; I292-V298 HydrophobicContact CG2-CG2 3.81Å; R296-V298 PolarHBondContact O-N 3.05Å; V298-L300 HydrophobicContact CG1-CD2 4.35Å; V298-Y312 HydrophobicContact CG1-CE2 4.46Å; V298-F334 HydrophobicContact CG1-CB 3.52Å; V298-F334 HydrophobicContact CG1-CD1 3.95Å; V298-F334 HydrophobicContact CG1-CD2 3.57Å; V298-F334 HydrophobicContact CG1-CE2 4.27Å; V298-F334 HydrophobicContact CG1-CG 3.39Å
299	K	96.2	Very high	93.1	Very high	143 Å²	143	64.7 Å²	64.7	62%	0.622	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-73.4	129.5	172.4	-60.8	-175.1	174.4	-172.7	0	108.8	P310 Y312	K299-P310 HydrophobicContact CB-CB 3.97Å; K299-P310 HydrophobicContact CB-CG 3.71Å; K299-Y312 WeakPolarHBondContact CB-OH 3.29Å; K299-Y312 PolarHBondContact N-OH 2.87Å
300	L	97.6	Very high	93.2	Very high	48 Å²	48	64.1 Å²	64.1	25%	0.251	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-90.2	145.6	-175.8	-55.3	-179	0	0	0	111.3	W244 V298 W302 P310 F334 N357	W244-L300 HydrophobicContact CZ2-CD2 3.57Å; V298-L300 HydrophobicContact CG1-CD2 4.35Å; L300-W302 VanDerWaalsContact O-CD1 3.28Å; L300-P310 VanDerWaalsContact O-CD 3.29Å; L300-P310 WeakPolarHBondContact O-CD 3.46Å; L300-P310 VanDerWaalsContact O-CG 3.23Å; L300-P310 WeakPolarHBondContact O-CG 3.23Å; L300-F334 CarbonylContact C-O 3.49Å; L300-F334 VanDerWaalsContact CA-O 3.22Å; L300-F334 WeakPolarHBondContact CA-O 3.39Å; L300-F334 HydrophobicContact CD2-CB 4.05Å; L300-N357 HydrophobicContact CD1-CB 3.88Å
301	W	98.7	Very high	93.2	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-73	134.5	167.1	-179	99.9	0	0	0	110	P303 F333 F334 R335 N357 D416 M421 P458	W301-P303 HydrophobicContact CH2-CG 4.46Å; W301-P303 HydrophobicContact CZ3-CG 4.03Å; W301-F333 HydrophobicContact CB-CB 4.25Å; W301-F333 AromaticContact CD1-CD1 3.67Å; W301-F333 HydrophobicContact CG-CD1 4.42Å; W301-F334 PolarHBondContact N-O 3.18Å; W301-R335 HydrophobicContact CB-CB 4.38Å; W301-R335 HydrophobicContact CE3-CB 4.45Å; W301-R335 HydrophobicContact CE3-CG 4.1Å; W301-N357 PolarHBondContact O-ND2 3Å; W301-D416 PolarHBondContact NE1-O 2.89Å; W301-M421 HydrophobicContact CH2-CG 4.07Å; W301-M421 HydrophobicContact CZ3-CG 4.39Å; W301-P458 HydrophobicContact CD2-CB 3.87Å; W301-P458 HydrophobicContact CD2-CG 4.18Å; W301-P458 HydrophobicContact CE3-CB 4.21Å; W301-P458 HydrophobicContact CG-CB 4.02Å; W301-P458 HydrophobicContact CG-CG 4.15Å
302	W	98.6	Very high	93.4	Very high	56 Å²	56	62.9 Å²	62.9	21%	0.212	34%	0.338	C	S	.	.			trans	-124.8	150.9	177.1	-72.3	91.6	0	0	0	112	L300 L306 D308 Q309 I356 N357 R359	L300-W302 VanDerWaalsContact O-CD1 3.28Å; W302-L306 HydrophobicContact CE3-CB 4.36Å; W302-D308 PolarHBondContact N-O 3.42Å; W302-Q309 PolarHBondContact O-NE2 2.85Å; W302-I356 WeakPolarHBondContact CZ3-O 3.47Å; W302-N357 VanDerWaalsContact CE2-ND2 3.32Å; W302-N357 HydrophobicContact CH2-CB 3.51Å; W302-N357 HydrophobicContact CZ2-CB 3.63Å; W302-N357 HydrophobicContact CZ3-CB 4.05Å; W302-R359 HydrophobicContact CH2-CB 4.3Å; W302-R359 HydrophobicContact CZ3-CB 4.22Å
303	P	98.5	Very high	93.6	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	35%	0.352	C	S	.	.			trans	-63	159.6	171.1	-20.4	33.4	0	0	0	112.5	W301 G305 L306 I356 N396 G419 M421	W301-P303 HydrophobicContact CH2-CG 4.46Å; W301-P303 HydrophobicContact CZ3-CG 4.03Å; P303-G305 PolarHBondContact O-N 3.02Å; P303-L306 HydrophobicContact CB-CD1 4.25Å; P303-L306 HydrophobicContact CG-CD1 4.29Å; P303-L306 WeakPolarHBondContact O-CB 3.39Å; P303-L306 PolarHBondContact O-N 3.26Å; P303-I356 HydrophobicContact CG-CG1 4.24Å; P303-I356 HydrophobicContact CG-CG2 4.22Å; P303-N396 HydrophobicContact CB-CB 4.35Å; P303-G419 CarbonylContact C-O 3.59Å; P303-G419 WeakPolarHBondContact CA-O 3.48Å; P303-M421 HydrophobicContact CB-CE 4Å; P303-M421 HydrophobicContact CB-CG 3.96Å; P303-M421 HydrophobicContact CB-SD 3.99Å; P303-M421 HydrophobicContact CG-CE 4Å; P303-M421 HydrophobicContact CG-CG 3.81Å; P303-M421 HydrophobicContact CG-SD 3.45Å; P303-M421 WeakPolarHBondContact CG-SD 3.41Å
304	S	97.4	Very high	94.2	Very high	28 Å²	28	63.3 Å²	63.3	20%	0.196	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	135	178.8	-166.1	0	0	0	0	111.3	L306 L418 G419	S304-L306 VanDerWaalsContact C-N 3.25Å; S304-L306 PolarHBondContact O-N 3.4Å; S304-L418 WeakPolarHBondContact CB-O 3.47Å; S304-G419 PolarHBondContact N-O 3.28Å
305	G	94.8	Very high	95.1	Very high	78 Å²	78	59 Å²	59	80%	0.804	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	-1.4	-175.7	0	0	0	0	0	115.6	P303	P303-G305 PolarHBondContact O-N 3.02Å
306	L	95.7	Very high	96.1	Very high	36 Å²	36	53 Å²	53	19%	0.188	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.4	-10.1	-178.8	-58.7	-179.8	0	0	0	114.6	W302 P303 S304 V361	W302-L306 HydrophobicContact CE3-CB 4.36Å; P303-L306 HydrophobicContact CB-CD1 4.25Å; P303-L306 HydrophobicContact CG-CD1 4.29Å; P303-L306 WeakPolarHBondContact O-CB 3.39Å; P303-L306 PolarHBondContact O-N 3.26Å; S304-L306 VanDerWaalsContact C-N 3.25Å; S304-L306 PolarHBondContact O-N 3.4Å; L306-V361 HydrophobicContact CD1-CB 4.31Å; L306-V361 HydrophobicContact CD1-CG1 3.65Å; L306-V361 HydrophobicContact CD1-CG2 3.65Å
307	G	95.7	Very high	96.9	Very high	34 Å²	34	49.4 Å²	49.4	35%	0.351	28%	0.276	S	S	.	.	S	Bend	trans	163.8	-169.1	177.2	0	0	0	0	0	112	Q309	G307-Q309 PolarHBondContact O-NE2 3.08Å
308	D	97.6	Very high	97.3	Very high	132 Å²	132	41.1 Å²	41.1	71%	0.706	24%	0.238	S	C	*	.			trans	-84.6	167.4	178.9	-62.7	-29.3	0	0	0	112.6	W302 P310	W302-D308 PolarHBondContact N-O 3.42Å; D308-P310 WeakPolarHBondContact O-CD 3.27Å
309	Q	98.4	Very high	97.3	Very high	54 Å²	54	41.7 Å²	41.7	25%	0.252	24%	0.238	S	C	.	.			trans	-113.7	57.4	179.2	-63.2	69.6	43	0	0	112.4	W302 G307 A311	W302-Q309 PolarHBondContact O-NE2 2.85Å; G307-Q309 PolarHBondContact O-NE2 3.08Å; Q309-A311 PolarHBondContact O-N 2.83Å
310	P	98.1	Very high	97.2	Very high	29 Å²	29	38.1 Å²	38.1	19%	0.188	23%	0.226	C	C	.	.			trans	-62.3	129.4	-177.2	27.5	-37.3	0	0	0	112.6	K299 L300 D308 F333	K299-P310 HydrophobicContact CB-CB 3.97Å; K299-P310 HydrophobicContact CB-CG 3.71Å; L300-P310 VanDerWaalsContact O-CD 3.29Å; L300-P310 WeakPolarHBondContact O-CD 3.46Å; L300-P310 VanDerWaalsContact O-CG 3.23Å; L300-P310 WeakPolarHBondContact O-CG 3.23Å; D308-P310 WeakPolarHBondContact O-CD 3.27Å; P310-F333 WeakPolarHBondContact O-CD1 3.32Å
311	A	97	Very high	96.9	Very high	47 Å²	47	38.4 Å²	38.4	39%	0.388	24%	0.241	S	C	.	.			trans	-108.4	150.7	172	0	0	0	0	0	110.8	Q309 R331 F333	Q309-A311 PolarHBondContact O-N 2.83Å; A311-R331 HydrophobicContact CB-CB 4.46Å; A311-F333 HydrophobicContact CB-CD1 3.9Å; A311-F333 HydrophobicContact CB-CE1 3.4Å; A311-F333 VanDerWaalsContact CB-CE1 3.4Å; A311-F333 HydrophobicContact CB-CZ 3.78Å
312	Y	97.4	Very high	96.4	Very high	22 Å²	22	44.7 Å²	44.7	9%	0.086	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	146.4	173.4	-64.6	-89	0	0	0	110.6	V266 E268 L269 V298 K299 L314 R331 V332 F334	V266-Y312 HydrophobicContact CG1-CD1 4.36Å; V266-Y312 HydrophobicContact CG1-CG 4.38Å; E268-Y312 HydrophobicContact CB-CD1 3.86Å; E268-Y312 HydrophobicContact CB-CE1 4.25Å; L269-Y312 HydrophobicContact CD1-CD1 4.06Å; L269-Y312 HydrophobicContact CD1-CE1 4.05Å; L269-Y312 HydrophobicContact CD1-CG 4.31Å; L269-Y312 HydrophobicContact CD2-CD1 4.23Å; L269-Y312 HydrophobicContact CD2-CE1 3.53Å; L269-Y312 HydrophobicContact CG-CD1 3.81Å; L269-Y312 HydrophobicContact CG-CE1 3.66Å; V298-Y312 HydrophobicContact CG1-CE2 4.46Å; K299-Y312 WeakPolarHBondContact CB-OH 3.29Å; K299-Y312 PolarHBondContact N-OH 2.87Å; Y312-L314 PolarHBondContact O-N 3.43Å; Y312-R331 CarbonylContact O-C 3.26Å; Y312-R331 WeakPolarHBondContact O-CA 3.46Å; Y312-V332 PolarHBondContact N-O 3.19Å; Y312-V332 PolarHBondContact O-N 3.21Å; Y312-F334 AromaticContact CD2-CD2 3.59Å; Y312-F334 HydrophobicContact CD2-CD2 3.59Å; Y312-F334 AromaticContact CD2-CE2 3.62Å; Y312-F334 HydrophobicContact CD2-CE2 3.62Å; Y312-F334 AromaticContact CE2-CD2 3.76Å; Y312-F334 HydrophobicContact CE2-CD2 3.76Å; Y312-F334 HydrophobicContact CE2-CE2 4.1Å; Y312-F334 HydrophobicContact CG-CE2 4.16Å
313	L	97.7	Very high	96.2	Very high	59 Å²	59	45.1 Å²	45.1	31%	0.309	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	115.4	176.1	-171.5	65.5	0	0	0	110.6	E268 E329	E268-L313 WeakPolarHBondContact OE1-CB 3.33Å; E268-L313 PolarHBondContact OE1-N 3.07Å; L313-E329 HydrophobicContact CD1-CB 3.99Å; L313-E329 HydrophobicContact CD1-CG 4.4Å
314	L	98.1	Very high	96	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	119.9	167.4	170.7	62.7	0	0	0	109.2	L246 V248 I264 V266 Y312 V316 E329 S330 V332	L246-L314 HydrophobicContact CD2-CD1 4.01Å; L246-L314 HydrophobicContact CD2-CD2 4.33Å; V248-L314 HydrophobicContact CG1-CD2 4.46Å; V248-L314 HydrophobicContact CG2-CD1 4.35Å; V248-L314 HydrophobicContact CG2-CD2 4.05Å; I264-L314 HydrophobicContact CG2-CD1 3.62Å; V266-L314 HydrophobicContact CG2-CD1 4.19Å; Y312-L314 PolarHBondContact O-N 3.43Å; L314-V316 HydrophobicContact CD1-CG2 4.28Å; L314-V316 HydrophobicContact CD2-CG2 4.42Å; L314-V316 HydrophobicContact CG-CG2 4.17Å; L314-E329 CarbonylContact O-C 3.55Å; L314-E329 VanDerWaalsContact O-CA 3.3Å; L314-E329 WeakPolarHBondContact O-CA 3.19Å; L314-S330 PolarHBondContact N-O 3.34Å; L314-S330 PolarHBondContact O-N 3.41Å; L314-V332 HydrophobicContact CB-CB 4.49Å; L314-V332 HydrophobicContact CB-CG1 4.32Å
315	T	98.4	Very high	95.8	Very high	7 Å²	7	45.6 Å²	45.6	4%	0.043	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	128.4	171.5	-50.4	0	0	0	0	110.4	I264 S265 R317 E329	I264-T315 WeakPolarHBondContact CA-O 3.48Å; S265-T315 PolarHBondContact N-O 2.93Å; S265-T315 PolarHBondContact O-N 3.15Å; T315-R317 HydrophobicContact CG2-CG 4.22Å; T315-E329 HydrophobicContact CG2-CG 4.25Å
316	V	98.1	Very high	95.8	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	126.4	174.5	-177.7	0	0	0	0	109.1	L229 V248 L250 V262 E263 L314 H327 K328	L229-V316 HydrophobicContact CD1-CG2 4.11Å; L229-V316 HydrophobicContact CD2-CG2 4.45Å; V248-V316 HydrophobicContact CG1-CG2 4.06Å; L250-V316 HydrophobicContact CD1-CG1 3.86Å; L250-V316 HydrophobicContact CD2-CG1 3.98Å; V262-V316 HydrophobicContact CG1-CG1 4.24Å; E263-V316 CarbonylContact O-C 3.53Å; E263-V316 WeakPolarHBondContact O-CA 3.49Å; L314-V316 HydrophobicContact CD1-CG2 4.28Å; L314-V316 HydrophobicContact CD2-CG2 4.42Å; L314-V316 HydrophobicContact CG-CG2 4.17Å; V316-H327 WeakPolarHBondContact O-CA 3.36Å; V316-K328 PolarHBondContact N-O 2.78Å; V316-K328 PolarHBondContact O-N 3.43Å
317	R	97.6	Very high	95.8	Very high	70 Å²	70	44.8 Å²	44.8	26%	0.264	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	136.4	175.5	-65.4	-179.9	-177.5	117.1	4.1	110.7	V262 E263 T315 F319 L324 L326 H327	V262-R317 CarbonylContact C-O 3.26Å; V262-R317 WeakPolarHBondContact CA-O 3.48Å; E263-R317 HydrophobicContact CB-CB 4.38Å; E263-R317 PolarHBondContact N-O 2.94Å; E263-R317 PolarHBondContact O-N 3.43Å; T315-R317 HydrophobicContact CG2-CG 4.22Å; R317-F319 HydrophobicContact CB-CD2 4.47Å; R317-F319 HydrophobicContact CB-CE2 3.63Å; R317-F319 HydrophobicContact CB-CZ 3.99Å; R317-L324 HydrophobicContact CB-CD1 3.93Å; R317-L324 HydrophobicContact CG-CD1 4.19Å; R317-L326 CarbonylContact C-O 3.5Å; R317-L326 WeakPolarHBondContact CA-O 3.26Å; R317-H327 PolarHBondContact NE-NE2 3.43Å; R317-H327 PolarHBondContact NH2-NE2 2.91Å; R317-H327 VanDerWaalsContact NH2-NE2 3.13Å
318	A	96.8	Very high	95.8	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	144.7	170.3	0	0	0	0	0	110.4	K261 V262 F279 V325 L326	K261-A318 CarbonylContact O-C 3.59Å; K261-A318 VanDerWaalsContact O-CA 3.28Å; K261-A318 WeakPolarHBondContact O-CA 3.39Å; V262-A318 HydrophobicContact CG2-CB 4.06Å; F279-A318 HydrophobicContact CE2-CB 4.48Å; F279-A318 HydrophobicContact CZ-CB 4.14Å; A318-V325 HydrophobicContact CB-CG2 3.88Å; A318-V325 VanDerWaalsContact O-CG2 3.24Å; A318-V325 WeakPolarHBondContact O-CG2 3.47Å; A318-V325 PolarHBondContact O-N 2.93Å; A318-L326 HydrophobicContact CB-CB 3.72Å; A318-L326 HydrophobicContact CB-CD2 4.37Å; A318-L326 PolarHBondContact N-O 3.37Å; A318-L326 PolarHBondContact O-N 2.81Å
319	F	95.9	Very high	95.8	Very high	31 Å²	31	46.2 Å²	46.2	14%	0.136	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	143.9	-176.5	-53.9	-103.2	0	0	0	112.2	G260 K261 E263 R317 F323 L324	G260-F319 CarbonylContact C-O 3.53Å; G260-F319 WeakPolarHBondContact CA-O 3.4Å; K261-F319 HydrophobicContact CD-CB 4.21Å; K261-F319 HydrophobicContact CD-CD2 4.23Å; K261-F319 HydrophobicContact CD-CG 4.43Å; K261-F319 VanDerWaalsContact CE-CG 3.4Å; K261-F319 HydrophobicContact CG-CB 3.68Å; K261-F319 HydrophobicContact CG-CD2 3.9Å; K261-F319 HydrophobicContact CG-CG 4.17Å; K261-F319 PolarHBondContact N-O 3.3Å; K261-F319 PolarHBondContact O-N 3.46Å; E263-F319 HydrophobicContact CB-CE2 4.31Å; R317-F319 HydrophobicContact CB-CD2 4.47Å; R317-F319 HydrophobicContact CB-CE2 3.63Å; R317-F319 HydrophobicContact CB-CZ 3.99Å; F319-F323 CarbonylContact C-O 3.47Å; F319-F323 WeakPolarHBondContact CA-O 3.27Å; F319-F323 WeakPolarHBondContact CB-O 3.35Å; F319-L324 HydrophobicContact CD1-CB 4.09Å; F319-L324 HydrophobicContact CD1-CD1 3.93Å; F319-L324 HydrophobicContact CE1-CB 4.07Å; F319-L324 HydrophobicContact CE1-CD1 3.53Å; F319-L324 HydrophobicContact CE1-CG 4.38Å; F319-L324 HydrophobicContact CE2-CD1 4.21Å; F319-L324 HydrophobicContact CG-CD1 4.42Å; F319-L324 HydrophobicContact CZ-CD1 3.7Å
320	L	93.8	Very high	95.7	Very high	68 Å²	68	45.2 Å²	45.2	36%	0.356	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	101.8	164.6	174.1	60.6	0	0	0	107.9	I223 F258 H259 T322 F323 V325	I223-L320 HydrophobicContact CD1-CD2 4.34Å; F258-L320 HydrophobicContact CB-CD1 4.25Å; F258-L320 HydrophobicContact CD2-CB 4.41Å; F258-L320 HydrophobicContact CD2-CD1 3.79Å; F258-L320 HydrophobicContact CE2-CB 4.45Å; F258-L320 HydrophobicContact CG-CD1 4.33Å; H259-L320 WeakPolarHBondContact O-CD1 3.41Å; L320-T322 PolarHBondContact O-N 3.13Å; L320-F323 PolarHBondContact N-O 3.39Å; L320-F323 WeakPolarHBondContact O-CB 3.2Å; L320-F323 PolarHBondContact O-N 3.02Å; L320-V325 HydrophobicContact CB-CG1 3.92Å
321	G	90.4	Very high	95.6	Very high	55 Å²	55	48.2 Å²	48.2	57%	0.567	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	-113.9	-167.9	0	0	0	0	0	111.8	K261	K261-G321 WeakPolarHBondContact CE-O 3.34Å
322	T	89.3	Confident	95.6	Very high	131 Å²	131	46 Å²	46	80%	0.804	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.1	-9	173.4	53.5	0	0	0	0	113.5	L320	L320-T322 PolarHBondContact O-N 3.13Å
323	F	92.4	Very high	95.6	Very high	66 Å²	66	45.5 Å²	45.5	29%	0.289	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	127.8	-177.2	-175.1	-93	0	0	0	110.4	G26 E28 I223 F319 L320 V325	G26-F323 VanDerWaalsContact CA-CE2 3.46Å; G26-F323 WeakPolarHBondContact O-CD2 3.37Å; G26-F323 WeakPolarHBondContact O-CE2 3.42Å; G26-F323 WeakPolarHBondContact O-CG 3.2Å; E28-F323 HydrophobicContact CB-CE1 3.82Å; E28-F323 HydrophobicContact CB-CZ 4.25Å; E28-F323 VanDerWaalsContact N-CZ 3.3Å; I223-F323 HydrophobicContact CD1-CD1 4.13Å; I223-F323 HydrophobicContact CD1-CE1 3.69Å; F319-F323 CarbonylContact C-O 3.47Å; F319-F323 WeakPolarHBondContact CA-O 3.27Å; F319-F323 WeakPolarHBondContact CB-O 3.35Å; L320-F323 PolarHBondContact N-O 3.39Å; L320-F323 WeakPolarHBondContact O-CB 3.2Å; L320-F323 PolarHBondContact O-N 3.02Å; F323-V325 HydrophobicContact CD1-CG1 3.57Å; F323-V325 HydrophobicContact CE1-CG1 3.91Å
324	L	94.3	Very high	95.6	Very high	29 Å²	29	42.7 Å²	42.7	15%	0.152	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	116.1	-179.5	-179.6	68.4	0	0	0	109.3	E27 E28 R317 F319 L326 H327	E27-L324 CarbonylContact C-O 3.55Å; E27-L324 WeakPolarHBondContact CA-O 3.5Å; E27-L324 HydrophobicContact CG-CB 4.36Å; E27-L324 HydrophobicContact CG-CD2 4.08Å; E27-L324 HydrophobicContact CG-CG 4.31Å; E28-L324 PolarHBondContact N-O 2.9Å; R317-L324 HydrophobicContact CB-CD1 3.93Å; R317-L324 HydrophobicContact CG-CD1 4.19Å; F319-L324 HydrophobicContact CD1-CB 4.09Å; F319-L324 HydrophobicContact CD1-CD1 3.93Å; F319-L324 HydrophobicContact CE1-CB 4.07Å; F319-L324 HydrophobicContact CE1-CD1 3.53Å; F319-L324 HydrophobicContact CE1-CG 4.38Å; F319-L324 HydrophobicContact CE2-CD1 4.21Å; F319-L324 HydrophobicContact CG-CD1 4.42Å; F319-L324 HydrophobicContact CZ-CD1 3.7Å; L324-L326 VanDerWaalsContact CD1-O 3.23Å; L324-L326 WeakPolarHBondContact CD1-O 3.18Å; L324-H327 HydrophobicContact CD2-CB 4.2Å
325	V	94.6	Very high	95.6	Very high	9 Å²	9	43.5 Å²	43.5	6%	0.055	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-19.9	-178.3	-61.7	0	0	0	0	113	E28 I223 L224 F258 A318 L320 F323	E28-V325 HydrophobicContact CB-CB 4.47Å; E28-V325 WeakPolarHBondContact OE2-CB 3.47Å; I223-V325 HydrophobicContact CD1-CG1 3.67Å; I223-V325 HydrophobicContact CG2-CG1 4.14Å; L224-V325 HydrophobicContact CD2-CB 4.03Å; L224-V325 HydrophobicContact CD2-CG2 3.62Å; L224-V325 HydrophobicContact CG-CB 4.44Å; F258-V325 HydrophobicContact CZ-CG2 4.47Å; A318-V325 HydrophobicContact CB-CG2 3.88Å; A318-V325 VanDerWaalsContact O-CG2 3.24Å; A318-V325 WeakPolarHBondContact O-CG2 3.47Å; A318-V325 PolarHBondContact O-N 2.93Å; L320-V325 HydrophobicContact CB-CG1 3.92Å; F323-V325 HydrophobicContact CD1-CG1 3.57Å; F323-V325 HydrophobicContact CE1-CG1 3.91Å
326	L	94.5	Very high	95.5	Very high	18 Å²	18	44.8 Å²	44.8	9%	0.094	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	135	176.8	-179.4	59.8	0	0	0	109.7	L224 L226 L250 R317 A318 L324	L224-L326 HydrophobicContact CD1-CB 4.25Å; L224-L326 HydrophobicContact CD1-CD1 4.46Å; L226-L326 HydrophobicContact CB-CD1 3.63Å; L226-L326 HydrophobicContact CB-CD2 4.29Å; L226-L326 HydrophobicContact CD1-CD2 4.29Å; L226-L326 HydrophobicContact CD2-CD1 3.97Å; L226-L326 HydrophobicContact CD2-CD2 4.34Å; L226-L326 HydrophobicContact CG-CD1 4.37Å; L250-L326 HydrophobicContact CD1-CD2 4.48Å; R317-L326 CarbonylContact C-O 3.5Å; R317-L326 WeakPolarHBondContact CA-O 3.26Å; A318-L326 HydrophobicContact CB-CB 3.72Å; A318-L326 HydrophobicContact CB-CD2 4.37Å; A318-L326 PolarHBondContact N-O 3.37Å; A318-L326 PolarHBondContact O-N 2.81Å; L324-L326 VanDerWaalsContact CD1-O 3.23Å; L324-L326 WeakPolarHBondContact CD1-O 3.18Å
327	H	95.4	Very high	95.5	Very high	79 Å²	79	45.3 Å²	45.3	37%	0.366	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	119.9	164.6	-175.1	-163.4	0	0	0	108.7	V316 R317 L324 E329	V316-H327 WeakPolarHBondContact O-CA 3.36Å; R317-H327 PolarHBondContact NE-NE2 3.43Å; R317-H327 PolarHBondContact NH2-NE2 2.91Å; R317-H327 VanDerWaalsContact NH2-NE2 3.13Å; L324-H327 HydrophobicContact CD2-CB 4.2Å; H327-E329 IonicContact NE2-OE1 3.6Å
328	K	96.1	Very high	95.6	Very high	102 Å²	102	46.2 Å²	46.2	44%	0.443	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	139.9	177.4	-173.8	63.8	-179.3	178.3	0	110.5	L226 L229 V316	L226-K328 HydrophobicContact CD2-CB 3.85Å; L226-K328 HydrophobicContact CD2-CD 4.38Å; L226-K328 HydrophobicContact CD2-CG 3.78Å; L229-K328 HydrophobicContact CD2-CB 4.38Å; L229-K328 HydrophobicContact CD2-CG 3.63Å; V316-K328 PolarHBondContact N-O 2.78Å; V316-K328 PolarHBondContact O-N 3.43Å
329	E	96.6	Very high	95.7	Very high	94 Å²	94	47.5 Å²	47.5	44%	0.439	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	147.3	171.9	-67.9	-178.2	166.6	0	0	110.1	L313 L314 T315 H327	L313-E329 HydrophobicContact CD1-CB 3.99Å; L313-E329 HydrophobicContact CD1-CG 4.4Å; L314-E329 CarbonylContact O-C 3.55Å; L314-E329 VanDerWaalsContact O-CA 3.3Å; L314-E329 WeakPolarHBondContact O-CA 3.19Å; T315-E329 HydrophobicContact CG2-CG 4.25Å; H327-E329 IonicContact NE2-OE1 3.6Å
330	S	96.3	Very high	95.8	Very high	32 Å²	32	47.2 Å²	47.2	22%	0.224	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	162.2	177.2	57.7	0	0	0	0	110.4	L229 L314	L229-S330 WeakPolarHBondContact CD2-OG 3.44Å; L314-S330 PolarHBondContact N-O 3.34Å; L314-S330 PolarHBondContact O-N 3.41Å
331	R	96.1	Very high	96	Very high	92 Å²	92	46.6 Å²	46.6	35%	0.347	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	140.8	173.3	-63.3	-175.7	-68.9	-171.1	-0.5	109.9	A311 Y312 F333 D413 E417	A311-R331 HydrophobicContact CB-CB 4.46Å; Y312-R331 CarbonylContact O-C 3.26Å; Y312-R331 WeakPolarHBondContact O-CA 3.46Å; R331-F333 HydrophobicContact CB-CE2 3.77Å; R331-F333 HydrophobicContact CB-CZ 4.15Å; R331-D413 IonicContact CZ-OD1 2.82Å; R331-D413 VanDerWaalsContact NH2-CG 3.27Å; R331-D413 IonicContact NH2-OD1 3.62Å; R331-D413 PolarHBondContact NH2-OD1 2.9Å; R331-E417 IonicContact CZ-OE1 2.76Å; R331-E417 IonicContact NH1-OE1 2.68Å; R331-E417 PolarHBondContact NH1-OE1 3.14Å; R331-E417 IonicContact NH2-OE1 3.86Å; R331-E417 PolarHBondContact NH2-OE1 3.15Å
332	V	97.3	Very high	96.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	140.3	170.7	66.7	0	0	0	0	110.2	P233 L246 V266 Y312 L314 F334	P233-V332 HydrophobicContact CG-CG2 3.51Å; L246-V332 HydrophobicContact CD1-CG2 3.62Å; L246-V332 HydrophobicContact CD2-CG1 4.47Å; L246-V332 HydrophobicContact CD2-CG2 4.21Å; V266-V332 HydrophobicContact CG2-CG1 4.44Å; Y312-V332 PolarHBondContact N-O 3.19Å; Y312-V332 PolarHBondContact O-N 3.21Å; L314-V332 HydrophobicContact CB-CB 4.49Å; L314-V332 HydrophobicContact CB-CG1 4.32Å; V332-F334 HydrophobicContact CG1-CE2 4.01Å; V332-F334 HydrophobicContact CG1-CZ 4.34Å; V332-F334 HydrophobicContact CG2-CE2 4.39Å; V332-F334 HydrophobicContact CG2-CZ 4.36Å
333	F	97.8	Very high	96.8	Very high	13 Å²	13	46.6 Å²	46.6	6%	0.057	23%	0.229	C	C	.	.			trans	-129.5	128.6	-175.4	-58.9	-96.5	0	0	0	110	P233 W301 P310 A311 R331 D416 P458	P233-F333 WeakPolarHBondContact CG-O 3.48Å; W301-F333 HydrophobicContact CB-CB 4.25Å; W301-F333 AromaticContact CD1-CD1 3.67Å; W301-F333 HydrophobicContact CG-CD1 4.42Å; P310-F333 WeakPolarHBondContact O-CD1 3.32Å; A311-F333 HydrophobicContact CB-CD1 3.9Å; A311-F333 HydrophobicContact CB-CE1 3.4Å; A311-F333 VanDerWaalsContact CB-CE1 3.4Å; A311-F333 HydrophobicContact CB-CZ 3.78Å; R331-F333 HydrophobicContact CB-CE2 3.77Å; R331-F333 HydrophobicContact CB-CZ 4.15Å; F333-D416 HydrophobicContact CE1-CB 4.48Å; F333-D416 HydrophobicContact CE2-CB 4.24Å; F333-D416 HydrophobicContact CZ-CB 3.99Å; F333-P458 HydrophobicContact CB-CB 3.75Å; F333-P458 HydrophobicContact CB-CG 3.48Å; F333-P458 VanDerWaalsContact CB-CG 3.48Å; F333-P458 HydrophobicContact CD1-CG 4.05Å; F333-P458 VanDerWaalsContact CD2-CD 3.44Å; F333-P458 HydrophobicContact CD2-CG 3.65Å; F333-P458 HydrophobicContact CE2-CG 4.3Å; F333-P458 HydrophobicContact CG-CB 4.32Å; F333-P458 HydrophobicContact CG-CG 3.5Å; F333-P458 VanDerWaalsContact CG-CG 3.5Å
334	F	97.8	Very high	97.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.222	C	C	.	.			trans	-98.1	118.9	-176.2	-64.8	-92.4	0	0	0	110.5	P233 W244 L269 I292 V298 L300 W301 Y312 V332	P233-F334 HydrophobicContact CB-CD1 3.68Å; P233-F334 HydrophobicContact CB-CE1 3.99Å; P233-F334 HydrophobicContact CB-CG 4.42Å; P233-F334 HydrophobicContact CG-CD1 4.23Å; P233-F334 HydrophobicContact CG-CE1 4.34Å; W244-F334 HydrophobicContact CB-CD1 4.32Å; W244-F334 HydrophobicContact CB-CE1 4.31Å; W244-F334 AromaticContact CD2-CD1 3.74Å; W244-F334 HydrophobicContact CD2-CD1 3.74Å; W244-F334 AromaticContact CE3-CD1 3.66Å; W244-F334 HydrophobicContact CE3-CD1 3.66Å; W244-F334 HydrophobicContact CE3-CE1 4.43Å; W244-F334 HydrophobicContact CG-CD1 4.05Å; W244-F334 HydrophobicContact CH2-CB 4.36Å; W244-F334 HydrophobicContact CZ2-CB 4.29Å; W244-F334 HydrophobicContact CZ3-CB 4.49Å; W244-F334 HydrophobicContact CZ3-CD1 4.22Å; L269-F334 HydrophobicContact CD1-CE2 3.74Å; L269-F334 HydrophobicContact CD1-CZ 3.93Å; I292-F334 HydrophobicContact CD1-CE1 4.27Å; I292-F334 HydrophobicContact CD1-CZ 4.01Å; I292-F334 HydrophobicContact CG1-CE1 3.9Å; I292-F334 HydrophobicContact CG1-CZ 4.1Å; V298-F334 HydrophobicContact CG1-CB 3.52Å; V298-F334 HydrophobicContact CG1-CD1 3.95Å; V298-F334 HydrophobicContact CG1-CD2 3.57Å; V298-F334 HydrophobicContact CG1-CE2 4.27Å; V298-F334 HydrophobicContact CG1-CG 3.39Å; L300-F334 CarbonylContact C-O 3.49Å; L300-F334 VanDerWaalsContact CA-O 3.22Å; L300-F334 WeakPolarHBondContact CA-O 3.39Å; L300-F334 HydrophobicContact CD2-CB 4.05Å; W301-F334 PolarHBondContact N-O 3.18Å; Y312-F334 AromaticContact CD2-CD2 3.59Å; Y312-F334 HydrophobicContact CD2-CD2 3.59Å; Y312-F334 AromaticContact CD2-CE2 3.62Å; Y312-F334 HydrophobicContact CD2-CE2 3.62Å; Y312-F334 AromaticContact CE2-CD2 3.76Å; Y312-F334 HydrophobicContact CE2-CD2 3.76Å; Y312-F334 HydrophobicContact CE2-CE2 4.1Å; Y312-F334 HydrophobicContact CG-CE2 4.16Å; V332-F334 HydrophobicContact CG1-CE2 4.01Å; V332-F334 HydrophobicContact CG1-CZ 4.34Å; V332-F334 HydrophobicContact CG2-CE2 4.39Å; V332-F334 HydrophobicContact CG2-CZ 4.36Å
335	R	97.6	Very high	97.2	Very high	16 Å²	16	48 Å²	48	6%	0.06	25%	0.253	C	S	.	.			trans	-158.1	157.7	168.5	64.3	133	-174.8	82.8	1.5	111.4	W301 V337 N357 P458 I460	W301-R335 HydrophobicContact CB-CB 4.38Å; W301-R335 HydrophobicContact CE3-CB 4.45Å; W301-R335 HydrophobicContact CE3-CG 4.1Å; R335-V337 VanDerWaalsContact NH1-CB 3.27Å; R335-N357 WeakPolarHBondContact CA-OD1 3.4Å; R335-N357 VanDerWaalsContact CB-OD1 3.29Å; R335-N357 WeakPolarHBondContact CB-OD1 3.39Å; R335-P458 HydrophobicContact CG-CB 4.1Å; R335-P458 PolarHBondContact NE-O 2.95Å; R335-P458 PolarHBondContact NH2-O 3.36Å; R335-I460 PolarHBondContact NH2-O 3.05Å
336	T	97.6	Very high	97.3	Very high	34 Å²	34	50.9 Å²	50.9	21%	0.209	29%	0.285	C	S	.	.			trans	-104.1	151.2	168	65.7	0	0	0	0	110.3	Y235 W244 I356 N357	Y235-T336 HydrophobicContact CD1-CG2 4.47Å; Y235-T336 HydrophobicContact CG-CG2 4.32Å; W244-T336 HydrophobicContact CH2-CG2 3.73Å; W244-T336 HydrophobicContact CZ2-CG2 4.28Å; T336-I356 WeakPolarHBondContact O-CA 3.43Å; T336-N357 PolarHBondContact N-OD1 3.36Å; T336-N357 PolarHBondContact O-N 3.42Å; T336-N357 VanDerWaalsContact O-N 3.14Å; T336-N357 VanDerWaalsContact OG1-CA 3.26Å; T336-N357 WeakPolarHBondContact OG1-CA 3.42Å; T336-N357 PolarHBondContact OG1-N 2.89Å
337	V	98.2	Very high	97.5	Very high	13 Å²	13	50.4 Å²	50.4	8%	0.079	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	137.6	169.9	60.9	0	0	0	0	109.2	R335 F354 R355 I356 I461 R511	R335-V337 VanDerWaalsContact NH1-CB 3.27Å; V337-F354 HydrophobicContact CG2-CD1 3.93Å; V337-R355 WeakPolarHBondContact CA-O 3.35Å; V337-I356 HydrophobicContact CB-CD1 4.07Å; V337-I356 HydrophobicContact CG2-CD1 3.77Å; V337-I461 HydrophobicContact CG2-CB 3.93Å; V337-I461 HydrophobicContact CG2-CG2 4.22Å; V337-I461 WeakPolarHBondContact CG2-O 3.2Å; V337-R511 HydrophobicContact CG1-CG 4.03Å
338	E	98.2	Very high	97.6	Very high	88 Å²	88	50.4 Å²	50.4	41%	0.411	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	131.3	176.4	-56.4	168.9	105.5	0	0	108.3	I340 F354 R355	E338-I340 HydrophobicContact CB-CD1 3.84Å; E338-F354 CarbonylContact O-C 3.53Å; E338-F354 VanDerWaalsContact O-CA 3.31Å; E338-F354 WeakPolarHBondContact O-CA 3.39Å; E338-R355 HydrophobicContact CB-CB 4.32Å; E338-R355 PolarHBondContact N-O 2.94Å; E338-R355 PolarHBondContact O-N 3.13Å
339	L	98.7	Very high	97.7	Very high	28 Å²	28	46.3 Å²	46.3	15%	0.147	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	117	164.1	174.5	65.3	0	0	0	107.8	Q341 F352 F354 I462 P512 L514	L339-Q341 HydrophobicContact CD2-CG 4.49Å; L339-Q341 HydrophobicContact CG-CG 4.21Å; L339-F352 HydrophobicContact CD1-CD1 4.1Å; L339-F352 HydrophobicContact CD1-CD2 3.94Å; L339-F352 HydrophobicContact CD1-CE1 4.04Å; L339-F352 HydrophobicContact CD1-CE2 3.89Å; L339-F352 HydrophobicContact CD1-CG 4.1Å; L339-F352 HydrophobicContact CD1-CZ 3.96Å; L339-F352 HydrophobicContact CD2-CD2 4.36Å; L339-F352 HydrophobicContact CD2-CE2 3.81Å; L339-F352 HydrophobicContact CD2-CZ 4.23Å; L339-F352 HydrophobicContact CG-CE2 4.4Å; L339-F354 HydrophobicContact CB-CE1 4.32Å; L339-F354 HydrophobicContact CD1-CE1 4.29Å; L339-F354 HydrophobicContact CD1-CE2 4.24Å; L339-F354 HydrophobicContact CD1-CZ 4.09Å; L339-I462 HydrophobicContact CD2-CD1 4.03Å; L339-P512 HydrophobicContact CB-CB 3.73Å; L339-P512 HydrophobicContact CB-CG 3.81Å; L339-P512 HydrophobicContact CD2-CB 4.26Å; L339-L514 HydrophobicContact CD2-CD2 3.8Å
340	I	98.8	Very high	97.8	Very high	24 Å²	24	43.1 Å²	43.1	12%	0.123	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	125.8	-178.5	-52.3	-56.9	0	0	0	109.5	E338 E342 S351 F352 Y353 R355	E338-I340 HydrophobicContact CB-CD1 3.84Å; I340-E342 HydrophobicContact CG2-CB 4.27Å; I340-E342 HydrophobicContact CG2-CG 3.85Å; I340-E342 WeakPolarHBondContact CG2-OE1 3.4Å; I340-S351 CarbonylContact O-C 3.6Å; I340-S351 PolarHBondContact O-OG 3.36Å; I340-F352 WeakPolarHBondContact O-CA 3.48Å; I340-Y353 HydrophobicContact CB-CD1 3.91Å; I340-Y353 HydrophobicContact CB-CD2 4.26Å; I340-Y353 HydrophobicContact CB-CE1 3.54Å; I340-Y353 HydrophobicContact CB-CE2 3.91Å; I340-Y353 HydrophobicContact CB-CG 4.26Å; I340-Y353 HydrophobicContact CG1-CD2 4.28Å; I340-Y353 HydrophobicContact CG1-CE1 4.3Å; I340-Y353 HydrophobicContact CG1-CE2 3.76Å; I340-Y353 HydrophobicContact CG2-CD1 4.24Å; I340-Y353 HydrophobicContact CG2-CE1 3.44Å; I340-Y353 VanDerWaalsContact CG2-CE1 3.44Å; I340-Y353 HydrophobicContact CG2-CE2 4.36Å; I340-Y353 VanDerWaalsContact CG2-CZ 3.5Å; I340-Y353 WeakPolarHBondContact CG2-OH 3.32Å; I340-Y353 PolarHBondContact N-O 3.23Å; I340-Y353 PolarHBondContact O-N 3.39Å; I340-R355 HydrophobicContact CD1-CG 4.37Å; I340-R355 HydrophobicContact CG1-CG 3.82Å
341	Q	98.6	Very high	97.9	Very high	56 Å²	56	41.6 Å²	41.6	26%	0.262	25%	0.252	S	S	.	.			trans	-133.8	80.6	177.3	-63.4	177.9	84.8	0	0	109.6	L339 L350 S351 F352	L339-Q341 HydrophobicContact CD2-CG 4.49Å; L339-Q341 HydrophobicContact CG-CG 4.21Å; Q341-L350 HydrophobicContact CB-CB 4.33Å; Q341-L350 HydrophobicContact CB-CD1 4.37Å; Q341-S351 VanDerWaalsContact CA-O 3.27Å; Q341-S351 WeakPolarHBondContact CA-O 3.42Å; Q341-F352 HydrophobicContact CG-CD2 4.2Å
342	E	98.4	Very high	98.1	Very high	80 Å²	80	37.3 Å²	37.3	37%	0.374	24%	0.236	S	C	.	.			trans	-121.9	151.3	-174	69.3	-166.1	156.7	0	0	111.3	I340 S351 Y353 R355	I340-E342 HydrophobicContact CG2-CB 4.27Å; I340-E342 HydrophobicContact CG2-CG 3.85Å; I340-E342 WeakPolarHBondContact CG2-OE1 3.4Å; E342-S351 WeakPolarHBondContact CG-OG 3.41Å; E342-S351 PolarHBondContact N-OG 3.22Å; E342-S351 PolarHBondContact O-N 3.34Å; E342-S351 PolarHBondContact O-OG 3.38Å; E342-Y353 PolarHBondContact OE1-OH 3.11Å; E342-R355 IonicContact OE1-NH2 2.83Å
343	P	98.4	Very high	98.2	Very high	106 Å²	106	37.7 Å²	37.7	69%	0.688	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-57.4	142.7	175.5	-24.4	34.3	0	0	0	112.2	L350	P343-L350 HydrophobicContact CG-CD2 3.97Å
344	I	98	Very high	98.2	Very high	27 Å²	27	37.1 Å²	37.1	14%	0.138	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	131.3	178	-60.3	160.1	0	0	0	109.4	G346 S347 I655 H661	I344-G346 PolarHBondContact O-N 2.61Å; I344-S347 PolarHBondContact O-N 2.94Å; I344-S347 VanDerWaalsContact O-N 3.13Å; I344-I655 HydrophobicContact CG2-CD1 3.9Å; I344-I655 HydrophobicContact CG2-CG1 4.03Å; I344-H661 HydrophobicContact CD1-CB 3.81Å; I344-H661 VanDerWaalsContact CD1-ND1 3.33Å; I344-H661 WeakPolarHBondContact CD1-ND1 3.43Å
345	A	97.1	Very high	98.2	Very high	97 Å²	97	40.6 Å²	40.6	80%	0.802	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	129.5	177.8	0	0	0	0	0	111.2	S347	A345-S347 VanDerWaalsContact C-N 3.27Å; A345-S347 PolarHBondContact O-N 2.77Å
346	G	96.4	Very high	98.3	Very high	69 Å²	69	39.8 Å²	39.8	71%	0.711	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.4	6.2	180	0	0	0	0	0	115.2	I344 I655 G658	I344-G346 PolarHBondContact O-N 2.61Å; G346-I655 WeakPolarHBondContact O-CG2 3.28Å; G346-G658 WeakPolarHBondContact O-CA 3.13Å
347	S	98.2	Very high	98.2	Very high	9 Å²	9	39.6 Å²	39.6	6%	0.063	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	119.9	-177.3	-175.9	0	0	0	0	110.2	I344 A345 R561 G658	I344-S347 PolarHBondContact O-N 2.94Å; I344-S347 VanDerWaalsContact O-N 3.13Å; A345-S347 VanDerWaalsContact C-N 3.27Å; A345-S347 PolarHBondContact O-N 2.77Å; S347-R561 VanDerWaalsContact OG-CZ 3.28Å; S347-R561 PolarHBondContact OG-NH1 3.47Å; S347-R561 PolarHBondContact OG-NH2 2.99Å; S347-G658 WeakPolarHBondContact CA-O 3.17Å; S347-G658 WeakPolarHBondContact CB-O 3.27Å; S347-G658 PolarHBondContact OG-O 2.86Å
348	P	97.8	Very high	98.1	Very high	78 Å²	78	41.1 Å²	41.1	51%	0.506	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	163.2	175.4	27.6	-33	0	0	0	111.3	H538 R561 G658	P348-H538 WeakPolarHBondContact O-CB 3.32Å; P348-R561 PolarHBondContact O-NH2 2.95Å; P348-G658 WeakPolarHBondContact CD-O 3.29Å
349	G	98.3	Very high	98	Very high	16 Å²	16	39.7 Å²	39.7	17%	0.165	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	81.3	-154.5	-177.6	0	0	0	0	0	114.1	Y539	G349-Y539 VanDerWaalsContact CA-CE1 3.45Å
350	L	98.8	Very high	98	Very high	28 Å²	28	41.2 Å²	41.2	15%	0.147	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	151.1	-174	-61.5	175.2	0	0	0	110.5	Q341 P343 A522 H538 Y539 R561	Q341-L350 HydrophobicContact CB-CB 4.33Å; Q341-L350 HydrophobicContact CB-CD1 4.37Å; P343-L350 HydrophobicContact CG-CD2 3.97Å; L350-A522 HydrophobicContact CD1-CB 4.15Å; L350-H538 PolarHBondContact N-O 2.97Å; L350-Y539 HydrophobicContact CB-CD1 4.1Å; L350-Y539 HydrophobicContact CB-CE1 4.48Å; L350-Y539 HydrophobicContact CD1-CD1 4.42Å; L350-Y539 HydrophobicContact CD1-CE1 4.45Å; L350-Y539 HydrophobicContact CG-CD1 4.14Å; L350-Y539 HydrophobicContact CG-CE1 4.08Å; L350-R561 WeakPolarHBondContact O-CG 3.47Å; L350-R561 PolarHBondContact O-NE 3.4Å; L350-R561 VanDerWaalsContact O-NE 3.08Å
351	S	98.8	Very high	98	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	26%	0.259	C	S	.	.			trans	-63.6	166.9	168.1	68.8	0	0	0	0	111.3	I340 Q341 E342	I340-S351 CarbonylContact O-C 3.6Å; I340-S351 PolarHBondContact O-OG 3.36Å; Q341-S351 VanDerWaalsContact CA-O 3.27Å; Q341-S351 WeakPolarHBondContact CA-O 3.42Å; E342-S351 WeakPolarHBondContact CG-OG 3.41Å; E342-S351 PolarHBondContact N-OG 3.22Å; E342-S351 PolarHBondContact O-N 3.34Å; E342-S351 PolarHBondContact O-OG 3.38Å
352	F	98.9	Very high	98	Very high	1 Å²	1	37.8 Å²	37.8	0%	0.004	25%	0.247	C	C	.	.			trans	-150.3	98.4	170.2	-170.6	-85.8	0	0	0	108.6	L339 I340 Q341 F354 W423 L514 G540 D541 R561 F562	L339-F352 HydrophobicContact CD1-CD1 4.1Å; L339-F352 HydrophobicContact CD1-CD2 3.94Å; L339-F352 HydrophobicContact CD1-CE1 4.04Å; L339-F352 HydrophobicContact CD1-CE2 3.89Å; L339-F352 HydrophobicContact CD1-CG 4.1Å; L339-F352 HydrophobicContact CD1-CZ 3.96Å; L339-F352 HydrophobicContact CD2-CD2 4.36Å; L339-F352 HydrophobicContact CD2-CE2 3.81Å; L339-F352 HydrophobicContact CD2-CZ 4.23Å; L339-F352 HydrophobicContact CG-CE2 4.4Å; I340-F352 WeakPolarHBondContact O-CA 3.48Å; Q341-F352 HydrophobicContact CG-CD2 4.2Å; F352-F354 HydrophobicContact CE1-CE2 4.47Å; F352-W423 HydrophobicContact CE1-CH2 4.13Å; F352-W423 HydrophobicContact CE1-CZ3 4.14Å; F352-W423 HydrophobicContact CZ-CH2 4.03Å; F352-W423 HydrophobicContact CZ-CZ3 4.42Å; F352-L514 HydrophobicContact CE2-CD1 4.25Å; F352-L514 HydrophobicContact CE2-CD2 4Å; F352-L514 HydrophobicContact CZ-CD1 3.73Å; F352-L514 HydrophobicContact CZ-CD2 4.31Å; F352-G540 WeakPolarHBondContact CB-O 3.25Å; F352-G540 VanDerWaalsContact CD2-CA 3.41Å; F352-G540 VanDerWaalsContact CG-O 3.28Å; F352-G540 WeakPolarHBondContact CG-O 3.35Å; F352-D541 HydrophobicContact CE1-CB 4.07Å; F352-D541 HydrophobicContact CZ-CB 4.27Å; F352-R561 HydrophobicContact CB-CB 3.72Å; F352-R561 HydrophobicContact CB-CG 4.44Å; F352-F562 HydrophobicContact CD1-CB 3.56Å; F352-F562 AromaticContact CD1-CD2 3.94Å; F352-F562 HydrophobicContact CD1-CD2 3.94Å; F352-F562 AromaticContact CD1-CG 3.89Å; F352-F562 HydrophobicContact CD1-CG 3.89Å; F352-F562 HydrophobicContact CE1-CB 4.08Å; F352-F562 HydrophobicContact CE1-CD2 4.17Å; F352-F562 HydrophobicContact CE1-CG 4.04Å; F352-F562 HydrophobicContact CG-CB 4.47Å
353	Y	98.9	Very high	98	Very high	9 Å²	9	34 Å²	34	4%	0.035	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	162.4	-178.7	71.7	-88.5	0	0	0	112.7	I340 E342 R355 P360 M663	I340-Y353 HydrophobicContact CB-CD1 3.91Å; I340-Y353 HydrophobicContact CB-CD2 4.26Å; I340-Y353 HydrophobicContact CB-CE1 3.54Å; I340-Y353 HydrophobicContact CB-CE2 3.91Å; I340-Y353 HydrophobicContact CB-CG 4.26Å; I340-Y353 HydrophobicContact CG1-CD2 4.28Å; I340-Y353 HydrophobicContact CG1-CE1 4.3Å; I340-Y353 HydrophobicContact CG1-CE2 3.76Å; I340-Y353 HydrophobicContact CG2-CD1 4.24Å; I340-Y353 HydrophobicContact CG2-CE1 3.44Å; I340-Y353 VanDerWaalsContact CG2-CE1 3.44Å; I340-Y353 HydrophobicContact CG2-CE2 4.36Å; I340-Y353 VanDerWaalsContact CG2-CZ 3.5Å; I340-Y353 WeakPolarHBondContact CG2-OH 3.32Å; I340-Y353 PolarHBondContact N-O 3.23Å; I340-Y353 PolarHBondContact O-N 3.39Å; E342-Y353 PolarHBondContact OE1-OH 3.11Å; Y353-R355 HydrophobicContact CD2-CG 4.32Å; Y353-R355 HydrophobicContact CE2-CG 3.74Å; Y353-R355 PolarHBondContact OH-NE 2.86Å; Y353-R355 PolarHBondContact OH-NH2 3.02Å; Y353-P360 HydrophobicContact CD2-CB 4.01Å; Y353-P360 HydrophobicContact CE2-CB 3.84Å; Y353-P360 HydrophobicContact CE2-CG 3.96Å; Y353-M663 HydrophobicContact CD2-CE 4.34Å; Y353-M663 HydrophobicContact CG-CB 4.44Å; Y353-M663 HydrophobicContact CG-CE 4.47Å; Y353-M663 HydrophobicContact CG-CG 4.27Å
354	F	98.8	Very high	98	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	135.8	-179.9	-68.4	-90.4	0	0	0	111.8	V337 E338 L339 F352 P360 V361 L363 W423 I461 I462 P512 F562	V337-F354 HydrophobicContact CG2-CD1 3.93Å; E338-F354 CarbonylContact O-C 3.53Å; E338-F354 VanDerWaalsContact O-CA 3.31Å; E338-F354 WeakPolarHBondContact O-CA 3.39Å; L339-F354 HydrophobicContact CB-CE1 4.32Å; L339-F354 HydrophobicContact CD1-CE1 4.29Å; L339-F354 HydrophobicContact CD1-CE2 4.24Å; L339-F354 HydrophobicContact CD1-CZ 4.09Å; F352-F354 HydrophobicContact CE1-CE2 4.47Å; F354-P360 WeakPolarHBondContact O-CA 3.24Å; F354-V361 PolarHBondContact O-N 2.73Å; F354-L363 HydrophobicContact CB-CD1 4.02Å; F354-L363 HydrophobicContact CD2-CD1 3.75Å; F354-L363 HydrophobicContact CD2-CD2 3.72Å; F354-L363 HydrophobicContact CD2-CG 4.41Å; F354-L363 HydrophobicContact CE2-CD2 3.84Å; F354-L363 HydrophobicContact CG-CD1 4.2Å; F354-W423 HydrophobicContact CE2-CZ3 4.49Å; F354-I461 HydrophobicContact CD1-CD1 4.12Å; F354-I461 HydrophobicContact CD2-CD1 4.38Å; F354-I461 HydrophobicContact CE1-CD1 4.08Å; F354-I461 HydrophobicContact CE1-CG1 4.44Å; F354-I461 HydrophobicContact CE2-CD1 4.35Å; F354-I461 HydrophobicContact CG-CD1 4.25Å; F354-I461 HydrophobicContact CZ-CD1 4.19Å; F354-I462 HydrophobicContact CE1-CB 3.99Å; F354-I462 HydrophobicContact CE1-CD1 3.86Å; F354-I462 HydrophobicContact CE1-CG2 4.43Å; F354-I462 HydrophobicContact CZ-CB 4.03Å; F354-I462 HydrophobicContact CZ-CD1 3.57Å; F354-I462 HydrophobicContact CZ-CG1 4.45Å; F354-I462 HydrophobicContact CZ-CG2 4.05Å; F354-P512 HydrophobicContact CE1-CG 4.22Å; F354-F562 HydrophobicContact CD2-CE2 4.42Å; F354-F562 HydrophobicContact CE2-CE2 4.28Å
355	R	98.5	Very high	98.1	Very high	73 Å²	73	28.4 Å²	28.4	28%	0.275	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	127.5	160.1	-66.2	-176.7	-176.7	168.6	2.8	109.6	V337 E338 I340 E342 Y353 R359 P360	V337-R355 WeakPolarHBondContact CA-O 3.35Å; E338-R355 HydrophobicContact CB-CB 4.32Å; E338-R355 PolarHBondContact N-O 2.94Å; E338-R355 PolarHBondContact O-N 3.13Å; I340-R355 HydrophobicContact CD1-CG 4.37Å; I340-R355 HydrophobicContact CG1-CG 3.82Å; E342-R355 IonicContact OE1-NH2 2.83Å; Y353-R355 HydrophobicContact CD2-CG 4.32Å; Y353-R355 HydrophobicContact CE2-CG 3.74Å; Y353-R355 PolarHBondContact OH-NE 2.86Å; Y353-R355 PolarHBondContact OH-NH2 3.02Å; R355-R359 CarbonylContact C-O 3.56Å; R355-R359 VanDerWaalsContact CA-O 3.23Å; R355-R359 WeakPolarHBondContact CA-O 3.5Å; R355-P360 HydrophobicContact CG-CG 4.3Å
356	I	98.5	Very high	98.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	122.2	172	-52.1	-61.6	0	0	0	107.3	W302 P303 T336 V337 G358 R359 V361 M421 I461	W302-I356 WeakPolarHBondContact CZ3-O 3.47Å; P303-I356 HydrophobicContact CG-CG1 4.24Å; P303-I356 HydrophobicContact CG-CG2 4.22Å; T336-I356 WeakPolarHBondContact O-CA 3.43Å; V337-I356 HydrophobicContact CB-CD1 4.07Å; V337-I356 HydrophobicContact CG2-CD1 3.77Å; I356-G358 PolarHBondContact O-N 3.32Å; I356-R359 PolarHBondContact N-O 2.86Å; I356-R359 PolarHBondContact O-N 3.29Å; I356-V361 HydrophobicContact CB-CG2 4.11Å; I356-V361 HydrophobicContact CG1-CB 4.45Å; I356-V361 HydrophobicContact CG1-CG2 3.94Å; I356-M421 HydrophobicContact CD1-SD 3.99Å; I356-M421 HydrophobicContact CG1-SD 3.9Å; I356-I461 HydrophobicContact CD1-CG2 3.95Å
357	N	96.9	Very high	98.3	Very high	30 Å²	30	20.5 Å²	20.5	16%	0.16	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	37.6	-175.2	-54	-39	0	0	0	112.4	L300 W301 W302 R335 T336 R359	L300-N357 HydrophobicContact CD1-CB 3.88Å; W301-N357 PolarHBondContact O-ND2 3Å; W302-N357 VanDerWaalsContact CE2-ND2 3.32Å; W302-N357 HydrophobicContact CH2-CB 3.51Å; W302-N357 HydrophobicContact CZ2-CB 3.63Å; W302-N357 HydrophobicContact CZ3-CB 4.05Å; R335-N357 WeakPolarHBondContact CA-OD1 3.4Å; R335-N357 VanDerWaalsContact CB-OD1 3.29Å; R335-N357 WeakPolarHBondContact CB-OD1 3.39Å; T336-N357 PolarHBondContact N-OD1 3.36Å; T336-N357 PolarHBondContact O-N 3.42Å; T336-N357 VanDerWaalsContact O-N 3.14Å; T336-N357 VanDerWaalsContact OG1-CA 3.26Å; T336-N357 WeakPolarHBondContact OG1-CA 3.42Å; T336-N357 PolarHBondContact OG1-N 2.89Å; N357-R359 VanDerWaalsContact C-N 3.29Å; N357-R359 PolarHBondContact O-N 2.84Å
358	G	95.5	Very high	98.3	Very high	44 Å²	44	20.2 Å²	20.2	45%	0.454	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	80	-3.4	-178.9	0	0	0	0	0	115.7	I356	I356-G358 PolarHBondContact O-N 3.32Å
359	R	96.1	Very high	98.4	Very high	58 Å²	58	16.5 Å²	16.5	22%	0.219	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	128	179.9	-175.9	175.3	174.2	-150.4	-10	111.5	W302 R355 I356 N357 V361 D721 L722 S723	W302-R359 HydrophobicContact CH2-CB 4.3Å; W302-R359 HydrophobicContact CZ3-CB 4.22Å; R355-R359 CarbonylContact C-O 3.56Å; R355-R359 VanDerWaalsContact CA-O 3.23Å; R355-R359 WeakPolarHBondContact CA-O 3.5Å; I356-R359 PolarHBondContact N-O 2.86Å; I356-R359 PolarHBondContact O-N 3.29Å; N357-R359 VanDerWaalsContact C-N 3.29Å; N357-R359 PolarHBondContact O-N 2.84Å; R359-V361 PolarHBondContact O-N 3.38Å; R359-D721 PolarHBondContact NH2-O 2.87Å; R359-L722 PolarHBondContact NH2-O 3.42Å; R359-S723 VanDerWaalsContact NH2-CA 3.26Å; R359-S723 VanDerWaalsContact NH2-N 3.19Å
360	P	98	Very high	98.4	Very high	61 Å²	61	15.8 Å²	15.8	40%	0.396	9%	0.087	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	131.7	170.1	-21.8	32.1	0	0	0	111.5	Y353 F354 R355 M663	Y353-P360 HydrophobicContact CD2-CB 4.01Å; Y353-P360 HydrophobicContact CE2-CB 3.84Å; Y353-P360 HydrophobicContact CE2-CG 3.96Å; F354-P360 WeakPolarHBondContact O-CA 3.24Å; R355-P360 HydrophobicContact CG-CG 4.3Å; P360-M663 HydrophobicContact CB-CE 4.03Å
361	V	98.3	Very high	98.4	Very high	5 Å²	5	15 Å²	15	3%	0.03	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	127.9	178.6	178	0	0	0	0	109.2	L306 F354 I356 R359 L363 M421	L306-V361 HydrophobicContact CD1-CB 4.31Å; L306-V361 HydrophobicContact CD1-CG1 3.65Å; L306-V361 HydrophobicContact CD1-CG2 3.65Å; F354-V361 PolarHBondContact O-N 2.73Å; I356-V361 HydrophobicContact CB-CG2 4.11Å; I356-V361 HydrophobicContact CG1-CB 4.45Å; I356-V361 HydrophobicContact CG1-CG2 3.94Å; R359-V361 PolarHBondContact O-N 3.38Å; V361-L363 HydrophobicContact CG1-CD1 4.39Å; V361-L363 WeakPolarHBondContact O-CD1 3.48Å; V361-M421 HydrophobicContact CG1-CE 3.94Å
362	F	98.9	Very high	98.4	Very high	3 Å²	3	16.4 Å²	16.4	1%	0.013	9%	0.091	C	C	.	.			trans	-78.2	122.1	167.5	-171.8	-71.7	0	0	0	108.7	K364 N396 R649 R652 T662 M663 A665	F362-K364 HydrophobicContact CD1-CG 3.69Å; F362-K364 HydrophobicContact CE1-CG 4.12Å; F362-K364 PolarHBondContact O-N 3.02Å; F362-N396 PolarHBondContact O-ND2 2.84Å; F362-R649 HydrophobicContact CE1-CG 4.11Å; F362-R649 HydrophobicContact CZ-CG 3.98Å; F362-R652 HydrophobicContact CD2-CB 4.01Å; F362-R652 HydrophobicContact CE2-CB 4.11Å; F362-T662 WeakPolarHBondContact CD2-O 3.38Å; F362-T662 WeakPolarHBondContact CE2-O 3.37Å; F362-M663 WeakPolarHBondContact CA-O 3.12Å; F362-M663 HydrophobicContact CD2-SD 4.36Å; F362-A665 HydrophobicContact CE1-CB 3.93Å; F362-A665 HydrophobicContact CZ-CB 3.97Å
363	L	98.9	Very high	98.4	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	122	179.2	-86.9	62.7	0	0	0	109.9	F354 V361 A397 M421 I461 F562 M663 G664 A665 L666	F354-L363 HydrophobicContact CB-CD1 4.02Å; F354-L363 HydrophobicContact CD2-CD1 3.75Å; F354-L363 HydrophobicContact CD2-CD2 3.72Å; F354-L363 HydrophobicContact CD2-CG 4.41Å; F354-L363 HydrophobicContact CE2-CD2 3.84Å; F354-L363 HydrophobicContact CG-CD1 4.2Å; V361-L363 HydrophobicContact CG1-CD1 4.39Å; V361-L363 WeakPolarHBondContact O-CD1 3.48Å; L363-A397 HydrophobicContact CB-CB 4.23Å; L363-A397 HydrophobicContact CD2-CB 4.19Å; L363-A397 HydrophobicContact CG-CB 3.98Å; L363-M421 HydrophobicContact CD1-CE 4Å; L363-M421 HydrophobicContact CG-CE 3.98Å; L363-I461 HydrophobicContact CD2-CD1 3.66Å; L363-I461 HydrophobicContact CG-CD1 4.49Å; L363-F562 HydrophobicContact CB-CE2 3.8Å; L363-F562 HydrophobicContact CB-CZ 3.75Å; L363-F562 HydrophobicContact CD2-CE2 3.75Å; L363-F562 HydrophobicContact CD2-CZ 3.62Å; L363-F562 HydrophobicContact CG-CE2 4.22Å; L363-F562 HydrophobicContact CG-CZ 4.29Å; L363-M663 PolarHBondContact N-O 3.05Å; L363-M663 VanDerWaalsContact N-O 3.12Å; L363-G664 CarbonylContact O-C 3.49Å; L363-G664 VanDerWaalsContact O-CA 3.26Å; L363-G664 WeakPolarHBondContact O-CA 3.34Å; L363-A665 PolarHBondContact O-N 3.41Å; L363-L666 HydrophobicContact CB-CD2 4.33Å
364	K	98.9	Very high	98.4	Very high	15 Å²	15	16.6 Å²	16.6	7%	0.065	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	119.4	-179.9	-62	-177.3	-58.6	-176.3	0	108.3	F362 N394 M395 N396 A397 F699 D721	F362-K364 HydrophobicContact CD1-CG 3.69Å; F362-K364 HydrophobicContact CE1-CG 4.12Å; F362-K364 PolarHBondContact O-N 3.02Å; K364-N394 WeakPolarHBondContact CE-O 3.4Å; K364-M395 CarbonylContact O-C 3.5Å; K364-M395 VanDerWaalsContact O-CA 3.29Å; K364-M395 WeakPolarHBondContact O-CA 3.43Å; K364-M395 WeakPolarHBondContact O-CB 3.25Å; K364-N396 PolarHBondContact N-OD1 3.09Å; K364-N396 PolarHBondContact O-N 2.78Å; K364-N396 PolarHBondContact O-OD1 3.48Å; K364-A397 PolarHBondContact O-N 3.15Å; K364-F699 HydrophobicContact CB-CB 4.39Å; K364-F699 HydrophobicContact CB-CD1 3.61Å; K364-F699 HydrophobicContact CB-CD2 4.31Å; K364-F699 HydrophobicContact CB-CE1 3.81Å; K364-F699 HydrophobicContact CB-CE2 4.46Å; K364-F699 HydrophobicContact CB-CG 3.89Å; K364-F699 HydrophobicContact CB-CZ 4.23Å; K364-F699 HydrophobicContact CD-CB 4.03Å; K364-F699 HydrophobicContact CD-CD1 3.86Å; K364-F699 HydrophobicContact CD-CG 4.22Å; K364-F699 HydrophobicContact CG-CD1 3.76Å; K364-F699 HydrophobicContact CG-CE1 4.12Å; K364-F699 HydrophobicContact CG-CG 4.36Å; K364-F699 PolarHBondContact NZ-O 2.94Å; K364-D721 WeakPolarHBondContact CD-OD2 3.27Å; K364-D721 WeakPolarHBondContact CE-OD2 3.44Å; K364-D721 IonicContact NZ-OD2 3.74Å; K364-D721 PolarHBondContact NZ-OD2 2.94Å
365	G	98.9	Very high	98.3	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	170.5	-145.6	178.7	0	0	0	0	0	115	A397 A665 L666 Y667	G365-A397 VanDerWaalsContact CA-O 3.32Å; G365-A397 WeakPolarHBondContact CA-O 3.48Å; G365-A665 PolarHBondContact N-O 3.14Å; G365-L666 WeakPolarHBondContact O-CA 3.4Å; G365-Y667 WeakPolarHBondContact O-CD1 3.49Å; G365-Y667 PolarHBondContact O-N 2.98Å
366	S	98.9	Very high	98.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	176.8	-173.9	52.8	0	0	0	0	111.9	L398 R399 Y667 L670	S366-L398 WeakPolarHBondContact O-CA 3.08Å; S366-R399 PolarHBondContact O-N 2.79Å; S366-Y667 CarbonylContact C-O 3.45Å; S366-Y667 WeakPolarHBondContact CA-O 3.44Å; S366-Y667 VanDerWaalsContact CB-O 3.22Å; S366-Y667 WeakPolarHBondContact CB-O 3.44Å; S366-L670 VanDerWaalsContact OG-CB 3.31Å; S366-L670 WeakPolarHBondContact OG-CB 3.49Å; S366-L670 VanDerWaalsContact OG-CD1 3.31Å; S366-L670 WeakPolarHBondContact OG-CD1 3.42Å
367	N	98.9	Very high	98.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	127.8	-179.9	-67.8	-93.7	0	0	0	111	R399 S564 L666 Y667 W668 L670	N367-R399 CarbonylContact C-O 3.59Å; N367-R399 WeakPolarHBondContact OD1-CB 3.42Å; N367-R399 VanDerWaalsContact OD1-CD 3.26Å; N367-R399 WeakPolarHBondContact OD1-CD 3.26Å; N367-R399 WeakPolarHBondContact OD1-CG 3.21Å; N367-R399 PolarHBondContact OD1-NH1 3.18Å; N367-S564 PolarHBondContact ND2-O 3.36Å; N367-L666 PolarHBondContact ND2-O 3.14Å; N367-Y667 PolarHBondContact N-O 3.36Å; N367-Y667 PolarHBondContact ND2-O 2.88Å; N367-Y667 VanDerWaalsContact ND2-O 3.09Å; N367-W668 HydrophobicContact CB-CD2 4.38Å; N367-W668 HydrophobicContact CB-CE3 3.3Å; N367-W668 HydrophobicContact CB-CZ3 3.5Å; N367-W668 VanDerWaalsContact CB-CZ3 3.5Å; N367-L670 WeakPolarHBondContact O-CB 3.27Å; N367-L670 PolarHBondContact O-N 3.05Å
368	W	98.9	Very high	98.3	Very high	3 Å²	3	18.8 Å²	18.8	1%	0.011	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	130	175.1	174.8	-86	0	0	0	110.5	A371 L383 L386 L387 L398 R399 W401 E407 F411 L670	W368-A371 HydrophobicContact CH2-CB 4.4Å; W368-A371 HydrophobicContact CZ2-CB 4.22Å; W368-L383 HydrophobicContact CH2-CD1 3.66Å; W368-L383 HydrophobicContact CZ2-CD1 3.8Å; W368-L386 HydrophobicContact CH2-CB 4.07Å; W368-L386 HydrophobicContact CH2-CD1 3.68Å; W368-L386 HydrophobicContact CZ3-CB 3.81Å; W368-L386 HydrophobicContact CZ3-CD1 4.07Å; W368-L387 HydrophobicContact CZ3-CD2 4.32Å; W368-L398 HydrophobicContact CE3-CD1 4.44Å; W368-R399 PolarHBondContact N-O 2.97Å; W368-W401 PolarHBondContact O-N 2.88Å; W368-E407 PolarHBondContact NE1-OE1 3.15Å; W368-F411 HydrophobicContact CD2-CD2 4.45Å; W368-F411 AromaticContact CD2-CE2 3.61Å; W368-F411 HydrophobicContact CD2-CE2 3.61Å; W368-F411 HydrophobicContact CD2-CZ 4.33Å; W368-F411 AromaticContact CE2-CE2 3.69Å; W368-F411 AromaticContact CE3-CE2 3.85Å; W368-F411 HydrophobicContact CE3-CE2 3.85Å; W368-F411 HydrophobicContact CG-CE2 4.03Å; W368-F411 HydrophobicContact CG-CZ 4.3Å; W368-F411 HydrophobicContact CH2-CD2 4.43Å; W368-F411 HydrophobicContact CH2-CE2 4.32Å; W368-F411 HydrophobicContact CZ2-CD2 4.11Å; W368-F411 HydrophobicContact CZ2-CE2 4.07Å; W368-F411 HydrophobicContact CZ3-CE2 4.21Å; W368-L670 HydrophobicContact CE3-CD2 3.67Å; W368-L670 HydrophobicContact CZ3-CD2 4.08Å
369	I	98.9	Very high	98.4	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.106	C	C	.	.			trans	-118.1	164.2	171.2	63.5	147.2	0	0	0	110	W203 A371 W401 W668 N671 I673	W203-I369 HydrophobicContact CD2-CD1 3.93Å; W203-I369 HydrophobicContact CE3-CD1 3.45Å; W203-I369 VanDerWaalsContact CE3-CD1 3.45Å; W203-I369 HydrophobicContact CH2-CB 3.94Å; W203-I369 HydrophobicContact CH2-CD1 3.68Å; W203-I369 HydrophobicContact CH2-CG1 4.46Å; W203-I369 HydrophobicContact CH2-CG2 4.13Å; W203-I369 HydrophobicContact CZ2-CB 4.13Å; W203-I369 HydrophobicContact CZ2-CD1 4.11Å; W203-I369 HydrophobicContact CZ2-CG2 3.79Å; W203-I369 HydrophobicContact CZ3-CB 4.44Å; W203-I369 HydrophobicContact CZ3-CD1 3.32Å; W203-I369 HydrophobicContact CZ3-CG1 4.49Å; I369-A371 PolarHBondContact O-N 3.16Å; I369-W401 HydrophobicContact CG2-CE3 4.36Å; I369-W668 HydrophobicContact CG2-CH2 3.94Å; I369-W668 HydrophobicContact CG2-CZ2 4.36Å; I369-N671 WeakPolarHBondContact CD1-O 3.31Å; I369-N671 VanDerWaalsContact CG1-O 3.3Å; I369-N671 WeakPolarHBondContact CG1-O 3.32Å; I369-N671 PolarHBondContact N-OD1 2.89Å; I369-N671 PolarHBondContact O-ND2 2.76Å; I369-N671 PolarHBondContact O-OD1 2.87Å; I369-I673 HydrophobicContact CD1-CB 4.17Å
370	P	98.9	Very high	98.5	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.013	12%	0.122	C	C	.	.			trans	-50.2	128.7	174.3	-29	37.2	0	0	0	112.4	E195 H372 G404 I673	E195-P370 HydrophobicContact CG-CG 4.42Å; P370-H372 PolarHBondContact O-N 3.33Å; P370-G404 VanDerWaalsContact CG-CA 3.47Å; P370-I673 HydrophobicContact CB-CD1 4.1Å; P370-I673 WeakPolarHBondContact O-CB 3.43Å; P370-I673 WeakPolarHBondContact O-CG1 3.3Å
371	A	98.6	Very high	98.4	Very high	11 Å²	11	21.8 Å²	21.8	9%	0.091	13%	0.131	C	C	.	.	S	Bend	trans	-75.8	-7.2	-176.5	0	0	0	0	0	113.9	W368 I369 V378 L386	W368-A371 HydrophobicContact CH2-CB 4.4Å; W368-A371 HydrophobicContact CZ2-CB 4.22Å; I369-A371 PolarHBondContact O-N 3.16Å; A371-V378 HydrophobicContact CB-CG1 4.23Å; A371-V378 HydrophobicContact CB-CG2 4.19Å; A371-L386 HydrophobicContact CB-CD1 3.86Å
372	H	98.8	Very high	98.3	Very high	29 Å²	29	23.6 Å²	23.6	13%	0.134	14%	0.144	C	C	.	.			trans	-161	151	176.9	-156.6	-63.4	0	0	0	109.9	Y72 P370 F374 V378 I673 F684	Y72-H372 AromaticContact CE2-CE1 3.93Å; Y72-H372 AromaticContact CZ-CE1 3.77Å; Y72-H372 PolarHBondContact OH-ND1 3.28Å; P370-H372 PolarHBondContact O-N 3.33Å; H372-F374 AromaticContact CE1-CD2 3.4Å; H372-F374 WeakPolarHBondContact CE1-CD2 3.19Å; H372-F374 AromaticContact ND1-CD2 3.64Å; H372-F374 AromaticContact ND1-CG 3.93Å; H372-F374 PolarHBondContact ND1-N 3.09Å; H372-F374 VanDerWaalsContact ND1-N 3.11Å; H372-F374 PolarHBondContact O-N 3.18Å; H372-F374 VanDerWaalsContact O-N 3.13Å; H372-V378 HydrophobicContact CB-CG2 3.75Å; H372-I673 VanDerWaalsContact C-CG1 3.4Å; H372-F684 AromaticContact CD2-CE2 3.68Å; H372-F684 AromaticContact CD2-CZ 3.63Å; H372-F684 AromaticContact NE2-CZ 3.73Å
373	S	98.8	Very high	98.3	Very high	12 Å²	12	23.4 Å²	23.4	8%	0.084	14%	0.144	C	C	.	.	S	Bend	trans	-66	-10.4	171.3	-55.2	0	0	0	0	113.3	Y72 P205	Y72-S373 VanDerWaalsContact OH-CB 3.26Å; Y72-S373 WeakPolarHBondContact OH-CB 3.04Å; Y72-S373 PolarHBondContact OH-N 3Å; Y72-S373 PolarHBondContact OH-OG 2.78Å; P205-S373 WeakPolarHBondContact CG-OG 3.46Å
374	F	98.6	Very high	98.2	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.009	16%	0.161	C	C	.	.	S	Bend	trans	-132.4	103.2	-175.8	-50.1	-49.3	0	0	0	107.5	C57 H59 P71 F207 T209 H372 D376 Q377	C57-F374 VanDerWaalsContact SG-CD1 3.59Å; H59-F374 HydrophobicContact CB-CD1 4.1Å; H59-F374 HydrophobicContact CB-CE1 3.42Å; H59-F374 VanDerWaalsContact CB-CE1 3.42Å; H59-F374 HydrophobicContact CB-CE2 4.07Å; H59-F374 HydrophobicContact CB-CZ 3.43Å; H59-F374 VanDerWaalsContact CB-CZ 3.43Å; H59-F374 AromaticContact CD2-CZ 3.95Å; H59-F374 AromaticContact CG-CE1 3.56Å; H59-F374 AromaticContact CG-CZ 3.71Å; H59-F374 AromaticContact ND1-CE1 3.92Å; P71-F374 HydrophobicContact CB-CE2 4.08Å; P71-F374 HydrophobicContact CB-CZ 4.06Å; P71-F374 HydrophobicContact CG-CE2 3.89Å; P71-F374 HydrophobicContact CG-CZ 4.08Å; F207-F374 HydrophobicContact CB-CE1 3.84Å; F207-F374 HydrophobicContact CB-CZ 4.1Å; F207-F374 HydrophobicContact CD1-CZ 4.32Å; F207-F374 HydrophobicContact CD2-CZ 4.27Å; F207-F374 HydrophobicContact CG-CE1 4.24Å; F207-F374 AromaticContact CG-CZ 3.98Å; F207-F374 HydrophobicContact CG-CZ 3.98Å; T209-F374 HydrophobicContact CG2-CD1 4.2Å; H372-F374 AromaticContact CE1-CD2 3.4Å; H372-F374 WeakPolarHBondContact CE1-CD2 3.19Å; H372-F374 AromaticContact ND1-CD2 3.64Å; H372-F374 AromaticContact ND1-CG 3.93Å; H372-F374 PolarHBondContact ND1-N 3.09Å; H372-F374 VanDerWaalsContact ND1-N 3.11Å; H372-F374 PolarHBondContact O-N 3.18Å; H372-F374 VanDerWaalsContact O-N 3.13Å; F374-D376 PolarHBondContact O-N 2.93Å; F374-D376 VanDerWaalsContact O-N 3.12Å; F374-Q377 HydrophobicContact CB-CG 3.95Å; F374-Q377 WeakPolarHBondContact O-CB 3.29Å; F374-Q377 PolarHBondContact O-N 2.68Å
375	Q	98.3	Very high	98.2	Very high	24 Å²	24	29.1 Å²	29.1	11%	0.112	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-60.1	-26.5	-172.4	-65.8	-64	-32.5	0	0	113.1	M132 W213 Q377 V378	M132-Q375 HydrophobicContact CE-CG 4.43Å; W213-Q375 HydrophobicContact CE3-CB 3.79Å; W213-Q375 HydrophobicContact CE3-CG 3.83Å; W213-Q375 HydrophobicContact CZ3-CB 4.33Å; W213-Q375 HydrophobicContact CZ3-CG 4.05Å; Q375-Q377 PolarHBondContact O-N 2.83Å; Q375-V378 PolarHBondContact O-N 3.37Å; Q375-V378 VanDerWaalsContact O-N 3.15Å
376	D	97	Very high	98.2	Very high	41 Å²	41	29.7 Å²	29.7	22%	0.219	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-66.9	-14.3	175.1	61.7	-67.5	0	0	0	114.1	C57 S60 F374	C57-D376 PolarHBondContact SG-OD1 3.46Å; C57-D376 VanDerWaalsContact SG-OD1 3.36Å; S60-D376 WeakPolarHBondContact CB-OD2 3.38Å; S60-D376 PolarHBondContact OG-OD2 2.54Å; F374-D376 PolarHBondContact O-N 2.93Å; F374-D376 VanDerWaalsContact O-N 3.12Å
377	Q	98	Very high	98.2	Very high	75 Å²	75	29.7 Å²	29.7	35%	0.35	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-92.2	-7.7	176.2	-56.3	-57.7	-54.9	0	0	112.9	F374 Q375 T379	F374-Q377 HydrophobicContact CB-CG 3.95Å; F374-Q377 WeakPolarHBondContact O-CB 3.29Å; F374-Q377 PolarHBondContact O-N 2.68Å; Q375-Q377 PolarHBondContact O-N 2.83Å; Q377-T379 PolarHBondContact O-N 3.01Å; Q377-T379 VanDerWaalsContact O-N 3.1Å
378	V	98.1	Very high	98.1	Very high	10 Å²	10	32.7 Å²	32.7	6%	0.061	18%	0.184	C	C	.	.			trans	-82.8	89.8	177.8	-173.2	0	0	0	0	109.8	A371 H372 Q375 L383	A371-V378 HydrophobicContact CB-CG1 4.23Å; A371-V378 HydrophobicContact CB-CG2 4.19Å; H372-V378 HydrophobicContact CB-CG2 3.75Å; Q375-V378 PolarHBondContact O-N 3.37Å; Q375-V378 VanDerWaalsContact O-N 3.15Å; V378-L383 HydrophobicContact CG1-CD1 4.39Å
379	T	97.1	Very high	98.1	Very high	68 Å²	68	32.6 Å²	32.6	42%	0.417	18%	0.184	S	C	.	.			trans	-71.7	156.9	-177.8	72.4	0	0	0	0	113.1	Q377 A381 S382 L383	Q377-T379 PolarHBondContact O-N 3.01Å; Q377-T379 VanDerWaalsContact O-N 3.1Å; T379-A381 PolarHBondContact O-N 2.86Å; T379-S382 PolarHBondContact N-OG 2.96Å; T379-S382 PolarHBondContact O-N 3.43Å; T379-S382 PolarHBondContact O-OG 2.63Å; T379-S382 PolarHBondContact OG1-N 3.12Å; T379-S382 VanDerWaalsContact OG1-N 3.1Å; T379-S382 PolarHBondContact OG1-OG 2.79Å; T379-L383 WeakPolarHBondContact O-CB 3.3Å; T379-L383 PolarHBondContact O-N 2.66Å
380	P	97.9	Very high	98.1	Very high	84 Å²	84	32.6 Å²	32.6	55%	0.545	18%	0.184	S	C	.	.	H	α-helix	trans	-53.6	-37.1	170.9	-30.8	37.8	0	0	0	114.2	R384 L410	P380-R384 WeakPolarHBondContact O-CB 3.43Å; P380-R384 PolarHBondContact O-N 3.09Å; P380-L410 HydrophobicContact CB-CD2 3.6Å; P380-L410 HydrophobicContact CG-CD2 3.92Å
381	A	96.5	Very high	98.1	Very high	73 Å²	73	33.7 Å²	33.7	60%	0.603	19%	0.191	S	C	*	.	H	α-helix	trans	-70.3	-45.4	-179.2	0	0	0	0	0	111.8	T379 L383 N385	T379-A381 PolarHBondContact O-N 2.86Å; A381-L383 VanDerWaalsContact C-N 3.35Å; A381-N385 VanDerWaalsContact O-CB 3.29Å; A381-N385 WeakPolarHBondContact O-CB 3.39Å; A381-N385 PolarHBondContact O-N 3.17Å
382	S	96.5	Very high	98.1	Very high	43 Å²	43	35 Å²	35	30%	0.301	20%	0.196	S	C	.	.	H	α-helix	trans	-63.8	-41.6	176	52.4	0	0	0	0	111.5	T379 N385 L386	T379-S382 PolarHBondContact N-OG 2.96Å; T379-S382 PolarHBondContact O-N 3.43Å; T379-S382 PolarHBondContact O-OG 2.63Å; T379-S382 PolarHBondContact OG1-N 3.12Å; T379-S382 VanDerWaalsContact OG1-N 3.1Å; T379-S382 PolarHBondContact OG1-OG 2.79Å; S382-N385 PolarHBondContact O-N 2.79Å; S382-L386 WeakPolarHBondContact O-CG 3.49Å; S382-L386 PolarHBondContact O-N 3.46Å
383	L	98.1	Very high	98.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.9	-49.7	178.1	-168.8	61.7	0	0	0	111.8	W368 V378 T379 A381 N385 L386 L387 Q408 L410 F411 I414	W368-L383 HydrophobicContact CH2-CD1 3.66Å; W368-L383 HydrophobicContact CZ2-CD1 3.8Å; V378-L383 HydrophobicContact CG1-CD1 4.39Å; T379-L383 WeakPolarHBondContact O-CB 3.3Å; T379-L383 PolarHBondContact O-N 2.66Å; A381-L383 VanDerWaalsContact C-N 3.35Å; L383-N385 VanDerWaalsContact C-N 3.31Å; L383-N385 PolarHBondContact O-N 3.27Å; L383-L386 PolarHBondContact O-N 2.7Å; L383-L387 HydrophobicContact CG-CD1 4.38Å; L383-L387 PolarHBondContact O-N 2.87Å; L383-L387 VanDerWaalsContact O-N 3.1Å; L383-Q408 HydrophobicContact CD2-CG 3.83Å; L383-L410 HydrophobicContact CD2-CB 4.06Å; L383-L410 HydrophobicContact CD2-CD2 4.14Å; L383-L410 HydrophobicContact CD2-CG 3.95Å; L383-F411 HydrophobicContact CD1-CB 4.41Å; L383-F411 HydrophobicContact CD1-CD2 3.96Å; L383-F411 HydrophobicContact CD2-CB 4.02Å; L383-I414 HydrophobicContact CD2-CD1 4.3Å; L383-I414 HydrophobicContact CG-CD1 4.28Å
384	R	98.2	Very high	98.1	Very high	99 Å²	99	36.3 Å²	36.3	37%	0.374	20%	0.203	S	C	.	.	H	α-helix	trans	-62.7	-38.6	176.8	-176.9	167.4	-75.3	-90.1	4.1	111.9	P380 Q388 I414 E417	P380-R384 WeakPolarHBondContact O-CB 3.43Å; P380-R384 PolarHBondContact O-N 3.09Å; R384-Q388 WeakPolarHBondContact O-CB 3.24Å; R384-Q388 PolarHBondContact O-N 3.19Å; R384-I414 HydrophobicContact CB-CD1 3.97Å; R384-E417 IonicContact CZ-OE2 3.75Å; R384-E417 IonicContact NH1-OE2 3.95Å; R384-E417 IonicContact NH2-OE2 3.2Å; R384-E417 PolarHBondContact NH2-OE2 3.23Å
385	N	97.9	Very high	98.1	Very high	35 Å²	35	36.3 Å²	36.3	19%	0.187	20%	0.203	C	C	.	.	H	α-helix	trans	-64.9	-41.8	178.4	-174	61.2	0	0	0	112.7	A381 S382 L383 S389 W871	A381-N385 VanDerWaalsContact O-CB 3.29Å; A381-N385 WeakPolarHBondContact O-CB 3.39Å; A381-N385 PolarHBondContact O-N 3.17Å; S382-N385 PolarHBondContact O-N 2.79Å; L383-N385 VanDerWaalsContact C-N 3.31Å; L383-N385 PolarHBondContact O-N 3.27Å; N385-S389 WeakPolarHBondContact O-CB 3.4Å; N385-S389 PolarHBondContact O-N 2.86Å; N385-S389 PolarHBondContact O-OG 3.17Å; N385-W871 VanDerWaalsContact ND2-CH2 3.27Å; N385-W871 WeakPolarHBondContact ND2-CH2 3.49Å; N385-W871 WeakPolarHBondContact ND2-CZ3 2.98Å; N385-W871 VanDerWaalsContact OD1-CE2 3.24Å
386	L	98.7	Very high	98.1	Very high	13 Å²	13	35.4 Å²	35.4	7%	0.068	20%	0.199	C	C	.	.	H	α-helix	trans	-65	-45.8	177	-70.2	170.4	0	0	0	111.6	W368 A371 S382 L383 S389 A390 N671 I682	W368-L386 HydrophobicContact CH2-CB 4.07Å; W368-L386 HydrophobicContact CH2-CD1 3.68Å; W368-L386 HydrophobicContact CZ3-CB 3.81Å; W368-L386 HydrophobicContact CZ3-CD1 4.07Å; A371-L386 HydrophobicContact CB-CD1 3.86Å; S382-L386 WeakPolarHBondContact O-CG 3.49Å; S382-L386 PolarHBondContact O-N 3.46Å; L383-L386 PolarHBondContact O-N 2.7Å; L386-S389 WeakPolarHBondContact O-CB 3.49Å; L386-S389 PolarHBondContact O-N 3.06Å; L386-A390 PolarHBondContact O-N 3.33Å; L386-A390 VanDerWaalsContact O-N 3.13Å; L386-N671 HydrophobicContact CD2-CB 4.28Å; L386-I682 HydrophobicContact CD2-CB 4.49Å; L386-I682 HydrophobicContact CD2-CD1 4.18Å; L386-I682 HydrophobicContact CD2-CG2 3.69Å
387	L	98.8	Very high	98.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-68.1	-38.6	178.3	-69	174.8	0	0	0	112.4	W368 L383 S389 A390 V391 L398 F411 I414 L418	W368-L387 HydrophobicContact CZ3-CD2 4.32Å; L383-L387 HydrophobicContact CG-CD1 4.38Å; L383-L387 PolarHBondContact O-N 2.87Å; L383-L387 VanDerWaalsContact O-N 3.1Å; L387-S389 VanDerWaalsContact C-N 3.29Å; L387-S389 PolarHBondContact O-N 3.27Å; L387-A390 WeakPolarHBondContact O-CB 3.4Å; L387-A390 PolarHBondContact O-N 2.91Å; L387-V391 PolarHBondContact O-N 2.8Å; L387-L398 HydrophobicContact CD2-CD1 3.53Å; L387-F411 HydrophobicContact CD1-CD2 3.95Å; L387-F411 HydrophobicContact CD1-CE2 4.33Å; L387-F411 HydrophobicContact CD2-CD2 4.18Å; L387-F411 HydrophobicContact CD2-CE2 3.72Å; L387-F411 HydrophobicContact CD2-CZ 4.35Å; L387-F411 HydrophobicContact CG-CD2 4.45Å; L387-F411 HydrophobicContact CG-CE2 4.44Å; L387-I414 HydrophobicContact CB-CG2 3.85Å; L387-I414 HydrophobicContact CD1-CB 3.62Å; L387-I414 HydrophobicContact CD1-CD1 4.28Å; L387-I414 HydrophobicContact CD1-CG2 3.43Å; L387-I414 VanDerWaalsContact CD1-CG2 3.43Å; L387-I414 HydrophobicContact CG-CG2 4.29Å; L387-L418 HydrophobicContact CB-CD1 4.1Å
388	Q	98.4	Very high	98.3	Very high	62 Å²	62	29.9 Å²	29.9	29%	0.29	17%	0.172	S	C	.	.	H	α-helix	trans	-64.1	-36.5	172.1	-173.2	61.4	56.6	0	0	111.2	R384 A390 V391 D392	R384-Q388 WeakPolarHBondContact O-CB 3.24Å; R384-Q388 PolarHBondContact O-N 3.19Å; Q388-A390 VanDerWaalsContact C-N 3.33Å; Q388-A390 PolarHBondContact O-N 3.16Å; Q388-V391 PolarHBondContact O-N 2.9Å; Q388-D392 PolarHBondContact NE2-OD1 2.78Å; Q388-D392 WeakPolarHBondContact O-CB 3.43Å; Q388-D392 PolarHBondContact O-N 3.15Å
389	S	98.8	Very high	98.3	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.007	17%	0.17	C	C	.	.	H	α-helix	trans	-61.3	-42.6	176	-64.6	0	0	0	0	111.7	N385 L386 L387 V391 D392 A393 W688 H692	N385-S389 WeakPolarHBondContact O-CB 3.4Å; N385-S389 PolarHBondContact O-N 2.86Å; N385-S389 PolarHBondContact O-OG 3.17Å; L386-S389 WeakPolarHBondContact O-CB 3.49Å; L386-S389 PolarHBondContact O-N 3.06Å; L387-S389 VanDerWaalsContact C-N 3.29Å; L387-S389 PolarHBondContact O-N 3.27Å; S389-V391 VanDerWaalsContact C-N 3.34Å; S389-V391 PolarHBondContact O-N 2.71Å; S389-D392 PolarHBondContact O-N 3.08Å; S389-A393 WeakPolarHBondContact O-CB 3.44Å; S389-A393 PolarHBondContact O-N 3.45Å; S389-W688 VanDerWaalsContact CB-NE1 3.32Å; S389-W688 PolarHBondContact OG-NE1 3.39Å; S389-H692 PolarHBondContact O-NE2 3.2Å
390	A	98.8	Very high	98.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-58.5	-44.2	173.5	0	0	0	0	0	112.3	L386 L387 Q388 A393 M395 L398 L670	L386-A390 PolarHBondContact O-N 3.33Å; L386-A390 VanDerWaalsContact O-N 3.13Å; L387-A390 WeakPolarHBondContact O-CB 3.4Å; L387-A390 PolarHBondContact O-N 2.91Å; Q388-A390 VanDerWaalsContact C-N 3.33Å; Q388-A390 PolarHBondContact O-N 3.16Å; A390-A393 CarbonylContact O-C 3.5Å; A390-A393 PolarHBondContact O-N 2.99Å; A390-M395 HydrophobicContact CB-CB 4.3Å; A390-M395 HydrophobicContact CB-CG 4.42Å; A390-M395 HydrophobicContact CB-SD 3.74Å; A390-M395 WeakPolarHBondContact O-CB 3.46Å; A390-M395 VanDerWaalsContact O-CG 3.27Å; A390-M395 WeakPolarHBondContact O-CG 3.45Å; A390-M395 PolarHBondContact O-N 3.22Å; A390-L398 HydrophobicContact CB-CD1 4.32Å; A390-L398 HydrophobicContact CB-CD2 4.34Å; A390-L670 HydrophobicContact CB-CD1 4.37Å
391	V	98.6	Very high	98.5	Very high	25 Å²	25	22.5 Å²	22.5	15%	0.152	13%	0.125	C	C	.	.	H	α-helix	trans	-63.4	-44.6	175.5	175.1	0	0	0	0	111.6	L387 Q388 S389 A393 N394 L418 V420	L387-V391 PolarHBondContact O-N 2.8Å; Q388-V391 PolarHBondContact O-N 2.9Å; S389-V391 VanDerWaalsContact C-N 3.34Å; S389-V391 PolarHBondContact O-N 2.71Å; V391-A393 PolarHBondContact O-N 3.41Å; V391-N394 WeakPolarHBondContact O-CA 3.44Å; V391-N394 PolarHBondContact O-N 3.49Å; V391-L418 HydrophobicContact CG2-CB 3.96Å; V391-L418 HydrophobicContact CG2-CD1 4.03Å; V391-L418 HydrophobicContact CG2-CG 4.46Å; V391-V420 HydrophobicContact CG2-CG2 3.71Å
392	D	98.4	Very high	98.6	Very high	39 Å²	39	19 Å²	19	21%	0.209	10%	0.096	C	C	.	.	H	α-helix	trans	-63.8	-23.6	179	-66.4	-15.6	0	0	0	112.1	Q388 S389 N394 W688 Q696 R851	Q388-D392 PolarHBondContact NE2-OD1 2.78Å; Q388-D392 WeakPolarHBondContact O-CB 3.43Å; Q388-D392 PolarHBondContact O-N 3.15Å; S389-D392 PolarHBondContact O-N 3.08Å; D392-N394 VanDerWaalsContact C-N 3.29Å; D392-W688 HydrophobicContact CB-CH2 3.87Å; D392-W688 HydrophobicContact CB-CZ2 4.01Å; D392-Q696 WeakPolarHBondContact O-CG 3.41Å; D392-Q696 PolarHBondContact O-NE2 2.87Å; D392-R851 VanDerWaalsContact CG-NH2 3.28Å; D392-R851 IonicContact OD1-NH2 3.69Å; D392-R851 IonicContact OD2-CZ 3.25Å; D392-R851 VanDerWaalsContact OD2-CZ 3.31Å; D392-R851 IonicContact OD2-NE 2.66Å; D392-R851 PolarHBondContact OD2-NE 3.21Å; D392-R851 IonicContact OD2-NH2 3.89Å; D392-R851 PolarHBondContact OD2-NH2 3.44Å
393	A	98.7	Very high	98.7	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	15.8	171	0	0	0	0	0	113.7	S389 A390 V391 M395 H692 A695	S389-A393 WeakPolarHBondContact O-CB 3.44Å; S389-A393 PolarHBondContact O-N 3.45Å; A390-A393 CarbonylContact O-C 3.5Å; A390-A393 PolarHBondContact O-N 2.99Å; V391-A393 PolarHBondContact O-N 3.41Å; A393-M395 HydrophobicContact CB-CE 4.25Å; A393-M395 HydrophobicContact CB-CG 4.42Å; A393-M395 PolarHBondContact O-N 2.84Å; A393-H692 WeakPolarHBondContact CB-NE2 3.16Å; A393-A695 HydrophobicContact CB-CB 4.24Å
394	N	98.8	Very high	98.7	Very high	69 Å²	69	17 Å²	17	37%	0.369	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	23.6	178.9	-62.1	-52.2	0	0	0	114.9	K364 V391 D392 Q696 F699	K364-N394 WeakPolarHBondContact CE-O 3.4Å; V391-N394 WeakPolarHBondContact O-CA 3.44Å; V391-N394 PolarHBondContact O-N 3.49Å; D392-N394 VanDerWaalsContact C-N 3.29Å; N394-Q696 PolarHBondContact ND2-O 2.95Å; N394-F699 HydrophobicContact CB-CB 3.93Å; N394-F699 WeakPolarHBondContact CB-O 3.35Å
395	M	98.9	Very high	98.7	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.005	7%	0.065	C	C	.	.			trans	-75.6	145.9	173.5	-55.3	-176	-177.3	0	0	111.1	K364 A390 A393 L398 Y667 L670 A695 F699	K364-M395 CarbonylContact O-C 3.5Å; K364-M395 VanDerWaalsContact O-CA 3.29Å; K364-M395 WeakPolarHBondContact O-CA 3.43Å; K364-M395 WeakPolarHBondContact O-CB 3.25Å; A390-M395 HydrophobicContact CB-CB 4.3Å; A390-M395 HydrophobicContact CB-CG 4.42Å; A390-M395 HydrophobicContact CB-SD 3.74Å; A390-M395 WeakPolarHBondContact O-CB 3.46Å; A390-M395 VanDerWaalsContact O-CG 3.27Å; A390-M395 WeakPolarHBondContact O-CG 3.45Å; A390-M395 PolarHBondContact O-N 3.22Å; A393-M395 HydrophobicContact CB-CE 4.25Å; A393-M395 HydrophobicContact CB-CG 4.42Å; A393-M395 PolarHBondContact O-N 2.84Å; M395-L398 HydrophobicContact SD-CD2 4.13Å; M395-Y667 HydrophobicContact CE-CE1 3.65Å; M395-Y667 WeakPolarHBondContact CE-OH 3.27Å; M395-L670 HydrophobicContact CE-CD1 4Å; M395-L670 HydrophobicContact SD-CD1 4.11Å; M395-A695 HydrophobicContact CE-CB 4.41Å; M395-F699 HydrophobicContact CE-CE2 4.32Å; M395-F699 HydrophobicContact CG-CD2 4.03Å; M395-F699 HydrophobicContact CG-CE2 4.14Å
396	N	98.9	Very high	98.8	Very high	5 Å²	5	10.8 Å²	10.8	3%	0.027	6%	0.057	C	C	.	.			trans	-121.3	-2.9	173.7	65.7	16.3	0	0	0	113	P303 F362 K364 M421	P303-N396 HydrophobicContact CB-CB 4.35Å; F362-N396 PolarHBondContact O-ND2 2.84Å; K364-N396 PolarHBondContact N-OD1 3.09Å; K364-N396 PolarHBondContact O-N 2.78Å; K364-N396 PolarHBondContact O-OD1 3.48Å; N396-M421 HydrophobicContact CB-CE 4.25Å; N396-M421 WeakPolarHBondContact O-CB 3.46Å; N396-M421 WeakPolarHBondContact O-CE 3.38Å; N396-M421 PolarHBondContact O-N 2.76Å
397	A	98.9	Very high	98.8	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.008	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	146.5	179.6	0	0	0	0	0	111.9	L363 K364 G365 M421 L666	L363-A397 HydrophobicContact CB-CB 4.23Å; L363-A397 HydrophobicContact CD2-CB 4.19Å; L363-A397 HydrophobicContact CG-CB 3.98Å; K364-A397 PolarHBondContact O-N 3.15Å; G365-A397 VanDerWaalsContact CA-O 3.32Å; G365-A397 WeakPolarHBondContact CA-O 3.48Å; A397-M421 CarbonylContact C-O 3.6Å; A397-M421 VanDerWaalsContact CA-O 3.24Å; A397-M421 WeakPolarHBondContact CA-O 3.5Å; A397-M421 HydrophobicContact CB-CB 4.18Å; A397-M421 HydrophobicContact CB-CE 4.27Å; A397-L666 HydrophobicContact CB-CD2 4.04Å
398	L	98.9	Very high	98.8	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	145	165.5	-68.3	176.6	0	0	0	109.3	S366 W368 L387 A390 M395 V420 M421 V422 W423 L670	S366-L398 WeakPolarHBondContact O-CA 3.08Å; W368-L398 HydrophobicContact CE3-CD1 4.44Å; L387-L398 HydrophobicContact CD2-CD1 3.53Å; A390-L398 HydrophobicContact CB-CD1 4.32Å; A390-L398 HydrophobicContact CB-CD2 4.34Å; M395-L398 HydrophobicContact SD-CD2 4.13Å; L398-V420 HydrophobicContact CB-CG1 4.23Å; L398-V420 HydrophobicContact CD1-CG1 3.99Å; L398-V420 HydrophobicContact CG-CG1 3.81Å; L398-M421 PolarHBondContact N-O 2.8Å; L398-V422 CarbonylContact O-C 3.54Å; L398-V422 VanDerWaalsContact O-CA 3.3Å; L398-V422 WeakPolarHBondContact O-CA 3.37Å; L398-W423 PolarHBondContact O-N 2.75Å; L398-L670 HydrophobicContact CD1-CD2 4.12Å; L398-L670 HydrophobicContact CD2-CD1 4.49Å; L398-L670 HydrophobicContact CD2-CD2 3.92Å
399	R	99	Very high	98.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	114.5	170.9	172.1	162.8	168.8	-108.4	8.6	110.3	S366 N367 W368 W401 W423 D425 N467 E565 L666	S366-R399 PolarHBondContact O-N 2.79Å; N367-R399 CarbonylContact C-O 3.59Å; N367-R399 WeakPolarHBondContact OD1-CB 3.42Å; N367-R399 VanDerWaalsContact OD1-CD 3.26Å; N367-R399 WeakPolarHBondContact OD1-CD 3.26Å; N367-R399 WeakPolarHBondContact OD1-CG 3.21Å; N367-R399 PolarHBondContact OD1-NH1 3.18Å; W368-R399 PolarHBondContact N-O 2.97Å; R399-W401 PolarHBondContact O-N 2.78Å; R399-W401 VanDerWaalsContact O-N 3.13Å; R399-W423 CarbonylContact C-O 3.54Å; R399-W423 WeakPolarHBondContact CA-O 3.22Å; R399-W423 HydrophobicContact CB-CB 3.94Å; R399-W423 HydrophobicContact CB-CG 4.25Å; R399-W423 HydrophobicContact CG-CB 4.11Å; R399-W423 HydrophobicContact CG-CG 3.95Å; R399-D425 IonicContact CZ-OD1 2.81Å; R399-D425 IonicContact CZ-OD2 2.67Å; R399-D425 VanDerWaalsContact CZ-OD2 3.24Å; R399-D425 IonicContact NE-OD1 2.75Å; R399-D425 PolarHBondContact NE-OD1 3.28Å; R399-D425 IonicContact NE-OD2 3.35Å; R399-D425 PolarHBondContact NE-OD2 3.2Å; R399-D425 IonicContact NH2-OD1 3.7Å; R399-D425 IonicContact NH2-OD2 3.11Å; R399-D425 PolarHBondContact NH2-OD2 2.91Å; R399-N467 PolarHBondContact NH2-OD1 2.89Å; R399-E565 IonicContact CZ-OE1 3.84Å; R399-E565 IonicContact NH1-OE1 3.35Å; R399-E565 PolarHBondContact NH1-OE1 2.76Å; R399-E565 IonicContact NH2-OE1 3.2Å; R399-L666 HydrophobicContact CB-CD1 4.2Å
400	V	98.9	Very high	98.7	Very high	2 Å²	2	16 Å²	16	1%	0.012	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	99.1	171.6	178.1	0	0	0	0	107	E407 F411 V422 W423 D425 M427	V400-E407 HydrophobicContact CG1-CG 4.5Å; V400-F411 HydrophobicContact CG2-CE1 3.53Å; V400-F411 HydrophobicContact CG2-CZ 3.58Å; V400-V422 HydrophobicContact CB-CG1 4.48Å; V400-V422 HydrophobicContact CG2-CG1 3.79Å; V400-W423 PolarHBondContact N-O 3.37Å; V400-D425 WeakPolarHBondContact O-CB 3.22Å; V400-D425 PolarHBondContact O-N 3.36Å; V400-M427 HydrophobicContact CG1-CE 4.33Å
401	W	98.9	Very high	98.7	Very high	4 Å²	4	16 Å²	16	2%	0.015	9%	0.085	C	C	.	.			trans	-70.5	141	-169.9	170.6	84.9	0	0	0	113.1	W201 W203 W368 I369 R399 G403 G404 A429 N467 W668	W201-W401 AromaticContact CD2-CH2 3.69Å; W201-W401 HydrophobicContact CD2-CH2 3.69Å; W201-W401 HydrophobicContact CD2-CZ2 4.29Å; W201-W401 AromaticContact CE2-CH2 3.44Å; W201-W401 VanDerWaalsContact CE2-CH2 3.44Å; W201-W401 AromaticContact CE2-CZ2 3.56Å; W201-W401 HydrophobicContact CE3-CH2 4Å; W201-W401 HydrophobicContact CG-CH2 4.31Å; W201-W401 AromaticContact CH2-CH2 3.85Å; W201-W401 HydrophobicContact CH2-CH2 3.85Å; W201-W401 AromaticContact CH2-CZ2 3.84Å; W201-W401 HydrophobicContact CH2-CZ2 3.84Å; W201-W401 AromaticContact CZ2-CH2 3.56Å; W201-W401 HydrophobicContact CZ2-CH2 3.56Å; W201-W401 AromaticContact CZ2-CZ2 3.33Å; W201-W401 HydrophobicContact CZ2-CZ2 3.33Å; W201-W401 HydrophobicContact CZ3-CH2 4.07Å; W201-W401 AromaticContact NE1-CH2 3.92Å; W201-W401 AromaticContact NE1-CZ2 3.95Å; W203-W401 HydrophobicContact CH2-CZ3 4.26Å; W203-W401 HydrophobicContact CZ2-CE3 4.3Å; W203-W401 HydrophobicContact CZ2-CH2 4.18Å; W203-W401 AromaticContact CZ2-CZ3 3.73Å; W203-W401 HydrophobicContact CZ2-CZ3 3.73Å; W368-W401 PolarHBondContact O-N 2.88Å; I369-W401 HydrophobicContact CG2-CE3 4.36Å; R399-W401 PolarHBondContact O-N 2.78Å; R399-W401 VanDerWaalsContact O-N 3.13Å; W401-G403 VanDerWaalsContact C-N 3.31Å; W401-G403 VanDerWaalsContact CD2-N 3.32Å; W401-G403 VanDerWaalsContact CE3-CA 3.45Å; W401-G403 PolarHBondContact O-N 3.4Å; W401-G403 VanDerWaalsContact O-N 3.16Å; W401-G404 PolarHBondContact O-N 3.44Å; W401-G404 VanDerWaalsContact O-N 3.17Å; W401-A429 HydrophobicContact CH2-CB 4.16Å; W401-A429 HydrophobicContact CZ2-CB 3.57Å; W401-N467 PolarHBondContact NE1-ND2 2.89Å; W401-N467 VanDerWaalsContact NE1-ND2 3.17Å; W401-N467 PolarHBondContact NE1-OD1 3.03Å; W401-W668 HydrophobicContact CB-CH2 4.22Å; W401-W668 HydrophobicContact CB-CZ3 4.02Å; W401-W668 AromaticContact CD1-CH2 3.55Å; W401-W668 AromaticContact CD1-CZ3 3.44Å; W401-W668 VanDerWaalsContact CD1-CZ3 3.44Å; W401-W668 AromaticContact CD2-CH2 3.68Å; W401-W668 HydrophobicContact CD2-CH2 3.68Å; W401-W668 HydrophobicContact CD2-CZ3 4.27Å; W401-W668 AromaticContact CE2-CH2 3.77Å; W401-W668 HydrophobicContact CE3-CH2 4.34Å; W401-W668 AromaticContact CG-CH2 3.58Å; W401-W668 HydrophobicContact CG-CH2 3.58Å; W401-W668 AromaticContact CG-CZ3 3.66Å; W401-W668 HydrophobicContact CG-CZ3 3.66Å; W401-W668 AromaticContact NE1-CH2 3.64Å; W401-W668 AromaticContact NE1-CZ3 3.93Å
402	G	98.8	Very high	98.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-6.4	-167.4	0	0	0	0	0	117.6	D425 F426 M427 F428	G402-D425 VanDerWaalsContact CA-CB 3.49Å; G402-D425 PolarHBondContact N-OD2 2.92Å; G402-F426 VanDerWaalsContact CA-O 3.31Å; G402-F426 WeakPolarHBondContact CA-O 3.5Å; G402-M427 CarbonylContact O-C 3.47Å; G402-M427 WeakPolarHBondContact O-CA 3.33Å; G402-F428 CarbonylContact O-C 3.56Å; G402-F428 PolarHBondContact O-N 2.88Å
403	G	98.7	Very high	98.8	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-1.9	172	0	0	0	0	0	114	Q196 S197 W401	Q196-G403 WeakPolarHBondContact CA-O 3.3Å; Q196-G403 PolarHBondContact N-O 3.18Å; S197-G403 PolarHBondContact N-O 2.7Å; S197-G403 PolarHBondContact OG-O 2.86Å; W401-G403 VanDerWaalsContact C-N 3.31Å; W401-G403 VanDerWaalsContact CD2-N 3.32Å; W401-G403 VanDerWaalsContact CE3-CA 3.45Å; W401-G403 PolarHBondContact O-N 3.4Å; W401-G403 VanDerWaalsContact O-N 3.16Å
404	G	98.7	Very high	98.8	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.01	8%	0.081	C	C	.	.	S	Bend	trans	-84.8	-131.6	175.3	0	0	0	0	0	113.1	E195 P370 W401	E195-G404 WeakPolarHBondContact CA-O 3.43Å; P370-G404 VanDerWaalsContact CG-CA 3.47Å; W401-G404 PolarHBondContact O-N 3.44Å; W401-G404 VanDerWaalsContact O-N 3.17Å
405	V	98.8	Very high	98.8	Very high	2 Å²	2	12.1 Å²	12.1	1%	0.012	6%	0.063	C	C	.	.			trans	-126.8	154.5	177.2	-59	0	0	0	0	110.5	M132 F133 E195 E407 M427	M132-V405 HydrophobicContact CE-CG1 3.93Å; F133-V405 HydrophobicContact CE1-CB 4Å; F133-V405 HydrophobicContact CE1-CG1 3.98Å; E195-V405 HydrophobicContact CB-CG1 3.85Å; E195-V405 HydrophobicContact CG-CG1 3.97Å; V405-E407 PolarHBondContact O-N 3.5Å; V405-E407 VanDerWaalsContact O-N 3.14Å; V405-M427 WeakPolarHBondContact CA-SD 3.31Å; V405-M427 PolarHBondContact N-SD 3.02Å; V405-M427 VanDerWaalsContact N-SD 3.43Å
406	Y	98.9	Very high	98.8	Very high	1 Å²	1	12.2 Å²	12.2	0%	0.004	6%	0.063	C	C	.	.	P	Polyproline II helix	trans	-64.1	116.4	156.5	-50.3	-84.3	0	0	0	107.1	F133 F426 M427 E446 Q450	F133-Y406 HydrophobicContact CB-CD2 3.74Å; F133-Y406 HydrophobicContact CB-CE2 3.69Å; F133-Y406 AromaticContact CD1-CD2 3.68Å; F133-Y406 HydrophobicContact CD1-CD2 3.68Å; F133-Y406 HydrophobicContact CD1-CE2 4.08Å; F133-Y406 HydrophobicContact CD2-CD2 4.35Å; F133-Y406 AromaticContact CD2-CE2 3.91Å; F133-Y406 HydrophobicContact CD2-CE2 3.91Å; F133-Y406 HydrophobicContact CE1-CD2 4.35Å; F133-Y406 AromaticContact CG-CD2 3.66Å; F133-Y406 HydrophobicContact CG-CD2 3.66Å; F133-Y406 AromaticContact CG-CE2 3.62Å; F133-Y406 HydrophobicContact CG-CE2 3.62Å; Y406-F426 AromaticContact CE1-CD1 3.87Å; Y406-F426 HydrophobicContact CE1-CD1 3.87Å; Y406-F426 HydrophobicContact CE1-CE1 4.37Å; Y406-F426 AromaticContact CZ-CD1 3.99Å; Y406-F426 VanDerWaalsContact OH-CD1 3.29Å; Y406-F426 WeakPolarHBondContact OH-CD1 3.2Å; Y406-M427 HydrophobicContact CD1-CE 4Å; Y406-M427 HydrophobicContact CD1-CG 4.25Å; Y406-M427 HydrophobicContact CD2-CG 3.62Å; Y406-M427 HydrophobicContact CE1-CE 4.17Å; Y406-M427 HydrophobicContact CE1-CG 4.04Å; Y406-M427 HydrophobicContact CE2-CB 3.98Å; Y406-M427 HydrophobicContact CE2-CG 3.37Å; Y406-M427 HydrophobicContact CG-CE 4.34Å; Y406-M427 HydrophobicContact CG-CG 4.05Å; Y406-M427 PolarHBondContact OH-N 3.27Å; Y406-E446 HydrophobicContact CE2-CG 3.96Å; Y406-E446 WeakPolarHBondContact CE2-OE1 3.37Å; Y406-E446 PolarHBondContact OH-OE1 3.15Å; Y406-Q450 HydrophobicContact CD1-CB 4.16Å; Y406-Q450 HydrophobicContact CD1-CG 4.08Å; Y406-Q450 HydrophobicContact CD2-CG 3.64Å; Y406-Q450 HydrophobicContact CE1-CB 4.18Å; Y406-Q450 HydrophobicContact CE1-CG 4.2Å; Y406-Q450 HydrophobicContact CE2-CG 3.78Å; Y406-Q450 HydrophobicContact CG-CB 4.36Å; Y406-Q450 HydrophobicContact CG-CG 3.8Å
407	E	98.8	Very high	98.8	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.005	8%	0.079	C	C	.	.	P	Polyproline II helix	trans	-62.9	164.3	-168.1	-90.3	-65.3	167.6	0	0	113.2	W368 V400 V405 F411 Y412 R453	W368-E407 PolarHBondContact NE1-OE1 3.15Å; V400-E407 HydrophobicContact CG1-CG 4.5Å; V405-E407 PolarHBondContact O-N 3.5Å; V405-E407 VanDerWaalsContact O-N 3.14Å; E407-F411 HydrophobicContact CB-CB 3.71Å; E407-F411 HydrophobicContact CB-CD1 3.72Å; E407-F411 HydrophobicContact CB-CD2 4.32Å; E407-F411 HydrophobicContact CB-CE1 4.43Å; E407-F411 HydrophobicContact CB-CG 3.67Å; E407-F411 HydrophobicContact CG-CB 4.26Å; E407-F411 HydrophobicContact CG-CD1 4.12Å; E407-F411 HydrophobicContact CG-CD2 4.02Å; E407-F411 HydrophobicContact CG-CE2 4.38Å; E407-F411 HydrophobicContact CG-CG 3.88Å; E407-Y412 HydrophobicContact CB-CE2 3.73Å; E407-Y412 PolarHBondContact N-OH 2.91Å; E407-Y412 WeakPolarHBondContact O-CE2 3.08Å; E407-R453 PolarHBondContact O-NH1 3.39Å; E407-R453 PolarHBondContact O-NH2 3.44Å
408	Q	98.1	Very high	98.8	Very high	49 Å²	49	16.7 Å²	16.7	23%	0.229	9%	0.085	C	C	.	.	P	Polyproline II helix	trans	-62.9	151.7	174.2	60.3	-177.3	-54.9	0	0	111.5	L383 L410 F411	L383-Q408 HydrophobicContact CD2-CG 3.83Å; Q408-L410 HydrophobicContact CG-CB 4.43Å; Q408-L410 PolarHBondContact O-N 3Å; Q408-L410 VanDerWaalsContact O-N 3.09Å; Q408-F411 HydrophobicContact CG-CB 4.44Å; Q408-F411 VanDerWaalsContact O-CB 3.29Å; Q408-F411 WeakPolarHBondContact O-CB 3.47Å; Q408-F411 PolarHBondContact O-N 3.13Å
409	D	98.1	Very high	98.7	Very high	84 Å²	84	16.7 Å²	16.7	45%	0.449	9%	0.085	S	C	.	.	H	α-helix	trans	-53.5	-37.8	-176.2	-61.9	-29.7	0	0	0	112.3	F411 Y412 D413 R453	D409-F411 PolarHBondContact O-N 2.66Å; D409-Y412 PolarHBondContact O-N 3.36Å; D409-D413 PolarHBondContact O-N 3.13Å; D409-R453 WeakPolarHBondContact OD1-CD 3.41Å; D409-R453 IonicContact OD1-CZ 3.82Å; D409-R453 IonicContact OD1-NE 2.78Å; D409-R453 IonicContact OD1-NH1 3.05Å; D409-R453 PolarHBondContact OD1-NH1 3.2Å
410	L	98.6	Very high	98.7	Very high	53 Å²	53	16.7 Å²	16.7	28%	0.277	9%	0.085	S	C	.	.	H	α-helix	trans	-59.5	-31	178.5	-177.1	61.6	0	0	0	113.4	P380 L383 Q408 I414	P380-L410 HydrophobicContact CB-CD2 3.6Å; P380-L410 HydrophobicContact CG-CD2 3.92Å; L383-L410 HydrophobicContact CD2-CB 4.06Å; L383-L410 HydrophobicContact CD2-CD2 4.14Å; L383-L410 HydrophobicContact CD2-CG 3.95Å; Q408-L410 HydrophobicContact CG-CB 4.43Å; Q408-L410 PolarHBondContact O-N 3Å; Q408-L410 VanDerWaalsContact O-N 3.09Å; L410-I414 HydrophobicContact CD1-CD1 3.94Å; L410-I414 HydrophobicContact CD1-CG1 4.05Å; L410-I414 HydrophobicContact CD2-CD1 4.4Å; L410-I414 HydrophobicContact CG-CD1 3.76Å; L410-I414 HydrophobicContact CG-CG1 4.32Å; L410-I414 WeakPolarHBondContact O-CB 3.43Å; L410-I414 WeakPolarHBondContact O-CD1 3.39Å; L410-I414 WeakPolarHBondContact O-CG1 3.42Å; L410-I414 PolarHBondContact O-N 3.4Å
411	F	98.9	Very high	98.7	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-61.1	-52.5	176.5	171.9	-89.9	0	0	0	110.4	W368 L383 L387 V400 E407 Q408 D409 D413 I414 C415 V422	W368-F411 HydrophobicContact CD2-CD2 4.45Å; W368-F411 AromaticContact CD2-CE2 3.61Å; W368-F411 HydrophobicContact CD2-CE2 3.61Å; W368-F411 HydrophobicContact CD2-CZ 4.33Å; W368-F411 AromaticContact CE2-CE2 3.69Å; W368-F411 AromaticContact CE3-CE2 3.85Å; W368-F411 HydrophobicContact CE3-CE2 3.85Å; W368-F411 HydrophobicContact CG-CE2 4.03Å; W368-F411 HydrophobicContact CG-CZ 4.3Å; W368-F411 HydrophobicContact CH2-CD2 4.43Å; W368-F411 HydrophobicContact CH2-CE2 4.32Å; W368-F411 HydrophobicContact CZ2-CD2 4.11Å; W368-F411 HydrophobicContact CZ2-CE2 4.07Å; W368-F411 HydrophobicContact CZ3-CE2 4.21Å; L383-F411 HydrophobicContact CD1-CB 4.41Å; L383-F411 HydrophobicContact CD1-CD2 3.96Å; L383-F411 HydrophobicContact CD2-CB 4.02Å; L387-F411 HydrophobicContact CD1-CD2 3.95Å; L387-F411 HydrophobicContact CD1-CE2 4.33Å; L387-F411 HydrophobicContact CD2-CD2 4.18Å; L387-F411 HydrophobicContact CD2-CE2 3.72Å; L387-F411 HydrophobicContact CD2-CZ 4.35Å; L387-F411 HydrophobicContact CG-CD2 4.45Å; L387-F411 HydrophobicContact CG-CE2 4.44Å; V400-F411 HydrophobicContact CG2-CE1 3.53Å; V400-F411 HydrophobicContact CG2-CZ 3.58Å; E407-F411 HydrophobicContact CB-CB 3.71Å; E407-F411 HydrophobicContact CB-CD1 3.72Å; E407-F411 HydrophobicContact CB-CD2 4.32Å; E407-F411 HydrophobicContact CB-CE1 4.43Å; E407-F411 HydrophobicContact CB-CG 3.67Å; E407-F411 HydrophobicContact CG-CB 4.26Å; E407-F411 HydrophobicContact CG-CD1 4.12Å; E407-F411 HydrophobicContact CG-CD2 4.02Å; E407-F411 HydrophobicContact CG-CE2 4.38Å; E407-F411 HydrophobicContact CG-CG 3.88Å; Q408-F411 HydrophobicContact CG-CB 4.44Å; Q408-F411 VanDerWaalsContact O-CB 3.29Å; Q408-F411 WeakPolarHBondContact O-CB 3.47Å; Q408-F411 PolarHBondContact O-N 3.13Å; D409-F411 PolarHBondContact O-N 2.66Å; F411-D413 PolarHBondContact O-N 2.8Å; F411-I414 PolarHBondContact O-N 2.9Å; F411-C415 PolarHBondContact O-N 3.28Å; F411-C415 PolarHBondContact O-SG 3.08Å; F411-C415 VanDerWaalsContact O-SG 3.39Å; F411-V422 HydrophobicContact CE1-CG2 4.09Å
412	Y	98.9	Very high	98.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-68.7	-36.7	-178	-57.7	-82.3	0	0	0	111.8	E407 D409 I414 C415 D416 V422 Q424 L454 I460	E407-Y412 HydrophobicContact CB-CE2 3.73Å; E407-Y412 PolarHBondContact N-OH 2.91Å; E407-Y412 WeakPolarHBondContact O-CE2 3.08Å; D409-Y412 PolarHBondContact O-N 3.36Å; Y412-I414 VanDerWaalsContact C-N 3.32Å; Y412-I414 PolarHBondContact O-N 2.86Å; Y412-C415 PolarHBondContact O-N 3.25Å; Y412-D416 WeakPolarHBondContact O-CB 3.49Å; Y412-D416 PolarHBondContact O-N 3.21Å; Y412-V422 HydrophobicContact CE1-CG1 4.35Å; Y412-Q424 VanDerWaalsContact CE1-OE1 3.27Å; Y412-Q424 PolarHBondContact OH-OE1 3.26Å; Y412-L454 HydrophobicContact CD1-CD2 4.18Å; Y412-L454 HydrophobicContact CD2-CD2 3.48Å; Y412-L454 VanDerWaalsContact CD2-CD2 3.48Å; Y412-L454 HydrophobicContact CE1-CD1 4.32Å; Y412-L454 HydrophobicContact CE1-CD2 4.08Å; Y412-L454 HydrophobicContact CE2-CD1 4.21Å; Y412-L454 HydrophobicContact CE2-CD2 3.36Å; Y412-L454 HydrophobicContact CE2-CG 4.43Å; Y412-L454 HydrophobicContact CG-CD2 3.89Å; Y412-I460 HydrophobicContact CD1-CD1 4.08Å; Y412-I460 HydrophobicContact CD1-CG1 4.17Å; Y412-I460 HydrophobicContact CE1-CD1 3.99Å; Y412-I460 HydrophobicContact CE1-CG1 4.27Å
413	D	98.7	Very high	98.8	Very high	50 Å²	50	16.5 Å²	16.5	27%	0.267	8%	0.084	S	C	.	.	H	α-helix	trans	-58.5	-43.3	172.2	-80.9	-35.9	0	0	0	111.9	R331 D409 F411 E417 H457	R331-D413 IonicContact CZ-OD1 2.82Å; R331-D413 VanDerWaalsContact NH2-CG 3.27Å; R331-D413 IonicContact NH2-OD1 3.62Å; R331-D413 PolarHBondContact NH2-OD1 2.9Å; D409-D413 PolarHBondContact O-N 3.13Å; F411-D413 PolarHBondContact O-N 2.8Å; D413-E417 WeakPolarHBondContact O-CB 3.49Å; D413-E417 VanDerWaalsContact O-CG 3.25Å; D413-E417 WeakPolarHBondContact O-CG 3.47Å; D413-E417 PolarHBondContact O-N 2.92Å; D413-H457 IonicContact OD1-CE1 3.33Å
414	I	98.9	Very high	98.8	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-69.3	-40.6	177	-66	165.2	0	0	0	110.6	L383 R384 L387 L410 F411 Y412 D416 E417 L418	L383-I414 HydrophobicContact CD2-CD1 4.3Å; L383-I414 HydrophobicContact CG-CD1 4.28Å; R384-I414 HydrophobicContact CB-CD1 3.97Å; L387-I414 HydrophobicContact CB-CG2 3.85Å; L387-I414 HydrophobicContact CD1-CB 3.62Å; L387-I414 HydrophobicContact CD1-CD1 4.28Å; L387-I414 HydrophobicContact CD1-CG2 3.43Å; L387-I414 VanDerWaalsContact CD1-CG2 3.43Å; L387-I414 HydrophobicContact CG-CG2 4.29Å; L410-I414 HydrophobicContact CD1-CD1 3.94Å; L410-I414 HydrophobicContact CD1-CG1 4.05Å; L410-I414 HydrophobicContact CD2-CD1 4.4Å; L410-I414 HydrophobicContact CG-CD1 3.76Å; L410-I414 HydrophobicContact CG-CG1 4.32Å; L410-I414 WeakPolarHBondContact O-CB 3.43Å; L410-I414 WeakPolarHBondContact O-CD1 3.39Å; L410-I414 WeakPolarHBondContact O-CG1 3.42Å; L410-I414 PolarHBondContact O-N 3.4Å; F411-I414 PolarHBondContact O-N 2.9Å; Y412-I414 VanDerWaalsContact C-N 3.32Å; Y412-I414 PolarHBondContact O-N 2.86Å; I414-D416 VanDerWaalsContact C-N 3.33Å; I414-D416 PolarHBondContact O-N 3.3Å; I414-E417 PolarHBondContact O-N 3.14Å; I414-L418 HydrophobicContact CG2-CD1 3.48Å; I414-L418 VanDerWaalsContact CG2-CD1 3.48Å; I414-L418 HydrophobicContact CG2-CG 3.94Å; I414-L418 VanDerWaalsContact O-CB 3.3Å; I414-L418 WeakPolarHBondContact O-CB 3.41Å; I414-L418 WeakPolarHBondContact O-CG 3.45Å; I414-L418 PolarHBondContact O-N 3.32Å
415	C	98.9	Very high	98.8	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-59.8	-42.6	175.2	-73.5	0	0	0	0	112.1	F411 Y412 L418 G419 V420 V422	F411-C415 PolarHBondContact O-N 3.28Å; F411-C415 PolarHBondContact O-SG 3.08Å; F411-C415 VanDerWaalsContact O-SG 3.39Å; Y412-C415 PolarHBondContact O-N 3.25Å; C415-L418 PolarHBondContact O-N 2.86Å; C415-G419 PolarHBondContact O-N 3.38Å; C415-V420 HydrophobicContact CB-CB 4.27Å; C415-V420 PolarHBondContact O-N 2.9Å; C415-V422 HydrophobicContact CB-CG2 4.11Å
416	D	98.9	Very high	98.8	Very high	2 Å²	2	16.4 Å²	16.4	1%	0.011	8%	0.083	C	C	.	.	H	α-helix	trans	-62.7	-43.7	175.5	-66.2	-17.8	0	0	0	111.7	W301 F333 Y412 I414 H457 P458 S459	W301-D416 PolarHBondContact NE1-O 2.89Å; F333-D416 HydrophobicContact CE1-CB 4.48Å; F333-D416 HydrophobicContact CE2-CB 4.24Å; F333-D416 HydrophobicContact CZ-CB 3.99Å; Y412-D416 WeakPolarHBondContact O-CB 3.49Å; Y412-D416 PolarHBondContact O-N 3.21Å; I414-D416 VanDerWaalsContact C-N 3.33Å; I414-D416 PolarHBondContact O-N 3.3Å; D416-H457 IonicContact OD1-ND1 3.35Å; D416-H457 IonicContact OD2-CE1 2.88Å; D416-H457 IonicContact OD2-CG 3.54Å; D416-H457 IonicContact OD2-ND1 2.63Å; D416-H457 PolarHBondContact OD2-ND1 2.97Å; D416-P458 HydrophobicContact CB-CG 4.07Å; D416-P458 VanDerWaalsContact CG-CD 3.42Å; D416-P458 VanDerWaalsContact OD1-CD 3.23Å; D416-P458 WeakPolarHBondContact OD1-CD 3.46Å; D416-P458 WeakPolarHBondContact OD1-CG 3.44Å; D416-P458 WeakPolarHBondContact OD2-CD 3.29Å; D416-S459 WeakPolarHBondContact OD1-CB 3.13Å; D416-S459 PolarHBondContact OD1-N 3.15Å; D416-S459 PolarHBondContact OD1-OG 2.6Å
417	E	98.7	Very high	98.8	Very high	74 Å²	74	16.4 Å²	16.4	35%	0.346	8%	0.083	S	C	.	.	H	α-helix	trans	-66.1	-41.4	178.7	-75.3	169.6	-167.3	0	0	112.8	R331 R384 D413 I414	R331-E417 IonicContact CZ-OE1 2.76Å; R331-E417 IonicContact NH1-OE1 2.68Å; R331-E417 PolarHBondContact NH1-OE1 3.14Å; R331-E417 IonicContact NH2-OE1 3.86Å; R331-E417 PolarHBondContact NH2-OE1 3.15Å; R384-E417 IonicContact CZ-OE2 3.75Å; R384-E417 IonicContact NH1-OE2 3.95Å; R384-E417 IonicContact NH2-OE2 3.2Å; R384-E417 PolarHBondContact NH2-OE2 3.23Å; D413-E417 WeakPolarHBondContact O-CB 3.49Å; D413-E417 VanDerWaalsContact O-CG 3.25Å; D413-E417 WeakPolarHBondContact O-CG 3.47Å; D413-E417 PolarHBondContact O-N 2.92Å; I414-E417 PolarHBondContact O-N 3.14Å
418	L	98.8	Very high	98.8	Very high	27 Å²	27	16.3 Å²	16.3	14%	0.141	8%	0.083	C	C	.	.	H	α-helix	trans	-87.5	-7.5	-175.6	-68.1	-176.2	0	0	0	113.7	S304 L387 V391 I414 C415 V420	S304-L418 WeakPolarHBondContact CB-O 3.47Å; L387-L418 HydrophobicContact CB-CD1 4.1Å; V391-L418 HydrophobicContact CG2-CB 3.96Å; V391-L418 HydrophobicContact CG2-CD1 4.03Å; V391-L418 HydrophobicContact CG2-CG 4.46Å; I414-L418 HydrophobicContact CG2-CD1 3.48Å; I414-L418 VanDerWaalsContact CG2-CD1 3.48Å; I414-L418 HydrophobicContact CG2-CG 3.94Å; I414-L418 VanDerWaalsContact O-CB 3.3Å; I414-L418 WeakPolarHBondContact O-CB 3.41Å; I414-L418 WeakPolarHBondContact O-CG 3.45Å; I414-L418 PolarHBondContact O-N 3.32Å; C415-L418 PolarHBondContact O-N 2.86Å; L418-V420 HydrophobicContact CB-CG2 4.07Å
419	G	98.8	Very high	98.8	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.4	22.8	-177.2	0	0	0	0	0	113.6	P303 S304 C415	P303-G419 CarbonylContact C-O 3.59Å; P303-G419 WeakPolarHBondContact CA-O 3.48Å; S304-G419 PolarHBondContact N-O 3.28Å; C415-G419 PolarHBondContact O-N 3.38Å
420	V	98.9	Very high	98.8	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.058	C	C	.	.			trans	-86.9	113.8	179.8	-179.1	0	0	0	0	108.9	V391 L398 C415 L418 S459	V391-V420 HydrophobicContact CG2-CG2 3.71Å; L398-V420 HydrophobicContact CB-CG1 4.23Å; L398-V420 HydrophobicContact CD1-CG1 3.99Å; L398-V420 HydrophobicContact CG-CG1 3.81Å; C415-V420 HydrophobicContact CB-CB 4.27Å; C415-V420 PolarHBondContact O-N 2.9Å; L418-V420 HydrophobicContact CB-CG2 4.07Å; V420-S459 WeakPolarHBondContact O-CB 3.31Å
421	M	98.9	Very high	98.8	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	148.9	173.9	-63	-179.3	-69.2	0	0	110.7	W301 P303 I356 V361 L363 N396 A397 L398 S459 I461	W301-M421 HydrophobicContact CH2-CG 4.07Å; W301-M421 HydrophobicContact CZ3-CG 4.39Å; P303-M421 HydrophobicContact CB-CE 4Å; P303-M421 HydrophobicContact CB-CG 3.96Å; P303-M421 HydrophobicContact CB-SD 3.99Å; P303-M421 HydrophobicContact CG-CE 4Å; P303-M421 HydrophobicContact CG-CG 3.81Å; P303-M421 HydrophobicContact CG-SD 3.45Å; P303-M421 WeakPolarHBondContact CG-SD 3.41Å; I356-M421 HydrophobicContact CD1-SD 3.99Å; I356-M421 HydrophobicContact CG1-SD 3.9Å; V361-M421 HydrophobicContact CG1-CE 3.94Å; L363-M421 HydrophobicContact CD1-CE 4Å; L363-M421 HydrophobicContact CG-CE 3.98Å; N396-M421 HydrophobicContact CB-CE 4.25Å; N396-M421 WeakPolarHBondContact O-CB 3.46Å; N396-M421 WeakPolarHBondContact O-CE 3.38Å; N396-M421 PolarHBondContact O-N 2.76Å; A397-M421 CarbonylContact C-O 3.6Å; A397-M421 VanDerWaalsContact CA-O 3.24Å; A397-M421 WeakPolarHBondContact CA-O 3.5Å; A397-M421 HydrophobicContact CB-CB 4.18Å; A397-M421 HydrophobicContact CB-CE 4.27Å; L398-M421 PolarHBondContact N-O 2.8Å; M421-S459 CarbonylContact C-O 3.58Å; M421-S459 VanDerWaalsContact CA-O 3.25Å; M421-S459 WeakPolarHBondContact CA-O 3.49Å; M421-I461 HydrophobicContact CB-CD1 3.99Å; M421-I461 HydrophobicContact CB-CG1 4.19Å; M421-I461 HydrophobicContact CB-CG2 3.9Å; M421-I461 HydrophobicContact CG-CG2 3.83Å; M421-I461 HydrophobicContact SD-CD1 4.15Å; M421-I461 HydrophobicContact SD-CG2 3.88Å
422	V	99	Very high	98.8	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	119.4	-178.4	174.3	0	0	0	0	109.9	L398 V400 F411 Y412 C415 Q424 S459 I460 I461	L398-V422 CarbonylContact O-C 3.54Å; L398-V422 VanDerWaalsContact O-CA 3.3Å; L398-V422 WeakPolarHBondContact O-CA 3.37Å; V400-V422 HydrophobicContact CB-CG1 4.48Å; V400-V422 HydrophobicContact CG2-CG1 3.79Å; F411-V422 HydrophobicContact CE1-CG2 4.09Å; Y412-V422 HydrophobicContact CE1-CG1 4.35Å; C415-V422 HydrophobicContact CB-CG2 4.11Å; V422-Q424 HydrophobicContact CG1-CB 4.19Å; V422-S459 PolarHBondContact N-O 3.25Å; V422-I460 HydrophobicContact CB-CG1 4.16Å; V422-I460 HydrophobicContact CG1-CG1 4.23Å; V422-I460 CarbonylContact O-C 3.44Å; V422-I460 WeakPolarHBondContact O-CA 3.25Å; V422-I461 WeakPolarHBondContact O-CG1 3.37Å; V422-I461 PolarHBondContact O-N 3.21Å
423	W	98.9	Very high	98.8	Very high	2 Å²	2	9.7 Å²	9.7	1%	0.008	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	112.4	159.8	179.4	-49.7	0	0	0	107.3	F352 F354 L398 R399 V400 D425 I462 L514 S517 D541 F562 L666	F352-W423 HydrophobicContact CE1-CH2 4.13Å; F352-W423 HydrophobicContact CE1-CZ3 4.14Å; F352-W423 HydrophobicContact CZ-CH2 4.03Å; F352-W423 HydrophobicContact CZ-CZ3 4.42Å; F354-W423 HydrophobicContact CE2-CZ3 4.49Å; L398-W423 PolarHBondContact O-N 2.75Å; R399-W423 CarbonylContact C-O 3.54Å; R399-W423 WeakPolarHBondContact CA-O 3.22Å; R399-W423 HydrophobicContact CB-CB 3.94Å; R399-W423 HydrophobicContact CB-CG 4.25Å; R399-W423 HydrophobicContact CG-CB 4.11Å; R399-W423 HydrophobicContact CG-CG 3.95Å; V400-W423 PolarHBondContact N-O 3.37Å; W423-D425 VanDerWaalsContact CD1-OD1 3.27Å; W423-D425 PolarHBondContact NE1-OD1 3.45Å; W423-I462 HydrophobicContact CB-CG2 3.84Å; W423-I462 HydrophobicContact CD2-CG2 3.62Å; W423-I462 HydrophobicContact CE3-CG2 4Å; W423-I462 HydrophobicContact CG-CG2 3.54Å; W423-L514 HydrophobicContact CH2-CD1 3.66Å; W423-L514 HydrophobicContact CZ2-CD1 3.48Å; W423-L514 VanDerWaalsContact CZ2-CD1 3.48Å; W423-S517 WeakPolarHBondContact CZ2-OG 2.84Å; W423-D541 HydrophobicContact CH2-CB 4.17Å; W423-F562 HydrophobicContact CE3-CE1 4.46Å; W423-F562 HydrophobicContact CE3-CZ 4.49Å; W423-F562 HydrophobicContact CZ3-CD1 4.32Å; W423-F562 AromaticContact CZ3-CE1 3.89Å; W423-F562 HydrophobicContact CZ3-CE1 3.89Å; W423-F562 HydrophobicContact CZ3-CZ 4.14Å; W423-L666 HydrophobicContact CE3-CD1 4.49Å
424	Q	98.9	Very high	98.8	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	107.1	-173.2	-176.1	60.4	66.4	0	0	110.8	Y412 V422 I460 I462 W463 S464	Y412-Q424 VanDerWaalsContact CE1-OE1 3.27Å; Y412-Q424 PolarHBondContact OH-OE1 3.26Å; V422-Q424 HydrophobicContact CG1-CB 4.19Å; Q424-I460 HydrophobicContact CB-CG2 4.01Å; Q424-I462 PolarHBondContact N-O 3.24Å; Q424-W463 HydrophobicContact CB-CE3 4.01Å; Q424-W463 HydrophobicContact CB-CZ3 4.04Å; Q424-W463 HydrophobicContact CG-CE3 3.84Å; Q424-W463 HydrophobicContact CG-CZ3 3.52Å; Q424-W463 WeakPolarHBondContact O-CA 3.23Å; Q424-S464 PolarHBondContact O-N 2.93Å
425	D	98.9	Very high	98.7	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	152.9	167.1	-68.5	-3	0	0	0	110.6	R399 V400 G402 W423 M427 S464	R399-D425 IonicContact CZ-OD1 2.81Å; R399-D425 IonicContact CZ-OD2 2.67Å; R399-D425 VanDerWaalsContact CZ-OD2 3.24Å; R399-D425 IonicContact NE-OD1 2.75Å; R399-D425 PolarHBondContact NE-OD1 3.28Å; R399-D425 IonicContact NE-OD2 3.35Å; R399-D425 PolarHBondContact NE-OD2 3.2Å; R399-D425 IonicContact NH2-OD1 3.7Å; R399-D425 IonicContact NH2-OD2 3.11Å; R399-D425 PolarHBondContact NH2-OD2 2.91Å; V400-D425 WeakPolarHBondContact O-CB 3.22Å; V400-D425 PolarHBondContact O-N 3.36Å; G402-D425 VanDerWaalsContact CA-CB 3.49Å; G402-D425 PolarHBondContact N-OD2 2.92Å; W423-D425 VanDerWaalsContact CD1-OD1 3.27Å; W423-D425 PolarHBondContact NE1-OD1 3.45Å; D425-M427 WeakPolarHBondContact O-CE 3.34Å; D425-S464 CarbonylContact C-O 3.5Å; D425-S464 VanDerWaalsContact CA-O 3.25Å; D425-S464 WeakPolarHBondContact CA-O 3.35Å; D425-S464 WeakPolarHBondContact OD1-CB 3.41Å; D425-S464 PolarHBondContact OD1-OG 2.92Å; D425-S464 VanDerWaalsContact OD1-OG 3.14Å
426	F	98.9	Very high	98.6	Very high	1 Å²	1	11.1 Å²	11.1	0%	0.004	6%	0.058	C	C	.	.			trans	-78.4	156.2	157	-72.8	-88.2	0	0	0	109.7	G402 Y406 F428 V447 V451 W463 S464 I500 V504 F513	G402-F426 VanDerWaalsContact CA-O 3.31Å; G402-F426 WeakPolarHBondContact CA-O 3.5Å; Y406-F426 AromaticContact CE1-CD1 3.87Å; Y406-F426 HydrophobicContact CE1-CD1 3.87Å; Y406-F426 HydrophobicContact CE1-CE1 4.37Å; Y406-F426 AromaticContact CZ-CD1 3.99Å; Y406-F426 VanDerWaalsContact OH-CD1 3.29Å; Y406-F426 WeakPolarHBondContact OH-CD1 3.2Å; F426-F428 HydrophobicContact CB-CD2 3.93Å; F426-F428 HydrophobicContact CB-CE2 4.21Å; F426-F428 PolarHBondContact O-N 3.13Å; F426-V447 HydrophobicContact CD1-CG1 4.38Å; F426-V447 HydrophobicContact CD1-CG2 3.95Å; F426-V447 HydrophobicContact CE1-CB 4.17Å; F426-V447 HydrophobicContact CE1-CG1 3.65Å; F426-V447 HydrophobicContact CE1-CG2 4.02Å; F426-V447 HydrophobicContact CZ-CG1 4.05Å; F426-V451 HydrophobicContact CE1-CG2 4.02Å; F426-V451 HydrophobicContact CZ-CG2 3.7Å; F426-W463 HydrophobicContact CE2-CB 4.19Å; F426-W463 HydrophobicContact CE2-CE3 4.05Å; F426-W463 AromaticContact CZ-CE3 3.97Å; F426-W463 HydrophobicContact CZ-CE3 3.97Å; F426-W463 HydrophobicContact CZ-CZ3 4.48Å; F426-S464 WeakPolarHBondContact CD2-O 3.23Å; F426-S464 PolarHBondContact N-O 2.87Å; F426-I500 HydrophobicContact CD1-CG2 4.17Å; F426-I500 HydrophobicContact CD2-CG2 3.59Å; F426-I500 HydrophobicContact CE1-CG2 4.26Å; F426-I500 HydrophobicContact CE2-CG2 3.64Å; F426-I500 HydrophobicContact CG-CG2 3.89Å; F426-I500 HydrophobicContact CZ-CG2 4.01Å; F426-V504 HydrophobicContact CE2-CG2 3.69Å; F426-V504 HydrophobicContact CZ-CG2 3.47Å; F426-V504 VanDerWaalsContact CZ-CG2 3.47Å; F426-F513 HydrophobicContact CE2-CE2 4.18Å
427	M	98.9	Very high	98.6	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.095	C	C	.	.	S	Bend	trans	-78.6	60.8	-167.5	-62.7	-58.5	121	0	0	113.6	F133 R193 V400 G402 V405 Y406 D425	F133-M427 HydrophobicContact CD2-CB 4.22Å; F133-M427 HydrophobicContact CD2-CG 4.47Å; F133-M427 HydrophobicContact CE1-CG 4.17Å; F133-M427 HydrophobicContact CE2-CB 3.58Å; F133-M427 HydrophobicContact CE2-CG 4Å; F133-M427 HydrophobicContact CZ-CB 3.79Å; F133-M427 HydrophobicContact CZ-CG 3.81Å; R193-M427 VanDerWaalsContact CZ-O 3.31Å; R193-M427 PolarHBondContact NH1-O 3.26Å; R193-M427 PolarHBondContact NH2-O 2.91Å; V400-M427 HydrophobicContact CG1-CE 4.33Å; G402-M427 CarbonylContact O-C 3.47Å; G402-M427 WeakPolarHBondContact O-CA 3.33Å; V405-M427 WeakPolarHBondContact CA-SD 3.31Å; V405-M427 PolarHBondContact N-SD 3.02Å; V405-M427 VanDerWaalsContact N-SD 3.43Å; Y406-M427 HydrophobicContact CD1-CE 4Å; Y406-M427 HydrophobicContact CD1-CG 4.25Å; Y406-M427 HydrophobicContact CD2-CG 3.62Å; Y406-M427 HydrophobicContact CE1-CE 4.17Å; Y406-M427 HydrophobicContact CE1-CG 4.04Å; Y406-M427 HydrophobicContact CE2-CB 3.98Å; Y406-M427 HydrophobicContact CE2-CG 3.37Å; Y406-M427 HydrophobicContact CG-CE 4.34Å; Y406-M427 HydrophobicContact CG-CG 4.05Å; Y406-M427 PolarHBondContact OH-N 3.27Å; D425-M427 WeakPolarHBondContact O-CE 3.34Å
428	F	98.9	Very high	98.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.098	C	C	.	.			trans	-135.4	124.4	175.9	-57.2	-89.8	0	0	0	109.2	R193 G402 F426 Y433 F439 V443 N466 N467 L495 Y496 I500	R193-F428 VanDerWaalsContact CZ-CE1 3.5Å; R193-F428 VanDerWaalsContact CZ-CZ 3.45Å; R193-F428 VanDerWaalsContact NH1-CE1 3.29Å; G402-F428 CarbonylContact O-C 3.56Å; G402-F428 PolarHBondContact O-N 2.88Å; F426-F428 HydrophobicContact CB-CD2 3.93Å; F426-F428 HydrophobicContact CB-CE2 4.21Å; F426-F428 PolarHBondContact O-N 3.13Å; F428-Y433 WeakPolarHBondContact CA-OH 3.4Å; F428-Y433 HydrophobicContact CB-CD2 4.37Å; F428-Y433 HydrophobicContact CB-CE2 3.77Å; F428-Y433 AromaticContact CD1-CD1 3.6Å; F428-Y433 HydrophobicContact CD1-CD1 3.6Å; F428-Y433 AromaticContact CD1-CD2 3.79Å; F428-Y433 HydrophobicContact CD1-CD2 3.79Å; F428-Y433 AromaticContact CD1-CE1 3.58Å; F428-Y433 HydrophobicContact CD1-CE1 3.58Å; F428-Y433 AromaticContact CD1-CE2 3.81Å; F428-Y433 HydrophobicContact CD1-CE2 3.81Å; F428-Y433 AromaticContact CD1-CG 3.7Å; F428-Y433 HydrophobicContact CD1-CG 3.7Å; F428-Y433 AromaticContact CD1-CZ 3.71Å; F428-Y433 AromaticContact CE1-CD1 3.99Å; F428-Y433 HydrophobicContact CE1-CD1 3.99Å; F428-Y433 HydrophobicContact CE1-CE1 4.26Å; F428-Y433 HydrophobicContact CE1-CG 4.21Å; F428-Y433 HydrophobicContact CG-CE2 4.3Å; F428-F439 HydrophobicContact CE1-CE1 4.42Å; F428-F439 HydrophobicContact CE1-CZ 4.4Å; F428-V443 HydrophobicContact CE1-CG2 4.27Å; F428-V443 HydrophobicContact CE2-CG1 4.38Å; F428-V443 HydrophobicContact CZ-CB 4.48Å; F428-V443 HydrophobicContact CZ-CG1 3.78Å; F428-V443 HydrophobicContact CZ-CG2 3.81Å; F428-N466 HydrophobicContact CB-CB 3.87Å; F428-N466 CarbonylContact O-C 3.59Å; F428-N466 VanDerWaalsContact O-CA 3.26Å; F428-N466 WeakPolarHBondContact O-CA 3.27Å; F428-N466 WeakPolarHBondContact O-CB 3.33Å; F428-N467 PolarHBondContact O-N 3.22Å; F428-L495 HydrophobicContact CD1-CD2 4.07Å; F428-L495 HydrophobicContact CE1-CD1 4.26Å; F428-L495 HydrophobicContact CE1-CD2 3.92Å; F428-L495 HydrophobicContact CZ-CD1 4.18Å; F428-Y496 HydrophobicContact CB-CE1 3.95Å; F428-Y496 HydrophobicContact CD1-CE1 4.41Å; F428-Y496 HydrophobicContact CD2-CE1 4.16Å; F428-Y496 AromaticContact CG-CE1 3.92Å; F428-Y496 HydrophobicContact CG-CE1 3.92Å; F428-I500 HydrophobicContact CD2-CD1 4.01Å; F428-I500 HydrophobicContact CE2-CD1 3.53Å; F428-I500 HydrophobicContact CZ-CD1 4.17Å
429	A	98.8	Very high	98.5	Very high	2 Å²	2	17.2 Å²	17.2	2%	0.017	9%	0.093	C	C	.	.	B	Isolated β-bridge	trans	-146.3	140.4	-179.2	0	0	0	0	0	113.3	W201 W401 A431 Y433 N467	W201-A429 HydrophobicContact CH2-CB 4.12Å; W401-A429 HydrophobicContact CH2-CB 4.16Å; W401-A429 HydrophobicContact CZ2-CB 3.57Å; A429-A431 PolarHBondContact O-N 3.09Å; A429-Y433 PolarHBondContact N-OH 3.42Å; A429-Y433 PolarHBondContact O-OH 3.29Å; A429-N467 WeakPolarHBondContact CA-O 3.43Å; A429-N467 HydrophobicContact CB-CB 3.77Å
430	C	98.3	Very high	98.5	Very high	22 Å²	22	17.9 Å²	17.9	15%	0.149	10%	0.096	C	C	.	.	S	Bend	trans	41.4	38.3	171.4	-45.7	0	0	0	0	115.4	W201 N467 E468 N469 W477 F478	W201-C430 HydrophobicContact CH2-CB 3.78Å; W201-C430 HydrophobicContact CZ2-CB 3.92Å; C430-N467 PolarHBondContact N-O 3.18Å; C430-N467 PolarHBondContact SG-ND2 3.1Å; C430-E468 PolarHBondContact SG-OE2 2.85Å; C430-N469 VanDerWaalsContact CA-OD1 3.3Å; C430-N469 WeakPolarHBondContact CA-OD1 3.21Å; C430-N469 PolarHBondContact N-OD1 3.42Å; C430-W477 HydrophobicContact CB-CZ3 4.44Å; C430-F478 WeakPolarHBondContact O-CZ 3.46Å
431	A	98.7	Very high	98.5	Very high	5 Å²	5	21.4 Å²	21.4	4%	0.041	11%	0.112	C	C	.	.	S	Bend	trans	-153.5	152	-177.7	0	0	0	0	0	111.1	N190 A429 Y433 N469	N190-A431 HydrophobicContact CB-CB 4.04Å; A429-A431 PolarHBondContact O-N 3.09Å; A431-Y433 HydrophobicContact CB-CD2 4.5Å; A431-Y433 HydrophobicContact CB-CE2 3.8Å; A431-Y433 VanDerWaalsContact O-CD2 3.26Å; A431-Y433 WeakPolarHBondContact O-CD2 3.29Å; A431-Y433 WeakPolarHBondContact O-CE2 3.25Å; A431-N469 PolarHBondContact N-OD1 2.79Å; A431-N469 PolarHBondContact O-ND2 3.45Å; A431-N469 VanDerWaalsContact O-ND2 3.16Å; A431-N469 PolarHBondContact O-OD1 2.97Å
432	M	98.7	Very high	98.4	Very high	9 Å²	9	21.8 Å²	21.8	4%	0.044	12%	0.115	C	C	.	.			trans	-79.4	151.5	159.4	-56.6	-65.3	88.3	0	0	108.6	V174 P175 N190 N469 L473 F478 I480 Y488	V174-M432 VanDerWaalsContact CG1-C 3.44Å; V174-M432 HydrophobicContact CG1-CB 3.85Å; V174-M432 VanDerWaalsContact CG1-O 3.24Å; V174-M432 WeakPolarHBondContact CG1-O 2.95Å; P175-M432 HydrophobicContact CG-CB 4.42Å; P175-M432 HydrophobicContact CG-CG 4.02Å; P175-M432 WeakPolarHBondContact O-CB 3.48Å; P175-M432 PolarHBondContact O-N 2.98Å; N190-M432 WeakPolarHBondContact CB-O 3.48Å; N190-M432 PolarHBondContact ND2-O 3.07Å; M432-N469 HydrophobicContact CE-CB 3.88Å; M432-L473 HydrophobicContact CE-CB 4.44Å; M432-L473 HydrophobicContact SD-CB 4.39Å; M432-L473 HydrophobicContact SD-CD1 4.36Å; M432-F478 HydrophobicContact CE-CE2 4.14Å; M432-F478 HydrophobicContact CG-CD2 4.09Å; M432-F478 HydrophobicContact CG-CE2 4.16Å; M432-I480 HydrophobicContact CG-CD1 4.46Å; M432-Y488 HydrophobicContact CB-CD1 4.14Å; M432-Y488 HydrophobicContact CB-CE1 4.35Å; M432-Y488 HydrophobicContact CG-CD1 3.84Å; M432-Y488 HydrophobicContact CG-CE1 4.22Å; M432-Y488 HydrophobicContact SD-CD1 4.27Å
433	Y	98.8	Very high	98.4	Very high	8 Å²	8	21.8 Å²	21.8	3%	0.031	12%	0.115	C	C	.	.			trans	-126.6	147.8	-178.7	-68.7	-94.7	0	0	0	109.5	N190 Q196 F428 A429 A431 F439 L495 Y496	N190-Y433 HydrophobicContact CB-CD1 3.98Å; N190-Y433 HydrophobicContact CB-CE1 3.93Å; N190-Y433 WeakPolarHBondContact O-CD1 3.44Å; Q196-Y433 PolarHBondContact OE1-OH 3.49Å; F428-Y433 WeakPolarHBondContact CA-OH 3.4Å; F428-Y433 HydrophobicContact CB-CD2 4.37Å; F428-Y433 HydrophobicContact CB-CE2 3.77Å; F428-Y433 AromaticContact CD1-CD1 3.6Å; F428-Y433 HydrophobicContact CD1-CD1 3.6Å; F428-Y433 AromaticContact CD1-CD2 3.79Å; F428-Y433 HydrophobicContact CD1-CD2 3.79Å; F428-Y433 AromaticContact CD1-CE1 3.58Å; F428-Y433 HydrophobicContact CD1-CE1 3.58Å; F428-Y433 AromaticContact CD1-CE2 3.81Å; F428-Y433 HydrophobicContact CD1-CE2 3.81Å; F428-Y433 AromaticContact CD1-CG 3.7Å; F428-Y433 HydrophobicContact CD1-CG 3.7Å; F428-Y433 AromaticContact CD1-CZ 3.71Å; F428-Y433 AromaticContact CE1-CD1 3.99Å; F428-Y433 HydrophobicContact CE1-CD1 3.99Å; F428-Y433 HydrophobicContact CE1-CE1 4.26Å; F428-Y433 HydrophobicContact CE1-CG 4.21Å; F428-Y433 HydrophobicContact CG-CE2 4.3Å; A429-Y433 PolarHBondContact N-OH 3.42Å; A429-Y433 PolarHBondContact O-OH 3.29Å; A431-Y433 HydrophobicContact CB-CD2 4.5Å; A431-Y433 HydrophobicContact CB-CE2 3.8Å; A431-Y433 VanDerWaalsContact O-CD2 3.26Å; A431-Y433 WeakPolarHBondContact O-CD2 3.29Å; A431-Y433 WeakPolarHBondContact O-CE2 3.25Å; Y433-F439 AromaticContact CD1-CZ 4Å; Y433-F439 HydrophobicContact CD1-CZ 4Å; Y433-L495 HydrophobicContact CD2-CD2 4.4Å; Y433-L495 HydrophobicContact CG-CD2 4.16Å; Y433-Y496 WeakPolarHBondContact CD2-OH 3.33Å
434	P	98	Very high	98.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.131	C	C	.	.			trans	-76.5	162.4	-177.2	39.2	-41.2	0	0	0	110.4	V174 N190 F191 E436 F439	V174-P434 HydrophobicContact CG2-CB 4.29Å; N190-P434 WeakPolarHBondContact O-CD 3.27Å; F191-P434 HydrophobicContact CD1-CB 4.35Å; F191-P434 HydrophobicContact CD1-CG 3.9Å; F191-P434 HydrophobicContact CE1-CB 3.87Å; F191-P434 HydrophobicContact CE1-CG 3.93Å; F191-P434 HydrophobicContact CZ-CB 4.42Å; P434-E436 VanDerWaalsContact CB-OE2 3.24Å; P434-E436 WeakPolarHBondContact CB-OE2 3.35Å; P434-F439 HydrophobicContact CG-CD1 4.15Å; P434-F439 HydrophobicContact CG-CD2 3.86Å; P434-F439 HydrophobicContact CG-CE1 4.31Å; P434-F439 HydrophobicContact CG-CE2 4.03Å; P434-F439 HydrophobicContact CG-CG 3.92Å; P434-F439 HydrophobicContact CG-CZ 4.25Å; P434-F439 WeakPolarHBondContact O-CD1 3.45Å; P434-F439 WeakPolarHBondContact O-CE1 3.48Å
435	T	97.9	Very high	98.4	Very high	28 Å²	28	29.2 Å²	29.2	17%	0.172	15%	0.146	C	C	.	.			trans	-128.3	23.2	-172.6	57.9	0	0	0	0	113.3	I440 D491 T494	T435-I440 HydrophobicContact CG2-CD1 4.24Å; T435-D491 HydrophobicContact CG2-CB 3.58Å; T435-D491 PolarHBondContact OG1-OD1 3.12Å; T435-T494 HydrophobicContact CG2-CG2 4.43Å
436	E	96.7	Very high	98.4	Very high	54 Å²	54	29.2 Å²	29.2	25%	0.252	15%	0.146	S	C	.	.			trans	-62.4	152.6	172.2	-48.7	89.4	167	0	0	110.9	H169 P434 D438 F439 I440	H169-E436 IonicContact CE1-OE1 3.75Å; H169-E436 IonicContact CG-OE1 3.68Å; H169-E436 IonicContact ND1-OE1 3.98Å; H169-E436 PolarHBondContact ND1-OE1 2.64Å; P434-E436 VanDerWaalsContact CB-OE2 3.24Å; P434-E436 WeakPolarHBondContact CB-OE2 3.35Å; E436-D438 WeakPolarHBondContact CB-OD1 3.42Å; E436-D438 PolarHBondContact O-N 2.76Å; E436-D438 VanDerWaalsContact O-N 3.14Å; E436-F439 PolarHBondContact O-N 3.11Å; E436-F439 VanDerWaalsContact O-N 3.1Å; E436-I440 WeakPolarHBondContact O-CG1 3.49Å; E436-I440 PolarHBondContact O-N 2.83Å
437	D	97.4	Very high	98.4	Very high	146 Å²	146	29.2 Å²	29.2	78%	0.781	15%	0.145	S	C	*	.	H	α-helix	trans	-56.4	-36.2	-172.3	-71.4	-25.3	0	0	0	112.9	Q441	D437-Q441 WeakPolarHBondContact O-CB 3.35Å; D437-Q441 PolarHBondContact O-N 3.4Å
438	D	97.2	Very high	98.4	Very high	78 Å²	78	31.1 Å²	31.1	42%	0.417	16%	0.157	S	C	.	.	H	α-helix	trans	-72.3	-41.3	179.2	67.9	-25	0	0	0	112.5	R165 E436 Q441 T442	R165-D438 IonicContact CZ-OD1 2.67Å; R165-D438 IonicContact CZ-OD2 2.92Å; R165-D438 VanDerWaalsContact CZ-OD2 3.31Å; R165-D438 IonicContact NH1-OD1 2.82Å; R165-D438 IonicContact NH1-OD2 3.32Å; R165-D438 PolarHBondContact NH1-OD2 2.91Å; R165-D438 IonicContact NH2-OD1 2.66Å; R165-D438 PolarHBondContact NH2-OD1 2.8Å; R165-D438 IonicContact NH2-OD2 3.86Å; R165-D438 PolarHBondContact NH2-OD2 2.89Å; R165-D438 VanDerWaalsContact NH2-OD2 3.13Å; E436-D438 WeakPolarHBondContact CB-OD1 3.42Å; E436-D438 PolarHBondContact O-N 2.76Å; E436-D438 VanDerWaalsContact O-N 3.14Å; D438-Q441 PolarHBondContact O-N 2.95Å; D438-T442 PolarHBondContact O-N 3.47Å
439	F	98.4	Very high	98.4	Very high	7 Å²	7	34 Å²	34	3%	0.031	17%	0.171	C	C	.	.	H	α-helix	trans	-62.1	-48.2	173.1	-171.9	-90.7	0	0	0	111.1	R193 F428 Y433 P434 E436 Q441 T442 V443	R193-F439 HydrophobicContact CG-CE2 4.09Å; R193-F439 HydrophobicContact CG-CZ 4.38Å; F428-F439 HydrophobicContact CE1-CE1 4.42Å; F428-F439 HydrophobicContact CE1-CZ 4.4Å; Y433-F439 AromaticContact CD1-CZ 4Å; Y433-F439 HydrophobicContact CD1-CZ 4Å; P434-F439 HydrophobicContact CG-CD1 4.15Å; P434-F439 HydrophobicContact CG-CD2 3.86Å; P434-F439 HydrophobicContact CG-CE1 4.31Å; P434-F439 HydrophobicContact CG-CE2 4.03Å; P434-F439 HydrophobicContact CG-CG 3.92Å; P434-F439 HydrophobicContact CG-CZ 4.25Å; P434-F439 WeakPolarHBondContact O-CD1 3.45Å; P434-F439 WeakPolarHBondContact O-CE1 3.48Å; E436-F439 PolarHBondContact O-N 3.11Å; E436-F439 VanDerWaalsContact O-N 3.1Å; F439-Q441 VanDerWaalsContact C-N 3.28Å; F439-Q441 PolarHBondContact O-N 2.78Å; F439-T442 VanDerWaalsContact O-CG2 3.31Å; F439-T442 WeakPolarHBondContact O-CG2 3.44Å; F439-T442 PolarHBondContact O-N 3.14Å; F439-V443 HydrophobicContact CD1-CG2 4.05Å; F439-V443 HydrophobicContact CE1-CG2 3.75Å; F439-V443 HydrophobicContact CZ-CG2 4.21Å; F439-V443 WeakPolarHBondContact O-CG2 3.43Å; F439-V443 PolarHBondContact O-N 2.91Å
440	I	98.6	Very high	98.4	Very high	13 Å²	13	34.4 Å²	34.4	7%	0.067	17%	0.172	C	C	.	.	H	α-helix	trans	-62.9	-35	177.7	-68.1	-63.4	0	0	0	111.7	T435 E436 R444 T494 L495 N499	T435-I440 HydrophobicContact CG2-CD1 4.24Å; E436-I440 WeakPolarHBondContact O-CG1 3.49Å; E436-I440 PolarHBondContact O-N 2.83Å; I440-R444 WeakPolarHBondContact O-CB 3.43Å; I440-R444 PolarHBondContact O-N 2.93Å; I440-T494 HydrophobicContact CD1-CG2 4.34Å; I440-L495 HydrophobicContact CD1-CB 4.5Å; I440-L495 HydrophobicContact CD1-CD1 4.05Å; I440-N499 VanDerWaalsContact CG2-ND2 3.26Å; I440-N499 WeakPolarHBondContact CG2-ND2 3.42Å; I440-N499 PolarHBondContact O-ND2 2.84Å
441	Q	98.6	Very high	98.4	Very high	74 Å²	74	33.4 Å²	33.4	35%	0.346	17%	0.165	S	C	.	.	H	α-helix	trans	-69.6	-45	176.8	-178	59.7	26	0	0	112	D437 D438 F439 V443 R444 E445	D437-Q441 WeakPolarHBondContact O-CB 3.35Å; D437-Q441 PolarHBondContact O-N 3.4Å; D438-Q441 PolarHBondContact O-N 2.95Å; F439-Q441 VanDerWaalsContact C-N 3.28Å; F439-Q441 PolarHBondContact O-N 2.78Å; Q441-V443 VanDerWaalsContact C-N 3.31Å; Q441-V443 PolarHBondContact O-N 3.29Å; Q441-R444 WeakPolarHBondContact O-CB 3.29Å; Q441-R444 PolarHBondContact O-N 3.21Å; Q441-E445 PolarHBondContact NE2-OE1 2.87Å; Q441-E445 PolarHBondContact O-N 3.03Å; Q441-E445 VanDerWaalsContact O-N 3.1Å
442	T	98.5	Very high	98.3	Very high	8 Å²	8	34 Å²	34	5%	0.049	17%	0.167	C	C	.	.	H	α-helix	trans	-67.2	-35	178.2	-163.1	0	0	0	0	111.6	D130 N131 R134 R193 D438 F439 E445 E446	D130-T442 PolarHBondContact OD1-OG1 3.48Å; N131-T442 WeakPolarHBondContact CB-OG1 3.44Å; N131-T442 PolarHBondContact ND2-O 2.95Å; N131-T442 PolarHBondContact ND2-OG1 2.78Å; R134-T442 PolarHBondContact NH1-OG1 2.66Å; R193-T442 HydrophobicContact CG-CG2 3.96Å; D438-T442 PolarHBondContact O-N 3.47Å; F439-T442 VanDerWaalsContact O-CG2 3.31Å; F439-T442 WeakPolarHBondContact O-CG2 3.44Å; F439-T442 PolarHBondContact O-N 3.14Å; T442-E445 PolarHBondContact O-N 3.06Å; T442-E446 WeakPolarHBondContact O-CB 3.37Å; T442-E446 PolarHBondContact O-N 3.2Å
443	V	98.9	Very high	98.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63.9	-42.7	171.5	170.6	0	0	0	0	111.6	R193 F428 F439 Q441 E445 E446 V447 L495 I500	R193-V443 HydrophobicContact CG-CG2 4.23Å; F428-V443 HydrophobicContact CE1-CG2 4.27Å; F428-V443 HydrophobicContact CE2-CG1 4.38Å; F428-V443 HydrophobicContact CZ-CB 4.48Å; F428-V443 HydrophobicContact CZ-CG1 3.78Å; F428-V443 HydrophobicContact CZ-CG2 3.81Å; F439-V443 HydrophobicContact CD1-CG2 4.05Å; F439-V443 HydrophobicContact CE1-CG2 3.75Å; F439-V443 HydrophobicContact CZ-CG2 4.21Å; F439-V443 WeakPolarHBondContact O-CG2 3.43Å; F439-V443 PolarHBondContact O-N 2.91Å; Q441-V443 VanDerWaalsContact C-N 3.31Å; Q441-V443 PolarHBondContact O-N 3.29Å; V443-E445 VanDerWaalsContact C-N 3.29Å; V443-E445 PolarHBondContact O-N 3.12Å; V443-E446 WeakPolarHBondContact O-CB 3.47Å; V443-E446 PolarHBondContact O-N 2.97Å; V443-V447 HydrophobicContact CG1-CG2 3.95Å; V443-V447 WeakPolarHBondContact O-CB 3.47Å; V443-V447 WeakPolarHBondContact O-CG2 3.39Å; V443-V447 PolarHBondContact O-N 2.88Å; V443-L495 HydrophobicContact CB-CD1 4.49Å; V443-L495 HydrophobicContact CG1-CD1 3.86Å; V443-L495 HydrophobicContact CG2-CD1 4.43Å; V443-I500 HydrophobicContact CG1-CD1 4.39Å; V443-I500 HydrophobicContact CG1-CG1 4.26Å
444	R	98.8	Very high	98.3	Very high	95 Å²	95	34.9 Å²	34.9	36%	0.358	17%	0.17	S	C	.	.	H	α-helix	trans	-56.5	-45.9	176.5	175.8	176.8	-64	118.6	3.2	111.3	I440 Q441 V447 V448 N499 I503	I440-R444 WeakPolarHBondContact O-CB 3.43Å; I440-R444 PolarHBondContact O-N 2.93Å; Q441-R444 WeakPolarHBondContact O-CB 3.29Å; Q441-R444 PolarHBondContact O-N 3.21Å; R444-V447 PolarHBondContact O-N 3.24Å; R444-V448 VanDerWaalsContact O-CG2 3.27Å; R444-V448 WeakPolarHBondContact O-CG2 3.24Å; R444-V448 PolarHBondContact O-N 2.77Å; R444-N499 PolarHBondContact NH2-ND2 3.43Å; R444-I503 HydrophobicContact CB-CD1 4.2Å; R444-I503 HydrophobicContact CG-CD1 3.85Å
445	E	98.5	Very high	98.3	Very high	64 Å²	64	35 Å²	35	30%	0.299	17%	0.17	S	C	.	.	H	α-helix	trans	-69	-38.5	-179.6	-69	175.4	-164.8	0	0	112.2	R134 Q441 T442 V443 Q449	R134-E445 IonicContact CZ-OE2 3.2Å; R134-E445 IonicContact NE-OE2 3.86Å; R134-E445 IonicContact NH1-OE2 3.68Å; R134-E445 PolarHBondContact NH1-OE2 3.42Å; R134-E445 IonicContact NH2-OE2 3.67Å; R134-E445 PolarHBondContact NH2-OE2 2.98Å; Q441-E445 PolarHBondContact NE2-OE1 2.87Å; Q441-E445 PolarHBondContact O-N 3.03Å; Q441-E445 VanDerWaalsContact O-N 3.1Å; T442-E445 PolarHBondContact O-N 3.06Å; V443-E445 VanDerWaalsContact C-N 3.29Å; V443-E445 PolarHBondContact O-N 3.12Å; E445-Q449 WeakPolarHBondContact O-CB 3.17Å; E445-Q449 VanDerWaalsContact O-CG 3.25Å; E445-Q449 WeakPolarHBondContact O-CG 3.3Å; E445-Q449 PolarHBondContact O-N 3.15Å; E445-Q449 VanDerWaalsContact O-N 3.16Å
446	E	98.8	Very high	98.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-57.1	-54.9	170.5	167.7	-174	155.6	0	0	111.7	N131 F133 R134 R193 Y406 T442 V443 V448 Q449 Q450	N131-E446 PolarHBondContact ND2-OE2 2.91Å; N131-E446 PolarHBondContact OD1-OE2 3.18Å; F133-E446 HydrophobicContact CB-CG 3.76Å; F133-E446 WeakPolarHBondContact CD2-OE1 3.23Å; R134-E446 HydrophobicContact CG-CB 4Å; R193-E446 IonicContact CZ-OE1 2.73Å; R193-E446 IonicContact CZ-OE2 2.64Å; R193-E446 IonicContact NE-OE1 3.81Å; R193-E446 IonicContact NE-OE2 3.22Å; R193-E446 PolarHBondContact NE-OE2 3.12Å; R193-E446 IonicContact NH2-OE1 3.35Å; R193-E446 PolarHBondContact NH2-OE1 2.86Å; R193-E446 IonicContact NH2-OE2 3.62Å; R193-E446 PolarHBondContact NH2-OE2 3.15Å; Y406-E446 HydrophobicContact CE2-CG 3.96Å; Y406-E446 WeakPolarHBondContact CE2-OE1 3.37Å; Y406-E446 PolarHBondContact OH-OE1 3.15Å; T442-E446 WeakPolarHBondContact O-CB 3.37Å; T442-E446 PolarHBondContact O-N 3.2Å; V443-E446 WeakPolarHBondContact O-CB 3.47Å; V443-E446 PolarHBondContact O-N 2.97Å; E446-V448 PolarHBondContact O-N 3.36Å; E446-Q449 PolarHBondContact O-N 3.41Å; E446-Q450 HydrophobicContact CG-CG 4.45Å; E446-Q450 WeakPolarHBondContact O-CB 3.41Å; E446-Q450 VanDerWaalsContact O-CG 3.31Å; E446-Q450 WeakPolarHBondContact O-CG 3.44Å; E446-Q450 PolarHBondContact O-N 3.49Å
447	V	98.9	Very high	98.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63.7	-45.2	-174	173.1	0	0	0	0	110.8	F426 V443 R444 Q449 Q450 V451 I500 I503	F426-V447 HydrophobicContact CD1-CG1 4.38Å; F426-V447 HydrophobicContact CD1-CG2 3.95Å; F426-V447 HydrophobicContact CE1-CB 4.17Å; F426-V447 HydrophobicContact CE1-CG1 3.65Å; F426-V447 HydrophobicContact CE1-CG2 4.02Å; F426-V447 HydrophobicContact CZ-CG1 4.05Å; V443-V447 HydrophobicContact CG1-CG2 3.95Å; V443-V447 WeakPolarHBondContact O-CB 3.47Å; V443-V447 WeakPolarHBondContact O-CG2 3.39Å; V443-V447 PolarHBondContact O-N 2.88Å; R444-V447 PolarHBondContact O-N 3.24Å; V447-Q449 PolarHBondContact O-N 2.89Å; V447-Q450 PolarHBondContact O-N 3.19Å; V447-V451 HydrophobicContact CG1-CG2 4.2Å; V447-V451 WeakPolarHBondContact O-CB 3.42Å; V447-V451 VanDerWaalsContact O-CG2 3.22Å; V447-V451 WeakPolarHBondContact O-CG2 3.32Å; V447-V451 PolarHBondContact O-N 3.06Å; V447-I500 HydrophobicContact CG1-CG2 4.22Å; V447-I500 HydrophobicContact CG2-CD1 4.48Å; V447-I500 HydrophobicContact CG2-CG1 3.88Å; V447-I500 HydrophobicContact CG2-CG2 4.45Å; V447-I503 HydrophobicContact CB-CD1 4.09Å; V447-I503 HydrophobicContact CB-CG2 4.45Å; V447-I503 HydrophobicContact CG1-CB 3.87Å; V447-I503 HydrophobicContact CG1-CD1 4Å; V447-I503 HydrophobicContact CG1-CG2 3.66Å
448	V	98.6	Very high	98.5	Very high	40 Å²	40	26.4 Å²	26.4	24%	0.242	13%	0.127	C	C	.	.	H	α-helix	trans	-57	-50.1	176	169.7	0	0	0	0	110.5	R444 E446 Q452 I503	R444-V448 VanDerWaalsContact O-CG2 3.27Å; R444-V448 WeakPolarHBondContact O-CG2 3.24Å; R444-V448 PolarHBondContact O-N 2.77Å; E446-V448 PolarHBondContact O-N 3.36Å; V448-Q452 WeakPolarHBondContact O-CB 3.35Å; V448-Q452 WeakPolarHBondContact O-CG 3Å; V448-Q452 PolarHBondContact O-N 3.03Å; V448-I503 HydrophobicContact CB-CG2 4.38Å; V448-I503 HydrophobicContact CG2-CD1 4.33Å; V448-I503 HydrophobicContact CG2-CG1 4.36Å; V448-I503 HydrophobicContact CG2-CG2 3.54Å
449	Q	98.5	Very high	98.6	Very high	61 Å²	61	22.7 Å²	22.7	29%	0.285	11%	0.107	S	C	.	.	H	α-helix	trans	-64.8	-43.1	-177.8	-72.1	-175.5	22.9	0	0	112.1	R135 E445 E446 V447 Q452 R453	R135-Q449 PolarHBondContact O-NE2 3.33Å; E445-Q449 WeakPolarHBondContact O-CB 3.17Å; E445-Q449 VanDerWaalsContact O-CG 3.25Å; E445-Q449 WeakPolarHBondContact O-CG 3.3Å; E445-Q449 PolarHBondContact O-N 3.15Å; E445-Q449 VanDerWaalsContact O-N 3.16Å; E446-Q449 PolarHBondContact O-N 3.41Å; V447-Q449 PolarHBondContact O-N 2.89Å; Q449-Q452 PolarHBondContact O-N 3.14Å; Q449-R453 VanDerWaalsContact O-CB 3.3Å; Q449-R453 WeakPolarHBondContact O-CB 3.36Å; Q449-R453 PolarHBondContact O-N 3.22Å
450	Q	98.8	Very high	98.6	Very high	11 Å²	11	22.3 Å²	22.3	5%	0.051	11%	0.105	C	C	.	.	H	α-helix	trans	-69.9	-42	-178.2	-68	-63.4	-18	0	0	112.1	F133 Y406 E446 V447 Q452 R453 L454	F133-Q450 PolarHBondContact O-NE2 2.98Å; Y406-Q450 HydrophobicContact CD1-CB 4.16Å; Y406-Q450 HydrophobicContact CD1-CG 4.08Å; Y406-Q450 HydrophobicContact CD2-CG 3.64Å; Y406-Q450 HydrophobicContact CE1-CB 4.18Å; Y406-Q450 HydrophobicContact CE1-CG 4.2Å; Y406-Q450 HydrophobicContact CE2-CG 3.78Å; Y406-Q450 HydrophobicContact CG-CB 4.36Å; Y406-Q450 HydrophobicContact CG-CG 3.8Å; E446-Q450 HydrophobicContact CG-CG 4.45Å; E446-Q450 WeakPolarHBondContact O-CB 3.41Å; E446-Q450 VanDerWaalsContact O-CG 3.31Å; E446-Q450 WeakPolarHBondContact O-CG 3.44Å; E446-Q450 PolarHBondContact O-N 3.49Å; V447-Q450 PolarHBondContact O-N 3.19Å; Q450-Q452 PolarHBondContact O-N 3.5Å; Q450-R453 WeakPolarHBondContact O-CB 3.41Å; Q450-R453 PolarHBondContact O-N 2.96Å; Q450-R453 VanDerWaalsContact OE1-CZ 3.25Å; Q450-L454 VanDerWaalsContact O-CB 3.25Å; Q450-L454 WeakPolarHBondContact O-CB 3.35Å; Q450-L454 WeakPolarHBondContact O-CG 3.5Å; Q450-L454 PolarHBondContact O-N 2.68Å
451	V	98.8	Very high	98.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-63.9	-43.8	175.6	178.5	0	0	0	0	110.4	F426 V447 R453 L454 K455 W463 V504 E507 D508	F426-V451 HydrophobicContact CE1-CG2 4.02Å; F426-V451 HydrophobicContact CZ-CG2 3.7Å; V447-V451 HydrophobicContact CG1-CG2 4.2Å; V447-V451 WeakPolarHBondContact O-CB 3.42Å; V447-V451 VanDerWaalsContact O-CG2 3.22Å; V447-V451 WeakPolarHBondContact O-CG2 3.32Å; V447-V451 PolarHBondContact O-N 3.06Å; V451-R453 VanDerWaalsContact C-N 3.3Å; V451-R453 PolarHBondContact O-N 2.63Å; V451-L454 PolarHBondContact O-N 2.64Å; V451-K455 HydrophobicContact CG1-CB 4.4Å; V451-K455 HydrophobicContact CG1-CD 4.39Å; V451-K455 WeakPolarHBondContact O-CB 3.37Å; V451-K455 VanDerWaalsContact O-CG 3.26Å; V451-K455 WeakPolarHBondContact O-CG 3.49Å; V451-K455 PolarHBondContact O-N 3.21Å; V451-W463 HydrophobicContact CG1-CZ2 4.44Å; V451-V504 HydrophobicContact CG2-CG2 3.92Å; V451-E507 HydrophobicContact CB-CB 4.29Å; V451-E507 HydrophobicContact CG1-CB 3.53Å; V451-E507 HydrophobicContact CG1-CG 4.45Å; V451-D508 HydrophobicContact CG1-CB 4.06Å
452	Q	97.6	Very high	98.6	Very high	19 Å²	19	18.2 Å²	18.2	9%	0.089	9%	0.086	C	C	.	.	H	α-helix	trans	-63.5	-34.3	175.8	-73.1	176.4	-0.9	0	0	113.2	Q228 V448 Q449 Q450 E507	Q228-Q452 HydrophobicContact CG-CB 4.23Å; Q228-Q452 PolarHBondContact NE2-O 3.46Å; V448-Q452 WeakPolarHBondContact O-CB 3.35Å; V448-Q452 WeakPolarHBondContact O-CG 3Å; V448-Q452 PolarHBondContact O-N 3.03Å; Q449-Q452 PolarHBondContact O-N 3.14Å; Q450-Q452 PolarHBondContact O-N 3.5Å; Q452-E507 WeakPolarHBondContact CG-OE2 3.38Å; Q452-E507 PolarHBondContact NE2-OE1 3.43Å; Q452-E507 PolarHBondContact NE2-OE2 2.87Å
453	R	98.3	Very high	98.6	Very high	35 Å²	35	17.8 Å²	17.8	13%	0.132	8%	0.083	C	C	.	.	H	α-helix	trans	-66.3	-43.5	174.5	-174.3	176.7	70.3	101.1	-3.1	111.4	E407 D409 Q449 Q450 V451	E407-R453 PolarHBondContact O-NH1 3.39Å; E407-R453 PolarHBondContact O-NH2 3.44Å; D409-R453 WeakPolarHBondContact OD1-CD 3.41Å; D409-R453 IonicContact OD1-CZ 3.82Å; D409-R453 IonicContact OD1-NE 2.78Å; D409-R453 IonicContact OD1-NH1 3.05Å; D409-R453 PolarHBondContact OD1-NH1 3.2Å; Q449-R453 VanDerWaalsContact O-CB 3.3Å; Q449-R453 WeakPolarHBondContact O-CB 3.36Å; Q449-R453 PolarHBondContact O-N 3.22Å; Q450-R453 WeakPolarHBondContact O-CB 3.41Å; Q450-R453 PolarHBondContact O-N 2.96Å; Q450-R453 VanDerWaalsContact OE1-CZ 3.25Å; V451-R453 VanDerWaalsContact C-N 3.3Å; V451-R453 PolarHBondContact O-N 2.63Å
454	L	98.8	Very high	98.6	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-103.8	-21.5	-161.7	-68.4	-179.2	0	0	0	115.1	Y412 Q450 V451 S456 H457 I460 W463	Y412-L454 HydrophobicContact CD1-CD2 4.18Å; Y412-L454 HydrophobicContact CD2-CD2 3.48Å; Y412-L454 VanDerWaalsContact CD2-CD2 3.48Å; Y412-L454 HydrophobicContact CE1-CD1 4.32Å; Y412-L454 HydrophobicContact CE1-CD2 4.08Å; Y412-L454 HydrophobicContact CE2-CD1 4.21Å; Y412-L454 HydrophobicContact CE2-CD2 3.36Å; Y412-L454 HydrophobicContact CE2-CG 4.43Å; Y412-L454 HydrophobicContact CG-CD2 3.89Å; Q450-L454 VanDerWaalsContact O-CB 3.25Å; Q450-L454 WeakPolarHBondContact O-CB 3.35Å; Q450-L454 WeakPolarHBondContact O-CG 3.5Å; Q450-L454 PolarHBondContact O-N 2.68Å; V451-L454 PolarHBondContact O-N 2.64Å; L454-S456 PolarHBondContact O-N 2.85Å; L454-H457 PolarHBondContact O-CD2 3.36Å; L454-H457 PolarHBondContact O-N 2.69Å; L454-I460 HydrophobicContact CB-CD1 3.7Å; L454-I460 HydrophobicContact CD1-CD1 4.42Å; L454-I460 HydrophobicContact CG-CD1 4.48Å; L454-W463 HydrophobicContact CB-CH2 3.72Å; L454-W463 HydrophobicContact CD1-CH2 4.43Å
455	K	98.3	Very high	98.7	Very high	1 Å²	1	13.3 Å²	13.3	0%	0.004	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-13.6	-175.1	69.1	-174.4	-178.8	-175.5	0	115.3	S230 E249 V451 E507 D508 R511	S230-K455 WeakPolarHBondContact OG-CE 3.45Å; E249-K455 IonicContact OE2-NZ 3.82Å; E249-K455 PolarHBondContact OE2-NZ 3.13Å; V451-K455 HydrophobicContact CG1-CB 4.4Å; V451-K455 HydrophobicContact CG1-CD 4.39Å; V451-K455 WeakPolarHBondContact O-CB 3.37Å; V451-K455 VanDerWaalsContact O-CG 3.26Å; V451-K455 WeakPolarHBondContact O-CG 3.49Å; V451-K455 PolarHBondContact O-N 3.21Å; K455-E507 VanDerWaalsContact CD-O 3.24Å; K455-E507 WeakPolarHBondContact CD-O 3.37Å; K455-E507 WeakPolarHBondContact CE-O 3.26Å; K455-E507 PolarHBondContact NZ-O 2.92Å; K455-E507 IonicContact NZ-OE2 3.54Å; K455-E507 PolarHBondContact NZ-OE2 3.19Å; K455-D508 HydrophobicContact CB-CB 4.03Å; K455-D508 HydrophobicContact CD-CB 4.27Å; K455-R511 VanDerWaalsContact O-CZ 3.26Å; K455-R511 PolarHBondContact O-NH1 3.31Å; K455-R511 PolarHBondContact O-NH2 3.15Å
456	S	98.3	Very high	98.7	Very high	25 Å²	25	10.2 Å²	10.2	18%	0.175	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-13.4	177.2	-66.1	0	0	0	0	115	S230 S231 L454	S230-S456 WeakPolarHBondContact CA-OG 3.32Å; S231-S456 PolarHBondContact N-OG 3.19Å; S231-S456 WeakPolarHBondContact O-CA 3.08Å; S231-S456 WeakPolarHBondContact O-CB 3.41Å; S231-S456 PolarHBondContact O-OG 2.65Å; L454-S456 PolarHBondContact O-N 2.85Å
457	H	98.8	Very high	98.7	Very high	20 Å²	20	10.3 Å²	10.3	9%	0.093	5%	0.052	C	C	.	.			trans	-80.3	118.8	-179.1	-69.3	-74.9	0	0	0	111.3	D413 D416 L454 S459 I460 R511	D413-H457 IonicContact OD1-CE1 3.33Å; D416-H457 IonicContact OD1-ND1 3.35Å; D416-H457 IonicContact OD2-CE1 2.88Å; D416-H457 IonicContact OD2-CG 3.54Å; D416-H457 IonicContact OD2-ND1 2.63Å; D416-H457 PolarHBondContact OD2-ND1 2.97Å; L454-H457 PolarHBondContact O-CD2 3.36Å; L454-H457 PolarHBondContact O-N 2.69Å; H457-S459 PolarHBondContact O-N 2.57Å; H457-I460 HydrophobicContact CB-CD1 4.46Å; H457-I460 HydrophobicContact CB-CG1 4.38Å; H457-I460 PolarHBondContact O-N 3.21Å; H457-R511 PolarHBondContact O-NH2 3.06Å
458	P	98.7	Very high	98.7	Very high	3 Å²	3	11.4 Å²	11.4	2%	0.019	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-24.8	174.3	31	-42.3	0	0	0	112.4	W301 F333 R335 D416 I460	W301-P458 HydrophobicContact CD2-CB 3.87Å; W301-P458 HydrophobicContact CD2-CG 4.18Å; W301-P458 HydrophobicContact CE3-CB 4.21Å; W301-P458 HydrophobicContact CG-CB 4.02Å; W301-P458 HydrophobicContact CG-CG 4.15Å; F333-P458 HydrophobicContact CB-CB 3.75Å; F333-P458 HydrophobicContact CB-CG 3.48Å; F333-P458 VanDerWaalsContact CB-CG 3.48Å; F333-P458 HydrophobicContact CD1-CG 4.05Å; F333-P458 VanDerWaalsContact CD2-CD 3.44Å; F333-P458 HydrophobicContact CD2-CG 3.65Å; F333-P458 HydrophobicContact CE2-CG 4.3Å; F333-P458 HydrophobicContact CG-CB 4.32Å; F333-P458 HydrophobicContact CG-CG 3.5Å; F333-P458 VanDerWaalsContact CG-CG 3.5Å; R335-P458 HydrophobicContact CG-CB 4.1Å; R335-P458 PolarHBondContact NE-O 2.95Å; R335-P458 PolarHBondContact NH2-O 3.36Å; D416-P458 HydrophobicContact CB-CG 4.07Å; D416-P458 VanDerWaalsContact CG-CD 3.42Å; D416-P458 VanDerWaalsContact OD1-CD 3.23Å; D416-P458 WeakPolarHBondContact OD1-CD 3.46Å; D416-P458 WeakPolarHBondContact OD1-CG 3.44Å; D416-P458 WeakPolarHBondContact OD2-CD 3.29Å; P458-I460 VanDerWaalsContact C-N 3.31Å; P458-I460 PolarHBondContact O-N 3.14Å
459	S	98.9	Very high	98.7	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-44.4	176.9	48.5	0	0	0	0	112.1	D416 V420 M421 V422 H457 I461	D416-S459 WeakPolarHBondContact OD1-CB 3.13Å; D416-S459 PolarHBondContact OD1-N 3.15Å; D416-S459 PolarHBondContact OD1-OG 2.6Å; V420-S459 WeakPolarHBondContact O-CB 3.31Å; M421-S459 CarbonylContact C-O 3.58Å; M421-S459 VanDerWaalsContact CA-O 3.25Å; M421-S459 WeakPolarHBondContact CA-O 3.49Å; V422-S459 PolarHBondContact N-O 3.25Å; H457-S459 PolarHBondContact O-N 2.57Å; S459-I461 PolarHBondContact O-N 3.23Å; S459-I461 VanDerWaalsContact O-N 3.12Å
460	I	98.9	Very high	98.7	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	115.4	-178.2	-58.3	178.3	0	0	0	110.3	R335 Y412 V422 Q424 L454 H457 P458 W463 R511	R335-I460 PolarHBondContact NH2-O 3.05Å; Y412-I460 HydrophobicContact CD1-CD1 4.08Å; Y412-I460 HydrophobicContact CD1-CG1 4.17Å; Y412-I460 HydrophobicContact CE1-CD1 3.99Å; Y412-I460 HydrophobicContact CE1-CG1 4.27Å; V422-I460 HydrophobicContact CB-CG1 4.16Å; V422-I460 HydrophobicContact CG1-CG1 4.23Å; V422-I460 CarbonylContact O-C 3.44Å; V422-I460 WeakPolarHBondContact O-CA 3.25Å; Q424-I460 HydrophobicContact CB-CG2 4.01Å; L454-I460 HydrophobicContact CB-CD1 3.7Å; L454-I460 HydrophobicContact CD1-CD1 4.42Å; L454-I460 HydrophobicContact CG-CD1 4.48Å; H457-I460 HydrophobicContact CB-CD1 4.46Å; H457-I460 HydrophobicContact CB-CG1 4.38Å; H457-I460 PolarHBondContact O-N 3.21Å; P458-I460 VanDerWaalsContact C-N 3.31Å; P458-I460 PolarHBondContact O-N 3.14Å; I460-W463 HydrophobicContact CD1-CH2 3.82Å; I460-W463 HydrophobicContact CD1-CZ2 4.33Å; I460-W463 HydrophobicContact CD1-CZ3 4.43Å; I460-W463 HydrophobicContact CG2-CD2 4.47Å; I460-W463 HydrophobicContact CG2-CH2 4.29Å; I460-W463 HydrophobicContact CG2-CZ2 4.13Å; I460-R511 VanDerWaalsContact O-CD 3.25Å; I460-R511 WeakPolarHBondContact O-CD 3.26Å; I460-R511 PolarHBondContact O-NE 3.06Å
461	I	98.9	Very high	98.7	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	-19.2	-178.5	53.5	163.7	0	0	0	113.2	V337 F354 I356 L363 M421 V422 S459 P512	V337-I461 HydrophobicContact CG2-CB 3.93Å; V337-I461 HydrophobicContact CG2-CG2 4.22Å; V337-I461 WeakPolarHBondContact CG2-O 3.2Å; F354-I461 HydrophobicContact CD1-CD1 4.12Å; F354-I461 HydrophobicContact CD2-CD1 4.38Å; F354-I461 HydrophobicContact CE1-CD1 4.08Å; F354-I461 HydrophobicContact CE1-CG1 4.44Å; F354-I461 HydrophobicContact CE2-CD1 4.35Å; F354-I461 HydrophobicContact CG-CD1 4.25Å; F354-I461 HydrophobicContact CZ-CD1 4.19Å; I356-I461 HydrophobicContact CD1-CG2 3.95Å; L363-I461 HydrophobicContact CD2-CD1 3.66Å; L363-I461 HydrophobicContact CG-CD1 4.49Å; M421-I461 HydrophobicContact CB-CD1 3.99Å; M421-I461 HydrophobicContact CB-CG1 4.19Å; M421-I461 HydrophobicContact CB-CG2 3.9Å; M421-I461 HydrophobicContact CG-CG2 3.83Å; M421-I461 HydrophobicContact SD-CD1 4.15Å; M421-I461 HydrophobicContact SD-CG2 3.88Å; V422-I461 WeakPolarHBondContact O-CG1 3.37Å; V422-I461 PolarHBondContact O-N 3.21Å; S459-I461 PolarHBondContact O-N 3.23Å; S459-I461 VanDerWaalsContact O-N 3.12Å; I461-P512 WeakPolarHBondContact O-CD 3.35Å; I461-P512 WeakPolarHBondContact O-CG 3.46Å
462	I	98.9	Very high	98.7	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	147.2	-177.8	-168.1	151.2	0	0	0	111.2	L339 F354 W423 Q424 P512 L514	L339-I462 HydrophobicContact CD2-CD1 4.03Å; F354-I462 HydrophobicContact CE1-CB 3.99Å; F354-I462 HydrophobicContact CE1-CD1 3.86Å; F354-I462 HydrophobicContact CE1-CG2 4.43Å; F354-I462 HydrophobicContact CZ-CB 4.03Å; F354-I462 HydrophobicContact CZ-CD1 3.57Å; F354-I462 HydrophobicContact CZ-CG1 4.45Å; F354-I462 HydrophobicContact CZ-CG2 4.05Å; W423-I462 HydrophobicContact CB-CG2 3.84Å; W423-I462 HydrophobicContact CD2-CG2 3.62Å; W423-I462 HydrophobicContact CE3-CG2 4Å; W423-I462 HydrophobicContact CG-CG2 3.54Å; Q424-I462 PolarHBondContact N-O 3.24Å; I462-P512 HydrophobicContact CB-CG 4.1Å; I462-P512 HydrophobicContact CD1-CB 4.09Å; I462-P512 HydrophobicContact CD1-CG 3.83Å; I462-P512 HydrophobicContact CG1-CB 4.25Å; I462-P512 HydrophobicContact CG1-CG 3.85Å; I462-L514 HydrophobicContact CD1-CD1 3.46Å; I462-L514 VanDerWaalsContact CD1-CD1 3.46Å; I462-L514 HydrophobicContact CD1-CD2 4.32Å; I462-L514 HydrophobicContact CD1-CG 3.59Å; I462-L514 HydrophobicContact CG1-CD1 4.23Å; I462-L514 HydrophobicContact CG1-CG 4.2Å
463	W	98.9	Very high	98.7	Very high	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	132.6	167.4	-61.6	107.5	0	0	0	109.5	Q424 F426 V451 L454 I460 V504 D508 P512 F513 L514	Q424-W463 HydrophobicContact CB-CE3 4.01Å; Q424-W463 HydrophobicContact CB-CZ3 4.04Å; Q424-W463 HydrophobicContact CG-CE3 3.84Å; Q424-W463 HydrophobicContact CG-CZ3 3.52Å; Q424-W463 WeakPolarHBondContact O-CA 3.23Å; F426-W463 HydrophobicContact CE2-CB 4.19Å; F426-W463 HydrophobicContact CE2-CE3 4.05Å; F426-W463 AromaticContact CZ-CE3 3.97Å; F426-W463 HydrophobicContact CZ-CE3 3.97Å; F426-W463 HydrophobicContact CZ-CZ3 4.48Å; V451-W463 HydrophobicContact CG1-CZ2 4.44Å; L454-W463 HydrophobicContact CB-CH2 3.72Å; L454-W463 HydrophobicContact CD1-CH2 4.43Å; I460-W463 HydrophobicContact CD1-CH2 3.82Å; I460-W463 HydrophobicContact CD1-CZ2 4.33Å; I460-W463 HydrophobicContact CD1-CZ3 4.43Å; I460-W463 HydrophobicContact CG2-CD2 4.47Å; I460-W463 HydrophobicContact CG2-CH2 4.29Å; I460-W463 HydrophobicContact CG2-CZ2 4.13Å; W463-V504 HydrophobicContact CB-CG1 4.18Å; W463-V504 HydrophobicContact CG-CG1 3.87Å; W463-D508 PolarHBondContact NE1-OD2 3.49Å; W463-P512 PolarHBondContact N-O 2.88Å; W463-P512 VanDerWaalsContact N-O 3.11Å; W463-F513 HydrophobicContact CB-CD2 3.85Å; W463-F513 CarbonylContact O-C 3.48Å; W463-F513 VanDerWaalsContact O-CA 3.29Å; W463-F513 WeakPolarHBondContact O-CA 3.24Å; W463-L514 PolarHBondContact O-N 2.81Å
464	S	98.9	Very high	98.7	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	127.4	178.5	172.2	0	0	0	0	110.4	Q424 D425 F426 N466 L514	Q424-S464 PolarHBondContact O-N 2.93Å; D425-S464 CarbonylContact C-O 3.5Å; D425-S464 VanDerWaalsContact CA-O 3.25Å; D425-S464 WeakPolarHBondContact CA-O 3.35Å; D425-S464 WeakPolarHBondContact OD1-CB 3.41Å; D425-S464 PolarHBondContact OD1-OG 2.92Å; D425-S464 VanDerWaalsContact OD1-OG 3.14Å; F426-S464 WeakPolarHBondContact CD2-O 3.23Å; F426-S464 PolarHBondContact N-O 2.87Å; S464-N466 VanDerWaalsContact C-N 3.34Å; S464-N466 PolarHBondContact O-N 3.24Å; S464-N466 PolarHBondContact OG-O 2.87Å; S464-L514 CarbonylContact C-O 3.53Å; S464-L514 WeakPolarHBondContact CA-O 3.3Å
465	G	98.9	Very high	98.6	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	5%	0.045	C	C	.	.	S	Bend	trans	-65.6	-31.6	-170.1	0	0	0	0	0	114.7	Y496 L514 V515	G465-Y496 WeakPolarHBondContact O-CD1 3.46Å; G465-Y496 WeakPolarHBondContact O-CE1 3.24Å; G465-L514 PolarHBondContact N-O 3.36Å; G465-V515 WeakPolarHBondContact CA-O 3.45Å
466	N	98.9	Very high	98.6	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.058	C	C	.	.			trans	-167.4	172.2	179	63.1	78.9	0	0	0	111.7	F428 S464 N469 Y496 V515 S516 S517	F428-N466 HydrophobicContact CB-CB 3.87Å; F428-N466 CarbonylContact O-C 3.59Å; F428-N466 VanDerWaalsContact O-CA 3.26Å; F428-N466 WeakPolarHBondContact O-CA 3.27Å; F428-N466 WeakPolarHBondContact O-CB 3.33Å; S464-N466 VanDerWaalsContact C-N 3.34Å; S464-N466 PolarHBondContact O-N 3.24Å; S464-N466 PolarHBondContact OG-O 2.87Å; N466-N469 HydrophobicContact CB-CB 4.36Å; N466-N469 WeakPolarHBondContact CB-ND2 3.32Å; N466-N469 WeakPolarHBondContact OD1-CB 3.45Å; N466-N469 PolarHBondContact OD1-N 2.75Å; N466-Y496 HydrophobicContact CB-CD1 4.25Å; N466-Y496 HydrophobicContact CB-CE1 3.69Å; N466-V515 PolarHBondContact ND2-O 3.39Å; N466-S516 WeakPolarHBondContact OD1-CB 3.34Å; N466-S516 PolarHBondContact OD1-OG 2.97Å; N466-S517 PolarHBondContact O-N 3.24Å
467	N	98.9	Very high	98.6	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.011	7%	0.067	C	C	.	.	B	Isolated β-bridge	trans	-97.1	123.6	164.5	180	77.1	0	0	0	111.3	R399 W401 F428 A429 C430 N469 H543 E565	R399-N467 PolarHBondContact NH2-OD1 2.89Å; W401-N467 PolarHBondContact NE1-ND2 2.89Å; W401-N467 VanDerWaalsContact NE1-ND2 3.17Å; W401-N467 PolarHBondContact NE1-OD1 3.03Å; F428-N467 PolarHBondContact O-N 3.22Å; A429-N467 WeakPolarHBondContact CA-O 3.43Å; A429-N467 HydrophobicContact CB-CB 3.77Å; C430-N467 PolarHBondContact N-O 3.18Å; C430-N467 PolarHBondContact SG-ND2 3.1Å; N467-N469 PolarHBondContact O-N 3.38Å; N467-N469 PolarHBondContact O-OD1 3.01Å; N467-N469 VanDerWaalsContact O-OD1 3.13Å; N467-H543 PolarHBondContact OD1-CE1 3.17Å; N467-E565 PolarHBondContact OD1-OE1 2.88Å; N467-E565 VanDerWaalsContact OD1-OE1 3.08Å
468	E	98.8	Very high	98.5	Very high	22 Å²	22	14.4 Å²	14.4	10%	0.103	7%	0.072	C	C	.	.	S	Bend	trans	58.3	4.9	167.4	-64.8	-178	140.5	0	0	117.7	C430 E470 A471 A472 W477 S517 H543	C430-E468 PolarHBondContact SG-OE2 2.85Å; E468-E470 VanDerWaalsContact C-N 3.3Å; E468-E470 PolarHBondContact O-N 3.1Å; E468-A471 PolarHBondContact O-N 2.83Å; E468-A472 WeakPolarHBondContact O-CB 3.02Å; E468-A472 PolarHBondContact O-N 2.87Å; E468-W477 HydrophobicContact CB-CH2 3.76Å; E468-W477 HydrophobicContact CB-CZ3 4.05Å; E468-W477 HydrophobicContact CG-CH2 4.18Å; E468-W477 WeakPolarHBondContact OE2-CH2 3.41Å; E468-S517 WeakPolarHBondContact CA-O 3.09Å; E468-S517 PolarHBondContact N-O 3.39Å; E468-H543 WeakPolarHBondContact CG-ND1 3.35Å; E468-H543 IonicContact OE1-CE1 2.74Å; E468-H543 IonicContact OE1-CG 3.47Å; E468-H543 IonicContact OE1-ND1 2.73Å; E468-H543 PolarHBondContact OE1-ND1 3.11Å
469	N	98.9	Very high	98.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-72.2	-27.9	-176.2	-59.2	-24.7	0	0	0	112	C430 A431 M432 N466 N467 L473 Y492 Y496	C430-N469 VanDerWaalsContact CA-OD1 3.3Å; C430-N469 WeakPolarHBondContact CA-OD1 3.21Å; C430-N469 PolarHBondContact N-OD1 3.42Å; A431-N469 PolarHBondContact N-OD1 2.79Å; A431-N469 PolarHBondContact O-ND2 3.45Å; A431-N469 VanDerWaalsContact O-ND2 3.16Å; A431-N469 PolarHBondContact O-OD1 2.97Å; M432-N469 HydrophobicContact CE-CB 3.88Å; N466-N469 HydrophobicContact CB-CB 4.36Å; N466-N469 WeakPolarHBondContact CB-ND2 3.32Å; N466-N469 WeakPolarHBondContact OD1-CB 3.45Å; N466-N469 PolarHBondContact OD1-N 2.75Å; N467-N469 PolarHBondContact O-N 3.38Å; N467-N469 PolarHBondContact O-OD1 3.01Å; N467-N469 VanDerWaalsContact O-OD1 3.13Å; N469-L473 WeakPolarHBondContact O-CB 3.29Å; N469-L473 PolarHBondContact O-N 2.83Å; N469-L473 VanDerWaalsContact O-N 3.14Å; N469-Y492 HydrophobicContact CB-CD2 4.37Å; N469-Y492 HydrophobicContact CB-CE2 3.94Å; N469-Y496 HydrophobicContact CB-CE2 4.48Å; N469-Y496 PolarHBondContact ND2-OH 2.6Å
470	E	98.8	Very high	98.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.5	-51.5	170	-168.6	179.1	165.7	0	0	110.7	E468 A472 L473 A474 Y492 S516 T519 S524 V530 A531 P534	E468-E470 VanDerWaalsContact C-N 3.3Å; E468-E470 PolarHBondContact O-N 3.1Å; E470-A472 PolarHBondContact O-N 2.91Å; E470-L473 PolarHBondContact O-N 3.3Å; E470-A474 VanDerWaalsContact O-CB 3.28Å; E470-A474 WeakPolarHBondContact O-CB 3.32Å; E470-A474 PolarHBondContact O-N 3.03Å; E470-Y492 HydrophobicContact CB-CE2 4.45Å; E470-Y492 WeakPolarHBondContact CB-OH 3.37Å; E470-S516 VanDerWaalsContact CB-CB 3.42Å; E470-S516 VanDerWaalsContact CB-OG 3.3Å; E470-S516 WeakPolarHBondContact CB-OG 3.49Å; E470-S516 PolarHBondContact N-OG 2.77Å; E470-T519 WeakPolarHBondContact OE2-CB 3.38Å; E470-T519 PolarHBondContact OE2-OG1 2.87Å; E470-S524 VanDerWaalsContact OE1-CB 3.27Å; E470-S524 WeakPolarHBondContact OE1-CB 3.24Å; E470-S524 PolarHBondContact OE1-OG 2.73Å; E470-V530 HydrophobicContact CG-CG1 4.4Å; E470-A531 WeakPolarHBondContact OE1-CB 3.38Å; E470-A531 PolarHBondContact OE1-N 3.4Å; E470-P534 HydrophobicContact CG-CB 4.34Å; E470-P534 HydrophobicContact CG-CG 3.86Å
471	A	98.5	Very high	98.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-59.1	-45.6	178.5	0	0	0	0	0	111.9	E468 L473 A474 T475 W477 P518 P534 Y535	E468-A471 PolarHBondContact O-N 2.83Å; A471-L473 VanDerWaalsContact C-N 3.3Å; A471-L473 PolarHBondContact O-N 2.94Å; A471-A474 PolarHBondContact O-N 2.7Å; A471-T475 WeakPolarHBondContact O-CB 3.34Å; A471-T475 PolarHBondContact O-N 3.27Å; A471-T475 PolarHBondContact O-OG1 3.23Å; A471-W477 HydrophobicContact CB-CZ2 4.34Å; A471-P518 HydrophobicContact CB-CG 4.17Å; A471-P534 HydrophobicContact CB-CB 4.44Å; A471-Y535 HydrophobicContact CB-CE2 3.7Å
472	A	98.4	Very high	98.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-59.6	-40.1	178.9	0	0	0	0	0	112.4	E468 E470 N476 W477 F478	E468-A472 WeakPolarHBondContact O-CB 3.02Å; E468-A472 PolarHBondContact O-N 2.87Å; E470-A472 PolarHBondContact O-N 2.91Å; A472-N476 CarbonylContact O-C 3.53Å; A472-N476 VanDerWaalsContact O-CA 3.24Å; A472-N476 WeakPolarHBondContact O-CA 3.16Å; A472-N476 PolarHBondContact O-N 3.45Å; A472-W477 HydrophobicContact CB-CB 4.23Å; A472-W477 HydrophobicContact CB-CD2 3.64Å; A472-W477 HydrophobicContact CB-CE3 3.45Å; A472-W477 VanDerWaalsContact CB-CE3 3.45Å; A472-W477 HydrophobicContact CB-CG 3.99Å; A472-W477 HydrophobicContact CB-CZ3 4.07Å; A472-W477 PolarHBondContact O-N 3.36Å; A472-F478 HydrophobicContact CB-CE2 3.72Å; A472-F478 HydrophobicContact CB-CZ 4.06Å
473	L	98.3	Very high	98	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-78.7	-40.3	179.2	-177.7	57.7	0	0	0	112.8	M432 N469 E470 A471 I480 V489 Y492 V530	M432-L473 HydrophobicContact CE-CB 4.44Å; M432-L473 HydrophobicContact SD-CB 4.39Å; M432-L473 HydrophobicContact SD-CD1 4.36Å; N469-L473 WeakPolarHBondContact O-CB 3.29Å; N469-L473 PolarHBondContact O-N 2.83Å; N469-L473 VanDerWaalsContact O-N 3.14Å; E470-L473 PolarHBondContact O-N 3.3Å; A471-L473 VanDerWaalsContact C-N 3.3Å; A471-L473 PolarHBondContact O-N 2.94Å; L473-I480 HydrophobicContact CD1-CD1 4.18Å; L473-V489 HydrophobicContact CD2-CB 4.45Å; L473-V489 HydrophobicContact CD2-CG2 3.87Å; L473-V489 HydrophobicContact CG-CG2 4.3Å; L473-Y492 HydrophobicContact CD2-CD2 4.39Å; L473-Y492 HydrophobicContact CD2-CG 4.16Å; L473-V530 HydrophobicContact CD2-CG1 4.4Å; L473-V530 HydrophobicContact CD2-CG2 3.98Å; L473-V530 HydrophobicContact CG-CG1 4.33Å
474	A	98	Very high	97.9	Very high	16 Å²	16	36.2 Å²	36.2	13%	0.132	21%	0.212	C	C	.	.	H	α-helix	trans	-62.1	-49.4	178.4	0	0	0	0	0	111	E470 A471 K485 V530 A531 P534	E470-A474 VanDerWaalsContact O-CB 3.28Å; E470-A474 WeakPolarHBondContact O-CB 3.32Å; E470-A474 PolarHBondContact O-N 3.03Å; A471-A474 PolarHBondContact O-N 2.7Å; A474-K485 PolarHBondContact O-NZ 2.6Å; A474-V530 HydrophobicContact CB-CG1 4.07Å; A474-A531 VanDerWaalsContact CB-O 3.3Å; A474-A531 WeakPolarHBondContact CB-O 3.01Å; A474-P534 HydrophobicContact CB-CG 3.61Å
475	T	97.2	Very high	97.9	Very high	68 Å²	68	40 Å²	40	42%	0.417	23%	0.229	S	C	.	.	H	α-helix	trans	-93.2	-0.8	-176.1	67	0	0	0	0	114.2	A471 W477 Y535	A471-T475 WeakPolarHBondContact O-CB 3.34Å; A471-T475 PolarHBondContact O-N 3.27Å; A471-T475 PolarHBondContact O-OG1 3.23Å; T475-W477 PolarHBondContact OG1-NE1 2.74Å; T475-Y535 HydrophobicContact CG2-CE2 4.46Å
476	N	97.2	Very high	97.8	Very high	49 Å²	49	44.2 Å²	44.2	26%	0.262	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	60	48.4	174.2	-161.9	26.3	0	0	0	115.3	A472 F478 N479 I480	A472-N476 CarbonylContact O-C 3.53Å; A472-N476 VanDerWaalsContact O-CA 3.24Å; A472-N476 WeakPolarHBondContact O-CA 3.16Å; A472-N476 PolarHBondContact O-N 3.45Å; N476-F478 PolarHBondContact O-N 3.39Å; N476-F478 VanDerWaalsContact O-N 3.07Å; N476-N479 PolarHBondContact O-N 2.95Å; N476-N479 VanDerWaalsContact O-N 3.08Å; N476-I480 PolarHBondContact ND2-N 3.21Å; N476-I480 PolarHBondContact ND2-O 2.74Å; N476-I480 WeakPolarHBondContact OD1-CA 3.41Å; N476-I480 VanDerWaalsContact OD1-CB 3.26Å; N476-I480 WeakPolarHBondContact OD1-CB 3.45Å; N476-I480 PolarHBondContact OD1-N 2.74Å
477	W	98.1	Very high	97.8	Very high	99 Å²	99	46.5 Å²	46.5	38%	0.375	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-35.8	178.7	-70.8	1.8	0	0	0	113.6	C430 E468 A471 A472 T475 Y535	C430-W477 HydrophobicContact CB-CZ3 4.44Å; E468-W477 HydrophobicContact CB-CH2 3.76Å; E468-W477 HydrophobicContact CB-CZ3 4.05Å; E468-W477 HydrophobicContact CG-CH2 4.18Å; E468-W477 WeakPolarHBondContact OE2-CH2 3.41Å; A471-W477 HydrophobicContact CB-CZ2 4.34Å; A472-W477 HydrophobicContact CB-CB 4.23Å; A472-W477 HydrophobicContact CB-CD2 3.64Å; A472-W477 HydrophobicContact CB-CE3 3.45Å; A472-W477 VanDerWaalsContact CB-CE3 3.45Å; A472-W477 HydrophobicContact CB-CG 3.99Å; A472-W477 HydrophobicContact CB-CZ3 4.07Å; A472-W477 PolarHBondContact O-N 3.36Å; T475-W477 PolarHBondContact OG1-NE1 2.74Å; W477-Y535 WeakPolarHBondContact CZ2-OH 3.47Å
478	F	97.8	Very high	97.8	Very high	44 Å²	44	46.9 Å²	46.9	19%	0.193	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	11.7	-173.5	-49.6	-56	0	0	0	114.3	P175 P176 C430 M432 A472 N476 I480	P175-F478 HydrophobicContact CB-CB 3.56Å; P175-F478 HydrophobicContact CB-CD1 4.16Å; P175-F478 HydrophobicContact CB-CD2 4.17Å; P175-F478 HydrophobicContact CB-CG 3.7Å; P175-F478 HydrophobicContact CG-CB 3.5Å; P175-F478 HydrophobicContact CG-CD2 3.77Å; P175-F478 HydrophobicContact CG-CG 3.72Å; P176-F478 HydrophobicContact CB-CD1 4.21Å; P176-F478 HydrophobicContact CB-CE1 4.07Å; P176-F478 HydrophobicContact CG-CE1 4.04Å; C430-F478 WeakPolarHBondContact O-CZ 3.46Å; M432-F478 HydrophobicContact CE-CE2 4.14Å; M432-F478 HydrophobicContact CG-CD2 4.09Å; M432-F478 HydrophobicContact CG-CE2 4.16Å; A472-F478 HydrophobicContact CB-CE2 3.72Å; A472-F478 HydrophobicContact CB-CZ 4.06Å; N476-F478 PolarHBondContact O-N 3.39Å; N476-F478 VanDerWaalsContact O-N 3.07Å; F478-I480 HydrophobicContact CB-CG1 4.24Å; F478-I480 PolarHBondContact O-N 2.86Å
479	N	97.2	Very high	97.8	Very high	138 Å²	138	48 Å²	48	74%	0.738	28%	0.28	S	S	*	.			trans	52.8	40	-179.9	-60.8	-62.1	0	0	0	113.3	N476	N476-N479 PolarHBondContact O-N 2.95Å; N476-N479 VanDerWaalsContact O-N 3.08Å
480	I	96.6	Very high	97.7	Very high	7 Å²	7	54.9 Å²	54.9	4%	0.036	31%	0.31	C	S	.	.			trans	-59.9	130.2	178.5	-67.4	165.3	0	0	0	109.3	P175 M432 L473 N476 F478 A482 L484 Y488	P175-I480 HydrophobicContact CG-CD1 4.38Å; P175-I480 HydrophobicContact CG-CG1 4.29Å; M432-I480 HydrophobicContact CG-CD1 4.46Å; L473-I480 HydrophobicContact CD1-CD1 4.18Å; N476-I480 PolarHBondContact ND2-N 3.21Å; N476-I480 PolarHBondContact ND2-O 2.74Å; N476-I480 WeakPolarHBondContact OD1-CA 3.41Å; N476-I480 VanDerWaalsContact OD1-CB 3.26Å; N476-I480 WeakPolarHBondContact OD1-CB 3.45Å; N476-I480 PolarHBondContact OD1-N 2.74Å; F478-I480 HydrophobicContact CB-CG1 4.24Å; F478-I480 PolarHBondContact O-N 2.86Å; I480-A482 PolarHBondContact O-N 2.89Å; I480-L484 HydrophobicContact CG2-CB 4.18Å; I480-Y488 HydrophobicContact CB-CD2 4.47Å; I480-Y488 HydrophobicContact CB-CE2 4.27Å; I480-Y488 HydrophobicContact CD1-CD1 4Å; I480-Y488 HydrophobicContact CD1-CD2 3.89Å; I480-Y488 HydrophobicContact CD1-CE1 4.17Å; I480-Y488 HydrophobicContact CD1-CE2 4.07Å; I480-Y488 HydrophobicContact CD1-CG 3.82Å; I480-Y488 HydrophobicContact CG1-CD2 4.27Å; I480-Y488 HydrophobicContact CG1-CE2 4Å; I480-Y488 HydrophobicContact CG2-CD2 3.43Å; I480-Y488 VanDerWaalsContact CG2-CD2 3.43Å; I480-Y488 HydrophobicContact CG2-CE2 3.31Å; I480-Y488 HydrophobicContact CG2-CG 4.4Å
481	P	96.6	Very high	97.7	Very high	71 Å²	71	55.5 Å²	55.5	46%	0.461	31%	0.313	S	S	.	.			trans	-57.3	136.3	173.9	-25.9	34.5	0	0	0	111.6	S483 L484 K485	P481-S483 PolarHBondContact O-N 3.12Å; P481-L484 HydrophobicContact CB-CD1 4.5Å; P481-L484 HydrophobicContact CG-CD1 4.23Å; P481-L484 PolarHBondContact O-N 3.33Å; P481-K485 PolarHBondContact O-N 2.69Å
482	A	96.4	Very high	97.8	Very high	89 Å²	89	55.8 Å²	55.8	74%	0.736	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-33.3	-177.6	0	0	0	0	0	113.4	I480 L484 K485	I480-A482 PolarHBondContact O-N 2.89Å; A482-L484 VanDerWaalsContact C-N 3.26Å; A482-L484 PolarHBondContact O-N 3.13Å; A482-K485 PolarHBondContact O-N 2.84Å
483	S	97.3	Very high	97.8	Very high	102 Å²	102	57 Å²	57	71%	0.713	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-24.1	176.3	57.3	0	0	0	0	114.1	P481	P481-S483 PolarHBondContact O-N 3.12Å
484	L	97.6	Very high	97.8	Very high	54 Å²	54	58.8 Å²	58.8	28%	0.283	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-16.1	178.9	-65.4	177.1	0	0	0	112.9	I480 P481 A482 P486 T487 Y488	I480-L484 HydrophobicContact CG2-CB 4.18Å; P481-L484 HydrophobicContact CB-CD1 4.5Å; P481-L484 HydrophobicContact CG-CD1 4.23Å; P481-L484 PolarHBondContact O-N 3.33Å; A482-L484 VanDerWaalsContact C-N 3.26Å; A482-L484 PolarHBondContact O-N 3.13Å; L484-P486 VanDerWaalsContact C-CD 3.42Å; L484-P486 VanDerWaalsContact C-N 3.3Å; L484-T487 WeakPolarHBondContact O-CA 3.49Å; L484-T487 VanDerWaalsContact O-CB 3.23Å; L484-T487 WeakPolarHBondContact O-CB 3.46Å; L484-T487 PolarHBondContact O-N 3.27Å; L484-Y488 HydrophobicContact CB-CD2 4.16Å; L484-Y488 HydrophobicContact CB-CE2 3.75Å; L484-Y488 VanDerWaalsContact O-CD2 3.25Å; L484-Y488 WeakPolarHBondContact O-CD2 3.34Å; L484-Y488 PolarHBondContact O-N 3.13Å
485	K	96.9	Very high	97.9	Very high	78 Å²	78	58.1 Å²	58.1	34%	0.339	33%	0.327	S	S	.	.	H	α-helix	trans	-49.2	-42.8	179.5	-171.6	169.6	-174.1	169	0	113.3	A474 P481 A482 T487 Y488 V489	A474-K485 PolarHBondContact O-NZ 2.6Å; P481-K485 PolarHBondContact O-N 2.69Å; A482-K485 PolarHBondContact O-N 2.84Å; K485-T487 VanDerWaalsContact C-N 3.27Å; K485-T487 PolarHBondContact O-N 3.44Å; K485-Y488 PolarHBondContact O-N 3.14Å; K485-V489 HydrophobicContact CG-CG2 4.39Å; K485-V489 WeakPolarHBondContact O-CG2 3.46Å; K485-V489 PolarHBondContact O-N 3.35Å
486	P	98	Very high	97.9	Very high	90 Å²	90	55 Å²	55	58%	0.584	31%	0.308	S	S	*	.	H	α-helix	trans	-60.1	-32.8	175.2	-25	35.9	0	0	0	114.3	L484 K490	L484-P486 VanDerWaalsContact C-CD 3.42Å; L484-P486 VanDerWaalsContact C-N 3.3Å; P486-K490 WeakPolarHBondContact O-CB 3.31Å; P486-K490 PolarHBondContact O-N 2.91Å
487	T	98.3	Very high	98	Very high	48 Å²	48	53.3 Å²	53.3	29%	0.294	30%	0.299	S	S	.	.	H	α-helix	trans	-65.5	-49.3	175.3	-55.5	0	0	0	0	110.7	Y172 L484 K485 V489 K490 D491	Y172-T487 HydrophobicContact CD1-CG2 4.46Å; Y172-T487 HydrophobicContact CE1-CG2 4Å; Y172-T487 HydrophobicContact CE2-CG2 4.13Å; L484-T487 WeakPolarHBondContact O-CA 3.49Å; L484-T487 VanDerWaalsContact O-CB 3.23Å; L484-T487 WeakPolarHBondContact O-CB 3.46Å; L484-T487 PolarHBondContact O-N 3.27Å; K485-T487 VanDerWaalsContact C-N 3.27Å; K485-T487 PolarHBondContact O-N 3.44Å; T487-V489 PolarHBondContact O-N 3.23Å; T487-K490 CarbonylContact O-C 3.5Å; T487-K490 WeakPolarHBondContact O-CA 3.44Å; T487-K490 WeakPolarHBondContact O-CB 3.14Å; T487-K490 PolarHBondContact O-N 3.3Å; T487-K490 VanDerWaalsContact O-N 3.12Å; T487-D491 PolarHBondContact O-N 3.1Å
488	Y	98.6	Very high	98	Very high	9 Å²	9	53.1 Å²	53.1	4%	0.035	31%	0.305	C	S	.	.	H	α-helix	trans	-66.2	-35.6	179	-67	-87.3	0	0	0	112.9	Y172 A173 P175 M432 I480 L484 K485 K490 D491 Y492	Y172-Y488 HydrophobicContact CD2-CE1 4.16Å; Y172-Y488 HydrophobicContact CD2-CE2 4.42Å; Y172-Y488 AromaticContact CD2-CZ 3.93Å; Y172-Y488 HydrophobicContact CE2-CE1 4.2Å; A173-Y488 PolarHBondContact O-OH 3.21Å; P175-Y488 HydrophobicContact CG-CE1 4.29Å; M432-Y488 HydrophobicContact CB-CD1 4.14Å; M432-Y488 HydrophobicContact CB-CE1 4.35Å; M432-Y488 HydrophobicContact CG-CD1 3.84Å; M432-Y488 HydrophobicContact CG-CE1 4.22Å; M432-Y488 HydrophobicContact SD-CD1 4.27Å; I480-Y488 HydrophobicContact CB-CD2 4.47Å; I480-Y488 HydrophobicContact CB-CE2 4.27Å; I480-Y488 HydrophobicContact CD1-CD1 4Å; I480-Y488 HydrophobicContact CD1-CD2 3.89Å; I480-Y488 HydrophobicContact CD1-CE1 4.17Å; I480-Y488 HydrophobicContact CD1-CE2 4.07Å; I480-Y488 HydrophobicContact CD1-CG 3.82Å; I480-Y488 HydrophobicContact CG1-CD2 4.27Å; I480-Y488 HydrophobicContact CG1-CE2 4Å; I480-Y488 HydrophobicContact CG2-CD2 3.43Å; I480-Y488 VanDerWaalsContact CG2-CD2 3.43Å; I480-Y488 HydrophobicContact CG2-CE2 3.31Å; I480-Y488 HydrophobicContact CG2-CG 4.4Å; L484-Y488 HydrophobicContact CB-CD2 4.16Å; L484-Y488 HydrophobicContact CB-CE2 3.75Å; L484-Y488 VanDerWaalsContact O-CD2 3.25Å; L484-Y488 WeakPolarHBondContact O-CD2 3.34Å; L484-Y488 PolarHBondContact O-N 3.13Å; K485-Y488 PolarHBondContact O-N 3.14Å; Y488-K490 VanDerWaalsContact C-N 3.33Å; Y488-D491 PolarHBondContact O-N 3.06Å; Y488-Y492 VanDerWaalsContact O-CB 3.27Å; Y488-Y492 WeakPolarHBondContact O-CB 3.41Å; Y488-Y492 PolarHBondContact O-N 3.33Å
489	V	98.6	Very high	98.1	Very high	45 Å²	45	51.2 Å²	51.2	27%	0.273	30%	0.297	S	S	.	.	H	α-helix	trans	-61.9	-43.7	171.4	173.1	0	0	0	0	110.6	L473 K485 T487 D491 Y492 V493 V530	L473-V489 HydrophobicContact CD2-CB 4.45Å; L473-V489 HydrophobicContact CD2-CG2 3.87Å; L473-V489 HydrophobicContact CG-CG2 4.3Å; K485-V489 HydrophobicContact CG-CG2 4.39Å; K485-V489 WeakPolarHBondContact O-CG2 3.46Å; K485-V489 PolarHBondContact O-N 3.35Å; T487-V489 PolarHBondContact O-N 3.23Å; V489-D491 VanDerWaalsContact C-N 3.34Å; V489-D491 PolarHBondContact O-N 3.49Å; V489-Y492 PolarHBondContact O-N 2.89Å; V489-V493 WeakPolarHBondContact O-CG2 3.36Å; V489-V493 PolarHBondContact O-N 3.4Å; V489-V530 HydrophobicContact CG1-CG2 4.45Å
490	K	98.6	Very high	98.2	Very high	145 Å²	145	44.7 Å²	44.7	63%	0.63	26%	0.262	S	S	*	.	H	α-helix	trans	-62.3	-41.6	175.1	-176.4	-172	174	-167.2	0	111.7	P486 T487 Y488 V493 T494	P486-K490 WeakPolarHBondContact O-CB 3.31Å; P486-K490 PolarHBondContact O-N 2.91Å; T487-K490 CarbonylContact O-C 3.5Å; T487-K490 WeakPolarHBondContact O-CA 3.44Å; T487-K490 WeakPolarHBondContact O-CB 3.14Å; T487-K490 PolarHBondContact O-N 3.3Å; T487-K490 VanDerWaalsContact O-N 3.12Å; Y488-K490 VanDerWaalsContact C-N 3.33Å; K490-V493 PolarHBondContact O-N 3.44Å; K490-T494 VanDerWaalsContact O-CB 3.26Å; K490-T494 WeakPolarHBondContact O-CB 3.35Å; K490-T494 PolarHBondContact O-N 2.98Å; K490-T494 PolarHBondContact O-OG1 3.19Å
491	D	98.8	Very high	98.3	Very high	14 Å²	14	46.4 Å²	46.4	8%	0.075	27%	0.268	C	S	.	.	H	α-helix	trans	-64.4	-46.9	178.3	-72.8	-21.6	0	0	0	111.8	Y172 T435 T487 Y488 V489 V493 T494 L495	Y172-D491 PolarHBondContact OH-OD2 2.78Å; T435-D491 HydrophobicContact CG2-CB 3.58Å; T435-D491 PolarHBondContact OG1-OD1 3.12Å; T487-D491 PolarHBondContact O-N 3.1Å; Y488-D491 PolarHBondContact O-N 3.06Å; V489-D491 VanDerWaalsContact C-N 3.34Å; V489-D491 PolarHBondContact O-N 3.49Å; D491-V493 PolarHBondContact O-N 2.9Å; D491-T494 WeakPolarHBondContact O-CB 3.27Å; D491-T494 PolarHBondContact O-N 3.18Å; D491-T494 VanDerWaalsContact O-N 3.12Å; D491-L495 PolarHBondContact O-N 3.27Å
492	Y	98.9	Very high	98.4	Very high	5 Å²	5	50.5 Å²	50.5	2%	0.02	27%	0.274	C	S	.	.	H	α-helix	trans	-54.3	-51.7	174.5	-178.7	-86.6	0	0	0	111.4	N469 E470 L473 Y488 V489 T494 L495 Y496 V515 S516 W529 V530	N469-Y492 HydrophobicContact CB-CD2 4.37Å; N469-Y492 HydrophobicContact CB-CE2 3.94Å; E470-Y492 HydrophobicContact CB-CE2 4.45Å; E470-Y492 WeakPolarHBondContact CB-OH 3.37Å; L473-Y492 HydrophobicContact CD2-CD2 4.39Å; L473-Y492 HydrophobicContact CD2-CG 4.16Å; Y488-Y492 VanDerWaalsContact O-CB 3.27Å; Y488-Y492 WeakPolarHBondContact O-CB 3.41Å; Y488-Y492 PolarHBondContact O-N 3.33Å; V489-Y492 PolarHBondContact O-N 2.89Å; Y492-T494 VanDerWaalsContact C-N 3.31Å; Y492-T494 PolarHBondContact O-N 3.04Å; Y492-L495 PolarHBondContact O-N 3.04Å; Y492-Y496 HydrophobicContact CD1-CD2 4.09Å; Y492-Y496 AromaticContact CD2-CD2 3.35Å; Y492-Y496 HydrophobicContact CD2-CD2 3.35Å; Y492-Y496 AromaticContact CD2-CE2 3.35Å; Y492-Y496 HydrophobicContact CD2-CE2 3.35Å; Y492-Y496 HydrophobicContact CE1-CD2 4.12Å; Y492-Y496 AromaticContact CE2-CD2 3.36Å; Y492-Y496 HydrophobicContact CE2-CD2 3.36Å; Y492-Y496 AromaticContact CE2-CE2 3.51Å; Y492-Y496 HydrophobicContact CE2-CE2 3.51Å; Y492-Y496 HydrophobicContact CE2-CG 4.39Å; Y492-Y496 AromaticContact CG-CD2 3.7Å; Y492-Y496 HydrophobicContact CG-CD2 3.7Å; Y492-Y496 HydrophobicContact CG-CE2 4.06Å; Y492-Y496 AromaticContact CZ-CD2 3.76Å; Y492-Y496 WeakPolarHBondContact O-CD2 3.45Å; Y492-Y496 PolarHBondContact O-N 3.2Å; Y492-V515 HydrophobicContact CE1-CG2 3.75Å; Y492-V515 WeakPolarHBondContact OH-CG2 3.25Å; Y492-S516 WeakPolarHBondContact OH-CB 3.38Å; Y492-W529 HydrophobicContact CE1-CB 4.43Å; Y492-W529 WeakPolarHBondContact CE1-O 3.48Å; Y492-V530 HydrophobicContact CD1-CG2 3.67Å; Y492-V530 HydrophobicContact CE1-CG2 3.91Å; Y492-V530 HydrophobicContact CG-CG2 4.28Å
493	V	98.9	Very high	98.5	Very high	26 Å²	26	46.8 Å²	46.8	16%	0.158	24%	0.242	C	C	.	.	I	π-helix	trans	-64.6	-36.9	177.5	173.8	0	0	0	0	111.4	V489 K490 D491 V497 N498 W529	V489-V493 WeakPolarHBondContact O-CG2 3.36Å; V489-V493 PolarHBondContact O-N 3.4Å; K490-V493 PolarHBondContact O-N 3.44Å; D491-V493 PolarHBondContact O-N 2.9Å; V493-V497 HydrophobicContact CG1-CB 4.11Å; V493-V497 HydrophobicContact CG1-CG2 4.4Å; V493-V497 WeakPolarHBondContact O-CA 3.33Å; V493-V497 VanDerWaalsContact O-CB 3.28Å; V493-V497 WeakPolarHBondContact O-CB 3.49Å; V493-V497 PolarHBondContact O-N 3.34Å; V493-V497 VanDerWaalsContact O-N 3.08Å; V493-N498 PolarHBondContact O-N 3.04Å; V493-W529 HydrophobicContact CG2-CB 4.07Å; V493-W529 HydrophobicContact CG2-CG 4.27Å
494	T	98.8	Very high	98.5	Very high	37 Å²	37	42 Å²	42	23%	0.227	21%	0.208	C	C	.	.	I	π-helix	trans	-63.1	-46.1	178.7	-64.3	0	0	0	0	111.4	T435 I440 K490 D491 Y492 N499	T435-T494 HydrophobicContact CG2-CG2 4.43Å; I440-T494 HydrophobicContact CD1-CG2 4.34Å; K490-T494 VanDerWaalsContact O-CB 3.26Å; K490-T494 WeakPolarHBondContact O-CB 3.35Å; K490-T494 PolarHBondContact O-N 2.98Å; K490-T494 PolarHBondContact O-OG1 3.19Å; D491-T494 WeakPolarHBondContact O-CB 3.27Å; D491-T494 PolarHBondContact O-N 3.18Å; D491-T494 VanDerWaalsContact O-N 3.12Å; Y492-T494 VanDerWaalsContact C-N 3.31Å; Y492-T494 PolarHBondContact O-N 3.04Å; T494-N499 WeakPolarHBondContact O-CB 3.39Å; T494-N499 PolarHBondContact O-N 3.5Å
495	L	98.9	Very high	98.5	Very high	2 Å²	2	44 Å²	44	1%	0.01	22%	0.216	C	C	.	.	I	π-helix	trans	-73.5	-59.2	-179.7	-180	57.6	0	0	0	111.9	F428 Y433 I440 V443 D491 Y492 N499 I500	F428-L495 HydrophobicContact CD1-CD2 4.07Å; F428-L495 HydrophobicContact CE1-CD1 4.26Å; F428-L495 HydrophobicContact CE1-CD2 3.92Å; F428-L495 HydrophobicContact CZ-CD1 4.18Å; Y433-L495 HydrophobicContact CD2-CD2 4.4Å; Y433-L495 HydrophobicContact CG-CD2 4.16Å; I440-L495 HydrophobicContact CD1-CB 4.5Å; I440-L495 HydrophobicContact CD1-CD1 4.05Å; V443-L495 HydrophobicContact CB-CD1 4.49Å; V443-L495 HydrophobicContact CG1-CD1 3.86Å; V443-L495 HydrophobicContact CG2-CD1 4.43Å; D491-L495 PolarHBondContact O-N 3.27Å; Y492-L495 PolarHBondContact O-N 3.04Å; L495-N499 WeakPolarHBondContact O-CB 3.22Å; L495-I500 HydrophobicContact CD1-CD1 4.19Å; L495-I500 HydrophobicContact CG-CD1 4.32Å; L495-I500 WeakPolarHBondContact O-CG1 3.34Å; L495-I500 PolarHBondContact O-N 2.51Å
496	Y	98.9	Very high	98.5	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.016	23%	0.23	C	C	.	.	I	π-helix	trans	-81.7	-29.5	-168.1	-56.4	-63.8	0	0	0	113.4	F428 Y433 G465 N466 N469 Y492 I500 R501	F428-Y496 HydrophobicContact CB-CE1 3.95Å; F428-Y496 HydrophobicContact CD1-CE1 4.41Å; F428-Y496 HydrophobicContact CD2-CE1 4.16Å; F428-Y496 AromaticContact CG-CE1 3.92Å; F428-Y496 HydrophobicContact CG-CE1 3.92Å; Y433-Y496 WeakPolarHBondContact CD2-OH 3.33Å; G465-Y496 WeakPolarHBondContact O-CD1 3.46Å; G465-Y496 WeakPolarHBondContact O-CE1 3.24Å; N466-Y496 HydrophobicContact CB-CD1 4.25Å; N466-Y496 HydrophobicContact CB-CE1 3.69Å; N469-Y496 HydrophobicContact CB-CE2 4.48Å; N469-Y496 PolarHBondContact ND2-OH 2.6Å; Y492-Y496 HydrophobicContact CD1-CD2 4.09Å; Y492-Y496 AromaticContact CD2-CD2 3.35Å; Y492-Y496 HydrophobicContact CD2-CD2 3.35Å; Y492-Y496 AromaticContact CD2-CE2 3.35Å; Y492-Y496 HydrophobicContact CD2-CE2 3.35Å; Y492-Y496 HydrophobicContact CE1-CD2 4.12Å; Y492-Y496 AromaticContact CE2-CD2 3.36Å; Y492-Y496 HydrophobicContact CE2-CD2 3.36Å; Y492-Y496 AromaticContact CE2-CE2 3.51Å; Y492-Y496 HydrophobicContact CE2-CE2 3.51Å; Y492-Y496 HydrophobicContact CE2-CG 4.39Å; Y492-Y496 AromaticContact CG-CD2 3.7Å; Y492-Y496 HydrophobicContact CG-CD2 3.7Å; Y492-Y496 HydrophobicContact CG-CE2 4.06Å; Y492-Y496 AromaticContact CZ-CD2 3.76Å; Y492-Y496 WeakPolarHBondContact O-CD2 3.45Å; Y492-Y496 PolarHBondContact O-N 3.2Å; Y496-I500 HydrophobicContact CD1-CD1 3.87Å; Y496-I500 HydrophobicContact CE1-CD1 4.28Å; Y496-R501 VanDerWaalsContact O-CB 3.31Å; Y496-R501 WeakPolarHBondContact O-CB 3.24Å; Y496-R501 PolarHBondContact O-N 2.81Å
497	V	98.8	Very high	98.4	Very high	12 Å²	12	43.9 Å²	43.9	7%	0.073	21%	0.209	C	C	.	.	I	π-helix	trans	-103.3	-58.6	-174.4	-176.8	0	0	0	0	111.3	V493 N499 R502 V515 W529	V493-V497 HydrophobicContact CG1-CB 4.11Å; V493-V497 HydrophobicContact CG1-CG2 4.4Å; V493-V497 WeakPolarHBondContact O-CA 3.33Å; V493-V497 VanDerWaalsContact O-CB 3.28Å; V493-V497 WeakPolarHBondContact O-CB 3.49Å; V493-V497 PolarHBondContact O-N 3.34Å; V493-V497 VanDerWaalsContact O-N 3.08Å; V497-N499 PolarHBondContact O-N 2.88Å; V497-R502 PolarHBondContact O-N 3.2Å; V497-V515 HydrophobicContact CG2-CG2 3.89Å; V497-W529 HydrophobicContact CB-CD2 4.39Å; V497-W529 HydrophobicContact CG1-CD2 4.01Å; V497-W529 HydrophobicContact CG1-CE3 4.37Å; V497-W529 HydrophobicContact CG1-CH2 4.19Å; V497-W529 HydrophobicContact CG1-CZ2 3.79Å; V497-W529 HydrophobicContact CG1-CZ3 4.42Å; V497-W529 HydrophobicContact CG2-CB 4.04Å; V497-W529 HydrophobicContact CG2-CD2 3.49Å; V497-W529 VanDerWaalsContact CG2-CD2 3.49Å; V497-W529 HydrophobicContact CG2-CE3 3.68Å; V497-W529 HydrophobicContact CG2-CG 3.63Å; V497-W529 HydrophobicContact CG2-CZ3 4.36Å
498	N	98.6	Very high	98.4	Very high	95 Å²	95	41.6 Å²	41.6	51%	0.508	20%	0.195	S	C	.	.	I	π-helix	trans	-72.4	-20.9	-174.1	-64.9	-31	0	0	0	112.9	V493	V493-N498 PolarHBondContact O-N 3.04Å
499	N	98.8	Very high	98.1	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.027	22%	0.219	C	C	.	.	I	π-helix	trans	-107.7	-75.2	175.3	-167.8	-66.1	0	0	0	111.6	I440 R444 T494 L495 V497 R502 I503	I440-N499 VanDerWaalsContact CG2-ND2 3.26Å; I440-N499 WeakPolarHBondContact CG2-ND2 3.42Å; I440-N499 PolarHBondContact O-ND2 2.84Å; R444-N499 PolarHBondContact NH2-ND2 3.43Å; T494-N499 WeakPolarHBondContact O-CB 3.39Å; T494-N499 PolarHBondContact O-N 3.5Å; L495-N499 WeakPolarHBondContact O-CB 3.22Å; V497-N499 PolarHBondContact O-N 2.88Å; N499-R502 PolarHBondContact O-N 3.43Å; N499-I503 WeakPolarHBondContact O-CD1 3.27Å; N499-I503 VanDerWaalsContact O-CG1 3.27Å; N499-I503 WeakPolarHBondContact O-CG1 3.31Å; N499-I503 PolarHBondContact O-N 2.93Å; N499-I503 VanDerWaalsContact OD1-CD1 3.24Å; N499-I503 WeakPolarHBondContact OD1-CD1 3.21Å
500	I	98.9	Very high	98	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.216	C	C	.	.	I	π-helix	trans	-62.3	-58.4	-168.7	-61.7	174.8	0	0	0	112.2	F426 F428 V443 V447 L495 Y496 R502 I503 V504 F513	F426-I500 HydrophobicContact CD1-CG2 4.17Å; F426-I500 HydrophobicContact CD2-CG2 3.59Å; F426-I500 HydrophobicContact CE1-CG2 4.26Å; F426-I500 HydrophobicContact CE2-CG2 3.64Å; F426-I500 HydrophobicContact CG-CG2 3.89Å; F426-I500 HydrophobicContact CZ-CG2 4.01Å; F428-I500 HydrophobicContact CD2-CD1 4.01Å; F428-I500 HydrophobicContact CE2-CD1 3.53Å; F428-I500 HydrophobicContact CZ-CD1 4.17Å; V443-I500 HydrophobicContact CG1-CD1 4.39Å; V443-I500 HydrophobicContact CG1-CG1 4.26Å; V447-I500 HydrophobicContact CG1-CG2 4.22Å; V447-I500 HydrophobicContact CG2-CD1 4.48Å; V447-I500 HydrophobicContact CG2-CG1 3.88Å; V447-I500 HydrophobicContact CG2-CG2 4.45Å; L495-I500 HydrophobicContact CD1-CD1 4.19Å; L495-I500 HydrophobicContact CG-CD1 4.32Å; L495-I500 WeakPolarHBondContact O-CG1 3.34Å; L495-I500 PolarHBondContact O-N 2.51Å; Y496-I500 HydrophobicContact CD1-CD1 3.87Å; Y496-I500 HydrophobicContact CE1-CD1 4.28Å; I500-R502 VanDerWaalsContact C-N 3.27Å; I500-R502 PolarHBondContact O-N 2.87Å; I500-I503 PolarHBondContact O-N 3.09Å; I500-I503 VanDerWaalsContact O-N 3.09Å; I500-V504 HydrophobicContact CG2-CG2 4.4Å; I500-V504 WeakPolarHBondContact O-CG2 3.26Å; I500-V504 PolarHBondContact O-N 3.03Å; I500-F513 HydrophobicContact CG2-CE2 3.91Å; I500-F513 HydrophobicContact CG2-CZ 4.22Å
501	R	98.7	Very high	97.9	Very high	44 Å²	44	38.7 Å²	38.7	17%	0.166	19%	0.19	C	C	.	.	I	π-helix	trans	-54.2	-44.9	179.1	-176	173.6	-176	-89.7	15.3	111.9	Y496 I503 V504 Q505 F513 E525	Y496-R501 VanDerWaalsContact O-CB 3.31Å; Y496-R501 WeakPolarHBondContact O-CB 3.24Å; Y496-R501 PolarHBondContact O-N 2.81Å; R501-I503 VanDerWaalsContact C-N 3.32Å; R501-I503 PolarHBondContact O-N 3.03Å; R501-V504 PolarHBondContact O-N 3.01Å; R501-Q505 HydrophobicContact CG-CG 4.32Å; R501-Q505 VanDerWaalsContact NH1-OE1 3.11Å; R501-Q505 WeakPolarHBondContact O-CB 3.13Å; R501-Q505 VanDerWaalsContact O-CG 3.31Å; R501-Q505 WeakPolarHBondContact O-CG 3.39Å; R501-Q505 PolarHBondContact O-N 3.06Å; R501-F513 HydrophobicContact CB-CD1 3.81Å; R501-F513 HydrophobicContact CB-CE1 3.39Å; R501-F513 HydrophobicContact CB-CE2 4.28Å; R501-F513 HydrophobicContact CB-CG 4.4Å; R501-F513 HydrophobicContact CB-CZ 3.66Å; R501-F513 HydrophobicContact CG-CD1 3.44Å; R501-F513 VanDerWaalsContact CG-CD1 3.44Å; R501-F513 HydrophobicContact CG-CE1 3.57Å; R501-F513 HydrophobicContact CG-CG 4.03Å; R501-F513 HydrophobicContact CG-CZ 4.26Å; R501-E525 IonicContact CZ-OE1 2.91Å; R501-E525 IonicContact NE-OE1 2.71Å; R501-E525 PolarHBondContact NE-OE1 2.74Å; R501-E525 IonicContact NH2-OE1 2.74Å; R501-E525 PolarHBondContact NH2-OE1 2.67Å; R501-E525 IonicContact NH2-OE2 2.6Å; R501-E525 PolarHBondContact NH2-OE2 2.9Å
502	R	98.5	Very high	97.9	Very high	156 Å²	156	39.3 Å²	39.3	59%	0.589	20%	0.195	S	C	*	.	H	α-helix	trans	-59.9	-41.8	179.6	-176.3	175.6	-178.4	154	1.4	111.9	V497 N499 I500 Q506	V497-R502 PolarHBondContact O-N 3.2Å; N499-R502 PolarHBondContact O-N 3.43Å; I500-R502 VanDerWaalsContact C-N 3.27Å; I500-R502 PolarHBondContact O-N 2.87Å; R502-Q506 VanDerWaalsContact O-CG 3.22Å; R502-Q506 WeakPolarHBondContact O-CG 3.29Å; R502-Q506 PolarHBondContact O-N 3.22Å
503	I	98.7	Very high	97.9	Very high	11 Å²	11	40.1 Å²	40.1	6%	0.056	20%	0.199	C	C	.	.	H	α-helix	trans	-66.9	-48.1	176.5	-66	160.2	0	0	0	110.2	R444 V447 V448 N499 I500 R501 Q505 Q506 E507	R444-I503 HydrophobicContact CB-CD1 4.2Å; R444-I503 HydrophobicContact CG-CD1 3.85Å; V447-I503 HydrophobicContact CB-CD1 4.09Å; V447-I503 HydrophobicContact CB-CG2 4.45Å; V447-I503 HydrophobicContact CG1-CB 3.87Å; V447-I503 HydrophobicContact CG1-CD1 4Å; V447-I503 HydrophobicContact CG1-CG2 3.66Å; V448-I503 HydrophobicContact CB-CG2 4.38Å; V448-I503 HydrophobicContact CG2-CD1 4.33Å; V448-I503 HydrophobicContact CG2-CG1 4.36Å; V448-I503 HydrophobicContact CG2-CG2 3.54Å; N499-I503 WeakPolarHBondContact O-CD1 3.27Å; N499-I503 VanDerWaalsContact O-CG1 3.27Å; N499-I503 WeakPolarHBondContact O-CG1 3.31Å; N499-I503 PolarHBondContact O-N 2.93Å; N499-I503 VanDerWaalsContact OD1-CD1 3.24Å; N499-I503 WeakPolarHBondContact OD1-CD1 3.21Å; I500-I503 PolarHBondContact O-N 3.09Å; I500-I503 VanDerWaalsContact O-N 3.09Å; R501-I503 VanDerWaalsContact C-N 3.32Å; R501-I503 PolarHBondContact O-N 3.03Å; I503-Q505 VanDerWaalsContact C-N 3.32Å; I503-Q505 PolarHBondContact O-N 3.16Å; I503-Q506 WeakPolarHBondContact O-CB 3.46Å; I503-Q506 PolarHBondContact O-N 2.77Å; I503-Q506 VanDerWaalsContact O-N 3.08Å; I503-E507 HydrophobicContact CG2-CG 4.11Å; I503-E507 WeakPolarHBondContact O-CB 3.39Å; I503-E507 WeakPolarHBondContact O-CG 3.28Å; I503-E507 PolarHBondContact O-N 3.09Å
504	V	98.7	Very high	97.9	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	19%	0.192	C	C	.	.	H	α-helix	trans	-57.1	-46.2	179.4	174.2	0	0	0	0	111	F426 V451 W463 I500 R501 Q506 E507 D508 F513	F426-V504 HydrophobicContact CE2-CG2 3.69Å; F426-V504 HydrophobicContact CZ-CG2 3.47Å; F426-V504 VanDerWaalsContact CZ-CG2 3.47Å; V451-V504 HydrophobicContact CG2-CG2 3.92Å; W463-V504 HydrophobicContact CB-CG1 4.18Å; W463-V504 HydrophobicContact CG-CG1 3.87Å; I500-V504 HydrophobicContact CG2-CG2 4.4Å; I500-V504 WeakPolarHBondContact O-CG2 3.26Å; I500-V504 PolarHBondContact O-N 3.03Å; R501-V504 PolarHBondContact O-N 3.01Å; V504-Q506 PolarHBondContact O-N 2.85Å; V504-E507 PolarHBondContact O-N 3.37Å; V504-D508 CarbonylContact O-C 3.45Å; V504-D508 WeakPolarHBondContact O-CA 3.22Å; V504-D508 PolarHBondContact O-N 2.95Å; V504-F513 HydrophobicContact CB-CD2 4.09Å; V504-F513 HydrophobicContact CG1-CB 4.5Å; V504-F513 HydrophobicContact CG1-CD2 4.05Å; V504-F513 HydrophobicContact CG2-CD2 4.05Å; V504-F513 HydrophobicContact CG2-CE2 4.18Å
505	Q	97.3	Very high	97.8	Very high	98 Å²	98	37.6 Å²	37.6	46%	0.458	18%	0.183	S	C	.	.	H	α-helix	trans	-65.1	-27.4	179.3	-72.3	-179.4	-32.9	0	0	113.8	R501 I503	R501-Q505 HydrophobicContact CG-CG 4.32Å; R501-Q505 VanDerWaalsContact NH1-OE1 3.11Å; R501-Q505 WeakPolarHBondContact O-CB 3.13Å; R501-Q505 VanDerWaalsContact O-CG 3.31Å; R501-Q505 WeakPolarHBondContact O-CG 3.39Å; R501-Q505 PolarHBondContact O-N 3.06Å; I503-Q505 VanDerWaalsContact C-N 3.32Å; I503-Q505 PolarHBondContact O-N 3.16Å
506	Q	96.4	Very high	97.8	Very high	134 Å²	134	37.5 Å²	37.5	63%	0.626	18%	0.182	S	C	*	.	H	α-helix	trans	-78.8	-38.3	175.2	-72.4	173.5	-6.3	0	0	111.8	R502 I503 V504	R502-Q506 VanDerWaalsContact O-CG 3.22Å; R502-Q506 WeakPolarHBondContact O-CG 3.29Å; R502-Q506 PolarHBondContact O-N 3.22Å; I503-Q506 WeakPolarHBondContact O-CB 3.46Å; I503-Q506 PolarHBondContact O-N 2.77Å; I503-Q506 VanDerWaalsContact O-N 3.08Å; V504-Q506 PolarHBondContact O-N 2.85Å
507	E	96.5	Very high	97.8	Very high	30 Å²	30	37.3 Å²	37.3	14%	0.14	18%	0.182	C	C	.	.	H	α-helix	trans	-88.5	-37.4	-173.5	-73.5	-69	166.8	0	0	113.7	V451 Q452 K455 I503 V504	V451-E507 HydrophobicContact CB-CB 4.29Å; V451-E507 HydrophobicContact CG1-CB 3.53Å; V451-E507 HydrophobicContact CG1-CG 4.45Å; Q452-E507 WeakPolarHBondContact CG-OE2 3.38Å; Q452-E507 PolarHBondContact NE2-OE1 3.43Å; Q452-E507 PolarHBondContact NE2-OE2 2.87Å; K455-E507 VanDerWaalsContact CD-O 3.24Å; K455-E507 WeakPolarHBondContact CD-O 3.37Å; K455-E507 WeakPolarHBondContact CE-O 3.26Å; K455-E507 PolarHBondContact NZ-O 2.92Å; K455-E507 IonicContact NZ-OE2 3.54Å; K455-E507 PolarHBondContact NZ-OE2 3.19Å; I503-E507 HydrophobicContact CG2-CG 4.11Å; I503-E507 WeakPolarHBondContact O-CB 3.39Å; I503-E507 WeakPolarHBondContact O-CG 3.28Å; I503-E507 PolarHBondContact O-N 3.09Å; V504-E507 PolarHBondContact O-N 3.37Å
508	D	97.4	Very high	97.8	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	18%	0.178	C	C	.	.			trans	-138.5	89.2	-175.9	-178	13.6	0	0	0	111.9	V451 K455 W463 V504 S510 R511	V451-D508 HydrophobicContact CG1-CB 4.06Å; K455-D508 HydrophobicContact CB-CB 4.03Å; K455-D508 HydrophobicContact CD-CB 4.27Å; W463-D508 PolarHBondContact NE1-OD2 3.49Å; V504-D508 CarbonylContact O-C 3.45Å; V504-D508 WeakPolarHBondContact O-CA 3.22Å; V504-D508 PolarHBondContact O-N 2.95Å; D508-S510 PolarHBondContact O-N 2.86Å; D508-S510 WeakPolarHBondContact OD1-CB 3.37Å; D508-S510 PolarHBondContact OD1-N 3.45Å; D508-S510 PolarHBondContact OD1-OG 2.71Å; D508-R511 IonicContact OD1-NH1 3.24Å; D508-R511 PolarHBondContact OD1-NH1 3.23Å; D508-R511 WeakPolarHBondContact OD2-CD 3.36Å; D508-R511 IonicContact OD2-CZ 2.95Å; D508-R511 IonicContact OD2-NE 3.31Å; D508-R511 IonicContact OD2-NH1 2.87Å; D508-R511 PolarHBondContact OD2-NH1 2.75Å
509	P	93.5	Very high	97.8	Very high	84 Å²	84	32.2 Å²	32.2	55%	0.545	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	1	175.3	33.5	-37.7	0	0	0	113.6	L232	L232-P509 HydrophobicContact CD2-CG 4.26Å
510	S	95.1	Very high	97.8	Very high	28 Å²	28	32.1 Å²	32.1	20%	0.196	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-11.2	-172.1	76.6	0	0	0	0	114.4	L232 D508	L232-S510 VanDerWaalsContact CD1-OG 3.25Å; L232-S510 WeakPolarHBondContact CD1-OG 3.42Å; D508-S510 PolarHBondContact O-N 2.86Å; D508-S510 WeakPolarHBondContact OD1-CB 3.37Å; D508-S510 PolarHBondContact OD1-N 3.45Å; D508-S510 PolarHBondContact OD1-OG 2.71Å
511	R	98	Very high	97.8	Very high	26 Å²	26	32.5 Å²	32.5	10%	0.098	16%	0.157	C	C	.	.	S	Bend	trans	-125.9	149.9	-174.6	-64.5	-179.8	-176.7	75.2	0	111.6	V337 K455 H457 I460 D508	V337-R511 HydrophobicContact CG1-CG 4.03Å; K455-R511 VanDerWaalsContact O-CZ 3.26Å; K455-R511 PolarHBondContact O-NH1 3.31Å; K455-R511 PolarHBondContact O-NH2 3.15Å; H457-R511 PolarHBondContact O-NH2 3.06Å; I460-R511 VanDerWaalsContact O-CD 3.25Å; I460-R511 WeakPolarHBondContact O-CD 3.26Å; I460-R511 PolarHBondContact O-NE 3.06Å; D508-R511 IonicContact OD1-NH1 3.24Å; D508-R511 PolarHBondContact OD1-NH1 3.23Å; D508-R511 WeakPolarHBondContact OD2-CD 3.36Å; D508-R511 IonicContact OD2-CZ 2.95Å; D508-R511 IonicContact OD2-NE 3.31Å; D508-R511 IonicContact OD2-NH1 2.87Å; D508-R511 PolarHBondContact OD2-NH1 2.75Å
512	P	97.9	Very high	97.8	Very high	26 Å²	26	31.6 Å²	31.6	17%	0.169	16%	0.16	C	C	.	.			trans	-64.4	155.8	169.1	27.3	-33.7	0	0	0	111.8	L339 F354 I461 I462 W463	L339-P512 HydrophobicContact CB-CB 3.73Å; L339-P512 HydrophobicContact CB-CG 3.81Å; L339-P512 HydrophobicContact CD2-CB 4.26Å; F354-P512 HydrophobicContact CE1-CG 4.22Å; I461-P512 WeakPolarHBondContact O-CD 3.35Å; I461-P512 WeakPolarHBondContact O-CG 3.46Å; I462-P512 HydrophobicContact CB-CG 4.1Å; I462-P512 HydrophobicContact CD1-CB 4.09Å; I462-P512 HydrophobicContact CD1-CG 3.83Å; I462-P512 HydrophobicContact CG1-CB 4.25Å; I462-P512 HydrophobicContact CG1-CG 3.85Å; W463-P512 PolarHBondContact N-O 2.88Å; W463-P512 VanDerWaalsContact N-O 3.11Å
513	F	98.6	Very high	97.8	Very high	22 Å²	22	26.1 Å²	26.1	10%	0.096	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	133.2	171.5	176.2	-85.8	0	0	0	109.5	F426 W463 I500 R501 V504 V515	F426-F513 HydrophobicContact CE2-CE2 4.18Å; W463-F513 HydrophobicContact CB-CD2 3.85Å; W463-F513 CarbonylContact O-C 3.48Å; W463-F513 VanDerWaalsContact O-CA 3.29Å; W463-F513 WeakPolarHBondContact O-CA 3.24Å; I500-F513 HydrophobicContact CG2-CE2 3.91Å; I500-F513 HydrophobicContact CG2-CZ 4.22Å; R501-F513 HydrophobicContact CB-CD1 3.81Å; R501-F513 HydrophobicContact CB-CE1 3.39Å; R501-F513 HydrophobicContact CB-CE2 4.28Å; R501-F513 HydrophobicContact CB-CG 4.4Å; R501-F513 HydrophobicContact CB-CZ 3.66Å; R501-F513 HydrophobicContact CG-CD1 3.44Å; R501-F513 VanDerWaalsContact CG-CD1 3.44Å; R501-F513 HydrophobicContact CG-CE1 3.57Å; R501-F513 HydrophobicContact CG-CG 4.03Å; R501-F513 HydrophobicContact CG-CZ 4.26Å; V504-F513 HydrophobicContact CB-CD2 4.09Å; V504-F513 HydrophobicContact CG1-CB 4.5Å; V504-F513 HydrophobicContact CG1-CD2 4.05Å; V504-F513 HydrophobicContact CG2-CD2 4.05Å; V504-F513 HydrophobicContact CG2-CE2 4.18Å; F513-V515 HydrophobicContact CE1-CB 4.46Å
514	L	98.2	Very high	97.8	Very high	5 Å²	5	25.6 Å²	25.6	3%	0.026	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	145	169.7	-61.3	172.8	0	0	0	109.7	L339 F352 W423 I462 W463 S464 G465 T519	L339-L514 HydrophobicContact CD2-CD2 3.8Å; F352-L514 HydrophobicContact CE2-CD1 4.25Å; F352-L514 HydrophobicContact CE2-CD2 4Å; F352-L514 HydrophobicContact CZ-CD1 3.73Å; F352-L514 HydrophobicContact CZ-CD2 4.31Å; W423-L514 HydrophobicContact CH2-CD1 3.66Å; W423-L514 HydrophobicContact CZ2-CD1 3.48Å; W423-L514 VanDerWaalsContact CZ2-CD1 3.48Å; I462-L514 HydrophobicContact CD1-CD1 3.46Å; I462-L514 VanDerWaalsContact CD1-CD1 3.46Å; I462-L514 HydrophobicContact CD1-CD2 4.32Å; I462-L514 HydrophobicContact CD1-CG 3.59Å; I462-L514 HydrophobicContact CG1-CD1 4.23Å; I462-L514 HydrophobicContact CG1-CG 4.2Å; W463-L514 PolarHBondContact O-N 2.81Å; S464-L514 CarbonylContact C-O 3.53Å; S464-L514 WeakPolarHBondContact CA-O 3.3Å; G465-L514 PolarHBondContact N-O 3.36Å; L514-T519 HydrophobicContact CB-CG2 4.22Å; L514-T519 HydrophobicContact CD1-CG2 4.31Å; L514-T519 HydrophobicContact CD2-CG2 4.07Å; L514-T519 HydrophobicContact CG-CG2 4.41Å
515	V	98.3	Very high	97.7	Very high	5 Å²	5	29 Å²	29	3%	0.03	15%	0.154	C	C	.	.	S	Bend	trans	-74.5	-31.2	179.4	72.2	0	0	0	0	112.5	G465 N466 Y492 V497 F513 W529	G465-V515 WeakPolarHBondContact CA-O 3.45Å; N466-V515 PolarHBondContact ND2-O 3.39Å; Y492-V515 HydrophobicContact CE1-CG2 3.75Å; Y492-V515 WeakPolarHBondContact OH-CG2 3.25Å; V497-V515 HydrophobicContact CG2-CG2 3.89Å; F513-V515 HydrophobicContact CE1-CB 4.46Å; V515-W529 HydrophobicContact CB-CE3 4.41Å; V515-W529 HydrophobicContact CG2-CE3 4.42Å
516	S	98.9	Very high	97.8	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-155.7	173.6	-178	173.3	0	0	0	0	110.2	N466 E470 Y492 P518 T519	N466-S516 WeakPolarHBondContact OD1-CB 3.34Å; N466-S516 PolarHBondContact OD1-OG 2.97Å; E470-S516 VanDerWaalsContact CB-CB 3.42Å; E470-S516 VanDerWaalsContact CB-OG 3.3Å; E470-S516 WeakPolarHBondContact CB-OG 3.49Å; E470-S516 PolarHBondContact N-OG 2.77Å; Y492-S516 WeakPolarHBondContact OH-CB 3.38Å; S516-P518 PolarHBondContact OG-O 2.93Å; S516-P518 VanDerWaalsContact OG-O 3.13Å; S516-T519 VanDerWaalsContact O-CB 3.31Å; S516-T519 WeakPolarHBondContact O-CB 3.36Å; S516-T519 WeakPolarHBondContact O-CG2 3.44Å
517	S	98.9	Very high	97.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-141.9	117.9	166.5	-176.2	0	0	0	0	107.9	W423 N466 E468 D541 H543	W423-S517 WeakPolarHBondContact CZ2-OG 2.84Å; N466-S517 PolarHBondContact O-N 3.24Å; E468-S517 WeakPolarHBondContact CA-O 3.09Å; E468-S517 PolarHBondContact N-O 3.39Å; S517-D541 PolarHBondContact OG-OD2 3.05Å; S517-H543 PolarHBondContact O-CE1 2.86Å; S517-H543 VanDerWaalsContact O-CE1 3.28Å; S517-H543 PolarHBondContact OG-NE2 3.36Å
518	P	98.8	Very high	97.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.161	C	C	.	.	S	Bend	cis	-71	158.3	0.7	33.5	-33.4	0	0	0	111.4	A471 S516 Y535 D541 H543	A471-P518 HydrophobicContact CB-CG 4.17Å; S516-P518 PolarHBondContact OG-O 2.93Å; S516-P518 VanDerWaalsContact OG-O 3.13Å; P518-Y535 HydrophobicContact CG-CD1 4.18Å; P518-Y535 HydrophobicContact CG-CE1 3.75Å; P518-D541 WeakPolarHBondContact CB-O 3.38Å; P518-H543 HydrophobicContact CG-CB 4.46Å
519	T	98.8	Very high	97.9	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.006	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-152.2	157.4	174	-172	0	0	0	0	109.6	E470 L514 S516 G521 S524 G540 D541	E470-T519 WeakPolarHBondContact OE2-CB 3.38Å; E470-T519 PolarHBondContact OE2-OG1 2.87Å; L514-T519 HydrophobicContact CB-CG2 4.22Å; L514-T519 HydrophobicContact CD1-CG2 4.31Å; L514-T519 HydrophobicContact CD2-CG2 4.07Å; L514-T519 HydrophobicContact CG-CG2 4.41Å; S516-T519 VanDerWaalsContact O-CB 3.31Å; S516-T519 WeakPolarHBondContact O-CB 3.36Å; S516-T519 WeakPolarHBondContact O-CG2 3.44Å; T519-G521 PolarHBondContact O-N 2.81Å; T519-G521 PolarHBondContact OG1-N 2.81Å; T519-S524 PolarHBondContact OG1-OG 2.96Å; T519-S524 VanDerWaalsContact OG1-OG 3.14Å; T519-G540 WeakPolarHBondContact O-CA 3.25Å; T519-D541 WeakPolarHBondContact CG2-OD1 3.27Å; T519-D541 PolarHBondContact N-OD1 2.8Å; T519-D541 PolarHBondContact O-N 2.97Å; T519-D541 VanDerWaalsContact O-N 3.1Å
520	N	98.8	Very high	98.1	Very high	3 Å²	3	28 Å²	28	2%	0.016	15%	0.151	C	C	.	.			trans	-85.6	7.1	169.4	-64.5	-13.1	0	0	0	112.2	A522 E523 S524 A531 N533 Y539	N520-A522 PolarHBondContact O-N 2.9Å; N520-E523 HydrophobicContact CB-CB 3.85Å; N520-E523 HydrophobicContact CB-CG 4.44Å; N520-E523 PolarHBondContact O-N 2.82Å; N520-S524 WeakPolarHBondContact CB-OG 3.37Å; N520-S524 PolarHBondContact N-OG 2.61Å; N520-A531 HydrophobicContact CB-CB 4.33Å; N520-A531 WeakPolarHBondContact ND2-CB 3.48Å; N520-N533 PolarHBondContact ND2-O 3.23Å; N520-N533 PolarHBondContact OD1-O 2.76Å; N520-Y539 HydrophobicContact CB-CG 4.27Å
521	G	98.2	Very high	98.2	Very high	7 Å²	7	26.7 Å²	26.7	7%	0.072	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	-119.4	175.2	0	0	0	0	0	112.1	T519 E523 S524 E525	T519-G521 PolarHBondContact O-N 2.81Å; T519-G521 PolarHBondContact OG1-N 2.81Å; G521-E523 PolarHBondContact O-N 2.85Å; G521-S524 WeakPolarHBondContact O-CB 3.27Å; G521-S524 PolarHBondContact O-N 3.3Å; G521-S524 VanDerWaalsContact O-N 3.15Å; G521-E525 PolarHBondContact O-N 2.86Å; G521-E525 VanDerWaalsContact O-N 3.14Å
522	A	98.2	Very high	98.2	Very high	26 Å²	26	29.5 Å²	29.5	22%	0.215	17%	0.17	C	C	.	.	H	α-helix	trans	-60.5	-27.5	179.5	0	0	0	0	0	113	L350 N520 Q526	L350-A522 HydrophobicContact CD1-CB 4.15Å; N520-A522 PolarHBondContact O-N 2.9Å; A522-Q526 WeakPolarHBondContact O-CG 3.45Å; A522-Q526 PolarHBondContact O-N 2.8Å; A522-Q526 PolarHBondContact O-NE2 3.3Å
523	E	98.4	Very high	98.2	Very high	41 Å²	41	31.6 Å²	31.6	19%	0.192	18%	0.18	C	C	.	.	H	α-helix	trans	-73.7	-42.7	175.3	-170.7	67.6	-154.2	0	0	111	N520 G521 E525 Q526 E527 Y539	N520-E523 HydrophobicContact CB-CB 3.85Å; N520-E523 HydrophobicContact CB-CG 4.44Å; N520-E523 PolarHBondContact O-N 2.82Å; G521-E523 PolarHBondContact O-N 2.85Å; E523-E525 PolarHBondContact O-N 3.4Å; E523-Q526 WeakPolarHBondContact O-CA 3.33Å; E523-Q526 WeakPolarHBondContact O-CB 3.48Å; E523-Q526 PolarHBondContact O-N 2.79Å; E523-E527 WeakPolarHBondContact O-CG 3.39Å; E523-E527 PolarHBondContact O-N 2.73Å; E523-Y539 HydrophobicContact CB-CD1 3.6Å; E523-Y539 HydrophobicContact CB-CE1 3.73Å; E523-Y539 HydrophobicContact CB-CG 4.14Å; E523-Y539 HydrophobicContact CG-CD1 4.06Å; E523-Y539 HydrophobicContact CG-CE1 3.76Å; E523-Y539 HydrophobicContact CG-CE2 4.39Å; E523-Y539 HydrophobicContact CG-CG 4.44Å; E523-Y539 WeakPolarHBondContact OE2-CE1 3.47Å
524	S	98.3	Very high	98.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-56.5	-39.6	172.1	-68.1	0	0	0	0	111.4	E470 T519 N520 G521 Q526 E527 G528 W529 A531	E470-S524 VanDerWaalsContact OE1-CB 3.27Å; E470-S524 WeakPolarHBondContact OE1-CB 3.24Å; E470-S524 PolarHBondContact OE1-OG 2.73Å; T519-S524 PolarHBondContact OG1-OG 2.96Å; T519-S524 VanDerWaalsContact OG1-OG 3.14Å; N520-S524 WeakPolarHBondContact CB-OG 3.37Å; N520-S524 PolarHBondContact N-OG 2.61Å; G521-S524 WeakPolarHBondContact O-CB 3.27Å; G521-S524 PolarHBondContact O-N 3.3Å; G521-S524 VanDerWaalsContact O-N 3.15Å; S524-Q526 VanDerWaalsContact C-N 3.33Å; S524-Q526 PolarHBondContact O-N 2.83Å; S524-E527 PolarHBondContact O-N 2.83Å; S524-G528 PolarHBondContact O-N 2.86Å; S524-W529 WeakPolarHBondContact O-CA 3.46Å; S524-W529 PolarHBondContact O-N 3.48Å; S524-A531 WeakPolarHBondContact OG-CB 3.23Å
525	E	97.9	Very high	98.2	Very high	72 Å²	72	33.4 Å²	33.4	34%	0.336	19%	0.187	S	C	.	.	H	α-helix	trans	-61.2	-40.8	174.5	-54.7	-154.8	157.2	0	0	112	R501 G521 E523 G528 W529	R501-E525 IonicContact CZ-OE1 2.91Å; R501-E525 IonicContact NE-OE1 2.71Å; R501-E525 PolarHBondContact NE-OE1 2.74Å; R501-E525 IonicContact NH2-OE1 2.74Å; R501-E525 PolarHBondContact NH2-OE1 2.67Å; R501-E525 IonicContact NH2-OE2 2.6Å; R501-E525 PolarHBondContact NH2-OE2 2.9Å; G521-E525 PolarHBondContact O-N 2.86Å; G521-E525 VanDerWaalsContact O-N 3.14Å; E523-E525 PolarHBondContact O-N 3.4Å; E525-G528 PolarHBondContact O-N 3.48Å; E525-W529 HydrophobicContact CB-CE3 4.26Å; E525-W529 HydrophobicContact CB-CH2 4.03Å; E525-W529 HydrophobicContact CB-CZ3 3.87Å; E525-W529 HydrophobicContact CG-CE3 3.95Å; E525-W529 HydrophobicContact CG-CH2 3.85Å; E525-W529 HydrophobicContact CG-CZ3 3.35Å; E525-W529 VanDerWaalsContact OE1-CZ3 3.31Å; E525-W529 WeakPolarHBondContact OE1-CZ3 3.43Å
526	Q	97.9	Very high	98.2	Very high	141 Å²	141	35 Å²	35	66%	0.659	20%	0.195	S	C	*	.	H	α-helix	trans	-68.4	-36.3	178.6	-71.2	175.1	53.4	0	0	112.7	A522 E523 S524 G528	A522-Q526 WeakPolarHBondContact O-CG 3.45Å; A522-Q526 PolarHBondContact O-N 2.8Å; A522-Q526 PolarHBondContact O-NE2 3.3Å; E523-Q526 WeakPolarHBondContact O-CA 3.33Å; E523-Q526 WeakPolarHBondContact O-CB 3.48Å; E523-Q526 PolarHBondContact O-N 2.79Å; S524-Q526 VanDerWaalsContact C-N 3.33Å; S524-Q526 PolarHBondContact O-N 2.83Å; Q526-G528 PolarHBondContact O-N 2.82Å
527	E	97.9	Very high	98.1	Very high	78 Å²	78	36 Å²	36	36%	0.364	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	1.1	177.2	-67.3	-172.3	-110.9	0	0	113.5	E523 S524 A531 A532	E523-E527 WeakPolarHBondContact O-CG 3.39Å; E523-E527 PolarHBondContact O-N 2.73Å; S524-E527 PolarHBondContact O-N 2.83Å; E527-A531 WeakPolarHBondContact OE1-CB 3.17Å; E527-A532 WeakPolarHBondContact OE2-CB 3.28Å; E527-A532 PolarHBondContact OE2-N 3.44Å
528	G	97.6	Very high	98.1	Very high	35 Å²	35	37.6 Å²	37.6	36%	0.361	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.7	35.2	179.7	0	0	0	0	0	113.9	S524 E525 Q526 V530	S524-G528 PolarHBondContact O-N 2.86Å; E525-G528 PolarHBondContact O-N 3.48Å; Q526-G528 PolarHBondContact O-N 2.82Å; G528-V530 VanDerWaalsContact C-N 3.27Å; G528-V530 PolarHBondContact O-N 2.91Å
529	W	98.1	Very high	98.1	Very high	49 Å²	49	39.7 Å²	39.7	19%	0.186	22%	0.217	C	C	.	.	S	Bend	trans	77.2	-6.6	172.1	-45.6	97.9	0	0	0	116.7	Y492 V493 V497 V515 S524 E525	Y492-W529 HydrophobicContact CE1-CB 4.43Å; Y492-W529 WeakPolarHBondContact CE1-O 3.48Å; V493-W529 HydrophobicContact CG2-CB 4.07Å; V493-W529 HydrophobicContact CG2-CG 4.27Å; V497-W529 HydrophobicContact CB-CD2 4.39Å; V497-W529 HydrophobicContact CG1-CD2 4.01Å; V497-W529 HydrophobicContact CG1-CE3 4.37Å; V497-W529 HydrophobicContact CG1-CH2 4.19Å; V497-W529 HydrophobicContact CG1-CZ2 3.79Å; V497-W529 HydrophobicContact CG1-CZ3 4.42Å; V497-W529 HydrophobicContact CG2-CB 4.04Å; V497-W529 HydrophobicContact CG2-CD2 3.49Å; V497-W529 VanDerWaalsContact CG2-CD2 3.49Å; V497-W529 HydrophobicContact CG2-CE3 3.68Å; V497-W529 HydrophobicContact CG2-CG 3.63Å; V497-W529 HydrophobicContact CG2-CZ3 4.36Å; V515-W529 HydrophobicContact CB-CE3 4.41Å; V515-W529 HydrophobicContact CG2-CE3 4.42Å; S524-W529 WeakPolarHBondContact O-CA 3.46Å; S524-W529 PolarHBondContact O-N 3.48Å; E525-W529 HydrophobicContact CB-CE3 4.26Å; E525-W529 HydrophobicContact CB-CH2 4.03Å; E525-W529 HydrophobicContact CB-CZ3 3.87Å; E525-W529 HydrophobicContact CG-CE3 3.95Å; E525-W529 HydrophobicContact CG-CH2 3.85Å; E525-W529 HydrophobicContact CG-CZ3 3.35Å; E525-W529 VanDerWaalsContact OE1-CZ3 3.31Å; E525-W529 WeakPolarHBondContact OE1-CZ3 3.43Å
530	V	98.1	Very high	98.1	Very high	23 Å²	23	39.7 Å²	39.7	14%	0.139	22%	0.217	C	C	.	.	S	Bend	trans	-130.6	98.8	173.7	-176.4	0	0	0	0	107.1	E470 L473 A474 V489 Y492 G528	E470-V530 HydrophobicContact CG-CG1 4.4Å; L473-V530 HydrophobicContact CD2-CG1 4.4Å; L473-V530 HydrophobicContact CD2-CG2 3.98Å; L473-V530 HydrophobicContact CG-CG1 4.33Å; A474-V530 HydrophobicContact CB-CG1 4.07Å; V489-V530 HydrophobicContact CG1-CG2 4.45Å; Y492-V530 HydrophobicContact CD1-CG2 3.67Å; Y492-V530 HydrophobicContact CE1-CG2 3.91Å; Y492-V530 HydrophobicContact CG-CG2 4.28Å; G528-V530 VanDerWaalsContact C-N 3.27Å; G528-V530 PolarHBondContact O-N 2.91Å
531	A	97.4	Very high	98.1	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.008	22%	0.216	C	C	.	.			trans	-63.9	153.2	-179.6	0	0	0	0	0	111.9	E470 A474 N520 S524 E527 N533 P534	E470-A531 WeakPolarHBondContact OE1-CB 3.38Å; E470-A531 PolarHBondContact OE1-N 3.4Å; A474-A531 VanDerWaalsContact CB-O 3.3Å; A474-A531 WeakPolarHBondContact CB-O 3.01Å; N520-A531 HydrophobicContact CB-CB 4.33Å; N520-A531 WeakPolarHBondContact ND2-CB 3.48Å; S524-A531 WeakPolarHBondContact OG-CB 3.23Å; E527-A531 WeakPolarHBondContact OE1-CB 3.17Å; A531-N533 VanDerWaalsContact C-N 3.25Å; A531-N533 PolarHBondContact O-N 2.54Å; A531-P534 HydrophobicContact CB-CG 4.21Å
532	A	96.8	Very high	98.1	Very high	85 Å²	85	39.5 Å²	39.5	70%	0.702	21%	0.214	S	C	*	.	S	Bend	trans	-61.6	-36.6	174	0	0	0	0	0	111.9	E527	E527-A532 WeakPolarHBondContact OE2-CB 3.28Å; E527-A532 PolarHBondContact OE2-N 3.44Å
533	N	97.9	Very high	98.2	Very high	70 Å²	70	38.6 Å²	38.6	37%	0.374	21%	0.206	S	C	.	.			trans	-140.5	93.2	174.1	178.8	24.8	0	0	0	110.7	N520 A531 Y535 D536	N520-N533 PolarHBondContact ND2-O 3.23Å; N520-N533 PolarHBondContact OD1-O 2.76Å; A531-N533 VanDerWaalsContact C-N 3.25Å; A531-N533 PolarHBondContact O-N 2.54Å; N533-Y535 PolarHBondContact O-N 2.93Å; N533-Y535 VanDerWaalsContact O-N 3.13Å; N533-Y535 PolarHBondContact OD1-N 3.02Å; N533-Y535 VanDerWaalsContact OD1-N 3.15Å; N533-D536 WeakPolarHBondContact O-CB 3.38Å; N533-D536 PolarHBondContact O-N 2.75Å
534	P	98.1	Very high	98.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-5	175.9	-22.8	35.8	0	0	0	114.8	E470 A471 A474 A531	E470-P534 HydrophobicContact CG-CB 4.34Å; E470-P534 HydrophobicContact CG-CG 3.86Å; A471-P534 HydrophobicContact CB-CB 4.44Å; A474-P534 HydrophobicContact CB-CG 3.61Å; A531-P534 HydrophobicContact CB-CG 4.21Å
535	Y	98.4	Very high	98.2	Very high	65 Å²	65	41.8 Å²	41.8	26%	0.255	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	15.2	175.4	-66.2	-77.5	0	0	0	112.6	A471 T475 W477 P518 N533 P537 V542 H543	A471-Y535 HydrophobicContact CB-CE2 3.7Å; T475-Y535 HydrophobicContact CG2-CE2 4.46Å; W477-Y535 WeakPolarHBondContact CZ2-OH 3.47Å; P518-Y535 HydrophobicContact CG-CD1 4.18Å; P518-Y535 HydrophobicContact CG-CE1 3.75Å; N533-Y535 PolarHBondContact O-N 2.93Å; N533-Y535 VanDerWaalsContact O-N 3.13Å; N533-Y535 PolarHBondContact OD1-N 3.02Å; N533-Y535 VanDerWaalsContact OD1-N 3.15Å; Y535-P537 WeakPolarHBondContact O-CD 3.12Å; Y535-V542 HydrophobicContact CD1-CG1 4.38Å; Y535-H543 HydrophobicContact CE1-CB 4.24Å; Y535-H543 WeakPolarHBondContact CE1-O 3.39Å
536	D	98.3	Very high	98.1	Very high	39 Å²	39	39.2 Å²	39.2	21%	0.209	21%	0.208	C	C	.	.			trans	-68.5	117.1	-179.6	-167.7	-31.7	0	0	0	110.6	N533 H538 Y539	N533-D536 WeakPolarHBondContact O-CB 3.38Å; N533-D536 PolarHBondContact O-N 2.75Å; D536-H538 PolarHBondContact O-N 3.05Å; D536-H538 WeakPolarHBondContact OD1-CB 3.45Å; D536-H538 IonicContact OD1-CE1 3.95Å; D536-H538 IonicContact OD1-CG 2.66Å; D536-H538 PolarHBondContact OD1-N 2.8Å; D536-H538 IonicContact OD1-ND1 3.47Å; D536-H538 PolarHBondContact OD1-ND1 3.08Å; D536-H538 IonicContact OD2-ND1 2.66Å; D536-Y539 HydrophobicContact CB-CD2 4.31Å; D536-Y539 PolarHBondContact O-N 3.33Å
537	P	97.8	Very high	97.9	Very high	19 Å²	19	34.3 Å²	34.3	12%	0.123	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-7.2	-177.2	30.3	-38	0	0	0	114.2	Y535 R561 K659	Y535-P537 WeakPolarHBondContact O-CD 3.12Å; P537-R561 PolarHBondContact O-N 2.97Å; P537-K659 HydrophobicContact CG-CD 4.11Å
538	H	98.6	Very high	97.8	Very high	34 Å²	34	38.1 Å²	38.1	16%	0.157	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-11.4	179.9	-59.1	104.4	0	0	0	113.9	P348 L350 D536 R561 G658	P348-H538 WeakPolarHBondContact O-CB 3.32Å; L350-H538 PolarHBondContact N-O 2.97Å; D536-H538 PolarHBondContact O-N 3.05Å; D536-H538 WeakPolarHBondContact OD1-CB 3.45Å; D536-H538 IonicContact OD1-CE1 3.95Å; D536-H538 IonicContact OD1-CG 2.66Å; D536-H538 PolarHBondContact OD1-N 2.8Å; D536-H538 IonicContact OD1-ND1 3.47Å; D536-H538 PolarHBondContact OD1-ND1 3.08Å; D536-H538 IonicContact OD2-ND1 2.66Å; H538-R561 PolarHBondContact O-NE 3.48Å; H538-R561 PolarHBondContact O-NH2 3.48Å; H538-G658 PolarHBondContact CD2-O 3.27Å
539	Y	98.8	Very high	97.7	Very high	44 Å²	44	40.5 Å²	40.5	17%	0.173	20%	0.203	C	C	.	.	S	Bend	trans	-132.5	165	-177.6	-60.2	-90.3	0	0	0	110.3	G349 L350 N520 E523 D536	G349-Y539 VanDerWaalsContact CA-CE1 3.45Å; L350-Y539 HydrophobicContact CB-CD1 4.1Å; L350-Y539 HydrophobicContact CB-CE1 4.48Å; L350-Y539 HydrophobicContact CD1-CD1 4.42Å; L350-Y539 HydrophobicContact CD1-CE1 4.45Å; L350-Y539 HydrophobicContact CG-CD1 4.14Å; L350-Y539 HydrophobicContact CG-CE1 4.08Å; N520-Y539 HydrophobicContact CB-CG 4.27Å; E523-Y539 HydrophobicContact CB-CD1 3.6Å; E523-Y539 HydrophobicContact CB-CE1 3.73Å; E523-Y539 HydrophobicContact CB-CG 4.14Å; E523-Y539 HydrophobicContact CG-CD1 4.06Å; E523-Y539 HydrophobicContact CG-CE1 3.76Å; E523-Y539 HydrophobicContact CG-CE2 4.39Å; E523-Y539 HydrophobicContact CG-CG 4.44Å; E523-Y539 WeakPolarHBondContact OE2-CE1 3.47Å; D536-Y539 HydrophobicContact CB-CD2 4.31Å; D536-Y539 PolarHBondContact O-N 3.33Å
540	G	98.7	Very high	97.7	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.01	21%	0.208	C	C	.	.	S	Bend	trans	58.1	-147.7	155	0	0	0	0	0	117.1	F352 T519 R561	F352-G540 WeakPolarHBondContact CB-O 3.25Å; F352-G540 VanDerWaalsContact CD2-CA 3.41Å; F352-G540 VanDerWaalsContact CG-O 3.28Å; F352-G540 WeakPolarHBondContact CG-O 3.35Å; T519-G540 WeakPolarHBondContact O-CA 3.25Å; G540-R561 WeakPolarHBondContact O-CB 3.23Å
541	D	98.9	Very high	97.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-121.1	155	175.1	70	-53.9	0	0	0	111.5	F352 W423 S517 P518 T519 F562 S564	F352-D541 HydrophobicContact CE1-CB 4.07Å; F352-D541 HydrophobicContact CZ-CB 4.27Å; W423-D541 HydrophobicContact CH2-CB 4.17Å; S517-D541 PolarHBondContact OG-OD2 3.05Å; P518-D541 WeakPolarHBondContact CB-O 3.38Å; T519-D541 WeakPolarHBondContact CG2-OD1 3.27Å; T519-D541 PolarHBondContact N-OD1 2.8Å; T519-D541 PolarHBondContact O-N 2.97Å; T519-D541 VanDerWaalsContact O-N 3.1Å; D541-F562 CarbonylContact C-O 3.58Å; D541-F562 WeakPolarHBondContact CA-O 3.43Å; D541-F562 HydrophobicContact CB-CB 4.06Å; D541-F562 HydrophobicContact CB-CD1 4.04Å; D541-F562 HydrophobicContact CB-CG 4.4Å; D541-S564 WeakPolarHBondContact CB-OG 3.26Å; D541-S564 VanDerWaalsContact OD2-CB 3.27Å; D541-S564 WeakPolarHBondContact OD2-CB 3.44Å; D541-S564 PolarHBondContact OD2-OG 3.28Å
542	V	98.8	Very high	97.7	Very high	6 Å²	6	41.9 Å²	41.9	4%	0.036	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	138.6	-175.7	168.8	0	0	0	0	110.7	Y535 P558 T560 F562 S564	Y535-V542 HydrophobicContact CD1-CG1 4.38Å; V542-P558 HydrophobicContact CG1-CG 4.28Å; V542-T560 HydrophobicContact CB-CG2 4.25Å; V542-T560 VanDerWaalsContact CG2-OG1 3.23Å; V542-T560 WeakPolarHBondContact CG2-OG1 3.37Å; V542-F562 PolarHBondContact N-O 2.65Å; V542-S564 PolarHBondContact O-N 3.34Å
543	H	98.8	Very high	97.7	Very high	8 Å²	8	40.7 Å²	40.7	4%	0.037	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	130.7	164.3	-62.4	-170.1	0	0	0	109.1	N467 E468 S517 P518 Y535 Y545 S564 E565	N467-H543 PolarHBondContact OD1-CE1 3.17Å; E468-H543 WeakPolarHBondContact CG-ND1 3.35Å; E468-H543 IonicContact OE1-CE1 2.74Å; E468-H543 IonicContact OE1-CG 3.47Å; E468-H543 IonicContact OE1-ND1 2.73Å; E468-H543 PolarHBondContact OE1-ND1 3.11Å; S517-H543 PolarHBondContact O-CE1 2.86Å; S517-H543 VanDerWaalsContact O-CE1 3.28Å; S517-H543 PolarHBondContact OG-NE2 3.36Å; P518-H543 HydrophobicContact CG-CB 4.46Å; Y535-H543 HydrophobicContact CE1-CB 4.24Å; Y535-H543 WeakPolarHBondContact CE1-O 3.39Å; H543-Y545 HydrophobicContact CB-CE2 4.35Å; H543-S564 PolarHBondContact CD2-OG 3Å; H543-S564 PolarHBondContact NE2-OG 3.31Å; H543-E565 CarbonylContact C-O 3.56Å; H543-E565 WeakPolarHBondContact CA-O 3.37Å; H543-E565 HydrophobicContact CB-CB 3.97Å; H543-E565 IonicContact CE1-OE1 2.98Å; H543-E565 PolarHBondContact CE1-OE1 3.17Å; H543-E565 IonicContact CE1-OE2 3.6Å; H543-E565 VanDerWaalsContact ND1-CD 3.33Å; H543-E565 IonicContact ND1-OE1 2.68Å; H543-E565 IonicContact ND1-OE2 2.77Å; H543-E565 PolarHBondContact ND1-OE2 2.56Å; H543-E565 IonicContact NE2-OE1 3.46Å
544	F	98.6	Very high	97.6	Very high	42 Å²	42	39.2 Å²	39.2	18%	0.184	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	120.1	179.8	-177.4	-94.6	0	0	0	113.1	T556 F557 P558 E565 Y566	F544-T556 WeakPolarHBondContact CZ-O 3.49Å; F544-F557 HydrophobicContact CD1-CD1 4.32Å; F544-F557 AromaticContact CE1-CD1 3.74Å; F544-F557 HydrophobicContact CE1-CD1 3.74Å; F544-F557 HydrophobicContact CE1-CE1 4.35Å; F544-P558 HydrophobicContact CB-CG 3.85Å; F544-P558 HydrophobicContact CD2-CG 3.56Å; F544-P558 HydrophobicContact CE2-CG 4.22Å; F544-P558 VanDerWaalsContact CG-CD 3.45Å; F544-P558 HydrophobicContact CG-CG 3.71Å; F544-E565 PolarHBondContact N-O 3.43Å; F544-Y566 VanDerWaalsContact O-CA 3.27Å; F544-Y566 WeakPolarHBondContact O-CA 3.45Å; F544-Y566 VanDerWaalsContact O-CB 3.31Å; F544-Y566 WeakPolarHBondContact O-CB 3.3Å
545	Y	98.1	Very high	97.5	Very high	65 Å²	65	43.8 Å²	43.8	26%	0.255	20%	0.201	S	C	.	.			trans	-130	131.8	174.3	-61	-84.1	0	0	0	109.9	H543 Y547 E565 W668	H543-Y545 HydrophobicContact CB-CE2 4.35Å; Y545-Y547 HydrophobicContact CD1-CE1 4.45Å; Y545-Y547 WeakPolarHBondContact CD1-OH 3.45Å; Y545-E565 HydrophobicContact CE2-CB 4.28Å; Y545-E565 PolarHBondContact OH-OE2 2.66Å; Y545-W668 HydrophobicContact CE1-CB 4.03Å; Y545-W668 HydrophobicContact CE1-CG 4.28Å; Y545-W668 WeakPolarHBondContact OH-CB 3.49Å
546	S	96.4	Very high	97.4	Very high	19 Å²	19	42.3 Å²	42.3	13%	0.133	20%	0.199	C	C	.	.			trans	-149	122.3	172.6	169.2	0	0	0	0	109.4	L549 F568	S546-L549 WeakPolarHBondContact OG-CB 3.48Å; S546-L549 VanDerWaalsContact OG-CG 3.32Å; S546-L549 WeakPolarHBondContact OG-CG 3.21Å; S546-L549 PolarHBondContact OG-N 3.18Å; S546-F568 VanDerWaalsContact O-CE1 3.22Å; S546-F568 WeakPolarHBondContact O-CE1 3.38Å; S546-F568 WeakPolarHBondContact O-CZ 3.46Å
547	Y	94.9	Very high	97.3	Very high	38 Å²	38	41 Å²	41	15%	0.149	19%	0.191	C	C	.	.	S	Bend	trans	-110.4	-2.4	-176.1	-46.3	-59.2	0	0	0	113.8	Y545 H599 L605 W679	Y545-Y547 HydrophobicContact CD1-CE1 4.45Å; Y545-Y547 WeakPolarHBondContact CD1-OH 3.45Å; Y547-H599 AromaticContact CD2-NE2 3.92Å; Y547-H599 AromaticContact CE2-CE1 3.74Å; Y547-H599 AromaticContact CE2-NE2 3.34Å; Y547-H599 VanDerWaalsContact CE2-NE2 3.34Å; Y547-H599 WeakPolarHBondContact CE2-NE2 3.48Å; Y547-H599 AromaticContact CZ-NE2 3.82Å; Y547-L605 HydrophobicContact CD2-CD1 3.91Å; Y547-L605 HydrophobicContact CG-CD1 4.12Å; Y547-W679 AromaticContact CE1-NE1 3.9Å
548	F	94.2	Very high	97.3	Very high	157 Å²	157	41.5 Å²	41.5	69%	0.689	20%	0.195	S	C	*	.	S	Bend	trans	-112	-24.5	-177.9	-54.9	-76.9	0	0	0	113.2	L605	F548-L605 HydrophobicContact CD1-CD2 4Å; F548-L605 HydrophobicContact CE1-CD2 3.35Å; F548-L605 HydrophobicContact CE2-CD2 4.49Å; F548-L605 HydrophobicContact CZ-CD2 3.65Å
549	L	96	Very high	97.3	Very high	85 Å²	85	40.9 Å²	40.9	45%	0.445	19%	0.191	S	C	.	.	S	Bend	trans	-80.5	145.8	174.6	-57.8	176.2	0	0	0	109.4	S546 C551 T556 Q609	S546-L549 WeakPolarHBondContact OG-CB 3.48Å; S546-L549 VanDerWaalsContact OG-CG 3.32Å; S546-L549 WeakPolarHBondContact OG-CG 3.21Å; S546-L549 PolarHBondContact OG-N 3.18Å; L549-C551 PolarHBondContact O-N 3.49Å; L549-C551 VanDerWaalsContact O-N 3.16Å; L549-T556 HydrophobicContact CB-CG2 4Å; L549-T556 HydrophobicContact CD1-CG2 3.98Å; L549-T556 HydrophobicContact CG-CG2 4.46Å; L549-Q609 PolarHBondContact O-NE2 2.95Å; L549-Q609 PolarHBondContact O-OE1 3.29Å
550	D	98.1	Very high	97.3	Very high	55 Å²	55	38.8 Å²	38.8	29%	0.294	18%	0.183	S	C	.	.			trans	-59	118.3	173	-176.8	-10.5	0	0	0	110.2	W552 D553 L612 H613	D550-W552 PolarHBondContact O-N 3.46Å; D550-W552 WeakPolarHBondContact OD1-CB 3.28Å; D550-W552 PolarHBondContact OD1-N 3.31Å; D550-D553 HydrophobicContact CB-CB 4.25Å; D550-D553 PolarHBondContact O-N 3.21Å; D550-D553 VanDerWaalsContact O-N 3.17Å; D550-L612 HydrophobicContact CB-CD1 4.03Å; D550-H613 IonicContact OD1-CD2 2.74Å; D550-H613 IonicContact OD1-CE1 3.46Å; D550-H613 IonicContact OD1-NE2 2.71Å; D550-H613 PolarHBondContact OD1-NE2 2.73Å; D550-H613 IonicContact OD2-CE1 2.64Å; D550-H613 PolarHBondContact OD2-CE1 2.87Å; D550-H613 VanDerWaalsContact OD2-CE1 3.23Å; D550-H613 IonicContact OD2-NE2 2.66Å; D550-H613 PolarHBondContact OD2-NE2 3.12Å
551	C	97.9	Very high	97.3	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.02	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-9	-179.1	69.6	0	0	0	0	113.2	L549 F557 F568 Q609 C640	L549-C551 PolarHBondContact O-N 3.49Å; L549-C551 VanDerWaalsContact O-N 3.16Å; C551-F557 WeakPolarHBondContact O-CZ 3.4Å; C551-F568 HydrophobicContact CB-CE1 3.8Å; C551-F568 HydrophobicContact CB-CE2 4.15Å; C551-F568 HydrophobicContact CB-CZ 3.5Å; C551-F568 VanDerWaalsContact CB-CZ 3.5Å; C551-Q609 PolarHBondContact SG-NE2 3.13Å; C551-Q609 VanDerWaalsContact SG-NE2 3.43Å; C551-C640 HydrophobicContact CB-CB 3.45Å; C551-C640 VanDerWaalsContact CB-CB 3.45Å; C551-C640 WeakPolarHBondContact CB-SG 3.27Å; C551-C640 WeakPolarHBondContact SG-CA 3.36Å; C551-C640 WeakPolarHBondContact SG-CB 3.49Å; C551-C640 CovalentContact SG-SG 2.02Å; C551-C640 PolarHBondContact SG-SG 2.94Å
552	W	97.6	Very high	97.3	Very high	45 Å²	45	38.8 Å²	38.8	17%	0.17	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-20.4	169.4	-71.5	22.2	0	0	0	111.1	D550 W554 H613 F614 E639 F802 P806	D550-W552 PolarHBondContact O-N 3.46Å; D550-W552 WeakPolarHBondContact OD1-CB 3.28Å; D550-W552 PolarHBondContact OD1-N 3.31Å; W552-W554 PolarHBondContact O-N 3.35Å; W552-W554 VanDerWaalsContact O-N 3.08Å; W552-H613 AromaticContact CD1-CD2 3.8Å; W552-H613 AromaticContact CD1-NE2 3.84Å; W552-H613 AromaticContact CD2-CD2 3.6Å; W552-H613 AromaticContact CD2-CE1 3.79Å; W552-H613 AromaticContact CD2-CG 3.73Å; W552-H613 AromaticContact CD2-ND1 3.85Å; W552-H613 AromaticContact CD2-NE2 3.66Å; W552-H613 AromaticContact CE2-CD2 3.71Å; W552-H613 AromaticContact CE2-CG 3.85Å; W552-H613 AromaticContact CE3-CE1 3.8Å; W552-H613 AromaticContact CE3-CG 3.85Å; W552-H613 AromaticContact CE3-ND1 3.61Å; W552-H613 AromaticContact CG-CD2 3.69Å; W552-H613 AromaticContact CG-CE1 3.86Å; W552-H613 AromaticContact CG-NE2 3.42Å; W552-H613 HydrophobicContact CH2-CB 4.13Å; W552-H613 HydrophobicContact CZ2-CB 4.06Å; W552-H613 HydrophobicContact CZ3-CB 4.37Å; W552-H613 AromaticContact NE1-CD2 3.79Å; W552-F614 AromaticContact CZ2-CZ 3.94Å; W552-F614 HydrophobicContact CZ2-CZ 3.94Å; W552-E639 HydrophobicContact CZ2-CB 4.42Å; W552-E639 HydrophobicContact CZ2-CG 4.26Å; W552-F802 HydrophobicContact CH2-CB 4.16Å; W552-F802 AromaticContact CH2-CD2 3.36Å; W552-F802 HydrophobicContact CH2-CD2 3.36Å; W552-F802 HydrophobicContact CH2-CE2 4.05Å; W552-F802 HydrophobicContact CH2-CG 4.12Å; W552-F802 HydrophobicContact CZ2-CD2 4.11Å; W552-F802 HydrophobicContact CZ2-CE2 4.5Å; W552-F802 HydrophobicContact CZ3-CB 3.89Å; W552-F802 AromaticContact CZ3-CD2 3.94Å; W552-F802 HydrophobicContact CZ3-CD2 3.94Å; W552-F802 HydrophobicContact CZ3-CG 4.35Å; W552-P806 VanDerWaalsContact CH2-CD 3.41Å; W552-P806 HydrophobicContact CH2-CG 3.94Å
553	D	97.1	Very high	97.3	Very high	60 Å²	60	38.5 Å²	38.5	32%	0.321	18%	0.181	S	C	.	.			trans	-79.1	91.1	171.7	-173.2	6.6	0	0	0	111	D550 K555 T556	D550-D553 HydrophobicContact CB-CB 4.25Å; D550-D553 PolarHBondContact O-N 3.21Å; D550-D553 VanDerWaalsContact O-N 3.17Å; D553-K555 PolarHBondContact O-N 2.66Å; D553-K555 VanDerWaalsContact OD1-CB 3.29Å; D553-K555 WeakPolarHBondContact OD1-CB 3.09Å; D553-K555 WeakPolarHBondContact OD1-CG 3.45Å; D553-K555 PolarHBondContact OD1-N 3Å; D553-K555 VanDerWaalsContact OD1-N 3.12Å; D553-T556 HydrophobicContact CB-CG2 4.05Å; D553-T556 WeakPolarHBondContact O-CB 3.47Å; D553-T556 WeakPolarHBondContact O-CG2 3.27Å; D553-T556 PolarHBondContact O-N 2.87Å; D553-T556 VanDerWaalsContact O-N 3.15Å; D553-T556 PolarHBondContact O-OG1 3.34Å
554	W	96.2	Very high	97.3	Very high	39 Å²	39	38.1 Å²	38.1	15%	0.148	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-59.2	-18.6	179.7	61.7	-97	0	0	0	114.1	W552 T556 F557 T643 F647 F707 E708	W552-W554 PolarHBondContact O-N 3.35Å; W552-W554 VanDerWaalsContact O-N 3.08Å; W554-T556 PolarHBondContact O-N 3.02Å; W554-F557 HydrophobicContact CB-CD2 4.12Å; W554-F557 HydrophobicContact CB-CE2 4.22Å; W554-F557 WeakPolarHBondContact O-CD2 3.34Å; W554-F557 PolarHBondContact O-N 3.29Å; W554-T643 HydrophobicContact CB-CG2 4.39Å; W554-F647 HydrophobicContact CB-CD2 4.35Å; W554-F647 HydrophobicContact CE3-CD2 4.03Å; W554-F647 AromaticContact CE3-CE2 3.92Å; W554-F647 HydrophobicContact CE3-CE2 3.92Å; W554-F647 HydrophobicContact CZ3-CE2 4.45Å; W554-F707 HydrophobicContact CD2-CD2 4.42Å; W554-F707 AromaticContact CE2-CD2 3.67Å; W554-F707 HydrophobicContact CH2-CE2 4.48Å; W554-F707 AromaticContact CZ2-CD2 3.9Å; W554-F707 HydrophobicContact CZ2-CD2 3.9Å; W554-F707 AromaticContact CZ2-CE2 3.92Å; W554-F707 HydrophobicContact CZ2-CE2 3.92Å; W554-F707 AromaticContact NE1-CD2 3.52Å; W554-E708 PolarHBondContact NE1-O 3.09Å
555	K	95.3	Very high	97.3	Very high	96 Å²	96	36.3 Å²	36.3	42%	0.417	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-69.8	-19.3	-179.5	-60.7	167.9	-168.4	166.7	0	112.2	D553 F557 D710	D553-K555 PolarHBondContact O-N 2.66Å; D553-K555 VanDerWaalsContact OD1-CB 3.29Å; D553-K555 WeakPolarHBondContact OD1-CB 3.09Å; D553-K555 WeakPolarHBondContact OD1-CG 3.45Å; D553-K555 PolarHBondContact OD1-N 3Å; D553-K555 VanDerWaalsContact OD1-N 3.12Å; K555-F557 VanDerWaalsContact C-N 3.26Å; K555-F557 PolarHBondContact O-N 2.92Å; K555-D710 WeakPolarHBondContact CE-OD1 3.34Å; K555-D710 IonicContact NZ-OD1 2.91Å; K555-D710 PolarHBondContact NZ-OD1 2.71Å
556	T	95.6	Very high	97.4	Very high	34 Å²	34	33.2 Å²	33.2	21%	0.209	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-73.1	-21.4	177	67.1	0	0	0	0	112.3	F544 L549 D553 W554	F544-T556 WeakPolarHBondContact CZ-O 3.49Å; L549-T556 HydrophobicContact CB-CG2 4Å; L549-T556 HydrophobicContact CD1-CG2 3.98Å; L549-T556 HydrophobicContact CG-CG2 4.46Å; D553-T556 HydrophobicContact CB-CG2 4.05Å; D553-T556 WeakPolarHBondContact O-CB 3.47Å; D553-T556 WeakPolarHBondContact O-CG2 3.27Å; D553-T556 PolarHBondContact O-N 2.87Å; D553-T556 VanDerWaalsContact O-N 3.15Å; D553-T556 PolarHBondContact O-OG1 3.34Å; W554-T556 PolarHBondContact O-N 3.02Å
557	F	97.9	Very high	97.5	Very high	10 Å²	10	32.3 Å²	32.3	4%	0.044	15%	0.153	C	C	.	.	S	Bend	trans	-79.3	135.8	-177	-53.9	-40.4	0	0	0	111.8	F544 C551 W554 K555 R559 T643 Q644 F647	F544-F557 HydrophobicContact CD1-CD1 4.32Å; F544-F557 AromaticContact CE1-CD1 3.74Å; F544-F557 HydrophobicContact CE1-CD1 3.74Å; F544-F557 HydrophobicContact CE1-CE1 4.35Å; C551-F557 WeakPolarHBondContact O-CZ 3.4Å; W554-F557 HydrophobicContact CB-CD2 4.12Å; W554-F557 HydrophobicContact CB-CE2 4.22Å; W554-F557 WeakPolarHBondContact O-CD2 3.34Å; W554-F557 PolarHBondContact O-N 3.29Å; K555-F557 VanDerWaalsContact C-N 3.26Å; K555-F557 PolarHBondContact O-N 2.92Å; F557-R559 PolarHBondContact O-N 3.07Å; F557-T643 HydrophobicContact CE2-CG2 4Å; F557-Q644 HydrophobicContact CD1-CB 4.4Å; F557-Q644 HydrophobicContact CD1-CG 3.83Å; F557-Q644 HydrophobicContact CD2-CB 4.09Å; F557-Q644 HydrophobicContact CD2-CG 3.95Å; F557-Q644 HydrophobicContact CE1-CB 4.02Å; F557-Q644 HydrophobicContact CE1-CG 3.9Å; F557-Q644 VanDerWaalsContact CE2-CA 3.41Å; F557-Q644 HydrophobicContact CE2-CB 3.67Å; F557-Q644 HydrophobicContact CE2-CG 4.02Å; F557-Q644 HydrophobicContact CG-CB 4.44Å; F557-Q644 HydrophobicContact CG-CG 3.87Å; F557-Q644 HydrophobicContact CZ-CB 3.64Å; F557-Q644 HydrophobicContact CZ-CG 4Å; F557-F647 HydrophobicContact CB-CD1 3.66Å; F557-F647 HydrophobicContact CB-CE1 3.62Å; F557-F647 HydrophobicContact CB-CG 4.38Å; F557-F647 HydrophobicContact CB-CZ 4.3Å; F557-F647 HydrophobicContact CD2-CB 4.12Å; F557-F647 HydrophobicContact CD2-CD1 4.11Å; F557-F647 HydrophobicContact CD2-CG 4.14Å; F557-F647 HydrophobicContact CG-CD1 4.35Å
558	P	97.5	Very high	97.7	Very high	30 Å²	30	30.9 Å²	30.9	20%	0.195	15%	0.147	C	C	.	.			trans	-70.4	125.3	177.8	28.6	-33.8	0	0	0	109.4	V542 F544 T560 Y648	V542-P558 HydrophobicContact CG1-CG 4.28Å; F544-P558 HydrophobicContact CB-CG 3.85Å; F544-P558 HydrophobicContact CD2-CG 3.56Å; F544-P558 HydrophobicContact CE2-CG 4.22Å; F544-P558 VanDerWaalsContact CG-CD 3.45Å; F544-P558 HydrophobicContact CG-CG 3.71Å; P558-T560 PolarHBondContact O-N 3.31Å; P558-Y648 WeakPolarHBondContact O-CE1 3.45Å
559	R	98.2	Very high	97.9	Very high	22 Å²	22	23.8 Å²	23.8	8%	0.083	12%	0.116	C	C	.	.			trans	-75.4	74.2	172.2	-167.1	177.3	-66.3	-88.9	9	110.7	F557 F647 S651 E654 K659	F557-R559 PolarHBondContact O-N 3.07Å; R559-F647 HydrophobicContact CB-CE1 4.48Å; R559-F647 HydrophobicContact CB-CZ 3.89Å; R559-F647 HydrophobicContact CG-CZ 4.23Å; R559-S651 PolarHBondContact NH1-OG 2.97Å; R559-E654 IonicContact CZ-OE1 3.65Å; R559-E654 IonicContact NH1-OE1 3.47Å; R559-E654 PolarHBondContact NH1-OE1 2.78Å; R559-E654 IonicContact NH2-OE1 2.78Å; R559-K659 HydrophobicContact CB-CB 3.9Å; R559-K659 VanDerWaalsContact CD-C 3.49Å; R559-K659 WeakPolarHBondContact CD-O 3.48Å; R559-K659 HydrophobicContact CG-CB 4.07Å
560	T	98.5	Very high	98	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.095	C	C	.	.			trans	-84.8	166.5	-175.4	-176	0	0	0	0	113.1	V542 P558 F562 A563 Y648 T662	V542-T560 HydrophobicContact CB-CG2 4.25Å; V542-T560 VanDerWaalsContact CG2-OG1 3.23Å; V542-T560 WeakPolarHBondContact CG2-OG1 3.37Å; P558-T560 PolarHBondContact O-N 3.31Å; T560-F562 WeakPolarHBondContact CG2-O 3.4Å; T560-F562 PolarHBondContact OG1-N 2.92Å; T560-F562 PolarHBondContact OG1-O 3.21Å; T560-A563 HydrophobicContact CG2-CB 4.01Å; T560-Y648 HydrophobicContact CG2-CE1 4.31Å; T560-T662 WeakPolarHBondContact O-CA 3.34Å; T560-T662 WeakPolarHBondContact O-CB 3.35Å; T560-T662 PolarHBondContact O-OG1 3.27Å
561	R	98.8	Very high	98.1	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.081	C	C	.	.	S	Bend	trans	-69.4	-36	168.6	-52.1	-52.8	-170.8	-163.8	-3.6	112.4	S347 P348 L350 F352 P537 H538 G540 G660 T662 M663	S347-R561 VanDerWaalsContact OG-CZ 3.28Å; S347-R561 PolarHBondContact OG-NH1 3.47Å; S347-R561 PolarHBondContact OG-NH2 2.99Å; P348-R561 PolarHBondContact O-NH2 2.95Å; L350-R561 WeakPolarHBondContact O-CG 3.47Å; L350-R561 PolarHBondContact O-NE 3.4Å; L350-R561 VanDerWaalsContact O-NE 3.08Å; F352-R561 HydrophobicContact CB-CB 3.72Å; F352-R561 HydrophobicContact CB-CG 4.44Å; P537-R561 PolarHBondContact O-N 2.97Å; H538-R561 PolarHBondContact O-NE 3.48Å; H538-R561 PolarHBondContact O-NH2 3.48Å; G540-R561 WeakPolarHBondContact O-CB 3.23Å; R561-G660 WeakPolarHBondContact CD-O 3.27Å; R561-G660 PolarHBondContact NH1-O 2.86Å; R561-T662 CarbonylContact O-C 3.44Å; R561-T662 VanDerWaalsContact O-CA 3.27Å; R561-T662 WeakPolarHBondContact O-CA 3.44Å; R561-M663 PolarHBondContact O-N 2.8Å
562	F	98.9	Very high	98.1	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.08	C	C	.	.			trans	-154.2	130.4	-179.5	-165.1	-74.7	0	0	0	110	F352 F354 L363 W423 D541 V542 T560 G664 L666	F352-F562 HydrophobicContact CD1-CB 3.56Å; F352-F562 AromaticContact CD1-CD2 3.94Å; F352-F562 HydrophobicContact CD1-CD2 3.94Å; F352-F562 AromaticContact CD1-CG 3.89Å; F352-F562 HydrophobicContact CD1-CG 3.89Å; F352-F562 HydrophobicContact CE1-CB 4.08Å; F352-F562 HydrophobicContact CE1-CD2 4.17Å; F352-F562 HydrophobicContact CE1-CG 4.04Å; F352-F562 HydrophobicContact CG-CB 4.47Å; F354-F562 HydrophobicContact CD2-CE2 4.42Å; F354-F562 HydrophobicContact CE2-CE2 4.28Å; L363-F562 HydrophobicContact CB-CE2 3.8Å; L363-F562 HydrophobicContact CB-CZ 3.75Å; L363-F562 HydrophobicContact CD2-CE2 3.75Å; L363-F562 HydrophobicContact CD2-CZ 3.62Å; L363-F562 HydrophobicContact CG-CE2 4.22Å; L363-F562 HydrophobicContact CG-CZ 4.29Å; W423-F562 HydrophobicContact CE3-CE1 4.46Å; W423-F562 HydrophobicContact CE3-CZ 4.49Å; W423-F562 HydrophobicContact CZ3-CD1 4.32Å; W423-F562 AromaticContact CZ3-CE1 3.89Å; W423-F562 HydrophobicContact CZ3-CE1 3.89Å; W423-F562 HydrophobicContact CZ3-CZ 4.14Å; D541-F562 CarbonylContact C-O 3.58Å; D541-F562 WeakPolarHBondContact CA-O 3.43Å; D541-F562 HydrophobicContact CB-CB 4.06Å; D541-F562 HydrophobicContact CB-CD1 4.04Å; D541-F562 HydrophobicContact CB-CG 4.4Å; V542-F562 PolarHBondContact N-O 2.65Å; T560-F562 WeakPolarHBondContact CG2-O 3.4Å; T560-F562 PolarHBondContact OG1-N 2.92Å; T560-F562 PolarHBondContact OG1-O 3.21Å; F562-G664 VanDerWaalsContact CE2-CA 3.48Å; F562-L666 HydrophobicContact CE1-CD1 4Å; F562-L666 HydrophobicContact CE1-CG 4.03Å; F562-L666 HydrophobicContact CZ-CD1 4.08Å; F562-L666 HydrophobicContact CZ-CG 4.13Å
563	A	98.9	Very high	98.2	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.008	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	98.2	174.5	0	0	0	0	0	109	T560 Y566 Y648 G664 A665 L666	T560-A563 HydrophobicContact CG2-CB 4.01Å; A563-Y566 HydrophobicContact CB-CD1 3.81Å; A563-Y566 HydrophobicContact CB-CE1 3.96Å; A563-Y648 HydrophobicContact CB-CD1 4.39Å; A563-Y648 HydrophobicContact CB-CD2 3.79Å; A563-Y648 HydrophobicContact CB-CE1 4.18Å; A563-Y648 HydrophobicContact CB-CE2 3.51Å; A563-Y648 HydrophobicContact CB-CG 4.23Å; A563-G664 PolarHBondContact N-O 3Å; A563-A665 CarbonylContact O-C 3.56Å; A563-A665 WeakPolarHBondContact O-CA 3.27Å; A563-L666 PolarHBondContact O-N 3.41Å
564	S	98.9	Very high	98.2	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-21.4	-178.3	39.1	0	0	0	0	112.9	N367 D541 V542 H543 L666	N367-S564 PolarHBondContact ND2-O 3.36Å; D541-S564 WeakPolarHBondContact CB-OG 3.26Å; D541-S564 VanDerWaalsContact OD2-CB 3.27Å; D541-S564 WeakPolarHBondContact OD2-CB 3.44Å; D541-S564 PolarHBondContact OD2-OG 3.28Å; V542-S564 PolarHBondContact O-N 3.34Å; H543-S564 PolarHBondContact CD2-OG 3Å; H543-S564 PolarHBondContact NE2-OG 3.31Å; S564-L666 CarbonylContact C-O 3.5Å; S564-L666 VanDerWaalsContact C-O 3.31Å; S564-L666 WeakPolarHBondContact O-CB 3.4Å
565	E	98.9	Very high	98.3	Very high	4 Å²	4	12.8 Å²	12.8	2%	0.019	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	141.2	166.9	-67.3	-172.2	-166	0	0	112.4	R399 N467 H543 F544 Y545 L666 W668	R399-E565 IonicContact CZ-OE1 3.84Å; R399-E565 IonicContact NH1-OE1 3.35Å; R399-E565 PolarHBondContact NH1-OE1 2.76Å; R399-E565 IonicContact NH2-OE1 3.2Å; N467-E565 PolarHBondContact OD1-OE1 2.88Å; N467-E565 VanDerWaalsContact OD1-OE1 3.08Å; H543-E565 CarbonylContact C-O 3.56Å; H543-E565 WeakPolarHBondContact CA-O 3.37Å; H543-E565 HydrophobicContact CB-CB 3.97Å; H543-E565 IonicContact CE1-OE1 2.98Å; H543-E565 PolarHBondContact CE1-OE1 3.17Å; H543-E565 IonicContact CE1-OE2 3.6Å; H543-E565 VanDerWaalsContact ND1-CD 3.33Å; H543-E565 IonicContact ND1-OE1 2.68Å; H543-E565 IonicContact ND1-OE2 2.77Å; H543-E565 PolarHBondContact ND1-OE2 2.56Å; H543-E565 IonicContact NE2-OE1 3.46Å; F544-E565 PolarHBondContact N-O 3.43Å; Y545-E565 HydrophobicContact CE2-CB 4.28Å; Y545-E565 PolarHBondContact OH-OE2 2.66Å; E565-L666 WeakPolarHBondContact CA-O 3.38Å; E565-W668 HydrophobicContact CB-CB 4.4Å; E565-W668 HydrophobicContact CG-CE3 4Å
566	Y	98.9	Very high	98.5	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.2	145.8	166.7	56.3	-79.5	0	0	0	109.1	F544 A563 V641 Q644 T645 Y648 A665 Y667 W668	F544-Y566 VanDerWaalsContact O-CA 3.27Å; F544-Y566 WeakPolarHBondContact O-CA 3.45Å; F544-Y566 VanDerWaalsContact O-CB 3.31Å; F544-Y566 WeakPolarHBondContact O-CB 3.3Å; A563-Y566 HydrophobicContact CB-CD1 3.81Å; A563-Y566 HydrophobicContact CB-CE1 3.96Å; Y566-V641 HydrophobicContact CE2-CG1 4.16Å; Y566-Q644 HydrophobicContact CD2-CB 4.29Å; Y566-Q644 VanDerWaalsContact CD2-CD 3.42Å; Y566-Q644 HydrophobicContact CD2-CG 3.83Å; Y566-Q644 HydrophobicContact CE2-CB 4.48Å; Y566-Q644 HydrophobicContact CE2-CG 4.28Å; Y566-Q644 HydrophobicContact CG-CG 4.42Å; Y566-T645 WeakPolarHBondContact CE2-OG1 3.33Å; Y566-T645 PolarHBondContact OH-OG1 3.46Å; Y566-T645 VanDerWaalsContact OH-OG1 3.08Å; Y566-Y648 HydrophobicContact CD1-CD2 4.29Å; Y566-Y648 AromaticContact CD1-CE2 3.66Å; Y566-Y648 HydrophobicContact CD1-CE2 3.66Å; Y566-Y648 HydrophobicContact CD2-CE2 4.05Å; Y566-Y648 AromaticContact CE1-CD2 3.93Å; Y566-Y648 HydrophobicContact CE1-CD2 3.93Å; Y566-Y648 AromaticContact CE1-CE2 3.77Å; Y566-Y648 HydrophobicContact CE1-CE2 3.77Å; Y566-Y648 HydrophobicContact CE2-CD2 4.34Å; Y566-Y648 HydrophobicContact CE2-CE2 4.13Å; Y566-Y648 AromaticContact CG-CE2 3.83Å; Y566-Y648 HydrophobicContact CG-CE2 3.83Å; Y566-Y648 AromaticContact CZ-CD2 3.97Å; Y566-A665 HydrophobicContact CE1-CB 4.05Å; Y566-A665 WeakPolarHBondContact OH-CB 3.44Å; Y566-Y667 CarbonylContact O-C 3.59Å; Y566-Y667 VanDerWaalsContact O-CA 3.28Å; Y566-Y667 WeakPolarHBondContact O-CA 3.45Å; Y566-Y667 WeakPolarHBondContact O-CB 3.41Å; Y566-W668 PolarHBondContact O-N 3.35Å
567	G	98.6	Very high	98.6	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.038	C	C	.	.			trans	-178.1	168.2	177.6	0	0	0	0	0	115.6	W679	G567-W679 VanDerWaalsContact C-CD1 3.41Å
568	F	98.8	Very high	98.6	Very high	7 Å²	7	10.9 Å²	10.9	3%	0.031	6%	0.055	C	C	.	.			trans	-124.7	144.9	172.7	-69.4	-98.2	0	0	0	110.3	S546 C551 Q609 M636 Q637 C640 V641	S546-F568 VanDerWaalsContact O-CE1 3.22Å; S546-F568 WeakPolarHBondContact O-CE1 3.38Å; S546-F568 WeakPolarHBondContact O-CZ 3.46Å; C551-F568 HydrophobicContact CB-CE1 3.8Å; C551-F568 HydrophobicContact CB-CE2 4.15Å; C551-F568 HydrophobicContact CB-CZ 3.5Å; C551-F568 VanDerWaalsContact CB-CZ 3.5Å; F568-Q609 HydrophobicContact CD1-CG 4.48Å; F568-Q609 HydrophobicContact CE1-CG 4.42Å; F568-M636 HydrophobicContact CB-SD 4.3Å; F568-M636 HydrophobicContact CD1-SD 4.26Å; F568-Q637 HydrophobicContact CB-CG 4.44Å; F568-Q637 WeakPolarHBondContact O-CG 3.17Å; F568-Q637 PolarHBondContact O-NE2 3.4Å; F568-C640 HydrophobicContact CB-CB 4.29Å; F568-C640 HydrophobicContact CD1-CB 3.98Å; F568-C640 HydrophobicContact CD2-CB 3.41Å; F568-C640 VanDerWaalsContact CD2-CB 3.41Å; F568-C640 HydrophobicContact CE1-CB 4.16Å; F568-C640 HydrophobicContact CE2-CB 3.63Å; F568-C640 HydrophobicContact CG-CB 3.61Å; F568-C640 HydrophobicContact CZ-CB 4.01Å; F568-V641 HydrophobicContact CB-CG2 4.48Å; F568-V641 HydrophobicContact CD2-CG2 4.14Å
569	Q	98.9	Very high	98.6	Very high	8 Å²	8	13.1 Å²	13.1	4%	0.037	7%	0.069	C	C	.	.			trans	-75.6	150.8	176.7	-74.6	-160.6	-12.9	0	0	112.3	M606 M636 S678 W679	Q569-M606 VanDerWaalsContact C-SD 3.6Å; Q569-M606 HydrophobicContact CB-CE 4.2Å; Q569-M606 HydrophobicContact CB-CG 3.88Å; Q569-M606 HydrophobicContact CB-SD 3.73Å; Q569-M606 WeakPolarHBondContact O-CG 3.43Å; Q569-M636 WeakPolarHBondContact O-CE 3.17Å; Q569-S678 CarbonylContact C-O 2.97Å; Q569-S678 WeakPolarHBondContact CA-O 3.36Å; Q569-W679 HydrophobicContact CG-CD2 3.6Å; Q569-W679 HydrophobicContact CG-CE3 4.09Å; Q569-W679 HydrophobicContact CG-CG 4.04Å; Q569-W679 HydrophobicContact CG-CH2 4.14Å; Q569-W679 HydrophobicContact CG-CZ2 3.64Å; Q569-W679 HydrophobicContact CG-CZ3 4.33Å
570	S	98.9	Very high	98.7	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.066	C	C	.	.	B	Isolated β-bridge	trans	-143.1	158.4	161.7	68.6	0	0	0	0	111.1	M606 Q637 P677 S678 K689	S570-M606 VanDerWaalsContact CA-SD 3.57Å; S570-Q637 VanDerWaalsContact CB-OE1 3.3Å; S570-Q637 PolarHBondContact OG-NE2 3.39Å; S570-Q637 PolarHBondContact OG-OE1 2.74Å; S570-P677 WeakPolarHBondContact O-CA 3.4Å; S570-S678 PolarHBondContact N-O 3.09Å; S570-S678 PolarHBondContact O-N 2.99Å; S570-S678 VanDerWaalsContact O-N 3.14Å; S570-K689 PolarHBondContact O-NZ 2.77Å; S570-K689 VanDerWaalsContact OG-CD 3.23Å; S570-K689 WeakPolarHBondContact OG-CD 3.22Å; S570-K689 PolarHBondContact OG-NZ 3.19Å
571	W	98.9	Very high	98.7	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.069	C	C	.	.	P	Polyproline II helix	trans	-77.5	145.5	167.5	-82.7	74.1	0	0	0	111.9	L577 Y588 S593 R596 N603 L630 T633 Q634 P677	W571-L577 HydrophobicContact CE3-CD1 3.76Å; W571-L577 HydrophobicContact CE3-CD2 4.17Å; W571-L577 HydrophobicContact CZ3-CD1 4.09Å; W571-L577 HydrophobicContact CZ3-CD2 3.97Å; W571-Y588 AromaticContact CD1-CE2 3.37Å; W571-Y588 HydrophobicContact CD2-CE2 4.5Å; W571-Y588 AromaticContact CE2-CE2 4Å; W571-Y588 HydrophobicContact CG-CE2 4.15Å; W571-Y588 AromaticContact NE1-CE2 3.21Å; W571-Y588 AromaticContact NE1-CZ 3.69Å; W571-S593 WeakPolarHBondContact CH2-O 3.48Å; W571-S593 WeakPolarHBondContact CH2-OG 3.42Å; W571-S593 WeakPolarHBondContact CZ2-O 3.05Å; W571-R596 HydrophobicContact CH2-CB 4.18Å; W571-N603 PolarHBondContact NE1-OD1 3.39Å; W571-L630 HydrophobicContact CB-CB 4.38Å; W571-L630 HydrophobicContact CB-CD2 3.43Å; W571-L630 VanDerWaalsContact CB-CD2 3.43Å; W571-L630 HydrophobicContact CB-CG 4.45Å; W571-L630 HydrophobicContact CD2-CD2 3.95Å; W571-L630 HydrophobicContact CE3-CD2 4.04Å; W571-L630 HydrophobicContact CG-CD2 3.72Å; W571-T633 PolarHBondContact N-OG1 3.36Å; W571-T633 VanDerWaalsContact N-OG1 3.13Å; W571-Q634 WeakPolarHBondContact O-CG 3.29Å; W571-Q634 PolarHBondContact O-NE2 3.49Å; W571-P677 HydrophobicContact CD2-CB 3.99Å; W571-P677 HydrophobicContact CD2-CG 4.3Å; W571-P677 HydrophobicContact CG-CB 4.07Å; W571-P677 HydrophobicContact CH2-CG 4.07Å; W571-P677 HydrophobicContact CZ2-CB 4.2Å; W571-P677 HydrophobicContact CZ2-CG 3.66Å
572	P	98.9	Very high	98.7	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.084	C	C	.	.	P	Polyproline II helix	trans	-68.8	165.6	169.5	32.2	-36.3	0	0	0	110.7	T576 L577 A676 E683	P572-T576 HydrophobicContact CB-CG2 4.18Å; P572-L577 HydrophobicContact CG-CD1 4.46Å; P572-L577 HydrophobicContact CG-CD2 3.75Å; P572-L577 HydrophobicContact CG-CG 4.02Å; P572-A676 VanDerWaalsContact CD-O 3.31Å; P572-A676 WeakPolarHBondContact CD-O 3.19Å; P572-E683 HydrophobicContact CB-CB 4.28Å; P572-E683 HydrophobicContact CB-CG 3.85Å
573	S	98.8	Very high	98.6	Very high	6 Å²	6	22.4 Å²	22.4	4%	0.042	12%	0.118	C	C	.	.	P	Polyproline II helix	trans	-59.3	153	177.4	69	0	0	0	0	111.8	S575 T576 L577 E683 K687	S573-S575 PolarHBondContact O-N 3.35Å; S573-S575 PolarHBondContact OG-OG 3.03Å; S573-T576 PolarHBondContact O-N 2.92Å; S573-T576 PolarHBondContact OG-OG1 3.3Å; S573-L577 PolarHBondContact O-N 2.94Å; S573-E683 VanDerWaalsContact CB-OE1 3.3Å; S573-E683 WeakPolarHBondContact CB-OE1 3.32Å; S573-E683 WeakPolarHBondContact CB-OE2 3.17Å; S573-E683 PolarHBondContact N-OE1 3.38Å; S573-E683 PolarHBondContact N-OE2 3.09Å; S573-E683 PolarHBondContact OG-OE1 3.14Å; S573-E683 PolarHBondContact OG-OE2 2.68Å; S573-K687 PolarHBondContact OG-NZ 2.8Å
574	F	98.6	Very high	98.5	Very high	42 Å²	42	29.1 Å²	29.1	18%	0.184	15%	0.154	C	C	.	.	H	α-helix	trans	-57.7	-34.6	177.2	-179.6	-107.3	0	0	0	112.3	T576 L577 Q578 W586 L623 F626 T627 L630	F574-T576 PolarHBondContact O-N 3.47Å; F574-L577 PolarHBondContact O-N 2.97Å; F574-L577 VanDerWaalsContact O-N 3.12Å; F574-Q578 HydrophobicContact CE1-CB 4.12Å; F574-Q578 HydrophobicContact CE1-CG 4.18Å; F574-Q578 HydrophobicContact CZ-CB 4.21Å; F574-Q578 HydrophobicContact CZ-CG 4.22Å; F574-Q578 WeakPolarHBondContact O-CB 3Å; F574-Q578 PolarHBondContact O-N 3.18Å; F574-W586 HydrophobicContact CE2-CB 4.37Å; F574-W586 AromaticContact CE2-CD1 3.77Å; F574-W586 AromaticContact CE2-CD2 3.63Å; F574-W586 HydrophobicContact CE2-CD2 3.63Å; F574-W586 AromaticContact CE2-CE2 3.75Å; F574-W586 HydrophobicContact CE2-CE3 4.22Å; F574-W586 AromaticContact CE2-CG 3.68Å; F574-W586 HydrophobicContact CE2-CG 3.68Å; F574-W586 HydrophobicContact CE2-CZ2 4.43Å; F574-W586 AromaticContact CE2-NE1 3.79Å; F574-W586 AromaticContact CZ-CD2 3.64Å; F574-W586 HydrophobicContact CZ-CD2 3.64Å; F574-W586 AromaticContact CZ-CE2 3.61Å; F574-W586 AromaticContact CZ-CE3 3.88Å; F574-W586 HydrophobicContact CZ-CE3 3.88Å; F574-W586 HydrophobicContact CZ-CG 4.21Å; F574-W586 HydrophobicContact CZ-CH2 4.06Å; F574-W586 AromaticContact CZ-CZ2 3.84Å; F574-W586 HydrophobicContact CZ-CZ2 3.84Å; F574-W586 HydrophobicContact CZ-CZ3 4.07Å; F574-L623 HydrophobicContact CD2-CD1 4.34Å; F574-L623 HydrophobicContact CE1-CD1 4.44Å; F574-L623 HydrophobicContact CE2-CD1 3.75Å; F574-L623 HydrophobicContact CZ-CD1 3.81Å; F574-F626 HydrophobicContact CD2-CD1 4.11Å; F574-F626 AromaticContact CD2-CE1 3.92Å; F574-F626 HydrophobicContact CD2-CE1 3.92Å; F574-F626 HydrophobicContact CE2-CD1 4.35Å; F574-F626 HydrophobicContact CE2-CE1 4.24Å; F574-T627 HydrophobicContact CB-CG2 3.94Å; F574-T627 HydrophobicContact CD2-CG2 4.22Å; F574-T627 HydrophobicContact CG-CG2 3.96Å; F574-L630 HydrophobicContact CB-CD1 3.99Å
575	S	98	Very high	98.5	Very high	9 Å²	9	29.4 Å²	29.4	6%	0.063	16%	0.155	C	C	.	.	H	α-helix	trans	-62.5	-32.7	179.3	70.3	0	0	0	0	112.4	S573 P579 K687 G846 N847	S573-S575 PolarHBondContact O-N 3.35Å; S573-S575 PolarHBondContact OG-OG 3.03Å; S575-P579 WeakPolarHBondContact O-CD 3.37Å; S575-K687 PolarHBondContact OG-NZ 3.38Å; S575-G846 PolarHBondContact OG-O 3.38Å; S575-N847 VanDerWaalsContact CB-OD1 3.27Å; S575-N847 WeakPolarHBondContact CB-OD1 3.23Å; S575-N847 PolarHBondContact O-OD1 3.29Å
576	T	98.6	Very high	98.5	Very high	14 Å²	14	31.6 Å²	31.6	9%	0.086	16%	0.163	C	C	.	.	H	α-helix	trans	-75.3	-35.5	175.2	-63	0	0	0	0	111.6	P572 S573 F574 P579 Q675 E683	P572-T576 HydrophobicContact CB-CG2 4.18Å; S573-T576 PolarHBondContact O-N 2.92Å; S573-T576 PolarHBondContact OG-OG1 3.3Å; F574-T576 PolarHBondContact O-N 3.47Å; T576-P579 WeakPolarHBondContact O-CD 3.34Å; T576-Q675 HydrophobicContact CG2-CB 4.03Å; T576-Q675 HydrophobicContact CG2-CG 3.52Å; T576-Q675 WeakPolarHBondContact O-CG 3.45Å; T576-E683 VanDerWaalsContact CB-OE2 3.26Å; T576-E683 WeakPolarHBondContact CB-OE2 3.43Å; T576-E683 HydrophobicContact CG2-CB 4.33Å; T576-E683 PolarHBondContact OG1-OE2 3.33Å
577	L	98.7	Very high	98.5	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-77.1	-34.2	179.4	-63.7	170.2	0	0	0	113.4	W571 P572 S573 F574 V580 S581 F592 F626 L630 Q675	W571-L577 HydrophobicContact CE3-CD1 3.76Å; W571-L577 HydrophobicContact CE3-CD2 4.17Å; W571-L577 HydrophobicContact CZ3-CD1 4.09Å; W571-L577 HydrophobicContact CZ3-CD2 3.97Å; P572-L577 HydrophobicContact CG-CD1 4.46Å; P572-L577 HydrophobicContact CG-CD2 3.75Å; P572-L577 HydrophobicContact CG-CG 4.02Å; S573-L577 PolarHBondContact O-N 2.94Å; F574-L577 PolarHBondContact O-N 2.97Å; F574-L577 VanDerWaalsContact O-N 3.12Å; L577-V580 WeakPolarHBondContact O-CG2 3.39Å; L577-V580 PolarHBondContact O-N 2.89Å; L577-V580 VanDerWaalsContact O-N 3.13Å; L577-S581 WeakPolarHBondContact O-CB 3.38Å; L577-S581 PolarHBondContact O-N 2.89Å; L577-S581 PolarHBondContact O-OG 3.1Å; L577-F592 HydrophobicContact CD2-CE1 4.43Å; L577-F626 HydrophobicContact CD1-CE1 4.28Å; L577-F626 HydrophobicContact CD1-CZ 3.94Å; L577-L630 HydrophobicContact CD1-CD1 3.82Å; L577-L630 HydrophobicContact CD1-CD2 4.22Å; L577-Q675 HydrophobicContact CD2-CB 4.39Å
578	Q	98	Very high	98.4	Very high	85 Å²	85	35 Å²	35	40%	0.397	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-56.5	-43.3	-171.5	-175.6	-167.6	-0	0	0	113.7	F574 V580 S581 W586	F574-Q578 HydrophobicContact CE1-CB 4.12Å; F574-Q578 HydrophobicContact CE1-CG 4.18Å; F574-Q578 HydrophobicContact CZ-CB 4.21Å; F574-Q578 HydrophobicContact CZ-CG 4.22Å; F574-Q578 WeakPolarHBondContact O-CB 3Å; F574-Q578 PolarHBondContact O-N 3.18Å; Q578-V580 PolarHBondContact O-N 2.82Å; Q578-S581 PolarHBondContact O-N 2.87Å; Q578-W586 HydrophobicContact CG-CZ2 4.05Å
579	P	97.9	Very high	98.3	Very high	77 Å²	77	39.4 Å²	39.4	50%	0.5	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-65.5	-20.7	-179.2	-22.4	34.8	0	0	0	114.1	S575 T576	S575-P579 WeakPolarHBondContact O-CD 3.37Å; T576-P579 WeakPolarHBondContact O-CD 3.34Å
580	V	98.5	Very high	98.3	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.006	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-111.5	10.8	-174.9	-64.8	0	0	0	0	113.7	Y72 R74 L577 Q578 F592 Q675	Y72-V580 VanDerWaalsContact O-CB 3.25Å; Y72-V580 WeakPolarHBondContact O-CB 3.41Å; Y72-V580 VanDerWaalsContact O-CG1 3.29Å; Y72-V580 WeakPolarHBondContact O-CG1 3.23Å; R74-V580 WeakPolarHBondContact CG-O 3.35Å; R74-V580 PolarHBondContact N-O 2.9Å; L577-V580 WeakPolarHBondContact O-CG2 3.39Å; L577-V580 PolarHBondContact O-N 2.89Å; L577-V580 VanDerWaalsContact O-N 3.13Å; Q578-V580 PolarHBondContact O-N 2.82Å; V580-F592 HydrophobicContact CG2-CZ 4.37Å; V580-Q675 HydrophobicContact CG2-CB 3.88Å; V580-Q675 HydrophobicContact CG2-CG 4.06Å
581	S	98.6	Very high	98.2	Very high	9 Å²	9	46 Å²	46	6%	0.063	25%	0.252	C	S	.	.			trans	-139.5	167.8	-176.1	60.3	0	0	0	0	111.7	L577 Q578 W586	L577-S581 WeakPolarHBondContact O-CB 3.38Å; L577-S581 PolarHBondContact O-N 2.89Å; L577-S581 PolarHBondContact O-OG 3.1Å; Q578-S581 PolarHBondContact O-N 2.87Å; S581-W586 PolarHBondContact OG-NE1 3.23Å
582	V	98.4	Very high	98.2	Very high	54 Å²	54	46.1 Å²	46.1	33%	0.327	25%	0.252	S	S	.	.			trans	-119.3	170.8	172.3	-61.8	0	0	0	0	111.1	F73 D584 D585 W586	F73-V582 HydrophobicContact CE2-CG1 4.46Å; F73-V582 HydrophobicContact CZ-CG1 3.86Å; V582-D584 PolarHBondContact O-N 2.99Å; V582-D584 VanDerWaalsContact O-N 3.13Å; V582-D585 WeakPolarHBondContact CG2-OD2 3.48Å; V582-D585 PolarHBondContact N-OD2 3.42Å; V582-D585 WeakPolarHBondContact O-CA 3.27Å; V582-D585 VanDerWaalsContact O-CB 3.23Å; V582-D585 WeakPolarHBondContact O-CB 3.26Å; V582-D585 PolarHBondContact O-N 2.77Å; V582-W586 VanDerWaalsContact O-CD1 3.29Å; V582-W586 PolarHBondContact O-NE1 3.27Å
583	Q	97.9	Very high	98.2	Very high	152 Å²	152	46.1 Å²	46.1	71%	0.71	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-53.3	-38.2	-175.5	-174.1	174.6	-6.3	0	0	114.2	D585 W586	Q583-D585 PolarHBondContact O-N 3.22Å; Q583-W586 HydrophobicContact CB-CE3 4.23Å; Q583-W586 HydrophobicContact CB-CH2 4.49Å; Q583-W586 HydrophobicContact CB-CZ3 4.16Å; Q583-W586 HydrophobicContact CG-CE3 4.06Å; Q583-W586 HydrophobicContact CG-CZ3 4.11Å; Q583-W586 PolarHBondContact O-N 3.28Å
584	D	97.6	Very high	98.2	Very high	143 Å²	143	48.7 Å²	48.7	77%	0.765	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-67.8	-17.2	178.7	-66.6	-15.2	0	0	0	113.4	V582	V582-D584 PolarHBondContact O-N 2.99Å; V582-D584 VanDerWaalsContact O-N 3.13Å
585	D	98.6	Very high	98.2	Very high	5 Å²	5	47.7 Å²	47.7	3%	0.027	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-84.8	-16.4	179.3	-61.4	-30.9	0	0	0	112.5	R74 V582 Q583 S587 S590 F592	R74-D585 WeakPolarHBondContact CD-OD2 3.32Å; R74-D585 IonicContact CZ-OD1 3.75Å; R74-D585 IonicContact CZ-OD2 2.57Å; R74-D585 IonicContact NE-OD1 3.36Å; R74-D585 PolarHBondContact NE-OD1 2.8Å; R74-D585 IonicContact NE-OD2 3.5Å; R74-D585 PolarHBondContact NE-OD2 2.94Å; R74-D585 IonicContact NH2-OD1 3.74Å; R74-D585 PolarHBondContact NH2-OD1 2.87Å; R74-D585 IonicContact NH2-OD2 3.33Å; V582-D585 WeakPolarHBondContact CG2-OD2 3.48Å; V582-D585 PolarHBondContact N-OD2 3.42Å; V582-D585 WeakPolarHBondContact O-CA 3.27Å; V582-D585 VanDerWaalsContact O-CB 3.23Å; V582-D585 WeakPolarHBondContact O-CB 3.26Å; V582-D585 PolarHBondContact O-N 2.77Å; Q583-D585 PolarHBondContact O-N 3.22Å; D585-S587 PolarHBondContact O-N 3.26Å; D585-S590 WeakPolarHBondContact O-CB 3.36Å; D585-S590 PolarHBondContact O-OG 3.12Å; D585-F592 HydrophobicContact CB-CB 3.53Å; D585-F592 HydrophobicContact CB-CD1 3.83Å; D585-F592 HydrophobicContact CB-CG 3.71Å; D585-F592 VanDerWaalsContact CG-CB 3.43Å; D585-F592 WeakPolarHBondContact OD1-CB 3.47Å
586	W	98.4	Very high	98.2	Very high	50 Å²	50	47.3 Å²	47.3	19%	0.189	26%	0.264	C	S	.	.			trans	-80.5	57.7	-169.4	-57.3	-17.2	0	0	0	113.3	F574 Q578 S581 V582 Q583 L623 F626	F574-W586 HydrophobicContact CE2-CB 4.37Å; F574-W586 AromaticContact CE2-CD1 3.77Å; F574-W586 AromaticContact CE2-CD2 3.63Å; F574-W586 HydrophobicContact CE2-CD2 3.63Å; F574-W586 AromaticContact CE2-CE2 3.75Å; F574-W586 HydrophobicContact CE2-CE3 4.22Å; F574-W586 AromaticContact CE2-CG 3.68Å; F574-W586 HydrophobicContact CE2-CG 3.68Å; F574-W586 HydrophobicContact CE2-CZ2 4.43Å; F574-W586 AromaticContact CE2-NE1 3.79Å; F574-W586 AromaticContact CZ-CD2 3.64Å; F574-W586 HydrophobicContact CZ-CD2 3.64Å; F574-W586 AromaticContact CZ-CE2 3.61Å; F574-W586 AromaticContact CZ-CE3 3.88Å; F574-W586 HydrophobicContact CZ-CE3 3.88Å; F574-W586 HydrophobicContact CZ-CG 4.21Å; F574-W586 HydrophobicContact CZ-CH2 4.06Å; F574-W586 AromaticContact CZ-CZ2 3.84Å; F574-W586 HydrophobicContact CZ-CZ2 3.84Å; F574-W586 HydrophobicContact CZ-CZ3 4.07Å; Q578-W586 HydrophobicContact CG-CZ2 4.05Å; S581-W586 PolarHBondContact OG-NE1 3.23Å; V582-W586 VanDerWaalsContact O-CD1 3.29Å; V582-W586 PolarHBondContact O-NE1 3.27Å; Q583-W586 HydrophobicContact CB-CE3 4.23Å; Q583-W586 HydrophobicContact CB-CH2 4.49Å; Q583-W586 HydrophobicContact CB-CZ3 4.16Å; Q583-W586 HydrophobicContact CG-CE3 4.06Å; Q583-W586 HydrophobicContact CG-CZ3 4.11Å; Q583-W586 PolarHBondContact O-N 3.28Å; W586-L623 HydrophobicContact CB-CD1 4.19Å; W586-L623 HydrophobicContact CD2-CD1 4.31Å; W586-L623 HydrophobicContact CE3-CD1 3.86Å; W586-L623 HydrophobicContact CE3-CD2 4.4Å; W586-L623 HydrophobicContact CG-CD1 4.49Å; W586-F626 HydrophobicContact CB-CD1 3.87Å; W586-F626 HydrophobicContact CB-CE1 4.14Å; W586-F626 WeakPolarHBondContact O-CB 3.34Å
587	S	98.1	Very high	98.3	Very high	45 Å²	45	47 Å²	47	32%	0.315	26%	0.261	S	S	.	.	S	Bend	trans	-145.2	141.1	172.8	171.4	0	0	0	0	109	D585 S589 S590 S593	D585-S587 PolarHBondContact O-N 3.26Å; S587-S589 PolarHBondContact O-N 2.93Å; S587-S589 VanDerWaalsContact O-N 3.1Å; S587-S589 PolarHBondContact OG-N 3.36Å; S587-S589 PolarHBondContact OG-OG 3.39Å; S587-S590 VanDerWaalsContact O-CB 3.27Å; S587-S590 WeakPolarHBondContact O-CB 3.4Å; S587-S590 PolarHBondContact O-N 2.96Å; S587-S590 PolarHBondContact O-OG 2.86Å; S587-S590 VanDerWaalsContact O-OG 3.09Å; S587-S593 PolarHBondContact O-OG 3.41Å; S587-S593 VanDerWaalsContact O-OG 3.12Å
588	Y	98.1	Very high	98.3	Very high	28 Å²	28	47 Å²	47	11%	0.11	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-22.8	-180	-162.4	-102.8	0	0	0	113.6	W571 N603 L607 F626 T629 T633	W571-Y588 AromaticContact CD1-CE2 3.37Å; W571-Y588 HydrophobicContact CD2-CE2 4.5Å; W571-Y588 AromaticContact CE2-CE2 4Å; W571-Y588 HydrophobicContact CG-CE2 4.15Å; W571-Y588 AromaticContact NE1-CE2 3.21Å; W571-Y588 AromaticContact NE1-CZ 3.69Å; Y588-N603 HydrophobicContact CE1-CB 3.68Å; Y588-N603 WeakPolarHBondContact CE1-O 3.25Å; Y588-N603 WeakPolarHBondContact OH-CA 3.43Å; Y588-N603 PolarHBondContact OH-O 2.78Å; Y588-L607 HydrophobicContact CD1-CD1 3.78Å; Y588-L607 HydrophobicContact CD1-CG 4.39Å; Y588-L607 HydrophobicContact CE1-CD1 3.45Å; Y588-L607 VanDerWaalsContact CE1-CD1 3.45Å; Y588-L607 HydrophobicContact CE1-CD2 4.15Å; Y588-L607 HydrophobicContact CE1-CG 3.64Å; Y588-F626 VanDerWaalsContact N-CD2 3.34Å; Y588-T629 HydrophobicContact CD1-CG2 4.36Å; Y588-T629 HydrophobicContact CD2-CG2 3.48Å; Y588-T629 VanDerWaalsContact CD2-CG2 3.48Å; Y588-T629 HydrophobicContact CE2-CG2 3.71Å; Y588-T629 HydrophobicContact CG-CG2 3.83Å; Y588-T633 HydrophobicContact CE2-CG2 4.38Å
589	S	95.3	Very high	98.3	Very high	99 Å²	99	44.5 Å²	44.5	69%	0.692	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.9	11.5	178.4	51.8	0	0	0	0	113.1	S587	S587-S589 PolarHBondContact O-N 2.93Å; S587-S589 VanDerWaalsContact O-N 3.1Å; S587-S589 PolarHBondContact OG-N 3.36Å; S587-S589 PolarHBondContact OG-OG 3.39Å
590	S	98.5	Very high	98.3	Very high	14 Å²	14	47.6 Å²	47.6	10%	0.098	26%	0.257	C	S	.	.	S	Bend	trans	-68.3	160.8	178.6	76.4	0	0	0	0	111.5	D585 S587 F592 S593 S594	D585-S590 WeakPolarHBondContact O-CB 3.36Å; D585-S590 PolarHBondContact O-OG 3.12Å; S587-S590 VanDerWaalsContact O-CB 3.27Å; S587-S590 WeakPolarHBondContact O-CB 3.4Å; S587-S590 PolarHBondContact O-N 2.96Å; S587-S590 PolarHBondContact O-OG 2.86Å; S587-S590 VanDerWaalsContact O-OG 3.09Å; S590-F592 PolarHBondContact O-N 2.64Å; S590-F592 PolarHBondContact OG-N 3.1Å; S590-S593 PolarHBondContact O-N 3.38Å; S590-S593 PolarHBondContact OG-N 3.15Å; S590-S593 PolarHBondContact OG-OG 3.09Å; S590-S594 PolarHBondContact O-N 2.92Å; S590-S594 PolarHBondContact O-OG 3.38Å
591	N	98.4	Very high	98.2	Very high	133 Å²	133	53 Å²	53	71%	0.711	29%	0.286	S	S	*	.	H	α-helix	trans	-61.3	-36.7	171.9	-71.6	-2.2	0	0	0	111.2	F75 H595	F75-N591 HydrophobicContact CZ-CB 4.21Å; N591-H595 WeakPolarHBondContact O-CB 3.4Å; N591-H595 PolarHBondContact O-N 3.06Å
592	F	98.8	Very high	98.2	Very high	1 Å²	1	52.6 Å²	52.6	0%	0.004	28%	0.283	C	S	.	.	H	α-helix	trans	-62.9	-46.6	175.1	169.2	-95.1	0	0	0	111.5	R74 F75 L577 V580 D585 S590 S594 H595 R596	R74-F592 HydrophobicContact CB-CD2 4.43Å; R74-F592 HydrophobicContact CG-CD2 4.46Å; F75-F592 HydrophobicContact CZ-CB 4.11Å; L577-F592 HydrophobicContact CD2-CE1 4.43Å; V580-F592 HydrophobicContact CG2-CZ 4.37Å; D585-F592 HydrophobicContact CB-CB 3.53Å; D585-F592 HydrophobicContact CB-CD1 3.83Å; D585-F592 HydrophobicContact CB-CG 3.71Å; D585-F592 VanDerWaalsContact CG-CB 3.43Å; D585-F592 WeakPolarHBondContact OD1-CB 3.47Å; S590-F592 PolarHBondContact O-N 2.64Å; S590-F592 PolarHBondContact OG-N 3.1Å; F592-S594 VanDerWaalsContact C-N 3.33Å; F592-S594 PolarHBondContact O-N 3.01Å; F592-H595 WeakPolarHBondContact O-CB 3.3Å; F592-H595 PolarHBondContact O-N 3.42Å; F592-R596 HydrophobicContact CD1-CG 4.47Å; F592-R596 HydrophobicContact CD2-CG 4.24Å; F592-R596 HydrophobicContact CE1-CG 4.07Å; F592-R596 HydrophobicContact CE2-CG 3.82Å; F592-R596 HydrophobicContact CZ-CG 3.73Å; F592-R596 WeakPolarHBondContact O-CG 3.07Å; F592-R596 PolarHBondContact O-N 3.2Å
593	S	98.7	Very high	98.2	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-65.7	-37.7	-179.2	-75.4	0	0	0	0	112.7	W571 S587 S590 Q597	W571-S593 WeakPolarHBondContact CH2-O 3.48Å; W571-S593 WeakPolarHBondContact CH2-OG 3.42Å; W571-S593 WeakPolarHBondContact CZ2-O 3.05Å; S587-S593 PolarHBondContact O-OG 3.41Å; S587-S593 VanDerWaalsContact O-OG 3.12Å; S590-S593 PolarHBondContact O-N 3.38Å; S590-S593 PolarHBondContact OG-N 3.15Å; S590-S593 PolarHBondContact OG-OG 3.09Å; S593-Q597 PolarHBondContact O-N 3.36Å
594	S	98.4	Very high	98.3	Very high	61 Å²	61	48.9 Å²	48.9	43%	0.427	26%	0.263	S	S	.	.	H	α-helix	trans	-71.6	-32.4	175	-52.6	0	0	0	0	112.4	K184 S590 F592	K184-S594 PolarHBondContact NZ-O 3.01Å; S590-S594 PolarHBondContact O-N 2.92Å; S590-S594 PolarHBondContact O-OG 3.38Å; F592-S594 VanDerWaalsContact C-N 3.33Å; F592-S594 PolarHBondContact O-N 3.01Å
595	H	98.8	Very high	98.3	Very high	21 Å²	21	42.7 Å²	42.7	10%	0.097	23%	0.23	C	C	.	.	H	α-helix	trans	-67.7	-44.8	174.5	180	76.8	0	0	0	111.8	F75 D77 K184 N591 F592 Q597 H598	F75-H595 HydrophobicContact CD1-CB 3.82Å; F75-H595 AromaticContact CD1-CD2 3.59Å; F75-H595 AromaticContact CD1-CG 3.42Å; F75-H595 VanDerWaalsContact CD1-CG 3.42Å; F75-H595 AromaticContact CD1-ND1 3.76Å; F75-H595 AromaticContact CD1-NE2 4Å; F75-H595 HydrophobicContact CE1-CB 3.53Å; F75-H595 AromaticContact CE1-CG 3.71Å; D77-H595 IonicContact OD1-CD2 2.64Å; D77-H595 IonicContact OD1-CE1 3.29Å; D77-H595 IonicContact OD1-NE2 2.66Å; D77-H595 PolarHBondContact OD1-NE2 3.01Å; D77-H595 IonicContact OD2-CE1 3.25Å; D77-H595 PolarHBondContact OD2-CE1 2.02Å; D77-H595 IonicContact OD2-NE2 2.96Å; D77-H595 PolarHBondContact OD2-NE2 3.43Å; K184-H595 PolarHBondContact NZ-O 3.32Å; N591-H595 WeakPolarHBondContact O-CB 3.4Å; N591-H595 PolarHBondContact O-N 3.06Å; F592-H595 WeakPolarHBondContact O-CB 3.3Å; F592-H595 PolarHBondContact O-N 3.42Å; H595-Q597 VanDerWaalsContact C-N 3.31Å; H595-Q597 PolarHBondContact O-N 3.36Å; H595-H598 PolarHBondContact O-CD2 2.81Å; H595-H598 PolarHBondContact O-NE2 3.23Å
596	R	98.8	Very high	98.3	Very high	1 Å²	1	42.8 Å²	42.8	0%	0.004	23%	0.23	C	C	.	.	H	α-helix	trans	-69.6	-24.8	178.1	-69.8	-67.6	171.5	137.1	-8.7	114.4	Y72 R74 W571 F592 H598 W674 Q675 A676	Y72-R596 PolarHBondContact O-NH2 2.91Å; R74-R596 PolarHBondContact O-NE 2.87Å; R74-R596 PolarHBondContact O-NH2 3.37Å; W571-R596 HydrophobicContact CH2-CB 4.18Å; F592-R596 HydrophobicContact CD1-CG 4.47Å; F592-R596 HydrophobicContact CD2-CG 4.24Å; F592-R596 HydrophobicContact CE1-CG 4.07Å; F592-R596 HydrophobicContact CE2-CG 3.82Å; F592-R596 HydrophobicContact CZ-CG 3.73Å; F592-R596 WeakPolarHBondContact O-CG 3.07Å; F592-R596 PolarHBondContact O-N 3.2Å; R596-H598 PolarHBondContact O-CD2 3.45Å; R596-H598 PolarHBondContact O-N 3.35Å; R596-W674 VanDerWaalsContact CD-CH2 3.46Å; R596-Q675 WeakPolarHBondContact CD-O 3.44Å; R596-Q675 PolarHBondContact NH1-O 2.72Å; R596-A676 HydrophobicContact CB-CB 4.33Å
597	Q	98.8	Very high	98.3	Very high	8 Å²	8	42.3 Å²	42.3	4%	0.037	23%	0.231	C	C	.	.			trans	-72.1	118.3	173.3	179	55.6	-91.6	0	0	109.6	V182 K184 S593 H595 H599 N603 P677	V182-Q597 WeakPolarHBondContact CG2-O 3.09Å; K184-Q597 PolarHBondContact NZ-O 3.03Å; S593-Q597 PolarHBondContact O-N 3.36Å; H595-Q597 VanDerWaalsContact C-N 3.31Å; H595-Q597 PolarHBondContact O-N 3.36Å; Q597-H599 WeakPolarHBondContact CG-O 3.45Å; Q597-H599 VanDerWaalsContact OE1-CB 3.3Å; Q597-H599 PolarHBondContact OE1-O 3.48Å; Q597-N603 PolarHBondContact NE2-OD1 3.06Å; Q597-N603 VanDerWaalsContact NE2-OD1 3.14Å; Q597-P677 HydrophobicContact CB-CG 4.09Å
598	H	98.8	Very high	98.3	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	23%	0.233	C	C	.	.			trans	-111.3	-5.2	-177.7	-79.1	-151.3	0	0	0	113.1	V182 Q183 W201 D202 G204 H595 R596 W674	V182-H598 WeakPolarHBondContact CG1-O 3.44Å; V182-H598 WeakPolarHBondContact O-CA 3.33Å; Q183-H598 HydrophobicContact CG-CB 4.45Å; Q183-H598 WeakPolarHBondContact CG-O 3.09Å; Q183-H598 PolarHBondContact O-CE1 3.35Å; Q183-H598 PolarHBondContact O-ND1 3.14Å; W201-H598 WeakPolarHBondContact O-CB 3.03Å; W201-H598 PolarHBondContact O-ND1 2.74Å; W201-H598 VanDerWaalsContact O-ND1 3.11Å; D202-H598 WeakPolarHBondContact CA-O 3.31Å; D202-H598 CarbonylContact O-C 3.59Å; D202-H598 VanDerWaalsContact O-C 3.26Å; D202-H598 WeakPolarHBondContact O-CB 3.31Å; G204-H598 PolarHBondContact O-CE1 3.02Å; G204-H598 VanDerWaalsContact O-CE1 3.23Å; G204-H598 PolarHBondContact O-ND1 3.22Å; H595-H598 PolarHBondContact O-CD2 2.81Å; H595-H598 PolarHBondContact O-NE2 3.23Å; R596-H598 PolarHBondContact O-CD2 3.45Å; R596-H598 PolarHBondContact O-N 3.35Å; H598-W674 AromaticContact CE1-CH2 3.98Å; H598-W674 AromaticContact CE1-CZ2 3.61Å; H598-W674 AromaticContact NE2-CH2 3.72Å; H598-W674 AromaticContact NE2-CZ2 3.56Å
599	H	98.6	Very high	98.4	Very high	32 Å²	32	42.8 Å²	42.8	15%	0.148	23%	0.229	C	C	.	.	S	Bend	trans	-95.9	134.6	169.2	-173.1	72.6	0	0	0	110.4	D202 Y547 Q597 D601 G602 W679	D202-H599 HydrophobicContact CB-CB 4.47Å; D202-H599 PolarHBondContact O-N 3.45Å; D202-H599 IonicContact OD2-ND1 3.03Å; Y547-H599 AromaticContact CD2-NE2 3.92Å; Y547-H599 AromaticContact CE2-CE1 3.74Å; Y547-H599 AromaticContact CE2-NE2 3.34Å; Y547-H599 VanDerWaalsContact CE2-NE2 3.34Å; Y547-H599 WeakPolarHBondContact CE2-NE2 3.48Å; Y547-H599 AromaticContact CZ-NE2 3.82Å; Q597-H599 WeakPolarHBondContact CG-O 3.45Å; Q597-H599 VanDerWaalsContact OE1-CB 3.3Å; Q597-H599 PolarHBondContact OE1-O 3.48Å; H599-D601 PolarHBondContact O-N 2.92Å; H599-G602 PolarHBondContact O-N 3.39Å; H599-G602 VanDerWaalsContact O-N 3.16Å; H599-W679 HydrophobicContact CB-CH2 3.8Å; H599-W679 HydrophobicContact CB-CZ2 4.37Å; H599-W679 AromaticContact CE1-CZ2 3.91Å; H599-W679 AromaticContact CG-CH2 3.67Å; H599-W679 AromaticContact CG-CZ2 3.86Å; H599-W679 AromaticContact ND1-CH2 3.48Å; H599-W679 WeakPolarHBondContact ND1-CH2 3.17Å; H599-W679 AromaticContact ND1-CZ2 3.67Å
600	E	98.1	Very high	98.5	Very high	142 Å²	142	38 Å²	38	66%	0.664	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	128.8	179	-170	167.7	-158.6	0	0	110.4	V182 G602	V182-E600 HydrophobicContact CG1-CB 4.43Å; E600-G602 PolarHBondContact O-N 2.76Å
601	D	97.4	Very high	98.5	Very high	113 Å²	113	39.2 Å²	39.2	60%	0.604	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	12.4	-176.5	-69.1	-27	0	0	0	116.9	H599 N603 H604 L605	H599-D601 PolarHBondContact O-N 2.92Å; D601-N603 VanDerWaalsContact C-N 3.27Å; D601-N603 PolarHBondContact O-N 2.88Å; D601-H604 WeakPolarHBondContact O-CA 3.38Å; D601-H604 WeakPolarHBondContact O-CB 3.32Å; D601-H604 PolarHBondContact O-N 3.35Å; D601-L605 HydrophobicContact CB-CD1 4.34Å; D601-L605 HydrophobicContact CB-CG 4.25Å; D601-L605 WeakPolarHBondContact O-CG 3.4Å; D601-L605 PolarHBondContact O-N 3.5Å
602	G	98.4	Very high	98.6	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-55.6	-36.7	-169.9	0	0	0	0	0	114.7	H599 E600 L605 M606	H599-G602 PolarHBondContact O-N 3.39Å; H599-G602 VanDerWaalsContact O-N 3.16Å; E600-G602 PolarHBondContact O-N 2.76Å; G602-L605 PolarHBondContact O-N 3.26Å; G602-M606 WeakPolarHBondContact O-CB 3.34Å; G602-M606 WeakPolarHBondContact O-CE 3.5Å; G602-M606 WeakPolarHBondContact O-CG 3.45Å; G602-M606 PolarHBondContact O-N 2.68Å
603	N	98.6	Very high	98.5	Very high	21 Å²	21	36.2 Å²	36.2	11%	0.112	19%	0.19	C	C	.	.	H	α-helix	trans	-65.4	-39.4	175	-74.2	-8.9	0	0	0	112.8	W571 Y588 Q597 D601 M606 L607	W571-N603 PolarHBondContact NE1-OD1 3.39Å; Y588-N603 HydrophobicContact CE1-CB 3.68Å; Y588-N603 WeakPolarHBondContact CE1-O 3.25Å; Y588-N603 WeakPolarHBondContact OH-CA 3.43Å; Y588-N603 PolarHBondContact OH-O 2.78Å; Q597-N603 PolarHBondContact NE2-OD1 3.06Å; Q597-N603 VanDerWaalsContact NE2-OD1 3.14Å; D601-N603 VanDerWaalsContact C-N 3.27Å; D601-N603 PolarHBondContact O-N 2.88Å; N603-M606 WeakPolarHBondContact OD1-CE 3.25Å; N603-L607 WeakPolarHBondContact O-CG 3.22Å; N603-L607 PolarHBondContact O-N 3.17Å
604	H	98.4	Very high	98.5	Very high	107 Å²	107	36.5 Å²	36.5	50%	0.495	19%	0.191	S	C	.	.	H	α-helix	trans	-70	-46	177.3	-172.9	56.4	0	0	0	110.9	D601 M606 L607 Q608	D601-H604 WeakPolarHBondContact O-CA 3.38Å; D601-H604 WeakPolarHBondContact O-CB 3.32Å; D601-H604 PolarHBondContact O-N 3.35Å; H604-M606 PolarHBondContact O-N 2.87Å; H604-L607 PolarHBondContact O-N 3.43Å; H604-L607 VanDerWaalsContact O-N 3.15Å; H604-Q608 PolarHBondContact CD2-NE2 3.08Å; H604-Q608 PolarHBondContact NE2-NE2 2.85Å; H604-Q608 WeakPolarHBondContact O-CG 3.49Å; H604-Q608 PolarHBondContact O-N 2.68Å
605	L	98.6	Very high	98.5	Very high	14 Å²	14	36.6 Å²	36.6	7%	0.073	19%	0.186	C	C	.	.	H	α-helix	trans	-58.8	-43.6	179.4	-64.7	174.1	0	0	0	112	Y547 F548 D601 G602 L607 Q608 Q609	Y547-L605 HydrophobicContact CD2-CD1 3.91Å; Y547-L605 HydrophobicContact CG-CD1 4.12Å; F548-L605 HydrophobicContact CD1-CD2 4Å; F548-L605 HydrophobicContact CE1-CD2 3.35Å; F548-L605 HydrophobicContact CE2-CD2 4.49Å; F548-L605 HydrophobicContact CZ-CD2 3.65Å; D601-L605 HydrophobicContact CB-CD1 4.34Å; D601-L605 HydrophobicContact CB-CG 4.25Å; D601-L605 WeakPolarHBondContact O-CG 3.4Å; D601-L605 PolarHBondContact O-N 3.5Å; G602-L605 PolarHBondContact O-N 3.26Å; L605-L607 PolarHBondContact O-N 3.06Å; L605-Q608 PolarHBondContact O-N 3.22Å; L605-Q609 WeakPolarHBondContact O-CB 3.32Å; L605-Q609 PolarHBondContact O-N 2.81Å
606	M	98.8	Very high	98.5	Very high	6 Å²	6	38.7 Å²	38.7	3%	0.03	20%	0.198	C	C	.	.	H	α-helix	trans	-58.6	-44.1	174.9	-79.8	-173.9	-84.5	0	0	112.7	Q569 S570 G602 N603 H604 A610 T633 M636 P677	Q569-M606 VanDerWaalsContact C-SD 3.6Å; Q569-M606 HydrophobicContact CB-CE 4.2Å; Q569-M606 HydrophobicContact CB-CG 3.88Å; Q569-M606 HydrophobicContact CB-SD 3.73Å; Q569-M606 WeakPolarHBondContact O-CG 3.43Å; S570-M606 VanDerWaalsContact CA-SD 3.57Å; G602-M606 WeakPolarHBondContact O-CB 3.34Å; G602-M606 WeakPolarHBondContact O-CE 3.5Å; G602-M606 WeakPolarHBondContact O-CG 3.45Å; G602-M606 PolarHBondContact O-N 2.68Å; N603-M606 WeakPolarHBondContact OD1-CE 3.25Å; H604-M606 PolarHBondContact O-N 2.87Å; M606-A610 WeakPolarHBondContact O-CB 3.13Å; M606-A610 PolarHBondContact O-N 3Å; M606-T633 HydrophobicContact CB-CG2 4.11Å; M606-T633 HydrophobicContact SD-CG2 4.1Å; M606-M636 HydrophobicContact CB-CE 4.1Å; M606-M636 HydrophobicContact CG-CE 3.95Å; M606-P677 HydrophobicContact CE-CB 3.91Å
607	L	98.7	Very high	98.5	Very high	41 Å²	41	39.4 Å²	39.4	22%	0.215	20%	0.203	C	C	.	.	H	α-helix	trans	-72.8	-36.8	179.7	-67.7	-175.4	0	0	0	112.7	Y588 N603 H604 L605 Q609 A610 A611 L616 T629	Y588-L607 HydrophobicContact CD1-CD1 3.78Å; Y588-L607 HydrophobicContact CD1-CG 4.39Å; Y588-L607 HydrophobicContact CE1-CD1 3.45Å; Y588-L607 VanDerWaalsContact CE1-CD1 3.45Å; Y588-L607 HydrophobicContact CE1-CD2 4.15Å; Y588-L607 HydrophobicContact CE1-CG 3.64Å; N603-L607 WeakPolarHBondContact O-CG 3.22Å; N603-L607 PolarHBondContact O-N 3.17Å; H604-L607 PolarHBondContact O-N 3.43Å; H604-L607 VanDerWaalsContact O-N 3.15Å; L605-L607 PolarHBondContact O-N 3.06Å; L607-Q609 VanDerWaalsContact C-N 3.33Å; L607-A610 PolarHBondContact O-N 3.46Å; L607-A611 VanDerWaalsContact O-CB 3.25Å; L607-A611 WeakPolarHBondContact O-CB 3.43Å; L607-A611 PolarHBondContact O-N 3.26Å; L607-L616 HydrophobicContact CB-CD1 4.45Å; L607-L616 HydrophobicContact CD2-CD2 4.25Å; L607-T629 HydrophobicContact CD2-CG2 3.74Å
608	Q	98.6	Very high	98.2	Very high	76 Å²	76	43.2 Å²	43.2	36%	0.355	22%	0.223	S	C	.	.	H	α-helix	trans	-59.1	-48.4	173.5	-76.4	-172.8	-24.1	0	0	110.3	H604 L605 A611 L612	H604-Q608 PolarHBondContact CD2-NE2 3.08Å; H604-Q608 PolarHBondContact NE2-NE2 2.85Å; H604-Q608 WeakPolarHBondContact O-CG 3.49Å; H604-Q608 PolarHBondContact O-N 2.68Å; L605-Q608 PolarHBondContact O-N 3.22Å; Q608-A611 PolarHBondContact O-N 3.07Å; Q608-L612 PolarHBondContact O-N 2.79Å
609	Q	98.7	Very high	98.1	Very high	6 Å²	6	44.2 Å²	44.2	3%	0.028	23%	0.23	C	C	.	.	H	α-helix	trans	-64.7	-42.6	179.3	-160.7	67.5	-4.3	0	0	112.3	L549 C551 F568 L605 L607 A611 L612 M636	L549-Q609 PolarHBondContact O-NE2 2.95Å; L549-Q609 PolarHBondContact O-OE1 3.29Å; C551-Q609 PolarHBondContact SG-NE2 3.13Å; C551-Q609 VanDerWaalsContact SG-NE2 3.43Å; F568-Q609 HydrophobicContact CD1-CG 4.48Å; F568-Q609 HydrophobicContact CE1-CG 4.42Å; L605-Q609 WeakPolarHBondContact O-CB 3.32Å; L605-Q609 PolarHBondContact O-N 2.81Å; L607-Q609 VanDerWaalsContact C-N 3.33Å; Q609-A611 VanDerWaalsContact C-N 3.31Å; Q609-A611 PolarHBondContact O-N 2.9Å; Q609-L612 WeakPolarHBondContact O-CB 3.3Å; Q609-L612 PolarHBondContact O-N 3.12Å; Q609-M636 HydrophobicContact CB-CE 4.39Å; Q609-M636 HydrophobicContact CB-CG 4Å; Q609-M636 HydrophobicContact CB-SD 3.94Å; Q609-M636 HydrophobicContact CG-CG 3.89Å; Q609-M636 HydrophobicContact CG-SD 3.71Å
610	A	98.8	Very high	98	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.6	-39.8	175.2	0	0	0	0	0	111.8	M606 L607 L612 H613 F614 L616 V632 M636	M606-A610 WeakPolarHBondContact O-CB 3.13Å; M606-A610 PolarHBondContact O-N 3Å; L607-A610 PolarHBondContact O-N 3.46Å; A610-L612 PolarHBondContact O-N 3.05Å; A610-H613 PolarHBondContact O-N 3.12Å; A610-F614 WeakPolarHBondContact O-CB 3.43Å; A610-F614 WeakPolarHBondContact O-CD2 3.29Å; A610-F614 PolarHBondContact O-N 2.83Å; A610-L616 HydrophobicContact CB-CD2 3.96Å; A610-V632 HydrophobicContact CB-CG1 4.47Å; A610-V632 HydrophobicContact CB-CG2 4.42Å; A610-M636 HydrophobicContact CB-CB 4.11Å; A610-M636 HydrophobicContact CB-CG 4.25Å
611	A	98.6	Very high	97.9	Very high	38 Å²	38	48.6 Å²	48.6	31%	0.314	26%	0.257	S	S	.	.	H	α-helix	trans	-67.1	-16.9	-179.6	0	0	0	0	0	114	L607 Q608 Q609 H613 L616 K807	L607-A611 VanDerWaalsContact O-CB 3.25Å; L607-A611 WeakPolarHBondContact O-CB 3.43Å; L607-A611 PolarHBondContact O-N 3.26Å; Q608-A611 PolarHBondContact O-N 3.07Å; Q609-A611 VanDerWaalsContact C-N 3.31Å; Q609-A611 PolarHBondContact O-N 2.9Å; A611-H613 VanDerWaalsContact C-N 3.28Å; A611-H613 PolarHBondContact O-N 3.4Å; A611-L616 HydrophobicContact CB-CD1 4.16Å; A611-L616 HydrophobicContact CB-CD2 4.32Å; A611-L616 HydrophobicContact CB-CG 4.15Å; A611-K807 PolarHBondContact O-NZ 2.87Å
612	L	98.6	Very high	97.8	Very high	62 Å²	62	47.6 Å²	47.6	33%	0.325	26%	0.257	S	S	.	.	H	α-helix	trans	-61.6	-36.3	174.4	-67	179	0	0	0	112	D550 Q608 Q609 A610 K807	D550-L612 HydrophobicContact CB-CD1 4.03Å; Q608-L612 PolarHBondContact O-N 2.79Å; Q609-L612 WeakPolarHBondContact O-CB 3.3Å; Q609-L612 PolarHBondContact O-N 3.12Å; A610-L612 PolarHBondContact O-N 3.05Å; L612-K807 WeakPolarHBondContact O-CE 3.36Å; L612-K807 PolarHBondContact O-NZ 3.34Å
613	H	98.6	Very high	97.8	Very high	9 Å²	9	51.2 Å²	51.2	4%	0.042	28%	0.275	C	S	.	.	H	α-helix	trans	-126.5	-14.3	-176.2	-55.3	-66.8	0	0	0	115.7	D550 W552 A610 A611 S805 P806 K807	D550-H613 IonicContact OD1-CD2 2.74Å; D550-H613 IonicContact OD1-CE1 3.46Å; D550-H613 IonicContact OD1-NE2 2.71Å; D550-H613 PolarHBondContact OD1-NE2 2.73Å; D550-H613 IonicContact OD2-CE1 2.64Å; D550-H613 PolarHBondContact OD2-CE1 2.87Å; D550-H613 VanDerWaalsContact OD2-CE1 3.23Å; D550-H613 IonicContact OD2-NE2 2.66Å; D550-H613 PolarHBondContact OD2-NE2 3.12Å; W552-H613 AromaticContact CD1-CD2 3.8Å; W552-H613 AromaticContact CD1-NE2 3.84Å; W552-H613 AromaticContact CD2-CD2 3.6Å; W552-H613 AromaticContact CD2-CE1 3.79Å; W552-H613 AromaticContact CD2-CG 3.73Å; W552-H613 AromaticContact CD2-ND1 3.85Å; W552-H613 AromaticContact CD2-NE2 3.66Å; W552-H613 AromaticContact CE2-CD2 3.71Å; W552-H613 AromaticContact CE2-CG 3.85Å; W552-H613 AromaticContact CE3-CE1 3.8Å; W552-H613 AromaticContact CE3-CG 3.85Å; W552-H613 AromaticContact CE3-ND1 3.61Å; W552-H613 AromaticContact CG-CD2 3.69Å; W552-H613 AromaticContact CG-CE1 3.86Å; W552-H613 AromaticContact CG-NE2 3.42Å; W552-H613 HydrophobicContact CH2-CB 4.13Å; W552-H613 HydrophobicContact CZ2-CB 4.06Å; W552-H613 HydrophobicContact CZ3-CB 4.37Å; W552-H613 AromaticContact NE1-CD2 3.79Å; A610-H613 PolarHBondContact O-N 3.12Å; A611-H613 VanDerWaalsContact C-N 3.28Å; A611-H613 PolarHBondContact O-N 3.4Å; H613-S805 PolarHBondContact ND1-OG 3.28Å; H613-P806 WeakPolarHBondContact O-CD 3.17Å; H613-K807 WeakPolarHBondContact O-CB 3.3Å; H613-K807 WeakPolarHBondContact O-CG 3.39Å; H613-K807 PolarHBondContact O-N 3.41Å
614	F	98.6	Very high	97.7	Very high	6 Å²	6	53.7 Å²	53.7	3%	0.026	29%	0.285	C	S	.	.	S	Bend	trans	-122.2	152.9	-174.6	-52.3	-71.6	0	0	0	112.3	W552 A610 V632 V635 E639 P806 F840 L888	W552-F614 AromaticContact CZ2-CZ 3.94Å; W552-F614 HydrophobicContact CZ2-CZ 3.94Å; A610-F614 WeakPolarHBondContact O-CB 3.43Å; A610-F614 WeakPolarHBondContact O-CD2 3.29Å; A610-F614 PolarHBondContact O-N 2.83Å; F614-V632 HydrophobicContact CB-CG2 4.01Å; F614-V632 HydrophobicContact CD2-CG2 4.45Å; F614-V632 HydrophobicContact CG-CG2 4.28Å; F614-V635 HydrophobicContact CD1-CG1 4.48Å; F614-V635 HydrophobicContact CE1-CG1 3.82Å; F614-V635 HydrophobicContact CE2-CG1 3.94Å; F614-V635 HydrophobicContact CZ-CG1 3.52Å; F614-E639 HydrophobicContact CZ-CG 4.47Å; F614-P806 HydrophobicContact CD1-CB 4.25Å; F614-P806 HydrophobicContact CD1-CG 4.36Å; F614-P806 HydrophobicContact CE1-CB 4.27Å; F614-P806 HydrophobicContact CE1-CG 3.93Å; F614-F840 AromaticContact CE1-CE2 3.71Å; F614-F840 HydrophobicContact CE1-CE2 3.71Å; F614-F840 HydrophobicContact CE1-CZ 4Å; F614-F840 HydrophobicContact CZ-CE2 4.2Å; F614-F840 HydrophobicContact CZ-CZ 4.01Å; F614-L888 HydrophobicContact CD1-CD1 3.75Å; F614-L888 HydrophobicContact CD1-CD2 3.96Å; F614-L888 HydrophobicContact CE1-CD1 4.38Å; F614-L888 HydrophobicContact CE1-CD2 4.21Å; F614-L888 HydrophobicContact CG-CD1 4.48Å
615	I	98.4	Very high	97.7	Very high	64 Å²	64	53.9 Å²	53.9	33%	0.328	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-80.2	123.5	169.2	-58.3	173.4	0	0	0	107.4	K807 Y892	I615-K807 HydrophobicContact CD1-CB 4.42Å; I615-K807 HydrophobicContact CG1-CB 3.61Å; I615-Y892 HydrophobicContact CB-CD1 3.63Å; I615-Y892 HydrophobicContact CB-CD2 4.44Å; I615-Y892 HydrophobicContact CB-CE1 4.09Å; I615-Y892 HydrophobicContact CB-CG 3.81Å; I615-Y892 HydrophobicContact CD1-CD1 4.26Å; I615-Y892 HydrophobicContact CD1-CD2 3.75Å; I615-Y892 HydrophobicContact CD1-CE1 4.22Å; I615-Y892 HydrophobicContact CD1-CE2 3.72Å; I615-Y892 HydrophobicContact CD1-CG 4.02Å; I615-Y892 HydrophobicContact CG1-CD1 4.39Å; I615-Y892 HydrophobicContact CG1-CE1 4.47Å; I615-Y892 HydrophobicContact CG1-CG 4.48Å; I615-Y892 HydrophobicContact CG2-CD1 4.1Å; I615-Y892 HydrophobicContact CG2-CD2 4.46Å; I615-Y892 HydrophobicContact CG2-CG 3.81Å
616	L	98.3	Very high	97.7	Very high	65 Å²	65	53.4 Å²	53.4	34%	0.34	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-68.9	146.1	179.3	-64.2	-175.4	0	0	0	111.3	L607 A610 A611 N618	L607-L616 HydrophobicContact CB-CD1 4.45Å; L607-L616 HydrophobicContact CD2-CD2 4.25Å; A610-L616 HydrophobicContact CB-CD2 3.96Å; A611-L616 HydrophobicContact CB-CD1 4.16Å; A611-L616 HydrophobicContact CB-CD2 4.32Å; A611-L616 HydrophobicContact CB-CG 4.15Å; L616-N618 PolarHBondContact O-N 2.62Å
617	P	97.9	Very high	97.7	Very high	16 Å²	16	55.1 Å²	55.1	10%	0.104	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-59.1	131.4	-177.7	-25.2	33.3	0	0	0	114.3	R625 D628 V632 I891	P617-R625 HydrophobicContact CB-CG 4.45Å; P617-D628 HydrophobicContact CB-CB 3.63Å; P617-D628 HydrophobicContact CG-CB 3.67Å; P617-V632 HydrophobicContact CG-CG1 4.27Å; P617-I891 VanDerWaalsContact CA-O 3.27Å; P617-I891 WeakPolarHBondContact CA-O 3.4Å; P617-I891 HydrophobicContact CB-CB 4.41Å; P617-I891 HydrophobicContact CG-CB 4.2Å; P617-I891 HydrophobicContact CG-CD1 4.24Å; P617-I891 HydrophobicContact CG-CG1 4.33Å
618	N	93.3	Very high	97.7	Very high	88 Å²	88	53.3 Å²	53.3	47%	0.471	28%	0.28	S	S	.	.			trans	-118.7	0.4	-174.3	67.4	17	0	0	0	114	L616 T620 I891 Y892	L616-N618 PolarHBondContact O-N 2.62Å; N618-T620 PolarHBondContact O-N 2.71Å; N618-I891 PolarHBondContact N-O 3.29Å; N618-Y892 PolarHBondContact ND2-OXT 2.92Å; N618-Y892 PolarHBondContact OD1-OXT 2.73Å
619	S	96.4	Very high	97.8	Very high	22 Å²	22	50.3 Å²	50.3	15%	0.154	27%	0.267	C	S	.	.			trans	-47.7	135	-174.4	178	0	0	0	0	112.7	F621 R625	S619-F621 PolarHBondContact O-N 2.73Å; S619-F621 PolarHBondContact OG-N 2.82Å; S619-R625 PolarHBondContact O-NE 2.73Å; S619-R625 PolarHBondContact O-NH2 2.84Å
620	T	95.8	Very high	97.8	Very high	118 Å²	118	50.2 Å²	50.2	72%	0.724	27%	0.267	S	S	*	.	S	Bend	trans	-73.2	-14.3	177.9	54	0	0	0	0	113.2	N618 P622	N618-T620 PolarHBondContact O-N 2.71Å; T620-P622 WeakPolarHBondContact O-CD 3.41Å
621	F	96.9	Very high	97.8	Very high	148 Å²	148	50.9 Å²	50.9	65%	0.649	27%	0.269	S	S	*	.	S	Bend	trans	-87.5	115.8	176.6	-61.8	-78.1	0	0	0	110.3	S619 L623 K624 R625	S619-F621 PolarHBondContact O-N 2.73Å; S619-F621 PolarHBondContact OG-N 2.82Å; F621-L623 PolarHBondContact O-N 2.58Å; F621-K624 HydrophobicContact CB-CB 4.09Å; F621-K624 PolarHBondContact O-N 2.63Å; F621-R625 PolarHBondContact O-N 2.93Å
622	P	95.9	Very high	97.8	Very high	92 Å²	92	49 Å²	49	60%	0.597	25%	0.254	S	S	*	.	H	α-helix	trans	-56.5	-46	-171.3	-29	36	0	0	0	114.5	T620 K624 R625 F626	T620-P622 WeakPolarHBondContact O-CD 3.41Å; P622-K624 PolarHBondContact O-N 3.38Å; P622-R625 PolarHBondContact O-N 2.82Å; P622-F626 WeakPolarHBondContact O-CB 3.25Å; P622-F626 PolarHBondContact O-N 2.94Å
623	L	97.1	Very high	97.8	Very high	76 Å²	76	46.1 Å²	46.1	40%	0.398	24%	0.239	S	C	.	.	H	α-helix	trans	-63.3	-44	179.5	178.4	58.6	0	0	0	111.9	F574 W586 F621 F626 T627	F574-L623 HydrophobicContact CD2-CD1 4.34Å; F574-L623 HydrophobicContact CE1-CD1 4.44Å; F574-L623 HydrophobicContact CE2-CD1 3.75Å; F574-L623 HydrophobicContact CZ-CD1 3.81Å; W586-L623 HydrophobicContact CB-CD1 4.19Å; W586-L623 HydrophobicContact CD2-CD1 4.31Å; W586-L623 HydrophobicContact CE3-CD1 3.86Å; W586-L623 HydrophobicContact CE3-CD2 4.4Å; W586-L623 HydrophobicContact CG-CD1 4.49Å; F621-L623 PolarHBondContact O-N 2.58Å; L623-F626 WeakPolarHBondContact O-CB 3.25Å; L623-F626 PolarHBondContact O-N 3.48Å; L623-T627 HydrophobicContact CD1-CG2 4.15Å; L623-T627 WeakPolarHBondContact O-CG2 3.11Å; L623-T627 PolarHBondContact O-N 3.08Å; L623-T627 PolarHBondContact O-OG1 3.03Å
624	K	97.9	Very high	97.8	Very high	74 Å²	74	45.9 Å²	45.9	32%	0.322	24%	0.238	S	C	.	.	H	α-helix	trans	-63.2	-45	177.3	-178.2	59.5	164.1	78.3	0	110.7	F621 P622 F626 T627 D628 D890	F621-K624 HydrophobicContact CB-CB 4.09Å; F621-K624 PolarHBondContact O-N 2.63Å; P622-K624 PolarHBondContact O-N 3.38Å; K624-F626 VanDerWaalsContact C-N 3.27Å; K624-F626 PolarHBondContact O-N 3.18Å; K624-T627 PolarHBondContact O-N 2.78Å; K624-T627 PolarHBondContact O-OG1 3.12Å; K624-D628 WeakPolarHBondContact CD-OD1 3.23Å; K624-D628 WeakPolarHBondContact CE-OD1 3.39Å; K624-D628 WeakPolarHBondContact CG-OD2 3.44Å; K624-D628 IonicContact NZ-OD1 2.77Å; K624-D628 PolarHBondContact NZ-OD1 2.88Å; K624-D628 IonicContact NZ-OD2 3.67Å; K624-D628 PolarHBondContact NZ-OD2 2.91Å; K624-D628 VanDerWaalsContact O-CB 3.23Å; K624-D628 WeakPolarHBondContact O-CB 3.26Å; K624-D628 PolarHBondContact O-N 2.84Å; K624-D890 PolarHBondContact NZ-O 3.23Å
625	R	98.3	Very high	97.8	Very high	111 Å²	111	45.6 Å²	45.6	42%	0.419	24%	0.237	S	C	.	.	H	α-helix	trans	-57.2	-42.7	174.6	-171	-173.2	-60.1	173.7	-2.8	111.4	P617 S619 F621 P622 T629	P617-R625 HydrophobicContact CB-CG 4.45Å; S619-R625 PolarHBondContact O-NE 2.73Å; S619-R625 PolarHBondContact O-NH2 2.84Å; F621-R625 PolarHBondContact O-N 2.93Å; P622-R625 PolarHBondContact O-N 2.82Å; R625-T629 WeakPolarHBondContact O-CB 3.24Å; R625-T629 PolarHBondContact O-N 2.85Å; R625-T629 PolarHBondContact O-OG1 2.74Å
626	F	98.6	Very high	97.9	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.018	22%	0.222	C	C	.	.	H	α-helix	trans	-62.1	-55.6	176.8	-178.9	-126.7	0	0	0	111.4	F574 L577 W586 Y588 P622 L623 K624 D628 T629 L630	F574-F626 HydrophobicContact CD2-CD1 4.11Å; F574-F626 AromaticContact CD2-CE1 3.92Å; F574-F626 HydrophobicContact CD2-CE1 3.92Å; F574-F626 HydrophobicContact CE2-CD1 4.35Å; F574-F626 HydrophobicContact CE2-CE1 4.24Å; L577-F626 HydrophobicContact CD1-CE1 4.28Å; L577-F626 HydrophobicContact CD1-CZ 3.94Å; W586-F626 HydrophobicContact CB-CD1 3.87Å; W586-F626 HydrophobicContact CB-CE1 4.14Å; W586-F626 WeakPolarHBondContact O-CB 3.34Å; Y588-F626 VanDerWaalsContact N-CD2 3.34Å; P622-F626 WeakPolarHBondContact O-CB 3.25Å; P622-F626 PolarHBondContact O-N 2.94Å; L623-F626 WeakPolarHBondContact O-CB 3.25Å; L623-F626 PolarHBondContact O-N 3.48Å; K624-F626 VanDerWaalsContact C-N 3.27Å; K624-F626 PolarHBondContact O-N 3.18Å; F626-D628 VanDerWaalsContact C-N 3.29Å; F626-D628 PolarHBondContact O-N 2.81Å; F626-T629 WeakPolarHBondContact O-CA 3.41Å; F626-T629 WeakPolarHBondContact O-CB 3.44Å; F626-T629 PolarHBondContact O-N 2.99Å; F626-L630 HydrophobicContact CD1-CD1 4.43Å; F626-L630 HydrophobicContact CD2-CD2 4.24Å; F626-L630 HydrophobicContact CE1-CD1 4.1Å; F626-L630 HydrophobicContact CE2-CD2 3.73Å; F626-L630 HydrophobicContact CE2-CG 4.43Å; F626-L630 HydrophobicContact CZ-CD1 4.22Å; F626-L630 HydrophobicContact CZ-CD2 3.92Å; F626-L630 HydrophobicContact CZ-CG 4.47Å; F626-L630 WeakPolarHBondContact O-CG 3.14Å; F626-L630 PolarHBondContact O-N 2.78Å
627	T	98.6	Very high	97.9	Very high	41 Å²	41	39.7 Å²	39.7	25%	0.252	21%	0.206	S	C	.	.	H	α-helix	trans	-60.6	-37.5	-179.5	57.3	0	0	0	0	113	F574 L623 K624 T629 L630 Y631	F574-T627 HydrophobicContact CB-CG2 3.94Å; F574-T627 HydrophobicContact CD2-CG2 4.22Å; F574-T627 HydrophobicContact CG-CG2 3.96Å; L623-T627 HydrophobicContact CD1-CG2 4.15Å; L623-T627 WeakPolarHBondContact O-CG2 3.11Å; L623-T627 PolarHBondContact O-N 3.08Å; L623-T627 PolarHBondContact O-OG1 3.03Å; K624-T627 PolarHBondContact O-N 2.78Å; K624-T627 PolarHBondContact O-OG1 3.12Å; T627-T629 VanDerWaalsContact C-N 3.28Å; T627-T629 PolarHBondContact O-N 3.14Å; T627-L630 PolarHBondContact O-N 2.81Å; T627-Y631 PolarHBondContact O-N 2.8Å
628	D	98.7	Very high	97.9	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.021	20%	0.201	C	C	.	.	H	α-helix	trans	-65.8	-34.1	175.2	-69.7	-11.1	0	0	0	112.1	P617 K624 F626 Y631 V632 I891	P617-D628 HydrophobicContact CB-CB 3.63Å; P617-D628 HydrophobicContact CG-CB 3.67Å; K624-D628 WeakPolarHBondContact CD-OD1 3.23Å; K624-D628 WeakPolarHBondContact CE-OD1 3.39Å; K624-D628 WeakPolarHBondContact CG-OD2 3.44Å; K624-D628 IonicContact NZ-OD1 2.77Å; K624-D628 PolarHBondContact NZ-OD1 2.88Å; K624-D628 IonicContact NZ-OD2 3.67Å; K624-D628 PolarHBondContact NZ-OD2 2.91Å; K624-D628 VanDerWaalsContact O-CB 3.23Å; K624-D628 WeakPolarHBondContact O-CB 3.26Å; K624-D628 PolarHBondContact O-N 2.84Å; F626-D628 VanDerWaalsContact C-N 3.29Å; F626-D628 PolarHBondContact O-N 2.81Å; D628-Y631 PolarHBondContact O-N 2.82Å; D628-V632 PolarHBondContact O-N 3.23Å; D628-I891 HydrophobicContact CB-CB 3.92Å; D628-I891 HydrophobicContact CB-CG2 3.79Å
629	T	98.9	Very high	98.2	Very high	12 Å²	12	35.1 Å²	35.1	7%	0.074	18%	0.18	C	C	.	.	H	α-helix	trans	-68.7	-42.9	174.8	-54.3	0	0	0	0	110.3	Y588 L607 R625 F626 T627 Y631 V632 T633	Y588-T629 HydrophobicContact CD1-CG2 4.36Å; Y588-T629 HydrophobicContact CD2-CG2 3.48Å; Y588-T629 VanDerWaalsContact CD2-CG2 3.48Å; Y588-T629 HydrophobicContact CE2-CG2 3.71Å; Y588-T629 HydrophobicContact CG-CG2 3.83Å; L607-T629 HydrophobicContact CD2-CG2 3.74Å; R625-T629 WeakPolarHBondContact O-CB 3.24Å; R625-T629 PolarHBondContact O-N 2.85Å; R625-T629 PolarHBondContact O-OG1 2.74Å; F626-T629 WeakPolarHBondContact O-CA 3.41Å; F626-T629 WeakPolarHBondContact O-CB 3.44Å; F626-T629 PolarHBondContact O-N 2.99Å; T627-T629 VanDerWaalsContact C-N 3.28Å; T627-T629 PolarHBondContact O-N 3.14Å; T629-Y631 VanDerWaalsContact C-N 3.32Å; T629-Y631 PolarHBondContact O-N 3.47Å; T629-V632 WeakPolarHBondContact O-CG1 3.36Å; T629-V632 PolarHBondContact O-N 3.15Å; T629-T633 WeakPolarHBondContact O-CG2 3.45Å; T629-T633 PolarHBondContact O-N 3.34Å
630	L	98.8	Very high	98.3	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-57.6	-47.9	174.3	-49.7	178.9	0	0	0	110.4	W571 F574 L577 F626 T627 V632 T633 Q634	W571-L630 HydrophobicContact CB-CB 4.38Å; W571-L630 HydrophobicContact CB-CD2 3.43Å; W571-L630 VanDerWaalsContact CB-CD2 3.43Å; W571-L630 HydrophobicContact CB-CG 4.45Å; W571-L630 HydrophobicContact CD2-CD2 3.95Å; W571-L630 HydrophobicContact CE3-CD2 4.04Å; W571-L630 HydrophobicContact CG-CD2 3.72Å; F574-L630 HydrophobicContact CB-CD1 3.99Å; L577-L630 HydrophobicContact CD1-CD1 3.82Å; L577-L630 HydrophobicContact CD1-CD2 4.22Å; F626-L630 HydrophobicContact CD1-CD1 4.43Å; F626-L630 HydrophobicContact CD2-CD2 4.24Å; F626-L630 HydrophobicContact CE1-CD1 4.1Å; F626-L630 HydrophobicContact CE2-CD2 3.73Å; F626-L630 HydrophobicContact CE2-CG 4.43Å; F626-L630 HydrophobicContact CZ-CD1 4.22Å; F626-L630 HydrophobicContact CZ-CD2 3.92Å; F626-L630 HydrophobicContact CZ-CG 4.47Å; F626-L630 WeakPolarHBondContact O-CG 3.14Å; F626-L630 PolarHBondContact O-N 2.78Å; T627-L630 PolarHBondContact O-N 2.81Å; L630-V632 PolarHBondContact O-N 2.8Å; L630-T633 PolarHBondContact O-N 3.39Å; L630-T633 PolarHBondContact O-OG1 3.4Å; L630-Q634 PolarHBondContact O-N 3.13Å; L630-Q634 VanDerWaalsContact O-N 3.14Å
631	Y	98.9	Very high	98.5	Very high	14 Å²	14	28.5 Å²	28.5	6%	0.055	14%	0.139	C	C	.	.	H	α-helix	trans	-55	-51.5	175.9	166.2	-96.2	0	0	0	112.4	T627 D628 T629 T633 Q634 V635 M690 F840 W842 T886 T887 L888 I891	T627-Y631 PolarHBondContact O-N 2.8Å; D628-Y631 PolarHBondContact O-N 2.82Å; T629-Y631 VanDerWaalsContact C-N 3.32Å; T629-Y631 PolarHBondContact O-N 3.47Å; Y631-T633 VanDerWaalsContact C-N 3.3Å; Y631-T633 PolarHBondContact O-N 2.85Å; Y631-Q634 PolarHBondContact O-N 3.29Å; Y631-Q634 VanDerWaalsContact O-N 3.09Å; Y631-V635 HydrophobicContact CD1-CG2 4.24Å; Y631-V635 HydrophobicContact CD2-CG2 4.31Å; Y631-V635 HydrophobicContact CE1-CG2 3.81Å; Y631-V635 HydrophobicContact CE2-CG2 3.88Å; Y631-V635 HydrophobicContact CG-CG2 4.49Å; Y631-V635 WeakPolarHBondContact O-CG2 3.23Å; Y631-V635 PolarHBondContact O-N 2.93Å; Y631-M690 HydrophobicContact CD2-CE 4.2Å; Y631-M690 HydrophobicContact CE2-CE 3.8Å; Y631-F840 WeakPolarHBondContact OH-CB 3.37Å; Y631-F840 PolarHBondContact OH-O 3.12Å; Y631-W842 HydrophobicContact CD2-CB 3.93Å; Y631-W842 HydrophobicContact CD2-CG 4.18Å; Y631-W842 HydrophobicContact CE2-CB 3.58Å; Y631-W842 HydrophobicContact CE2-CG 4.29Å; Y631-T886 HydrophobicContact CD1-CG2 4.26Å; Y631-T886 HydrophobicContact CD2-CG2 4.08Å; Y631-T886 HydrophobicContact CE1-CG2 4.32Å; Y631-T886 HydrophobicContact CE2-CG2 4.13Å; Y631-T886 HydrophobicContact CG-CG2 4.13Å; Y631-T887 VanDerWaalsContact OH-C 3.32Å; Y631-L888 PolarHBondContact OH-N 3.08Å; Y631-L888 VanDerWaalsContact OH-N 3.12Å; Y631-I891 HydrophobicContact CD1-CD1 4.33Å; Y631-I891 HydrophobicContact CD1-CG2 3.87Å; Y631-I891 HydrophobicContact CE1-CD1 4.31Å; Y631-I891 HydrophobicContact CE1-CG2 4.11Å
632	V	98.9	Very high	98.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-67.6	-30.4	-176.9	83.4	0	0	0	0	112.4	A610 F614 P617 D628 T629 L630 V635 M636 I891	A610-V632 HydrophobicContact CB-CG1 4.47Å; A610-V632 HydrophobicContact CB-CG2 4.42Å; F614-V632 HydrophobicContact CB-CG2 4.01Å; F614-V632 HydrophobicContact CD2-CG2 4.45Å; F614-V632 HydrophobicContact CG-CG2 4.28Å; P617-V632 HydrophobicContact CG-CG1 4.27Å; D628-V632 PolarHBondContact O-N 3.23Å; T629-V632 WeakPolarHBondContact O-CG1 3.36Å; T629-V632 PolarHBondContact O-N 3.15Å; L630-V632 PolarHBondContact O-N 2.8Å; V632-V635 PolarHBondContact O-N 2.83Å; V632-M636 WeakPolarHBondContact O-CB 3.32Å; V632-M636 PolarHBondContact O-N 3.32Å; V632-I891 HydrophobicContact CB-CD1 4.05Å; V632-I891 HydrophobicContact CG2-CD1 3.96Å
633	T	98.9	Very high	98.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-66.6	-36.5	172.2	66.7	0	0	0	0	112.3	W571 Y588 M606 T629 L630 Y631 Q637	W571-T633 PolarHBondContact N-OG1 3.36Å; W571-T633 VanDerWaalsContact N-OG1 3.13Å; Y588-T633 HydrophobicContact CE2-CG2 4.38Å; M606-T633 HydrophobicContact CB-CG2 4.11Å; M606-T633 HydrophobicContact SD-CG2 4.1Å; T629-T633 WeakPolarHBondContact O-CG2 3.45Å; T629-T633 PolarHBondContact O-N 3.34Å; L630-T633 PolarHBondContact O-N 3.39Å; L630-T633 PolarHBondContact O-OG1 3.4Å; Y631-T633 VanDerWaalsContact C-N 3.3Å; Y631-T633 PolarHBondContact O-N 2.85Å; T633-Q637 WeakPolarHBondContact O-CB 3.45Å; T633-Q637 PolarHBondContact O-N 3.3Å
634	Q	98.9	Very high	98.8	Very high	5 Å²	5	15.7 Å²	15.7	2%	0.023	7%	0.073	C	C	.	.	H	α-helix	trans	-70.9	-35.9	174.2	-67.7	-161.4	17.3	0	0	112.3	W571 L630 Y631 A638 E683 K689 M690	W571-Q634 WeakPolarHBondContact O-CG 3.29Å; W571-Q634 PolarHBondContact O-NE2 3.49Å; L630-Q634 PolarHBondContact O-N 3.13Å; L630-Q634 VanDerWaalsContact O-N 3.14Å; Y631-Q634 PolarHBondContact O-N 3.29Å; Y631-Q634 VanDerWaalsContact O-N 3.09Å; Q634-A638 VanDerWaalsContact O-CB 3.23Å; Q634-A638 WeakPolarHBondContact O-CB 3.35Å; Q634-A638 PolarHBondContact O-N 3.25Å; Q634-E683 PolarHBondContact NE2-OE1 3.02Å; Q634-K689 HydrophobicContact CG-CD 4.43Å; Q634-M690 HydrophobicContact CB-CB 4.09Å
635	V	98.9	Very high	98.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-60.3	-50.1	172.2	169.1	0	0	0	0	110.6	F614 Y631 V632 A638 E639 M690 F840	F614-V635 HydrophobicContact CD1-CG1 4.48Å; F614-V635 HydrophobicContact CE1-CG1 3.82Å; F614-V635 HydrophobicContact CE2-CG1 3.94Å; F614-V635 HydrophobicContact CZ-CG1 3.52Å; Y631-V635 HydrophobicContact CD1-CG2 4.24Å; Y631-V635 HydrophobicContact CD2-CG2 4.31Å; Y631-V635 HydrophobicContact CE1-CG2 3.81Å; Y631-V635 HydrophobicContact CE2-CG2 3.88Å; Y631-V635 HydrophobicContact CG-CG2 4.49Å; Y631-V635 WeakPolarHBondContact O-CG2 3.23Å; Y631-V635 PolarHBondContact O-N 2.93Å; V632-V635 PolarHBondContact O-N 2.83Å; V635-A638 PolarHBondContact O-N 2.85Å; V635-E639 PolarHBondContact O-N 2.66Å; V635-M690 HydrophobicContact CB-SD 4.37Å; V635-M690 HydrophobicContact CG2-CE 3.58Å; V635-M690 HydrophobicContact CG2-SD 3.76Å; V635-F840 HydrophobicContact CB-CD1 4.42Å; V635-F840 HydrophobicContact CG1-CD1 3.67Å; V635-F840 HydrophobicContact CG1-CD2 4.02Å; V635-F840 HydrophobicContact CG1-CE1 3.57Å; V635-F840 HydrophobicContact CG1-CE2 4.01Å; V635-F840 HydrophobicContact CG1-CG 3.87Å; V635-F840 HydrophobicContact CG1-CZ 3.78Å; V635-F840 HydrophobicContact CG2-CB 4.04Å; V635-F840 HydrophobicContact CG2-CD1 4.15Å; V635-F840 HydrophobicContact CG2-CG 4.12Å
636	M	98.9	Very high	98.9	Very high	4 Å²	4	7.3 Å²	7.3	2%	0.02	4%	0.039	C	C	.	.	H	α-helix	trans	-57.9	-51.1	177.3	177.2	-79.5	-65.6	0	0	111	F568 Q569 M606 Q609 A610 V632 A638 E639 C640	F568-M636 HydrophobicContact CB-SD 4.3Å; F568-M636 HydrophobicContact CD1-SD 4.26Å; Q569-M636 WeakPolarHBondContact O-CE 3.17Å; M606-M636 HydrophobicContact CB-CE 4.1Å; M606-M636 HydrophobicContact CG-CE 3.95Å; Q609-M636 HydrophobicContact CB-CE 4.39Å; Q609-M636 HydrophobicContact CB-CG 4Å; Q609-M636 HydrophobicContact CB-SD 3.94Å; Q609-M636 HydrophobicContact CG-CG 3.89Å; Q609-M636 HydrophobicContact CG-SD 3.71Å; A610-M636 HydrophobicContact CB-CB 4.11Å; A610-M636 HydrophobicContact CB-CG 4.25Å; V632-M636 WeakPolarHBondContact O-CB 3.32Å; V632-M636 PolarHBondContact O-N 3.32Å; M636-A638 VanDerWaalsContact C-N 3.35Å; M636-A638 PolarHBondContact O-N 3.5Å; M636-E639 PolarHBondContact O-N 2.6Å; M636-C640 WeakPolarHBondContact O-CB 3.45Å; M636-C640 PolarHBondContact O-N 3.11Å; M636-C640 PolarHBondContact O-SG 3.18Å; M636-C640 PolarHBondContact SD-SG 3.04Å
637	Q	98.9	Very high	98.9	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-57.6	-47.6	179	177.3	-169.2	50.9	0	0	111.8	F568 S570 T633 E639 C640 V641 W679 S680 L691	F568-Q637 HydrophobicContact CB-CG 4.44Å; F568-Q637 WeakPolarHBondContact O-CG 3.17Å; F568-Q637 PolarHBondContact O-NE2 3.4Å; S570-Q637 VanDerWaalsContact CB-OE1 3.3Å; S570-Q637 PolarHBondContact OG-NE2 3.39Å; S570-Q637 PolarHBondContact OG-OE1 2.74Å; T633-Q637 WeakPolarHBondContact O-CB 3.45Å; T633-Q637 PolarHBondContact O-N 3.3Å; Q637-E639 PolarHBondContact O-N 2.74Å; Q637-C640 PolarHBondContact O-N 2.92Å; Q637-V641 HydrophobicContact CG-CG2 4.33Å; Q637-V641 WeakPolarHBondContact O-CB 3.35Å; Q637-V641 VanDerWaalsContact O-CG2 3.3Å; Q637-V641 WeakPolarHBondContact O-CG2 3.39Å; Q637-V641 PolarHBondContact O-N 3.15Å; Q637-W679 PolarHBondContact NE2-O 3.45Å; Q637-S680 PolarHBondContact NE2-O 2.91Å; Q637-S680 VanDerWaalsContact NE2-O 3.12Å; Q637-L691 HydrophobicContact CG-CB 4.34Å; Q637-L691 HydrophobicContact CG-CD2 3.93Å
638	A	98.9	Very high	98.9	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-62.1	-43.7	-177.4	0	0	0	0	0	111.7	Q634 V635 M636 K642 M690 F694	Q634-A638 VanDerWaalsContact O-CB 3.23Å; Q634-A638 WeakPolarHBondContact O-CB 3.35Å; Q634-A638 PolarHBondContact O-N 3.25Å; V635-A638 PolarHBondContact O-N 2.85Å; M636-A638 VanDerWaalsContact C-N 3.35Å; M636-A638 PolarHBondContact O-N 3.5Å; A638-K642 WeakPolarHBondContact O-CB 3.34Å; A638-K642 PolarHBondContact O-N 2.94Å; A638-M690 HydrophobicContact CB-CB 4.13Å; A638-M690 HydrophobicContact CB-CG 3.88Å; A638-M690 HydrophobicContact CB-SD 4.24Å; A638-F694 HydrophobicContact CB-CD1 4.29Å; A638-F694 HydrophobicContact CB-CD2 3.61Å; A638-F694 HydrophobicContact CB-CE1 4.41Å; A638-F694 HydrophobicContact CB-CE2 3.71Å; A638-F694 HydrophobicContact CB-CG 3.91Å; A638-F694 HydrophobicContact CB-CZ 4.14Å; A638-F694 WeakPolarHBondContact O-CD2 3.34Å
639	E	98.8	Very high	98.9	Very high	8 Å²	8	5.3 Å²	5.3	4%	0.037	3%	0.027	C	C	.	.	H	α-helix	trans	-67.9	-47.3	176.3	-72.4	-71.4	125	0	0	112.3	W552 F614 V635 M636 Q637 V641 K642 T643 F694 R800 F840	W552-E639 HydrophobicContact CZ2-CB 4.42Å; W552-E639 HydrophobicContact CZ2-CG 4.26Å; F614-E639 HydrophobicContact CZ-CG 4.47Å; V635-E639 PolarHBondContact O-N 2.66Å; M636-E639 PolarHBondContact O-N 2.6Å; Q637-E639 PolarHBondContact O-N 2.74Å; E639-V641 PolarHBondContact O-N 3.22Å; E639-K642 PolarHBondContact O-N 2.86Å; E639-T643 PolarHBondContact O-N 3.32Å; E639-T643 PolarHBondContact O-OG1 3.41Å; E639-F694 HydrophobicContact CG-CE2 4.47Å; E639-F694 VanDerWaalsContact OE1-CE2 3.24Å; E639-F694 WeakPolarHBondContact OE1-CE2 3.34Å; E639-R800 IonicContact OE1-CZ 2.79Å; E639-R800 IonicContact OE1-NE 3.53Å; E639-R800 IonicContact OE1-NH2 3.85Å; E639-R800 PolarHBondContact OE1-NH2 2.92Å; E639-F840 HydrophobicContact CG-CE1 3.52Å; E639-F840 HydrophobicContact CG-CZ 3.62Å; E639-F840 WeakPolarHBondContact OE1-CE1 3.45Å
640	C	98.9	Very high	98.9	Very high	1 Å²	1	4.9 Å²	4.9	1%	0.007	2%	0.024	C	C	.	.	H	α-helix	trans	-59.7	-48.1	-178.7	-67.1	0	0	0	0	111.8	C551 F568 M636 Q637 T643 Q644	C551-C640 HydrophobicContact CB-CB 3.45Å; C551-C640 VanDerWaalsContact CB-CB 3.45Å; C551-C640 WeakPolarHBondContact CB-SG 3.27Å; C551-C640 WeakPolarHBondContact SG-CA 3.36Å; C551-C640 WeakPolarHBondContact SG-CB 3.49Å; C551-C640 CovalentContact SG-SG 2.02Å; C551-C640 PolarHBondContact SG-SG 2.94Å; F568-C640 HydrophobicContact CB-CB 4.29Å; F568-C640 HydrophobicContact CD1-CB 3.98Å; F568-C640 HydrophobicContact CD2-CB 3.41Å; F568-C640 VanDerWaalsContact CD2-CB 3.41Å; F568-C640 HydrophobicContact CE1-CB 4.16Å; F568-C640 HydrophobicContact CE2-CB 3.63Å; F568-C640 HydrophobicContact CG-CB 3.61Å; F568-C640 HydrophobicContact CZ-CB 4.01Å; M636-C640 WeakPolarHBondContact O-CB 3.45Å; M636-C640 PolarHBondContact O-N 3.11Å; M636-C640 PolarHBondContact O-SG 3.18Å; M636-C640 PolarHBondContact SD-SG 3.04Å; Q637-C640 PolarHBondContact O-N 2.92Å; C640-T643 PolarHBondContact O-N 3.05Å; C640-Q644 WeakPolarHBondContact O-CB 3.46Å; C640-Q644 PolarHBondContact O-N 3.43Å
641	V	98.9	Very high	98.9	Very high	1 Å²	1	4.7 Å²	4.7	1%	0.006	2%	0.023	C	C	.	.	H	α-helix	trans	-70.3	-34.7	-179.7	178.7	0	0	0	0	111	Y566 F568 Q637 E639 T645 Y667 L691 F698	Y566-V641 HydrophobicContact CE2-CG1 4.16Å; F568-V641 HydrophobicContact CB-CG2 4.48Å; F568-V641 HydrophobicContact CD2-CG2 4.14Å; Q637-V641 HydrophobicContact CG-CG2 4.33Å; Q637-V641 WeakPolarHBondContact O-CB 3.35Å; Q637-V641 VanDerWaalsContact O-CG2 3.3Å; Q637-V641 WeakPolarHBondContact O-CG2 3.39Å; Q637-V641 PolarHBondContact O-N 3.15Å; E639-V641 PolarHBondContact O-N 3.22Å; V641-T645 VanDerWaalsContact O-CB 3.25Å; V641-T645 WeakPolarHBondContact O-CB 3.41Å; V641-T645 PolarHBondContact O-N 2.79Å; V641-T645 PolarHBondContact O-OG1 3.13Å; V641-Y667 HydrophobicContact CG1-CG 4.32Å; V641-L691 HydrophobicContact CB-CD1 3.57Å; V641-L691 HydrophobicContact CB-CD2 4.5Å; V641-L691 HydrophobicContact CG1-CD1 3.61Å; V641-L691 HydrophobicContact CG1-CD2 4.45Å; V641-L691 HydrophobicContact CG2-CD1 4.11Å; V641-L691 HydrophobicContact CG2-CD2 4.18Å; V641-F698 HydrophobicContact CG1-CZ 4.23Å
642	K	98.9	Very high	98.8	Very high	20 Å²	20	4.4 Å²	4.4	9%	0.087	2%	0.022	C	C	.	.	H	α-helix	trans	-59.3	-53.6	172	174.7	-173.7	177.9	-67.5	0	110.9	A638 E639 Q644 T645 E646 F694 F698 N799	A638-K642 WeakPolarHBondContact O-CB 3.34Å; A638-K642 PolarHBondContact O-N 2.94Å; E639-K642 PolarHBondContact O-N 2.86Å; K642-Q644 VanDerWaalsContact C-N 3.29Å; K642-Q644 PolarHBondContact O-N 3.06Å; K642-T645 PolarHBondContact O-N 3.21Å; K642-E646 WeakPolarHBondContact CE-OE1 3.5Å; K642-E646 HydrophobicContact CG-CG 4.21Å; K642-E646 IonicContact NZ-OE1 3.82Å; K642-E646 PolarHBondContact NZ-OE1 2.88Å; K642-E646 IonicContact NZ-OE2 2.82Å; K642-E646 PolarHBondContact NZ-OE2 3Å; K642-E646 VanDerWaalsContact O-CB 3.29Å; K642-E646 WeakPolarHBondContact O-CB 3.31Å; K642-E646 VanDerWaalsContact O-CG 3.26Å; K642-E646 WeakPolarHBondContact O-CG 3.37Å; K642-E646 PolarHBondContact O-N 3.28Å; K642-F694 HydrophobicContact CB-CD2 4.07Å; K642-F694 HydrophobicContact CD-CD2 3.94Å; K642-F694 HydrophobicContact CD-CE2 4.23Å; K642-F698 HydrophobicContact CB-CD1 4Å; K642-F698 HydrophobicContact CB-CE1 4.4Å; K642-F698 HydrophobicContact CG-CD1 4.22Å; K642-N799 WeakPolarHBondContact CE-OD1 3.22Å; K642-N799 PolarHBondContact NZ-OD1 3.21Å
643	T	98.9	Very high	98.8	Very high	26 Å²	26	7.3 Å²	7.3	16%	0.16	4%	0.042	C	C	.	.	H	α-helix	trans	-56.7	-45.8	-179.4	-56.1	0	0	0	0	110.9	W554 F557 E639 C640 F647	W554-T643 HydrophobicContact CB-CG2 4.39Å; F557-T643 HydrophobicContact CE2-CG2 4Å; E639-T643 PolarHBondContact O-N 3.32Å; E639-T643 PolarHBondContact O-OG1 3.41Å; C640-T643 PolarHBondContact O-N 3.05Å; T643-F647 WeakPolarHBondContact O-CB 3.43Å; T643-F647 PolarHBondContact O-N 2.9Å
644	Q	98.9	Very high	98.7	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.005	5%	0.049	C	C	.	.	H	α-helix	trans	-67.4	-42.4	179.9	-168.8	173.1	7.2	0	0	112.8	F557 Y566 C640 K642 F647 Y648	F557-Q644 HydrophobicContact CD1-CB 4.4Å; F557-Q644 HydrophobicContact CD1-CG 3.83Å; F557-Q644 HydrophobicContact CD2-CB 4.09Å; F557-Q644 HydrophobicContact CD2-CG 3.95Å; F557-Q644 HydrophobicContact CE1-CB 4.02Å; F557-Q644 HydrophobicContact CE1-CG 3.9Å; F557-Q644 VanDerWaalsContact CE2-CA 3.41Å; F557-Q644 HydrophobicContact CE2-CB 3.67Å; F557-Q644 HydrophobicContact CE2-CG 4.02Å; F557-Q644 HydrophobicContact CG-CB 4.44Å; F557-Q644 HydrophobicContact CG-CG 3.87Å; F557-Q644 HydrophobicContact CZ-CB 3.64Å; F557-Q644 HydrophobicContact CZ-CG 4Å; Y566-Q644 HydrophobicContact CD2-CB 4.29Å; Y566-Q644 VanDerWaalsContact CD2-CD 3.42Å; Y566-Q644 HydrophobicContact CD2-CG 3.83Å; Y566-Q644 HydrophobicContact CE2-CB 4.48Å; Y566-Q644 HydrophobicContact CE2-CG 4.28Å; Y566-Q644 HydrophobicContact CG-CG 4.42Å; C640-Q644 WeakPolarHBondContact O-CB 3.46Å; C640-Q644 PolarHBondContact O-N 3.43Å; K642-Q644 VanDerWaalsContact C-N 3.29Å; K642-Q644 PolarHBondContact O-N 3.06Å; Q644-F647 WeakPolarHBondContact O-CB 3.48Å; Q644-F647 PolarHBondContact O-N 3.49Å; Q644-Y648 HydrophobicContact CG-CD2 4.27Å; Q644-Y648 HydrophobicContact CG-CE2 3.52Å; Q644-Y648 PolarHBondContact NE2-OH 3.01Å; Q644-Y648 VanDerWaalsContact O-CD2 3.25Å; Q644-Y648 WeakPolarHBondContact O-CD2 3.36Å; Q644-Y648 PolarHBondContact O-N 2.89Å; Q644-Y648 VanDerWaalsContact O-N 3.12Å
645	T	98.9	Very high	98.6	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-66.9	-44.1	178.8	-54.7	0	0	0	0	111.2	Y566 V641 K642 F647 Y648 R649 A665 F698 F699	Y566-T645 WeakPolarHBondContact CE2-OG1 3.33Å; Y566-T645 PolarHBondContact OH-OG1 3.46Å; Y566-T645 VanDerWaalsContact OH-OG1 3.08Å; V641-T645 VanDerWaalsContact O-CB 3.25Å; V641-T645 WeakPolarHBondContact O-CB 3.41Å; V641-T645 PolarHBondContact O-N 2.79Å; V641-T645 PolarHBondContact O-OG1 3.13Å; K642-T645 PolarHBondContact O-N 3.21Å; T645-F647 VanDerWaalsContact C-N 3.29Å; T645-F647 PolarHBondContact O-N 3.27Å; T645-Y648 PolarHBondContact O-N 3.23Å; T645-Y648 VanDerWaalsContact O-N 3.14Å; T645-R649 HydrophobicContact CG2-CG 4.31Å; T645-R649 WeakPolarHBondContact O-CG 3.45Å; T645-R649 PolarHBondContact O-N 2.88Å; T645-A665 HydrophobicContact CG2-CB 4.45Å; T645-F698 HydrophobicContact CG2-CD2 3.42Å; T645-F698 VanDerWaalsContact CG2-CD2 3.42Å; T645-F698 HydrophobicContact CG2-CE2 3.62Å; T645-F698 HydrophobicContact CG2-CG 4.19Å; T645-F699 HydrophobicContact CG2-CD1 4.13Å; T645-F699 HydrophobicContact CG2-CE1 3.48Å; T645-F699 VanDerWaalsContact CG2-CE1 3.48Å; T645-F699 HydrophobicContact CG2-CZ 4.08Å
646	E	98.9	Very high	98.5	Very high	9 Å²	9	14.5 Å²	14.5	4%	0.042	8%	0.079	C	C	.	.	H	α-helix	trans	-62	-38.2	177.9	-74.6	-176.2	169	0	0	111.7	K642 R649 R650 F698 L703 V705 N799	K642-E646 WeakPolarHBondContact CE-OE1 3.5Å; K642-E646 HydrophobicContact CG-CG 4.21Å; K642-E646 IonicContact NZ-OE1 3.82Å; K642-E646 PolarHBondContact NZ-OE1 2.88Å; K642-E646 IonicContact NZ-OE2 2.82Å; K642-E646 PolarHBondContact NZ-OE2 3Å; K642-E646 VanDerWaalsContact O-CB 3.29Å; K642-E646 WeakPolarHBondContact O-CB 3.31Å; K642-E646 VanDerWaalsContact O-CG 3.26Å; K642-E646 WeakPolarHBondContact O-CG 3.37Å; K642-E646 PolarHBondContact O-N 3.28Å; E646-R649 PolarHBondContact O-N 2.83Å; E646-R650 WeakPolarHBondContact O-CG 3.42Å; E646-R650 PolarHBondContact O-N 3.24Å; E646-F698 HydrophobicContact CG-CB 4.13Å; E646-L703 HydrophobicContact CG-CD2 4.24Å; E646-V705 HydrophobicContact CB-CB 4.47Å; E646-V705 HydrophobicContact CB-CG1 3.73Å; E646-V705 HydrophobicContact CB-CG2 3.91Å; E646-V705 HydrophobicContact CG-CG1 4.45Å; E646-V705 HydrophobicContact CG-CG2 3.99Å; E646-N799 PolarHBondContact OE1-ND2 3.09Å
647	F	98.9	Very high	98.3	Very high	6 Å²	6	22.9 Å²	22.9	3%	0.026	12%	0.118	C	C	.	.	H	α-helix	trans	-57.1	-49.8	169.9	168.5	-100.8	0	0	0	112	W554 F557 R559 T643 Q644 T645 R649 R650 S651	W554-F647 HydrophobicContact CB-CD2 4.35Å; W554-F647 HydrophobicContact CE3-CD2 4.03Å; W554-F647 AromaticContact CE3-CE2 3.92Å; W554-F647 HydrophobicContact CE3-CE2 3.92Å; W554-F647 HydrophobicContact CZ3-CE2 4.45Å; F557-F647 HydrophobicContact CB-CD1 3.66Å; F557-F647 HydrophobicContact CB-CE1 3.62Å; F557-F647 HydrophobicContact CB-CG 4.38Å; F557-F647 HydrophobicContact CB-CZ 4.3Å; F557-F647 HydrophobicContact CD2-CB 4.12Å; F557-F647 HydrophobicContact CD2-CD1 4.11Å; F557-F647 HydrophobicContact CD2-CG 4.14Å; F557-F647 HydrophobicContact CG-CD1 4.35Å; R559-F647 HydrophobicContact CB-CE1 4.48Å; R559-F647 HydrophobicContact CB-CZ 3.89Å; R559-F647 HydrophobicContact CG-CZ 4.23Å; T643-F647 WeakPolarHBondContact O-CB 3.43Å; T643-F647 PolarHBondContact O-N 2.9Å; Q644-F647 WeakPolarHBondContact O-CB 3.48Å; Q644-F647 PolarHBondContact O-N 3.49Å; T645-F647 VanDerWaalsContact C-N 3.29Å; T645-F647 PolarHBondContact O-N 3.27Å; F647-R649 PolarHBondContact O-N 3.02Å; F647-R650 VanDerWaalsContact O-CG 3.24Å; F647-R650 WeakPolarHBondContact O-CG 3.4Å; F647-R650 PolarHBondContact O-N 3.36Å; F647-S651 VanDerWaalsContact O-CB 3.32Å; F647-S651 WeakPolarHBondContact O-CB 3.39Å; F647-S651 PolarHBondContact O-N 2.84Å; F647-S651 VanDerWaalsContact O-N 3.09Å; F647-S651 PolarHBondContact O-OG 3.24Å
648	Y	98.9	Very high	98.2	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63	-41.3	177.4	-63.5	-39.7	0	0	0	112.6	P558 T560 A563 Y566 Q644 T645 S651 T662 A665	P558-Y648 WeakPolarHBondContact O-CE1 3.45Å; T560-Y648 HydrophobicContact CG2-CE1 4.31Å; A563-Y648 HydrophobicContact CB-CD1 4.39Å; A563-Y648 HydrophobicContact CB-CD2 3.79Å; A563-Y648 HydrophobicContact CB-CE1 4.18Å; A563-Y648 HydrophobicContact CB-CE2 3.51Å; A563-Y648 HydrophobicContact CB-CG 4.23Å; Y566-Y648 HydrophobicContact CD1-CD2 4.29Å; Y566-Y648 AromaticContact CD1-CE2 3.66Å; Y566-Y648 HydrophobicContact CD1-CE2 3.66Å; Y566-Y648 HydrophobicContact CD2-CE2 4.05Å; Y566-Y648 AromaticContact CE1-CD2 3.93Å; Y566-Y648 HydrophobicContact CE1-CD2 3.93Å; Y566-Y648 AromaticContact CE1-CE2 3.77Å; Y566-Y648 HydrophobicContact CE1-CE2 3.77Å; Y566-Y648 HydrophobicContact CE2-CD2 4.34Å; Y566-Y648 HydrophobicContact CE2-CE2 4.13Å; Y566-Y648 AromaticContact CG-CE2 3.83Å; Y566-Y648 HydrophobicContact CG-CE2 3.83Å; Y566-Y648 AromaticContact CZ-CD2 3.97Å; Q644-Y648 HydrophobicContact CG-CD2 4.27Å; Q644-Y648 HydrophobicContact CG-CE2 3.52Å; Q644-Y648 PolarHBondContact NE2-OH 3.01Å; Q644-Y648 VanDerWaalsContact O-CD2 3.25Å; Q644-Y648 WeakPolarHBondContact O-CD2 3.36Å; Q644-Y648 PolarHBondContact O-N 2.89Å; Q644-Y648 VanDerWaalsContact O-N 3.12Å; T645-Y648 PolarHBondContact O-N 3.23Å; T645-Y648 VanDerWaalsContact O-N 3.14Å; Y648-S651 WeakPolarHBondContact O-CB 3.12Å; Y648-S651 PolarHBondContact O-N 3.03Å; Y648-T662 HydrophobicContact CD1-CG2 4.16Å; Y648-T662 HydrophobicContact CG-CG2 4.32Å; Y648-A665 HydrophobicContact CD2-CB 4.08Å; Y648-A665 HydrophobicContact CG-CB 4.46Å
649	R	98.8	Very high	98.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.8	-42.1	179.8	-71.6	-160.2	76.3	-156	-0.7	112.9	F362 T645 E646 F647 S651 R652 F698 A700 L703 V719 D721	F362-R649 HydrophobicContact CE1-CG 4.11Å; F362-R649 HydrophobicContact CZ-CG 3.98Å; T645-R649 HydrophobicContact CG2-CG 4.31Å; T645-R649 WeakPolarHBondContact O-CG 3.45Å; T645-R649 PolarHBondContact O-N 2.88Å; E646-R649 PolarHBondContact O-N 2.83Å; F647-R649 PolarHBondContact O-N 3.02Å; R649-S651 VanDerWaalsContact C-N 3.3Å; R649-R652 WeakPolarHBondContact O-CD 3.47Å; R649-R652 VanDerWaalsContact O-CG 3.26Å; R649-R652 WeakPolarHBondContact O-CG 3.47Å; R649-F698 WeakPolarHBondContact CD-O 3.4Å; R649-F698 PolarHBondContact NH1-O 2.87Å; R649-A700 PolarHBondContact NH1-O 3.36Å; R649-A700 PolarHBondContact NH2-O 3.21Å; R649-L703 VanDerWaalsContact NH1-CD2 3.26Å; R649-V719 HydrophobicContact CB-CG1 4.3Å; R649-V719 HydrophobicContact CB-CG2 4.43Å; R649-D721 IonicContact CZ-OD2 2.86Å; R649-D721 VanDerWaalsContact NH2-CG 3.34Å; R649-D721 IonicContact NH2-OD1 3.76Å; R649-D721 PolarHBondContact NH2-OD1 3.08Å; R649-D721 IonicContact NH2-OD2 2.9Å; R649-D721 PolarHBondContact NH2-OD2 3.04Å
650	R	98.4	Very high	98.1	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.015	14%	0.139	C	C	.	.	H	α-helix	trans	-71.8	-25.9	176.5	71.7	170.6	177.5	94.9	-16	113	E646 F647 R652 E654 F707 Y717 V719	E646-R650 WeakPolarHBondContact O-CG 3.42Å; E646-R650 PolarHBondContact O-N 3.24Å; F647-R650 VanDerWaalsContact O-CG 3.24Å; F647-R650 WeakPolarHBondContact O-CG 3.4Å; F647-R650 PolarHBondContact O-N 3.36Å; R650-R652 PolarHBondContact O-N 3.43Å; R650-E654 IonicContact NH1-OE1 2.68Å; R650-E654 PolarHBondContact NH1-OE1 3.26Å; R650-F707 VanDerWaalsContact NE-CE1 3.3Å; R650-Y717 HydrophobicContact CB-CD1 3.81Å; R650-Y717 HydrophobicContact CB-CE1 4.33Å; R650-Y717 HydrophobicContact CB-CG 4.1Å; R650-V719 HydrophobicContact CB-CG2 4.45Å
651	S	98.6	Very high	98.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-3.3	-179.2	-62.3	0	0	0	0	114.4	R559 F647 Y648 R649 S653 H661 T662	R559-S651 PolarHBondContact NH1-OG 2.97Å; F647-S651 VanDerWaalsContact O-CB 3.32Å; F647-S651 WeakPolarHBondContact O-CB 3.39Å; F647-S651 PolarHBondContact O-N 2.84Å; F647-S651 VanDerWaalsContact O-N 3.09Å; F647-S651 PolarHBondContact O-OG 3.24Å; Y648-S651 WeakPolarHBondContact O-CB 3.12Å; Y648-S651 PolarHBondContact O-N 3.03Å; R649-S651 VanDerWaalsContact C-N 3.3Å; S651-S653 VanDerWaalsContact C-N 3.32Å; S651-S653 PolarHBondContact O-N 2.82Å; S651-H661 PolarHBondContact O-N 2.89Å; S651-T662 VanDerWaalsContact CB-OG1 3.23Å; S651-T662 WeakPolarHBondContact CB-OG1 3.24Å; S651-T662 PolarHBondContact O-N 3.5Å
652	R	98.6	Very high	98.1	Very high	7 Å²	7	29 Å²	29	3%	0.026	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-22.5	-171.3	73.3	-175.8	-63	172.4	2.6	116	F362 R649 R650 H661 T662 M663 S720 D721 G756 A758	F362-R652 HydrophobicContact CD2-CB 4.01Å; F362-R652 HydrophobicContact CE2-CB 4.11Å; R649-R652 WeakPolarHBondContact O-CD 3.47Å; R649-R652 VanDerWaalsContact O-CG 3.26Å; R649-R652 WeakPolarHBondContact O-CG 3.47Å; R650-R652 PolarHBondContact O-N 3.43Å; R652-H661 PolarHBondContact O-CD2 3.19Å; R652-H661 VanDerWaalsContact O-CD2 3.27Å; R652-T662 WeakPolarHBondContact CA-O 3.17Å; R652-T662 WeakPolarHBondContact CB-O 3.38Å; R652-M663 HydrophobicContact CB-SD 4.4Å; R652-S720 PolarHBondContact NH1-O 3.11Å; R652-D721 IonicContact CZ-OD1 3.38Å; R652-D721 IonicContact NH1-OD1 3.2Å; R652-D721 PolarHBondContact NH1-OD1 3.45Å; R652-D721 IonicContact NH2-OD1 3.94Å; R652-G756 VanDerWaalsContact CZ-O 3.24Å; R652-G756 PolarHBondContact NE-O 3.19Å; R652-G756 VanDerWaalsContact NE-O 3.16Å; R652-G756 PolarHBondContact NH2-O 3.31Å; R652-G756 VanDerWaalsContact NH2-O 3.11Å; R652-A758 HydrophobicContact CG-CB 3.74Å
653	S	97.9	Very high	98.1	Very high	62 Å²	62	28.5 Å²	28.5	43%	0.434	15%	0.147	S	C	.	.	S	Bend	trans	-120.6	-10.5	-174.7	-62	0	0	0	0	113.7	S651 S757 A758	S651-S653 VanDerWaalsContact C-N 3.32Å; S651-S653 PolarHBondContact O-N 2.82Å; S653-S757 VanDerWaalsContact OG-CA 3.29Å; S653-S757 WeakPolarHBondContact OG-CA 3.33Å; S653-S757 WeakPolarHBondContact OG-CB 3.21Å; S653-A758 WeakPolarHBondContact CB-O 3.35Å; S653-A758 PolarHBondContact OG-N 3.05Å
654	E	96.3	Very high	98.1	Very high	29 Å²	29	27.2 Å²	27.2	14%	0.136	14%	0.139	C	C	.	.			trans	-101.1	152.2	-177.2	64.8	-172.5	-173	0	0	111.9	R559 R650 I656 G660 H661 Y717	R559-E654 IonicContact CZ-OE1 3.65Å; R559-E654 IonicContact NH1-OE1 3.47Å; R559-E654 PolarHBondContact NH1-OE1 2.78Å; R559-E654 IonicContact NH2-OE1 2.78Å; R650-E654 IonicContact NH1-OE1 2.68Å; R650-E654 PolarHBondContact NH1-OE1 3.26Å; E654-I656 HydrophobicContact CB-CG1 4.45Å; E654-I656 HydrophobicContact CG-CD1 4.19Å; E654-I656 HydrophobicContact CG-CG1 4.29Å; E654-G660 WeakPolarHBondContact O-CA 3.42Å; E654-H661 PolarHBondContact O-N 2.98Å; E654-H661 VanDerWaalsContact O-N 3.08Å; E654-Y717 WeakPolarHBondContact OE2-CE1 3.17Å; E654-Y717 PolarHBondContact OE2-OH 2.77Å
655	I	98	Very high	98.1	Very high	57 Å²	57	27.2 Å²	27.2	29%	0.292	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	116.1	164.9	-63	-59.5	0	0	0	107.4	I344 G346 K659 H661	I344-I655 HydrophobicContact CG2-CD1 3.9Å; I344-I655 HydrophobicContact CG2-CG1 4.03Å; G346-I655 WeakPolarHBondContact O-CG2 3.28Å; I655-K659 CarbonylContact C-O 3.57Å; I655-K659 WeakPolarHBondContact CA-O 3.44Å; I655-H661 HydrophobicContact CD1-CB 4.01Å
656	I	95.8	Very high	98.1	Very high	70 Å²	70	27.2 Å²	27.2	36%	0.359	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	125.4	179.6	-60.2	180	0	0	0	107.3	E654 G658 K659	E654-I656 HydrophobicContact CB-CG1 4.45Å; E654-I656 HydrophobicContact CG-CD1 4.19Å; E654-I656 HydrophobicContact CG-CG1 4.29Å; I656-G658 PolarHBondContact O-N 3.08Å; I656-G658 VanDerWaalsContact O-N 3.15Å; I656-K659 PolarHBondContact N-O 3.19Å; I656-K659 PolarHBondContact O-N 3.29Å; I656-K659 VanDerWaalsContact O-O 3.13Å
657	E	95.3	Very high	98.1	Very high	180 Å²	180	26.8 Å²	26.8	84%	0.841	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.5	37.5	-177.4	-60.9	-178.7	173	0	0	113.4	K659	E657-K659 VanDerWaalsContact C-N 3.29Å; E657-K659 PolarHBondContact O-N 3.46Å
658	G	97.4	Very high	98.1	Very high	15 Å²	15	26.9 Å²	26.9	16%	0.155	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	9.1	-179.3	0	0	0	0	0	115	G346 S347 P348 H538 I656	G346-G658 WeakPolarHBondContact O-CA 3.13Å; S347-G658 WeakPolarHBondContact CA-O 3.17Å; S347-G658 WeakPolarHBondContact CB-O 3.27Å; S347-G658 PolarHBondContact OG-O 2.86Å; P348-G658 WeakPolarHBondContact CD-O 3.29Å; H538-G658 PolarHBondContact CD2-O 3.27Å; I656-G658 PolarHBondContact O-N 3.08Å; I656-G658 VanDerWaalsContact O-N 3.15Å
659	K	98.2	Very high	98.1	Very high	75 Å²	75	26.9 Å²	26.9	33%	0.326	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	152.4	-179.7	-62.6	175.6	-171.8	171.1	0	111.5	P537 R559 I655 I656 E657	P537-K659 HydrophobicContact CG-CD 4.11Å; R559-K659 HydrophobicContact CB-CB 3.9Å; R559-K659 VanDerWaalsContact CD-C 3.49Å; R559-K659 WeakPolarHBondContact CD-O 3.48Å; R559-K659 HydrophobicContact CG-CB 4.07Å; I655-K659 CarbonylContact C-O 3.57Å; I655-K659 WeakPolarHBondContact CA-O 3.44Å; I656-K659 PolarHBondContact N-O 3.19Å; I656-K659 PolarHBondContact O-N 3.29Å; I656-K659 VanDerWaalsContact O-O 3.13Å; E657-K659 VanDerWaalsContact C-N 3.29Å; E657-K659 PolarHBondContact O-N 3.46Å
660	G	97.6	Very high	98.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	138.1	-155.6	-178.9	0	0	0	0	0	112.8	R561 E654 T662	R561-G660 WeakPolarHBondContact CD-O 3.27Å; R561-G660 PolarHBondContact NH1-O 2.86Å; E654-G660 WeakPolarHBondContact O-CA 3.42Å; G660-T662 VanDerWaalsContact C-N 3.26Å; G660-T662 PolarHBondContact O-N 2.86Å
661	H	98.6	Very high	98.2	Very high	49 Å²	49	26.8 Å²	26.8	23%	0.227	14%	0.137	C	C	.	.			trans	56.7	42.3	-170.8	-159.3	-177.8	0	0	0	111.9	I344 S651 R652 E654 I655 M663	I344-H661 HydrophobicContact CD1-CB 3.81Å; I344-H661 VanDerWaalsContact CD1-ND1 3.33Å; I344-H661 WeakPolarHBondContact CD1-ND1 3.43Å; S651-H661 PolarHBondContact O-N 2.89Å; R652-H661 PolarHBondContact O-CD2 3.19Å; R652-H661 VanDerWaalsContact O-CD2 3.27Å; E654-H661 PolarHBondContact O-N 2.98Å; E654-H661 VanDerWaalsContact O-N 3.08Å; I655-H661 HydrophobicContact CD1-CB 4.01Å; H661-M663 PolarHBondContact O-N 3Å
662	T	98.9	Very high	98.2	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.			trans	-67.2	123.1	178.4	-49.7	0	0	0	0	110.3	F362 T560 R561 Y648 S651 R652 G660	F362-T662 WeakPolarHBondContact CD2-O 3.38Å; F362-T662 WeakPolarHBondContact CE2-O 3.37Å; T560-T662 WeakPolarHBondContact O-CA 3.34Å; T560-T662 WeakPolarHBondContact O-CB 3.35Å; T560-T662 PolarHBondContact O-OG1 3.27Å; R561-T662 CarbonylContact O-C 3.44Å; R561-T662 VanDerWaalsContact O-CA 3.27Å; R561-T662 WeakPolarHBondContact O-CA 3.44Å; Y648-T662 HydrophobicContact CD1-CG2 4.16Å; Y648-T662 HydrophobicContact CG-CG2 4.32Å; S651-T662 VanDerWaalsContact CB-OG1 3.23Å; S651-T662 WeakPolarHBondContact CB-OG1 3.24Å; S651-T662 PolarHBondContact O-N 3.5Å; R652-T662 WeakPolarHBondContact CA-O 3.17Å; R652-T662 WeakPolarHBondContact CB-O 3.38Å; G660-T662 VanDerWaalsContact C-N 3.26Å; G660-T662 PolarHBondContact O-N 2.86Å
663	M	98.9	Very high	98.2	Very high	8 Å²	8	26.7 Å²	26.7	4%	0.039	14%	0.137	C	C	.	.			trans	-123.8	16	-172.2	-76.5	-64.1	-65.7	0	0	114.3	Y353 P360 F362 L363 R561 R652 H661	Y353-M663 HydrophobicContact CD2-CE 4.34Å; Y353-M663 HydrophobicContact CG-CB 4.44Å; Y353-M663 HydrophobicContact CG-CE 4.47Å; Y353-M663 HydrophobicContact CG-CG 4.27Å; P360-M663 HydrophobicContact CB-CE 4.03Å; F362-M663 WeakPolarHBondContact CA-O 3.12Å; F362-M663 HydrophobicContact CD2-SD 4.36Å; L363-M663 PolarHBondContact N-O 3.05Å; L363-M663 VanDerWaalsContact N-O 3.12Å; R561-M663 PolarHBondContact O-N 2.8Å; R652-M663 HydrophobicContact CB-SD 4.4Å; H661-M663 PolarHBondContact O-N 3Å
664	G	98.8	Very high	98.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.1	153.9	165.6	0	0	0	0	0	113.3	L363 F562 A563	L363-G664 CarbonylContact O-C 3.49Å; L363-G664 VanDerWaalsContact O-CA 3.26Å; L363-G664 WeakPolarHBondContact O-CA 3.34Å; F562-G664 VanDerWaalsContact CE2-CA 3.48Å; A563-G664 PolarHBondContact N-O 3Å
665	A	98.9	Very high	98.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	98.8	-179.9	0	0	0	0	0	109	F362 L363 G365 A563 Y566 T645 Y648	F362-A665 HydrophobicContact CE1-CB 3.93Å; F362-A665 HydrophobicContact CZ-CB 3.97Å; L363-A665 PolarHBondContact O-N 3.41Å; G365-A665 PolarHBondContact N-O 3.14Å; A563-A665 CarbonylContact O-C 3.56Å; A563-A665 WeakPolarHBondContact O-CA 3.27Å; Y566-A665 HydrophobicContact CE1-CB 4.05Å; Y566-A665 WeakPolarHBondContact OH-CB 3.44Å; T645-A665 HydrophobicContact CG2-CB 4.45Å; Y648-A665 HydrophobicContact CD2-CB 4.08Å; Y648-A665 HydrophobicContact CG-CB 4.46Å
666	L	98.9	Very high	98.4	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	101.7	176	-52.7	-177.5	0	0	0	109	L363 G365 N367 A397 R399 W423 F562 A563 S564 E565	L363-L666 HydrophobicContact CB-CD2 4.33Å; G365-L666 WeakPolarHBondContact O-CA 3.4Å; N367-L666 PolarHBondContact ND2-O 3.14Å; A397-L666 HydrophobicContact CB-CD2 4.04Å; R399-L666 HydrophobicContact CB-CD1 4.2Å; W423-L666 HydrophobicContact CE3-CD1 4.49Å; F562-L666 HydrophobicContact CE1-CD1 4Å; F562-L666 HydrophobicContact CE1-CG 4.03Å; F562-L666 HydrophobicContact CZ-CD1 4.08Å; F562-L666 HydrophobicContact CZ-CG 4.13Å; A563-L666 PolarHBondContact O-N 3.41Å; S564-L666 CarbonylContact C-O 3.5Å; S564-L666 VanDerWaalsContact C-O 3.31Å; S564-L666 WeakPolarHBondContact O-CB 3.4Å; E565-L666 WeakPolarHBondContact CA-O 3.38Å
667	Y	98.9	Very high	98.5	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	150.2	-179.1	66.6	-100.4	0	0	0	111.7	G365 S366 N367 M395 Y566 V641 Q669 S681 L691 A695 F698 F699	G365-Y667 WeakPolarHBondContact O-CD1 3.49Å; G365-Y667 PolarHBondContact O-N 2.98Å; S366-Y667 CarbonylContact C-O 3.45Å; S366-Y667 WeakPolarHBondContact CA-O 3.44Å; S366-Y667 VanDerWaalsContact CB-O 3.22Å; S366-Y667 WeakPolarHBondContact CB-O 3.44Å; N367-Y667 PolarHBondContact N-O 3.36Å; N367-Y667 PolarHBondContact ND2-O 2.88Å; N367-Y667 VanDerWaalsContact ND2-O 3.09Å; M395-Y667 HydrophobicContact CE-CE1 3.65Å; M395-Y667 WeakPolarHBondContact CE-OH 3.27Å; Y566-Y667 CarbonylContact O-C 3.59Å; Y566-Y667 VanDerWaalsContact O-CA 3.28Å; Y566-Y667 WeakPolarHBondContact O-CA 3.45Å; Y566-Y667 WeakPolarHBondContact O-CB 3.41Å; V641-Y667 HydrophobicContact CG1-CG 4.32Å; Y667-Q669 VanDerWaalsContact CE2-O 3.26Å; Y667-Q669 WeakPolarHBondContact CE2-O 3.2Å; Y667-S681 VanDerWaalsContact OH-CB 3.26Å; Y667-S681 WeakPolarHBondContact OH-CB 3.49Å; Y667-S681 PolarHBondContact OH-OG 2.88Å; Y667-L691 HydrophobicContact CD2-CD2 4.42Å; Y667-L691 HydrophobicContact CE2-CD2 4.14Å; Y667-A695 HydrophobicContact CE1-CB 4.27Å; Y667-F698 HydrophobicContact CE1-CZ 4.4Å; Y667-F699 HydrophobicContact CD1-CE2 4.24Å; Y667-F699 HydrophobicContact CD1-CZ 4.3Å; Y667-F699 AromaticContact CE1-CE2 3.98Å; Y667-F699 HydrophobicContact CE1-CE2 3.98Å; Y667-F699 HydrophobicContact CE1-CZ 4.49Å
668	W	98.9	Very high	98.7	Very high	9 Å²	9	8.5 Å²	8.5	3%	0.034	4%	0.042	C	C	.	.	S	Bend	trans	-89.6	120	166.4	-171.3	-105.8	0	0	0	107.5	W203 N367 I369 W401 Y545 E565 Y566 W679	W203-W668 AromaticContact NE1-CZ2 3.37Å; N367-W668 HydrophobicContact CB-CD2 4.38Å; N367-W668 HydrophobicContact CB-CE3 3.3Å; N367-W668 HydrophobicContact CB-CZ3 3.5Å; N367-W668 VanDerWaalsContact CB-CZ3 3.5Å; I369-W668 HydrophobicContact CG2-CH2 3.94Å; I369-W668 HydrophobicContact CG2-CZ2 4.36Å; W401-W668 HydrophobicContact CB-CH2 4.22Å; W401-W668 HydrophobicContact CB-CZ3 4.02Å; W401-W668 AromaticContact CD1-CH2 3.55Å; W401-W668 AromaticContact CD1-CZ3 3.44Å; W401-W668 VanDerWaalsContact CD1-CZ3 3.44Å; W401-W668 AromaticContact CD2-CH2 3.68Å; W401-W668 HydrophobicContact CD2-CH2 3.68Å; W401-W668 HydrophobicContact CD2-CZ3 4.27Å; W401-W668 AromaticContact CE2-CH2 3.77Å; W401-W668 HydrophobicContact CE3-CH2 4.34Å; W401-W668 AromaticContact CG-CH2 3.58Å; W401-W668 HydrophobicContact CG-CH2 3.58Å; W401-W668 AromaticContact CG-CZ3 3.66Å; W401-W668 HydrophobicContact CG-CZ3 3.66Å; W401-W668 AromaticContact NE1-CH2 3.64Å; W401-W668 AromaticContact NE1-CZ3 3.93Å; Y545-W668 HydrophobicContact CE1-CB 4.03Å; Y545-W668 HydrophobicContact CE1-CG 4.28Å; Y545-W668 WeakPolarHBondContact OH-CB 3.49Å; E565-W668 HydrophobicContact CB-CB 4.4Å; E565-W668 HydrophobicContact CG-CE3 4Å; Y566-W668 PolarHBondContact O-N 3.35Å; W668-W679 AromaticContact CD1-CD2 3.74Å; W668-W679 AromaticContact CD1-CE3 3.95Å; W668-W679 AromaticContact CD1-CG 3.61Å; W668-W679 HydrophobicContact CG-CB 4.44Å; W668-W679 AromaticContact NE1-CE3 3.74Å; W668-W679 WeakPolarHBondContact O-CB 3.39Å
669	Q	98.8	Very high	98.8	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.035	C	C	.	.			cis	-136.8	169.3	-5.6	67.6	-167.8	56.4	0	0	111.1	Y667 N671 W679 S680 S681	Y667-Q669 VanDerWaalsContact CE2-O 3.26Å; Y667-Q669 WeakPolarHBondContact CE2-O 3.2Å; Q669-N671 PolarHBondContact NE2-O 2.84Å; Q669-W679 HydrophobicContact CG-CB 4.36Å; Q669-W679 PolarHBondContact N-O 3.26Å; Q669-S680 CarbonylContact O-C 3.53Å; Q669-S680 VanDerWaalsContact O-CA 3.24Å; Q669-S680 WeakPolarHBondContact O-CA 3.37Å; Q669-S681 PolarHBondContact O-N 3.32Å; Q669-S681 VanDerWaalsContact O-N 3.15Å
670	L	98.9	Very high	98.8	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.02	C	C	.	.	S	Bend	trans	-69.7	-64.7	-178.4	-177.8	68	0	0	0	111.6	S366 N367 W368 A390 M395 L398 S681 I682	S366-L670 VanDerWaalsContact OG-CB 3.31Å; S366-L670 WeakPolarHBondContact OG-CB 3.49Å; S366-L670 VanDerWaalsContact OG-CD1 3.31Å; S366-L670 WeakPolarHBondContact OG-CD1 3.42Å; N367-L670 WeakPolarHBondContact O-CB 3.27Å; N367-L670 PolarHBondContact O-N 3.05Å; W368-L670 HydrophobicContact CE3-CD2 3.67Å; W368-L670 HydrophobicContact CZ3-CD2 4.08Å; A390-L670 HydrophobicContact CB-CD1 4.37Å; M395-L670 HydrophobicContact CE-CD1 4Å; M395-L670 HydrophobicContact SD-CD1 4.11Å; L398-L670 HydrophobicContact CD1-CD2 4.12Å; L398-L670 HydrophobicContact CD2-CD1 4.49Å; L398-L670 HydrophobicContact CD2-CD2 3.92Å; L670-S681 PolarHBondContact O-N 3.19Å; L670-S681 VanDerWaalsContact O-N 3.09Å; L670-S681 PolarHBondContact O-OG 3.49Å; L670-S681 VanDerWaalsContact O-OG 3.06Å; L670-I682 HydrophobicContact CD1-CD1 3.88Å; L670-I682 HydrophobicContact CG-CD1 4.16Å; L670-I682 WeakPolarHBondContact O-CB 3.33Å; L670-I682 PolarHBondContact O-N 2.64Å
671	N	98.9	Very high	98.9	Very high	1 Å²	1	4.3 Å²	4.3	1%	0.005	2%	0.02	C	C	.	.	B	Isolated β-bridge	trans	-123.7	167.5	-164.2	63.1	-68.6	0	0	0	112.7	I369 L386 Q669 I682	I369-N671 WeakPolarHBondContact CD1-O 3.31Å; I369-N671 VanDerWaalsContact CG1-O 3.3Å; I369-N671 WeakPolarHBondContact CG1-O 3.32Å; I369-N671 PolarHBondContact N-OD1 2.89Å; I369-N671 PolarHBondContact O-ND2 2.76Å; I369-N671 PolarHBondContact O-OD1 2.87Å; L386-N671 HydrophobicContact CD2-CB 4.28Å; Q669-N671 PolarHBondContact NE2-O 2.84Å; N671-I682 CarbonylContact C-O 3.6Å; N671-I682 WeakPolarHBondContact CA-O 3.34Å
672	D	98.9	Very high	98.9	Very high	4 Å²	4	2 Å²	2	2%	0.021	1%	0.009	C	C	.	.			trans	-107.1	149.1	173.7	-77.7	-40.3	0	0	0	113	S678 S680 I682 E683 F684	D672-S678 WeakPolarHBondContact OD1-CB 3.37Å; D672-S678 PolarHBondContact OD1-OG 3.46Å; D672-S678 PolarHBondContact OD2-OG 3.44Å; D672-S680 VanDerWaalsContact CG-CB 3.47Å; D672-S680 VanDerWaalsContact OD1-CB 3.24Å; D672-S680 WeakPolarHBondContact OD1-CB 3.39Å; D672-S680 PolarHBondContact OD1-OG 2.98Å; D672-S680 WeakPolarHBondContact OD2-CB 3.29Å; D672-S680 PolarHBondContact OD2-OG 3.09Å; D672-I682 PolarHBondContact N-O 2.87Å; D672-E683 WeakPolarHBondContact OD2-CA 3.26Å; D672-F684 HydrophobicContact CB-CB 4.02Å
673	I	98.9	Very high	98.9	Very high	2 Å²	2	2.1 Å²	2.1	1%	0.01	1%	0.01	C	C	.	.	S	Bend	trans	-84.8	-26	172.1	-162.7	169.9	0	0	0	112.9	Y72 W203 I369 P370 H372 F684	Y72-I673 WeakPolarHBondContact CE2-O 3.48Å; Y72-I673 PolarHBondContact OH-O 3.23Å; W203-I673 HydrophobicContact CE3-CB 4.26Å; W203-I673 HydrophobicContact CE3-CG2 3.62Å; W203-I673 HydrophobicContact CZ3-CB 3.87Å; W203-I673 HydrophobicContact CZ3-CD1 4.04Å; W203-I673 HydrophobicContact CZ3-CG2 3.59Å; I369-I673 HydrophobicContact CD1-CB 4.17Å; P370-I673 HydrophobicContact CB-CD1 4.1Å; P370-I673 WeakPolarHBondContact O-CB 3.43Å; P370-I673 WeakPolarHBondContact O-CG1 3.3Å; H372-I673 VanDerWaalsContact C-CG1 3.4Å; I673-F684 VanDerWaalsContact C-CD2 3.45Å; I673-F684 VanDerWaalsContact O-CD2 3.24Å; I673-F684 WeakPolarHBondContact O-CD2 3.29Å; I673-F684 VanDerWaalsContact O-CE2 3.29Å; I673-F684 WeakPolarHBondContact O-CE2 3.42Å
674	W	98.9	Very high	98.9	Very high	1 Å²	1	3.7 Å²	3.7	0%	0.004	2%	0.016	C	C	.	.	S	Bend	trans	-161.9	175.6	-176.7	76.5	-35.8	0	0	0	110.9	Y72 W203 P205 R596 H598 A676	Y72-W674 HydrophobicContact CD1-CB 4.37Å; Y72-W674 HydrophobicContact CD2-CB 3.83Å; Y72-W674 HydrophobicContact CE1-CB 4.07Å; Y72-W674 HydrophobicContact CE2-CB 3.46Å; Y72-W674 VanDerWaalsContact CE2-CB 3.46Å; Y72-W674 HydrophobicContact CG-CB 4.26Å; W203-W674 VanDerWaalsContact O-CD1 3.24Å; W203-W674 PolarHBondContact O-NE1 2.62Å; P205-W674 HydrophobicContact CB-CD2 3.85Å; P205-W674 HydrophobicContact CB-CE3 3.69Å; P205-W674 HydrophobicContact CB-CH2 3.85Å; P205-W674 HydrophobicContact CB-CZ2 4.01Å; P205-W674 HydrophobicContact CB-CZ3 3.7Å; P205-W674 HydrophobicContact CG-CB 4.38Å; P205-W674 HydrophobicContact CG-CD2 3.69Å; P205-W674 HydrophobicContact CG-CE3 3.84Å; P205-W674 HydrophobicContact CG-CG 3.95Å; P205-W674 HydrophobicContact CG-CZ3 4.37Å; R596-W674 VanDerWaalsContact CD-CH2 3.46Å; H598-W674 AromaticContact CE1-CH2 3.98Å; H598-W674 AromaticContact CE1-CZ2 3.61Å; H598-W674 AromaticContact NE2-CH2 3.72Å; H598-W674 AromaticContact NE2-CZ2 3.56Å; W674-A676 HydrophobicContact CD2-CB 4.35Å; W674-A676 HydrophobicContact CZ2-CB 3.99Å; W674-A676 VanDerWaalsContact NE1-CB 3.29Å; W674-A676 PolarHBondContact O-N 2.98Å
675	Q	98.8	Very high	98.8	Very high	15 Å²	15	7 Å²	7	7%	0.07	5%	0.051	C	C	.	.	S	Bend	trans	-82.9	95.1	-176.8	-49.5	85.6	-10.6	0	0	111.7	T576 L577 V580 R596 F684	T576-Q675 HydrophobicContact CG2-CB 4.03Å; T576-Q675 HydrophobicContact CG2-CG 3.52Å; T576-Q675 WeakPolarHBondContact O-CG 3.45Å; L577-Q675 HydrophobicContact CD2-CB 4.39Å; V580-Q675 HydrophobicContact CG2-CB 3.88Å; V580-Q675 HydrophobicContact CG2-CG 4.06Å; R596-Q675 WeakPolarHBondContact CD-O 3.44Å; R596-Q675 PolarHBondContact NH1-O 2.72Å; Q675-F684 HydrophobicContact CG-CB 4.31Å; Q675-F684 HydrophobicContact CG-CD1 4.04Å
676	A	98.9	Very high	98.7	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	5%	0.053	C	C	.	.	S	Bend	trans	-152.2	162.7	180	0	0	0	0	0	110.9	P572 R596 W674	P572-A676 VanDerWaalsContact CD-O 3.31Å; P572-A676 WeakPolarHBondContact CD-O 3.19Å; R596-A676 HydrophobicContact CB-CB 4.33Å; W674-A676 HydrophobicContact CD2-CB 4.35Å; W674-A676 HydrophobicContact CZ2-CB 3.99Å; W674-A676 VanDerWaalsContact NE1-CB 3.29Å; W674-A676 PolarHBondContact O-N 2.98Å
677	P	98.9	Very high	98.7	Very high	0 Å²	0	9 Å²	9	0%	0	6%	0.061	C	C	.	.			trans	-63.2	136.3	165.9	28.8	-34.7	0	0	0	110.2	S570 W571 Q597 M606	S570-P677 WeakPolarHBondContact O-CA 3.4Å; W571-P677 HydrophobicContact CD2-CB 3.99Å; W571-P677 HydrophobicContact CD2-CG 4.3Å; W571-P677 HydrophobicContact CG-CB 4.07Å; W571-P677 HydrophobicContact CH2-CG 4.07Å; W571-P677 HydrophobicContact CZ2-CB 4.2Å; W571-P677 HydrophobicContact CZ2-CG 3.66Å; Q597-P677 HydrophobicContact CB-CG 4.09Å; M606-P677 HydrophobicContact CE-CB 3.91Å
678	S	98.9	Very high	98.7	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.062	C	C	.	.	B	Isolated β-bridge	trans	-159.9	176.4	-176.9	73.6	0	0	0	0	110.3	Q569 S570 D672 S680	Q569-S678 CarbonylContact C-O 2.97Å; Q569-S678 WeakPolarHBondContact CA-O 3.36Å; S570-S678 PolarHBondContact N-O 3.09Å; S570-S678 PolarHBondContact O-N 2.99Å; S570-S678 VanDerWaalsContact O-N 3.14Å; D672-S678 WeakPolarHBondContact OD1-CB 3.37Å; D672-S678 PolarHBondContact OD1-OG 3.46Å; D672-S678 PolarHBondContact OD2-OG 3.44Å; S678-S680 PolarHBondContact O-N 3.48Å; S678-S680 VanDerWaalsContact OG-CB 3.27Å; S678-S680 WeakPolarHBondContact OG-CB 3.24Å; S678-S680 PolarHBondContact OG-N 2.87Å; S678-S680 PolarHBondContact OG-OG 3.28Å
679	W	98.9	Very high	98.7	Very high	2 Å²	2	8.9 Å²	8.9	1%	0.008	6%	0.06	C	C	.	.	S	Bend	trans	-81.4	4.5	171.9	-57.9	-100.5	0	0	0	113.6	D202 W203 Y547 G567 Q569 H599 Q637 W668 Q669	D202-W679 HydrophobicContact CB-CH2 4.33Å; D202-W679 HydrophobicContact CB-CZ3 4.46Å; D202-W679 WeakPolarHBondContact OD1-CZ3 3.21Å; D202-W679 VanDerWaalsContact OD2-CH2 3.27Å; D202-W679 WeakPolarHBondContact OD2-CH2 3.48Å; W203-W679 HydrophobicContact CB-CE3 4.49Å; W203-W679 HydrophobicContact CB-CZ3 4.3Å; Y547-W679 AromaticContact CE1-NE1 3.9Å; G567-W679 VanDerWaalsContact C-CD1 3.41Å; Q569-W679 HydrophobicContact CG-CD2 3.6Å; Q569-W679 HydrophobicContact CG-CE3 4.09Å; Q569-W679 HydrophobicContact CG-CG 4.04Å; Q569-W679 HydrophobicContact CG-CH2 4.14Å; Q569-W679 HydrophobicContact CG-CZ2 3.64Å; Q569-W679 HydrophobicContact CG-CZ3 4.33Å; H599-W679 HydrophobicContact CB-CH2 3.8Å; H599-W679 HydrophobicContact CB-CZ2 4.37Å; H599-W679 AromaticContact CE1-CZ2 3.91Å; H599-W679 AromaticContact CG-CH2 3.67Å; H599-W679 AromaticContact CG-CZ2 3.86Å; H599-W679 AromaticContact ND1-CH2 3.48Å; H599-W679 WeakPolarHBondContact ND1-CH2 3.17Å; H599-W679 AromaticContact ND1-CZ2 3.67Å; Q637-W679 PolarHBondContact NE2-O 3.45Å; W668-W679 AromaticContact CD1-CD2 3.74Å; W668-W679 AromaticContact CD1-CE3 3.95Å; W668-W679 AromaticContact CD1-CG 3.61Å; W668-W679 HydrophobicContact CG-CB 4.44Å; W668-W679 AromaticContact NE1-CE3 3.74Å; W668-W679 WeakPolarHBondContact O-CB 3.39Å; Q669-W679 HydrophobicContact CG-CB 4.36Å; Q669-W679 PolarHBondContact N-O 3.26Å
680	S	98.9	Very high	98.7	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	6%	0.06	C	C	.	.			trans	-63.2	149.1	-175.6	78	0	0	0	0	111.6	Q637 Q669 D672 S678 I682 K689	Q637-S680 PolarHBondContact NE2-O 2.91Å; Q637-S680 VanDerWaalsContact NE2-O 3.12Å; Q669-S680 CarbonylContact O-C 3.53Å; Q669-S680 VanDerWaalsContact O-CA 3.24Å; Q669-S680 WeakPolarHBondContact O-CA 3.37Å; D672-S680 VanDerWaalsContact CG-CB 3.47Å; D672-S680 VanDerWaalsContact OD1-CB 3.24Å; D672-S680 WeakPolarHBondContact OD1-CB 3.39Å; D672-S680 PolarHBondContact OD1-OG 2.98Å; D672-S680 WeakPolarHBondContact OD2-CB 3.29Å; D672-S680 PolarHBondContact OD2-OG 3.09Å; S678-S680 PolarHBondContact O-N 3.48Å; S678-S680 VanDerWaalsContact OG-CB 3.27Å; S678-S680 WeakPolarHBondContact OG-CB 3.24Å; S678-S680 PolarHBondContact OG-N 2.87Å; S678-S680 PolarHBondContact OG-OG 3.28Å; S680-I682 WeakPolarHBondContact CB-O 3.32Å; S680-I682 PolarHBondContact OG-O 3.42Å; S680-K689 VanDerWaalsContact O-CD 3.32Å; S680-K689 WeakPolarHBondContact O-CD 3.29Å; S680-K689 WeakPolarHBondContact O-CE 3.37Å; S680-K689 PolarHBondContact O-NZ 2.95Å; S680-K689 WeakPolarHBondContact OG-CE 3.23Å; S680-K689 PolarHBondContact OG-NZ 2.92Å
681	S	98.9	Very high	98.7	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	6%	0.06	C	C	.	.	S	Bend	trans	-94.6	-21	164.2	66.2	0	0	0	0	112.6	Y667 Q669 L670 K689 H692	Y667-S681 VanDerWaalsContact OH-CB 3.26Å; Y667-S681 WeakPolarHBondContact OH-CB 3.49Å; Y667-S681 PolarHBondContact OH-OG 2.88Å; Q669-S681 PolarHBondContact O-N 3.32Å; Q669-S681 VanDerWaalsContact O-N 3.15Å; L670-S681 PolarHBondContact O-N 3.19Å; L670-S681 VanDerWaalsContact O-N 3.09Å; L670-S681 PolarHBondContact O-OG 3.49Å; L670-S681 VanDerWaalsContact O-OG 3.06Å; S681-K689 VanDerWaalsContact O-CB 3.27Å; S681-K689 WeakPolarHBondContact O-CB 3.29Å; S681-K689 PolarHBondContact O-N 3Å; S681-H692 PolarHBondContact OG-ND1 3.48Å
682	I	98.9	Very high	98.7	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	6%	0.06	C	C	.	.	B	Isolated β-bridge	trans	-117.5	119.8	177.7	-57.8	177.7	0	0	0	108.4	L386 L670 N671 D672 S680 G686 H692	L386-I682 HydrophobicContact CD2-CB 4.49Å; L386-I682 HydrophobicContact CD2-CD1 4.18Å; L386-I682 HydrophobicContact CD2-CG2 3.69Å; L670-I682 HydrophobicContact CD1-CD1 3.88Å; L670-I682 HydrophobicContact CG-CD1 4.16Å; L670-I682 WeakPolarHBondContact O-CB 3.33Å; L670-I682 PolarHBondContact O-N 2.64Å; N671-I682 CarbonylContact C-O 3.6Å; N671-I682 WeakPolarHBondContact CA-O 3.34Å; D672-I682 PolarHBondContact N-O 2.87Å; S680-I682 WeakPolarHBondContact CB-O 3.32Å; S680-I682 PolarHBondContact OG-O 3.42Å; I682-G686 VanDerWaalsContact CG2-C 3.41Å; I682-G686 VanDerWaalsContact CG2-CA 3.5Å; I682-G686 VanDerWaalsContact CG2-O 3.28Å; I682-G686 WeakPolarHBondContact CG2-O 3.08Å; I682-H692 WeakPolarHBondContact CG1-ND1 3.26Å
683	E	98.9	Very high	98.7	Very high	2 Å²	2	8.9 Å²	8.9	1%	0.009	6%	0.06	C	C	.	.			trans	-67.6	160.9	178.1	-53.1	-179	-176.7	0	0	111.4	P572 S573 T576 Q634 D672 G685 G686 K687 K689	P572-E683 HydrophobicContact CB-CB 4.28Å; P572-E683 HydrophobicContact CB-CG 3.85Å; S573-E683 VanDerWaalsContact CB-OE1 3.3Å; S573-E683 WeakPolarHBondContact CB-OE1 3.32Å; S573-E683 WeakPolarHBondContact CB-OE2 3.17Å; S573-E683 PolarHBondContact N-OE1 3.38Å; S573-E683 PolarHBondContact N-OE2 3.09Å; S573-E683 PolarHBondContact OG-OE1 3.14Å; S573-E683 PolarHBondContact OG-OE2 2.68Å; T576-E683 VanDerWaalsContact CB-OE2 3.26Å; T576-E683 WeakPolarHBondContact CB-OE2 3.43Å; T576-E683 HydrophobicContact CG2-CB 4.33Å; T576-E683 PolarHBondContact OG1-OE2 3.33Å; Q634-E683 PolarHBondContact NE2-OE1 3.02Å; D672-E683 WeakPolarHBondContact OD2-CA 3.26Å; E683-G685 PolarHBondContact O-N 3.17Å; E683-G686 PolarHBondContact O-N 3.27Å; E683-K687 HydrophobicContact CB-CB 4.36Å; E683-K687 PolarHBondContact N-O 3.44Å; E683-K689 HydrophobicContact CG-CD 4.2Å; E683-K689 HydrophobicContact CG-CG 3.46Å; E683-K689 VanDerWaalsContact CG-CG 3.46Å
684	F	98.7	Very high	98.7	Very high	41 Å²	41	9.3 Å²	9.3	18%	0.18	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	131.8	172.3	178.1	-96	0	0	0	110.2	Y72 H372 D672 I673 Q675	Y72-F684 HydrophobicContact CD2-CE1 4.21Å; Y72-F684 HydrophobicContact CD2-CZ 4.09Å; Y72-F684 HydrophobicContact CE2-CD2 4.34Å; Y72-F684 HydrophobicContact CE2-CE1 4.19Å; Y72-F684 AromaticContact CE2-CE2 3.75Å; Y72-F684 HydrophobicContact CE2-CE2 3.75Å; Y72-F684 AromaticContact CE2-CZ 3.66Å; Y72-F684 HydrophobicContact CE2-CZ 3.66Å; H372-F684 AromaticContact CD2-CE2 3.68Å; H372-F684 AromaticContact CD2-CZ 3.63Å; H372-F684 AromaticContact NE2-CZ 3.73Å; D672-F684 HydrophobicContact CB-CB 4.02Å; I673-F684 VanDerWaalsContact C-CD2 3.45Å; I673-F684 VanDerWaalsContact O-CD2 3.24Å; I673-F684 WeakPolarHBondContact O-CD2 3.29Å; I673-F684 VanDerWaalsContact O-CE2 3.29Å; I673-F684 WeakPolarHBondContact O-CE2 3.42Å; Q675-F684 HydrophobicContact CG-CB 4.31Å; Q675-F684 HydrophobicContact CG-CD1 4.04Å
685	G	95.8	Very high	98.7	Very high	71 Å²	71	9.3 Å²	9.3	73%	0.732	6%	0.062	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.6	-4.6	-171.1	0	0	0	0	0	114.6	E683	E683-G685 PolarHBondContact O-N 3.17Å
686	G	97.8	Very high	98.7	Very high	4 Å²	4	10.5 Å²	10.5	4%	0.041	7%	0.068	C	C	.	.	S	Bend	trans	100.1	-5.1	168.7	0	0	0	0	0	115.4	I682 E683 W688 W871	I682-G686 VanDerWaalsContact CG2-C 3.41Å; I682-G686 VanDerWaalsContact CG2-CA 3.5Å; I682-G686 VanDerWaalsContact CG2-O 3.28Å; I682-G686 WeakPolarHBondContact CG2-O 3.08Å; E683-G686 PolarHBondContact O-N 3.27Å; G686-W688 PolarHBondContact O-N 2.9Å; G686-W871 WeakPolarHBondContact O-CH2 3.1Å
687	K	98.7	Very high	98.6	Very high	37 Å²	37	13.1 Å²	13.1	16%	0.161	8%	0.081	C	C	.	.	P	Polyproline II helix	trans	-64	134.8	-178.1	-174.8	173	176	177.3	0	111.2	S573 S575 E683 D844 G846	S573-K687 PolarHBondContact OG-NZ 2.8Å; S575-K687 PolarHBondContact OG-NZ 3.38Å; E683-K687 HydrophobicContact CB-CB 4.36Å; E683-K687 PolarHBondContact N-O 3.44Å; K687-D844 IonicContact NZ-OD1 3.77Å; K687-D844 PolarHBondContact NZ-OD1 3.3Å; K687-D844 IonicContact NZ-OD2 2.94Å; K687-D844 PolarHBondContact NZ-OD2 3.18Å; K687-G846 PolarHBondContact NZ-O 2.96Å
688	W	98.9	Very high	98.6	Very high	6 Å²	6	13.1 Å²	13.1	2%	0.023	8%	0.082	C	C	.	.	B	Isolated β-bridge	trans	-76.2	128.4	-180	-71.5	16.8	0	0	0	111	S389 D392 G686 H692 H693 R851	S389-W688 VanDerWaalsContact CB-NE1 3.32Å; S389-W688 PolarHBondContact OG-NE1 3.39Å; D392-W688 HydrophobicContact CB-CH2 3.87Å; D392-W688 HydrophobicContact CB-CZ2 4.01Å; G686-W688 PolarHBondContact O-N 2.9Å; W688-H692 HydrophobicContact CB-CB 4.1Å; W688-H692 HydrophobicContact CD2-CB 4.09Å; W688-H692 AromaticContact CD2-CD2 3.3Å; W688-H692 AromaticContact CD2-CG 3.98Å; W688-H692 AromaticContact CE2-CD2 3.17Å; W688-H692 AromaticContact CE2-NE2 3.72Å; W688-H692 HydrophobicContact CE3-CB 4.17Å; W688-H692 AromaticContact CE3-CD2 3.57Å; W688-H692 HydrophobicContact CG-CB 4.08Å; W688-H692 AromaticContact CG-CD2 3.89Å; W688-H692 AromaticContact CH2-CD2 3.62Å; W688-H692 AromaticContact CZ2-CD2 3.35Å; W688-H692 WeakPolarHBondContact CZ2-CD2 3.47Å; W688-H692 AromaticContact CZ2-NE2 3.65Å; W688-H692 AromaticContact CZ3-CD2 3.73Å; W688-H692 AromaticContact NE1-CD2 3.7Å; W688-H693 AromaticContact CE3-CE1 3.51Å; W688-H693 AromaticContact CE3-CG 4Å; W688-H693 AromaticContact CE3-ND1 3.63Å; W688-H693 AromaticContact CE3-NE2 3.82Å; W688-H693 AromaticContact CZ3-ND1 3.99Å; W688-R851 HydrophobicContact CD2-CB 4.13Å; W688-R851 HydrophobicContact CE3-CB 4.49Å; W688-R851 HydrophobicContact CG-CB 4.29Å
689	K	98.9	Very high	98.6	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.082	C	C	.	.	P	Polyproline II helix	trans	-74.9	168.6	162	-59.4	-166.4	-168.3	162.2	0	110.1	S570 Q634 S680 S681 E683 L691 H692 H693	S570-K689 PolarHBondContact O-NZ 2.77Å; S570-K689 VanDerWaalsContact OG-CD 3.23Å; S570-K689 WeakPolarHBondContact OG-CD 3.22Å; S570-K689 PolarHBondContact OG-NZ 3.19Å; Q634-K689 HydrophobicContact CG-CD 4.43Å; S680-K689 VanDerWaalsContact O-CD 3.32Å; S680-K689 WeakPolarHBondContact O-CD 3.29Å; S680-K689 WeakPolarHBondContact O-CE 3.37Å; S680-K689 PolarHBondContact O-NZ 2.95Å; S680-K689 WeakPolarHBondContact OG-CE 3.23Å; S680-K689 PolarHBondContact OG-NZ 2.92Å; S681-K689 VanDerWaalsContact O-CB 3.27Å; S681-K689 WeakPolarHBondContact O-CB 3.29Å; S681-K689 PolarHBondContact O-N 3Å; E683-K689 HydrophobicContact CG-CD 4.2Å; E683-K689 HydrophobicContact CG-CG 3.46Å; E683-K689 VanDerWaalsContact CG-CG 3.46Å; K689-L691 PolarHBondContact O-N 3.17Å; K689-H692 PolarHBondContact O-N 2.71Å; K689-H693 PolarHBondContact O-CD2 3.31Å
690	M	98.9	Very high	98.6	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-53.6	-37.4	174.6	-166.2	175.7	-61.4	0	0	113	Y631 Q634 V635 A638 H692 H693 F694 F840 W842	Y631-M690 HydrophobicContact CD2-CE 4.2Å; Y631-M690 HydrophobicContact CE2-CE 3.8Å; Q634-M690 HydrophobicContact CB-CB 4.09Å; V635-M690 HydrophobicContact CB-SD 4.37Å; V635-M690 HydrophobicContact CG2-CE 3.58Å; V635-M690 HydrophobicContact CG2-SD 3.76Å; A638-M690 HydrophobicContact CB-CB 4.13Å; A638-M690 HydrophobicContact CB-CG 3.88Å; A638-M690 HydrophobicContact CB-SD 4.24Å; M690-H692 VanDerWaalsContact C-N 3.29Å; M690-H692 PolarHBondContact O-N 2.89Å; M690-H693 PolarHBondContact O-N 2.92Å; M690-F694 HydrophobicContact CG-CD1 4.21Å; M690-F694 HydrophobicContact CG-CE1 3.85Å; M690-F694 HydrophobicContact CG-CZ 4.39Å; M690-F694 WeakPolarHBondContact O-CD1 3.26Å; M690-F694 PolarHBondContact O-N 2.79Å; M690-F694 VanDerWaalsContact O-N 3.15Å; M690-F694 HydrophobicContact SD-CE1 4.27Å; M690-F694 HydrophobicContact SD-CZ 4.32Å; M690-F840 HydrophobicContact SD-CD1 4.06Å; M690-W842 HydrophobicContact CB-CE3 4.2Å; M690-W842 HydrophobicContact CB-CH2 4.39Å; M690-W842 HydrophobicContact CB-CZ3 3.82Å; M690-W842 HydrophobicContact CE-CB 4.18Å; M690-W842 HydrophobicContact CE-CD2 4.12Å; M690-W842 HydrophobicContact CE-CE3 3.73Å; M690-W842 HydrophobicContact CE-CG 4.34Å; M690-W842 HydrophobicContact CE-CZ3 4.48Å; M690-W842 HydrophobicContact CG-CE3 4.26Å; M690-W842 HydrophobicContact CG-CZ3 4.16Å
691	L	98.9	Very high	98.6	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-55.3	-40.4	176.9	174.7	58	0	0	0	113	Q637 V641 Y667 K689 H693 F694 A695 F698	Q637-L691 HydrophobicContact CG-CB 4.34Å; Q637-L691 HydrophobicContact CG-CD2 3.93Å; V641-L691 HydrophobicContact CB-CD1 3.57Å; V641-L691 HydrophobicContact CB-CD2 4.5Å; V641-L691 HydrophobicContact CG1-CD1 3.61Å; V641-L691 HydrophobicContact CG1-CD2 4.45Å; V641-L691 HydrophobicContact CG2-CD1 4.11Å; V641-L691 HydrophobicContact CG2-CD2 4.18Å; Y667-L691 HydrophobicContact CD2-CD2 4.42Å; Y667-L691 HydrophobicContact CE2-CD2 4.14Å; K689-L691 PolarHBondContact O-N 3.17Å; L691-H693 VanDerWaalsContact C-N 3.33Å; L691-H693 PolarHBondContact O-N 3.2Å; L691-F694 CarbonylContact O-C 3.58Å; L691-F694 WeakPolarHBondContact O-CB 3.38Å; L691-F694 PolarHBondContact O-N 2.84Å; L691-F694 VanDerWaalsContact O-N 3.08Å; L691-A695 PolarHBondContact O-N 2.67Å; L691-F698 HydrophobicContact CD1-CE1 4.14Å; L691-F698 HydrophobicContact CD1-CZ 4.29Å
692	H	98.9	Very high	98.5	Very high	0 Å²	0	16 Å²	16	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-70.4	-32.6	-176.3	-150.4	79.4	0	0	0	112.4	S389 A393 S681 I682 W688 K689 M690 F694 A695 Q696	S389-H692 PolarHBondContact O-NE2 3.2Å; A393-H692 WeakPolarHBondContact CB-NE2 3.16Å; S681-H692 PolarHBondContact OG-ND1 3.48Å; I682-H692 WeakPolarHBondContact CG1-ND1 3.26Å; W688-H692 HydrophobicContact CB-CB 4.1Å; W688-H692 HydrophobicContact CD2-CB 4.09Å; W688-H692 AromaticContact CD2-CD2 3.3Å; W688-H692 AromaticContact CD2-CG 3.98Å; W688-H692 AromaticContact CE2-CD2 3.17Å; W688-H692 AromaticContact CE2-NE2 3.72Å; W688-H692 HydrophobicContact CE3-CB 4.17Å; W688-H692 AromaticContact CE3-CD2 3.57Å; W688-H692 HydrophobicContact CG-CB 4.08Å; W688-H692 AromaticContact CG-CD2 3.89Å; W688-H692 AromaticContact CH2-CD2 3.62Å; W688-H692 AromaticContact CZ2-CD2 3.35Å; W688-H692 WeakPolarHBondContact CZ2-CD2 3.47Å; W688-H692 AromaticContact CZ2-NE2 3.65Å; W688-H692 AromaticContact CZ3-CD2 3.73Å; W688-H692 AromaticContact NE1-CD2 3.7Å; K689-H692 PolarHBondContact O-N 2.71Å; M690-H692 VanDerWaalsContact C-N 3.29Å; M690-H692 PolarHBondContact O-N 2.89Å; H692-F694 VanDerWaalsContact C-N 3.3Å; H692-A695 PolarHBondContact O-N 3.11Å; H692-Q696 PolarHBondContact O-N 2.96Å
693	H	98.8	Very high	98.5	Very high	4 Å²	4	16 Å²	16	2%	0.019	11%	0.105	C	C	.	.	H	α-helix	trans	-66.7	-34.1	170.4	-67.8	-79.1	0	0	0	111.9	W688 K689 M690 L691 N697 W842 F852 N855	W688-H693 AromaticContact CE3-CE1 3.51Å; W688-H693 AromaticContact CE3-CG 4Å; W688-H693 AromaticContact CE3-ND1 3.63Å; W688-H693 AromaticContact CE3-NE2 3.82Å; W688-H693 AromaticContact CZ3-ND1 3.99Å; K689-H693 PolarHBondContact O-CD2 3.31Å; M690-H693 PolarHBondContact O-N 2.92Å; L691-H693 VanDerWaalsContact C-N 3.33Å; L691-H693 PolarHBondContact O-N 3.2Å; H693-N697 PolarHBondContact O-ND2 3.36Å; H693-W842 AromaticContact CD2-CZ3 3.85Å; H693-F852 PolarHBondContact CE1-O 2.95Å; H693-F852 VanDerWaalsContact CE1-O 3.3Å; H693-N855 HydrophobicContact CB-CB 4.32Å
694	F	98.9	Very high	98.5	Very high	12 Å²	12	16 Å²	16	5%	0.053	10%	0.104	C	C	.	.	H	α-helix	trans	-71.8	-37	175.2	-80.9	36.2	0	0	0	111	A638 E639 K642 M690 L691 H692 Q696 N697 F698 F840 G856	A638-F694 HydrophobicContact CB-CD1 4.29Å; A638-F694 HydrophobicContact CB-CD2 3.61Å; A638-F694 HydrophobicContact CB-CE1 4.41Å; A638-F694 HydrophobicContact CB-CE2 3.71Å; A638-F694 HydrophobicContact CB-CG 3.91Å; A638-F694 HydrophobicContact CB-CZ 4.14Å; A638-F694 WeakPolarHBondContact O-CD2 3.34Å; E639-F694 HydrophobicContact CG-CE2 4.47Å; E639-F694 VanDerWaalsContact OE1-CE2 3.24Å; E639-F694 WeakPolarHBondContact OE1-CE2 3.34Å; K642-F694 HydrophobicContact CB-CD2 4.07Å; K642-F694 HydrophobicContact CD-CD2 3.94Å; K642-F694 HydrophobicContact CD-CE2 4.23Å; M690-F694 HydrophobicContact CG-CD1 4.21Å; M690-F694 HydrophobicContact CG-CE1 3.85Å; M690-F694 HydrophobicContact CG-CZ 4.39Å; M690-F694 WeakPolarHBondContact O-CD1 3.26Å; M690-F694 PolarHBondContact O-N 2.79Å; M690-F694 VanDerWaalsContact O-N 3.15Å; M690-F694 HydrophobicContact SD-CE1 4.27Å; M690-F694 HydrophobicContact SD-CZ 4.32Å; L691-F694 CarbonylContact O-C 3.58Å; L691-F694 WeakPolarHBondContact O-CB 3.38Å; L691-F694 PolarHBondContact O-N 2.84Å; L691-F694 VanDerWaalsContact O-N 3.08Å; H692-F694 VanDerWaalsContact C-N 3.3Å; F694-Q696 VanDerWaalsContact C-N 3.3Å; F694-Q696 PolarHBondContact O-N 3.47Å; F694-N697 WeakPolarHBondContact O-CA 3.43Å; F694-N697 WeakPolarHBondContact O-CB 2.99Å; F694-N697 PolarHBondContact O-N 3.06Å; F694-F698 VanDerWaalsContact C-CE1 3.44Å; F694-F698 HydrophobicContact CB-CD1 4.03Å; F694-F698 HydrophobicContact CB-CE1 3.91Å; F694-F698 WeakPolarHBondContact O-CD1 3.46Å; F694-F698 WeakPolarHBondContact O-CG 3.27Å; F694-F698 PolarHBondContact O-N 3.2Å; F694-F840 HydrophobicContact CZ-CD1 4.26Å; F694-F840 HydrophobicContact CZ-CE1 4.24Å; F694-G856 VanDerWaalsContact CE1-O 3.29Å; F694-G856 WeakPolarHBondContact CE1-O 3.39Å; F694-G856 WeakPolarHBondContact CZ-O 3.49Å
695	A	98.9	Very high	98.5	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-58.2	-42.1	176.5	0	0	0	0	0	112.6	A393 M395 Y667 L691 H692 N697 F698 F699	A393-A695 HydrophobicContact CB-CB 4.24Å; M395-A695 HydrophobicContact CE-CB 4.41Å; Y667-A695 HydrophobicContact CE1-CB 4.27Å; L691-A695 PolarHBondContact O-N 2.67Å; H692-A695 PolarHBondContact O-N 3.11Å; A695-N697 PolarHBondContact O-N 3.26Å; A695-F698 VanDerWaalsContact CA-CE1 3.43Å; A695-F698 VanDerWaalsContact CA-CE2 3.45Å; A695-F698 HydrophobicContact CB-CE1 4.09Å; A695-F698 HydrophobicContact CB-CE2 3.79Å; A695-F698 HydrophobicContact CB-CZ 3.52Å; A695-F698 VanDerWaalsContact N-CE1 3.34Å; A695-F698 PolarHBondContact O-N 2.77Å; A695-F699 HydrophobicContact CB-CD2 4.3Å; A695-F699 VanDerWaalsContact O-CB 3.29Å; A695-F699 WeakPolarHBondContact O-CB 3.48Å; A695-F699 PolarHBondContact O-N 3.28Å
696	Q	98.4	Very high	98.6	Very high	41 Å²	41	11.1 Å²	11.1	19%	0.192	7%	0.066	C	C	.	.	H	α-helix	trans	-52.1	-40.9	171.7	-177.3	174.6	63.7	0	0	112.5	D392 N394 H692 F694 S853	D392-Q696 WeakPolarHBondContact O-CG 3.41Å; D392-Q696 PolarHBondContact O-NE2 2.87Å; N394-Q696 PolarHBondContact ND2-O 2.95Å; H692-Q696 PolarHBondContact O-N 2.96Å; F694-Q696 VanDerWaalsContact C-N 3.3Å; F694-Q696 PolarHBondContact O-N 3.47Å; Q696-S853 PolarHBondContact OE1-O 2.83Å; Q696-S853 VanDerWaalsContact OE1-O 3.1Å
697	N	98.3	Very high	98.6	Very high	54 Å²	54	11.7 Å²	11.7	29%	0.289	7%	0.067	S	C	.	.	H	α-helix	trans	-78.2	-53.9	-179.2	-62.8	-36.2	0	0	0	111.8	H693 F694 A695 F699 A700 P797	H693-N697 PolarHBondContact O-ND2 3.36Å; F694-N697 WeakPolarHBondContact O-CA 3.43Å; F694-N697 WeakPolarHBondContact O-CB 2.99Å; F694-N697 PolarHBondContact O-N 3.06Å; A695-N697 PolarHBondContact O-N 3.26Å; N697-F699 PolarHBondContact O-N 2.67Å; N697-A700 WeakPolarHBondContact O-CB 3.47Å; N697-A700 PolarHBondContact O-N 3Å; N697-P797 HydrophobicContact CB-CB 4.24Å; N697-P797 HydrophobicContact CB-CG 4.05Å
698	F	98.8	Very high	98.5	Very high	1 Å²	1	11.4 Å²	11.4	0%	0.004	7%	0.066	C	C	.	.	H	α-helix	trans	-72.1	-11.8	-175.1	63.5	-122.4	0	0	0	113.5	V641 K642 T645 E646 R649 Y667 L691 F694 A695 L703	V641-F698 HydrophobicContact CG1-CZ 4.23Å; K642-F698 HydrophobicContact CB-CD1 4Å; K642-F698 HydrophobicContact CB-CE1 4.4Å; K642-F698 HydrophobicContact CG-CD1 4.22Å; T645-F698 HydrophobicContact CG2-CD2 3.42Å; T645-F698 VanDerWaalsContact CG2-CD2 3.42Å; T645-F698 HydrophobicContact CG2-CE2 3.62Å; T645-F698 HydrophobicContact CG2-CG 4.19Å; E646-F698 HydrophobicContact CG-CB 4.13Å; R649-F698 WeakPolarHBondContact CD-O 3.4Å; R649-F698 PolarHBondContact NH1-O 2.87Å; Y667-F698 HydrophobicContact CE1-CZ 4.4Å; L691-F698 HydrophobicContact CD1-CE1 4.14Å; L691-F698 HydrophobicContact CD1-CZ 4.29Å; F694-F698 VanDerWaalsContact C-CE1 3.44Å; F694-F698 HydrophobicContact CB-CD1 4.03Å; F694-F698 HydrophobicContact CB-CE1 3.91Å; F694-F698 WeakPolarHBondContact O-CD1 3.46Å; F694-F698 WeakPolarHBondContact O-CG 3.27Å; F694-F698 PolarHBondContact O-N 3.2Å; A695-F698 VanDerWaalsContact CA-CE1 3.43Å; A695-F698 VanDerWaalsContact CA-CE2 3.45Å; A695-F698 HydrophobicContact CB-CE1 4.09Å; A695-F698 HydrophobicContact CB-CE2 3.79Å; A695-F698 HydrophobicContact CB-CZ 3.52Å; A695-F698 VanDerWaalsContact N-CE1 3.34Å; A695-F698 PolarHBondContact O-N 2.77Å; F698-L703 HydrophobicContact CB-CD2 4.48Å; F698-L703 WeakPolarHBondContact O-CD2 3.35Å
699	F	98.9	Very high	98.1	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	8.8	168.8	-69.3	-36.7	0	0	0	114.4	K364 N394 M395 T645 Y667 A695 N697	K364-F699 HydrophobicContact CB-CB 4.39Å; K364-F699 HydrophobicContact CB-CD1 3.61Å; K364-F699 HydrophobicContact CB-CD2 4.31Å; K364-F699 HydrophobicContact CB-CE1 3.81Å; K364-F699 HydrophobicContact CB-CE2 4.46Å; K364-F699 HydrophobicContact CB-CG 3.89Å; K364-F699 HydrophobicContact CB-CZ 4.23Å; K364-F699 HydrophobicContact CD-CB 4.03Å; K364-F699 HydrophobicContact CD-CD1 3.86Å; K364-F699 HydrophobicContact CD-CG 4.22Å; K364-F699 HydrophobicContact CG-CD1 3.76Å; K364-F699 HydrophobicContact CG-CE1 4.12Å; K364-F699 HydrophobicContact CG-CG 4.36Å; K364-F699 PolarHBondContact NZ-O 2.94Å; N394-F699 HydrophobicContact CB-CB 3.93Å; N394-F699 WeakPolarHBondContact CB-O 3.35Å; M395-F699 HydrophobicContact CE-CE2 4.32Å; M395-F699 HydrophobicContact CG-CD2 4.03Å; M395-F699 HydrophobicContact CG-CE2 4.14Å; T645-F699 HydrophobicContact CG2-CD1 4.13Å; T645-F699 HydrophobicContact CG2-CE1 3.48Å; T645-F699 VanDerWaalsContact CG2-CE1 3.48Å; T645-F699 HydrophobicContact CG2-CZ 4.08Å; Y667-F699 HydrophobicContact CD1-CE2 4.24Å; Y667-F699 HydrophobicContact CD1-CZ 4.3Å; Y667-F699 AromaticContact CE1-CE2 3.98Å; Y667-F699 HydrophobicContact CE1-CE2 3.98Å; Y667-F699 HydrophobicContact CE1-CZ 4.49Å; A695-F699 HydrophobicContact CB-CD2 4.3Å; A695-F699 VanDerWaalsContact O-CB 3.29Å; A695-F699 WeakPolarHBondContact O-CB 3.48Å; A695-F699 PolarHBondContact O-N 3.28Å; N697-F699 PolarHBondContact O-N 2.67Å
700	A	98.6	Very high	97.3	Very high	10 Å²	10	19.9 Å²	19.9	8%	0.083	11%	0.112	C	C	.	.			trans	-54.9	145.9	173.9	0	0	0	0	0	112.3	R649 N697 V702 P797	R649-A700 PolarHBondContact NH1-O 3.36Å; R649-A700 PolarHBondContact NH2-O 3.21Å; N697-A700 WeakPolarHBondContact O-CB 3.47Å; N697-A700 PolarHBondContact O-N 3Å; A700-V702 WeakPolarHBondContact CB-O 3.04Å; A700-V702 PolarHBondContact O-N 2.83Å; A700-P797 VanDerWaalsContact CB-CD 3.4Å; A700-P797 HydrophobicContact CB-CG 3.96Å
701	A	98.1	Very high	96.9	Very high	42 Å²	42	24.4 Å²	24.4	35%	0.347	14%	0.136	S	C	.	.	S	Bend	trans	-61.6	-32.3	-176.7	0	0	0	0	0	113	S720 D721 L722	A701-S720 CarbonylContact O-C 3.58Å; A701-S720 WeakPolarHBondContact O-CA 3.34Å; A701-D721 PolarHBondContact O-N 2.91Å; A701-L722 HydrophobicContact CB-CD2 4.07Å
702	V	98.4	Very high	96.5	Very high	10 Å²	10	28.6 Å²	28.6	6%	0.061	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	129.7	166.7	-172.3	0	0	0	0	106.9	A700 V719 L722 L726 L728 L787 H795 G796	A700-V702 WeakPolarHBondContact CB-O 3.04Å; A700-V702 PolarHBondContact O-N 2.83Å; V702-V719 CarbonylContact C-O 3.59Å; V702-V719 WeakPolarHBondContact CA-O 3.17Å; V702-L722 HydrophobicContact CG2-CD1 3.73Å; V702-L722 HydrophobicContact CG2-CG 4.07Å; V702-L726 HydrophobicContact CG2-CD1 4.01Å; V702-L728 HydrophobicContact CG1-CD1 4.01Å; V702-L787 HydrophobicContact CG1-CD1 3.83Å; V702-H795 HydrophobicContact CB-CB 4.25Å; V702-H795 HydrophobicContact CG1-CB 4.03Å; V702-H795 HydrophobicContact CG2-CB 4.48Å; V702-G796 VanDerWaalsContact O-CA 3.31Å; V702-G796 WeakPolarHBondContact O-CA 3.46Å
703	L	98.6	Very high	96.4	Very high	1 Å²	1	29 Å²	29	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	126.8	-176.3	173.5	71.1	0	0	0	110.7	E646 R649 F698 V705 V719 P797	E646-L703 HydrophobicContact CG-CD2 4.24Å; R649-L703 VanDerWaalsContact NH1-CD2 3.26Å; F698-L703 HydrophobicContact CB-CD2 4.48Å; F698-L703 WeakPolarHBondContact O-CD2 3.35Å; L703-V705 HydrophobicContact CD2-CG2 3.63Å; L703-V705 HydrophobicContact CG-CG2 3.9Å; L703-V719 HydrophobicContact CB-CB 4.4Å; L703-V719 PolarHBondContact N-O 2.97Å; L703-V719 PolarHBondContact O-N 2.82Å; L703-P797 HydrophobicContact CD1-CG 4.18Å
704	P	98.6	Very high	96.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	134.3	160.6	28.5	-29.9	0	0	0	111.8	V716 Y717 F785 L787 N799	P704-V716 HydrophobicContact CB-CG1 4.06Å; P704-Y717 CarbonylContact C-O 3.55Å; P704-Y717 VanDerWaalsContact CA-O 3.26Å; P704-Y717 WeakPolarHBondContact CA-O 3.43Å; P704-F785 HydrophobicContact CB-CD2 3.73Å; P704-F785 HydrophobicContact CB-CE2 3.99Å; P704-F785 HydrophobicContact CG-CD2 4.16Å; P704-F785 HydrophobicContact CG-CE2 4.44Å; P704-L787 HydrophobicContact CB-CD1 4.09Å; P704-L787 HydrophobicContact CB-CD2 4.13Å; P704-L787 HydrophobicContact CB-CG 3.8Å; P704-L787 HydrophobicContact CG-CD1 4.5Å; P704-L787 HydrophobicContact CG-CG 4.16Å; P704-N799 HydrophobicContact CG-CB 4.13Å; P704-N799 PolarHBondContact O-ND2 3.22Å
705	V	98.6	Very high	96.3	Very high	3 Å²	3	28.7 Å²	28.7	2%	0.018	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	117.9	174.7	174.3	0	0	0	0	109.2	E646 L703 F707 V716 Y717 V719	E646-V705 HydrophobicContact CB-CB 4.47Å; E646-V705 HydrophobicContact CB-CG1 3.73Å; E646-V705 HydrophobicContact CB-CG2 3.91Å; E646-V705 HydrophobicContact CG-CG1 4.45Å; E646-V705 HydrophobicContact CG-CG2 3.99Å; L703-V705 HydrophobicContact CD2-CG2 3.63Å; L703-V705 HydrophobicContact CG-CG2 3.9Å; V705-F707 HydrophobicContact CG1-CD1 4.39Å; V705-V716 CarbonylContact O-C 3.52Å; V705-V716 WeakPolarHBondContact O-CA 3.31Å; V705-Y717 PolarHBondContact N-O 2.82Å; V705-Y717 PolarHBondContact O-N 2.9Å; V705-V719 HydrophobicContact CG2-CG2 4.12Å
706	G	98.1	Very high	96.3	Very high	8 Å²	8	28.7 Å²	28.7	8%	0.082	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	134.4	178.5	0	0	0	0	0	111.7	L715 F785	G706-L715 VanDerWaalsContact CA-O 3.3Å; G706-L715 WeakPolarHBondContact CA-O 3.23Å; G706-F785 VanDerWaalsContact CA-CZ 3.4Å; G706-F785 VanDerWaalsContact N-CZ 3.31Å
707	F	97.7	Very high	96.3	Very high	16 Å²	16	27.6 Å²	27.6	7%	0.07	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	165	173.6	66.3	-80.6	0	0	0	110.7	W554 R650 V705 L715 Y717	W554-F707 HydrophobicContact CD2-CD2 4.42Å; W554-F707 AromaticContact CE2-CD2 3.67Å; W554-F707 HydrophobicContact CH2-CE2 4.48Å; W554-F707 AromaticContact CZ2-CD2 3.9Å; W554-F707 HydrophobicContact CZ2-CD2 3.9Å; W554-F707 AromaticContact CZ2-CE2 3.92Å; W554-F707 HydrophobicContact CZ2-CE2 3.92Å; W554-F707 AromaticContact NE1-CD2 3.52Å; R650-F707 VanDerWaalsContact NE-CE1 3.3Å; V705-F707 HydrophobicContact CG1-CD1 4.39Å; F707-L715 HydrophobicContact CE1-CB 4.07Å; F707-L715 HydrophobicContact CE2-CB 4.45Å; F707-L715 HydrophobicContact CE2-CD1 3.78Å; F707-L715 HydrophobicContact CZ-CB 4.04Å; F707-L715 HydrophobicContact CZ-CD1 3.66Å; F707-L715 HydrophobicContact CZ-CG 4.49Å; F707-L715 PolarHBondContact N-O 3.25Å; F707-L715 PolarHBondContact O-N 3.12Å; F707-Y717 AromaticContact CE1-CD2 3.5Å; F707-Y717 HydrophobicContact CE1-CD2 3.5Å; F707-Y717 VanDerWaalsContact CE1-CD2 3.5Å; F707-Y717 AromaticContact CE1-CE2 3.41Å; F707-Y717 HydrophobicContact CE1-CE2 3.41Å; F707-Y717 VanDerWaalsContact CE1-CE2 3.41Å; F707-Y717 HydrophobicContact CE1-CG 4.47Å; F707-Y717 HydrophobicContact CZ-CD2 4.09Å; F707-Y717 AromaticContact CZ-CE2 3.49Å; F707-Y717 HydrophobicContact CZ-CE2 3.49Å; F707-Y717 VanDerWaalsContact CZ-CE2 3.49Å
708	E	96.1	Very high	96.3	Very high	31 Å²	31	25 Å²	25	15%	0.145	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	135.7	174.8	-64.2	-177.7	-141.4	0	0	111.1	W554 T713 V766 R778 H801	W554-E708 PolarHBondContact NE1-O 3.09Å; E708-T713 WeakPolarHBondContact CA-O 3.49Å; E708-V766 HydrophobicContact CG-CG2 4.13Å; E708-R778 VanDerWaalsContact CD-NH1 3.28Å; E708-R778 IonicContact OE1-CZ 3.46Å; E708-R778 IonicContact OE1-NH1 3.95Å; E708-R778 PolarHBondContact OE1-NH1 2.89Å; E708-R778 IonicContact OE2-CZ 3.19Å; E708-R778 IonicContact OE2-NH1 2.79Å; E708-R778 PolarHBondContact OE2-NH1 3.21Å; E708-R778 IonicContact OE2-NH2 3.85Å; E708-R778 PolarHBondContact OE2-NH2 2.85Å; E708-H801 WeakPolarHBondContact CG-NE2 3.49Å; E708-H801 IonicContact OE1-CD2 2.98Å; E708-H801 IonicContact OE1-CE1 3.27Å; E708-H801 IonicContact OE1-NE2 3.81Å; E708-H801 PolarHBondContact OE1-NE2 2.95Å
709	D	90.6	Very high	96.3	Very high	54 Å²	54	25 Å²	25	29%	0.289	14%	0.14	S	C	.	.			trans	-86.9	176.4	173.8	-153.1	2.5	0	0	0	111.9	D711 D712 T713 L715	D709-D711 PolarHBondContact O-N 2.82Å; D709-D711 VanDerWaalsContact O-N 3.09Å; D709-D712 PolarHBondContact O-N 2.99Å; D709-T713 PolarHBondContact N-O 2.82Å; D709-L715 HydrophobicContact CB-CD1 3.97Å
710	D	83.3	Confident	96.3	Very high	129 Å²	129	25 Å²	25	69%	0.69	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-24.4	-177.1	-78.8	-35.2	0	0	0	115.2	K555	K555-D710 WeakPolarHBondContact CE-OD1 3.34Å; K555-D710 IonicContact NZ-OD1 2.91Å; K555-D710 PolarHBondContact NZ-OD1 2.71Å
711	D	88.7	Confident	96.3	Very high	95 Å²	95	25.1 Å²	25.1	51%	0.508	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	22.4	-176.8	69.3	-12.5	0	0	0	113.7	D709 T713	D709-D711 PolarHBondContact O-N 2.82Å; D709-D711 VanDerWaalsContact O-N 3.09Å; D711-T713 PolarHBondContact O-N 3.21Å; D711-T713 WeakPolarHBondContact OD1-CB 3.44Å; D711-T713 PolarHBondContact OD1-N 3.3Å; D711-T713 PolarHBondContact OD1-OG1 3.49Å; D711-T713 PolarHBondContact OD2-OG1 2.81Å
712	D	91.9	Very high	96.2	Very high	90 Å²	90	25.2 Å²	25.2	48%	0.481	13%	0.134	S	C	.	.	S	Bend	trans	57.4	31.7	-174.5	-71.7	-54.2	0	0	0	112.4	D709 V766 R778	D709-D712 PolarHBondContact O-N 2.99Å; D712-V766 WeakPolarHBondContact O-CB 3.23Å; D712-V766 VanDerWaalsContact O-CG2 3.28Å; D712-V766 WeakPolarHBondContact O-CG2 3.46Å; D712-V766 PolarHBondContact O-N 3.36Å; D712-R778 IonicContact OD1-CZ 3.09Å; D712-R778 IonicContact OD1-NH2 2.7Å; D712-R778 PolarHBondContact OD1-NH2 2.96Å
713	T	96.9	Very high	95.9	Very high	8 Å²	8	29 Å²	29	5%	0.049	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	125.5	174.3	-63.6	0	0	0	0	111.2	E708 D709 D711 L715 K763	E708-T713 WeakPolarHBondContact CA-O 3.49Å; D709-T713 PolarHBondContact N-O 2.82Å; D711-T713 PolarHBondContact O-N 3.21Å; D711-T713 WeakPolarHBondContact OD1-CB 3.44Å; D711-T713 PolarHBondContact OD1-N 3.3Å; D711-T713 PolarHBondContact OD1-OG1 3.49Å; D711-T713 PolarHBondContact OD2-OG1 2.81Å; T713-L715 HydrophobicContact CG2-CD2 4.38Å; T713-L715 PolarHBondContact O-N 3.01Å; T713-K763 HydrophobicContact CG2-CD 4.3Å; T713-K763 HydrophobicContact CG2-CG 3.55Å
714	L	97.8	Very high	95.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	122.8	168.3	-179.8	68.4	0	0	0	109.4	V732 Y762 K763 Q764 V766 L769 L783	L714-V732 HydrophobicContact CD2-CG1 4.4Å; L714-Y762 HydrophobicContact CD2-CD1 4.43Å; L714-Y762 HydrophobicContact CD2-CE1 3.96Å; L714-Y762 HydrophobicContact CG-CE1 4.47Å; L714-K763 WeakPolarHBondContact O-CA 3.02Å; L714-Q764 PolarHBondContact N-O 2.79Å; L714-Q764 PolarHBondContact O-N 3.47Å; L714-V766 HydrophobicContact CB-CG2 4.06Å; L714-L769 HydrophobicContact CD2-CD1 3.71Å; L714-L783 HydrophobicContact CD1-CD1 4.17Å; L714-L783 HydrophobicContact CD2-CD1 3.39Å; L714-L783 HydrophobicContact CG-CD1 4.39Å
715	L	98.1	Very high	95.7	Very high	10 Å²	10	37.4 Å²	37.4	5%	0.052	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	135	168.9	-64	169.5	0	0	0	108.8	G706 F707 D709 T713 Y717 V760 Y762 K763	G706-L715 VanDerWaalsContact CA-O 3.3Å; G706-L715 WeakPolarHBondContact CA-O 3.23Å; F707-L715 HydrophobicContact CE1-CB 4.07Å; F707-L715 HydrophobicContact CE2-CB 4.45Å; F707-L715 HydrophobicContact CE2-CD1 3.78Å; F707-L715 HydrophobicContact CZ-CB 4.04Å; F707-L715 HydrophobicContact CZ-CD1 3.66Å; F707-L715 HydrophobicContact CZ-CG 4.49Å; F707-L715 PolarHBondContact N-O 3.25Å; F707-L715 PolarHBondContact O-N 3.12Å; D709-L715 HydrophobicContact CB-CD1 3.97Å; T713-L715 HydrophobicContact CG2-CD2 4.38Å; T713-L715 PolarHBondContact O-N 3.01Å; L715-Y717 HydrophobicContact CB-CD2 4.38Å; L715-Y717 HydrophobicContact CB-CE2 4.21Å; L715-Y717 HydrophobicContact CD1-CE2 4.36Å; L715-V760 HydrophobicContact CD2-CG1 3.88Å; L715-Y762 WeakPolarHBondContact CA-O 3.17Å; L715-K763 HydrophobicContact CD2-CB 3.9Å; L715-K763 HydrophobicContact CD2-CD 3.83Å; L715-K763 HydrophobicContact CD2-CG 3.64Å
716	V	98.5	Very high	95.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	120.6	163.6	-172.1	0	0	0	0	108	P704 V705 A730 V732 I761 Y762 F785	P704-V716 HydrophobicContact CB-CG1 4.06Å; V705-V716 CarbonylContact O-C 3.52Å; V705-V716 WeakPolarHBondContact O-CA 3.31Å; V716-A730 HydrophobicContact CG1-CB 4.42Å; V716-V732 HydrophobicContact CG2-CG2 4.34Å; V716-I761 HydrophobicContact CB-CG2 4.36Å; V716-I761 HydrophobicContact CG1-CG2 4.29Å; V716-I761 WeakPolarHBondContact O-CG2 3.44Å; V716-I761 PolarHBondContact O-N 3.27Å; V716-Y762 HydrophobicContact CG2-CD1 4.04Å; V716-Y762 HydrophobicContact CG2-CG 4.44Å; V716-Y762 PolarHBondContact N-O 2.87Å; V716-Y762 PolarHBondContact O-N 3.1Å; V716-F785 HydrophobicContact CG1-CD2 3.91Å; V716-F785 HydrophobicContact CG1-CE2 4.24Å; V716-F785 HydrophobicContact CG2-CG 4.43Å
717	Y	98.6	Very high	95.5	Very high	17 Å²	17	42.3 Å²	42.3	7%	0.067	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	144.7	171	-81.1	-123.4	0	0	0	109.6	R650 E654 P704 V705 F707 L715 G759 V760	R650-Y717 HydrophobicContact CB-CD1 3.81Å; R650-Y717 HydrophobicContact CB-CE1 4.33Å; R650-Y717 HydrophobicContact CB-CG 4.1Å; E654-Y717 WeakPolarHBondContact OE2-CE1 3.17Å; E654-Y717 PolarHBondContact OE2-OH 2.77Å; P704-Y717 CarbonylContact C-O 3.55Å; P704-Y717 VanDerWaalsContact CA-O 3.26Å; P704-Y717 WeakPolarHBondContact CA-O 3.43Å; V705-Y717 PolarHBondContact N-O 2.82Å; V705-Y717 PolarHBondContact O-N 2.9Å; F707-Y717 AromaticContact CE1-CD2 3.5Å; F707-Y717 HydrophobicContact CE1-CD2 3.5Å; F707-Y717 VanDerWaalsContact CE1-CD2 3.5Å; F707-Y717 AromaticContact CE1-CE2 3.41Å; F707-Y717 HydrophobicContact CE1-CE2 3.41Å; F707-Y717 VanDerWaalsContact CE1-CE2 3.41Å; F707-Y717 HydrophobicContact CE1-CG 4.47Å; F707-Y717 HydrophobicContact CZ-CD2 4.09Å; F707-Y717 AromaticContact CZ-CE2 3.49Å; F707-Y717 HydrophobicContact CZ-CE2 3.49Å; F707-Y717 VanDerWaalsContact CZ-CE2 3.49Å; L715-Y717 HydrophobicContact CB-CD2 4.38Å; L715-Y717 HydrophobicContact CB-CE2 4.21Å; L715-Y717 HydrophobicContact CD1-CE2 4.36Å; Y717-G759 CarbonylContact C-O 3.52Å; Y717-G759 WeakPolarHBondContact CA-O 3.29Å; Y717-V760 HydrophobicContact CD2-CG2 4.03Å; Y717-V760 HydrophobicContact CE1-CG2 4.03Å; Y717-V760 HydrophobicContact CE2-CB 4.48Å; Y717-V760 HydrophobicContact CE2-CG2 3.49Å; Y717-V760 VanDerWaalsContact CE2-CG2 3.49Å; Y717-V760 VanDerWaalsContact CZ-CG2 3.49Å
718	A	98.6	Very high	95.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	124.7	161.5	0	0	0	0	0	108.9	V753 A758 G759 I761 L787	A718-V753 HydrophobicContact CB-CG1 4.12Å; A718-V753 HydrophobicContact CB-CG2 3.76Å; A718-A758 VanDerWaalsContact O-CA 3.28Å; A718-A758 WeakPolarHBondContact O-CA 3.36Å; A718-G759 PolarHBondContact N-O 3.22Å; A718-G759 PolarHBondContact O-N 3.24Å; A718-I761 HydrophobicContact CB-CB 4.43Å; A718-I761 HydrophobicContact CB-CD1 4.16Å; A718-I761 HydrophobicContact CB-CG2 4.41Å; A718-L787 HydrophobicContact CB-CD1 3.62Å; A718-L787 HydrophobicContact CB-CD2 4.16Å
719	V	98.7	Very high	95.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	132	174.3	-175.6	0	0	0	0	108.7	R649 R650 V702 L703 V705 A758	R649-V719 HydrophobicContact CB-CG1 4.3Å; R649-V719 HydrophobicContact CB-CG2 4.43Å; R650-V719 HydrophobicContact CB-CG2 4.45Å; V702-V719 CarbonylContact C-O 3.59Å; V702-V719 WeakPolarHBondContact CA-O 3.17Å; L703-V719 HydrophobicContact CB-CB 4.4Å; L703-V719 PolarHBondContact N-O 2.97Å; L703-V719 PolarHBondContact O-N 2.82Å; V705-V719 HydrophobicContact CG2-CG2 4.12Å; V719-A758 HydrophobicContact CB-CB 4.43Å; V719-A758 HydrophobicContact CG1-CB 4.42Å; V719-A758 HydrophobicContact CG2-CB 3.94Å
720	S	98.2	Very high	96	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.007	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	129.9	178.1	-179.4	0	0	0	0	111.8	R652 A701 L722 G756 S757	R652-S720 PolarHBondContact NH1-O 3.11Å; A701-S720 CarbonylContact O-C 3.58Å; A701-S720 WeakPolarHBondContact O-CA 3.34Å; S720-L722 WeakPolarHBondContact OG-CB 3.46Å; S720-L722 PolarHBondContact OG-N 3.42Å; S720-G756 CarbonylContact O-C 3.58Å; S720-G756 VanDerWaalsContact O-C 3.26Å; S720-G756 WeakPolarHBondContact O-CA 3.49Å; S720-G756 PolarHBondContact O-N 3.38Å; S720-S757 PolarHBondContact N-O 2.66Å; S720-S757 PolarHBondContact O-N 2.63Å
721	D	98.1	Very high	96.7	Very high	13 Å²	13	34.6 Å²	34.6	7%	0.07	18%	0.181	C	C	.	.			trans	-98.3	-0.3	167.6	-65.2	-34.6	0	0	0	112.4	R359 K364 R649 R652 A701	R359-D721 PolarHBondContact NH2-O 2.87Å; K364-D721 WeakPolarHBondContact CD-OD2 3.27Å; K364-D721 WeakPolarHBondContact CE-OD2 3.44Å; K364-D721 IonicContact NZ-OD2 3.74Å; K364-D721 PolarHBondContact NZ-OD2 2.94Å; R649-D721 IonicContact CZ-OD2 2.86Å; R649-D721 VanDerWaalsContact NH2-CG 3.34Å; R649-D721 IonicContact NH2-OD1 3.76Å; R649-D721 PolarHBondContact NH2-OD1 3.08Å; R649-D721 IonicContact NH2-OD2 2.9Å; R649-D721 PolarHBondContact NH2-OD2 3.04Å; R652-D721 IonicContact CZ-OD1 3.38Å; R652-D721 IonicContact NH1-OD1 3.2Å; R652-D721 PolarHBondContact NH1-OD1 3.45Å; R652-D721 IonicContact NH2-OD1 3.94Å; A701-D721 PolarHBondContact O-N 2.91Å
722	L	96.6	Very high	97.1	Very high	43 Å²	43	30.1 Å²	30.1	23%	0.225	16%	0.157	C	C	.	.	S	Bend	trans	-67.5	160.4	-177.5	-56.4	-178.4	0	0	0	111.6	R359 A701 V702 S720 H724 L726 G755 G756	R359-L722 PolarHBondContact NH2-O 3.42Å; A701-L722 HydrophobicContact CB-CD2 4.07Å; V702-L722 HydrophobicContact CG2-CD1 3.73Å; V702-L722 HydrophobicContact CG2-CG 4.07Å; S720-L722 WeakPolarHBondContact OG-CB 3.46Å; S720-L722 PolarHBondContact OG-N 3.42Å; L722-H724 VanDerWaalsContact C-N 3.32Å; L722-L726 HydrophobicContact CD1-CD1 3.42Å; L722-L726 VanDerWaalsContact CD1-CD1 3.42Å; L722-L726 HydrophobicContact CD1-CG 3.98Å; L722-G755 CarbonylContact O-C 3.54Å; L722-G755 VanDerWaalsContact O-C 3.25Å; L722-G755 WeakPolarHBondContact O-CA 3.36Å; L722-G756 PolarHBondContact O-N 2.81Å
723	S	92.8	Very high	97.4	Very high	90 Å²	90	26.3 Å²	26.3	63%	0.629	14%	0.137	S	C	*	.	S	Bend	trans	-83.2	-10	177.3	51.9	0	0	0	0	114	R359	R359-S723 VanDerWaalsContact NH2-CA 3.26Å; R359-S723 VanDerWaalsContact NH2-N 3.19Å
724	H	94.7	Very high	97.5	Very high	98 Å²	98	26 Å²	26	45%	0.454	14%	0.135	S	C	.	.	S	Bend	trans	-131.5	160.8	-175.3	59	-83.7	0	0	0	109.8	L722 G755	L722-H724 VanDerWaalsContact C-N 3.32Å; H724-G755 VanDerWaalsContact O-CA 3.3Å; H724-G755 WeakPolarHBondContact O-CA 3.3Å
725	D	97.1	Very high	97.4	Very high	80 Å²	80	27.5 Å²	27.5	43%	0.428	14%	0.141	S	C	.	.			trans	-78.9	148.7	-178.9	-58.3	-7.1	0	0	0	110.3	L752 V753 S754 G755	D725-L752 HydrophobicContact CB-CD1 3.76Å; D725-L752 HydrophobicContact CB-CG 4.23Å; D725-V753 WeakPolarHBondContact CA-O 3.35Å; D725-S754 WeakPolarHBondContact OD1-CA 3.35Å; D725-G755 PolarHBondContact OD1-N 3.44Å
726	L	96.3	Very high	97.3	Very high	26 Å²	26	28.2 Å²	28.2	14%	0.136	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	138.4	173.6	-68.9	179.2	0	0	0	109.9	V702 L722 L728 V753	V702-L726 HydrophobicContact CG2-CD1 4.01Å; L722-L726 HydrophobicContact CD1-CD1 3.42Å; L722-L726 VanDerWaalsContact CD1-CD1 3.42Å; L722-L726 HydrophobicContact CD1-CG 3.98Å; L726-L728 HydrophobicContact CB-CD1 4.02Å; L726-L728 HydrophobicContact CB-CD2 4.13Å; L726-L728 HydrophobicContact CB-CG 3.79Å; L726-L728 HydrophobicContact CD1-CD1 4.25Å; L726-L728 HydrophobicContact CD1-CD2 4.35Å; L726-V753 PolarHBondContact N-O 2.92Å; L726-V753 PolarHBondContact O-N 3.02Å
727	E	97.1	Very high	97.2	Very high	88 Å²	88	28.2 Å²	28.2	41%	0.411	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	110.9	168	-175.5	159.2	-158.7	0	0	109	P750 E790	E727-P750 HydrophobicContact CG-CB 3.79Å; E727-E790 HydrophobicContact CG-CG 4.43Å
728	L	97.8	Very high	97.1	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	153.6	-170.5	-64.3	175.5	0	0	0	110.8	V702 L726 P750 L751 V753 I761 L787 Q788 H795	V702-L728 HydrophobicContact CG1-CD1 4.01Å; L726-L728 HydrophobicContact CB-CD1 4.02Å; L726-L728 HydrophobicContact CB-CD2 4.13Å; L726-L728 HydrophobicContact CB-CG 3.79Å; L726-L728 HydrophobicContact CD1-CD1 4.25Å; L726-L728 HydrophobicContact CD1-CD2 4.35Å; L728-P750 CarbonylContact O-C 3.6Å; L728-P750 VanDerWaalsContact O-CA 3.26Å; L728-P750 WeakPolarHBondContact O-CA 3.03Å; L728-L751 PolarHBondContact N-O 3.38Å; L728-L751 PolarHBondContact O-N 3.19Å; L728-V753 HydrophobicContact CB-CG2 4.28Å; L728-V753 HydrophobicContact CD1-CB 4.37Å; L728-V753 HydrophobicContact CD1-CG2 4.19Å; L728-I761 VanDerWaalsContact C-CD1 3.43Å; L728-I761 HydrophobicContact CB-CD1 3.6Å; L728-I761 WeakPolarHBondContact O-CD1 3.46Å; L728-L787 HydrophobicContact CD1-CB 4.44Å; L728-L787 HydrophobicContact CD1-CD1 4.13Å; L728-Q788 CarbonylContact C-O 3.53Å; L728-Q788 WeakPolarHBondContact CA-O 3.26Å; L728-H795 HydrophobicContact CD2-CB 4.34Å
729	R	97.6	Very high	96.7	Very high	57 Å²	57	33.3 Å²	33.3	22%	0.215	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	148.2	164.5	65.8	-170.9	77.7	-170.4	0.1	110	T747 S748 L787 Q788	R729-T747 HydrophobicContact CB-CG2 4.47Å; R729-T747 HydrophobicContact CG-CG2 3.94Å; R729-S748 WeakPolarHBondContact CA-OG 3.38Å; R729-S748 WeakPolarHBondContact CB-O 2.99Å; R729-S748 WeakPolarHBondContact CB-OG 3.2Å; R729-L787 WeakPolarHBondContact O-CA 3.46Å; R729-Q788 HydrophobicContact CG-CG 3.62Å; R729-Q788 PolarHBondContact N-O 2.98Å; R729-Q788 PolarHBondContact O-N 2.86Å
730	A	98.2	Very high	96.5	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	135.1	170	0	0	0	0	0	110.4	V716 T747 S748 I761 H786 L787	V716-A730 HydrophobicContact CG1-CB 4.42Å; A730-T747 WeakPolarHBondContact O-CA 3.4Å; A730-S748 PolarHBondContact N-OG 2.88Å; A730-S748 PolarHBondContact O-N 3.22Å; A730-I761 HydrophobicContact CB-CG2 3.66Å; A730-H786 WeakPolarHBondContact CA-O 3.27Å; A730-L787 HydrophobicContact CB-CD2 4.24Å
731	V	98.3	Very high	96.2	Very high	10 Å²	10	38.6 Å²	38.6	6%	0.061	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	113	166.9	-178.1	0	0	0	0	106.9	T745 L746 T747 F785 H786 Q788	V731-T745 HydrophobicContact CG1-CG2 3.45Å; V731-T745 VanDerWaalsContact CG1-CG2 3.45Å; V731-L746 CarbonylContact C-O 3.59Å; V731-L746 WeakPolarHBondContact CA-O 3.1Å; V731-T747 HydrophobicContact CG2-CG2 4.31Å; V731-F785 WeakPolarHBondContact O-CA 3.48Å; V731-F785 WeakPolarHBondContact O-CB 3.26Å; V731-H786 VanDerWaalsContact CB-CE1 3.45Å; V731-H786 WeakPolarHBondContact CB-CE1 3.32Å; V731-H786 PolarHBondContact N-O 3.18Å; V731-H786 PolarHBondContact O-N 3.18Å; V731-H786 VanDerWaalsContact O-N 3.1Å; V731-Q788 HydrophobicContact CG2-CG 3.81Å
732	V	98.2	Very high	96.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	117.1	180	-176.7	0	0	0	0	108.3	L714 V716 T745 L746 Y762 L769 F785	L714-V732 HydrophobicContact CD2-CG1 4.4Å; V716-V732 HydrophobicContact CG2-CG2 4.34Å; V732-T745 CarbonylContact O-C 3.49Å; V732-T745 WeakPolarHBondContact O-CA 2.99Å; V732-L746 PolarHBondContact N-O 2.82Å; V732-L746 PolarHBondContact O-N 2.94Å; V732-Y762 HydrophobicContact CG2-CD1 4.09Å; V732-Y762 HydrophobicContact CG2-CD2 4.12Å; V732-Y762 HydrophobicContact CG2-CE1 4.08Å; V732-Y762 HydrophobicContact CG2-CE2 4.12Å; V732-Y762 HydrophobicContact CG2-CG 4.1Å; V732-L769 HydrophobicContact CG1-CD1 4.48Å; V732-F785 HydrophobicContact CG2-CB 4.19Å
733	T	97.9	Very high	96	Very high	11 Å²	11	41.3 Å²	41.3	7%	0.067	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	130.4	-179.8	-56.7	0	0	0	0	109.9	Y735 T745 T784	T733-Y735 HydrophobicContact CG2-CD2 3.96Å; T733-Y735 HydrophobicContact CG2-CE1 4.48Å; T733-Y735 HydrophobicContact CG2-CE2 3.29Å; T733-T745 PolarHBondContact OG1-OG1 2.77Å; T733-T784 PolarHBondContact N-O 2.97Å; T733-T784 PolarHBondContact O-N 3.37Å
734	V	97.8	Very high	96.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	128.2	178.2	-172.8	0	0	0	0	108.7	V743 C744 L769 C773 C776 C781 L783	V734-V743 HydrophobicContact CB-CB 4.46Å; V734-V743 HydrophobicContact CG1-CB 4.43Å; V734-V743 PolarHBondContact O-N 2.81Å; V734-C744 WeakPolarHBondContact CG2-SG 3.45Å; V734-C744 PolarHBondContact N-O 2.87Å; V734-L769 HydrophobicContact CG2-CD2 3.72Å; V734-C773 HydrophobicContact CG2-CB 4.23Å; V734-C776 HydrophobicContact CG1-CB 4.37Å; V734-C776 WeakPolarHBondContact CG1-SG 3.33Å; V734-C781 HydrophobicContact CG1-CB 3.99Å; V734-L783 HydrophobicContact CB-CD2 4.28Å; V734-L783 HydrophobicContact CG1-CD2 4.19Å; V734-L783 HydrophobicContact CG2-CD2 3.66Å
735	Y	97.1	Very high	96.2	Very high	33 Å²	33	36.9 Å²	36.9	13%	0.129	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	141.8	174.2	-70	-89.1	0	0	0	110	T733 L740 C781 L782 T784 V860	T733-Y735 HydrophobicContact CG2-CD2 3.96Å; T733-Y735 HydrophobicContact CG2-CE1 4.48Å; T733-Y735 HydrophobicContact CG2-CE2 3.29Å; Y735-L740 WeakPolarHBondContact CE1-O 3.43Å; Y735-C781 CarbonylContact O-C 3.57Å; Y735-C781 WeakPolarHBondContact O-CA 3.45Å; Y735-C781 WeakPolarHBondContact O-CB 3.47Å; Y735-L782 HydrophobicContact CD2-CD1 4.27Å; Y735-L782 PolarHBondContact N-O 3.09Å; Y735-L782 PolarHBondContact O-N 3.37Å; Y735-T784 HydrophobicContact CD2-CG2 4.08Å; Y735-T784 HydrophobicContact CE2-CG2 4.05Å; Y735-T784 WeakPolarHBondContact CE2-OG1 3.12Å; Y735-V860 HydrophobicContact CD1-CB 4.15Å; Y735-V860 HydrophobicContact CD1-CG1 4.33Å; Y735-V860 HydrophobicContact CD2-CB 4.37Å; Y735-V860 HydrophobicContact CD2-CG1 4.08Å; Y735-V860 HydrophobicContact CE1-CB 3.98Å; Y735-V860 HydrophobicContact CE1-CG2 4.39Å; Y735-V860 HydrophobicContact CE2-CB 4.2Å; Y735-V860 HydrophobicContact CE2-CG1 4.35Å; Y735-V860 HydrophobicContact CE2-CG2 4.04Å; Y735-V860 HydrophobicContact CG-CB 4.33Å; Y735-V860 HydrophobicContact CG-CG1 4.06Å
736	S	96	Very high	96.1	Very high	24 Å²	24	35.5 Å²	35.5	17%	0.168	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	145.7	162.7	-178.2	0	0	0	0	109.2	A738 D739 T780	S736-A738 PolarHBondContact O-N 2.91Å; S736-A738 PolarHBondContact OG-N 2.73Å; S736-D739 PolarHBondContact O-N 2.89Å; S736-T780 WeakPolarHBondContact CA-O 3.49Å; S736-T780 PolarHBondContact OG-O 3.33Å
737	W	96.6	Very high	96.1	Very high	1 Å²	1	37.8 Å²	37.8	0%	0.004	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-22	171.1	-69.1	119.2	0	0	0	113.7	T780 L782 F802 A809 G811 L812 V837 P839	W737-T780 PolarHBondContact N-O 2.82Å; W737-L782 HydrophobicContact CD2-CD2 3.92Å; W737-L782 HydrophobicContact CE3-CD2 3.52Å; W737-L782 HydrophobicContact CH2-CB 4.3Å; W737-L782 HydrophobicContact CH2-CD2 3.43Å; W737-L782 VanDerWaalsContact CH2-CD2 3.43Å; W737-L782 HydrophobicContact CZ2-CB 3.87Å; W737-L782 HydrophobicContact CZ2-CD2 3.77Å; W737-L782 HydrophobicContact CZ2-CG 4.46Å; W737-L782 HydrophobicContact CZ3-CD2 3.27Å; W737-F802 AromaticContact CH2-CD1 3.83Å; W737-F802 HydrophobicContact CH2-CD1 3.83Å; W737-F802 AromaticContact CH2-CE1 3.49Å; W737-F802 HydrophobicContact CH2-CE1 3.49Å; W737-F802 VanDerWaalsContact CH2-CE1 3.49Å; W737-F802 AromaticContact CZ2-CD1 3.87Å; W737-F802 HydrophobicContact CZ2-CD1 3.87Å; W737-F802 HydrophobicContact CZ2-CE1 4.04Å; W737-A809 HydrophobicContact CD2-CB 4.48Å; W737-A809 HydrophobicContact CG-CB 4.48Å; W737-A809 HydrophobicContact CZ2-CB 4.4Å; W737-G811 CarbonylContact C-O 3.45Å; W737-G811 VanDerWaalsContact C-O 3.29Å; W737-L812 HydrophobicContact CB-CB 4.23Å; W737-L812 HydrophobicContact CE3-CB 4.49Å; W737-L812 HydrophobicContact CE3-CD1 3.7Å; W737-L812 HydrophobicContact CG-CB 4.42Å; W737-L812 HydrophobicContact CZ3-CD1 4.01Å; W737-V837 HydrophobicContact CE3-CB 4.42Å; W737-V837 HydrophobicContact CE3-CG1 3.81Å; W737-V837 HydrophobicContact CZ3-CG1 3.87Å; W737-P839 HydrophobicContact CZ3-CB 4.37Å; W737-P839 HydrophobicContact CZ3-CG 4.14Å
738	A	94.6	Very high	96.1	Very high	46 Å²	46	34.4 Å²	34.4	38%	0.38	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-13.9	-175.7	0	0	0	0	0	114.3	S736 G811	S736-A738 PolarHBondContact O-N 2.91Å; S736-A738 PolarHBondContact OG-N 2.73Å; A738-G811 WeakPolarHBondContact CA-O 3.39Å; A738-G811 PolarHBondContact N-O 2.86Å
739	D	91.4	Very high	95.9	Very high	78 Å²	78	38.8 Å²	38.8	42%	0.417	23%	0.232	S	C	.	.			trans	-139.8	148.4	-173.5	-153.4	-33.1	0	0	0	111.7	S736 D741 V837	S736-D739 PolarHBondContact O-N 2.89Å; D739-D741 PolarHBondContact OD1-N 2.76Å; D739-V837 WeakPolarHBondContact O-CG2 3.31Å
740	L	93.4	Very high	95.7	Very high	14 Å²	14	38 Å²	38	7%	0.073	23%	0.234	C	C	.	.	S	Bend	trans	-87.1	-17.2	173.9	-70.7	171.2	0	0	0	112.3	Y735 S834 V837 V860 R862	Y735-L740 WeakPolarHBondContact CE1-O 3.43Å; L740-S834 WeakPolarHBondContact CD1-O 3.49Å; L740-V837 HydrophobicContact CD2-CG2 3.97Å; L740-V860 WeakPolarHBondContact CD2-O 3.47Å; L740-R862 HydrophobicContact CD1-CB 4.38Å; L740-R862 HydrophobicContact CD1-CG 3.54Å
741	D	93.4	Very high	95.6	Very high	98 Å²	98	41.9 Å²	41.9	52%	0.524	25%	0.254	S	S	.	.	S	Bend	trans	-76	137.1	172.6	-65.3	-23.6	0	0	0	109.5	D739	D739-D741 PolarHBondContact OD1-N 2.76Å
742	S	94.4	Very high	95.6	Very high	58 Å²	58	46.8 Å²	46.8	41%	0.406	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	140.5	178.9	59.9	0	0	0	0	110.8
743	V	95.5	Very high	95.5	Very high	55 Å²	55	47.3 Å²	47.3	33%	0.333	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	-43	175.5	177.2	0	0	0	0	109.9	V734 C773 G774	V734-V743 HydrophobicContact CB-CB 4.46Å; V734-V743 HydrophobicContact CG1-CB 4.43Å; V734-V743 PolarHBondContact O-N 2.81Å; V743-C773 HydrophobicContact CG1-CB 4.35Å; V743-G774 WeakPolarHBondContact CG1-O 3.45Å
744	C	95.7	Very high	95.5	Very high	23 Å²	23	49.4 Å²	49.4	16%	0.155	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	163.5	175.5	75.4	0	0	0	0	110	V734 C773	V734-C744 WeakPolarHBondContact CG2-SG 3.45Å; V734-C744 PolarHBondContact N-O 2.87Å; C744-C773 HydrophobicContact CB-CB 3.74Å; C744-C773 WeakPolarHBondContact CB-SG 3.18Å; C744-C773 WeakPolarHBondContact SG-CB 3.2Å; C744-C773 CovalentContact SG-SG 2.01Å; C744-C773 PolarHBondContact SG-SG 3.2Å
745	T	96.4	Very high	95.4	Very high	72 Å²	72	50.6 Å²	50.6	44%	0.442	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	129.8	167.4	-61.7	0	0	0	0	108.5	V731 V732 T733	V731-T745 HydrophobicContact CG1-CG2 3.45Å; V731-T745 VanDerWaalsContact CG1-CG2 3.45Å; V732-T745 CarbonylContact O-C 3.49Å; V732-T745 WeakPolarHBondContact O-CA 2.99Å; T733-T745 PolarHBondContact OG1-OG1 2.77Å
746	L	95.6	Very high	95.4	Very high	50 Å²	50	50.3 Å²	50.3	26%	0.262	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	140.4	177.6	-57.8	174.8	0	0	0	108.8	V731 V732 Y762 L769	V731-L746 CarbonylContact C-O 3.59Å; V731-L746 WeakPolarHBondContact CA-O 3.1Å; V732-L746 PolarHBondContact N-O 2.82Å; V732-L746 PolarHBondContact O-N 2.94Å; L746-Y762 WeakPolarHBondContact CD1-OH 2.99Å; L746-L769 HydrophobicContact CD1-CD1 4.49Å; L746-L769 HydrophobicContact CD1-CG 3.96Å
747	T	95.7	Very high	95.5	Very high	75 Å²	75	50.3 Å²	50.3	46%	0.46	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	129.5	-179.7	-55	0	0	0	0	109	R729 A730 V731	R729-T747 HydrophobicContact CB-CG2 4.47Å; R729-T747 HydrophobicContact CG-CG2 3.94Å; A730-T747 WeakPolarHBondContact O-CA 3.4Å; V731-T747 HydrophobicContact CG2-CG2 4.31Å
748	S	96.3	Very high	95.5	Very high	16 Å²	16	50.9 Å²	50.9	11%	0.112	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-71.7	163.6	173.9	76.8	0	0	0	0	111.3	R729 A730 I761	R729-S748 WeakPolarHBondContact CA-OG 3.38Å; R729-S748 WeakPolarHBondContact CB-O 2.99Å; R729-S748 WeakPolarHBondContact CB-OG 3.2Å; A730-S748 PolarHBondContact N-OG 2.88Å; A730-S748 PolarHBondContact O-N 3.22Å; S748-I761 WeakPolarHBondContact CB-O 3.29Å; S748-I761 PolarHBondContact OG-O 2.98Å
749	S	94.2	Very high	95.6	Very high	94 Å²	94	50 Å²	50	66%	0.657	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-61.4	148.5	159.7	-60.2	0	0	0	0	109.9
750	P	93.9	Very high	95.9	Very high	39 Å²	39	49.4 Å²	49.4	25%	0.253	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-63	144.8	170.3	28	-33.5	0	0	0	110.8	E727 L728	E727-P750 HydrophobicContact CG-CB 3.79Å; L728-P750 CarbonylContact O-C 3.6Å; L728-P750 VanDerWaalsContact O-CA 3.26Å; L728-P750 WeakPolarHBondContact O-CA 3.03Å
751	L	96.1	Very high	96.1	Very high	83 Å²	83	49.1 Å²	49.1	44%	0.435	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	141.4	176.6	-74.5	167.7	0	0	0	109.3	L728 V753 I761	L728-L751 PolarHBondContact N-O 3.38Å; L728-L751 PolarHBondContact O-N 3.19Å; L751-V753 PolarHBondContact O-N 3.2Å; L751-I761 HydrophobicContact CB-CG1 4.17Å; L751-I761 HydrophobicContact CD1-CG1 4.06Å
752	L	96.8	Very high	96.3	Very high	113 Å²	113	45.3 Å²	45.3	59%	0.592	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	120	173.7	-170.8	70.6	0	0	0	110	D725	D725-L752 HydrophobicContact CB-CD1 3.76Å; D725-L752 HydrophobicContact CB-CG 4.23Å
753	V	96.8	Very high	96.4	Very high	11 Å²	11	49 Å²	49	7%	0.067	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	113.3	175.2	-177.8	0	0	0	0	108	A718 D725 L726 L728 L751 I761	A718-V753 HydrophobicContact CB-CG1 4.12Å; A718-V753 HydrophobicContact CB-CG2 3.76Å; D725-V753 WeakPolarHBondContact CA-O 3.35Å; L726-V753 PolarHBondContact N-O 2.92Å; L726-V753 PolarHBondContact O-N 3.02Å; L728-V753 HydrophobicContact CB-CG2 4.28Å; L728-V753 HydrophobicContact CD1-CB 4.37Å; L728-V753 HydrophobicContact CD1-CG2 4.19Å; L751-V753 PolarHBondContact O-N 3.2Å; V753-I761 HydrophobicContact CG2-CD1 4.14Å
754	S	97.1	Very high	96.4	Very high	54 Å²	54	49.3 Å²	49.3	38%	0.378	30%	0.3	S	S	.	.			trans	-67.5	144.8	-177.9	-62.5	0	0	0	0	112.5	D725 G756 S757	D725-S754 WeakPolarHBondContact OD1-CA 3.35Å; S754-G756 PolarHBondContact O-N 2.76Å; S754-S757 PolarHBondContact N-OG 2.68Å; S754-S757 WeakPolarHBondContact O-CB 3.33Å; S754-S757 PolarHBondContact O-N 2.76Å; S754-S757 PolarHBondContact O-OG 2.91Å
755	G	96.3	Very high	96.5	Very high	26 Å²	26	50.5 Å²	50.5	27%	0.268	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	134.2	174	0	0	0	0	0	111.8	L722 H724 D725 S757	L722-G755 CarbonylContact O-C 3.54Å; L722-G755 VanDerWaalsContact O-C 3.25Å; L722-G755 WeakPolarHBondContact O-CA 3.36Å; H724-G755 VanDerWaalsContact O-CA 3.3Å; H724-G755 WeakPolarHBondContact O-CA 3.3Å; D725-G755 PolarHBondContact OD1-N 3.44Å; G755-S757 VanDerWaalsContact C-N 3.31Å; G755-S757 PolarHBondContact O-N 2.76Å
756	G	96.6	Very high	96.4	Very high	26 Å²	26	47.1 Å²	47.1	27%	0.268	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	75	15.9	179.8	0	0	0	0	0	114.9	R652 S720 L722 S754	R652-G756 VanDerWaalsContact CZ-O 3.24Å; R652-G756 PolarHBondContact NE-O 3.19Å; R652-G756 VanDerWaalsContact NE-O 3.16Å; R652-G756 PolarHBondContact NH2-O 3.31Å; R652-G756 VanDerWaalsContact NH2-O 3.11Å; S720-G756 CarbonylContact O-C 3.58Å; S720-G756 VanDerWaalsContact O-C 3.26Å; S720-G756 WeakPolarHBondContact O-CA 3.49Å; S720-G756 PolarHBondContact O-N 3.38Å; L722-G756 PolarHBondContact O-N 2.81Å; S754-G756 PolarHBondContact O-N 2.76Å
757	S	97.9	Very high	96.4	Very high	25 Å²	25	48 Å²	48	18%	0.175	30%	0.303	C	S	.	.			trans	-122.9	174.9	-176.9	79.1	0	0	0	0	113.3	S653 S720 S754 G755	S653-S757 VanDerWaalsContact OG-CA 3.29Å; S653-S757 WeakPolarHBondContact OG-CA 3.33Å; S653-S757 WeakPolarHBondContact OG-CB 3.21Å; S720-S757 PolarHBondContact N-O 2.66Å; S720-S757 PolarHBondContact O-N 2.63Å; S754-S757 PolarHBondContact N-OG 2.68Å; S754-S757 WeakPolarHBondContact O-CB 3.33Å; S754-S757 PolarHBondContact O-N 2.76Å; S754-S757 PolarHBondContact O-OG 2.91Å; G755-S757 VanDerWaalsContact C-N 3.31Å; G755-S757 PolarHBondContact O-N 2.76Å
758	A	98.3	Very high	96.3	Very high	13 Å²	13	46.9 Å²	46.9	11%	0.107	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	143.2	166.5	0	0	0	0	0	110.8	R652 S653 A718 V719	R652-A758 HydrophobicContact CG-CB 3.74Å; S653-A758 WeakPolarHBondContact CB-O 3.35Å; S653-A758 PolarHBondContact OG-N 3.05Å; A718-A758 VanDerWaalsContact O-CA 3.28Å; A718-A758 WeakPolarHBondContact O-CA 3.36Å; V719-A758 HydrophobicContact CB-CB 4.43Å; V719-A758 HydrophobicContact CG1-CB 4.42Å; V719-A758 HydrophobicContact CG2-CB 3.94Å
759	G	96.6	Very high	96.3	Very high	28 Å²	28	46.2 Å²	46.2	29%	0.289	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	156	178.7	0	0	0	0	0	113.7	Y717 A718 I761	Y717-G759 CarbonylContact C-O 3.52Å; Y717-G759 WeakPolarHBondContact CA-O 3.29Å; A718-G759 PolarHBondContact N-O 3.22Å; A718-G759 PolarHBondContact O-N 3.24Å; G759-I761 PolarHBondContact O-N 2.81Å
760	V	97.3	Very high	96.3	Very high	65 Å²	65	42.5 Å²	42.5	39%	0.394	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	126.2	177.7	-169.6	0	0	0	0	109.9	L715 Y717 Y762 K763	L715-V760 HydrophobicContact CD2-CG1 3.88Å; Y717-V760 HydrophobicContact CD2-CG2 4.03Å; Y717-V760 HydrophobicContact CE1-CG2 4.03Å; Y717-V760 HydrophobicContact CE2-CB 4.48Å; Y717-V760 HydrophobicContact CE2-CG2 3.49Å; Y717-V760 VanDerWaalsContact CE2-CG2 3.49Å; Y717-V760 VanDerWaalsContact CZ-CG2 3.49Å; V760-Y762 WeakPolarHBondContact CG1-O 3.29Å; V760-K763 HydrophobicContact CG1-CB 4.43Å
761	I	97.1	Very high	96.2	Very high	8 Å²	8	44.7 Å²	44.7	4%	0.041	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	-21.2	178.9	-157.4	164	0	0	0	113.2	V716 A718 L728 A730 S748 L751 V753 G759 L787	V716-I761 HydrophobicContact CB-CG2 4.36Å; V716-I761 HydrophobicContact CG1-CG2 4.29Å; V716-I761 WeakPolarHBondContact O-CG2 3.44Å; V716-I761 PolarHBondContact O-N 3.27Å; A718-I761 HydrophobicContact CB-CB 4.43Å; A718-I761 HydrophobicContact CB-CD1 4.16Å; A718-I761 HydrophobicContact CB-CG2 4.41Å; L728-I761 VanDerWaalsContact C-CD1 3.43Å; L728-I761 HydrophobicContact CB-CD1 3.6Å; L728-I761 WeakPolarHBondContact O-CD1 3.46Å; A730-I761 HydrophobicContact CB-CG2 3.66Å; S748-I761 WeakPolarHBondContact CB-O 3.29Å; S748-I761 PolarHBondContact OG-O 2.98Å; L751-I761 HydrophobicContact CB-CG1 4.17Å; L751-I761 HydrophobicContact CD1-CG1 4.06Å; V753-I761 HydrophobicContact CG2-CD1 4.14Å; G759-I761 PolarHBondContact O-N 2.81Å; I761-L787 HydrophobicContact CD1-CD2 4.17Å; I761-L787 HydrophobicContact CG2-CD2 3.96Å
762	Y	97.6	Very high	95.9	Very high	17 Å²	17	43.8 Å²	43.8	7%	0.067	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	138.5	175.4	178.7	-86.4	0	0	0	110	L714 L715 V716 V732 L746 V760 Q764 L769	L714-Y762 HydrophobicContact CD2-CD1 4.43Å; L714-Y762 HydrophobicContact CD2-CE1 3.96Å; L714-Y762 HydrophobicContact CG-CE1 4.47Å; L715-Y762 WeakPolarHBondContact CA-O 3.17Å; V716-Y762 HydrophobicContact CG2-CD1 4.04Å; V716-Y762 HydrophobicContact CG2-CG 4.44Å; V716-Y762 PolarHBondContact N-O 2.87Å; V716-Y762 PolarHBondContact O-N 3.1Å; V732-Y762 HydrophobicContact CG2-CD1 4.09Å; V732-Y762 HydrophobicContact CG2-CD2 4.12Å; V732-Y762 HydrophobicContact CG2-CE1 4.08Å; V732-Y762 HydrophobicContact CG2-CE2 4.12Å; V732-Y762 HydrophobicContact CG2-CG 4.1Å; L746-Y762 WeakPolarHBondContact CD1-OH 2.99Å; V760-Y762 WeakPolarHBondContact CG1-O 3.29Å; Y762-Q764 HydrophobicContact CE1-CB 3.75Å; Y762-Q764 PolarHBondContact OH-OE1 3.29Å; Y762-L769 HydrophobicContact CE1-CD1 4.28Å; Y762-L769 WeakPolarHBondContact OH-CD1 3.42Å
763	K	96.6	Very high	95.4	Very high	136 Å²	136	38.5 Å²	38.5	59%	0.591	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.8	121.2	178	-179.6	172.1	-175.8	171.3	0	109.4	T713 L714 L715 V760	T713-K763 HydrophobicContact CG2-CD 4.3Å; T713-K763 HydrophobicContact CG2-CG 3.55Å; L714-K763 WeakPolarHBondContact O-CA 3.02Å; L715-K763 HydrophobicContact CD2-CB 3.9Å; L715-K763 HydrophobicContact CD2-CD 3.83Å; L715-K763 HydrophobicContact CD2-CG 3.64Å; V760-K763 HydrophobicContact CG1-CB 4.43Å
764	Q	96.3	Very high	94.6	Very high	61 Å²	61	40.1 Å²	40.1	29%	0.285	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	138.6	174.5	-169.7	167.5	-10.2	0	0	111.2	L714 Y762 V766 L769	L714-Q764 PolarHBondContact N-O 2.79Å; L714-Q764 PolarHBondContact O-N 3.47Å; Y762-Q764 HydrophobicContact CE1-CB 3.75Å; Y762-Q764 PolarHBondContact OH-OE1 3.29Å; Q764-V766 PolarHBondContact O-N 3Å; Q764-L769 HydrophobicContact CG-CB 4.2Å
765	S	96.4	Very high	93.9	Very high	48 Å²	48	46.9 Å²	46.9	34%	0.336	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	131.3	170.3	169.3	0	0	0	0	109.9	A767 A768 L769	S765-A767 PolarHBondContact O-N 2.95Å; S765-A767 PolarHBondContact OG-N 3.36Å; S765-A768 PolarHBondContact O-N 2.74Å; S765-A768 VanDerWaalsContact O-N 3.1Å; S765-L769 WeakPolarHBondContact O-CB 3.18Å; S765-L769 PolarHBondContact O-N 3.14Å
766	V	96.1	Very high	93.6	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.012	31%	0.309	C	S	.	.	H	α-helix	trans	-58.6	-41	178.8	171.6	0	0	0	0	110.4	E708 D712 L714 Q764 A768 L769 L770 R778 L803	E708-V766 HydrophobicContact CG-CG2 4.13Å; D712-V766 WeakPolarHBondContact O-CB 3.23Å; D712-V766 VanDerWaalsContact O-CG2 3.28Å; D712-V766 WeakPolarHBondContact O-CG2 3.46Å; D712-V766 PolarHBondContact O-N 3.36Å; L714-V766 HydrophobicContact CB-CG2 4.06Å; Q764-V766 PolarHBondContact O-N 3Å; V766-A768 VanDerWaalsContact C-N 3.34Å; V766-A768 PolarHBondContact O-N 3.45Å; V766-L769 PolarHBondContact O-N 2.82Å; V766-L770 HydrophobicContact CG1-CD1 3.71Å; V766-L770 HydrophobicContact CG1-CG 4.13Å; V766-L770 WeakPolarHBondContact O-CB 3.46Å; V766-L770 VanDerWaalsContact O-CG 3.26Å; V766-L770 WeakPolarHBondContact O-CG 3.29Å; V766-L770 PolarHBondContact O-N 2.81Å; V766-R778 HydrophobicContact CG1-CG 4.49Å; V766-L803 HydrophobicContact CG1-CD2 3.83Å; V766-L803 HydrophobicContact CG2-CD2 4.47Å
767	A	94.3	Very high	93.6	Very high	69 Å²	69	48.3 Å²	48.3	57%	0.57	32%	0.316	S	S	*	.	H	α-helix	trans	-59.8	-43.8	176.6	0	0	0	0	0	112.2	S765 A771	S765-A767 PolarHBondContact O-N 2.95Å; S765-A767 PolarHBondContact OG-N 3.36Å; A767-A771 VanDerWaalsContact O-CB 3.24Å; A767-A771 WeakPolarHBondContact O-CB 3.44Å; A767-A771 PolarHBondContact O-N 3.21Å
768	A	94	Very high	93.5	Very high	50 Å²	50	50.6 Å²	50.6	41%	0.413	32%	0.321	S	S	.	.	H	α-helix	trans	-69.2	-38.9	177.7	0	0	0	0	0	112.4	S765 V766 G772	S765-A768 PolarHBondContact O-N 2.74Å; S765-A768 VanDerWaalsContact O-N 3.1Å; V766-A768 VanDerWaalsContact C-N 3.34Å; V766-A768 PolarHBondContact O-N 3.45Å; A768-G772 PolarHBondContact O-N 2.7Å
769	L	95.2	Very high	93.5	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.01	34%	0.335	C	S	.	.	H	α-helix	trans	-59.8	-51.7	175.4	-176	162.1	0	0	0	110.5	L714 V732 V734 L746 Y762 Q764 S765 V766 G772 C773 L783	L714-L769 HydrophobicContact CD2-CD1 3.71Å; V732-L769 HydrophobicContact CG1-CD1 4.48Å; V734-L769 HydrophobicContact CG2-CD2 3.72Å; L746-L769 HydrophobicContact CD1-CD1 4.49Å; L746-L769 HydrophobicContact CD1-CG 3.96Å; Y762-L769 HydrophobicContact CE1-CD1 4.28Å; Y762-L769 WeakPolarHBondContact OH-CD1 3.42Å; Q764-L769 HydrophobicContact CG-CB 4.2Å; S765-L769 WeakPolarHBondContact O-CB 3.18Å; S765-L769 PolarHBondContact O-N 3.14Å; V766-L769 PolarHBondContact O-N 2.82Å; L769-G772 PolarHBondContact O-N 3.25Å; L769-C773 WeakPolarHBondContact O-CB 3.42Å; L769-C773 PolarHBondContact O-N 3.29Å; L769-C773 VanDerWaalsContact O-N 3.07Å; L769-C773 PolarHBondContact O-SG 3.05Å; L769-L783 HydrophobicContact CD2-CD2 4.1Å
770	L	94.8	Very high	93.5	Very high	17 Å²	17	53.9 Å²	53.9	9%	0.089	33%	0.331	C	S	.	.	H	α-helix	trans	-67.7	-36.8	-179.5	-62.1	174.8	0	0	0	112.3	V766 G772 C773 C776 R778 L803	V766-L770 HydrophobicContact CG1-CD1 3.71Å; V766-L770 HydrophobicContact CG1-CG 4.13Å; V766-L770 WeakPolarHBondContact O-CB 3.46Å; V766-L770 VanDerWaalsContact O-CG 3.26Å; V766-L770 WeakPolarHBondContact O-CG 3.29Å; V766-L770 PolarHBondContact O-N 2.81Å; L770-G772 VanDerWaalsContact C-N 3.29Å; L770-G772 PolarHBondContact O-N 2.96Å; L770-C773 CarbonylContact O-C 3.53Å; L770-C773 VanDerWaalsContact O-C 3.31Å; L770-C773 PolarHBondContact O-N 3.43Å; L770-C776 HydrophobicContact CD2-CB 3.85Å; L770-R778 HydrophobicContact CD1-CG 4.16Å; L770-L803 HydrophobicContact CD1-CD1 4.39Å; L770-L803 HydrophobicContact CD2-CD1 3.73Å
771	A	91.9	Very high	93.5	Very high	85 Å²	85	50.9 Å²	50.9	70%	0.702	31%	0.312	S	S	*	.	H	α-helix	trans	-64.5	-34.6	174.1	0	0	0	0	0	112.4	A767 C773	A767-A771 VanDerWaalsContact O-CB 3.24Å; A767-A771 WeakPolarHBondContact O-CB 3.44Å; A767-A771 PolarHBondContact O-N 3.21Å; A771-C773 VanDerWaalsContact C-N 3.33Å
772	G	90.6	Very high	93.5	Very high	64 Å²	64	50.5 Å²	50.5	66%	0.66	31%	0.311	S	S	*	.	H	α-helix	trans	-73.2	-23.9	174.5	0	0	0	0	0	113.8	A768 L769 L770	A768-G772 PolarHBondContact O-N 2.7Å; L769-G772 PolarHBondContact O-N 3.25Å; L770-G772 VanDerWaalsContact C-N 3.29Å; L770-G772 PolarHBondContact O-N 2.96Å
773	C	86	Confident	93.5	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.007	31%	0.307	C	S	.	.	S	Bend	trans	-109.3	76.2	-179.5	-64	0	0	0	0	109.9	V734 V743 C744 L769 L770 A771 C776	V734-C773 HydrophobicContact CG2-CB 4.23Å; V743-C773 HydrophobicContact CG1-CB 4.35Å; C744-C773 HydrophobicContact CB-CB 3.74Å; C744-C773 WeakPolarHBondContact CB-SG 3.18Å; C744-C773 WeakPolarHBondContact SG-CB 3.2Å; C744-C773 CovalentContact SG-SG 2.01Å; C744-C773 PolarHBondContact SG-SG 3.2Å; L769-C773 WeakPolarHBondContact O-CB 3.42Å; L769-C773 PolarHBondContact O-N 3.29Å; L769-C773 VanDerWaalsContact O-N 3.07Å; L769-C773 PolarHBondContact O-SG 3.05Å; L770-C773 CarbonylContact O-C 3.53Å; L770-C773 VanDerWaalsContact O-C 3.31Å; L770-C773 PolarHBondContact O-N 3.43Å; A771-C773 VanDerWaalsContact C-N 3.33Å; C773-C776 WeakPolarHBondContact O-CB 3.27Å; C773-C776 PolarHBondContact O-N 3.11Å
774	G	79.6	Confident	93.6	Very high	45 Å²	45	43.8 Å²	43.8	46%	0.464	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.5	148.6	-168.4	0	0	0	0	0	115.8	V743 C776	V743-G774 WeakPolarHBondContact CG1-O 3.45Å; G774-C776 VanDerWaalsContact C-N 3.27Å; G774-C776 PolarHBondContact O-N 2.66Å
775	H	82.1	Confident	93.7	Very high	196 Å²	196	40.9 Å²	40.9	91%	0.907	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	17.5	-175.6	-57.6	-70.9	0	0	0	116.2
776	C	90.9	Very high	93.8	Very high	14 Å²	14	40.1 Å²	40.1	10%	0.095	26%	0.26	C	S	.	.			trans	-103.9	145	171.3	-85.6	0	0	0	0	114.7	V734 L770 C773 G774 C781	V734-C776 HydrophobicContact CG1-CB 4.37Å; V734-C776 WeakPolarHBondContact CG1-SG 3.33Å; L770-C776 HydrophobicContact CD2-CB 3.85Å; C773-C776 WeakPolarHBondContact O-CB 3.27Å; C773-C776 PolarHBondContact O-N 3.11Å; G774-C776 VanDerWaalsContact C-N 3.27Å; G774-C776 PolarHBondContact O-N 2.66Å; C776-C781 WeakPolarHBondContact CA-SG 3.46Å; C776-C781 HydrophobicContact CB-CB 3.78Å; C776-C781 WeakPolarHBondContact CB-SG 3.47Å; C776-C781 WeakPolarHBondContact SG-CB 3.28Å; C776-C781 CovalentContact SG-SG 2.04Å; C776-C781 PolarHBondContact SG-SG 3.09Å
777	T	95.4	Very high	93.9	Very high	69 Å²	69	40 Å²	40	42%	0.423	26%	0.26	S	S	.	.			trans	-134.2	168	169.4	70.5	0	0	0	0	108.9	L779 T780 C781	T777-L779 PolarHBondContact O-N 3.01Å; T777-L779 PolarHBondContact OG1-N 3.16Å; T777-T780 PolarHBondContact N-OG1 3.46Å; T777-T780 PolarHBondContact O-N 3.27Å; T777-T780 WeakPolarHBondContact OG1-CG2 3.43Å; T777-T780 PolarHBondContact OG1-N 2.95Å; T777-T780 VanDerWaalsContact OG1-N 3.09Å; T777-T780 PolarHBondContact OG1-OG1 2.96Å; T777-C781 PolarHBondContact O-N 3.5Å; T777-C781 VanDerWaalsContact O-N 3.09Å
778	R	96.6	Very high	94	Very high	72 Å²	72	38.6 Å²	38.6	27%	0.272	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-35.2	172.4	-71.8	-175.1	170	-80.4	4.8	112.7	E708 D712 V766 L770 L803 C804	E708-R778 VanDerWaalsContact CD-NH1 3.28Å; E708-R778 IonicContact OE1-CZ 3.46Å; E708-R778 IonicContact OE1-NH1 3.95Å; E708-R778 PolarHBondContact OE1-NH1 2.89Å; E708-R778 IonicContact OE2-CZ 3.19Å; E708-R778 IonicContact OE2-NH1 2.79Å; E708-R778 PolarHBondContact OE2-NH1 3.21Å; E708-R778 IonicContact OE2-NH2 3.85Å; E708-R778 PolarHBondContact OE2-NH2 2.85Å; D712-R778 IonicContact OD1-CZ 3.09Å; D712-R778 IonicContact OD1-NH2 2.7Å; D712-R778 PolarHBondContact OD1-NH2 2.96Å; V766-R778 HydrophobicContact CG1-CG 4.49Å; L770-R778 HydrophobicContact CD1-CG 4.16Å; R778-L803 HydrophobicContact CB-CB 4.14Å; R778-L803 HydrophobicContact CG-CB 4.28Å; R778-L803 PolarHBondContact NH1-O 2.88Å; R778-L803 WeakPolarHBondContact O-CB 3.46Å; R778-C804 PolarHBondContact O-SG 3.44Å
779	L	97.6	Very high	94.1	Very high	78 Å²	78	37.7 Å²	37.7	41%	0.408	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-29	-177.8	-58.5	-179.6	0	0	0	113.1	T777 C804 D808 A809 V810	T777-L779 PolarHBondContact O-N 3.01Å; T777-L779 PolarHBondContact OG1-N 3.16Å; L779-C804 HydrophobicContact CD2-CB 3.92Å; L779-D808 HydrophobicContact CD2-CB 4.3Å; L779-A809 CarbonylContact O-C 3.56Å; L779-A809 WeakPolarHBondContact O-CA 3.34Å; L779-V810 HydrophobicContact CB-CB 4.39Å; L779-V810 HydrophobicContact CB-CG2 4.11Å; L779-V810 HydrophobicContact CD1-CG2 4.49Å; L779-V810 PolarHBondContact O-N 2.78Å
780	T	96.9	Very high	93.9	Very high	33 Å²	33	43.2 Å²	43.2	20%	0.202	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-9.3	-171.3	57.6	0	0	0	0	114.4	S736 W737 T777 V810	S736-T780 WeakPolarHBondContact CA-O 3.49Å; S736-T780 PolarHBondContact OG-O 3.33Å; W737-T780 PolarHBondContact N-O 2.82Å; T777-T780 PolarHBondContact N-OG1 3.46Å; T777-T780 PolarHBondContact O-N 3.27Å; T777-T780 WeakPolarHBondContact OG1-CG2 3.43Å; T777-T780 PolarHBondContact OG1-N 2.95Å; T777-T780 VanDerWaalsContact OG1-N 3.09Å; T777-T780 PolarHBondContact OG1-OG1 2.96Å; T780-V810 WeakPolarHBondContact CA-O 3.41Å; T780-V810 HydrophobicContact CG2-CB 4Å; T780-V810 HydrophobicContact CG2-CG1 4.15Å
781	C	97.2	Very high	93.8	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.007	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	161.7	-176.4	-65	0	0	0	0	113.2	V734 Y735 C776 T777	V734-C781 HydrophobicContact CG1-CB 3.99Å; Y735-C781 CarbonylContact O-C 3.57Å; Y735-C781 WeakPolarHBondContact O-CA 3.45Å; Y735-C781 WeakPolarHBondContact O-CB 3.47Å; C776-C781 WeakPolarHBondContact CA-SG 3.46Å; C776-C781 HydrophobicContact CB-CB 3.78Å; C776-C781 WeakPolarHBondContact CB-SG 3.47Å; C776-C781 WeakPolarHBondContact SG-CB 3.28Å; C776-C781 CovalentContact SG-SG 2.04Å; C776-C781 PolarHBondContact SG-SG 3.09Å; T777-C781 PolarHBondContact O-N 3.5Å; T777-C781 VanDerWaalsContact O-N 3.09Å
782	L	97.2	Very high	93.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	166.3	173.4	70.6	86	0	0	0	109.8	Y735 W737 T784 F802 V837 L858 V860	Y735-L782 HydrophobicContact CD2-CD1 4.27Å; Y735-L782 PolarHBondContact N-O 3.09Å; Y735-L782 PolarHBondContact O-N 3.37Å; W737-L782 HydrophobicContact CD2-CD2 3.92Å; W737-L782 HydrophobicContact CE3-CD2 3.52Å; W737-L782 HydrophobicContact CH2-CB 4.3Å; W737-L782 HydrophobicContact CH2-CD2 3.43Å; W737-L782 VanDerWaalsContact CH2-CD2 3.43Å; W737-L782 HydrophobicContact CZ2-CB 3.87Å; W737-L782 HydrophobicContact CZ2-CD2 3.77Å; W737-L782 HydrophobicContact CZ2-CG 4.46Å; W737-L782 HydrophobicContact CZ3-CD2 3.27Å; L782-T784 HydrophobicContact CD1-CG2 3.86Å; L782-F802 HydrophobicContact CB-CD1 4.39Å; L782-V837 HydrophobicContact CD2-CG1 3.98Å; L782-L858 HydrophobicContact CD1-CD2 3.67Å; L782-L858 HydrophobicContact CD2-CD1 4.26Å; L782-L858 HydrophobicContact CD2-CD2 4.02Å; L782-V860 HydrophobicContact CD1-CG1 4.42Å
783	L	98.1	Very high	94	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	138.2	177.1	-51.4	-178	0	0	0	111.1	L714 V734 L769 R800 H801 L803	L714-L783 HydrophobicContact CD1-CD1 4.17Å; L714-L783 HydrophobicContact CD2-CD1 3.39Å; L714-L783 HydrophobicContact CG-CD1 4.39Å; V734-L783 HydrophobicContact CB-CD2 4.28Å; V734-L783 HydrophobicContact CG1-CD2 4.19Å; V734-L783 HydrophobicContact CG2-CD2 3.66Å; L769-L783 HydrophobicContact CD2-CD2 4.1Å; L783-R800 VanDerWaalsContact O-CA 3.27Å; L783-R800 WeakPolarHBondContact O-CA 3.41Å; L783-R800 WeakPolarHBondContact O-CB 3.28Å; L783-H801 HydrophobicContact CB-CB 4.31Å; L783-H801 PolarHBondContact N-O 3.47Å; L783-H801 PolarHBondContact O-N 3.04Å; L783-L803 HydrophobicContact CD1-CD2 3.95Å; L783-L803 HydrophobicContact CD1-CG 4.43Å; L783-L803 HydrophobicContact CD2-CD1 4.22Å; L783-L803 HydrophobicContact CG-CD1 4.18Å; L783-L803 HydrophobicContact CG-CD2 4.2Å; L783-L803 HydrophobicContact CG-CG 4.14Å
784	T	98.4	Very high	94.6	Very high	12 Å²	12	52 Å²	52	7%	0.074	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	154.6	157.9	71.7	0	0	0	0	109.3	T733 Y735 L782 N799 L858 V860	T733-T784 PolarHBondContact N-O 2.97Å; T733-T784 PolarHBondContact O-N 3.37Å; Y735-T784 HydrophobicContact CD2-CG2 4.08Å; Y735-T784 HydrophobicContact CE2-CG2 4.05Å; Y735-T784 WeakPolarHBondContact CE2-OG1 3.12Å; L782-T784 HydrophobicContact CD1-CG2 3.86Å; T784-N799 CarbonylContact C-O 3.56Å; T784-N799 VanDerWaalsContact CA-O 3.32Å; T784-N799 WeakPolarHBondContact CA-O 3.47Å; T784-L858 HydrophobicContact CG2-CD2 4.07Å; T784-V860 HydrophobicContact CG2-CG1 4.37Å; T784-V860 HydrophobicContact CG2-CG2 4.37Å
785	F	98.3	Very high	95.4	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	148.2	177.5	46.8	-91.3	0	0	0	112	P704 G706 V716 V731 V732 N799 R800 H801	P704-F785 HydrophobicContact CB-CD2 3.73Å; P704-F785 HydrophobicContact CB-CE2 3.99Å; P704-F785 HydrophobicContact CG-CD2 4.16Å; P704-F785 HydrophobicContact CG-CE2 4.44Å; G706-F785 VanDerWaalsContact CA-CZ 3.4Å; G706-F785 VanDerWaalsContact N-CZ 3.31Å; V716-F785 HydrophobicContact CG1-CD2 3.91Å; V716-F785 HydrophobicContact CG1-CE2 4.24Å; V716-F785 HydrophobicContact CG2-CG 4.43Å; V731-F785 WeakPolarHBondContact O-CA 3.48Å; V731-F785 WeakPolarHBondContact O-CB 3.26Å; V732-F785 HydrophobicContact CG2-CB 4.19Å; F785-N799 HydrophobicContact CD2-CB 4.08Å; F785-N799 HydrophobicContact CE2-CB 3.52Å; F785-N799 HydrophobicContact CZ-CB 3.96Å; F785-N799 PolarHBondContact N-O 3.32Å; F785-N799 PolarHBondContact O-N 3.09Å; F785-R800 VanDerWaalsContact CE1-C 3.42Å; F785-H801 HydrophobicContact CE1-CB 3.76Å; F785-H801 HydrophobicContact CZ-CB 4.5Å
786	H	98.5	Very high	96.1	Very high	32 Å²	32	44.3 Å²	44.3	15%	0.148	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	166.7	174.2	66	-83.6	0	0	0	110.6	A730 V731 Q794	A730-H786 WeakPolarHBondContact CA-O 3.27Å; V731-H786 VanDerWaalsContact CB-CE1 3.45Å; V731-H786 WeakPolarHBondContact CB-CE1 3.32Å; V731-H786 PolarHBondContact N-O 3.18Å; V731-H786 PolarHBondContact O-N 3.18Å; V731-H786 VanDerWaalsContact O-N 3.1Å; H786-Q794 HydrophobicContact CB-CG 4.16Å
787	L	98.4	Very high	96.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	139	174.2	-57.7	172.7	0	0	0	109	V702 P704 A718 L728 R729 A730 I761 Q794 H795	V702-L787 HydrophobicContact CG1-CD1 3.83Å; P704-L787 HydrophobicContact CB-CD1 4.09Å; P704-L787 HydrophobicContact CB-CD2 4.13Å; P704-L787 HydrophobicContact CB-CG 3.8Å; P704-L787 HydrophobicContact CG-CD1 4.5Å; P704-L787 HydrophobicContact CG-CG 4.16Å; A718-L787 HydrophobicContact CB-CD1 3.62Å; A718-L787 HydrophobicContact CB-CD2 4.16Å; L728-L787 HydrophobicContact CD1-CB 4.44Å; L728-L787 HydrophobicContact CD1-CD1 4.13Å; R729-L787 WeakPolarHBondContact O-CA 3.46Å; A730-L787 HydrophobicContact CB-CD2 4.24Å; I761-L787 HydrophobicContact CD1-CD2 4.17Å; I761-L787 HydrophobicContact CG2-CD2 3.96Å; L787-Q794 CarbonylContact O-C 3.31Å; L787-Q794 WeakPolarHBondContact O-CA 3.37Å; L787-H795 PolarHBondContact O-N 2.67Å
788	Q	97.3	Very high	96.5	Very high	39 Å²	39	45 Å²	45	18%	0.182	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	154.2	171.5	68.4	-177.5	7.4	0	0	110.7	L728 R729 V731 V793	L728-Q788 CarbonylContact C-O 3.53Å; L728-Q788 WeakPolarHBondContact CA-O 3.26Å; R729-Q788 HydrophobicContact CG-CG 3.62Å; R729-Q788 PolarHBondContact N-O 2.98Å; R729-Q788 PolarHBondContact O-N 2.86Å; V731-Q788 HydrophobicContact CG2-CG 3.81Å; Q788-V793 WeakPolarHBondContact CA-O 3.28Å; Q788-V793 WeakPolarHBondContact CB-O 3.36Å
789	D	95.4	Very high	96.6	Very high	31 Å²	31	42.1 Å²	42.1	17%	0.166	24%	0.241	C	C	.	.			trans	-83.7	-172.5	171.5	60.5	24.8	0	0	0	112	D791 G792 V793 H795	D789-D791 VanDerWaalsContact C-N 3.27Å; D789-D791 PolarHBondContact O-N 3.33Å; D789-D791 PolarHBondContact OD1-N 3.38Å; D789-D791 VanDerWaalsContact OD1-N 3.07Å; D789-G792 PolarHBondContact O-N 3.42Å; D789-G792 PolarHBondContact OD1-N 3.12Å; D789-V793 PolarHBondContact N-O 2.95Å; D789-V793 VanDerWaalsContact N-O 3.08Å; D789-V793 WeakPolarHBondContact OD1-CB 3.32Å; D789-V793 PolarHBondContact OD1-N 3.32Å; D789-V793 WeakPolarHBondContact OD2-CB 3.43Å; D789-H795 IonicContact OD2-CD2 2.76Å; D789-H795 IonicContact OD2-CE1 2.91Å; D789-H795 IonicContact OD2-NE2 3.56Å; D789-H795 PolarHBondContact OD2-NE2 2.79Å
790	E	90.3	Very high	96.6	Very high	118 Å²	118	39.4 Å²	39.4	55%	0.551	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-26.8	179.2	-58.4	-155.9	124.8	0	0	113.8	E727 G792	E727-E790 HydrophobicContact CG-CG 4.43Å; E790-G792 PolarHBondContact O-N 2.88Å
791	D	92.6	Very high	96.7	Very high	146 Å²	146	39.4 Å²	39.4	78%	0.781	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-2.9	177.2	-66.7	-41.6	0	0	0	112	D789 V793	D789-D791 VanDerWaalsContact C-N 3.27Å; D789-D791 PolarHBondContact O-N 3.33Å; D789-D791 PolarHBondContact OD1-N 3.38Å; D789-D791 VanDerWaalsContact OD1-N 3.07Å; D791-V793 VanDerWaalsContact C-N 3.31Å; D791-V793 HydrophobicContact CB-CG2 4.2Å
792	G	91.9	Very high	96.7	Very high	42 Å²	42	40 Å²	40	43%	0.433	23%	0.226	S	C	.	.			trans	77	17.4	-177.3	0	0	0	0	0	113.2	D789 E790	D789-G792 PolarHBondContact O-N 3.42Å; D789-G792 PolarHBondContact OD1-N 3.12Å; E790-G792 PolarHBondContact O-N 2.88Å
793	V	96.1	Very high	96.8	Very high	78 Å²	78	40.5 Å²	40.5	47%	0.473	23%	0.228	S	C	.	.			trans	-80.7	124.4	175.8	-179.8	0	0	0	0	108.8	Q788 D789 D791 H795	Q788-V793 WeakPolarHBondContact CA-O 3.28Å; Q788-V793 WeakPolarHBondContact CB-O 3.36Å; D789-V793 PolarHBondContact N-O 2.95Å; D789-V793 VanDerWaalsContact N-O 3.08Å; D789-V793 WeakPolarHBondContact OD1-CB 3.32Å; D789-V793 PolarHBondContact OD1-N 3.32Å; D789-V793 WeakPolarHBondContact OD2-CB 3.43Å; D791-V793 VanDerWaalsContact C-N 3.31Å; D791-V793 HydrophobicContact CB-CG2 4.2Å; V793-H795 PolarHBondContact O-CD2 3.1Å
794	Q	97.4	Very high	96.7	Very high	87 Å²	87	41.5 Å²	41.5	41%	0.407	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	132.1	175.7	178.4	176.5	-39.4	0	0	111	H786 L787 G796 T798	H786-Q794 HydrophobicContact CB-CG 4.16Å; L787-Q794 CarbonylContact O-C 3.31Å; L787-Q794 WeakPolarHBondContact O-CA 3.37Å; Q794-G796 PolarHBondContact NE2-O 2.79Å; Q794-T798 PolarHBondContact NE2-OG1 2.99Å
795	H	97.2	Very high	96.7	Very high	44 Å²	44	42 Å²	42	20%	0.204	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	125	173.1	-69.5	-92.6	0	0	0	110.5	V702 L728 L787 D789 V793	V702-H795 HydrophobicContact CB-CB 4.25Å; V702-H795 HydrophobicContact CG1-CB 4.03Å; V702-H795 HydrophobicContact CG2-CB 4.48Å; L728-H795 HydrophobicContact CD2-CB 4.34Å; L787-H795 PolarHBondContact O-N 2.67Å; D789-H795 IonicContact OD2-CD2 2.76Å; D789-H795 IonicContact OD2-CE1 2.91Å; D789-H795 IonicContact OD2-NE2 3.56Å; D789-H795 PolarHBondContact OD2-NE2 2.79Å; V793-H795 PolarHBondContact O-CD2 3.1Å
796	G	96.8	Very high	96.7	Very high	35 Å²	35	42 Å²	42	36%	0.361	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	74.9	-178.7	-178.6	0	0	0	0	0	114.5	V702 Q794	V702-G796 VanDerWaalsContact O-CA 3.31Å; V702-G796 WeakPolarHBondContact O-CA 3.46Å; Q794-G796 PolarHBondContact NE2-O 2.79Å
797	P	97.4	Very high	96.6	Very high	24 Å²	24	44.2 Å²	44.2	16%	0.156	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	154.8	180	32.1	-35.3	0	0	0	111.6	N697 A700 L703	N697-P797 HydrophobicContact CB-CB 4.24Å; N697-P797 HydrophobicContact CB-CG 4.05Å; A700-P797 VanDerWaalsContact CB-CD 3.4Å; A700-P797 HydrophobicContact CB-CG 3.96Å; L703-P797 HydrophobicContact CD1-CG 4.18Å
798	T	98	Very high	96.6	Very high	72 Å²	72	48.1 Å²	48.1	44%	0.442	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	136.4	162.7	-53.1	0	0	0	0	109	Q794	Q794-T798 PolarHBondContact NE2-OG1 2.99Å
799	N	98.4	Very high	96.6	Very high	13 Å²	13	47.2 Å²	47.2	7%	0.07	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	174.2	175.6	-161.2	0.3	0	0	0	110.3	K642 E646 P704 T784 F785	K642-N799 WeakPolarHBondContact CE-OD1 3.22Å; K642-N799 PolarHBondContact NZ-OD1 3.21Å; E646-N799 PolarHBondContact OE1-ND2 3.09Å; P704-N799 HydrophobicContact CG-CB 4.13Å; P704-N799 PolarHBondContact O-ND2 3.22Å; T784-N799 CarbonylContact C-O 3.56Å; T784-N799 VanDerWaalsContact CA-O 3.32Å; T784-N799 WeakPolarHBondContact CA-O 3.47Å; F785-N799 HydrophobicContact CD2-CB 4.08Å; F785-N799 HydrophobicContact CE2-CB 3.52Å; F785-N799 HydrophobicContact CZ-CB 3.96Å; F785-N799 PolarHBondContact N-O 3.32Å; F785-N799 PolarHBondContact O-N 3.09Å
800	R	97.8	Very high	96.7	Very high	21 Å²	21	49.6 Å²	49.6	8%	0.079	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	158.3	-175	66.3	177.1	176.8	-174.7	-9.9	112.2	E639 L783 F785 F802 F840 L858	E639-R800 IonicContact OE1-CZ 2.79Å; E639-R800 IonicContact OE1-NE 3.53Å; E639-R800 IonicContact OE1-NH2 3.85Å; E639-R800 PolarHBondContact OE1-NH2 2.92Å; L783-R800 VanDerWaalsContact O-CA 3.27Å; L783-R800 WeakPolarHBondContact O-CA 3.41Å; L783-R800 WeakPolarHBondContact O-CB 3.28Å; F785-R800 VanDerWaalsContact CE1-C 3.42Å; R800-F802 VanDerWaalsContact NH1-CZ 3.26Å; R800-F840 VanDerWaalsContact NH2-CD1 3.33Å; R800-F840 VanDerWaalsContact NH2-CZ 3.26Å; R800-L858 HydrophobicContact CB-CD2 4.11Å
801	H	98	Very high	97	Very high	33 Å²	33	45.8 Å²	45.8	15%	0.153	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	129.2	169.2	179.6	69.1	0	0	0	109.7	E708 L783 F785	E708-H801 WeakPolarHBondContact CG-NE2 3.49Å; E708-H801 IonicContact OE1-CD2 2.98Å; E708-H801 IonicContact OE1-CE1 3.27Å; E708-H801 IonicContact OE1-NE2 3.81Å; E708-H801 PolarHBondContact OE1-NE2 2.95Å; L783-H801 HydrophobicContact CB-CB 4.31Å; L783-H801 PolarHBondContact N-O 3.47Å; L783-H801 PolarHBondContact O-N 3.04Å; F785-H801 HydrophobicContact CE1-CB 3.76Å; F785-H801 HydrophobicContact CZ-CB 4.5Å
802	F	98.2	Very high	97.1	Very high	14 Å²	14	40.1 Å²	40.1	6%	0.061	25%	0.246	C	C	.	.			trans	-91.8	121.2	174.8	-65.2	-55.2	0	0	0	109.6	W552 W737 L782 R800 C804 P806 F840	W552-F802 HydrophobicContact CH2-CB 4.16Å; W552-F802 AromaticContact CH2-CD2 3.36Å; W552-F802 HydrophobicContact CH2-CD2 3.36Å; W552-F802 HydrophobicContact CH2-CE2 4.05Å; W552-F802 HydrophobicContact CH2-CG 4.12Å; W552-F802 HydrophobicContact CZ2-CD2 4.11Å; W552-F802 HydrophobicContact CZ2-CE2 4.5Å; W552-F802 HydrophobicContact CZ3-CB 3.89Å; W552-F802 AromaticContact CZ3-CD2 3.94Å; W552-F802 HydrophobicContact CZ3-CD2 3.94Å; W552-F802 HydrophobicContact CZ3-CG 4.35Å; W737-F802 AromaticContact CH2-CD1 3.83Å; W737-F802 HydrophobicContact CH2-CD1 3.83Å; W737-F802 AromaticContact CH2-CE1 3.49Å; W737-F802 HydrophobicContact CH2-CE1 3.49Å; W737-F802 VanDerWaalsContact CH2-CE1 3.49Å; W737-F802 AromaticContact CZ2-CD1 3.87Å; W737-F802 HydrophobicContact CZ2-CD1 3.87Å; W737-F802 HydrophobicContact CZ2-CE1 4.04Å; L782-F802 HydrophobicContact CB-CD1 4.39Å; R800-F802 VanDerWaalsContact NH1-CZ 3.26Å; F802-C804 WeakPolarHBondContact CB-O 3.17Å; F802-C804 PolarHBondContact O-N 2.85Å; F802-P806 HydrophobicContact CD2-CG 4.39Å; F802-P806 HydrophobicContact CE2-CG 4.39Å; F802-F840 HydrophobicContact CE2-CE2 4.08Å; F802-F840 AromaticContact CE2-CZ 3.81Å; F802-F840 HydrophobicContact CE2-CZ 3.81Å; F802-F840 AromaticContact CZ-CE2 4Å; F802-F840 HydrophobicContact CZ-CE2 4Å; F802-F840 HydrophobicContact CZ-CZ 4.11Å
803	L	97.4	Very high	97.2	Very high	9 Å²	9	42.9 Å²	42.9	5%	0.047	25%	0.247	C	C	.	.	S	Bend	trans	-75	-14	-179	-67	169.5	0	0	0	113.5	V766 L770 R778 L783	V766-L803 HydrophobicContact CG1-CD2 3.83Å; V766-L803 HydrophobicContact CG2-CD2 4.47Å; L770-L803 HydrophobicContact CD1-CD1 4.39Å; L770-L803 HydrophobicContact CD2-CD1 3.73Å; R778-L803 HydrophobicContact CB-CB 4.14Å; R778-L803 HydrophobicContact CG-CB 4.28Å; R778-L803 PolarHBondContact NH1-O 2.88Å; R778-L803 WeakPolarHBondContact O-CB 3.46Å; L783-L803 HydrophobicContact CD1-CD2 3.95Å; L783-L803 HydrophobicContact CD1-CG 4.43Å; L783-L803 HydrophobicContact CD2-CD1 4.22Å; L783-L803 HydrophobicContact CG-CD1 4.18Å; L783-L803 HydrophobicContact CG-CD2 4.2Å; L783-L803 HydrophobicContact CG-CG 4.14Å
804	C	97.3	Very high	97.1	Very high	21 Å²	21	47.2 Å²	47.2	14%	0.142	26%	0.255	C	S	.	.	S	Bend	trans	-150.6	166.3	171.9	66.2	0	0	0	0	109.8	R778 L779 F802	R778-C804 PolarHBondContact O-SG 3.44Å; L779-C804 HydrophobicContact CD2-CB 3.92Å; F802-C804 WeakPolarHBondContact CB-O 3.17Å; F802-C804 PolarHBondContact O-N 2.85Å
805	S	98.2	Very high	96.8	Very high	22 Å²	22	43.5 Å²	43.5	15%	0.154	24%	0.239	C	C	.	.			trans	-57.1	133.7	169.5	-62	0	0	0	0	111.1	H613 K807 D808 A809	H613-S805 PolarHBondContact ND1-OG 3.28Å; S805-K807 PolarHBondContact O-N 3.33Å; S805-K807 VanDerWaalsContact O-N 3.11Å; S805-D808 WeakPolarHBondContact CB-OD2 3.39Å; S805-D808 WeakPolarHBondContact O-CA 3.34Å; S805-D808 PolarHBondContact O-N 2.87Å; S805-A809 PolarHBondContact O-N 2.9Å
806	P	97.5	Very high	96.5	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.013	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-56.2	-28.5	178.3	-31.8	38.3	0	0	0	115	W552 H613 F614 F802 D808 A809 L888	W552-P806 VanDerWaalsContact CH2-CD 3.41Å; W552-P806 HydrophobicContact CH2-CG 3.94Å; H613-P806 WeakPolarHBondContact O-CD 3.17Å; F614-P806 HydrophobicContact CD1-CB 4.25Å; F614-P806 HydrophobicContact CD1-CG 4.36Å; F614-P806 HydrophobicContact CE1-CB 4.27Å; F614-P806 HydrophobicContact CE1-CG 3.93Å; F802-P806 HydrophobicContact CD2-CG 4.39Å; F802-P806 HydrophobicContact CE2-CG 4.39Å; P806-D808 PolarHBondContact O-N 2.86Å; P806-A809 WeakPolarHBondContact O-CB 3.3Å; P806-A809 PolarHBondContact O-N 2.95Å; P806-L888 HydrophobicContact CB-CD2 3.64Å; P806-L888 HydrophobicContact CG-CD2 4.46Å
807	K	97.6	Very high	96.4	Very high	77 Å²	77	47.2 Å²	47.2	34%	0.335	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-63.7	-22.7	172.6	69.4	179.2	-179.6	-175.2	0	114.2	A611 L612 H613 I615 S805	A611-K807 PolarHBondContact O-NZ 2.87Å; L612-K807 WeakPolarHBondContact O-CE 3.36Å; L612-K807 PolarHBondContact O-NZ 3.34Å; H613-K807 WeakPolarHBondContact O-CB 3.3Å; H613-K807 WeakPolarHBondContact O-CG 3.39Å; H613-K807 PolarHBondContact O-N 3.41Å; I615-K807 HydrophobicContact CD1-CB 4.42Å; I615-K807 HydrophobicContact CG1-CB 3.61Å; S805-K807 PolarHBondContact O-N 3.33Å; S805-K807 VanDerWaalsContact O-N 3.11Å
808	D	98.2	Very high	96.4	Very high	82 Å²	82	49.9 Å²	49.9	44%	0.439	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-101.3	-1.2	-179.2	-57.1	-46	0	0	0	111.9	L779 S805 P806 V810	L779-D808 HydrophobicContact CD2-CB 4.3Å; S805-D808 WeakPolarHBondContact CB-OD2 3.39Å; S805-D808 WeakPolarHBondContact O-CA 3.34Å; S805-D808 PolarHBondContact O-N 2.87Å; P806-D808 PolarHBondContact O-N 2.86Å; D808-V810 PolarHBondContact O-N 3.1Å
809	A	97.8	Very high	96.4	Very high	21 Å²	21	48.4 Å²	48.4	17%	0.174	26%	0.262	C	S	.	.			trans	-65.6	132.4	-177.9	0	0	0	0	0	111.9	W737 L779 S805 P806 L812	W737-A809 HydrophobicContact CD2-CB 4.48Å; W737-A809 HydrophobicContact CG-CB 4.48Å; W737-A809 HydrophobicContact CZ2-CB 4.4Å; L779-A809 CarbonylContact O-C 3.56Å; L779-A809 WeakPolarHBondContact O-CA 3.34Å; S805-A809 PolarHBondContact O-N 2.9Å; P806-A809 WeakPolarHBondContact O-CB 3.3Å; P806-A809 PolarHBondContact O-N 2.95Å; A809-L812 HydrophobicContact CB-CB 4.29Å
810	V	97.2	Very high	96.4	Very high	80 Å²	80	53.8 Å²	53.8	49%	0.485	29%	0.285	S	S	.	.	S	Bend	trans	-106	126.4	179	177.1	0	0	0	0	109.6	L779 T780 D808	L779-V810 HydrophobicContact CB-CB 4.39Å; L779-V810 HydrophobicContact CB-CG2 4.11Å; L779-V810 HydrophobicContact CD1-CG2 4.49Å; L779-V810 PolarHBondContact O-N 2.78Å; T780-V810 WeakPolarHBondContact CA-O 3.41Å; T780-V810 HydrophobicContact CG2-CB 4Å; T780-V810 HydrophobicContact CG2-CG1 4.15Å; D808-V810 PolarHBondContact O-N 3.1Å
811	G	95.1	Very high	96.4	Very high	38 Å²	38	53.3 Å²	53.3	39%	0.392	29%	0.285	S	S	.	.	S	Bend	trans	91.9	1.8	-178.9	0	0	0	0	0	114.4	W737 A738 Q813	W737-G811 CarbonylContact C-O 3.45Å; W737-G811 VanDerWaalsContact C-O 3.29Å; A738-G811 WeakPolarHBondContact CA-O 3.39Å; A738-G811 PolarHBondContact N-O 2.86Å; G811-Q813 PolarHBondContact O-N 3.05Å; G811-Q813 VanDerWaalsContact O-N 3.12Å
812	L	95.7	Very high	96.3	Very high	28 Å²	28	55.6 Å²	55.6	15%	0.147	30%	0.295	C	S	.	.			trans	-65.9	108.4	170.1	176.8	59.4	0	0	0	109.6	W737 A809 P839 T889	W737-L812 HydrophobicContact CB-CB 4.23Å; W737-L812 HydrophobicContact CE3-CB 4.49Å; W737-L812 HydrophobicContact CE3-CD1 3.7Å; W737-L812 HydrophobicContact CG-CB 4.42Å; W737-L812 HydrophobicContact CZ3-CD1 4.01Å; A809-L812 HydrophobicContact CB-CB 4.29Å; L812-P839 HydrophobicContact CD1-CG 4.09Å; L812-P839 HydrophobicContact CD2-CG 4.25Å; L812-T889 HydrophobicContact CD1-CG2 4.27Å; L812-T889 HydrophobicContact CD2-CG2 3.85Å; L812-T889 HydrophobicContact CG-CG2 3.72Å
813	Q	93.5	Very high	96.2	Very high	100 Å²	100	60.3 Å²	60.3	47%	0.467	32%	0.318	S	S	.	.			trans	-89.4	150.6	180	-58.8	-177.3	10.3	0	0	110.6	G811 P815 A836	G811-Q813 PolarHBondContact O-N 3.05Å; G811-Q813 VanDerWaalsContact O-N 3.12Å; Q813-P815 WeakPolarHBondContact O-CD 3.34Å; Q813-A836 HydrophobicContact CB-CB 4.05Å
814	R	93.8	Very high	95.7	Very high	168 Å²	168	64 Å²	64	63%	0.634	34%	0.338	S	S	*	.			trans	-70.2	115.1	170.7	-173.5	174.9	-175.8	174.1	4.1	109.7	D890	R814-D890 IonicContact CZ-OD1 3.65Å; R814-D890 IonicContact NE-OD1 3.68Å; R814-D890 PolarHBondContact NE-OD1 2.92Å; R814-D890 IonicContact NH2-OD1 2.66Å; R814-D890 PolarHBondContact NH2-OD1 3.18Å
815	P	91.8	Very high	95	Very high	9 Å²	9	73.1 Å²	73.1	6%	0.058	38%	0.378	C	S	.	.			trans	-77.2	135.2	-177.8	33	-31.6	0	0	0	109.9	Q813 I817 S834 A836 A838 T887 T889	Q813-P815 WeakPolarHBondContact O-CD 3.34Å; P815-I817 HydrophobicContact CB-CD1 4.48Å; P815-I817 HydrophobicContact CB-CG1 3.96Å; P815-I817 HydrophobicContact CG-CD1 4.39Å; P815-I817 HydrophobicContact CG-CG1 4.23Å; P815-I817 PolarHBondContact O-N 2.83Å; P815-S834 WeakPolarHBondContact CB-OG 3.33Å; P815-A836 HydrophobicContact CB-CB 4.3Å; P815-A838 HydrophobicContact CB-CB 3.93Å; P815-A838 HydrophobicContact CG-CB 3.64Å; P815-T887 HydrophobicContact CG-CG2 3.8Å; P815-T889 WeakPolarHBondContact CD-OG1 3.46Å
816	N	90.7	Very high	94.1	Very high	130 Å²	130	75.2 Å²	75.2	70%	0.695	39%	0.393	S	S	*	.			trans	-91.3	85.9	166.8	-174.3	15.9	0	0	0	108.7
817	I	95.9	Very high	93.8	Very high	28 Å²	28	76.4 Å²	76.4	14%	0.144	41%	0.406	C	S	.	.			trans	-81.7	122.8	-178.5	-57.2	-171.5	0	0	0	110.1	P815 L832 H833 A838 V841 M859 V885 T887	P815-I817 HydrophobicContact CB-CD1 4.48Å; P815-I817 HydrophobicContact CB-CG1 3.96Å; P815-I817 HydrophobicContact CG-CD1 4.39Å; P815-I817 HydrophobicContact CG-CG1 4.23Å; P815-I817 PolarHBondContact O-N 2.83Å; I817-L832 HydrophobicContact CG2-CB 4.22Å; I817-L832 HydrophobicContact CG2-CD2 3.98Å; I817-H833 VanDerWaalsContact CA-O 3.3Å; I817-H833 WeakPolarHBondContact CA-O 3.4Å; I817-A838 HydrophobicContact CD1-CB 3.83Å; I817-V841 HydrophobicContact CD1-CG1 4.03Å; I817-V841 HydrophobicContact CD1-CG2 3.83Å; I817-M859 HydrophobicContact CD1-SD 4.45Å; I817-V885 HydrophobicContact CB-CG1 4.31Å; I817-V885 HydrophobicContact CD1-CG1 4.33Å; I817-V885 HydrophobicContact CG2-CG1 4.08Å; I817-T887 HydrophobicContact CD1-CG2 3.42Å; I817-T887 VanDerWaalsContact CD1-CG2 3.42Å; I817-T887 HydrophobicContact CG1-CG2 4.24Å
818	T	97.1	Very high	93.8	Very high	79 Å²	79	73.7 Å²	73.7	49%	0.485	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	134.2	166.6	63.3	0	0	0	0	109.8	L832 H833	T818-L832 CarbonylContact O-C 3.59Å; T818-L832 WeakPolarHBondContact O-CA 3.39Å; T818-H833 PolarHBondContact N-O 3.25Å; T818-H833 PolarHBondContact O-N 2.66Å; T818-H833 WeakPolarHBondContact OG1-CB 3.44Å
819	A	97.4	Very high	93.8	Very high	41 Å²	41	70.3 Å²	70.3	34%	0.339	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	140.7	176.9	0	0	0	0	0	111.1	V830 S831 L883 V885	A819-V830 HydrophobicContact CB-CG1 4.04Å; A819-S831 CarbonylContact C-O 3.59Å; A819-S831 WeakPolarHBondContact CA-O 3.37Å; A819-L883 HydrophobicContact CB-CD2 3.75Å; A819-V885 HydrophobicContact CB-CG2 3.91Å
820	K	97.7	Very high	93.8	Very high	127 Å²	127	69.5 Å²	69.5	55%	0.552	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.9	121.9	176.5	-175.3	-178.9	179.9	-174.7	0	109.9	Q822 V830 S831	K820-Q822 HydrophobicContact CD-CG 4.36Å; K820-Q822 HydrophobicContact CG-CG 4.23Å; K820-V830 WeakPolarHBondContact O-CA 3.25Å; K820-S831 PolarHBondContact N-O 3.03Å; K820-S831 PolarHBondContact O-N 2.83Å
821	V	97.9	Very high	93.8	Very high	11 Å²	11	67.4 Å²	67.4	7%	0.067	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	135.6	172.7	-170.8	0	0	0	0	109.5	T829 V830 V876 L879 S880 L883	V821-T829 CarbonylContact C-O 3.31Å; V821-T829 WeakPolarHBondContact CA-O 3.48Å; V821-V830 HydrophobicContact CG2-CG2 4.19Å; V821-V876 HydrophobicContact CB-CG1 4.22Å; V821-V876 HydrophobicContact CG1-CG1 4.21Å; V821-L879 HydrophobicContact CG1-CB 3.98Å; V821-L879 HydrophobicContact CG1-CD1 4.17Å; V821-L879 HydrophobicContact CG2-CB 4.38Å; V821-S880 WeakPolarHBondContact CB-OG 3.48Å; V821-L883 HydrophobicContact CG2-CD2 3.92Å
822	Q	96.9	Very high	94	Very high	80 Å²	80	65.7 Å²	65.7	37%	0.374	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	159.2	174.5	-62.1	-175.8	-43.3	0	0	109.3	K820 F828 T829	K820-Q822 HydrophobicContact CD-CG 4.36Å; K820-Q822 HydrophobicContact CG-CG 4.23Å; Q822-F828 CarbonylContact O-C 3.6Å; Q822-F828 WeakPolarHBondContact O-CA 3.34Å; Q822-T829 PolarHBondContact N-O 3.23Å; Q822-T829 PolarHBondContact O-N 3.22Å
823	E	95.6	Very high	94.1	Very high	114 Å²	114	68.1 Å²	68.1	53%	0.533	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	129.3	173	-177.8	177.1	-169.6	0	0	107.4	F828 V876	E823-F828 HydrophobicContact CB-CD1 3.89Å; E823-F828 HydrophobicContact CB-CE1 3.9Å; E823-F828 VanDerWaalsContact CD-CE1 3.41Å; E823-F828 HydrophobicContact CG-CD1 4.07Å; E823-F828 HydrophobicContact CG-CE1 3.84Å; E823-F828 HydrophobicContact CG-CZ 4.32Å; E823-F828 WeakPolarHBondContact OE2-CE1 3.02Å; E823-V876 HydrophobicContact CB-CG2 3.46Å; E823-V876 VanDerWaalsContact CB-CG2 3.46Å
824	D	87.3	Confident	94.2	Very high	87 Å²	87	63.3 Å²	63.3	47%	0.465	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	-174.2	173.5	65.3	31.7	0	0	0	110.2	S826 G827	D824-S826 PolarHBondContact O-N 2.89Å; D824-S826 VanDerWaalsContact OD1-CA 3.29Å; D824-S826 WeakPolarHBondContact OD1-CA 3.5Å; D824-S826 VanDerWaalsContact OD1-CB 3.23Å; D824-S826 WeakPolarHBondContact OD1-CB 3.41Å; D824-S826 PolarHBondContact OD1-N 3.48Å; D824-S826 PolarHBondContact OD1-OG 2.65Å; D824-G827 PolarHBondContact N-O 3.45Å; D824-G827 VanDerWaalsContact N-O 3.12Å; D824-G827 PolarHBondContact O-N 3.46Å; D824-G827 PolarHBondContact OD1-N 2.9Å
825	E	82.7	Confident	94.2	Very high	211 Å²	211	58.9 Å²	58.9	99%	0.986	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-18.4	179.7	-62.4	-177.9	177.6	0	0	113.6
826	S	78.9	Confident	94.4	Very high	67 Å²	67	58.6 Å²	58.6	47%	0.469	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-1.5	179.8	82.6	0	0	0	0	114.3	D824	D824-S826 PolarHBondContact O-N 2.89Å; D824-S826 VanDerWaalsContact OD1-CA 3.29Å; D824-S826 WeakPolarHBondContact OD1-CA 3.5Å; D824-S826 VanDerWaalsContact OD1-CB 3.23Å; D824-S826 WeakPolarHBondContact OD1-CB 3.41Å; D824-S826 PolarHBondContact OD1-N 3.48Å; D824-S826 PolarHBondContact OD1-OG 2.65Å
827	G	91.9	Very high	94.7	Very high	27 Å²	27	52.4 Å²	52.4	28%	0.278	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	112.1	-159.3	177.7	0	0	0	0	0	113.8	D824	D824-G827 PolarHBondContact N-O 3.45Å; D824-G827 VanDerWaalsContact N-O 3.12Å; D824-G827 PolarHBondContact O-N 3.46Å; D824-G827 PolarHBondContact OD1-N 2.9Å
828	F	97.4	Very high	94.8	Very high	20 Å²	20	51.1 Å²	51.1	9%	0.088	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	134.1	179.8	-62.6	-76.8	0	0	0	111.3	Q822 E823 K867 F868 A870 T874 V876 L879	Q822-F828 CarbonylContact O-C 3.6Å; Q822-F828 WeakPolarHBondContact O-CA 3.34Å; E823-F828 HydrophobicContact CB-CD1 3.89Å; E823-F828 HydrophobicContact CB-CE1 3.9Å; E823-F828 VanDerWaalsContact CD-CE1 3.41Å; E823-F828 HydrophobicContact CG-CD1 4.07Å; E823-F828 HydrophobicContact CG-CE1 3.84Å; E823-F828 HydrophobicContact CG-CZ 4.32Å; E823-F828 WeakPolarHBondContact OE2-CE1 3.02Å; F828-K867 CarbonylContact O-C 3.49Å; F828-K867 WeakPolarHBondContact O-CA 3.39Å; F828-F868 HydrophobicContact CB-CB 4.07Å; F828-F868 HydrophobicContact CB-CD1 4.49Å; F828-F868 PolarHBondContact O-N 3.04Å; F828-A870 HydrophobicContact CD2-CB 4.47Å; F828-A870 HydrophobicContact CE2-CB 4.44Å; F828-T874 HydrophobicContact CD2-CG2 4.05Å; F828-T874 HydrophobicContact CE1-CG2 4.48Å; F828-T874 HydrophobicContact CE2-CG2 3.43Å; F828-T874 VanDerWaalsContact CE2-CG2 3.43Å; F828-T874 HydrophobicContact CZ-CG2 3.69Å; F828-V876 HydrophobicContact CD1-CG2 4.27Å; F828-V876 HydrophobicContact CE1-CG2 4.09Å; F828-L879 HydrophobicContact CB-CD1 3.9Å; F828-L879 HydrophobicContact CD1-CD1 3.4Å; F828-L879 VanDerWaalsContact CD1-CD1 3.4Å; F828-L879 HydrophobicContact CD2-CD1 4.01Å; F828-L879 HydrophobicContact CE1-CD1 3.9Å; F828-L879 HydrophobicContact CE2-CD1 4.45Å; F828-L879 HydrophobicContact CG-CD1 3.47Å; F828-L879 VanDerWaalsContact CG-CD1 3.47Å; F828-L879 HydrophobicContact CZ-CD1 4.4Å
829	T	97.6	Very high	94.8	Very high	11 Å²	11	47.3 Å²	47.3	7%	0.067	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	149.1	172.8	56.5	0	0	0	0	110.7	V821 Q822 T865 V866 K867	V821-T829 CarbonylContact C-O 3.31Å; V821-T829 WeakPolarHBondContact CA-O 3.48Å; Q822-T829 PolarHBondContact N-O 3.23Å; Q822-T829 PolarHBondContact O-N 3.22Å; T829-T865 HydrophobicContact CG2-CG2 4.22Å; T829-V866 CarbonylContact C-O 3.59Å; T829-V866 WeakPolarHBondContact CA-O 3.12Å; T829-K867 HydrophobicContact CG2-CG 4.17Å
830	V	97.9	Very high	94.9	Very high	4 Å²	4	45.4 Å²	45.4	2%	0.024	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	111.3	171.9	-174.5	0	0	0	0	107.9	A819 K820 V821 L843 F852 T865 V866 L883	A819-V830 HydrophobicContact CB-CG1 4.04Å; K820-V830 WeakPolarHBondContact O-CA 3.25Å; V821-V830 HydrophobicContact CG2-CG2 4.19Å; V830-L843 HydrophobicContact CB-CD2 4.4Å; V830-L843 HydrophobicContact CG1-CD2 3.81Å; V830-F852 HydrophobicContact CG2-CE1 3.84Å; V830-T865 WeakPolarHBondContact O-CA 3.2Å; V830-V866 HydrophobicContact CB-CG2 4Å; V830-V866 PolarHBondContact N-O 3.25Å; V830-V866 PolarHBondContact O-N 3Å; V830-L883 HydrophobicContact CG1-CD2 3.78Å
831	S	97.8	Very high	94.9	Very high	35 Å²	35	39.3 Å²	39.3	25%	0.245	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	119.9	173.7	-65.9	0	0	0	0	109.7	A819 K820 T865	A819-S831 CarbonylContact C-O 3.59Å; A819-S831 WeakPolarHBondContact CA-O 3.37Å; K820-S831 PolarHBondContact N-O 3.03Å; K820-S831 PolarHBondContact O-N 2.83Å; S831-T865 PolarHBondContact OG-OG1 2.88Å; S831-T865 VanDerWaalsContact OG-OG1 3.06Å
832	L	98.2	Very high	94.9	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.016	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	140.2	175.5	-58.2	99.5	0	0	0	109.6	I817 T818 V841 L843 F857 M859 N863 T864 V866 V885	I817-L832 HydrophobicContact CG2-CB 4.22Å; I817-L832 HydrophobicContact CG2-CD2 3.98Å; T818-L832 CarbonylContact O-C 3.59Å; T818-L832 WeakPolarHBondContact O-CA 3.39Å; L832-V841 HydrophobicContact CD2-CG1 3.73Å; L832-L843 HydrophobicContact CD1-CD2 4.19Å; L832-L843 HydrophobicContact CD2-CD2 3.78Å; L832-L843 HydrophobicContact CD2-CG 4.3Å; L832-L843 HydrophobicContact CG-CD2 4.27Å; L832-F857 HydrophobicContact CD1-CZ 4.41Å; L832-M859 HydrophobicContact CB-CE 4.03Å; L832-M859 HydrophobicContact CB-SD 4.28Å; L832-N863 VanDerWaalsContact O-CA 3.31Å; L832-N863 WeakPolarHBondContact O-CA 3.39Å; L832-T864 WeakPolarHBondContact CD1-O 3.11Å; L832-T864 PolarHBondContact N-O 2.9Å; L832-T864 PolarHBondContact O-N 2.85Å; L832-V866 HydrophobicContact CD1-CG2 4.12Å; L832-V885 HydrophobicContact CD2-CG1 4.41Å
833	H	97.9	Very high	95	Very high	78 Å²	78	35.9 Å²	35.9	36%	0.361	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	129	169.3	178.1	77.1	0	0	0	109.4	I817 T818 R862 N863	I817-H833 VanDerWaalsContact CA-O 3.3Å; I817-H833 WeakPolarHBondContact CA-O 3.4Å; T818-H833 PolarHBondContact N-O 3.25Å; T818-H833 PolarHBondContact O-N 2.66Å; T818-H833 WeakPolarHBondContact OG1-CB 3.44Å; H833-R862 CarbonylContact C-O 3.59Å; H833-R862 VanDerWaalsContact CA-O 3.27Å; H833-R862 WeakPolarHBondContact CA-O 3.45Å; H833-R862 PolarHBondContact ND1-O 3.3Å; H833-N863 PolarHBondContact ND1-OD1 3.23Å
834	S	95.9	Very high	95.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.182	C	C	.	.			trans	-128.9	143.4	175.9	-170.7	0	0	0	0	110.9	L740 P815 A836 R862	L740-S834 WeakPolarHBondContact CD1-O 3.49Å; P815-S834 WeakPolarHBondContact CB-OG 3.33Å; S834-A836 PolarHBondContact OG-N 2.87Å; S834-A836 PolarHBondContact OG-O 2.75Å; S834-R862 PolarHBondContact N-O 2.89Å; S834-R862 WeakPolarHBondContact O-CA 3.27Å
835	A	92.8	Very high	95.7	Very high	74 Å²	74	27.6 Å²	27.6	61%	0.612	16%	0.162	S	C	*	.	S	Bend	trans	-95.1	-7.3	173.4	0	0	0	0	0	113.5
836	A	95.9	Very high	96.3	Very high	4 Å²	4	18.6 Å²	18.6	3%	0.033	13%	0.126	C	C	.	.	S	Bend	trans	-141.4	161.3	-179.4	0	0	0	0	0	111	Q813 P815 S834 A838	Q813-A836 HydrophobicContact CB-CB 4.05Å; P815-A836 HydrophobicContact CB-CB 4.3Å; S834-A836 PolarHBondContact OG-N 2.87Å; S834-A836 PolarHBondContact OG-O 2.75Å; A836-A838 PolarHBondContact O-N 2.99Å
837	V	97.3	Very high	97	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	13%	0.127	C	C	.	.			trans	-59.5	127.6	172.7	175.7	0	0	0	0	109.1	W737 D739 L740 L782 L858 M859 V860	W737-V837 HydrophobicContact CE3-CB 4.42Å; W737-V837 HydrophobicContact CE3-CG1 3.81Å; W737-V837 HydrophobicContact CZ3-CG1 3.87Å; D739-V837 WeakPolarHBondContact O-CG2 3.31Å; L740-V837 HydrophobicContact CD2-CG2 3.97Å; L782-V837 HydrophobicContact CD2-CG1 3.98Å; V837-L858 HydrophobicContact CG1-CD1 3.91Å; V837-M859 WeakPolarHBondContact CA-O 3.13Å; V837-V860 HydrophobicContact CG1-CG1 4.13Å; V837-V860 HydrophobicContact CG2-CG1 4.41Å
838	A	97.9	Very high	97.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	102.6	-177.3	0	0	0	0	0	110.7	P815 I817 A836 V841 M859 T887	P815-A838 HydrophobicContact CB-CB 3.93Å; P815-A838 HydrophobicContact CG-CB 3.64Å; I817-A838 HydrophobicContact CD1-CB 3.83Å; A836-A838 PolarHBondContact O-N 2.99Å; A838-V841 HydrophobicContact CB-CG2 3.62Å; A838-V841 WeakPolarHBondContact O-CG2 3.24Å; A838-M859 HydrophobicContact CB-CB 4.18Å; A838-M859 PolarHBondContact N-O 2.79Å; A838-M859 PolarHBondContact O-N 2.85Å; A838-T887 HydrophobicContact CB-CG2 4.21Å
839	P	98	Very high	97.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	138.7	174.9	29.4	-30.7	0	0	0	110.8	W737 L812 L858 L888	W737-P839 HydrophobicContact CZ3-CB 4.37Å; W737-P839 HydrophobicContact CZ3-CG 4.14Å; L812-P839 HydrophobicContact CD1-CG 4.09Å; L812-P839 HydrophobicContact CD2-CG 4.25Å; P839-L858 HydrophobicContact CB-CD1 3.87Å; P839-L888 HydrophobicContact CG-CB 3.97Å; P839-L888 HydrophobicContact CG-CD2 4.07Å; P839-L888 PolarHBondContact O-N 2.86Å
840	F	98.4	Very high	97.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	61.3	47.4	173.5	-53.2	-82.4	0	0	0	114	F614 Y631 V635 E639 M690 F694 R800 F802 W842 F857 L888	F614-F840 AromaticContact CE1-CE2 3.71Å; F614-F840 HydrophobicContact CE1-CE2 3.71Å; F614-F840 HydrophobicContact CE1-CZ 4Å; F614-F840 HydrophobicContact CZ-CE2 4.2Å; F614-F840 HydrophobicContact CZ-CZ 4.01Å; Y631-F840 WeakPolarHBondContact OH-CB 3.37Å; Y631-F840 PolarHBondContact OH-O 3.12Å; V635-F840 HydrophobicContact CB-CD1 4.42Å; V635-F840 HydrophobicContact CG1-CD1 3.67Å; V635-F840 HydrophobicContact CG1-CD2 4.02Å; V635-F840 HydrophobicContact CG1-CE1 3.57Å; V635-F840 HydrophobicContact CG1-CE2 4.01Å; V635-F840 HydrophobicContact CG1-CG 3.87Å; V635-F840 HydrophobicContact CG1-CZ 3.78Å; V635-F840 HydrophobicContact CG2-CB 4.04Å; V635-F840 HydrophobicContact CG2-CD1 4.15Å; V635-F840 HydrophobicContact CG2-CG 4.12Å; E639-F840 HydrophobicContact CG-CE1 3.52Å; E639-F840 HydrophobicContact CG-CZ 3.62Å; E639-F840 WeakPolarHBondContact OE1-CE1 3.45Å; M690-F840 HydrophobicContact SD-CD1 4.06Å; F694-F840 HydrophobicContact CZ-CD1 4.26Å; F694-F840 HydrophobicContact CZ-CE1 4.24Å; R800-F840 VanDerWaalsContact NH2-CD1 3.33Å; R800-F840 VanDerWaalsContact NH2-CZ 3.26Å; F802-F840 HydrophobicContact CE2-CE2 4.08Å; F802-F840 AromaticContact CE2-CZ 3.81Å; F802-F840 HydrophobicContact CE2-CZ 3.81Å; F802-F840 AromaticContact CZ-CE2 4Å; F802-F840 HydrophobicContact CZ-CE2 4Å; F802-F840 HydrophobicContact CZ-CZ 4.11Å; F840-W842 PolarHBondContact O-N 3.04Å; F840-W842 VanDerWaalsContact O-N 3.09Å; F840-F857 WeakPolarHBondContact CA-O 3.46Å; F840-F857 PolarHBondContact N-O 2.83Å; F840-F857 VanDerWaalsContact N-O 3.1Å; F840-L888 HydrophobicContact CD2-CB 4.28Å; F840-L888 HydrophobicContact CD2-CD2 4.12Å; F840-L888 HydrophobicContact CE2-CD2 4.27Å
841	V	98.7	Very high	97	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	113.6	176.6	-177.8	0	0	0	0	109.5	I817 L832 A838 N855 G856 F857 M859 V885 T887	I817-V841 HydrophobicContact CD1-CG1 4.03Å; I817-V841 HydrophobicContact CD1-CG2 3.83Å; L832-V841 HydrophobicContact CD2-CG1 3.73Å; A838-V841 HydrophobicContact CB-CG2 3.62Å; A838-V841 WeakPolarHBondContact O-CG2 3.24Å; V841-N855 PolarHBondContact O-OD1 2.93Å; V841-G856 VanDerWaalsContact O-CA 3.23Å; V841-G856 WeakPolarHBondContact O-CA 3.49Å; V841-G856 PolarHBondContact O-N 3.1Å; V841-F857 HydrophobicContact CB-CD2 4.3Å; V841-F857 HydrophobicContact CB-CE2 3.91Å; V841-F857 HydrophobicContact CB-CZ 4.15Å; V841-F857 HydrophobicContact CG1-CE2 4.28Å; V841-F857 HydrophobicContact CG1-CZ 4.17Å; V841-F857 HydrophobicContact CG2-CE2 4.25Å; V841-F857 PolarHBondContact N-O 3.47Å; V841-M859 HydrophobicContact CG2-CB 3.78Å; V841-M859 HydrophobicContact CG2-SD 4.45Å; V841-V885 HydrophobicContact CG1-CG1 3.98Å; V841-T887 HydrophobicContact CG2-CG2 4.29Å
842	W	98.8	Very high	97	Very high	16 Å²	16	20.5 Å²	20.5	6%	0.061	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	115.4	-178.5	-176.2	-109.3	0	0	0	111.3	Y631 M690 H693 F840 N855 V885 T886	Y631-W842 HydrophobicContact CD2-CB 3.93Å; Y631-W842 HydrophobicContact CD2-CG 4.18Å; Y631-W842 HydrophobicContact CE2-CB 3.58Å; Y631-W842 HydrophobicContact CE2-CG 4.29Å; M690-W842 HydrophobicContact CB-CE3 4.2Å; M690-W842 HydrophobicContact CB-CH2 4.39Å; M690-W842 HydrophobicContact CB-CZ3 3.82Å; M690-W842 HydrophobicContact CE-CB 4.18Å; M690-W842 HydrophobicContact CE-CD2 4.12Å; M690-W842 HydrophobicContact CE-CE3 3.73Å; M690-W842 HydrophobicContact CE-CG 4.34Å; M690-W842 HydrophobicContact CE-CZ3 4.48Å; M690-W842 HydrophobicContact CG-CE3 4.26Å; M690-W842 HydrophobicContact CG-CZ3 4.16Å; H693-W842 AromaticContact CD2-CZ3 3.85Å; F840-W842 PolarHBondContact O-N 3.04Å; F840-W842 VanDerWaalsContact O-N 3.09Å; W842-N855 VanDerWaalsContact CA-OD1 3.31Å; W842-N855 WeakPolarHBondContact CA-OD1 3.29Å; W842-N855 HydrophobicContact CE3-CB 3.97Å; W842-N855 VanDerWaalsContact CE3-ND2 3.26Å; W842-N855 HydrophobicContact CZ3-CB 3.71Å; W842-N855 WeakPolarHBondContact CZ3-ND2 3.43Å; W842-V885 CarbonylContact O-C 3.5Å; W842-V885 WeakPolarHBondContact O-CA 3.4Å; W842-T886 PolarHBondContact N-O 2.82Å; W842-T886 PolarHBondContact O-N 3.03Å
843	L	98.7	Very high	96.9	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.01	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	129.1	173.1	-57.8	126.7	0	0	0	109.3	V830 L832 F852 N855 F857 V866 L883 T884 V885	V830-L843 HydrophobicContact CB-CD2 4.4Å; V830-L843 HydrophobicContact CG1-CD2 3.81Å; L832-L843 HydrophobicContact CD1-CD2 4.19Å; L832-L843 HydrophobicContact CD2-CD2 3.78Å; L832-L843 HydrophobicContact CD2-CG 4.3Å; L832-L843 HydrophobicContact CG-CD2 4.27Å; L843-F852 HydrophobicContact CB-CD1 4.42Å; L843-F852 HydrophobicContact CB-CD2 3.92Å; L843-F852 HydrophobicContact CB-CE1 4.09Å; L843-F852 HydrophobicContact CB-CE2 3.55Å; L843-F852 HydrophobicContact CB-CG 4.33Å; L843-F852 HydrophobicContact CB-CZ 3.64Å; L843-F852 HydrophobicContact CD1-CD1 4.42Å; L843-F852 HydrophobicContact CD1-CG 4.47Å; L843-F852 HydrophobicContact CD2-CE1 4.45Å; L843-F852 WeakPolarHBondContact O-CE2 3.43Å; L843-N855 PolarHBondContact N-OD1 3.1Å; L843-N855 PolarHBondContact O-ND2 2.94Å; L843-F857 HydrophobicContact CD1-CE1 4.05Å; L843-F857 HydrophobicContact CD1-CZ 4.34Å; L843-V866 HydrophobicContact CD1-CG2 3.79Å; L843-V866 HydrophobicContact CD2-CG2 4.46Å; L843-L883 HydrophobicContact CB-CD1 4.27Å; L843-L883 HydrophobicContact CD2-CD1 4.11Å; L843-T884 WeakPolarHBondContact CA-O 3.45Å; L843-V885 HydrophobicContact CD2-CG2 4.33Å
844	D	98.3	Very high	96.9	Very high	19 Å²	19	20 Å²	20	10%	0.102	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	132.5	176.1	-162.7	-41	0	0	0	110.3	K687 G846 L883 T884	K687-D844 IonicContact NZ-OD1 3.77Å; K687-D844 PolarHBondContact NZ-OD1 3.3Å; K687-D844 IonicContact NZ-OD2 2.94Å; K687-D844 PolarHBondContact NZ-OD2 3.18Å; D844-G846 WeakPolarHBondContact OD1-CA 3.12Å; D844-G846 PolarHBondContact OD1-N 3.33Å; D844-L883 CarbonylContact O-C 3.54Å; D844-L883 WeakPolarHBondContact O-CA 3.44Å; D844-T884 PolarHBondContact N-O 2.81Å; D844-T884 PolarHBondContact O-N 2.01Å; D844-T884 PolarHBondContact O-OG1 2.9Å
845	V	97.9	Very high	97	Very high	8 Å²	8	20.1 Å²	20.1	5%	0.048	13%	0.13	C	C	.	.			trans	-112.5	24.8	178.8	-69.6	0	0	0	0	112.3	N847 I848 F852 F868 L879 S882 L883	V845-N847 PolarHBondContact O-N 3.38Å; V845-I848 HydrophobicContact CB-CB 4.39Å; V845-I848 HydrophobicContact CB-CD1 4.27Å; V845-I848 HydrophobicContact CG2-CB 4.05Å; V845-I848 WeakPolarHBondContact O-CG1 3.39Å; V845-I848 PolarHBondContact O-N 3.43Å; V845-F852 HydrophobicContact CG1-CE2 4.4Å; V845-F852 HydrophobicContact CG1-CZ 3.82Å; V845-F852 HydrophobicContact CG2-CE2 4.44Å; V845-F868 HydrophobicContact CG2-CD2 4.38Å; V845-F868 HydrophobicContact CG2-CE2 3.56Å; V845-F868 HydrophobicContact CG2-CZ 3.8Å; V845-L879 HydrophobicContact CB-CD2 4.21Å; V845-L879 HydrophobicContact CG1-CD2 4Å; V845-L879 HydrophobicContact CG2-CD2 4.31Å; V845-S882 WeakPolarHBondContact O-CB 3.4Å; V845-L883 HydrophobicContact CG1-CB 4.2Å; V845-L883 HydrophobicContact CG1-CD1 3.82Å
846	G	95.4	Very high	97.3	Very high	23 Å²	23	16.6 Å²	16.6	24%	0.237	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	-124.6	178.3	0	0	0	0	0	112.3	S575 K687 D844 I848	S575-G846 PolarHBondContact OG-O 3.38Å; K687-G846 PolarHBondContact NZ-O 2.96Å; D844-G846 WeakPolarHBondContact OD1-CA 3.12Å; D844-G846 PolarHBondContact OD1-N 3.33Å; G846-I848 VanDerWaalsContact C-N 3.35Å
847	N	93.6	Very high	97.4	Very high	92 Å²	92	17.7 Å²	17.7	49%	0.492	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	9.8	-175.8	-72.3	-31.8	0	0	0	113.8	S575 V845 P849	S575-N847 VanDerWaalsContact CB-OD1 3.27Å; S575-N847 WeakPolarHBondContact CB-OD1 3.23Å; S575-N847 PolarHBondContact O-OD1 3.29Å; V845-N847 PolarHBondContact O-N 3.38Å; N847-P849 WeakPolarHBondContact O-CD 3.37Å
848	I	97	Very high	97.4	Very high	12 Å²	12	19 Å²	19	6%	0.062	11%	0.112	C	C	.	.			trans	-72.8	112.8	176	-59.1	175	0	0	0	108.2	V845 G846 G850 F868 E878 L879	V845-I848 HydrophobicContact CB-CB 4.39Å; V845-I848 HydrophobicContact CB-CD1 4.27Å; V845-I848 HydrophobicContact CG2-CB 4.05Å; V845-I848 WeakPolarHBondContact O-CG1 3.39Å; V845-I848 PolarHBondContact O-N 3.43Å; G846-I848 VanDerWaalsContact C-N 3.35Å; I848-G850 PolarHBondContact O-N 2.04Å; I848-F868 HydrophobicContact CG2-CE1 4.19Å; I848-F868 HydrophobicContact CG2-CZ 4.1Å; I848-E878 HydrophobicContact CD1-CB 4.48Å; I848-E878 HydrophobicContact CD1-CG 3.79Å; I848-E878 HydrophobicContact CG1-CG 4.45Å; I848-L879 HydrophobicContact CD1-CD2 3.87Å; I848-L879 HydrophobicContact CD1-CG 4.45Å; I848-L879 HydrophobicContact CG2-CD2 3.97Å
849	P	95.7	Very high	97.4	Very high	50 Å²	50	19 Å²	19	33%	0.325	11%	0.112	S	C	.	.	S	Bend	trans	-65	121.3	-178.1	-20	34	0	0	0	111.1	N847 W871 R872	N847-P849 WeakPolarHBondContact O-CD 3.37Å; P849-W871 HydrophobicContact CB-CB 4.13Å; P849-W871 HydrophobicContact CB-CE3 4.15Å; P849-W871 PolarHBondContact O-N 2.8Å; P849-R872 HydrophobicContact CB-CG 4.44Å; P849-R872 HydrophobicContact CG-CG 4.1Å
850	G	96	Very high	97.3	Very high	8 Å²	8	19.9 Å²	19.9	8%	0.082	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.8	-176	-179	0	0	0	0	0	111	I848 V869	I848-G850 PolarHBondContact O-N 2.04Å; G850-V869 CarbonylContact C-O 3.25Å; G850-V869 WeakPolarHBondContact CA-O 3.49Å
851	R	96.6	Very high	97.2	Very high	33 Å²	33	23.1 Å²	23.1	13%	0.125	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	154.1	178.1	60.5	168.2	-175.7	75.6	0.6	111.5	D392 W688 F868 V869 W871	D392-R851 VanDerWaalsContact CG-NH2 3.28Å; D392-R851 IonicContact OD1-NH2 3.69Å; D392-R851 IonicContact OD2-CZ 3.25Å; D392-R851 VanDerWaalsContact OD2-CZ 3.31Å; D392-R851 IonicContact OD2-NE 2.66Å; D392-R851 PolarHBondContact OD2-NE 3.21Å; D392-R851 IonicContact OD2-NH2 3.89Å; D392-R851 PolarHBondContact OD2-NH2 3.44Å; W688-R851 HydrophobicContact CD2-CB 4.13Å; W688-R851 HydrophobicContact CE3-CB 4.49Å; W688-R851 HydrophobicContact CG-CB 4.29Å; R851-F868 WeakPolarHBondContact O-CA 3.27Å; R851-V869 HydrophobicContact CG-CB 4.35Å; R851-V869 PolarHBondContact N-O 3.03Å; R851-V869 PolarHBondContact O-N 3.36Å; R851-W871 HydrophobicContact CB-CZ2 4.14Å; R851-W871 HydrophobicContact CG-CZ2 4.04Å
852	F	98	Very high	97.1	Very high	8 Å²	8	29.5 Å²	29.5	4%	0.035	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	155.5	168.4	-67.3	-79.1	0	0	0	111.4	H693 V830 L843 V845 S854 N855 V866 K867 F868 L883	H693-F852 PolarHBondContact CE1-O 2.95Å; H693-F852 VanDerWaalsContact CE1-O 3.3Å; V830-F852 HydrophobicContact CG2-CE1 3.84Å; L843-F852 HydrophobicContact CB-CD1 4.42Å; L843-F852 HydrophobicContact CB-CD2 3.92Å; L843-F852 HydrophobicContact CB-CE1 4.09Å; L843-F852 HydrophobicContact CB-CE2 3.55Å; L843-F852 HydrophobicContact CB-CG 4.33Å; L843-F852 HydrophobicContact CB-CZ 3.64Å; L843-F852 HydrophobicContact CD1-CD1 4.42Å; L843-F852 HydrophobicContact CD1-CG 4.47Å; L843-F852 HydrophobicContact CD2-CE1 4.45Å; L843-F852 WeakPolarHBondContact O-CE2 3.43Å; V845-F852 HydrophobicContact CG1-CE2 4.4Å; V845-F852 HydrophobicContact CG1-CZ 3.82Å; V845-F852 HydrophobicContact CG2-CE2 4.44Å; F852-S854 VanDerWaalsContact C-N 3.27Å; F852-S854 WeakPolarHBondContact CB-O 3.23Å; F852-N855 HydrophobicContact CB-CB 4.44Å; F852-V866 HydrophobicContact CD1-CG2 3.96Å; F852-K867 CarbonylContact C-O 3.59Å; F852-K867 VanDerWaalsContact CA-O 3.28Å; F852-K867 WeakPolarHBondContact CA-O 3.31Å; F852-F868 HydrophobicContact CD1-CB 4.09Å; F852-F868 AromaticContact CD1-CD2 3.95Å; F852-F868 HydrophobicContact CD1-CD2 3.95Å; F852-F868 HydrophobicContact CD2-CD2 4.27Å; F852-F868 HydrophobicContact CE1-CB 4.02Å; F852-F868 AromaticContact CE1-CD2 3.79Å; F852-F868 HydrophobicContact CE1-CD2 3.79Å; F852-F868 HydrophobicContact CE1-CG 4.31Å; F852-F868 HydrophobicContact CE2-CD2 4.12Å; F852-F868 HydrophobicContact CE2-CE2 4.44Å; F852-F868 HydrophobicContact CG-CD2 4.19Å; F852-F868 AromaticContact CZ-CD2 3.88Å; F852-F868 HydrophobicContact CZ-CD2 3.88Å; F852-F868 HydrophobicContact CZ-CE2 4.48Å; F852-L883 HydrophobicContact CZ-CD1 4.1Å
853	S	96.6	Very high	97	Very high	40 Å²	40	34 Å²	34	28%	0.28	19%	0.186	S	C	.	.	S	Bend	trans	-72.7	-21.2	172.4	63.6	0	0	0	0	113	Q696 K867	Q696-S853 PolarHBondContact OE1-O 2.83Å; Q696-S853 VanDerWaalsContact OE1-O 3.1Å; S853-K867 PolarHBondContact N-O 2.63Å; S853-K867 PolarHBondContact OG-N 3Å
854	S	96.9	Very high	96.9	Very high	30 Å²	30	35.3 Å²	35.3	21%	0.21	20%	0.195	C	C	.	.	S	Bend	trans	-158.2	144	173.7	-173.4	0	0	0	0	108.3	F852	F852-S854 VanDerWaalsContact C-N 3.27Å; F852-S854 WeakPolarHBondContact CB-O 3.23Å
855	N	98.4	Very high	96.9	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.016	22%	0.215	C	C	.	.			trans	-157.7	161.1	179.9	-149.1	-6.2	0	0	0	110.4	H693 V841 W842 L843 F852 F857	H693-N855 HydrophobicContact CB-CB 4.32Å; V841-N855 PolarHBondContact O-OD1 2.93Å; W842-N855 VanDerWaalsContact CA-OD1 3.31Å; W842-N855 WeakPolarHBondContact CA-OD1 3.29Å; W842-N855 HydrophobicContact CE3-CB 3.97Å; W842-N855 VanDerWaalsContact CE3-ND2 3.26Å; W842-N855 HydrophobicContact CZ3-CB 3.71Å; W842-N855 WeakPolarHBondContact CZ3-ND2 3.43Å; L843-N855 PolarHBondContact N-OD1 3.1Å; L843-N855 PolarHBondContact O-ND2 2.94Å; F852-N855 HydrophobicContact CB-CB 4.44Å; N855-F857 PolarHBondContact O-N 2.94Å
856	G	98.3	Very high	96.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	66.7	14.1	-178.2	0	0	0	0	0	114.5	F694 V841	F694-G856 VanDerWaalsContact CE1-O 3.29Å; F694-G856 WeakPolarHBondContact CE1-O 3.39Å; F694-G856 WeakPolarHBondContact CZ-O 3.49Å; V841-G856 VanDerWaalsContact O-CA 3.23Å; V841-G856 WeakPolarHBondContact O-CA 3.49Å; V841-G856 PolarHBondContact O-N 3.1Å
857	F	98.3	Very high	96.9	Very high	28 Å²	28	42.1 Å²	42.1	12%	0.123	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	163.3	-173.6	50.9	-95	0	0	0	112.8	L832 F840 V841 L843 N855 M859 T864 V866	L832-F857 HydrophobicContact CD1-CZ 4.41Å; F840-F857 WeakPolarHBondContact CA-O 3.46Å; F840-F857 PolarHBondContact N-O 2.83Å; F840-F857 VanDerWaalsContact N-O 3.1Å; V841-F857 HydrophobicContact CB-CD2 4.3Å; V841-F857 HydrophobicContact CB-CE2 3.91Å; V841-F857 HydrophobicContact CB-CZ 4.15Å; V841-F857 HydrophobicContact CG1-CE2 4.28Å; V841-F857 HydrophobicContact CG1-CZ 4.17Å; V841-F857 HydrophobicContact CG2-CE2 4.25Å; V841-F857 PolarHBondContact N-O 3.47Å; L843-F857 HydrophobicContact CD1-CE1 4.05Å; L843-F857 HydrophobicContact CD1-CZ 4.34Å; N855-F857 PolarHBondContact O-N 2.94Å; F857-M859 HydrophobicContact CD2-CB 4.19Å; F857-M859 HydrophobicContact CE2-CB 4.06Å; F857-M859 HydrophobicContact CE2-CG 4.48Å; F857-T864 HydrophobicContact CE2-CG2 4.08Å; F857-T864 HydrophobicContact CZ-CG2 4.14Å; F857-V866 HydrophobicContact CE1-CG1 3.92Å; F857-V866 HydrophobicContact CZ-CG1 4.21Å
858	L	98.3	Very high	97.1	Very high	26 Å²	26	38.1 Å²	38.1	14%	0.136	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	115.5	165.3	179.6	61.3	0	0	0	109.4	L782 T784 R800 V837 P839 V860	L782-L858 HydrophobicContact CD1-CD2 3.67Å; L782-L858 HydrophobicContact CD2-CD1 4.26Å; L782-L858 HydrophobicContact CD2-CD2 4.02Å; T784-L858 HydrophobicContact CG2-CD2 4.07Å; R800-L858 HydrophobicContact CB-CD2 4.11Å; V837-L858 HydrophobicContact CG1-CD1 3.91Å; P839-L858 HydrophobicContact CB-CD1 3.87Å; L858-V860 HydrophobicContact CD1-CG1 4.5Å; L858-V860 HydrophobicContact CD2-CG1 4.07Å; L858-V860 HydrophobicContact CG-CG1 3.98Å
859	M	97.7	Very high	97.1	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	102.5	176.3	-172.7	173.3	179.2	0	0	109.9	I817 L832 V837 A838 V841 F857 T861	I817-M859 HydrophobicContact CD1-SD 4.45Å; L832-M859 HydrophobicContact CB-CE 4.03Å; L832-M859 HydrophobicContact CB-SD 4.28Å; V837-M859 WeakPolarHBondContact CA-O 3.13Å; A838-M859 HydrophobicContact CB-CB 4.18Å; A838-M859 PolarHBondContact N-O 2.79Å; A838-M859 PolarHBondContact O-N 2.85Å; V841-M859 HydrophobicContact CG2-CB 3.78Å; V841-M859 HydrophobicContact CG2-SD 4.45Å; F857-M859 HydrophobicContact CD2-CB 4.19Å; F857-M859 HydrophobicContact CE2-CB 4.06Å; F857-M859 HydrophobicContact CE2-CG 4.48Å; M859-T861 VanDerWaalsContact CE-O 3.25Å; M859-T861 WeakPolarHBondContact CE-O 3.19Å; M859-T861 WeakPolarHBondContact CG-O 3.38Å
860	V	96.8	Very high	97	Very high	18 Å²	18	39.8 Å²	39.8	11%	0.109	22%	0.215	C	C	.	.			trans	-103	1.2	172.5	-70.7	0	0	0	0	112.8	Y735 L740 L782 T784 V837 L858	Y735-V860 HydrophobicContact CD1-CB 4.15Å; Y735-V860 HydrophobicContact CD1-CG1 4.33Å; Y735-V860 HydrophobicContact CD2-CB 4.37Å; Y735-V860 HydrophobicContact CD2-CG1 4.08Å; Y735-V860 HydrophobicContact CE1-CB 3.98Å; Y735-V860 HydrophobicContact CE1-CG2 4.39Å; Y735-V860 HydrophobicContact CE2-CB 4.2Å; Y735-V860 HydrophobicContact CE2-CG1 4.35Å; Y735-V860 HydrophobicContact CE2-CG2 4.04Å; Y735-V860 HydrophobicContact CG-CB 4.33Å; Y735-V860 HydrophobicContact CG-CG1 4.06Å; L740-V860 WeakPolarHBondContact CD2-O 3.47Å; L782-V860 HydrophobicContact CD1-CG1 4.42Å; T784-V860 HydrophobicContact CG2-CG1 4.37Å; T784-V860 HydrophobicContact CG2-CG2 4.37Å; V837-V860 HydrophobicContact CG1-CG1 4.13Å; V837-V860 HydrophobicContact CG2-CG1 4.41Å; L858-V860 HydrophobicContact CD1-CG1 4.5Å; L858-V860 HydrophobicContact CD2-CG1 4.07Å; L858-V860 HydrophobicContact CG-CG1 3.98Å
861	T	95.7	Very high	96.9	Very high	68 Å²	68	43.1 Å²	43.1	42%	0.417	23%	0.225	S	C	.	.	S	Bend	trans	-107	150.5	177.4	57.2	0	0	0	0	111	M859 N863 T864	M859-T861 VanDerWaalsContact CE-O 3.25Å; M859-T861 WeakPolarHBondContact CE-O 3.19Å; M859-T861 WeakPolarHBondContact CG-O 3.38Å; T861-N863 VanDerWaalsContact C-N 3.27Å; T861-N863 PolarHBondContact O-N 2.95Å; T861-N863 PolarHBondContact OG1-O 3.07Å; T861-T864 PolarHBondContact OG1-OG1 2.87Å; T861-T864 VanDerWaalsContact OG1-OG1 3.1Å
862	R	95.9	Very high	96.7	Very high	135 Å²	135	46 Å²	46	51%	0.509	24%	0.236	S	C	.	.	S	Bend	trans	-60.7	-37.4	175.9	-72.1	178.4	-170.5	-108.2	-0.1	112.7	L740 H833 S834	L740-R862 HydrophobicContact CD1-CB 4.38Å; L740-R862 HydrophobicContact CD1-CG 3.54Å; H833-R862 CarbonylContact C-O 3.59Å; H833-R862 VanDerWaalsContact CA-O 3.27Å; H833-R862 WeakPolarHBondContact CA-O 3.45Å; H833-R862 PolarHBondContact ND1-O 3.3Å; S834-R862 PolarHBondContact N-O 2.89Å; S834-R862 WeakPolarHBondContact O-CA 3.27Å
863	N	97.3	Very high	96.6	Very high	109 Å²	109	51.6 Å²	51.6	58%	0.583	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127	140.6	-178.9	-59.8	-44.6	0	0	0	109.8	L832 H833 T861	L832-N863 VanDerWaalsContact O-CA 3.31Å; L832-N863 WeakPolarHBondContact O-CA 3.39Å; H833-N863 PolarHBondContact ND1-OD1 3.23Å; T861-N863 VanDerWaalsContact C-N 3.27Å; T861-N863 PolarHBondContact O-N 2.95Å; T861-N863 PolarHBondContact OG1-O 3.07Å
864	T	97.1	Very high	96.5	Very high	31 Å²	31	50.9 Å²	50.9	19%	0.19	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	137.9	173	-59.2	0	0	0	0	108	L832 F857 T861 V866	L832-T864 WeakPolarHBondContact CD1-O 3.11Å; L832-T864 PolarHBondContact N-O 2.9Å; L832-T864 PolarHBondContact O-N 2.85Å; F857-T864 HydrophobicContact CE2-CG2 4.08Å; F857-T864 HydrophobicContact CZ-CG2 4.14Å; T861-T864 PolarHBondContact OG1-OG1 2.87Å; T861-T864 VanDerWaalsContact OG1-OG1 3.1Å; T864-V866 HydrophobicContact CG2-CG1 4.33Å
865	T	97.1	Very high	96.5	Very high	85 Å²	85	52 Å²	52	52%	0.521	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	129.7	173.6	-62.4	0	0	0	0	109	T829 V830 S831	T829-T865 HydrophobicContact CG2-CG2 4.22Å; V830-T865 WeakPolarHBondContact O-CA 3.2Å; S831-T865 PolarHBondContact OG-OG1 2.88Å; S831-T865 VanDerWaalsContact OG-OG1 3.06Å
866	V	97.3	Very high	96.5	Very high	5 Å²	5	53.9 Å²	53.9	3%	0.03	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	149.6	174.5	-62.2	0	0	0	0	110.1	T829 V830 L832 L843 F852 F857 T864	T829-V866 CarbonylContact C-O 3.59Å; T829-V866 WeakPolarHBondContact CA-O 3.12Å; V830-V866 HydrophobicContact CB-CG2 4Å; V830-V866 PolarHBondContact N-O 3.25Å; V830-V866 PolarHBondContact O-N 3Å; L832-V866 HydrophobicContact CD1-CG2 4.12Å; L843-V866 HydrophobicContact CD1-CG2 3.79Å; L843-V866 HydrophobicContact CD2-CG2 4.46Å; F852-V866 HydrophobicContact CD1-CG2 3.96Å; F857-V866 HydrophobicContact CE1-CG1 3.92Å; F857-V866 HydrophobicContact CZ-CG1 4.21Å; T864-V866 HydrophobicContact CG2-CG1 4.33Å
867	K	97.4	Very high	96.5	Very high	102 Å²	102	56.5 Å²	56.5	44%	0.443	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	150.4	174.3	-65	-177.1	173.1	-170.2	0	110.3	F828 T829 F852 S853	F828-K867 CarbonylContact O-C 3.49Å; F828-K867 WeakPolarHBondContact O-CA 3.39Å; T829-K867 HydrophobicContact CG2-CG 4.17Å; F852-K867 CarbonylContact C-O 3.59Å; F852-K867 VanDerWaalsContact CA-O 3.28Å; F852-K867 WeakPolarHBondContact CA-O 3.31Å; S853-K867 PolarHBondContact N-O 2.63Å; S853-K867 PolarHBondContact OG-N 3Å
868	F	97.8	Very high	96.4	Very high	8 Å²	8	58.4 Å²	58.4	4%	0.035	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	120.3	167.8	-179.8	-97	0	0	0	109.7	F828 V845 I848 R851 F852 A870 L879	F828-F868 HydrophobicContact CB-CB 4.07Å; F828-F868 HydrophobicContact CB-CD1 4.49Å; F828-F868 PolarHBondContact O-N 3.04Å; V845-F868 HydrophobicContact CG2-CD2 4.38Å; V845-F868 HydrophobicContact CG2-CE2 3.56Å; V845-F868 HydrophobicContact CG2-CZ 3.8Å; I848-F868 HydrophobicContact CG2-CE1 4.19Å; I848-F868 HydrophobicContact CG2-CZ 4.1Å; R851-F868 WeakPolarHBondContact O-CA 3.27Å; F852-F868 HydrophobicContact CD1-CB 4.09Å; F852-F868 AromaticContact CD1-CD2 3.95Å; F852-F868 HydrophobicContact CD1-CD2 3.95Å; F852-F868 HydrophobicContact CD2-CD2 4.27Å; F852-F868 HydrophobicContact CE1-CB 4.02Å; F852-F868 AromaticContact CE1-CD2 3.79Å; F852-F868 HydrophobicContact CE1-CD2 3.79Å; F852-F868 HydrophobicContact CE1-CG 4.31Å; F852-F868 HydrophobicContact CE2-CD2 4.12Å; F852-F868 HydrophobicContact CE2-CE2 4.44Å; F852-F868 HydrophobicContact CG-CD2 4.19Å; F852-F868 AromaticContact CZ-CD2 3.88Å; F852-F868 HydrophobicContact CZ-CD2 3.88Å; F852-F868 HydrophobicContact CZ-CE2 4.48Å; F868-A870 HydrophobicContact CD1-CB 4.2Å; F868-A870 HydrophobicContact CE1-CB 3.79Å; F868-L879 HydrophobicContact CD1-CD1 4.02Å; F868-L879 HydrophobicContact CD1-CD2 3.79Å; F868-L879 HydrophobicContact CE1-CD1 4.48Å; F868-L879 HydrophobicContact CE1-CD2 3.6Å; F868-L879 HydrophobicContact CG-CD2 4.39Å; F868-L879 HydrophobicContact CZ-CD2 4.06Å
869	V	95.7	Very high	96.4	Very high	63 Å²	63	57.4 Å²	57.4	38%	0.382	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	104.3	177.6	-176.3	0	0	0	0	107.9	G850 R851	G850-V869 CarbonylContact C-O 3.25Å; G850-V869 WeakPolarHBondContact CA-O 3.49Å; R851-V869 HydrophobicContact CG-CB 4.35Å; R851-V869 PolarHBondContact N-O 3.03Å; R851-V869 PolarHBondContact O-N 3.36Å
870	A	94.7	Very high	96.4	Very high	35 Å²	35	60 Å²	60	29%	0.289	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	136.6	179.4	0	0	0	0	0	111.2	F828 F868 R872 T874	F828-A870 HydrophobicContact CD2-CB 4.47Å; F828-A870 HydrophobicContact CE2-CB 4.44Å; F868-A870 HydrophobicContact CD1-CB 4.2Å; F868-A870 HydrophobicContact CE1-CB 3.79Å; A870-R872 WeakPolarHBondContact CB-O 3.45Å; A870-T874 HydrophobicContact CB-CG2 3.65Å
871	W	93.3	Very high	96.4	Very high	77 Å²	77	62.5 Å²	62.5	29%	0.292	37%	0.366	S	S	.	.	S	Bend	trans	-94.3	-6	176	-57.3	-22.9	0	0	0	113.1	N385 G686 P849 R851	N385-W871 VanDerWaalsContact ND2-CH2 3.27Å; N385-W871 WeakPolarHBondContact ND2-CH2 3.49Å; N385-W871 WeakPolarHBondContact ND2-CZ3 2.98Å; N385-W871 VanDerWaalsContact OD1-CE2 3.24Å; G686-W871 WeakPolarHBondContact O-CH2 3.1Å; P849-W871 HydrophobicContact CB-CB 4.13Å; P849-W871 HydrophobicContact CB-CE3 4.15Å; P849-W871 PolarHBondContact O-N 2.8Å; R851-W871 HydrophobicContact CB-CZ2 4.14Å; R851-W871 HydrophobicContact CG-CZ2 4.04Å
872	R	93.3	Very high	96.4	Very high	94 Å²	94	61.5 Å²	61.5	36%	0.355	36%	0.361	S	S	.	.	S	Bend	trans	-137.9	162.8	167.9	65	163.5	176.8	84.8	-4.2	109.8	P849 A870 T874 E878	P849-R872 HydrophobicContact CB-CG 4.44Å; P849-R872 HydrophobicContact CG-CG 4.1Å; A870-R872 WeakPolarHBondContact CB-O 3.45Å; R872-T874 PolarHBondContact O-N 2.93Å; R872-E878 IonicContact CZ-OE1 2.74Å; R872-E878 IonicContact NH1-OE1 3.83Å; R872-E878 PolarHBondContact NH1-OE1 2.82Å; R872-E878 VanDerWaalsContact NH1-OE1 3.11Å; R872-E878 IonicContact NH1-OE2 2.79Å; R872-E878 PolarHBondContact NH1-OE2 3.01Å; R872-E878 IonicContact NH2-OE1 3.66Å; R872-E878 PolarHBondContact NH2-OE1 3.32Å
873	P	94.3	Very high	96.5	Very high	125 Å²	125	56.6 Å²	56.6	81%	0.812	35%	0.345	S	S	*	.			trans	-51.8	132.5	166.9	-26	35.7	0	0	0	111.4
874	T	96	Very high	96.6	Very high	25 Å²	25	55.1 Å²	55.1	15%	0.153	34%	0.34	C	S	.	.			trans	-145.8	-179.4	177.7	-172.6	0	0	0	0	108.7	F828 A870 R872 E878 L879	F828-T874 HydrophobicContact CD2-CG2 4.05Å; F828-T874 HydrophobicContact CE1-CG2 4.48Å; F828-T874 HydrophobicContact CE2-CG2 3.43Å; F828-T874 VanDerWaalsContact CE2-CG2 3.43Å; F828-T874 HydrophobicContact CZ-CG2 3.69Å; A870-T874 HydrophobicContact CB-CG2 3.65Å; R872-T874 PolarHBondContact O-N 2.93Å; T874-E878 PolarHBondContact OG1-OE2 3.06Å; T874-E878 VanDerWaalsContact OG1-OE2 3.06Å; T874-L879 HydrophobicContact CG2-CD1 3.99Å; T874-L879 HydrophobicContact CG2-CD2 4.48Å; T874-L879 HydrophobicContact CG2-CG 4.19Å
875	S	96.6	Very high	96.6	Very high	53 Å²	53	55.5 Å²	55.5	37%	0.371	34%	0.342	S	S	.	.			trans	-139.6	161.3	178.9	67.4	0	0	0	0	112.1	G877 E878 L879	S875-G877 PolarHBondContact O-N 2.91Å; S875-E878 PolarHBondContact O-N 3.39Å; S875-E878 WeakPolarHBondContact OG-CB 3.45Å; S875-E878 PolarHBondContact OG-N 2.77Å; S875-L879 PolarHBondContact O-N 2.59Å
876	V	97.5	Very high	96.7	Very high	44 Å²	44	52.7 Å²	52.7	27%	0.267	33%	0.325	S	S	.	.	H	α-helix	trans	-53.5	-40.3	172.3	176.8	0	0	0	0	111.7	V821 E823 F828 S880	V821-V876 HydrophobicContact CB-CG1 4.22Å; V821-V876 HydrophobicContact CG1-CG1 4.21Å; E823-V876 HydrophobicContact CB-CG2 3.46Å; E823-V876 VanDerWaalsContact CB-CG2 3.46Å; F828-V876 HydrophobicContact CD1-CG2 4.27Å; F828-V876 HydrophobicContact CE1-CG2 4.09Å; V876-S880 WeakPolarHBondContact O-CB 3.34Å; V876-S880 PolarHBondContact O-N 2.87Å; V876-S880 PolarHBondContact O-OG 3.43Å
877	G	97.8	Very high	96.7	Very high	55 Å²	55	52.5 Å²	52.5	57%	0.567	32%	0.324	S	S	*	.	H	α-helix	trans	-66.2	-43	179.4	0	0	0	0	0	112.9	S875 G881	S875-G877 PolarHBondContact O-N 2.91Å; G877-G881 PolarHBondContact O-N 2.77Å
878	E	97.3	Very high	96.7	Very high	68 Å²	68	47.7 Å²	47.7	32%	0.318	30%	0.303	S	S	.	.	H	α-helix	trans	-65.7	-46.5	178.5	-166.3	-173.9	174.2	0	0	111.6	I848 R872 T874 S875 G881 S882	I848-E878 HydrophobicContact CD1-CB 4.48Å; I848-E878 HydrophobicContact CD1-CG 3.79Å; I848-E878 HydrophobicContact CG1-CG 4.45Å; R872-E878 IonicContact CZ-OE1 2.74Å; R872-E878 IonicContact NH1-OE1 3.83Å; R872-E878 PolarHBondContact NH1-OE1 2.82Å; R872-E878 VanDerWaalsContact NH1-OE1 3.11Å; R872-E878 IonicContact NH1-OE2 2.79Å; R872-E878 PolarHBondContact NH1-OE2 3.01Å; R872-E878 IonicContact NH2-OE1 3.66Å; R872-E878 PolarHBondContact NH2-OE1 3.32Å; T874-E878 PolarHBondContact OG1-OE2 3.06Å; T874-E878 VanDerWaalsContact OG1-OE2 3.06Å; S875-E878 PolarHBondContact O-N 3.39Å; S875-E878 WeakPolarHBondContact OG-CB 3.45Å; S875-E878 PolarHBondContact OG-N 2.77Å; E878-G881 PolarHBondContact O-N 2.97Å; E878-S882 PolarHBondContact O-N 3.37Å; E878-S882 PolarHBondContact O-OG 2.81Å
879	L	97.3	Very high	96.6	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.021	30%	0.304	C	S	.	.	H	α-helix	trans	-63.7	-47.6	176.2	-72.1	170.9	0	0	0	111.4	V821 F828 V845 I848 F868 T874 S875 G881 S882 L883	V821-L879 HydrophobicContact CG1-CB 3.98Å; V821-L879 HydrophobicContact CG1-CD1 4.17Å; V821-L879 HydrophobicContact CG2-CB 4.38Å; F828-L879 HydrophobicContact CB-CD1 3.9Å; F828-L879 HydrophobicContact CD1-CD1 3.4Å; F828-L879 VanDerWaalsContact CD1-CD1 3.4Å; F828-L879 HydrophobicContact CD2-CD1 4.01Å; F828-L879 HydrophobicContact CE1-CD1 3.9Å; F828-L879 HydrophobicContact CE2-CD1 4.45Å; F828-L879 HydrophobicContact CG-CD1 3.47Å; F828-L879 VanDerWaalsContact CG-CD1 3.47Å; F828-L879 HydrophobicContact CZ-CD1 4.4Å; V845-L879 HydrophobicContact CB-CD2 4.21Å; V845-L879 HydrophobicContact CG1-CD2 4Å; V845-L879 HydrophobicContact CG2-CD2 4.31Å; I848-L879 HydrophobicContact CD1-CD2 3.87Å; I848-L879 HydrophobicContact CD1-CG 4.45Å; I848-L879 HydrophobicContact CG2-CD2 3.97Å; F868-L879 HydrophobicContact CD1-CD1 4.02Å; F868-L879 HydrophobicContact CD1-CD2 3.79Å; F868-L879 HydrophobicContact CE1-CD1 4.48Å; F868-L879 HydrophobicContact CE1-CD2 3.6Å; F868-L879 HydrophobicContact CG-CD2 4.39Å; F868-L879 HydrophobicContact CZ-CD2 4.06Å; T874-L879 HydrophobicContact CG2-CD1 3.99Å; T874-L879 HydrophobicContact CG2-CD2 4.48Å; T874-L879 HydrophobicContact CG2-CG 4.19Å; S875-L879 PolarHBondContact O-N 2.59Å; L879-G881 VanDerWaalsContact C-N 3.29Å; L879-G881 PolarHBondContact O-N 3.03Å; L879-S882 PolarHBondContact O-N 2.93Å; L879-L883 VanDerWaalsContact O-CB 3.27Å; L879-L883 WeakPolarHBondContact O-CB 3.17Å; L879-L883 PolarHBondContact O-N 3.46Å
880	S	97.5	Very high	96.6	Very high	57 Å²	57	46.4 Å²	46.4	40%	0.399	29%	0.294	S	S	.	.	H	α-helix	trans	-61.7	-38.5	179.4	-59.3	0	0	0	0	112.2	V821 V876 S882	V821-S880 WeakPolarHBondContact CB-OG 3.48Å; V876-S880 WeakPolarHBondContact O-CB 3.34Å; V876-S880 PolarHBondContact O-N 2.87Å; V876-S880 PolarHBondContact O-OG 3.43Å; S880-S882 VanDerWaalsContact C-N 3.3Å; S880-S882 PolarHBondContact O-N 2.97Å
881	G	97.3	Very high	96.7	Very high	70 Å²	70	44.9 Å²	44.9	72%	0.722	28%	0.281	S	S	*	.	H	α-helix	trans	-71.8	-22.2	179.4	0	0	0	0	0	114.1	G877 E878 L879	G877-G881 PolarHBondContact O-N 2.77Å; E878-G881 PolarHBondContact O-N 2.97Å; L879-G881 VanDerWaalsContact C-N 3.29Å; L879-G881 PolarHBondContact O-N 3.03Å
882	S	97	Very high	96.7	Very high	47 Å²	47	45.8 Å²	45.8	33%	0.329	29%	0.285	S	S	.	.	H	α-helix	trans	-105	-14.4	-178.4	-50	0	0	0	0	113.4	V845 E878 L879 S880 T884	V845-S882 WeakPolarHBondContact O-CB 3.4Å; E878-S882 PolarHBondContact O-N 3.37Å; E878-S882 PolarHBondContact O-OG 2.81Å; L879-S882 PolarHBondContact O-N 2.93Å; S880-S882 VanDerWaalsContact C-N 3.3Å; S880-S882 PolarHBondContact O-N 2.97Å; S882-T884 PolarHBondContact O-N 3.4Å
883	L	98.1	Very high	96.9	Very high	31 Å²	31	43.4 Å²	43.4	16%	0.162	28%	0.282	C	S	.	.			trans	-66.9	124.5	-176.2	-179.1	66.2	0	0	0	111.1	A819 V821 V830 L843 D844 V845 F852 L879 V885	A819-L883 HydrophobicContact CB-CD2 3.75Å; V821-L883 HydrophobicContact CG2-CD2 3.92Å; V830-L883 HydrophobicContact CG1-CD2 3.78Å; L843-L883 HydrophobicContact CB-CD1 4.27Å; L843-L883 HydrophobicContact CD2-CD1 4.11Å; D844-L883 CarbonylContact O-C 3.54Å; D844-L883 WeakPolarHBondContact O-CA 3.44Å; V845-L883 HydrophobicContact CG1-CB 4.2Å; V845-L883 HydrophobicContact CG1-CD1 3.82Å; F852-L883 HydrophobicContact CZ-CD1 4.1Å; L879-L883 VanDerWaalsContact O-CB 3.27Å; L879-L883 WeakPolarHBondContact O-CB 3.17Å; L879-L883 PolarHBondContact O-N 3.46Å; L883-V885 HydrophobicContact CG-CG2 4.46Å
884	T	97.6	Very high	97	Very high	78 Å²	78	39.1 Å²	39.1	48%	0.479	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	145.3	167.6	60.6	0	0	0	0	109	L843 D844 S882	L843-T884 WeakPolarHBondContact CA-O 3.45Å; D844-T884 PolarHBondContact N-O 2.81Å; D844-T884 PolarHBondContact O-N 2.01Å; D844-T884 PolarHBondContact O-OG1 2.9Å; S882-T884 PolarHBondContact O-N 3.4Å
885	V	98.1	Very high	97.1	Very high	39 Å²	39	39.8 Å²	39.8	24%	0.236	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	125.5	175.5	-176	0	0	0	0	107.5	I817 A819 L832 V841 W842 L843 L883	I817-V885 HydrophobicContact CB-CG1 4.31Å; I817-V885 HydrophobicContact CD1-CG1 4.33Å; I817-V885 HydrophobicContact CG2-CG1 4.08Å; A819-V885 HydrophobicContact CB-CG2 3.91Å; L832-V885 HydrophobicContact CD2-CG1 4.41Å; V841-V885 HydrophobicContact CG1-CG1 3.98Å; W842-V885 CarbonylContact O-C 3.5Å; W842-V885 WeakPolarHBondContact O-CA 3.4Å; L843-V885 HydrophobicContact CD2-CG2 4.33Å; L883-V885 HydrophobicContact CG-CG2 4.46Å
886	T	98.1	Very high	97.1	Very high	27 Å²	27	39.1 Å²	39.1	17%	0.166	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	138	178.2	-55	0	0	0	0	109.6	Y631 W842 D890 I891	Y631-T886 HydrophobicContact CD1-CG2 4.26Å; Y631-T886 HydrophobicContact CD2-CG2 4.08Å; Y631-T886 HydrophobicContact CE1-CG2 4.32Å; Y631-T886 HydrophobicContact CE2-CG2 4.13Å; Y631-T886 HydrophobicContact CG-CG2 4.13Å; W842-T886 PolarHBondContact N-O 2.82Å; W842-T886 PolarHBondContact O-N 3.03Å; T886-D890 HydrophobicContact CG2-CB 4.44Å; T886-I891 HydrophobicContact CG2-CG2 4.44Å
887	T	97.8	Very high	97.1	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.006	25%	0.252	C	S	.	.			trans	-122.7	165.3	173.5	70.4	0	0	0	0	110.7	Y631 P815 I817 A838 V841 T889 D890	Y631-T887 VanDerWaalsContact OH-C 3.32Å; P815-T887 HydrophobicContact CG-CG2 3.8Å; I817-T887 HydrophobicContact CD1-CG2 3.42Å; I817-T887 VanDerWaalsContact CD1-CG2 3.42Å; I817-T887 HydrophobicContact CG1-CG2 4.24Å; A838-T887 HydrophobicContact CB-CG2 4.21Å; V841-T887 HydrophobicContact CG2-CG2 4.29Å; T887-T889 VanDerWaalsContact C-N 3.25Å; T887-T889 PolarHBondContact O-N 3.2Å; T887-T889 PolarHBondContact OG1-OG1 2.79Å; T887-D890 WeakPolarHBondContact CB-OD2 3.26Å; T887-D890 PolarHBondContact N-OD2 2.9Å; T887-D890 WeakPolarHBondContact O-CB 3.43Å; T887-D890 PolarHBondContact O-N 2.91Å; T887-D890 PolarHBondContact OG1-OD2 3.07Å
888	L	97.8	Very high	97.1	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-57.2	-37.7	-177.9	-177.8	60.9	0	0	0	113	F614 Y631 P806 P839 F840 D890 I891 Y892	F614-L888 HydrophobicContact CD1-CD1 3.75Å; F614-L888 HydrophobicContact CD1-CD2 3.96Å; F614-L888 HydrophobicContact CE1-CD1 4.38Å; F614-L888 HydrophobicContact CE1-CD2 4.21Å; F614-L888 HydrophobicContact CG-CD1 4.48Å; Y631-L888 PolarHBondContact OH-N 3.08Å; Y631-L888 VanDerWaalsContact OH-N 3.12Å; P806-L888 HydrophobicContact CB-CD2 3.64Å; P806-L888 HydrophobicContact CG-CD2 4.46Å; P839-L888 HydrophobicContact CG-CB 3.97Å; P839-L888 HydrophobicContact CG-CD2 4.07Å; P839-L888 PolarHBondContact O-N 2.86Å; F840-L888 HydrophobicContact CD2-CB 4.28Å; F840-L888 HydrophobicContact CD2-CD2 4.12Å; F840-L888 HydrophobicContact CE2-CD2 4.27Å; L888-D890 PolarHBondContact O-N 3.39Å; L888-I891 HydrophobicContact CD1-CD1 4.01Å; L888-I891 WeakPolarHBondContact O-CG1 3.46Å; L888-Y892 HydrophobicContact CG-CE1 4.2Å; L888-Y892 WeakPolarHBondContact O-CE1 3.49Å
889	T	96.6	Very high	97.1	Very high	8 Å²	8	35.5 Å²	35.5	5%	0.049	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-76.1	-7.6	179.8	49.8	0	0	0	0	113.9	L812 P815 T887 I891	L812-T889 HydrophobicContact CD1-CG2 4.27Å; L812-T889 HydrophobicContact CD2-CG2 3.85Å; L812-T889 HydrophobicContact CG-CG2 3.72Å; P815-T889 WeakPolarHBondContact CD-OG1 3.46Å; T887-T889 VanDerWaalsContact C-N 3.25Å; T887-T889 PolarHBondContact O-N 3.2Å; T887-T889 PolarHBondContact OG1-OG1 2.79Å; T889-I891 PolarHBondContact O-N 3.44Å
890	D	95.9	Very high	97	Very high	35 Å²	35	37.9 Å²	37.9	19%	0.187	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-80	-5.2	178	-70.1	-50.4	0	0	0	113.8	K624 R814 T886 T887 L888	K624-D890 PolarHBondContact NZ-O 3.23Å; R814-D890 IonicContact CZ-OD1 3.65Å; R814-D890 IonicContact NE-OD1 3.68Å; R814-D890 PolarHBondContact NE-OD1 2.92Å; R814-D890 IonicContact NH2-OD1 2.66Å; R814-D890 PolarHBondContact NH2-OD1 3.18Å; T886-D890 HydrophobicContact CG2-CB 4.44Å; T887-D890 WeakPolarHBondContact CB-OD2 3.26Å; T887-D890 PolarHBondContact N-OD2 2.9Å; T887-D890 WeakPolarHBondContact O-CB 3.43Å; T887-D890 PolarHBondContact O-N 2.91Å; T887-D890 PolarHBondContact OG1-OD2 3.07Å; L888-D890 PolarHBondContact O-N 3.39Å
891	I	96.2	Very high	97	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.015	23%	0.228	C	C	.	.			trans	-104.2	-8.7	-173.5	80.5	-171.1	0	0	0	114.2	P617 N618 D628 Y631 V632 T886 L888 T889	P617-I891 VanDerWaalsContact CA-O 3.27Å; P617-I891 WeakPolarHBondContact CA-O 3.4Å; P617-I891 HydrophobicContact CB-CB 4.41Å; P617-I891 HydrophobicContact CG-CB 4.2Å; P617-I891 HydrophobicContact CG-CD1 4.24Å; P617-I891 HydrophobicContact CG-CG1 4.33Å; N618-I891 PolarHBondContact N-O 3.29Å; D628-I891 HydrophobicContact CB-CB 3.92Å; D628-I891 HydrophobicContact CB-CG2 3.79Å; Y631-I891 HydrophobicContact CD1-CD1 4.33Å; Y631-I891 HydrophobicContact CD1-CG2 3.87Å; Y631-I891 HydrophobicContact CE1-CD1 4.31Å; Y631-I891 HydrophobicContact CE1-CG2 4.11Å; V632-I891 HydrophobicContact CB-CD1 4.05Å; V632-I891 HydrophobicContact CG2-CD1 3.96Å; T886-I891 HydrophobicContact CG2-CG2 4.44Å; L888-I891 HydrophobicContact CD1-CD1 4.01Å; L888-I891 WeakPolarHBondContact O-CG1 3.46Å; T889-I891 PolarHBondContact O-N 3.44Å
892	Y	93.6	Very high	97	Very high	96 Å²	96	33.3 Å²	33.3	38%	0.376	18%	0.183	S	C	.	.			trans	-139.2	0	-176.9	57.4	-102.4	0	0	0	116	I615 N618 L888	I615-Y892 HydrophobicContact CB-CD1 3.63Å; I615-Y892 HydrophobicContact CB-CD2 4.44Å; I615-Y892 HydrophobicContact CB-CE1 4.09Å; I615-Y892 HydrophobicContact CB-CG 3.81Å; I615-Y892 HydrophobicContact CD1-CD1 4.26Å; I615-Y892 HydrophobicContact CD1-CD2 3.75Å; I615-Y892 HydrophobicContact CD1-CE1 4.22Å; I615-Y892 HydrophobicContact CD1-CE2 3.72Å; I615-Y892 HydrophobicContact CD1-CG 4.02Å; I615-Y892 HydrophobicContact CG1-CD1 4.39Å; I615-Y892 HydrophobicContact CG1-CE1 4.47Å; I615-Y892 HydrophobicContact CG1-CG 4.48Å; I615-Y892 HydrophobicContact CG2-CD1 4.1Å; I615-Y892 HydrophobicContact CG2-CD2 4.46Å; I615-Y892 HydrophobicContact CG2-CG 3.81Å; N618-Y892 PolarHBondContact ND2-OXT 2.92Å; N618-Y892 PolarHBondContact OD1-OXT 2.73Å; L888-Y892 HydrophobicContact CG-CE1 4.2Å; L888-Y892 WeakPolarHBondContact O-CE1 3.49Å

Retrieved 892 of 892 residues in 1112.1 ms (Link to these results)

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