A0A077Z8D3_TRITR Loading...

alpha,alpha-trehalose-phosphate synthase (UDP-forming)

Catalyzes the production of trehalose from glucose-6-phosphate and UDP-alpha-D-glucose in a 2 step process.

AlphaFold DB , UniProt , Accession A0A077Z8D3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,257 aa.

						>A0A077Z8D3_TRITR|A0A077Z8D3
MPVPSESPPPVETTEDDVRPKPSPFERKFVSVESEEALRFKDEVADCLRCLNAPETNEYGRLVQEPQPLTDDQVEKAASIFARRWKLKDGLSEVAFKGLLLILEHLLAYEVTNHASLTLYDVNAGRNRLRELFAAVPGLRASLLAKHAKRFEEAYHHMLIRRMNSSSLAGSQAASENSVLDFLADQSDNEEESADREANRSAEGIAHVKALRRCTSTDTGSPPRSPLQSQTSVTDSSLPAPDSVLSGALSAGHFQERVITVSNAPPVSLRKKDKEWEIGQGSGGLVSCCEPVMNKDPGNVWLACFGPNVPLRTPSRCDTPLPPPTNSLGLPLIKKVDANVYLSMLQDPAKDEDAGVMKEIREQMSLLGVFRAYNKENYQLNPVVVAENDYNTYYGGISNGLLWPAFHNLPEYIVKDYADPKLLQDHWYSYVRVNYQFAINAVRNSRPQDFLWIHDYHLLLTGLIIQSLDTNFEVGFFLHTPFQPPAEFFTDFKAIAVAVLRGMTRFTKVGFQTHRDRSTFVSLVGEHLSNARIEYVAKTDSYQVTHEGWTTSVGVFPVSIKNEEFLALATDPEVQNKAKEIRNTYIGNSSKGKFFFSCERFDYTKGIKEKLVAFKRFLEKHPERHGIDVLFQVAVTNRRAVESYRDYQDCCSALVDKINSSFSDPKRPEWKPVVLQTDGLPRKYVVAHYLAMDVGVVTPIKDGMNLVAKEMLICNPSASLILSSGAGTEQQFGSSGFYTDSRRCYHRVENINDTEEFADLFYAAAIEDKETVEANGKLLHEFLLANDIEKWSGSFLDPSWTHEVIQSVELKTLKDFYTLMFQTRTARRHIVDRVVKGFPIRHHFALSLKNAKQSLEAACEPGTHIMPLGTGFETEGVARLDVSDEIRQLELDLSFLEFVQSEEYDNLEQFLRYLAMSHPEGSESFFNEVDNATQLMYRGDHFQYFFTDRDGTLKSYACSYNSSIEPAYSAVIQATFANRCTQYAAILTSAPLLNYGILDMVVLPDGYFCYGASIGREWYIDATKKFKDKSISEKEIALLEQVAADVQQQLQLPEFQMFNWIGSGLQKHYGHITVAHQDCYDSVSPEASRKWIDRIKELVRRVDPEGTYLELYEGKTDVRVLLHSHSTGKVFTKGDGIRLFAQEMNLDLACGNVLVCGDSDTDLPMLREMLSINPENTYTIWVACPAAHCHHPSCDQLKRQVKELCESYGNKNYVFVSSPLVLLGAMAQATIREIRIRPSVEGRRDSLDMYRIYPMED
					

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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	27	Very low	28	Very low	239 Å²	239	137.8 Å²	137.8	100%	1.177	83%	0.828	S	S	*	*				0	135.9	0	-78	-172.4	174.2	0	0	108.1
2	P	34.9	Very low	27.9	Very low	124 Å²	124	141.4 Å²	141.4	81%	0.805	83%	0.829	S	S	*	*			trans	-92.3	132.2	169	34.2	-25.8	0	0	0	110.3
3	V	29.3	Very low	27.7	Very low	134 Å²	134	141.1 Å²	141.1	81%	0.812	83%	0.83	S	S	*	*			trans	-169.3	151.4	157.7	-159	0	0	0	0	107.5
4	P	32.1	Very low	27.6	Very low	109 Å²	109	140.6 Å²	140.6	71%	0.708	83%	0.83	S	S	*	*			cis	-131	174.3	-39.7	38	-22.5	0	0	0	114.3
5	S	22.7	Very low	27.4	Very low	102 Å²	102	143.7 Å²	143.7	71%	0.713	83%	0.832	S	S	*	*			trans	-52.7	148	153	51.8	0	0	0	0	115.7
6	E	27.9	Very low	27.4	Very low	195 Å²	195	144.6 Å²	144.6	91%	0.911	83%	0.834	S	S	*	*				-169.3	129	119.4	-104.9	174.6	-162.8	0	0	111.2
7	S	24.7	Very low	27.4	Very low	113 Å²	113	143.6 Å²	143.6	79%	0.79	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-98.1	140.1	-178.4	45.7	0	0	0	0	111.5
8	P	27.6	Very low	27.6	Very low	120 Å²	120	143.6 Å²	143.6	78%	0.779	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-85.6	162.7	171.6	33.3	-30.5	0	0	0	113.1
9	P	26.7	Very low	27.7	Very low	116 Å²	116	146.5 Å²	146.5	75%	0.753	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-89.7	170	-161.6	33.9	-27.6	0	0	0	114.3
10	P	26.7	Very low	27.8	Very low	124 Å²	124	144.9 Å²	144.9	81%	0.805	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-84.1	144.7	-163.5	33.6	-32.6	0	0	0	113.1
11	V	28.7	Very low	27.7	Very low	140 Å²	140	147.6 Å²	147.6	85%	0.848	82%	0.822	S	S	*	*			trans	-96	110.5	172.1	178.3	0	0	0	0	107.8	T13	V11-T13 PolarHBondContact O-N 3.34Å
12	E	26.9	Very low	27.8	Very low	181 Å²	181	140.3 Å²	140.3	85%	0.846	79%	0.792	S	S	*	*			trans	-63.3	129	170.3	-83.3	178.4	153.6	0	0	110.5
13	T	24.7	Very low	27.4	Very low	137 Å²	137	137.7 Å²	137.7	84%	0.84	78%	0.777	S	S	*	*			trans	-77.4	112.9	174.7	45.7	0	0	0	0	110.1	V11	V11-T13 PolarHBondContact O-N 3.34Å
14	T	27.2	Very low	27.3	Very low	135 Å²	135	136.6 Å²	136.6	83%	0.828	77%	0.773	S	S	*	*			trans	-98.6	117.4	159.6	50.6	0	0	0	0	109.2	D16	T14-D16 PolarHBondContact O-N 2.92Å
15	E	24	Very low	27.3	Very low	186 Å²	186	139.9 Å²	139.9	87%	0.869	78%	0.776	S	S	*	*			trans	-58.6	119.2	159.4	-66	174.3	143.5	0	0	109.1
16	D	28.3	Very low	27.5	Very low	159 Å²	159	142 Å²	142	85%	0.85	78%	0.775	S	S	*	*			trans	-166.3	120.6	147.8	-96.8	-27.3	0	0	0	111	T14	T14-D16 PolarHBondContact O-N 2.92Å
17	D	27.1	Very low	27.3	Very low	128 Å²	128	143.2 Å²	143.2	68%	0.684	77%	0.771	S	S	*	*			trans	63	71.3	146.3	-127.8	14	0	0	0	119.8	R19	D17-R19 IonicContact OD2-NH2 3.54Å
18	V	31.2	Very low	27.3	Very low	143 Å²	143	146.8 Å²	146.8	87%	0.867	77%	0.772	S	S	*	*			trans	-103	87.5	159.6	-174.7	0	0	0	0	109.5
19	R	28.9	Very low	27.3	Very low	198 Å²	198	150.5 Å²	150.5	75%	0.747	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-59.1	131.3	162.5	-76.7	-180	-130.1	-172.7	2.3	109	D17 K21	D17-R19 IonicContact OD2-NH2 3.54Å; R19-K21 PolarHBondContact O-N 3.3Å
20	P	30.4	Very low	27.4	Very low	115 Å²	115	151 Å²	151	75%	0.747	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-62.5	128.9	179.4	23.6	-30.9	0	0	0	109.7
21	K	25.8	Very low	27.7	Very low	201 Å²	201	150.3 Å²	150.3	87%	0.874	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-55.7	125	167.1	-80.6	177.7	175.5	174.7	0	107.9	R19	R19-K21 PolarHBondContact O-N 3.3Å
22	P	27.7	Very low	27.9	Very low	86 Å²	86	149.8 Å²	149.8	56%	0.558	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-62.7	143.4	179.9	21.6	-29.9	0	0	0	111.2	E26	P22-E26 HydrophobicContact CB-CB 4.42Å; P22-E26 HydrophobicContact CB-CG 4.21Å; P22-E26 WeakPolarHBondContact CB-OE2 2.84Å
23	S	28.1	Very low	28.7	Very low	70 Å²	70	146 Å²	146	49%	0.49	76%	0.755	S	S	.	*	P	Polyproline II helix	trans	-64.4	157.5	-177.3	89.9	0	0	0	0	111.2	F25 E26	S23-F25 PolarHBondContact O-N 3.4Å; S23-F25 PolarHBondContact OG-N 3.47Å; S23-E26 PolarHBondContact O-N 3.4Å; S23-E26 VanDerWaalsContact O-N 3.16Å
24	P	27	Very low	30.4	Very low	111 Å²	111	142.6 Å²	142.6	72%	0.721	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.1	-9.5	-179	-22.9	33.3	0	0	0	115.4
25	F	31.2	Very low	32.3	Very low	177 Å²	177	144.9 Å²	144.9	78%	0.776	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.7	5.5	-177.8	-64.8	-77.6	0	0	0	114.9	S23 R27	S23-F25 PolarHBondContact O-N 3.4Å; S23-F25 PolarHBondContact OG-N 3.47Å; F25-R27 PolarHBondContact O-N 3.36Å
26	E	27.2	Very low	34.3	Very low	146 Å²	146	142 Å²	142	68%	0.682	72%	0.724	S	S	*	*			trans	-75.8	7	165.9	-79.3	-171.5	-173.4	0	0	113.7	P22 S23 K28	P22-E26 HydrophobicContact CB-CB 4.42Å; P22-E26 HydrophobicContact CB-CG 4.21Å; P22-E26 WeakPolarHBondContact CB-OE2 2.84Å; S23-E26 PolarHBondContact O-N 3.4Å; S23-E26 VanDerWaalsContact O-N 3.16Å; E26-K28 PolarHBondContact O-N 2.9Å
27	R	24.4	Very low	36.1	Very low	222 Å²	222	135 Å²	135	84%	0.838	69%	0.688	S	S	*	*	S	Bend	trans	-96.4	101.3	176.5	-71.6	-175.2	178	178.2	1.1	111.2	F25	F25-R27 PolarHBondContact O-N 3.36Å
28	K	24.5	Very low	38.2	Very low	187 Å²	187	133.1 Å²	133.1	81%	0.813	68%	0.677	S	S	*	*			trans	79.4	71.2	158.3	-56.4	-179.6	176.4	-179.4	0	116.9	E26 V30	E26-K28 PolarHBondContact O-N 2.9Å; K28-V30 PolarHBondContact O-N 2.69Å
29	F	27.8	Very low	40.3	Very low	198 Å²	198	134.2 Å²	134.2	87%	0.868	67%	0.666	S	S	*	*			trans	-74.9	105.7	141	-80.6	-82.8	0	0	0	107.6	S31	F29-S31 PolarHBondContact O-N 2.9Å; F29-S31 VanDerWaalsContact O-N 3.09Å
30	V	27.8	Very low	42.5	Very low	128 Å²	128	125.1 Å²	125.1	78%	0.776	63%	0.632	S	S	*	*			trans	-64.9	108.6	172.4	172.8	0	0	0	0	107.7	K28 V32	K28-V30 PolarHBondContact O-N 2.69Å; V30-V32 PolarHBondContact O-N 3.34Å
31	S	33.4	Very low	44.4	Very low	108 Å²	108	124.1 Å²	124.1	76%	0.755	62%	0.616	S	S	*	*			trans	-69.4	94.3	172.1	53.4	0	0	0	0	110.8	F29	F29-S31 PolarHBondContact O-N 2.9Å; F29-S31 VanDerWaalsContact O-N 3.09Å
32	V	32.8	Very low	46.7	Very low	130 Å²	130	119.1 Å²	119.1	79%	0.788	60%	0.599	S	S	*	*			trans	-150	92.1	146.6	-171.1	0	0	0	0	106.5	V30 S34	V30-V32 PolarHBondContact O-N 3.34Å; V32-S34 PolarHBondContact O-N 2.98Å
33	E	44.4	Very low	48.9	Very low	102 Å²	102	117.7 Å²	117.7	48%	0.477	58%	0.584	S	S	.	*			trans	-70.1	111.8	176.5	-68.1	-177.9	-176	0	0	108.7	A37 L38 K41	E33-A37 HydrophobicContact CB-CB 4.31Å; E33-L38 HydrophobicContact CB-CD1 3.82Å; E33-K41 IonicContact OE1-NZ 3.09Å; E33-K41 PolarHBondContact OE1-NZ 3.38Å; E33-K41 IonicContact OE2-NZ 3.14Å; E33-K41 PolarHBondContact OE2-NZ 3.12Å
34	S	59.6	Low	50.9	Low	65 Å²	65	115.2 Å²	115.2	46%	0.455	57%	0.566	S	S	.	*			trans	-55.6	151	169.7	60.6	0	0	0	0	110.3	V32 E36 A37 L38	V32-S34 PolarHBondContact O-N 2.98Å; S34-E36 PolarHBondContact O-N 3.44Å; S34-A37 WeakPolarHBondContact O-CA 3.46Å; S34-A37 WeakPolarHBondContact O-CB 3.26Å; S34-A37 PolarHBondContact O-N 2.93Å; S34-A37 PolarHBondContact OG-N 3.21Å; S34-L38 PolarHBondContact O-N 3.28Å
35	E	68.1	Low	52.8	Low	182 Å²	182	111.4 Å²	111.4	85%	0.85	55%	0.545	S	S	*	.	H	α-helix	trans	-48	-36.6	173.6	-94.7	-176	150.6	0	0	112.8	A37 L38 R39	E35-A37 VanDerWaalsContact C-N 3.33Å; E35-A37 PolarHBondContact O-N 3.48Å; E35-L38 PolarHBondContact O-N 2.99Å; E35-R39 WeakPolarHBondContact O-CB 3.22Å; E35-R39 PolarHBondContact O-N 3.08Å
36	E	64.9	Low	54.5	Low	126 Å²	126	106.8 Å²	106.8	59%	0.589	53%	0.528	S	S	*	.	H	α-helix	trans	-64.3	-34	175.6	-71	-165.2	167.3	0	0	114	S34 R39 F40 R84	S34-E36 PolarHBondContact O-N 3.44Å; E36-R39 PolarHBondContact O-N 3.15Å; E36-F40 WeakPolarHBondContact O-CB 3.28Å; E36-F40 PolarHBondContact O-N 3.41Å; E36-R84 IonicContact OE2-NH1 2.97Å
37	A	65.3	Low	56.3	Low	11 Å²	11	100.2 Å²	100.2	9%	0.091	50%	0.498	C	S	.	.	H	α-helix	trans	-72.3	-38.8	177.8	0	0	0	0	0	110.9	E33 S34 E35 K41 L91	E33-A37 HydrophobicContact CB-CB 4.31Å; S34-A37 WeakPolarHBondContact O-CA 3.46Å; S34-A37 WeakPolarHBondContact O-CB 3.26Å; S34-A37 PolarHBondContact O-N 2.93Å; S34-A37 PolarHBondContact OG-N 3.21Å; E35-A37 VanDerWaalsContact C-N 3.33Å; E35-A37 PolarHBondContact O-N 3.48Å; A37-K41 WeakPolarHBondContact O-CB 3.33Å; A37-K41 WeakPolarHBondContact O-CG 3.41Å; A37-K41 PolarHBondContact O-N 3.1Å; A37-L91 HydrophobicContact CB-CD1 3.76Å
38	L	72.3	Confident	57.9	Low	89 Å²	89	93.9 Å²	93.9	47%	0.466	48%	0.48	S	S	.	.	H	α-helix	trans	-62	-47.6	170.9	-115	89	0	0	0	110.7	E33 S34 E35 F40 K41 D42	E33-L38 HydrophobicContact CB-CD1 3.82Å; S34-L38 PolarHBondContact O-N 3.28Å; E35-L38 PolarHBondContact O-N 2.99Å; L38-F40 PolarHBondContact O-N 3.48Å; L38-K41 WeakPolarHBondContact O-CB 3.45Å; L38-K41 PolarHBondContact O-N 2.73Å; L38-K41 VanDerWaalsContact O-N 3.15Å; L38-D42 PolarHBondContact O-N 2.78Å
39	R	74.4	Confident	59.5	Low	166 Å²	166	92.3 Å²	92.3	63%	0.626	47%	0.469	S	S	*	.	H	α-helix	trans	-60.3	-44.1	178.1	-175.7	-178.9	171.1	167.1	7.3	112.2	E35 E36 K41 D42 E43	E35-R39 WeakPolarHBondContact O-CB 3.22Å; E35-R39 PolarHBondContact O-N 3.08Å; E36-R39 PolarHBondContact O-N 3.15Å; R39-K41 VanDerWaalsContact C-N 3.34Å; R39-D42 PolarHBondContact O-N 3.27Å; R39-E43 IonicContact CZ-OE1 2.76Å; R39-E43 IonicContact NE-OE1 3.59Å; R39-E43 PolarHBondContact NE-OE1 2.84Å; R39-E43 IonicContact NH2-OE1 3.81Å; R39-E43 WeakPolarHBondContact O-CB 3.31Å; R39-E43 WeakPolarHBondContact O-CG 3.35Å; R39-E43 PolarHBondContact O-N 3.32Å
40	F	75.1	Confident	60.8	Low	7 Å²	7	85.7 Å²	85.7	3%	0.031	45%	0.447	C	S	.	.	H	α-helix	trans	-64.7	-39	176	-177.4	-114.2	0	0	0	111.6	E36 L38 D42 E43 V44 I80 F81 R84 L91 V94 A95	E36-F40 WeakPolarHBondContact O-CB 3.28Å; E36-F40 PolarHBondContact O-N 3.41Å; L38-F40 PolarHBondContact O-N 3.48Å; F40-D42 VanDerWaalsContact C-N 3.34Å; F40-D42 PolarHBondContact O-N 3.36Å; F40-E43 PolarHBondContact O-N 3.49Å; F40-V44 HydrophobicContact CD1-CG2 4.15Å; F40-V44 HydrophobicContact CD2-CG2 4.16Å; F40-V44 HydrophobicContact CE1-CG2 3.77Å; F40-V44 HydrophobicContact CE2-CG2 3.76Å; F40-V44 HydrophobicContact CG-CG2 4.35Å; F40-V44 HydrophobicContact CZ-CG2 3.56Å; F40-V44 WeakPolarHBondContact O-CB 3.33Å; F40-V44 VanDerWaalsContact O-CG2 3.22Å; F40-V44 WeakPolarHBondContact O-CG2 3.29Å; F40-V44 PolarHBondContact O-N 3.13Å; F40-I80 HydrophobicContact CD2-CG2 4.36Å; F40-I80 HydrophobicContact CE2-CG2 3.95Å; F40-F81 HydrophobicContact CZ-CD1 4.13Å; F40-F81 HydrophobicContact CZ-CE1 4.46Å; F40-R84 HydrophobicContact CD1-CG 4.13Å; F40-R84 HydrophobicContact CD2-CB 3.98Å; F40-R84 HydrophobicContact CD2-CG 3.88Å; F40-R84 HydrophobicContact CE1-CB 4.41Å; F40-R84 HydrophobicContact CE1-CG 3.87Å; F40-R84 HydrophobicContact CE2-CB 3.38Å; F40-R84 HydrophobicContact CE2-CG 3.61Å; F40-R84 HydrophobicContact CG-CG 4.13Å; F40-R84 HydrophobicContact CZ-CB 3.63Å; F40-R84 HydrophobicContact CZ-CG 3.6Å; F40-L91 HydrophobicContact CB-CD1 4.4Å; F40-L91 HydrophobicContact CD1-CB 4.09Å; F40-L91 HydrophobicContact CD1-CD1 3.95Å; F40-L91 HydrophobicContact CD1-CD2 4.5Å; F40-L91 HydrophobicContact CD1-CG 4.41Å; F40-L91 HydrophobicContact CE1-CB 4.16Å; F40-V94 HydrophobicContact CE1-CB 4.41Å; F40-V94 HydrophobicContact CE1-CG1 4.34Å; F40-A95 HydrophobicContact CZ-CB 3.95Å
41	K	71.4	Confident	62.1	Low	95 Å²	95	81.9 Å²	81.9	41%	0.413	42%	0.422	S	S	.	.	H	α-helix	trans	-61.5	-41.3	172.8	-79.5	-179.5	176.8	-176	0	112.5	E33 A37 L38 R39 V44 A45	E33-K41 IonicContact OE1-NZ 3.09Å; E33-K41 PolarHBondContact OE1-NZ 3.38Å; E33-K41 IonicContact OE2-NZ 3.14Å; E33-K41 PolarHBondContact OE2-NZ 3.12Å; A37-K41 WeakPolarHBondContact O-CB 3.33Å; A37-K41 WeakPolarHBondContact O-CG 3.41Å; A37-K41 PolarHBondContact O-N 3.1Å; L38-K41 WeakPolarHBondContact O-CB 3.45Å; L38-K41 PolarHBondContact O-N 2.73Å; L38-K41 VanDerWaalsContact O-N 3.15Å; R39-K41 VanDerWaalsContact C-N 3.34Å; K41-V44 PolarHBondContact O-N 3.05Å; K41-A45 VanDerWaalsContact O-CB 3.28Å; K41-A45 WeakPolarHBondContact O-CB 3.48Å; K41-A45 PolarHBondContact O-N 3.08Å
42	D	74.2	Confident	62.9	Low	95 Å²	95	82.2 Å²	82.2	51%	0.508	42%	0.415	S	S	.	.	H	α-helix	trans	-65.7	-43.1	176.3	-70.5	-26.3	0	0	0	111.3	L38 R39 F40 V44 A45 D46	L38-D42 PolarHBondContact O-N 2.78Å; R39-D42 PolarHBondContact O-N 3.27Å; F40-D42 VanDerWaalsContact C-N 3.34Å; F40-D42 PolarHBondContact O-N 3.36Å; D42-V44 PolarHBondContact O-N 3.31Å; D42-A45 PolarHBondContact O-N 3.32Å; D42-D46 WeakPolarHBondContact O-CB 3.34Å; D42-D46 PolarHBondContact O-N 2.85Å
43	E	73.9	Confident	63.7	Low	56 Å²	56	80 Å²	80	26%	0.262	41%	0.41	S	S	.	.	H	α-helix	trans	-62.5	-39.7	174.8	-73.3	174	-172.4	0	0	111.9	R39 F40 C47 I80	R39-E43 IonicContact CZ-OE1 2.76Å; R39-E43 IonicContact NE-OE1 3.59Å; R39-E43 PolarHBondContact NE-OE1 2.84Å; R39-E43 IonicContact NH2-OE1 3.81Å; R39-E43 WeakPolarHBondContact O-CB 3.31Å; R39-E43 WeakPolarHBondContact O-CG 3.35Å; R39-E43 PolarHBondContact O-N 3.32Å; F40-E43 PolarHBondContact O-N 3.49Å; E43-C47 PolarHBondContact O-N 3.3Å; E43-C47 PolarHBondContact O-SG 3.47Å; E43-I80 HydrophobicContact CB-CD1 4.49Å; E43-I80 HydrophobicContact CB-CG2 4.14Å
44	V	69.1	Low	63.8	Low	18 Å²	18	78 Å²	78	11%	0.109	41%	0.407	C	S	.	.	H	α-helix	trans	-70.3	-39.8	174.7	171.8	0	0	0	0	111.4	F40 K41 D42 D46 C47 L48 F81	F40-V44 HydrophobicContact CD1-CG2 4.15Å; F40-V44 HydrophobicContact CD2-CG2 4.16Å; F40-V44 HydrophobicContact CE1-CG2 3.77Å; F40-V44 HydrophobicContact CE2-CG2 3.76Å; F40-V44 HydrophobicContact CG-CG2 4.35Å; F40-V44 HydrophobicContact CZ-CG2 3.56Å; F40-V44 WeakPolarHBondContact O-CB 3.33Å; F40-V44 VanDerWaalsContact O-CG2 3.22Å; F40-V44 WeakPolarHBondContact O-CG2 3.29Å; F40-V44 PolarHBondContact O-N 3.13Å; K41-V44 PolarHBondContact O-N 3.05Å; D42-V44 PolarHBondContact O-N 3.31Å; V44-D46 VanDerWaalsContact C-N 3.32Å; V44-C47 WeakPolarHBondContact O-CB 3.33Å; V44-C47 PolarHBondContact O-N 3.25Å; V44-L48 HydrophobicContact CG1-CD1 3.98Å; V44-L48 HydrophobicContact CG1-CG 4.3Å; V44-L48 WeakPolarHBondContact O-CB 3.41Å; V44-L48 WeakPolarHBondContact O-CG 3.4Å; V44-L48 PolarHBondContact O-N 3.31Å; V44-F81 HydrophobicContact CB-CE1 4.46Å; V44-F81 HydrophobicContact CG1-CE1 4.15Å; V44-F81 HydrophobicContact CG1-CZ 4.25Å; V44-F81 HydrophobicContact CG2-CD1 4.33Å; V44-F81 HydrophobicContact CG2-CE1 3.59Å; V44-F81 HydrophobicContact CG2-CZ 4.28Å
45	A	66.4	Low	63.2	Low	32 Å²	32	82.3 Å²	82.3	26%	0.264	42%	0.42	S	S	.	.	H	α-helix	trans	-64.3	-38.2	175.3	0	0	0	0	0	111.4	K41 D42 L48 R49	K41-A45 VanDerWaalsContact O-CB 3.28Å; K41-A45 WeakPolarHBondContact O-CB 3.48Å; K41-A45 PolarHBondContact O-N 3.08Å; D42-A45 PolarHBondContact O-N 3.32Å; A45-L48 PolarHBondContact O-N 3.36Å; A45-R49 WeakPolarHBondContact O-CB 3.43Å; A45-R49 WeakPolarHBondContact O-CG 3.45Å; A45-R49 PolarHBondContact O-N 3.36Å
46	D	66.9	Low	62.2	Low	80 Å²	80	77.8 Å²	77.8	43%	0.428	40%	0.404	S	S	.	.	H	α-helix	trans	-62.9	-44.8	170.3	-83.8	-16.4	0	0	0	111.8	D42 V44 L48 R49 C50	D42-D46 WeakPolarHBondContact O-CB 3.34Å; D42-D46 PolarHBondContact O-N 2.85Å; V44-D46 VanDerWaalsContact C-N 3.32Å; D46-L48 PolarHBondContact O-N 2.94Å; D46-R49 PolarHBondContact O-N 2.9Å; D46-R49 IonicContact OD1-CZ 2.94Å; D46-R49 IonicContact OD1-NE 3.16Å; D46-R49 PolarHBondContact OD1-NE 3.41Å; D46-R49 IonicContact OD1-NH2 3.94Å; D46-R49 PolarHBondContact OD1-NH2 3.43Å; D46-C50 WeakPolarHBondContact O-CB 3.39Å; D46-C50 PolarHBondContact O-N 3.2Å; D46-C50 PolarHBondContact O-SG 3.11Å; D46-C50 VanDerWaalsContact O-SG 3.33Å
47	C	65	Low	61.6	Low	8 Å²	8	74.7 Å²	74.7	5%	0.054	39%	0.392	C	S	.	.	H	α-helix	trans	-59.1	-47.9	174.2	-68.1	0	0	0	0	111.1	E43 V44 R49 C50 L51 A77 I80	E43-C47 PolarHBondContact O-N 3.3Å; E43-C47 PolarHBondContact O-SG 3.47Å; V44-C47 WeakPolarHBondContact O-CB 3.33Å; V44-C47 PolarHBondContact O-N 3.25Å; C47-R49 PolarHBondContact O-N 2.92Å; C47-C50 CarbonylContact O-C 3.56Å; C47-C50 PolarHBondContact O-N 3.11Å; C47-L51 WeakPolarHBondContact O-CB 3.47Å; C47-L51 WeakPolarHBondContact O-CD1 3.17Å; C47-L51 WeakPolarHBondContact O-CG 3.34Å; C47-L51 PolarHBondContact O-N 3Å; C47-A77 HydrophobicContact CB-CB 4.38Å; C47-I80 WeakPolarHBondContact SG-CD1 3.46Å
48	L	58.5	Low	60.8	Low	89 Å²	89	82 Å²	82	47%	0.466	42%	0.424	S	S	.	.	H	α-helix	trans	-65.6	-35.1	179.9	-70.6	172.8	0	0	0	113	V44 A45 D46 L51 N52	V44-L48 HydrophobicContact CG1-CD1 3.98Å; V44-L48 HydrophobicContact CG1-CG 4.3Å; V44-L48 WeakPolarHBondContact O-CB 3.41Å; V44-L48 WeakPolarHBondContact O-CG 3.4Å; V44-L48 PolarHBondContact O-N 3.31Å; A45-L48 PolarHBondContact O-N 3.36Å; D46-L48 PolarHBondContact O-N 2.94Å; L48-L51 HydrophobicContact CD2-CD1 4.24Å; L48-L51 PolarHBondContact O-N 3.3Å; L48-N52 PolarHBondContact O-N 2.96Å
49	R	59	Low	59.2	Low	153 Å²	153	86 Å²	86	58%	0.577	43%	0.434	S	S	*	.	H	α-helix	trans	-64.6	-45.6	170.6	-79.5	-173.1	-74.8	-101	5.3	111.4	A45 D46 C47 L51 N52	A45-R49 WeakPolarHBondContact O-CB 3.43Å; A45-R49 WeakPolarHBondContact O-CG 3.45Å; A45-R49 PolarHBondContact O-N 3.36Å; D46-R49 PolarHBondContact O-N 2.9Å; D46-R49 IonicContact OD1-CZ 2.94Å; D46-R49 IonicContact OD1-NE 3.16Å; D46-R49 PolarHBondContact OD1-NE 3.41Å; D46-R49 IonicContact OD1-NH2 3.94Å; D46-R49 PolarHBondContact OD1-NH2 3.43Å; C47-R49 PolarHBondContact O-N 2.92Å; R49-L51 PolarHBondContact O-N 3.42Å; R49-N52 PolarHBondContact O-N 3.02Å; R49-N52 VanDerWaalsContact O-N 3.12Å; R49-N52 PolarHBondContact O-OD1 3.27Å
50	C	55.5	Low	57.4	Low	60 Å²	60	80.7 Å²	80.7	41%	0.405	43%	0.431	S	S	.	.	H	α-helix	trans	-64.1	-30.9	174.8	-71.1	0	0	0	0	112.6	D46 C47 N52	D46-C50 WeakPolarHBondContact O-CB 3.39Å; D46-C50 PolarHBondContact O-N 3.2Å; D46-C50 PolarHBondContact O-SG 3.11Å; D46-C50 VanDerWaalsContact O-SG 3.33Å; C47-C50 CarbonylContact O-C 3.56Å; C47-C50 PolarHBondContact O-N 3.11Å; C50-N52 PolarHBondContact O-N 2.97Å
51	L	53.8	Low	55.6	Low	47 Å²	47	89.1 Å²	89.1	25%	0.246	46%	0.463	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-1.2	175.3	-68.1	166.8	0	0	0	113.5	C47 L48 R49 A53 L69	C47-L51 WeakPolarHBondContact O-CB 3.47Å; C47-L51 WeakPolarHBondContact O-CD1 3.17Å; C47-L51 WeakPolarHBondContact O-CG 3.34Å; C47-L51 PolarHBondContact O-N 3Å; L48-L51 HydrophobicContact CD2-CD1 4.24Å; L48-L51 PolarHBondContact O-N 3.3Å; R49-L51 PolarHBondContact O-N 3.42Å; L51-A53 PolarHBondContact O-N 3.03Å; L51-L69 HydrophobicContact CD2-CD1 3.25Å; L51-L69 HydrophobicContact CD2-CD2 3.8Å; L51-L69 HydrophobicContact CD2-CG 4.17Å
52	N	51	Low	54.1	Low	115 Å²	115	89.5 Å²	89.5	62%	0.615	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	41.6	56.2	169.1	-112.4	4.8	0	0	0	113.9	L48 R49 C50 P54	L48-N52 PolarHBondContact O-N 2.96Å; R49-N52 PolarHBondContact O-N 3.02Å; R49-N52 VanDerWaalsContact O-N 3.12Å; R49-N52 PolarHBondContact O-OD1 3.27Å; C50-N52 PolarHBondContact O-N 2.97Å; N52-P54 VanDerWaalsContact O-N 3.08Å
53	A	49.6	Very low	53.2	Low	83 Å²	83	88.8 Å²	88.8	69%	0.686	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-49.5	119.8	171.2	0	0	0	0	0	109	L51 E55	L51-A53 PolarHBondContact O-N 3.03Å; A53-E55 PolarHBondContact O-N 3.13Å
54	P	46.9	Very low	51.8	Low	62 Å²	62	93.7 Å²	93.7	40%	0.403	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-64.9	131.4	-162.7	21.9	-32.6	0	0	0	111.4	N52 T56 L62	N52-P54 VanDerWaalsContact O-N 3.08Å; P54-T56 PolarHBondContact O-N 2.79Å; P54-L62 HydrophobicContact CB-CD2 3.51Å; P54-L62 HydrophobicContact CG-CD2 3.64Å
55	E	46.7	Very low	50.7	Low	155 Å²	155	101.2 Å²	101.2	72%	0.724	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-61.7	121.1	170.2	-75.7	-174	165.2	0	0	109.2	A53 V63	A53-E55 PolarHBondContact O-N 3.13Å; E55-V63 HydrophobicContact CB-CB 4.31Å; E55-V63 HydrophobicContact CB-CG2 4.23Å; E55-V63 WeakPolarHBondContact O-CB 3.35Å; E55-V63 WeakPolarHBondContact O-CG2 3.29Å; E55-V63 PolarHBondContact O-N 3.32Å
56	T	45.8	Very low	49.7	Very low	86 Å²	86	102.4 Å²	102.4	53%	0.528	53%	0.529	S	S	.	.	B	Isolated β-bridge	trans	-94.3	135.8	167.8	54.6	0	0	0	0	108.9	P54 R61	P54-T56 PolarHBondContact O-N 2.79Å; T56-R61 WeakPolarHBondContact CA-O 3.45Å
57	N	52.1	Low	49	Very low	61 Å²	61	106.3 Å²	106.3	33%	0.326	55%	0.545	S	S	.	.			trans	-65.9	174.9	168.4	68.1	13.8	0	0	0	110.9	Y59 G60 R61 V63	N57-Y59 PolarHBondContact O-N 3.25Å; N57-Y59 WeakPolarHBondContact OD1-CA 3.41Å; N57-Y59 WeakPolarHBondContact OD1-CB 3.34Å; N57-Y59 PolarHBondContact OD1-N 3.35Å; N57-G60 PolarHBondContact O-N 3.36Å; N57-G60 PolarHBondContact OD1-N 3.5Å; N57-R61 PolarHBondContact N-O 3.13Å; N57-R61 PolarHBondContact OD1-N 3.49Å; N57-R61 PolarHBondContact OD1-O 3.26Å; N57-V63 HydrophobicContact CB-CG2 4.02Å
58	E	49.6	Very low	48.4	Very low	166 Å²	166	110.4 Å²	110.4	78%	0.776	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.2	-14.8	177.7	62.5	-178.2	178.7	0	0	114.7
59	Y	38.8	Very low	48.3	Very low	172 Å²	172	107.2 Å²	107.2	68%	0.675	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102	10.2	176.6	-54	-75.9	0	0	0	113.8	N57 R61	N57-Y59 PolarHBondContact O-N 3.25Å; N57-Y59 WeakPolarHBondContact OD1-CA 3.41Å; N57-Y59 WeakPolarHBondContact OD1-CB 3.34Å; N57-Y59 PolarHBondContact OD1-N 3.35Å; Y59-R61 PolarHBondContact O-N 2.84Å
60	G	36.8	Very low	48.7	Very low	54 Å²	54	103.6 Å²	103.6	56%	0.557	55%	0.55	S	S	*	.	S	Bend	trans	71.3	14.2	179.6	0	0	0	0	0	114.3	N57	N57-G60 PolarHBondContact O-N 3.36Å; N57-G60 PolarHBondContact OD1-N 3.5Å
61	R	37.8	Very low	48.9	Very low	185 Å²	185	105.6 Å²	105.6	70%	0.698	56%	0.557	S	S	*	*			trans	-92.8	137.4	174.8	-64.8	-173.9	-179.4	-176.1	0.3	110	T56 N57 Y59 V63	T56-R61 WeakPolarHBondContact CA-O 3.45Å; N57-R61 PolarHBondContact N-O 3.13Å; N57-R61 PolarHBondContact OD1-N 3.49Å; N57-R61 PolarHBondContact OD1-O 3.26Å; Y59-R61 PolarHBondContact O-N 2.84Å; R61-V63 PolarHBondContact O-N 2.87Å
62	L	38.1	Very low	49.4	Very low	103 Å²	103	109 Å²	109	54%	0.539	58%	0.575	S	S	.	*	B	Isolated β-bridge	trans	-55.3	125.1	177.1	-62.7	167.9	0	0	0	109.8	P54	P54-L62 HydrophobicContact CB-CD2 3.51Å; P54-L62 HydrophobicContact CG-CD2 3.64Å
63	V	56.7	Low	50	Low	79 Å²	79	106.6 Å²	106.6	48%	0.479	56%	0.56	S	S	.	*	S	Bend	trans	-72.1	-34.6	177	176.5	0	0	0	0	110.6	E55 N57 R61	E55-V63 HydrophobicContact CB-CB 4.31Å; E55-V63 HydrophobicContact CB-CG2 4.23Å; E55-V63 WeakPolarHBondContact O-CB 3.35Å; E55-V63 WeakPolarHBondContact O-CG2 3.29Å; E55-V63 PolarHBondContact O-N 3.32Å; N57-V63 HydrophobicContact CB-CG2 4.02Å; R61-V63 PolarHBondContact O-N 2.87Å
64	Q	44.6	Very low	50.9	Low	159 Å²	159	103.3 Å²	103.3	74%	0.743	53%	0.531	S	S	*	.	S	Bend	trans	-146.7	152.9	172.7	-79.6	-178	-7	0	0	110.5
65	E	44.4	Very low	51.8	Low	177 Å²	177	106.6 Å²	106.6	83%	0.827	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-65.9	132.4	169.6	-77.8	-175.9	161.8	0	0	109.9	Q67	E65-Q67 PolarHBondContact O-N 2.75Å
66	P	46.6	Very low	53	Low	56 Å²	56	105.3 Å²	105.3	36%	0.364	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-63.5	128.8	-179.8	23.5	-30.4	0	0	0	110.4
67	Q	51.8	Low	54.1	Low	163 Å²	163	101.4 Å²	101.4	76%	0.762	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-70.7	143.4	172.9	-69.8	-163.9	-9.2	0	0	110.5	E65	E65-Q67 PolarHBondContact O-N 2.75Å
68	P	52	Low	55.1	Low	93 Å²	93	99.9 Å²	99.9	60%	0.604	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-62.2	142.1	176.5	25	-32.3	0	0	0	111
69	L	57.4	Low	56.2	Low	23 Å²	23	94.8 Å²	94.8	12%	0.12	49%	0.488	C	S	.	.	P	Polyproline II helix	trans	-66.7	141.6	175.9	-62.3	171.7	0	0	0	110.5	L51 V74 H105	L51-L69 HydrophobicContact CD2-CD1 3.25Å; L51-L69 HydrophobicContact CD2-CD2 3.8Å; L51-L69 HydrophobicContact CD2-CG 4.17Å; L69-V74 HydrophobicContact CB-CG2 3.9Å; L69-V74 HydrophobicContact CD1-CG2 4.06Å; L69-H105 WeakPolarHBondContact CD1-CD2 3.39Å; L69-H105 VanDerWaalsContact CD1-NE2 3.34Å; L69-H105 WeakPolarHBondContact CD1-NE2 3.36Å; L69-H105 WeakPolarHBondContact CG-NE2 3.43Å
70	T	65.9	Low	58	Low	77 Å²	77	87.8 Å²	87.8	47%	0.472	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-75.8	151.6	169.6	66.6	0	0	0	0	110.4	D72 Q73 V74	T70-D72 PolarHBondContact O-N 3.21Å; T70-D72 VanDerWaalsContact O-N 3.16Å; T70-Q73 WeakPolarHBondContact O-CB 3.4Å; T70-Q73 PolarHBondContact O-N 3.3Å; T70-Q73 VanDerWaalsContact OG1-CG 3.3Å; T70-Q73 WeakPolarHBondContact OG1-CG 3.37Å; T70-Q73 PolarHBondContact OG1-N 3.35Å; T70-Q73 PolarHBondContact OG1-OE1 2.66Å; T70-V74 PolarHBondContact O-N 3.23Å; T70-V74 VanDerWaalsContact O-N 3.13Å
71	D	59.9	Low	59.9	Low	102 Å²	102	85.5 Å²	85.5	55%	0.545	44%	0.437	S	S	.	.	H	α-helix	trans	-52.7	-38.5	176.4	-69.3	-22.5	0	0	0	111.8	Q73 V74 E75	D71-Q73 VanDerWaalsContact C-N 3.32Å; D71-Q73 PolarHBondContact O-N 3.41Å; D71-V74 PolarHBondContact O-N 3.5Å; D71-E75 WeakPolarHBondContact O-CB 3.45Å; D71-E75 PolarHBondContact O-N 2.79Å
72	D	65.2	Low	61.5	Low	119 Å²	119	77.7 Å²	77.7	64%	0.636	41%	0.412	S	S	*	.	H	α-helix	trans	-63.3	-34.7	177.7	-161.2	56.4	0	0	0	112.5	T70 K76	T70-D72 PolarHBondContact O-N 3.21Å; T70-D72 VanDerWaalsContact O-N 3.16Å; D72-K76 WeakPolarHBondContact O-CB 3.4Å; D72-K76 PolarHBondContact O-N 3.14Å
73	Q	64.5	Low	63.2	Low	64 Å²	64	80.5 Å²	80.5	30%	0.299	42%	0.415	S	S	.	.	H	α-helix	trans	-71.3	-42.3	175	-71.9	170.8	-33.2	0	0	111.8	T70 D71 A77	T70-Q73 WeakPolarHBondContact O-CB 3.4Å; T70-Q73 PolarHBondContact O-N 3.3Å; T70-Q73 VanDerWaalsContact OG1-CG 3.3Å; T70-Q73 WeakPolarHBondContact OG1-CG 3.37Å; T70-Q73 PolarHBondContact OG1-N 3.35Å; T70-Q73 PolarHBondContact OG1-OE1 2.66Å; D71-Q73 VanDerWaalsContact C-N 3.32Å; D71-Q73 PolarHBondContact O-N 3.41Å; Q73-A77 WeakPolarHBondContact O-CB 3.49Å; Q73-A77 PolarHBondContact O-N 2.77Å
74	V	67.1	Low	63.8	Low	13 Å²	13	78.1 Å²	78.1	8%	0.079	40%	0.398	C	S	.	.	H	α-helix	trans	-65.2	-45.7	177.4	176	0	0	0	0	110.4	L69 T70 D71 A77 A78 I102 L106	L69-V74 HydrophobicContact CB-CG2 3.9Å; L69-V74 HydrophobicContact CD1-CG2 4.06Å; T70-V74 PolarHBondContact O-N 3.23Å; T70-V74 VanDerWaalsContact O-N 3.13Å; D71-V74 PolarHBondContact O-N 3.5Å; V74-A77 PolarHBondContact O-N 3.33Å; V74-A78 WeakPolarHBondContact O-CB 3.28Å; V74-A78 PolarHBondContact O-N 3.4Å; V74-I102 HydrophobicContact CG1-CG2 3.86Å; V74-L106 HydrophobicContact CG1-CD1 4.33Å; V74-L106 HydrophobicContact CG1-CD2 4.12Å; V74-L106 HydrophobicContact CG1-CG 4.37Å
75	E	66	Low	64.9	Low	131 Å²	131	75 Å²	75	61%	0.612	38%	0.379	S	S	*	.	H	α-helix	trans	-62.7	-44.8	179.2	-172.4	174.8	179.1	0	0	111.3	D71 A77 A78 S79	D71-E75 WeakPolarHBondContact O-CB 3.45Å; D71-E75 PolarHBondContact O-N 2.79Å; E75-A77 PolarHBondContact O-N 3.16Å; E75-A78 PolarHBondContact O-N 3.26Å; E75-S79 WeakPolarHBondContact O-CB 3.42Å; E75-S79 PolarHBondContact O-N 3.01Å
76	K	71	Confident	65.7	Low	129 Å²	129	74.1 Å²	74.1	56%	0.561	37%	0.373	S	S	*	.	H	α-helix	trans	-60.7	-46.3	176.6	-171.4	177.8	-179.6	-174.9	0	111.9	D72 I80	D72-K76 WeakPolarHBondContact O-CB 3.4Å; D72-K76 PolarHBondContact O-N 3.14Å; K76-I80 HydrophobicContact CG-CD1 4.24Å; K76-I80 WeakPolarHBondContact O-CD1 3.5Å; K76-I80 WeakPolarHBondContact O-CG1 3.43Å; K76-I80 PolarHBondContact O-N 2.87Å; K76-I80 VanDerWaalsContact O-N 3.16Å
77	A	70.7	Confident	66.7	Low	3 Å²	3	76.3 Å²	76.3	3%	0.025	38%	0.381	C	S	.	.	H	α-helix	trans	-67.8	-44.8	179.7	0	0	0	0	0	112.1	C47 Q73 V74 E75 S79 I80 F81 I102	C47-A77 HydrophobicContact CB-CB 4.38Å; Q73-A77 WeakPolarHBondContact O-CB 3.49Å; Q73-A77 PolarHBondContact O-N 2.77Å; V74-A77 PolarHBondContact O-N 3.33Å; E75-A77 PolarHBondContact O-N 3.16Å; A77-S79 VanDerWaalsContact C-N 3.31Å; A77-S79 PolarHBondContact O-N 3.22Å; A77-I80 PolarHBondContact O-N 3.22Å; A77-F81 WeakPolarHBondContact O-CD2 3.46Å; A77-F81 PolarHBondContact O-N 3.14Å; A77-I102 HydrophobicContact CB-CD1 3.72Å; A77-I102 HydrophobicContact CB-CG1 4.48Å
78	A	71.7	Confident	66.9	Low	30 Å²	30	76.3 Å²	76.3	25%	0.248	38%	0.378	C	S	.	.	H	α-helix	trans	-62	-40.1	177.7	0	0	0	0	0	111.1	V74 E75 A82 I102	V74-A78 WeakPolarHBondContact O-CB 3.28Å; V74-A78 PolarHBondContact O-N 3.4Å; E75-A78 PolarHBondContact O-N 3.26Å; A78-A82 WeakPolarHBondContact O-CB 3.36Å; A78-A82 PolarHBondContact O-N 2.96Å; A78-I102 HydrophobicContact CB-CD1 4.05Å
79	S	73.8	Confident	67.5	Low	59 Å²	59	74.3 Å²	74.3	41%	0.413	36%	0.363	S	S	.	.	H	α-helix	trans	-62.7	-44.2	176.6	-176	0	0	0	0	112.5	E75 A77 R83	E75-S79 WeakPolarHBondContact O-CB 3.42Å; E75-S79 PolarHBondContact O-N 3.01Å; A77-S79 VanDerWaalsContact C-N 3.31Å; A77-S79 PolarHBondContact O-N 3.22Å; S79-R83 WeakPolarHBondContact O-CB 3.3Å; S79-R83 PolarHBondContact O-N 2.91Å
80	I	75.2	Confident	67.8	Low	25 Å²	25	76.9 Å²	76.9	13%	0.128	40%	0.395	C	S	.	.	H	α-helix	trans	-63.2	-49.9	178.2	-70.9	164.5	0	0	0	110.4	F40 E43 C47 K76 A77 R84	F40-I80 HydrophobicContact CD2-CG2 4.36Å; F40-I80 HydrophobicContact CE2-CG2 3.95Å; E43-I80 HydrophobicContact CB-CD1 4.49Å; E43-I80 HydrophobicContact CB-CG2 4.14Å; C47-I80 WeakPolarHBondContact SG-CD1 3.46Å; K76-I80 HydrophobicContact CG-CD1 4.24Å; K76-I80 WeakPolarHBondContact O-CD1 3.5Å; K76-I80 WeakPolarHBondContact O-CG1 3.43Å; K76-I80 PolarHBondContact O-N 2.87Å; K76-I80 VanDerWaalsContact O-N 3.16Å; A77-I80 PolarHBondContact O-N 3.22Å; I80-R84 PolarHBondContact O-N 3.41Å; I80-R84 VanDerWaalsContact O-N 3.14Å
81	F	78.2	Confident	67.8	Low	6 Å²	6	74.9 Å²	74.9	3%	0.026	38%	0.381	C	S	.	.	H	α-helix	trans	-69.7	-42.8	-179.4	-68.4	-54.3	0	0	0	112.9	F40 V44 A77 R83 R84 W85 A95 L99 I102	F40-F81 HydrophobicContact CZ-CD1 4.13Å; F40-F81 HydrophobicContact CZ-CE1 4.46Å; V44-F81 HydrophobicContact CB-CE1 4.46Å; V44-F81 HydrophobicContact CG1-CE1 4.15Å; V44-F81 HydrophobicContact CG1-CZ 4.25Å; V44-F81 HydrophobicContact CG2-CD1 4.33Å; V44-F81 HydrophobicContact CG2-CE1 3.59Å; V44-F81 HydrophobicContact CG2-CZ 4.28Å; A77-F81 WeakPolarHBondContact O-CD2 3.46Å; A77-F81 PolarHBondContact O-N 3.14Å; F81-R83 VanDerWaalsContact C-N 3.32Å; F81-R83 PolarHBondContact O-N 3.41Å; F81-R84 PolarHBondContact O-N 2.72Å; F81-W85 VanDerWaalsContact O-CB 3.28Å; F81-W85 WeakPolarHBondContact O-CB 3.25Å; F81-W85 PolarHBondContact O-N 3Å; F81-A95 HydrophobicContact CB-CB 4.49Å; F81-A95 WeakPolarHBondContact CB-O 3.36Å; F81-A95 HydrophobicContact CD1-CB 4.31Å; F81-A95 WeakPolarHBondContact O-CB 3.07Å; F81-L99 HydrophobicContact CB-CD2 3.83Å; F81-L99 HydrophobicContact CB-CG 3.81Å; F81-I102 HydrophobicContact CD2-CD1 3.7Å; F81-I102 HydrophobicContact CE2-CD1 4.16Å
82	A	70.5	Confident	68	Low	20 Å²	20	70.3 Å²	70.3	17%	0.165	36%	0.357	C	S	.	.	H	α-helix	trans	-63.7	-38.3	177.1	0	0	0	0	0	111.7	A78 W85 K86 L99	A78-A82 WeakPolarHBondContact O-CB 3.36Å; A78-A82 PolarHBondContact O-N 2.96Å; A82-W85 PolarHBondContact O-N 3.11Å; A82-K86 VanDerWaalsContact O-CG 3.28Å; A82-K86 WeakPolarHBondContact O-CG 3.37Å; A82-K86 PolarHBondContact O-N 2.7Å; A82-L99 HydrophobicContact CB-CD2 4.31Å
83	R	73.3	Confident	67.6	Low	163 Å²	163	70.5 Å²	70.5	62%	0.615	35%	0.354	S	S	*	.	H	α-helix	trans	-62	-47	175.3	-172.4	-174.8	-57.3	-177.4	2.4	111.2	S79 F81 K86	S79-R83 WeakPolarHBondContact O-CB 3.3Å; S79-R83 PolarHBondContact O-N 2.91Å; F81-R83 VanDerWaalsContact C-N 3.32Å; F81-R83 PolarHBondContact O-N 3.41Å; R83-K86 PolarHBondContact O-N 3.43Å
84	R	69.8	Low	67.7	Low	28 Å²	28	70.5 Å²	70.5	11%	0.106	36%	0.358	C	S	.	.	H	α-helix	trans	-69.3	-39.3	178.6	-162.7	80.7	-167.5	173.6	-6.8	111.8	E36 F40 I80 F81 K86 L87 D89 L91 S92 A95	E36-R84 IonicContact OE2-NH1 2.97Å; F40-R84 HydrophobicContact CD1-CG 4.13Å; F40-R84 HydrophobicContact CD2-CB 3.98Å; F40-R84 HydrophobicContact CD2-CG 3.88Å; F40-R84 HydrophobicContact CE1-CB 4.41Å; F40-R84 HydrophobicContact CE1-CG 3.87Å; F40-R84 HydrophobicContact CE2-CB 3.38Å; F40-R84 HydrophobicContact CE2-CG 3.61Å; F40-R84 HydrophobicContact CG-CG 4.13Å; F40-R84 HydrophobicContact CZ-CB 3.63Å; F40-R84 HydrophobicContact CZ-CG 3.6Å; I80-R84 PolarHBondContact O-N 3.41Å; I80-R84 VanDerWaalsContact O-N 3.14Å; F81-R84 PolarHBondContact O-N 2.72Å; R84-K86 VanDerWaalsContact C-N 3.27Å; R84-K86 PolarHBondContact O-N 3.06Å; R84-L87 WeakPolarHBondContact O-CB 3.33Å; R84-L87 PolarHBondContact O-N 2.94Å; R84-D89 IonicContact CZ-OD2 2.88Å; R84-D89 IonicContact NE-OD1 3.76Å; R84-D89 IonicContact NE-OD2 2.7Å; R84-D89 PolarHBondContact NE-OD2 3.05Å; R84-D89 IonicContact NH2-OD2 3.78Å; R84-D89 PolarHBondContact NH2-OD2 2.93Å; R84-L91 HydrophobicContact CG-CB 4.28Å; R84-S92 PolarHBondContact O-OG 3.22Å; R84-S92 VanDerWaalsContact O-OG 3.09Å; R84-A95 HydrophobicContact CB-CB 3.82Å; R84-A95 HydrophobicContact CG-CB 4.25Å
85	W	67.7	Low	67.7	Low	94 Å²	94	69.9 Å²	69.9	36%	0.356	35%	0.354	S	S	.	.	H	α-helix	trans	-56	-40.2	173.9	176	-120	0	0	0	112.5	F81 A82 L87 K88 S92 A95 F96 L99	F81-W85 VanDerWaalsContact O-CB 3.28Å; F81-W85 WeakPolarHBondContact O-CB 3.25Å; F81-W85 PolarHBondContact O-N 3Å; A82-W85 PolarHBondContact O-N 3.11Å; W85-L87 PolarHBondContact O-N 2.71Å; W85-K88 PolarHBondContact O-N 3.08Å; W85-S92 VanDerWaalsContact CE3-O 3.23Å; W85-A95 HydrophobicContact CB-CB 4.26Å; W85-F96 HydrophobicContact CD2-CB 4.39Å; W85-F96 HydrophobicContact CD2-CD2 4.26Å; W85-F96 HydrophobicContact CE3-CB 3.74Å; W85-F96 HydrophobicContact CE3-CD2 4.28Å; W85-F96 HydrophobicContact CE3-CG 4.39Å; W85-F96 HydrophobicContact CH2-CB 4.3Å; W85-F96 AromaticContact CH2-CD2 3.93Å; W85-F96 HydrophobicContact CH2-CD2 3.93Å; W85-F96 HydrophobicContact CH2-CG 4.2Å; W85-F96 AromaticContact CZ2-CD2 3.89Å; W85-F96 HydrophobicContact CZ2-CD2 3.89Å; W85-F96 HydrophobicContact CZ2-CE2 4.33Å; W85-F96 HydrophobicContact CZ3-CB 3.69Å; W85-F96 HydrophobicContact CZ3-CD2 4.13Å; W85-F96 HydrophobicContact CZ3-CG 4.09Å; W85-L99 HydrophobicContact CB-CD1 4.19Å; W85-L99 HydrophobicContact CG-CD1 4.25Å
86	K	61.2	Low	67.6	Low	159 Å²	159	65.7 Å²	65.7	69%	0.691	33%	0.334	S	S	*	.	H	α-helix	trans	-63.7	-22.9	176.5	-76.7	174.6	-177	-178.6	0	113.8	A82 R83 R84 K88	A82-K86 VanDerWaalsContact O-CG 3.28Å; A82-K86 WeakPolarHBondContact O-CG 3.37Å; A82-K86 PolarHBondContact O-N 2.7Å; R83-K86 PolarHBondContact O-N 3.43Å; R84-K86 VanDerWaalsContact C-N 3.27Å; R84-K86 PolarHBondContact O-N 3.06Å; K86-K88 VanDerWaalsContact C-N 3.28Å; K86-K88 PolarHBondContact O-N 3.45Å
87	L	67.9	Low	67	Low	102 Å²	102	64.9 Å²	64.9	53%	0.534	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-16.6	178.9	-60.4	176.8	0	0	0	112.9	R84 W85 D89	R84-L87 WeakPolarHBondContact O-CB 3.33Å; R84-L87 PolarHBondContact O-N 2.94Å; W85-L87 PolarHBondContact O-N 2.71Å; L87-D89 PolarHBondContact O-N 3.22Å
88	K	56.6	Low	66.7	Low	163 Å²	163	64.9 Å²	64.9	71%	0.709	33%	0.331	S	S	*	.			trans	50.4	37.4	178.2	-61.5	-175.1	177.9	-178.2	0	113.8	W85 K86 S92	W85-K88 PolarHBondContact O-N 3.08Å; K86-K88 VanDerWaalsContact C-N 3.28Å; K86-K88 PolarHBondContact O-N 3.45Å; K88-S92 VanDerWaalsContact CA-OG 3.24Å; K88-S92 WeakPolarHBondContact CA-OG 3.29Å; K88-S92 PolarHBondContact N-OG 3.41Å; K88-S92 VanDerWaalsContact N-OG 3.12Å
89	D	65.1	Low	66.5	Low	51 Å²	51	64 Å²	64	27%	0.273	32%	0.322	S	S	.	.	S	Bend	trans	-98.3	-177.5	179.9	75.4	-24	0	0	0	112.7	R84 L87 L91 S92	R84-D89 IonicContact CZ-OD2 2.88Å; R84-D89 IonicContact NE-OD1 3.76Å; R84-D89 IonicContact NE-OD2 2.7Å; R84-D89 PolarHBondContact NE-OD2 3.05Å; R84-D89 IonicContact NH2-OD2 3.78Å; R84-D89 PolarHBondContact NH2-OD2 2.93Å; L87-D89 PolarHBondContact O-N 3.22Å; D89-L91 PolarHBondContact O-N 3.46Å; D89-L91 VanDerWaalsContact O-N 3.08Å; D89-L91 PolarHBondContact OD1-N 3.16Å; D89-S92 PolarHBondContact N-OG 2.83Å; D89-S92 WeakPolarHBondContact O-CB 3.3Å; D89-S92 PolarHBondContact O-N 3.37Å; D89-S92 PolarHBondContact O-OG 2.93Å; D89-S92 PolarHBondContact OD1-N 2.97Å; D89-S92 PolarHBondContact OD1-OG 3.31Å
90	G	63.1	Low	65.7	Low	77 Å²	77	64.1 Å²	64.1	79%	0.794	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-15.5	178.7	0	0	0	0	0	115.2
91	L	64.6	Low	64.9	Low	35 Å²	35	67.2 Å²	67.2	18%	0.183	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-8	175.7	-68.1	171.7	0	0	0	113	A37 F40 R84 D89 E93 V94 A95	A37-L91 HydrophobicContact CB-CD1 3.76Å; F40-L91 HydrophobicContact CB-CD1 4.4Å; F40-L91 HydrophobicContact CD1-CB 4.09Å; F40-L91 HydrophobicContact CD1-CD1 3.95Å; F40-L91 HydrophobicContact CD1-CD2 4.5Å; F40-L91 HydrophobicContact CD1-CG 4.41Å; F40-L91 HydrophobicContact CE1-CB 4.16Å; R84-L91 HydrophobicContact CG-CB 4.28Å; D89-L91 PolarHBondContact O-N 3.46Å; D89-L91 VanDerWaalsContact O-N 3.08Å; D89-L91 PolarHBondContact OD1-N 3.16Å; L91-E93 PolarHBondContact O-N 2.88Å; L91-V94 WeakPolarHBondContact O-CB 3.33Å; L91-V94 PolarHBondContact O-N 2.93Å; L91-A95 PolarHBondContact O-N 3.5Å
92	S	64	Low	64	Low	6 Å²	6	67.3 Å²	67.3	4%	0.042	34%	0.335	C	S	.	.	H	α-helix	trans	-61.5	-30	179.5	-66.8	0	0	0	0	112.2	R84 W85 K88 D89 A95 F96	R84-S92 PolarHBondContact O-OG 3.22Å; R84-S92 VanDerWaalsContact O-OG 3.09Å; W85-S92 VanDerWaalsContact CE3-O 3.23Å; K88-S92 VanDerWaalsContact CA-OG 3.24Å; K88-S92 WeakPolarHBondContact CA-OG 3.29Å; K88-S92 PolarHBondContact N-OG 3.41Å; K88-S92 VanDerWaalsContact N-OG 3.12Å; D89-S92 PolarHBondContact N-OG 2.83Å; D89-S92 WeakPolarHBondContact O-CB 3.3Å; D89-S92 PolarHBondContact O-N 3.37Å; D89-S92 PolarHBondContact O-OG 2.93Å; D89-S92 PolarHBondContact OD1-N 2.97Å; D89-S92 PolarHBondContact OD1-OG 3.31Å; S92-A95 WeakPolarHBondContact O-CB 3.18Å; S92-A95 PolarHBondContact O-N 3.46Å; S92-F96 PolarHBondContact O-N 3.05Å
93	E	58.5	Low	63.3	Low	122 Å²	122	67.2 Å²	67.2	57%	0.57	33%	0.332	S	S	*	.	H	α-helix	trans	-63.5	-41.8	173.4	-165.6	-164.9	144.1	0	0	112.3	L91 A95 F96 K97	L91-E93 PolarHBondContact O-N 2.88Å; E93-A95 VanDerWaalsContact C-N 3.29Å; E93-F96 PolarHBondContact O-N 3.47Å; E93-K97 WeakPolarHBondContact O-CG 3.33Å; E93-K97 PolarHBondContact O-N 2.8Å; E93-K97 VanDerWaalsContact OE1-CE 3.3Å; E93-K97 WeakPolarHBondContact OE1-CE 3.37Å; E93-K97 IonicContact OE1-NZ 3.26Å; E93-K97 PolarHBondContact OE1-NZ 3.24Å
94	V	66.4	Low	62.4	Low	64 Å²	64	63.7 Å²	63.7	39%	0.388	32%	0.322	S	S	.	.	H	α-helix	trans	-64.7	-40.2	175.1	-179.1	0	0	0	0	109.8	F40 L91 K97 G98	F40-V94 HydrophobicContact CE1-CB 4.41Å; F40-V94 HydrophobicContact CE1-CG1 4.34Å; L91-V94 WeakPolarHBondContact O-CB 3.33Å; L91-V94 PolarHBondContact O-N 2.93Å; V94-K97 PolarHBondContact O-N 3.14Å; V94-G98 PolarHBondContact O-N 3.14Å
95	A	66.9	Low	61.6	Low	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-63.3	-41.8	177.5	0	0	0	0	0	112.7	F40 F81 R84 W85 L91 S92 E93 G98 L99	F40-A95 HydrophobicContact CZ-CB 3.95Å; F81-A95 HydrophobicContact CB-CB 4.49Å; F81-A95 WeakPolarHBondContact CB-O 3.36Å; F81-A95 HydrophobicContact CD1-CB 4.31Å; F81-A95 WeakPolarHBondContact O-CB 3.07Å; R84-A95 HydrophobicContact CB-CB 3.82Å; R84-A95 HydrophobicContact CG-CB 4.25Å; W85-A95 HydrophobicContact CB-CB 4.26Å; L91-A95 PolarHBondContact O-N 3.5Å; S92-A95 WeakPolarHBondContact O-CB 3.18Å; S92-A95 PolarHBondContact O-N 3.46Å; E93-A95 VanDerWaalsContact C-N 3.29Å; A95-G98 WeakPolarHBondContact O-CA 3.01Å; A95-G98 PolarHBondContact O-N 3.32Å; A95-L99 PolarHBondContact O-N 3.43Å
96	F	62.9	Low	61	Low	44 Å²	44	60.8 Å²	60.8	19%	0.193	31%	0.314	C	S	.	.	H	α-helix	trans	-64.4	-41.8	175.5	-173.1	-106.3	0	0	0	112.6	W85 S92 E93 G98 L99 L100 V122	W85-F96 HydrophobicContact CD2-CB 4.39Å; W85-F96 HydrophobicContact CD2-CD2 4.26Å; W85-F96 HydrophobicContact CE3-CB 3.74Å; W85-F96 HydrophobicContact CE3-CD2 4.28Å; W85-F96 HydrophobicContact CE3-CG 4.39Å; W85-F96 HydrophobicContact CH2-CB 4.3Å; W85-F96 AromaticContact CH2-CD2 3.93Å; W85-F96 HydrophobicContact CH2-CD2 3.93Å; W85-F96 HydrophobicContact CH2-CG 4.2Å; W85-F96 AromaticContact CZ2-CD2 3.89Å; W85-F96 HydrophobicContact CZ2-CD2 3.89Å; W85-F96 HydrophobicContact CZ2-CE2 4.33Å; W85-F96 HydrophobicContact CZ3-CB 3.69Å; W85-F96 HydrophobicContact CZ3-CD2 4.13Å; W85-F96 HydrophobicContact CZ3-CG 4.09Å; S92-F96 PolarHBondContact O-N 3.05Å; E93-F96 PolarHBondContact O-N 3.47Å; F96-G98 VanDerWaalsContact C-N 3.25Å; F96-G98 PolarHBondContact O-N 3.42Å; F96-L99 PolarHBondContact O-N 3.25Å; F96-L100 HydrophobicContact CD1-CD1 3.9Å; F96-L100 HydrophobicContact CD1-CG 4.36Å; F96-L100 HydrophobicContact CE1-CD1 3.56Å; F96-L100 HydrophobicContact CE1-CG 4.05Å; F96-L100 HydrophobicContact CZ-CD1 4.27Å; F96-L100 HydrophobicContact CZ-CD2 4.45Å; F96-L100 HydrophobicContact CZ-CG 4.34Å; F96-L100 PolarHBondContact O-N 3Å; F96-V122 HydrophobicContact CE2-CG1 4.44Å; F96-V122 HydrophobicContact CE2-CG2 3.89Å; F96-V122 HydrophobicContact CZ-CG1 4.13Å; F96-V122 HydrophobicContact CZ-CG2 4.23Å
97	K	59.2	Low	60.3	Low	111 Å²	111	58.9 Å²	58.9	48%	0.483	31%	0.311	S	S	.	.	H	α-helix	trans	-59	-38.9	172.2	-71.7	173.1	-173.1	164.6	0	111.6	E93 V94 L100 L101	E93-K97 WeakPolarHBondContact O-CG 3.33Å; E93-K97 PolarHBondContact O-N 2.8Å; E93-K97 VanDerWaalsContact OE1-CE 3.3Å; E93-K97 WeakPolarHBondContact OE1-CE 3.37Å; E93-K97 IonicContact OE1-NZ 3.26Å; E93-K97 PolarHBondContact OE1-NZ 3.24Å; V94-K97 PolarHBondContact O-N 3.14Å; K97-L100 PolarHBondContact O-N 2.62Å; K97-L101 PolarHBondContact O-N 3.23Å
98	G	64	Low	59.4	Low	4 Å²	4	57.2 Å²	57.2	4%	0.041	31%	0.312	C	S	.	.	H	α-helix	trans	-61.1	-45	172.6	0	0	0	0	0	113.4	V94 A95 F96 L100 L101 I102	V94-G98 PolarHBondContact O-N 3.14Å; A95-G98 WeakPolarHBondContact O-CA 3.01Å; A95-G98 PolarHBondContact O-N 3.32Å; F96-G98 VanDerWaalsContact C-N 3.25Å; F96-G98 PolarHBondContact O-N 3.42Å; G98-L100 PolarHBondContact O-N 2.8Å; G98-L101 PolarHBondContact O-N 2.78Å; G98-I102 WeakPolarHBondContact O-CG1 3.4Å; G98-I102 PolarHBondContact O-N 3.43Å
99	L	67.1	Low	58.9	Low	11 Å²	11	55 Å²	55	6%	0.058	30%	0.3	C	S	.	.	H	α-helix	trans	-63	-38.7	175.1	-68.7	172.1	0	0	0	112.6	F81 A82 W85 A95 F96 I102 L103 T118	F81-L99 HydrophobicContact CB-CD2 3.83Å; F81-L99 HydrophobicContact CB-CG 3.81Å; A82-L99 HydrophobicContact CB-CD2 4.31Å; W85-L99 HydrophobicContact CB-CD1 4.19Å; W85-L99 HydrophobicContact CG-CD1 4.25Å; A95-L99 PolarHBondContact O-N 3.43Å; F96-L99 PolarHBondContact O-N 3.25Å; L99-I102 PolarHBondContact O-N 3.11Å; L99-L103 PolarHBondContact O-N 2.77Å; L99-T118 HydrophobicContact CB-CG2 4.43Å
100	L	58.2	Low	57.9	Low	61 Å²	61	60.2 Å²	60.2	32%	0.319	32%	0.322	S	S	.	.	H	α-helix	trans	-64.9	-42	175	-74.7	174.7	0	0	0	112.2	F96 K97 G98 I102 L103 E104	F96-L100 HydrophobicContact CD1-CD1 3.9Å; F96-L100 HydrophobicContact CD1-CG 4.36Å; F96-L100 HydrophobicContact CE1-CD1 3.56Å; F96-L100 HydrophobicContact CE1-CG 4.05Å; F96-L100 HydrophobicContact CZ-CD1 4.27Å; F96-L100 HydrophobicContact CZ-CD2 4.45Å; F96-L100 HydrophobicContact CZ-CG 4.34Å; F96-L100 PolarHBondContact O-N 3Å; K97-L100 PolarHBondContact O-N 2.62Å; G98-L100 PolarHBondContact O-N 2.8Å; L100-I102 VanDerWaalsContact C-N 3.32Å; L100-I102 PolarHBondContact O-N 2.94Å; L100-L103 WeakPolarHBondContact O-CB 3.23Å; L100-L103 PolarHBondContact O-N 2.68Å; L100-E104 WeakPolarHBondContact O-CG 3.3Å; L100-E104 PolarHBondContact O-N 2.88Å
101	L	57.4	Low	56.5	Low	91 Å²	91	58.7 Å²	58.7	48%	0.476	30%	0.298	S	S	.	.	H	α-helix	trans	-62	-39.6	174.7	-79.6	164.3	0	0	0	112	K97 G98 E104 H105	K97-L101 PolarHBondContact O-N 3.23Å; G98-L101 PolarHBondContact O-N 2.78Å; L101-E104 PolarHBondContact O-N 3.44Å; L101-H105 WeakPolarHBondContact O-CB 3.26Å; L101-H105 PolarHBondContact O-N 2.88Å
102	I	60.2	Low	55.3	Low	7 Å²	7	63 Å²	63	4%	0.036	33%	0.325	C	S	.	.	H	α-helix	trans	-63.8	-43.5	174.1	-68.8	169.8	0	0	0	110.6	V74 A77 A78 F81 G98 L99 L100 H105 L106	V74-I102 HydrophobicContact CG1-CG2 3.86Å; A77-I102 HydrophobicContact CB-CD1 3.72Å; A77-I102 HydrophobicContact CB-CG1 4.48Å; A78-I102 HydrophobicContact CB-CD1 4.05Å; F81-I102 HydrophobicContact CD2-CD1 3.7Å; F81-I102 HydrophobicContact CE2-CD1 4.16Å; G98-I102 WeakPolarHBondContact O-CG1 3.4Å; G98-I102 PolarHBondContact O-N 3.43Å; L99-I102 PolarHBondContact O-N 3.11Å; L100-I102 VanDerWaalsContact C-N 3.32Å; L100-I102 PolarHBondContact O-N 2.94Å; I102-H105 PolarHBondContact O-N 3.42Å; I102-L106 HydrophobicContact CG2-CD1 3.89Å; I102-L106 HydrophobicContact CG2-CG 4.27Å; I102-L106 WeakPolarHBondContact O-CB 3.29Å; I102-L106 VanDerWaalsContact O-CG 3.32Å; I102-L106 WeakPolarHBondContact O-CG 3.37Å; I102-L106 PolarHBondContact O-N 3.09Å
103	L	55.8	Low	54.1	Low	19 Å²	19	68.7 Å²	68.7	10%	0.099	36%	0.355	C	S	.	.	H	α-helix	trans	-61.9	-44.8	176.2	-177.7	57.7	0	0	0	111.7	L99 L100 H105 L106 L107 T118	L99-L103 PolarHBondContact O-N 2.77Å; L100-L103 WeakPolarHBondContact O-CB 3.23Å; L100-L103 PolarHBondContact O-N 2.68Å; L103-H105 VanDerWaalsContact C-N 3.32Å; L103-H105 PolarHBondContact O-N 3.33Å; L103-L106 PolarHBondContact O-N 3.36Å; L103-L107 HydrophobicContact CD1-CD1 4.1Å; L103-L107 HydrophobicContact CD1-CG 4.19Å; L103-L107 HydrophobicContact CG-CD1 3.96Å; L103-L107 HydrophobicContact CG-CG 4.48Å; L103-L107 WeakPolarHBondContact O-CB 3.45Å; L103-L107 WeakPolarHBondContact O-CG 3.11Å; L103-L107 PolarHBondContact O-N 2.88Å; L103-T118 HydrophobicContact CB-CG2 3.94Å; L103-T118 HydrophobicContact CD1-CG2 4.46Å; L103-T118 HydrophobicContact CD2-CG2 4.37Å; L103-T118 HydrophobicContact CG-CG2 4.48Å
104	E	53.7	Low	52.8	Low	89 Å²	89	66.9 Å²	66.9	42%	0.416	35%	0.347	S	S	.	.	H	α-helix	trans	-58.1	-44.4	174.1	-76.2	-179.2	171.7	0	0	111.2	L100 L101 L107 A108 L144	L100-E104 WeakPolarHBondContact O-CG 3.3Å; L100-E104 PolarHBondContact O-N 2.88Å; L101-E104 PolarHBondContact O-N 3.44Å; E104-L107 PolarHBondContact O-N 3.04Å; E104-A108 VanDerWaalsContact O-CB 3.3Å; E104-A108 WeakPolarHBondContact O-CB 3.32Å; E104-A108 PolarHBondContact O-N 3.02Å; E104-L144 WeakPolarHBondContact OE1-CD1 3.43Å
105	H	53.5	Low	51.2	Low	51 Å²	51	65 Å²	65	24%	0.236	34%	0.338	C	S	.	.	H	α-helix	trans	-65.9	-44.4	178	-167.5	91.9	0	0	0	112.5	L69 L101 I102 L103 L107 A108 Y109	L69-H105 WeakPolarHBondContact CD1-CD2 3.39Å; L69-H105 VanDerWaalsContact CD1-NE2 3.34Å; L69-H105 WeakPolarHBondContact CD1-NE2 3.36Å; L69-H105 WeakPolarHBondContact CG-NE2 3.43Å; L101-H105 WeakPolarHBondContact O-CB 3.26Å; L101-H105 PolarHBondContact O-N 2.88Å; I102-H105 PolarHBondContact O-N 3.42Å; L103-H105 VanDerWaalsContact C-N 3.32Å; L103-H105 PolarHBondContact O-N 3.33Å; H105-L107 VanDerWaalsContact C-N 3.3Å; H105-L107 PolarHBondContact O-N 3.39Å; H105-A108 PolarHBondContact O-N 3.49Å; H105-A108 VanDerWaalsContact O-N 3.11Å; H105-Y109 AromaticContact CE1-CD2 3.64Å; H105-Y109 AromaticContact NE2-CD2 3.81Å; H105-Y109 PolarHBondContact O-N 3.27Å
106	L	54.1	Low	49.7	Very low	10 Å²	10	68 Å²	68	5%	0.052	36%	0.359	C	S	.	.	H	α-helix	trans	-61.7	-37.9	176.8	-76.5	173.6	0	0	0	112.3	V74 I102 L103 A108 V111 H114	V74-L106 HydrophobicContact CG1-CD1 4.33Å; V74-L106 HydrophobicContact CG1-CD2 4.12Å; V74-L106 HydrophobicContact CG1-CG 4.37Å; I102-L106 HydrophobicContact CG2-CD1 3.89Å; I102-L106 HydrophobicContact CG2-CG 4.27Å; I102-L106 WeakPolarHBondContact O-CB 3.29Å; I102-L106 VanDerWaalsContact O-CG 3.32Å; I102-L106 WeakPolarHBondContact O-CG 3.37Å; I102-L106 PolarHBondContact O-N 3.09Å; L103-L106 PolarHBondContact O-N 3.36Å; L106-A108 VanDerWaalsContact C-N 3.34Å; L106-V111 HydrophobicContact CD2-CB 3.91Å; L106-V111 HydrophobicContact CD2-CG1 4.36Å; L106-H114 HydrophobicContact CD1-CB 3.95Å
107	L	47.9	Very low	48.3	Very low	119 Å²	119	71 Å²	71	62%	0.623	38%	0.376	S	S	*	.	H	α-helix	trans	-71.3	-30	174.8	-70.9	170.2	0	0	0	112.3	L103 E104 H105	L103-L107 HydrophobicContact CD1-CD1 4.1Å; L103-L107 HydrophobicContact CD1-CG 4.19Å; L103-L107 HydrophobicContact CG-CD1 3.96Å; L103-L107 HydrophobicContact CG-CG 4.48Å; L103-L107 WeakPolarHBondContact O-CB 3.45Å; L103-L107 WeakPolarHBondContact O-CG 3.11Å; L103-L107 PolarHBondContact O-N 2.88Å; E104-L107 PolarHBondContact O-N 3.04Å; H105-L107 VanDerWaalsContact C-N 3.3Å; H105-L107 PolarHBondContact O-N 3.39Å
108	A	48.6	Very low	47	Very low	67 Å²	67	66.5 Å²	66.5	55%	0.554	36%	0.358	S	S	*	.	H	α-helix	trans	-81	-30.5	179.9	0	0	0	0	0	114	E104 H105 L106	E104-A108 VanDerWaalsContact O-CB 3.3Å; E104-A108 WeakPolarHBondContact O-CB 3.32Å; E104-A108 PolarHBondContact O-N 3.02Å; H105-A108 PolarHBondContact O-N 3.49Å; H105-A108 VanDerWaalsContact O-N 3.11Å; L106-A108 VanDerWaalsContact C-N 3.34Å
109	Y	45.5	Very low	45.7	Very low	116 Å²	116	70.3 Å²	70.3	46%	0.455	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.5	35.7	-171.1	-78.3	-79.4	0	0	0	115.7	H105 V111	H105-Y109 AromaticContact CE1-CD2 3.64Å; H105-Y109 AromaticContact NE2-CD2 3.81Å; H105-Y109 PolarHBondContact O-N 3.27Å; Y109-V111 PolarHBondContact O-N 2.72Å; Y109-V111 VanDerWaalsContact O-N 3.11Å
110	E	43.5	Very low	44.1	Very low	160 Å²	160	77.1 Å²	77.1	75%	0.748	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	25.9	159.8	-59.1	-171.5	156.2	0	0	117.9	T112	E110-T112 PolarHBondContact O-N 3.37Å
111	V	34.7	Very low	43	Very low	46 Å²	46	77.3 Å²	77.3	28%	0.279	41%	0.405	S	S	.	.			trans	-91.8	98.2	171.6	-174.5	0	0	0	0	110.3	L106 Y109 N113	L106-V111 HydrophobicContact CD2-CB 3.91Å; L106-V111 HydrophobicContact CD2-CG1 4.36Å; Y109-V111 PolarHBondContact O-N 2.72Å; Y109-V111 VanDerWaalsContact O-N 3.11Å; V111-N113 VanDerWaalsContact C-N 3.33Å; V111-N113 PolarHBondContact O-N 3.47Å
112	T	40.1	Very low	42.2	Very low	124 Å²	124	74.6 Å²	74.6	76%	0.761	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-13.7	-167.8	42.1	0	0	0	0	116.2	E110	E110-T112 PolarHBondContact O-N 3.37Å
113	N	37.1	Very low	41.1	Very low	126 Å²	126	78 Å²	78	67%	0.674	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-12.7	-168.5	-82.1	-23.3	0	0	0	116.6	V111	V111-N113 VanDerWaalsContact C-N 3.33Å; V111-N113 PolarHBondContact O-N 3.47Å
114	H	32.3	Very low	40.1	Very low	84 Å²	84	81.1 Å²	81.1	39%	0.389	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	-10.2	-173.4	-70.6	-63.3	0	0	0	116.3	L106 S116 L117	L106-H114 HydrophobicContact CD1-CB 3.95Å; H114-S116 PolarHBondContact O-N 2.89Å; H114-S116 VanDerWaalsContact O-N 3.16Å; H114-L117 PolarHBondContact O-N 3.2Å; H114-L117 VanDerWaalsContact O-N 3.16Å
115	A	33.3	Very low	39.1	Very low	24 Å²	24	79.2 Å²	79.2	20%	0.198	44%	0.443	C	S	.	.	H	α-helix	trans	-58.2	-31	178	0	0	0	0	0	113.1	L119	A115-L119 WeakPolarHBondContact O-CB 3.22Å; A115-L119 WeakPolarHBondContact O-CD1 3.35Å; A115-L119 PolarHBondContact O-N 3.32Å; A115-L119 VanDerWaalsContact O-N 3.13Å
116	S	35.1	Very low	38.2	Very low	65 Å²	65	81.7 Å²	81.7	46%	0.455	45%	0.45	S	S	.	.	H	α-helix	trans	-67.9	-32.2	179.2	43.8	0	0	0	0	113.9	H114 Y120	H114-S116 PolarHBondContact O-N 2.89Å; H114-S116 VanDerWaalsContact O-N 3.16Å; S116-Y120 WeakPolarHBondContact O-CB 3.43Å; S116-Y120 PolarHBondContact O-N 2.85Å; S116-Y120 VanDerWaalsContact O-N 3.11Å
117	L	32.8	Very low	37.2	Very low	106 Å²	106	87.9 Å²	87.9	56%	0.555	48%	0.483	S	S	*	.	H	α-helix	trans	-77	-41.6	-178.2	-110.9	140.2	0	0	0	111.6	H114 Y120 D121	H114-L117 PolarHBondContact O-N 3.2Å; H114-L117 VanDerWaalsContact O-N 3.16Å; L117-Y120 PolarHBondContact O-N 2.98Å; L117-D121 PolarHBondContact O-N 2.99Å
118	T	32.9	Very low	36.6	Very low	16 Å²	16	91 Å²	91	10%	0.098	49%	0.487	C	S	.	.	H	α-helix	trans	-72	-34.8	177.2	-29	0	0	0	0	111.6	L99 L103 Y120 V122	L99-T118 HydrophobicContact CB-CG2 4.43Å; L103-T118 HydrophobicContact CB-CG2 3.94Å; L103-T118 HydrophobicContact CD1-CG2 4.46Å; L103-T118 HydrophobicContact CD2-CG2 4.37Å; L103-T118 HydrophobicContact CG-CG2 4.48Å; T118-Y120 VanDerWaalsContact C-N 3.32Å; T118-Y120 PolarHBondContact O-N 3.17Å; T118-V122 HydrophobicContact CG2-CG2 4.48Å; T118-V122 WeakPolarHBondContact O-CB 3.28Å; T118-V122 WeakPolarHBondContact O-CG2 3.5Å; T118-V122 PolarHBondContact O-N 2.89Å
119	L	35.3	Very low	35.9	Very low	84 Å²	84	92.8 Å²	92.8	44%	0.44	49%	0.486	S	S	.	.	H	α-helix	trans	-63.8	-35.6	171.1	-89.4	160.9	0	0	0	112.5	A115 N123	A115-L119 WeakPolarHBondContact O-CB 3.22Å; A115-L119 WeakPolarHBondContact O-CD1 3.35Å; A115-L119 PolarHBondContact O-N 3.32Å; A115-L119 VanDerWaalsContact O-N 3.13Å; L119-N123 WeakPolarHBondContact O-CB 3.4Å; L119-N123 VanDerWaalsContact O-CG 3.3Å; L119-N123 PolarHBondContact O-N 2.9Å; L119-N123 VanDerWaalsContact O-N 3.11Å; L119-N123 PolarHBondContact O-ND2 3.29Å
120	Y	35.3	Very low	35.3	Very low	154 Å²	154	97.7 Å²	97.7	60%	0.604	50%	0.504	S	S	*	.	H	α-helix	trans	-69	-47.7	177.3	-175.9	-96.6	0	0	0	111.6	S116 L117 T118 V122 N123 A124	S116-Y120 WeakPolarHBondContact O-CB 3.43Å; S116-Y120 PolarHBondContact O-N 2.85Å; S116-Y120 VanDerWaalsContact O-N 3.11Å; L117-Y120 PolarHBondContact O-N 2.98Å; T118-Y120 VanDerWaalsContact C-N 3.32Å; T118-Y120 PolarHBondContact O-N 3.17Å; Y120-V122 VanDerWaalsContact C-N 3.35Å; Y120-V122 PolarHBondContact O-N 2.71Å; Y120-N123 PolarHBondContact O-N 2.74Å; Y120-A124 PolarHBondContact O-N 3.49Å
121	D	33.8	Very low	35	Very low	66 Å²	66	96 Å²	96	35%	0.353	50%	0.496	S	S	.	.	H	α-helix	trans	-68.3	-32	-179	-84.3	-7.3	0	0	0	113	L117	L117-D121 PolarHBondContact O-N 2.99Å
122	V	40	Very low	35	Very low	34 Å²	34	97.6 Å²	97.6	21%	0.206	50%	0.503	C	S	.	.	H	α-helix	trans	-76.5	-36.3	176.8	173.5	0	0	0	0	111.8	F96 T118 Y120	F96-V122 HydrophobicContact CE2-CG1 4.44Å; F96-V122 HydrophobicContact CE2-CG2 3.89Å; F96-V122 HydrophobicContact CZ-CG1 4.13Å; F96-V122 HydrophobicContact CZ-CG2 4.23Å; T118-V122 HydrophobicContact CG2-CG2 4.48Å; T118-V122 WeakPolarHBondContact O-CB 3.28Å; T118-V122 WeakPolarHBondContact O-CG2 3.5Å; T118-V122 PolarHBondContact O-N 2.89Å; Y120-V122 VanDerWaalsContact C-N 3.35Å; Y120-V122 PolarHBondContact O-N 2.71Å
123	N	37.2	Very low	34.8	Very low	77 Å²	77	97.3 Å²	97.3	41%	0.412	49%	0.491	S	S	.	.	H	α-helix	trans	-85.3	-15.5	-175	-77.1	-41.7	0	0	0	114.8	L119 Y120 G125	L119-N123 WeakPolarHBondContact O-CB 3.4Å; L119-N123 VanDerWaalsContact O-CG 3.3Å; L119-N123 PolarHBondContact O-N 2.9Å; L119-N123 VanDerWaalsContact O-N 3.11Å; L119-N123 PolarHBondContact O-ND2 3.29Å; Y120-N123 PolarHBondContact O-N 2.74Å; N123-G125 PolarHBondContact O-N 3.25Å
124	A	35.3	Very low	34.9	Very low	86 Å²	86	95.4 Å²	95.4	71%	0.711	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	5	175.2	0	0	0	0	0	114.2	Y120	Y120-A124 PolarHBondContact O-N 3.49Å
125	G	31.9	Very low	35	Very low	48 Å²	48	95 Å²	95	50%	0.495	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.8	53.1	176	0	0	0	0	0	114.2	N123 N127 R128	N123-G125 PolarHBondContact O-N 3.25Å; G125-N127 VanDerWaalsContact C-N 3.3Å; G125-N127 PolarHBondContact O-N 3.46Å; G125-N127 VanDerWaalsContact O-N 3.13Å; G125-R128 PolarHBondContact O-N 2.85Å
126	R	36.4	Very low	35	Very low	103 Å²	103	97.1 Å²	97.1	39%	0.389	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-23.6	-171.3	-86.7	-169.5	-175.1	150.6	11.7	117.3	R128 Q466 S467 L468	R126-R128 PolarHBondContact O-N 2.89Å; R126-Q466 PolarHBondContact NH2-O 3Å; R126-Q466 VanDerWaalsContact NH2-O 3.14Å; R126-S467 PolarHBondContact NH2-O 3.02Å; R126-L468 PolarHBondContact NH1-O 3.28Å
127	N	31.5	Very low	34.9	Very low	141 Å²	141	100.1 Å²	100.1	75%	0.754	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-13.3	-174.5	-78.4	-5.1	0	0	0	114.9	G125	G125-N127 VanDerWaalsContact C-N 3.3Å; G125-N127 PolarHBondContact O-N 3.46Å; G125-N127 VanDerWaalsContact O-N 3.13Å
128	R	35.3	Very low	35.1	Very low	184 Å²	184	97.2 Å²	97.2	69%	0.694	53%	0.527	S	S	*	.	H	α-helix	trans	-93.1	-15.6	-174.4	-72.9	-175.1	178.4	179.7	0.3	115.4	G125 R126 R130 E131 L132	G125-R128 PolarHBondContact O-N 2.85Å; R126-R128 PolarHBondContact O-N 2.89Å; R128-R130 PolarHBondContact O-N 3.41Å; R128-E131 PolarHBondContact O-N 3.38Å; R128-L132 WeakPolarHBondContact O-CB 3.38Å; R128-L132 PolarHBondContact O-N 3.16Å
129	L	34	Very low	35.2	Very low	104 Å²	104	98.8 Å²	98.8	55%	0.545	54%	0.535	S	S	.	.	H	α-helix	trans	-67.3	-37.5	-176.1	-151.4	88	0	0	0	112.8	L132 F133	L129-L132 PolarHBondContact O-N 3.44Å; L129-F133 HydrophobicContact CD2-CE2 4.01Å; L129-F133 HydrophobicContact CG-CE2 4.12Å; L129-F133 WeakPolarHBondContact O-CD2 3.28Å; L129-F133 PolarHBondContact O-N 3.31Å
130	R	34.7	Very low	35.3	Very low	220 Å²	220	105.6 Å²	105.6	83%	0.83	56%	0.555	S	S	*	*	H	α-helix	trans	-69.2	-43.2	174.2	-92.6	-175.5	177.4	170.1	1.1	112	R128 L132 F133 A134	R128-R130 PolarHBondContact O-N 3.41Å; R130-L132 VanDerWaalsContact C-N 3.29Å; R130-L132 PolarHBondContact O-N 2.86Å; R130-F133 PolarHBondContact O-N 3.37Å; R130-A134 PolarHBondContact O-N 2.77Å
131	E	35.9	Very low	35.4	Very low	125 Å²	125	101 Å²	101	58%	0.584	55%	0.548	S	S	*	.	H	α-helix	trans	-64.8	-34	174.8	-69	178.3	171.6	0	0	111.4	R128 A134 A135	R128-E131 PolarHBondContact O-N 3.38Å; E131-A134 CarbonylContact O-C 3.51Å; E131-A134 PolarHBondContact O-N 2.96Å; E131-A135 WeakPolarHBondContact O-CB 3.27Å; E131-A135 PolarHBondContact O-N 3.11Å
132	L	34.3	Very low	35.6	Very low	79 Å²	79	99.5 Å²	99.5	41%	0.414	54%	0.544	S	S	.	.	H	α-helix	trans	-68.1	-40.5	179.1	-152.6	87.5	0	0	0	112.4	R128 L129 R130 A134 A135 V136 L139	R128-L132 WeakPolarHBondContact O-CB 3.38Å; R128-L132 PolarHBondContact O-N 3.16Å; L129-L132 PolarHBondContact O-N 3.44Å; R130-L132 VanDerWaalsContact C-N 3.29Å; R130-L132 PolarHBondContact O-N 2.86Å; L132-A134 VanDerWaalsContact C-N 3.25Å; L132-A134 PolarHBondContact O-N 3.3Å; L132-A135 PolarHBondContact O-N 3.45Å; L132-V136 PolarHBondContact O-N 2.83Å; L132-L139 HydrophobicContact CD2-CD2 4.02Å; L132-L139 HydrophobicContact CG-CD2 4.45Å
133	F	37.6	Very low	35.4	Very low	118 Å²	118	103.6 Å²	103.6	52%	0.518	56%	0.563	S	S	.	*	H	α-helix	trans	-65.4	-30.6	173.6	-75.1	-54	0	0	0	112.4	L129 R130 L139	L129-F133 HydrophobicContact CD2-CE2 4.01Å; L129-F133 HydrophobicContact CG-CE2 4.12Å; L129-F133 WeakPolarHBondContact O-CD2 3.28Å; L129-F133 PolarHBondContact O-N 3.31Å; R130-F133 PolarHBondContact O-N 3.37Å; F133-L139 HydrophobicContact CD1-CD2 3.7Å; F133-L139 HydrophobicContact CE1-CD2 3.84Å
134	A	38.8	Very low	35.5	Very low	86 Å²	86	104.9 Å²	104.9	71%	0.711	57%	0.57	S	S	*	*	H	α-helix	trans	-82	-36.6	177.6	0	0	0	0	0	112.7	R130 E131 L132	R130-A134 PolarHBondContact O-N 2.77Å; E131-A134 CarbonylContact O-C 3.51Å; E131-A134 PolarHBondContact O-N 2.96Å; L132-A134 VanDerWaalsContact C-N 3.25Å; L132-A134 PolarHBondContact O-N 3.3Å
135	A	33.2	Very low	35.5	Very low	74 Å²	74	101.7 Å²	101.7	61%	0.612	54%	0.543	S	S	*	.	H	α-helix	trans	-83.8	-18.6	-171.2	0	0	0	0	0	114.4	E131 L132 P137	E131-A135 WeakPolarHBondContact O-CB 3.27Å; E131-A135 PolarHBondContact O-N 3.11Å; L132-A135 PolarHBondContact O-N 3.45Å; A135-P137 VanDerWaalsContact O-CD 3.29Å; A135-P137 WeakPolarHBondContact O-CD 3.15Å
136	V	34.5	Very low	35.7	Very low	69 Å²	69	104.8 Å²	104.8	42%	0.418	54%	0.543	S	S	.	.			trans	-120.2	88.4	-174.1	-170.3	0	0	0	0	111.9	L132 G138 L139	L132-V136 PolarHBondContact O-N 2.83Å; V136-G138 PolarHBondContact O-N 2.74Å; V136-L139 HydrophobicContact CB-CB 4.3Å; V136-L139 HydrophobicContact CG1-CB 4.39Å; V136-L139 PolarHBondContact O-N 3.26Å; V136-L139 VanDerWaalsContact O-N 3.09Å
137	P	31.6	Very low	35.8	Very low	129 Å²	129	104.9 Å²	104.9	84%	0.838	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	113.1	165.9	-20.2	31.3	0	0	0	109.6	A135	A135-P137 VanDerWaalsContact O-CD 3.29Å; A135-P137 WeakPolarHBondContact O-CD 3.15Å
138	G	37.2	Very low	36.1	Very low	44 Å²	44	101 Å²	101	45%	0.454	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	120	-18.4	-176.3	0	0	0	0	0	114.4	V136 R140 A141 S142	V136-G138 PolarHBondContact O-N 2.74Å; G138-R140 PolarHBondContact O-N 3.35Å; G138-A141 CarbonylContact O-C 3.49Å; G138-A141 WeakPolarHBondContact O-CA 3.38Å; G138-A141 WeakPolarHBondContact O-CB 3.44Å; G138-A141 PolarHBondContact O-N 3.29Å; G138-S142 PolarHBondContact O-N 3.44Å; G138-S142 VanDerWaalsContact O-N 3.17Å
139	L	35.4	Very low	36.2	Very low	50 Å²	50	98 Å²	98	26%	0.262	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-63.3	-31.1	168.5	-161.8	73.7	0	0	0	110.7	L132 F133 V136 A141 S142 A145	L132-L139 HydrophobicContact CD2-CD2 4.02Å; L132-L139 HydrophobicContact CG-CD2 4.45Å; F133-L139 HydrophobicContact CD1-CD2 3.7Å; F133-L139 HydrophobicContact CE1-CD2 3.84Å; V136-L139 HydrophobicContact CB-CB 4.3Å; V136-L139 HydrophobicContact CG1-CB 4.39Å; V136-L139 PolarHBondContact O-N 3.26Å; V136-L139 VanDerWaalsContact O-N 3.09Å; L139-A141 PolarHBondContact O-N 2.95Å; L139-S142 VanDerWaalsContact O-CB 3.27Å; L139-S142 WeakPolarHBondContact O-CB 3.07Å; L139-S142 PolarHBondContact O-N 3.02Å; L139-S142 VanDerWaalsContact O-N 3.13Å; L139-S142 PolarHBondContact O-OG 2.75Å; L139-A145 WeakPolarHBondContact O-CB 3.32Å
140	R	37.4	Very low	36.3	Very low	227 Å²	227	101 Å²	101	86%	0.857	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-58.6	-21.2	165.5	-97.4	-175.7	178.6	174.4	0.6	114.6	G138 A145	G138-R140 PolarHBondContact O-N 3.35Å; R140-A145 VanDerWaalsContact C-CB 3.41Å; R140-A145 VanDerWaalsContact CA-CB 3.45Å; R140-A145 WeakPolarHBondContact O-CB 3.28Å
141	A	38.3	Very low	36.5	Very low	56 Å²	56	97.8 Å²	97.8	46%	0.463	52%	0.524	S	S	.	.	G	3₁₀ helix	trans	-100.7	-6.1	177.7	0	0	0	0	0	113.5	G138 L139 K146	G138-A141 CarbonylContact O-C 3.49Å; G138-A141 WeakPolarHBondContact O-CA 3.38Å; G138-A141 WeakPolarHBondContact O-CB 3.44Å; G138-A141 PolarHBondContact O-N 3.29Å; L139-A141 PolarHBondContact O-N 2.95Å; A141-K146 WeakPolarHBondContact O-CD 3.42Å; A141-K146 WeakPolarHBondContact O-CE 3.22Å
142	S	38.2	Very low	36.4	Very low	36 Å²	36	98 Å²	98	25%	0.252	53%	0.525	S	S	.	.	S	Bend	trans	-60.5	156.8	171.8	72.7	0	0	0	0	111.1	G138 L139 L144 A145 K146	G138-S142 PolarHBondContact O-N 3.44Å; G138-S142 VanDerWaalsContact O-N 3.17Å; L139-S142 VanDerWaalsContact O-CB 3.27Å; L139-S142 WeakPolarHBondContact O-CB 3.07Å; L139-S142 PolarHBondContact O-N 3.02Å; L139-S142 VanDerWaalsContact O-N 3.13Å; L139-S142 PolarHBondContact O-OG 2.75Å; S142-L144 PolarHBondContact O-N 3Å; S142-A145 CarbonylContact O-C 3.54Å; S142-A145 PolarHBondContact O-N 3.2Å; S142-A145 VanDerWaalsContact O-N 3.1Å; S142-A145 PolarHBondContact OG-N 3.23Å; S142-K146 WeakPolarHBondContact O-CB 3.3Å; S142-K146 PolarHBondContact O-N 3.35Å
143	L	35.2	Very low	36.7	Very low	119 Å²	119	98 Å²	98	62%	0.623	52%	0.523	S	S	*	.	H	α-helix	trans	-57.2	-34.1	175.4	-79.6	169.2	0	0	0	112	A145 K146 H147	L143-A145 PolarHBondContact O-N 3.26Å; L143-K146 CarbonylContact O-C 3.59Å; L143-K146 PolarHBondContact O-N 3.25Å; L143-H147 WeakPolarHBondContact O-CA 3.39Å; L143-H147 WeakPolarHBondContact O-CB 3.37Å; L143-H147 PolarHBondContact O-CD2 3.28Å; L143-H147 PolarHBondContact O-N 3.01Å
144	L	38.3	Very low	36.7	Very low	105 Å²	105	95.3 Å²	95.3	55%	0.55	52%	0.522	S	S	.	.	H	α-helix	trans	-59.8	-45.1	175	-156.9	93.8	0	0	0	112	E104 S142 A148	E104-L144 WeakPolarHBondContact OE1-CD1 3.43Å; S142-L144 PolarHBondContact O-N 3Å; L144-A148 VanDerWaalsContact O-CB 3.24Å; L144-A148 WeakPolarHBondContact O-CB 3.5Å; L144-A148 PolarHBondContact O-N 3.11Å
145	A	36.6	Very low	36.8	Very low	18 Å²	18	97.1 Å²	97.1	15%	0.149	51%	0.511	C	S	.	.	H	α-helix	trans	-79.1	-30.7	176.9	0	0	0	0	0	113.1	L139 R140 S142 L143 H147 K149	L139-A145 WeakPolarHBondContact O-CB 3.32Å; R140-A145 VanDerWaalsContact C-CB 3.41Å; R140-A145 VanDerWaalsContact CA-CB 3.45Å; R140-A145 WeakPolarHBondContact O-CB 3.28Å; S142-A145 CarbonylContact O-C 3.54Å; S142-A145 PolarHBondContact O-N 3.2Å; S142-A145 VanDerWaalsContact O-N 3.1Å; S142-A145 PolarHBondContact OG-N 3.23Å; L143-A145 PolarHBondContact O-N 3.26Å; A145-H147 VanDerWaalsContact C-N 3.33Å; A145-K149 WeakPolarHBondContact O-CA 3.42Å; A145-K149 WeakPolarHBondContact O-CB 3.32Å; A145-K149 PolarHBondContact O-N 3.43Å
146	K	36.2	Very low	37	Very low	113 Å²	113	99.1 Å²	99.1	49%	0.491	51%	0.508	S	S	.	.	H	α-helix	trans	-70.9	-29.6	171.2	-77.7	178.4	177.4	168.7	0	111.5	A141 S142 L143 R150	A141-K146 WeakPolarHBondContact O-CD 3.42Å; A141-K146 WeakPolarHBondContact O-CE 3.22Å; S142-K146 WeakPolarHBondContact O-CB 3.3Å; S142-K146 PolarHBondContact O-N 3.35Å; L143-K146 CarbonylContact O-C 3.59Å; L143-K146 PolarHBondContact O-N 3.25Å; K146-R150 WeakPolarHBondContact O-CA 3.4Å; K146-R150 WeakPolarHBondContact O-CB 3.49Å; K146-R150 WeakPolarHBondContact O-CG 3.49Å; K146-R150 PolarHBondContact O-N 2.85Å
147	H	37.5	Very low	37.2	Very low	106 Å²	106	101.6 Å²	101.6	49%	0.491	52%	0.515	S	S	.	.	H	α-helix	trans	-82.2	-37.9	173.2	-77.1	-61.8	0	0	0	110.9	L143 A145 F151	L143-H147 WeakPolarHBondContact O-CA 3.39Å; L143-H147 WeakPolarHBondContact O-CB 3.37Å; L143-H147 PolarHBondContact O-CD2 3.28Å; L143-H147 PolarHBondContact O-N 3.01Å; A145-H147 VanDerWaalsContact C-N 3.33Å; H147-F151 WeakPolarHBondContact O-CA 3.5Å; H147-F151 WeakPolarHBondContact O-CB 3.4Å; H147-F151 PolarHBondContact O-N 3.39Å
148	A	38.5	Very low	37.6	Very low	60 Å²	60	99.6 Å²	99.6	50%	0.496	50%	0.495	S	S	.	.	H	α-helix	trans	-62	-45.2	169.6	0	0	0	0	0	111	L144 F151 E152	L144-A148 VanDerWaalsContact O-CB 3.24Å; L144-A148 WeakPolarHBondContact O-CB 3.5Å; L144-A148 PolarHBondContact O-N 3.11Å; A148-F151 PolarHBondContact O-N 3.38Å; A148-E152 WeakPolarHBondContact O-CB 3.29Å; A148-E152 PolarHBondContact O-N 3.23Å
149	K	37	Very low	37.6	Very low	119 Å²	119	100.4 Å²	100.4	52%	0.517	49%	0.488	S	S	.	.	H	α-helix	trans	-72.9	-38.9	176.3	-165	-176.7	-169.1	-117.7	0	112.6	A145 F151 E152 E153	A145-K149 WeakPolarHBondContact O-CA 3.42Å; A145-K149 WeakPolarHBondContact O-CB 3.32Å; A145-K149 PolarHBondContact O-N 3.43Å; K149-F151 VanDerWaalsContact C-N 3.33Å; K149-E152 PolarHBondContact O-N 3.23Å; K149-E153 WeakPolarHBondContact CE-OE1 3.4Å; K149-E153 HydrophobicContact CG-CG 4.16Å; K149-E153 IonicContact NZ-OE1 3.46Å; K149-E153 PolarHBondContact NZ-OE1 3.22Å; K149-E153 WeakPolarHBondContact O-CA 3.42Å; K149-E153 WeakPolarHBondContact O-CB 3.41Å; K149-E153 WeakPolarHBondContact O-CG 3.5Å; K149-E153 PolarHBondContact O-N 3.49Å
150	R	36	Very low	37.8	Very low	168 Å²	168	101.5 Å²	101.5	63%	0.634	49%	0.494	S	S	*	.	H	α-helix	trans	-70.7	-29.8	172.9	-77.1	173.5	93.8	-174.7	7.7	111.4	K146 A154	K146-R150 WeakPolarHBondContact O-CA 3.4Å; K146-R150 WeakPolarHBondContact O-CB 3.49Å; K146-R150 WeakPolarHBondContact O-CG 3.49Å; K146-R150 PolarHBondContact O-N 2.85Å; R150-A154 WeakPolarHBondContact O-CA 3.24Å; R150-A154 WeakPolarHBondContact O-CB 3.4Å; R150-A154 PolarHBondContact O-N 2.9Å
151	F	38.5	Very low	37.6	Very low	153 Å²	153	99.9 Å²	99.9	67%	0.671	49%	0.488	S	S	*	.	H	α-helix	trans	-71.7	-43.9	172.3	-178.1	-94.6	0	0	0	109.7	H147 A148 K149 A154 Y155	H147-F151 WeakPolarHBondContact O-CA 3.5Å; H147-F151 WeakPolarHBondContact O-CB 3.4Å; H147-F151 PolarHBondContact O-N 3.39Å; A148-F151 PolarHBondContact O-N 3.38Å; K149-F151 VanDerWaalsContact C-N 3.33Å; F151-A154 PolarHBondContact O-N 3.16Å; F151-Y155 WeakPolarHBondContact O-CA 3.37Å; F151-Y155 WeakPolarHBondContact O-CB 3.48Å; F151-Y155 PolarHBondContact O-N 2.85Å
152	E	34.8	Very low	37.4	Very low	128 Å²	128	105.5 Å²	105.5	60%	0.598	50%	0.497	S	S	*	.	H	α-helix	trans	-65	-44.9	175	-168.1	176.3	-156.2	0	0	111.4	A148 K149 Y155 H156	A148-E152 WeakPolarHBondContact O-CB 3.29Å; A148-E152 PolarHBondContact O-N 3.23Å; K149-E152 PolarHBondContact O-N 3.23Å; E152-Y155 PolarHBondContact O-N 3.45Å; E152-H156 VanDerWaalsContact O-CB 3.3Å; E152-H156 WeakPolarHBondContact O-CB 3.41Å; E152-H156 PolarHBondContact O-N 2.99Å
153	E	40.8	Very low	37.2	Very low	81 Å²	81	109.8 Å²	109.8	38%	0.379	52%	0.515	S	S	.	.	H	α-helix	trans	-69.6	-37.7	175.1	-74.7	172.4	177.9	0	0	111.8	K149 H157	K149-E153 WeakPolarHBondContact CE-OE1 3.4Å; K149-E153 HydrophobicContact CG-CG 4.16Å; K149-E153 IonicContact NZ-OE1 3.46Å; K149-E153 PolarHBondContact NZ-OE1 3.22Å; K149-E153 WeakPolarHBondContact O-CA 3.42Å; K149-E153 WeakPolarHBondContact O-CB 3.41Å; K149-E153 WeakPolarHBondContact O-CG 3.5Å; K149-E153 PolarHBondContact O-N 3.49Å; E153-H157 WeakPolarHBondContact O-CA 3.48Å; E153-H157 WeakPolarHBondContact O-CB 3.33Å; E153-H157 PolarHBondContact O-CD2 3.17Å; E153-H157 VanDerWaalsContact O-CD2 3.31Å; E153-H157 PolarHBondContact O-N 2.94Å
154	A	37.3	Very low	37.1	Very low	60 Å²	60	109.2 Å²	109.2	50%	0.496	51%	0.512	S	S	.	.	H	α-helix	trans	-71.8	-34.7	174.1	0	0	0	0	0	111	R150 F151 M158	R150-A154 WeakPolarHBondContact O-CA 3.24Å; R150-A154 WeakPolarHBondContact O-CB 3.4Å; R150-A154 PolarHBondContact O-N 2.9Å; F151-A154 PolarHBondContact O-N 3.16Å; A154-M158 WeakPolarHBondContact O-CA 3.28Å; A154-M158 WeakPolarHBondContact O-CB 3.35Å; A154-M158 PolarHBondContact O-N 3.19Å
155	Y	40.1	Very low	36.7	Very low	125 Å²	125	108.1 Å²	108.1	49%	0.49	51%	0.513	S	S	.	.	H	α-helix	trans	-69.1	-42.6	173.1	-175.1	-104.9	0	0	0	110.4	F151 E152 M158 L159	F151-Y155 WeakPolarHBondContact O-CA 3.37Å; F151-Y155 WeakPolarHBondContact O-CB 3.48Å; F151-Y155 PolarHBondContact O-N 2.85Å; E152-Y155 PolarHBondContact O-N 3.45Å; Y155-M158 HydrophobicContact CD2-CE 4.05Å; Y155-M158 HydrophobicContact CE2-CE 4.2Å; Y155-M158 PolarHBondContact O-N 2.84Å; Y155-L159 HydrophobicContact CD1-CD1 3.76Å; Y155-L159 HydrophobicContact CE1-CD1 3.44Å; Y155-L159 VanDerWaalsContact CE1-CD1 3.44Å; Y155-L159 HydrophobicContact CE1-CG 4.35Å; Y155-L159 WeakPolarHBondContact O-CB 3.44Å; Y155-L159 VanDerWaalsContact O-CG 3.26Å; Y155-L159 WeakPolarHBondContact O-CG 3.48Å; Y155-L159 PolarHBondContact O-N 3.39Å
156	H	37.2	Very low	36.5	Very low	115 Å²	115	111.8 Å²	111.8	53%	0.532	54%	0.538	S	S	.	.	H	α-helix	trans	-68.7	-42.7	173.9	-116.1	-20.6	0	0	0	112	E152 M158 L159 I160	E152-H156 VanDerWaalsContact O-CB 3.3Å; E152-H156 WeakPolarHBondContact O-CB 3.41Å; E152-H156 PolarHBondContact O-N 2.99Å; H156-M158 VanDerWaalsContact C-N 3.29Å; H156-M158 PolarHBondContact O-N 2.74Å; H156-L159 PolarHBondContact O-N 3.23Å; H156-I160 VanDerWaalsContact O-CB 3.3Å; H156-I160 WeakPolarHBondContact O-CB 3.37Å; H156-I160 WeakPolarHBondContact O-CG1 3.26Å; H156-I160 PolarHBondContact O-N 2.93Å
157	H	38.6	Very low	36.3	Very low	122 Å²	122	110.8 Å²	110.8	57%	0.565	55%	0.545	S	S	*	.	H	α-helix	trans	-67.3	-29.4	173.2	-92.4	-74.6	0	0	0	111.8	E153 R161	E153-H157 WeakPolarHBondContact O-CA 3.48Å; E153-H157 WeakPolarHBondContact O-CB 3.33Å; E153-H157 PolarHBondContact O-CD2 3.17Å; E153-H157 VanDerWaalsContact O-CD2 3.31Å; E153-H157 PolarHBondContact O-N 2.94Å; H157-R161 WeakPolarHBondContact O-CA 3.44Å; H157-R161 WeakPolarHBondContact O-CB 3.28Å; H157-R161 WeakPolarHBondContact O-CG 3.45Å; H157-R161 PolarHBondContact O-N 3.36Å
158	M	40.8	Very low	35.8	Very low	87 Å²	87	113.2 Å²	113.2	43%	0.429	56%	0.561	S	S	.	*	H	α-helix	trans	-71.5	-41	172.7	-175.4	-174.3	81.5	0	0	110.6	A154 Y155 H156 R162	A154-M158 WeakPolarHBondContact O-CA 3.28Å; A154-M158 WeakPolarHBondContact O-CB 3.35Å; A154-M158 PolarHBondContact O-N 3.19Å; Y155-M158 HydrophobicContact CD2-CE 4.05Å; Y155-M158 HydrophobicContact CE2-CE 4.2Å; Y155-M158 PolarHBondContact O-N 2.84Å; H156-M158 VanDerWaalsContact C-N 3.29Å; H156-M158 PolarHBondContact O-N 2.74Å; M158-R162 WeakPolarHBondContact O-CB 3.36Å; M158-R162 PolarHBondContact O-N 2.86Å
159	L	37.6	Very low	35.2	Very low	60 Å²	60	114.9 Å²	114.9	31%	0.314	58%	0.575	S	S	.	*	H	α-helix	trans	-66.2	-46.1	174.3	-74.5	170.9	0	0	0	111.4	Y155 H156 R162 M163	Y155-L159 HydrophobicContact CD1-CD1 3.76Å; Y155-L159 HydrophobicContact CE1-CD1 3.44Å; Y155-L159 VanDerWaalsContact CE1-CD1 3.44Å; Y155-L159 HydrophobicContact CE1-CG 4.35Å; Y155-L159 WeakPolarHBondContact O-CB 3.44Å; Y155-L159 VanDerWaalsContact O-CG 3.26Å; Y155-L159 WeakPolarHBondContact O-CG 3.48Å; Y155-L159 PolarHBondContact O-N 3.39Å; H156-L159 PolarHBondContact O-N 3.23Å; L159-R162 PolarHBondContact O-N 3.36Å; L159-M163 WeakPolarHBondContact O-CB 3.42Å; L159-M163 VanDerWaalsContact O-CG 3.29Å; L159-M163 WeakPolarHBondContact O-CG 3.46Å; L159-M163 PolarHBondContact O-N 2.98Å
160	I	38.6	Very low	34.5	Very low	74 Å²	74	112.5 Å²	112.5	38%	0.379	58%	0.584	S	S	.	*	H	α-helix	trans	-70.2	-38.4	177.4	-65.5	165.9	0	0	0	110.8	H156 R162 M163 N164	H156-I160 VanDerWaalsContact O-CB 3.3Å; H156-I160 WeakPolarHBondContact O-CB 3.37Å; H156-I160 WeakPolarHBondContact O-CG1 3.26Å; H156-I160 PolarHBondContact O-N 2.93Å; I160-R162 VanDerWaalsContact C-N 3.34Å; I160-M163 PolarHBondContact O-N 3.28Å; I160-N164 WeakPolarHBondContact O-CB 3.46Å; I160-N164 PolarHBondContact O-N 3.45Å
161	R	32.7	Very low	33.9	Very low	193 Å²	193	110 Å²	110	73%	0.728	59%	0.592	S	S	*	*	H	α-helix	trans	-63.3	-40.5	171.1	-90.2	-175.8	166.9	173.2	-2.9	110.6	H157 M163 N164 S165	H157-R161 WeakPolarHBondContact O-CA 3.44Å; H157-R161 WeakPolarHBondContact O-CB 3.28Å; H157-R161 WeakPolarHBondContact O-CG 3.45Å; H157-R161 PolarHBondContact O-N 3.36Å; R161-M163 VanDerWaalsContact C-N 3.33Å; R161-N164 PolarHBondContact O-N 2.89Å; R161-S165 WeakPolarHBondContact O-CA 3.1Å; R161-S165 WeakPolarHBondContact O-CB 3.43Å; R161-S165 PolarHBondContact O-N 3.32Å; R161-S165 PolarHBondContact O-OG 3.42Å
162	R	34.3	Very low	33.1	Very low	174 Å²	174	112 Å²	112	66%	0.657	60%	0.603	S	S	*	*	H	α-helix	trans	-66.4	-34.1	174.6	-87.9	-175.5	173.1	177.9	-1.3	112.8	M158 L159 I160 S166	M158-R162 WeakPolarHBondContact O-CB 3.36Å; M158-R162 PolarHBondContact O-N 2.86Å; L159-R162 PolarHBondContact O-N 3.36Å; I160-R162 VanDerWaalsContact C-N 3.34Å; R162-S166 PolarHBondContact O-OG 2.86Å
163	M	35.6	Very low	32.4	Very low	125 Å²	125	111.1 Å²	111.1	62%	0.616	62%	0.618	S	S	*	*	H	α-helix	trans	-71.5	-37	173.9	-73.3	175	173.6	0	0	112.5	L159 I160 R161 S166	L159-M163 WeakPolarHBondContact O-CB 3.42Å; L159-M163 VanDerWaalsContact O-CG 3.29Å; L159-M163 WeakPolarHBondContact O-CG 3.46Å; L159-M163 PolarHBondContact O-N 2.98Å; I160-M163 PolarHBondContact O-N 3.28Å; R161-M163 VanDerWaalsContact C-N 3.33Å; M163-S166 PolarHBondContact O-OG 2.91Å
164	N	32.6	Very low	31.5	Very low	108 Å²	108	111.7 Å²	111.7	58%	0.578	64%	0.636	S	S	*	*	H	α-helix	trans	-90.7	-17.4	-179.1	-68.3	-8.7	0	0	0	113.5	I160 R161 S167	I160-N164 WeakPolarHBondContact O-CB 3.46Å; I160-N164 PolarHBondContact O-N 3.45Å; R161-N164 PolarHBondContact O-N 2.89Å; N164-S167 PolarHBondContact O-OG 3.03Å
165	S	29.9	Very low	30.8	Very low	81 Å²	81	114.2 Å²	114.2	57%	0.566	65%	0.65	S	S	*	*	S	Bend	trans	-90.3	-0.3	175.4	73.8	0	0	0	0	112.9	R161	R161-S165 WeakPolarHBondContact O-CA 3.1Å; R161-S165 WeakPolarHBondContact O-CB 3.43Å; R161-S165 PolarHBondContact O-N 3.32Å; R161-S165 PolarHBondContact O-OG 3.42Å
166	S	31.5	Very low	29.9	Very low	95 Å²	95	117 Å²	117	66%	0.664	67%	0.668	S	S	*	*	S	Bend	trans	-95.7	-0.1	171.1	40	0	0	0	0	113.5	R162 M163	R162-S166 PolarHBondContact O-OG 2.86Å; M163-S166 PolarHBondContact O-OG 2.91Å
167	S	32.7	Very low	29.2	Very low	93 Å²	93	119.3 Å²	119.3	65%	0.65	68%	0.684	S	S	*	*	S	Bend	trans	-107.4	10.8	172.4	71.3	0	0	0	0	114.7	N164	N164-S167 PolarHBondContact O-OG 3.03Å
168	L	26.3	Very low	28.6	Very low	157 Å²	157	118.4 Å²	118.4	82%	0.822	69%	0.692	S	S	*	*	S	Bend	trans	-135.9	60.6	174.8	-97	116.8	0	0	0	111.6
169	A	25.7	Very low	27.7	Very low	95 Å²	95	120.5 Å²	120.5	79%	0.785	71%	0.709	S	S	*	*			trans	-154.2	67.8	157.1	0	0	0	0	0	108.7
170	G	22.6	Very low	27	Very low	68 Å²	68	125.9 Å²	125.9	70%	0.701	74%	0.737	S	S	*	*			trans	-66.6	145.7	164.2	0	0	0	0	0	110.8
171	S	23.1	Very low	26.2	Very low	116 Å²	116	129.9 Å²	129.9	81%	0.811	76%	0.76	S	S	*	*			trans	68.4	94.9	163.2	65.9	0	0	0	0	117.7
172	Q	21.4	Very low	25.8	Very low	195 Å²	195	129.4 Å²	129.4	91%	0.911	76%	0.763	S	S	*	*				-163.1	115.6	115.1	-102.9	171.4	26.2	0	0	109.7	A174	Q172-A174 PolarHBondContact O-N 3.06Å
173	A	21.8	Very low	25.2	Very low	110 Å²	110	127.4 Å²	127.4	91%	0.909	77%	0.765	S	S	*	*			trans	-67.2	123.6	173.4	0	0	0	0	0	109.8
174	A	21.4	Very low	24.7	Very low	92 Å²	92	125.5 Å²	125.5	76%	0.76	77%	0.769	S	S	*	*			trans	-140.7	100	162.1	0	0	0	0	0	108.6	Q172	Q172-A174 PolarHBondContact O-N 3.06Å
175	S	22.1	Very low	24.2	Very low	113 Å²	113	128.2 Å²	128.2	79%	0.79	78%	0.783	S	S	*	*			trans	27.3	106.7	161.3	63.1	0	0	0	0	118.7	N177	S175-N177 PolarHBondContact O-N 3.26Å
176	E	22.2	Very low	23.8	Very low	185 Å²	185	133.4 Å²	133.4	86%	0.864	80%	0.799	S	S	*	*			trans	-50.5	118.5	147	-62.3	172.4	152.1	0	0	110
177	N	22	Very low	23.2	Very low	163 Å²	163	133.1 Å²	133.1	87%	0.872	80%	0.796	S	S	*	*			trans	174.1	141.1	141.8	-87	-22.1	0	0	0	109.2	S175	S175-N177 PolarHBondContact O-N 3.26Å
178	S	25.5	Very low	22.7	Very low	103 Å²	103	136 Å²	136	72%	0.72	80%	0.804	S	S	*	*	S	Bend	trans	87.9	62.8	174	-170.2	0	0	0	0	118.2
179	V	23	Very low	22.4	Very low	131 Å²	131	136.7 Å²	136.7	79%	0.794	81%	0.809	S	S	*	*	S	Bend	trans	-139.8	-19.2	147.6	-174.8	0	0	0	0	111.9	D181	V179-D181 PolarHBondContact O-N 3.28Å
180	L	21.8	Very low	22.1	Very low	173 Å²	173	140.8 Å²	140.8	91%	0.906	81%	0.812	S	S	*	*	G	3₁₀ helix	trans	-69.4	-11.1	179.2	-82.5	164.6	0	0	0	115.1	F182	L180-F182 VanDerWaalsContact C-N 3.34Å; L180-F182 PolarHBondContact O-N 3.46Å
181	D	22.5	Very low	22.1	Very low	158 Å²	158	146.8 Å²	146.8	85%	0.845	82%	0.822	S	S	*	*	G	3₁₀ helix	trans	-85.8	3.8	179.5	-77.7	-20	0	0	0	114.7	V179	V179-D181 PolarHBondContact O-N 3.28Å
182	F	23.1	Very low	21.9	Very low	182 Å²	182	150.9 Å²	150.9	80%	0.798	83%	0.828	S	S	*	*	G	3₁₀ helix	trans	-89.1	-9.2	-175.7	-126.4	-88.6	0	0	0	115.3	L180	L180-F182 VanDerWaalsContact C-N 3.34Å; L180-F182 PolarHBondContact O-N 3.46Å
183	L	23.3	Very low	22	Very low	132 Å²	132	147.1 Å²	147.1	69%	0.691	82%	0.823	S	S	*	*	S	Bend	trans	-143.3	19.9	-161.7	-72.2	174.5	0	0	0	118.3	N308	L183-N308 WeakPolarHBondContact CD1-ND2 3.25Å
184	A	23.5	Very low	21.9	Very low	85 Å²	85	146.2 Å²	146.2	70%	0.702	82%	0.816	S	S	*	*			trans	-128.3	102.4	169.8	0	0	0	0	0	110.4	Q186	A184-Q186 PolarHBondContact O-N 2.68Å
185	D	22.7	Very low	21.9	Very low	165 Å²	165	148.4 Å²	148.4	88%	0.882	82%	0.815	S	S	*	*			trans	-57.3	126.3	166.7	-160.2	11.7	0	0	0	109	S187	D185-S187 PolarHBondContact O-N 3.39Å
186	Q	20.8	Very low	21.8	Very low	191 Å²	191	153.2 Å²	153.2	89%	0.893	82%	0.816	S	S	*	*			trans	-77.2	109.5	-178	-70.7	-176.3	-15	0	0	109.2	A184	A184-Q186 PolarHBondContact O-N 2.68Å
187	S	20.6	Very low	21.7	Very low	88 Å²	88	153.2 Å²	153.2	62%	0.615	82%	0.816	S	S	*	*			trans	-133.6	103.5	151	65.3	0	0	0	0	107.3	D185	D185-S187 PolarHBondContact O-N 3.39Å
188	D	21.3	Very low	21.8	Very low	153 Å²	153	150 Å²	150	82%	0.818	81%	0.812	S	S	*	*				-175.8	126.5	121.7	-84	-24	0	0	0	109.4	E190	D188-E190 PolarHBondContact O-N 3.15Å
189	N	19.7	Very low	21.5	Very low	172 Å²	172	151.5 Å²	151.5	92%	0.92	81%	0.811	S	S	*	*			trans	-66.4	117.6	168.3	-72.5	-46.7	0	0	0	108.1
190	E	20.3	Very low	21.4	Very low	181 Å²	181	155.7 Å²	155.7	85%	0.846	81%	0.813	S	S	*	*			trans	-118.7	118.8	159.7	-75.1	-166.3	162.5	0	0	109.5	D188 E192	D188-E190 PolarHBondContact O-N 3.15Å; E190-E192 PolarHBondContact O-N 3.43Å
191	E	21.1	Very low	21.5	Very low	194 Å²	194	152.9 Å²	152.9	91%	0.907	81%	0.808	S	S	*	*			trans	-60.6	122.7	170.6	-70.7	178.6	149.9	0	0	109.7	S193	E191-S193 PolarHBondContact O-N 3.17Å
192	E	20.4	Very low	21.4	Very low	202 Å²	202	149.7 Å²	149.7	94%	0.944	80%	0.804	S	S	*	*			trans	-62.6	109.7	168.5	-71.8	-179.7	143.5	0	0	110.3	E190	E190-E192 PolarHBondContact O-N 3.43Å
193	S	22.6	Very low	21.4	Very low	116 Å²	116	150.9 Å²	150.9	81%	0.811	81%	0.811	S	S	*	*			trans	-123	105.1	149.2	75	0	0	0	0	109.4	E191	E191-S193 PolarHBondContact O-N 3.17Å
194	A	20	Very low	21.3	Very low	91 Å²	91	148.5 Å²	148.5	75%	0.752	82%	0.819	S	S	*	*			trans	-68.2	123.6	170	0	0	0	0	0	110.6
195	D	22	Very low	21.2	Very low	138 Å²	138	152.9 Å²	152.9	74%	0.738	83%	0.829	S	S	*	*			trans	-169.1	114.7	134.6	-101.5	-31.3	0	0	0	112.4
196	R	20.3	Very low	21.1	Very low	215 Å²	215	148.9 Å²	148.9	81%	0.811	82%	0.818	S	S	*	*			trans	55.5	114.9	135.3	-65.5	177.1	177.7	-173.9	-0.9	121.2
197	E	19.6	Very low	21.2	Very low	185 Å²	185	149.3 Å²	149.3	86%	0.864	82%	0.82	S	S	*	*				32.2	113.2	123.6	-67	-178.7	146	0	0	118.7
198	A	23.2	Very low	21.3	Very low	95 Å²	95	151.7 Å²	151.7	79%	0.785	83%	0.831	S	S	*	*				168.3	120.4	107.5	0	0	0	0	0	113.1
199	N	20.4	Very low	21.2	Very low	134 Å²	134	154.1 Å²	154.1	72%	0.717	83%	0.834	S	S	*	*			trans	38.8	122.4	135.6	-85.6	-32.8	0	0	0	122.3
200	R	20.3	Very low	21.3	Very low	220 Å²	220	150.3 Å²	150.3	83%	0.83	83%	0.827	S	S	*	*				70.9	115.2	126	-65.4	177.8	-175.4	-164.5	-1.8	119.9
201	S	23.8	Very low	21.5	Very low	113 Å²	113	150.2 Å²	150.2	79%	0.79	83%	0.831	S	S	*	*			trans	142	108.9	131.3	54.4	0	0	0	0	107.8
202	A	21	Very low	21.3	Very low	92 Å²	92	152.4 Å²	152.4	76%	0.76	83%	0.831	S	S	*	*				55.2	104.8	70.2	0	0	0	0	0	112.5
203	E	21.7	Very low	21.3	Very low	206 Å²	206	153.9 Å²	153.9	96%	0.963	83%	0.828	S	S	*	*			trans	116.9	112.9	160.2	-66.5	-176.6	174.4	0	0	115.2
204	G	21.9	Very low	21.2	Very low	82 Å²	82	152.9 Å²	152.9	85%	0.845	82%	0.82	S	S	*	*			trans	164.1	33.9	172.9	0	0	0	0	0	116.6	A206	G204-A206 PolarHBondContact O-N 3.12Å
205	I	20.7	Very low	21.2	Very low	177 Å²	177	154.2 Å²	154.2	91%	0.908	82%	0.818	S	S	*	*			trans	-74	114.4	162.8	-66.9	169.2	0	0	0	107.4
206	A	22.3	Very low	21.1	Very low	81 Å²	81	152.8 Å²	152.8	67%	0.669	82%	0.82	S	S	*	*			trans	158.7	90	139.6	0	0	0	0	0	111.7	G204	G204-A206 PolarHBondContact O-N 3.12Å
207	H	22.6	Very low	21.1	Very low	200 Å²	200	148.4 Å²	148.4	93%	0.926	82%	0.817	S	S	*	*			trans	-148	67	150.3	-105.8	-59.3	0	0	0	110.1
208	V	21.4	Very low	21.1	Very low	138 Å²	138	146 Å²	146	84%	0.836	81%	0.81	S	S	*	*			trans	-128	101.6	162.3	177.5	0	0	0	0	107.1
209	K	20.1	Very low	21	Very low	204 Å²	204	147.7 Å²	147.7	89%	0.887	81%	0.81	S	S	*	*			trans	165.7	93	150.5	-96	170.9	-175.8	178.4	0	109.9
210	A	21.9	Very low	20.9	Very low	93 Å²	93	144.7 Å²	144.7	77%	0.769	81%	0.812	S	S	*	*			trans	-173.3	100.7	145.2	0	0	0	0	0	109
211	L	24.6	Very low	20.8	Very low	179 Å²	179	140.2 Å²	140.2	94%	0.937	81%	0.814	S	S	*	*			trans	-169.6	82.3	142.5	-99.2	147.4	0	0	0	108.1
212	R	17.6	Very low	20.8	Very low	239 Å²	239	140.6 Å²	140.6	90%	0.902	81%	0.814	S	S	*	*			trans	-115.5	151.5	157.4	-93.5	-173	174.8	-176.3	-1.6	106.6
213	R	20.4	Very low	20.9	Very low	234 Å²	234	142.2 Å²	142.2	88%	0.883	82%	0.816	S	S	*	*			trans	104.2	135	178.5	-67.1	178.1	-177.8	176.2	2	111.2
214	C	20.4	Very low	20.7	Very low	95 Å²	95	144.2 Å²	144.2	64%	0.642	82%	0.815	S	S	*	*			cis	-171.3	127.4	8.1	-110.4	0	0	0	0	105
215	T	18.7	Very low	20.7	Very low	118 Å²	118	145.8 Å²	145.8	72%	0.724	81%	0.813	S	S	*	*				58.2	139.1	102.7	61.2	0	0	0	0	118
216	S	19.7	Very low	21.1	Very low	109 Å²	109	142.4 Å²	142.4	76%	0.762	80%	0.803	S	S	*	*			trans	81.7	137.9	160.1	84.1	0	0	0	0	114.4
217	T	20.6	Very low	20.9	Very low	122 Å²	122	146.2 Å²	146.2	75%	0.748	81%	0.811	S	S	*	*			cis	-164.6	133	21.4	26.1	0	0	0	0	105.7
218	D	19.6	Very low	20.8	Very low	136 Å²	136	145.3 Å²	145.3	73%	0.727	81%	0.807	S	S	*	*				86.7	115.2	84.2	-133.8	17.3	0	0	0	114.2
219	T	20.6	Very low	20.6	Very low	129 Å²	129	143.5 Å²	143.5	79%	0.791	80%	0.8	S	S	*	*			trans	59	131.9	144.4	58.3	0	0	0	0	122.3
220	G	19.9	Very low	20.7	Very low	72 Å²	72	143 Å²	143	74%	0.742	80%	0.802	S	S	*	*			trans	142.3	79.2	134.9	0	0	0	0	0	116.5
221	S	18.2	Very low	20.5	Very low	125 Å²	125	145 Å²	145	87%	0.874	80%	0.804	S	S	*	*			trans	-61.8	143.8	158.4	-46.1	0	0	0	0	111.5
222	P	23.6	Very low	20.5	Very low	122 Å²	122	142.2 Å²	142.2	79%	0.792	80%	0.8	S	S	*	*			trans	-112.6	168.4	156.6	33.7	-20.3	0	0	0	112.1
223	P	23.4	Very low	20.5	Very low	125 Å²	125	136.8 Å²	136.8	81%	0.812	79%	0.793	S	S	*	*			trans	-110.7	166.2	-139.1	38.9	-32.1	0	0	0	116.1
224	R	16.9	Very low	20.5	Very low	249 Å²	249	131.4 Å²	131.4	94%	0.94	79%	0.786	S	S	*	*			trans	-59.3	138.3	162.4	-76.3	174.2	164.9	173.4	-4.7	112.6
225	S	21.3	Very low	20.6	Very low	115 Å²	115	134 Å²	134	80%	0.804	79%	0.794	S	S	*	*			trans	-168.7	166.9	148.9	89.2	0	0	0	0	110
226	P	28.9	Very low	20.8	Very low	106 Å²	106	134 Å²	134	69%	0.688	80%	0.798	S	S	*	*				-129	175.4	-122.5	34.5	-13.3	0	0	0	116.7
227	L	18.2	Very low	21	Very low	161 Å²	161	133.9 Å²	133.9	84%	0.843	80%	0.797	S	S	*	*			trans	55.2	117.3	149.2	-95.9	122.4	0	0	0	119.9
228	Q	20.9	Very low	21.1	Very low	180 Å²	180	136.1 Å²	136.1	84%	0.841	80%	0.804	S	S	*	*			trans	177.9	104.5	136.2	-98.9	164.9	22.1	0	0	107.8
229	S	17.7	Very low	21.2	Very low	100 Å²	100	135.3 Å²	135.3	70%	0.699	81%	0.806	S	S	*	*				41.1	97.3	89	74	0	0	0	0	114.3
230	Q	21.9	Very low	21.4	Very low	195 Å²	195	133.3 Å²	133.3	91%	0.911	80%	0.802	S	S	*	*			trans	-163.3	128.4	133.3	-107.9	169.9	40.5	0	0	112.1
231	T	18.3	Very low	21.6	Very low	133 Å²	133	135.7 Å²	135.7	82%	0.816	81%	0.805	S	S	*	*			trans	-57.8	137.6	169.6	42.4	0	0	0	0	113.6
232	S	23.2	Very low	21.8	Very low	122 Å²	122	137.2 Å²	137.2	85%	0.853	80%	0.803	S	S	*	*			trans	-142.9	126.4	145.8	58	0	0	0	0	110.1
233	V	18.5	Very low	21.9	Very low	125 Å²	125	135.9 Å²	135.9	76%	0.758	80%	0.797	S	S	*	*			trans	-81.5	162.4	-176.6	-171.1	0	0	0	0	109.4
234	T	20.1	Very low	21.9	Very low	120 Å²	120	136.3 Å²	136.3	74%	0.736	80%	0.797	S	S	*	*			trans	76.4	105	165.6	69.3	0	0	0	0	116.9
235	D	23.4	Very low	22.2	Very low	151 Å²	151	131.2 Å²	131.2	81%	0.807	79%	0.788	S	S	*	*				-156.5	143.7	95.7	-130.9	-21.8	0	0	0	112.7	S237	D235-S237 PolarHBondContact O-N 2.63Å
236	S	21.3	Very low	22.4	Very low	116 Å²	116	130.7 Å²	130.7	81%	0.811	78%	0.784	S	S	*	*			trans	-83.5	100.1	-176.9	45.7	0	0	0	0	110.8
237	S	24.7	Very low	22.1	Very low	107 Å²	107	128.4 Å²	128.4	75%	0.748	78%	0.779	S	S	*	*			trans	-132.2	118.5	159.6	60.6	0	0	0	0	108.4	D235	D235-S237 PolarHBondContact O-N 2.63Å
238	L	22.1	Very low	22.3	Very low	170 Å²	170	125 Å²	125	89%	0.89	78%	0.775	S	S	*	*			trans	-38.8	128.3	178.2	-72.7	148.2	0	0	0	111.3	A240	L238-A240 PolarHBondContact O-N 3.07Å
239	P	22.1	Very low	22.6	Very low	119 Å²	119	122 Å²	122	77%	0.773	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-64.2	135.4	177.6	17.6	-15.7	0	0	0	108.8
240	A	24.6	Very low	23.1	Very low	86 Å²	86	122.4 Å²	122.4	71%	0.711	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-50.5	136	169	0	0	0	0	0	108.5	L238 D242	L238-A240 PolarHBondContact O-N 3.07Å; A240-D242 PolarHBondContact O-N 3.44Å
241	P	24.4	Very low	23.3	Very low	122 Å²	122	117 Å²	117	79%	0.792	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-55.7	128	-175.2	24.3	-32.1	0	0	0	107.5	S243	P241-S243 VanDerWaalsContact C-N 3.29Å; P241-S243 PolarHBondContact O-N 2.82Å
242	D	23.4	Very low	23.8	Very low	158 Å²	158	113.2 Å²	113.2	85%	0.845	74%	0.742	S	S	*	*			trans	-31.9	96.4	178	-71.4	-48.3	0	0	0	109.3	A240 V244	A240-D242 PolarHBondContact O-N 3.44Å; D242-V244 PolarHBondContact O-N 2.79Å
243	S	25.7	Very low	24.3	Very low	93 Å²	93	111.6 Å²	111.6	65%	0.65	72%	0.721	S	S	*	*			trans	-61.6	106.2	165	62.8	0	0	0	0	101.3	P241 L245	P241-S243 VanDerWaalsContact C-N 3.29Å; P241-S243 PolarHBondContact O-N 2.82Å; S243-L245 PolarHBondContact O-N 2.87Å
244	V	23.1	Very low	25.8	Very low	135 Å²	135	109.7 Å²	109.7	82%	0.818	70%	0.703	S	S	*	*			trans	-43.7	98.6	169.1	177.7	0	0	0	0	104.5	D242 S246	D242-V244 PolarHBondContact O-N 2.79Å; V244-S246 PolarHBondContact O-N 3.27Å
245	L	23.1	Very low	27.5	Very low	142 Å²	142	112.8 Å²	112.8	74%	0.743	71%	0.709	S	S	*	*			trans	-69.2	76.1	172.5	-83.3	162	0	0	0	103	S243 G247	S243-L245 PolarHBondContact O-N 2.87Å; L245-G247 WeakPolarHBondContact O-CA 3.26Å; L245-G247 PolarHBondContact O-N 3.5Å
246	S	25.5	Very low	29.9	Very low	103 Å²	103	107.7 Å²	107.7	72%	0.72	68%	0.681	S	S	*	*			trans	-41	113.9	158.3	165.6	0	0	0	0	104.9	V244 A248	V244-S246 PolarHBondContact O-N 3.27Å; S246-A248 PolarHBondContact O-N 3.03Å; S246-A248 VanDerWaalsContact O-N 3.11Å
247	G	22.7	Very low	33	Very low	58 Å²	58	104.2 Å²	104.2	60%	0.598	65%	0.65	S	S	*	*			trans	-41.5	116.1	-152	0	0	0	0	0	112.5	L245 L249	L245-G247 WeakPolarHBondContact O-CA 3.26Å; L245-G247 PolarHBondContact O-N 3.5Å; G247-L249 PolarHBondContact O-N 3.04Å
248	A	22.5	Very low	36.2	Very low	91 Å²	91	99.5 Å²	99.5	75%	0.752	62%	0.616	S	S	*	*			trans	-67.8	70	157.6	0	0	0	0	0	107.5	S246 S250	S246-A248 PolarHBondContact O-N 3.03Å; S246-A248 VanDerWaalsContact O-N 3.11Å; A248-S250 PolarHBondContact O-N 3.45Å; A248-S250 VanDerWaalsContact O-N 3.07Å
249	L	27.3	Very low	39.7	Very low	116 Å²	116	91.4 Å²	91.4	61%	0.607	57%	0.574	S	S	*	*			trans	-56.9	112.4	156.1	-70.5	170.1	0	0	0	104.2	G247 A251	G247-L249 PolarHBondContact O-N 3.04Å; L249-A251 PolarHBondContact O-N 3.11Å; L249-A251 VanDerWaalsContact O-N 3.15Å
250	S	26.5	Very low	43.2	Very low	109 Å²	109	85.8 Å²	85.8	76%	0.762	54%	0.537	S	S	*	.			trans	-38.2	123.3	175.7	53.3	0	0	0	0	109.4	A248 G252	A248-S250 PolarHBondContact O-N 3.45Å; A248-S250 VanDerWaalsContact O-N 3.07Å; S250-G252 PolarHBondContact O-N 3Å
251	A	27.7	Very low	46.6	Very low	81 Å²	81	81.7 Å²	81.7	67%	0.669	50%	0.503	S	S	*	.			trans	-65.7	68.5	175.5	0	0	0	0	0	110.4	L249 H253	L249-A251 PolarHBondContact O-N 3.11Å; L249-A251 VanDerWaalsContact O-N 3.15Å; A251-H253 PolarHBondContact O-N 2.68Å
252	G	27.2	Very low	49.9	Very low	53 Å²	53	75.9 Å²	75.9	55%	0.546	47%	0.466	S	S	.	.			trans	-78.3	99.7	164.5	0	0	0	0	0	106.7	S250	S250-G252 PolarHBondContact O-N 3Å
253	H	35.1	Very low	53.1	Low	89 Å²	89	68.8 Å²	68.8	41%	0.412	43%	0.428	S	S	.	.			trans	-65.6	132.9	-171.3	-65.9	-46	0	0	0	113.1	A251 K295 E789	A251-H253 PolarHBondContact O-N 2.68Å; H253-K295 PolarHBondContact CD2-NZ 3.39Å; H253-K295 VanDerWaalsContact CG-NZ 3.32Å; H253-K295 PolarHBondContact ND1-NZ 3.22Å; H253-K295 PolarHBondContact NE2-NZ 2.89Å; H253-E789 IonicContact NE2-OE2 3.72Å
254	F	49.9	Very low	56	Low	84 Å²	84	66.7 Å²	66.7	37%	0.368	42%	0.416	S	S	.	.			trans	-67.4	139.2	-170.5	-57.4	-80.2	0	0	0	114.3	L796 D797 P798	F254-L796 HydrophobicContact CD2-CB 4.43Å; F254-D797 HydrophobicContact CE2-CB 4.38Å; F254-D797 VanDerWaalsContact CZ-CA 3.5Å; F254-D797 HydrophobicContact CZ-CB 3.92Å; F254-P798 HydrophobicContact CE1-CG 4.19Å
255	Q	55.4	Low	59	Low	185 Å²	185	62.1 Å²	62.1	86%	0.864	39%	0.389	S	S	*	.			trans	-96.8	24.3	178.8	-77.5	-173.2	-21.6	0	0	113.8
256	E	73.6	Confident	61.9	Low	45 Å²	45	55.4 Å²	55.4	21%	0.21	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-92	135.1	176.7	-167.4	167.7	160	0	0	110.9	V258 Q448 F450 H842	E256-V258 PolarHBondContact O-N 3.31Å; E256-Q448 WeakPolarHBondContact CG-O 3.21Å; E256-F450 HydrophobicContact CG-CB 4.32Å; E256-F450 WeakPolarHBondContact OE1-CB 3.33Å; E256-F450 PolarHBondContact OE1-N 2.8Å; E256-H842 IonicContact OE2-ND1 3.01Å
257	R	86.5	Confident	64.8	Low	43 Å²	43	50.7 Å²	50.7	16%	0.162	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-68.9	122.7	175.6	-177.9	-174.7	-179.4	-142.4	5.5	109.4	G298 D449 F450	R257-G298 PolarHBondContact NE-O 3.38Å; R257-G298 PolarHBondContact NH2-O 3.46Å; R257-D449 WeakPolarHBondContact CD-OD1 3.5Å; R257-D449 IonicContact CZ-OD2 3.76Å; R257-D449 IonicContact NH1-OD2 2.75Å; R257-D449 PolarHBondContact NH1-OD2 2.82Å; R257-F450 PolarHBondContact O-N 3.39Å; R257-F450 VanDerWaalsContact O-N 3.1Å
258	V	92.5	Very high	67.4	Low	8 Å²	8	49.9 Å²	49.9	5%	0.048	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	132.5	-178.4	-178.6	0	0	0	0	110.5	E256 V292 N299 V300 F450 W452	E256-V258 PolarHBondContact O-N 3.31Å; V258-V292 HydrophobicContact CB-CG1 4.17Å; V258-V292 HydrophobicContact CG1-CG1 4.32Å; V258-V292 HydrophobicContact CG2-CG1 3.88Å; V258-N299 PolarHBondContact N-OD1 2.83Å; V258-N299 WeakPolarHBondContact O-CA 3.43Å; V258-V300 PolarHBondContact O-N 3.41Å; V258-F450 HydrophobicContact CG1-CD1 4.29Å; V258-W452 HydrophobicContact CG1-CB 4.11Å; V258-W452 HydrophobicContact CG1-CE3 4.15Å
259	I	94.1	Very high	70.1	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	97.5	171.6	-60	179.8	0	0	0	108	V261 V300 L302 N444 S445 D449 F450 W452	I259-V261 HydrophobicContact CG2-CG2 4.08Å; I259-V300 CarbonylContact C-O 3.29Å; I259-V300 WeakPolarHBondContact CA-O 3.38Å; I259-V300 HydrophobicContact CG1-CB 4.14Å; I259-V300 HydrophobicContact CG1-CG2 4.26Å; I259-V300 HydrophobicContact CG2-CB 4.27Å; I259-L302 HydrophobicContact CG2-CD1 3.68Å; I259-L302 HydrophobicContact CG2-CG 4.35Å; I259-N444 WeakPolarHBondContact CD1-O 3.37Å; I259-S445 VanDerWaalsContact CD1-CB 3.45Å; I259-D449 HydrophobicContact CD1-CB 3.82Å; I259-D449 HydrophobicContact CG1-CB 4.24Å; I259-F450 PolarHBondContact N-O 3.35Å; I259-W452 PolarHBondContact O-N 3.24Å
260	T	95.8	Very high	72.4	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	124.1	176.6	-64.9	0	0	0	0	109.2	M293 V300 W301 L302 W452	T260-M293 PolarHBondContact OG1-SD 3.35Å; T260-V300 PolarHBondContact N-O 2.9Å; T260-W301 HydrophobicContact CG2-CD2 3.95Å; T260-W301 HydrophobicContact CG2-CE3 4.25Å; T260-W301 HydrophobicContact CG2-CG 4.44Å; T260-W301 HydrophobicContact CG2-CH2 4.25Å; T260-W301 HydrophobicContact CG2-CZ2 3.99Å; T260-W301 HydrophobicContact CG2-CZ3 4.4Å; T260-W301 CarbonylContact O-C 3.59Å; T260-W301 WeakPolarHBondContact O-CA 3.47Å; T260-L302 PolarHBondContact O-N 3.13Å; T260-W452 CarbonylContact C-O 3.53Å; T260-W452 WeakPolarHBondContact CA-O 3.44Å
261	V	96	Very high	74.6	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	118.1	179.7	-168	0	0	0	0	108.9	I259 L302 F437 A441 W452 I453 H454 L458	I259-V261 HydrophobicContact CG2-CG2 4.08Å; V261-L302 WeakPolarHBondContact CA-O 3.37Å; V261-L302 HydrophobicContact CB-CB 4.45Å; V261-L302 HydrophobicContact CG1-CB 4.13Å; V261-L302 HydrophobicContact CG2-CB 4.22Å; V261-L302 HydrophobicContact CG2-CD1 4.03Å; V261-F437 HydrophobicContact CG1-CB 4.39Å; V261-F437 HydrophobicContact CG1-CD1 3.58Å; V261-F437 HydrophobicContact CG1-CE1 4.33Å; V261-F437 HydrophobicContact CG1-CG 4.43Å; V261-A441 HydrophobicContact CG2-CB 4.04Å; V261-W452 PolarHBondContact N-O 2.85Å; V261-I453 HydrophobicContact CB-CD1 3.5Å; V261-I453 VanDerWaalsContact CB-CD1 3.5Å; V261-I453 HydrophobicContact CG1-CD1 4.16Å; V261-I453 HydrophobicContact CG2-CD1 3.46Å; V261-I453 VanDerWaalsContact CG2-CD1 3.46Å; V261-H454 PolarHBondContact O-N 2.82Å; V261-L458 HydrophobicContact CG1-CD1 3.89Å
262	S	94.8	Very high	76.5	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	155.1	-179.1	62.5	0	0	0	0	111.3	A264 W301 L302 A303 F437	S262-A264 PolarHBondContact OG-O 2.9Å; S262-W301 PolarHBondContact OG-NE1 2.89Å; S262-L302 PolarHBondContact N-O 3.5Å; S262-A303 VanDerWaalsContact O-CA 3.24Å; S262-A303 WeakPolarHBondContact O-CA 3.42Å; S262-A303 WeakPolarHBondContact O-CB 3.37Å; S262-F437 WeakPolarHBondContact O-CE1 3.48Å
263	N	91	Very high	78.3	Confident	10 Å²	10	55.3 Å²	55.3	5%	0.053	27%	0.268	C	S	.	.	S	Bend	trans	-65.4	-47.6	168.4	179	30.5	0	0	0	111.2	Y393 Y394 H457	N263-Y393 PolarHBondContact ND2-OH 2.94Å; N263-Y393 PolarHBondContact OD1-OH 3.35Å; N263-Y394 WeakPolarHBondContact ND2-CD2 3.41Å; N263-Y394 WeakPolarHBondContact ND2-CE2 3.41Å; N263-H457 HydrophobicContact CB-CB 3.79Å; N263-H457 PolarHBondContact ND2-CD2 2.84Å; N263-H457 VanDerWaalsContact ND2-CD2 3.31Å; N263-H457 PolarHBondContact ND2-NE2 3.23Å
264	A	84.8	Confident	79.8	Confident	48 Å²	48	59.9 Å²	59.9	40%	0.397	29%	0.286	S	S	.	.	S	Bend	trans	-75.3	126.2	-178.6	0	0	0	0	0	111.5	S262	S262-A264 PolarHBondContact OG-O 2.9Å
265	P	86	Confident	80.7	Confident	39 Å²	39	62.5 Å²	62.5	25%	0.253	30%	0.3	S	S	.	.			trans	-72.5	152.9	175.4	30.3	-34.2	0	0	0	111.8	V267 A303 F305	P265-V267 PolarHBondContact O-N 3.38Å; P265-A303 VanDerWaalsContact CA-CB 3.5Å; P265-A303 HydrophobicContact CB-CB 3.89Å; P265-F305 HydrophobicContact CB-CD1 3.64Å; P265-F305 HydrophobicContact CB-CE1 3.49Å; P265-F305 VanDerWaalsContact CB-CE1 3.49Å; P265-F305 HydrophobicContact CB-CE2 4.39Å; P265-F305 HydrophobicContact CB-CG 4.18Å; P265-F305 HydrophobicContact CB-CZ 3.9Å; P265-F305 HydrophobicContact CG-CD1 4.12Å; P265-F305 HydrophobicContact CG-CE1 4.4Å
266	P	85.1	Confident	81.8	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.006	26%	0.264	C	S	.	.	S	Bend	trans	-77.5	-10.9	178.8	33.1	-35.1	0	0	0	113.2	G281 V286 W301 Y378 L380	P266-G281 VanDerWaalsContact O-CA 3.24Å; P266-G281 WeakPolarHBondContact O-CA 3.45Å; P266-G281 PolarHBondContact O-N 3.48Å; P266-V286 HydrophobicContact CB-CG1 3.98Å; P266-V286 HydrophobicContact CB-CG2 4.44Å; P266-V286 WeakPolarHBondContact O-CG1 3.28Å; P266-W301 HydrophobicContact CB-CD2 3.67Å; P266-W301 HydrophobicContact CB-CE3 3.63Å; P266-W301 HydrophobicContact CB-CG 4.33Å; P266-W301 HydrophobicContact CB-CH2 4.05Å; P266-W301 HydrophobicContact CB-CZ2 4.06Å; P266-W301 HydrophobicContact CB-CZ3 3.82Å; P266-W301 HydrophobicContact CG-CB 4.2Å; P266-W301 HydrophobicContact CG-CD2 3.56Å; P266-W301 HydrophobicContact CG-CE3 3.9Å; P266-W301 HydrophobicContact CG-CG 3.66Å; P266-Y378 VanDerWaalsContact CB-OH 3.26Å; P266-Y378 WeakPolarHBondContact CB-OH 3.36Å; P266-Y378 HydrophobicContact CG-CE2 4.22Å; P266-L380 HydrophobicContact CG-CD2 3.39Å
267	V	85.4	Confident	81.9	Confident	5 Å²	5	58 Å²	58	3%	0.03	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	149.1	-177.7	-59.6	0	0	0	0	110.3	P265 I278 G279 F305 Y373 L380	P265-V267 PolarHBondContact O-N 3.38Å; V267-I278 HydrophobicContact CB-CG2 3.69Å; V267-I278 HydrophobicContact CG1-CG2 3.73Å; V267-I278 HydrophobicContact CG2-CG2 3.93Å; V267-G279 CarbonylContact C-O 3.51Å; V267-G279 VanDerWaalsContact CA-O 3.28Å; V267-G279 WeakPolarHBondContact CA-O 3.3Å; V267-G279 VanDerWaalsContact CB-O 3.3Å; V267-G279 WeakPolarHBondContact CB-O 3.31Å; V267-F305 HydrophobicContact CG2-CE1 3.68Å; V267-F305 HydrophobicContact CG2-CZ 4.33Å; V267-Y373 HydrophobicContact CG1-CE2 3.9Å; V267-L380 HydrophobicContact CG1-CD1 4.2Å; V267-L380 HydrophobicContact CG2-CD1 3.61Å
268	S	78.8	Confident	81.5	Confident	41 Å²	41	58 Å²	58	29%	0.287	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	131.8	168.6	65.1	0	0	0	0	109.6	G279	S268-G279 PolarHBondContact N-O 2.71Å; S268-G279 PolarHBondContact O-N 3.09Å; S268-G279 PolarHBondContact OG-O 2.92Å
269	L	78.9	Confident	80.6	Confident	32 Å²	32	58.9 Å²	58.9	17%	0.168	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	122.7	170.4	-65.2	169.8	0	0	0	108.7	W276 I278 F305 V309 L366 F370	L269-W276 HydrophobicContact CB-CE3 4.08Å; L269-W276 HydrophobicContact CB-CZ3 4.03Å; L269-I278 HydrophobicContact CD2-CD1 4.49Å; L269-I278 HydrophobicContact CD2-CG1 3.66Å; L269-F305 HydrophobicContact CD1-CB 4.12Å; L269-F305 HydrophobicContact CD1-CD1 3.56Å; L269-F305 HydrophobicContact CD1-CE1 4.26Å; L269-F305 HydrophobicContact CD1-CG 4.04Å; L269-F305 HydrophobicContact CG-CD1 3.99Å; L269-F305 HydrophobicContact CG-CE1 4.42Å; L269-V309 HydrophobicContact CD1-CG1 4.07Å; L269-V309 HydrophobicContact CD1-CG2 4.15Å; L269-L366 HydrophobicContact CD1-CD1 4.04Å; L269-L366 HydrophobicContact CD2-CD1 4.08Å; L269-F370 HydrophobicContact CD1-CE2 4.41Å; L269-F370 HydrophobicContact CD1-CZ 3.93Å; L269-F370 HydrophobicContact CD2-CZ 4.36Å
270	R	76.2	Confident	79.5	Confident	165 Å²	165	65.6 Å²	65.6	62%	0.623	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.4	148.6	173	-61.5	-173.6	-168.5	-137.2	2.8	109.4	W276 E277	R270-W276 CarbonylContact O-C 3.58Å; R270-W276 WeakPolarHBondContact O-CA 3.31Å; R270-E277 PolarHBondContact N-O 3.47Å; R270-E277 PolarHBondContact O-N 2.75Å
271	K	71.9	Confident	77.9	Confident	98 Å²	98	66.3 Å²	66.3	43%	0.426	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	111.5	173.8	-169	174.9	-175.6	174.3	0	108.2	E275 W276 E362	K271-E275 CarbonylContact C-O 3.56Å; K271-E275 WeakPolarHBondContact CA-O 3.49Å; K271-W276 HydrophobicContact CB-CE3 4.36Å; K271-E362 IonicContact NZ-OE1 3.37Å; K271-E362 PolarHBondContact NZ-OE1 3.31Å
272	K	67.7	Low	76.2	Confident	124 Å²	124	72.2 Å²	72.2	54%	0.539	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	130.7	176.9	-170.1	175.4	179.6	176.8	0	108.6	K274 E275	K272-K274 PolarHBondContact O-N 3.14Å; K272-E275 PolarHBondContact N-O 2.79Å; K272-E275 PolarHBondContact O-N 3.31Å; K272-E275 VanDerWaalsContact O-O 3.07Å
273	D	65.9	Low	74.9	Confident	145 Å²	145	73.5 Å²	73.5	78%	0.775	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	37.3	177.7	-60.7	-41.2	0	0	0	115.8	E275	D273-E275 VanDerWaalsContact C-N 3.3Å; D273-E275 PolarHBondContact O-N 3.03Å
274	K	65.7	Low	74.1	Confident	185 Å²	185	74.8 Å²	74.8	80%	0.804	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	-2.7	-176.7	-50.6	172.3	-179.2	170.9	0	116.2	K272	K272-K274 PolarHBondContact O-N 3.14Å
275	E	69.5	Low	74.1	Confident	139 Å²	139	73.7 Å²	73.7	65%	0.65	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.7	150.4	172.7	-62.7	-162.4	164.5	0	0	111.3	K271 K272 D273	K271-E275 CarbonylContact C-O 3.56Å; K271-E275 WeakPolarHBondContact CA-O 3.49Å; K272-E275 PolarHBondContact N-O 2.79Å; K272-E275 PolarHBondContact O-N 3.31Å; K272-E275 VanDerWaalsContact O-O 3.07Å; D273-E275 VanDerWaalsContact C-N 3.3Å; D273-E275 PolarHBondContact O-N 3.03Å
276	W	77.2	Confident	74.1	Confident	32 Å²	32	72.3 Å²	72.3	12%	0.121	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	132.8	174.1	-71.5	97.7	0	0	0	109.6	L269 R270 K271 P310 L366 V369	L269-W276 HydrophobicContact CB-CE3 4.08Å; L269-W276 HydrophobicContact CB-CZ3 4.03Å; R270-W276 CarbonylContact O-C 3.58Å; R270-W276 WeakPolarHBondContact O-CA 3.31Å; K271-W276 HydrophobicContact CB-CE3 4.36Å; W276-P310 HydrophobicContact CZ2-CG 4.23Å; W276-L366 HydrophobicContact CB-CD1 4.27Å; W276-L366 HydrophobicContact CD2-CD1 3.87Å; W276-L366 HydrophobicContact CE3-CD1 4.14Å; W276-L366 HydrophobicContact CG-CB 4.29Å; W276-L366 HydrophobicContact CG-CD1 3.94Å; W276-V369 HydrophobicContact CB-CB 4.49Å; W276-V369 HydrophobicContact CB-CG2 4.04Å; W276-V369 WeakPolarHBondContact O-CG2 3.4Å
277	E	77	Confident	73.9	Confident	102 Å²	102	74.3 Å²	74.3	48%	0.477	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	138.3	173.9	-68.1	-179.1	171.7	0	0	109.7	R270	R270-E277 PolarHBondContact N-O 3.47Å; R270-E277 PolarHBondContact O-N 2.75Å
278	I	77.8	Confident	73.9	Confident	45 Å²	45	74.1 Å²	74.1	23%	0.231	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	116.8	171.7	-74.4	169.7	0	0	0	108	V267 L269 V369 Y373	V267-I278 HydrophobicContact CB-CG2 3.69Å; V267-I278 HydrophobicContact CG1-CG2 3.73Å; V267-I278 HydrophobicContact CG2-CG2 3.93Å; L269-I278 HydrophobicContact CD2-CD1 4.49Å; L269-I278 HydrophobicContact CD2-CG1 3.66Å; I278-V369 HydrophobicContact CB-CG1 4.42Å; I278-V369 HydrophobicContact CD1-CG1 3.4Å; I278-V369 VanDerWaalsContact CD1-CG1 3.4Å; I278-V369 HydrophobicContact CG1-CG1 3.46Å; I278-V369 VanDerWaalsContact CG1-CG1 3.46Å; I278-Y373 HydrophobicContact CD1-CD2 4Å; I278-Y373 HydrophobicContact CD1-CG 4.01Å; I278-Y373 HydrophobicContact CG2-CD2 3.76Å; I278-Y373 HydrophobicContact CG2-CE2 3.99Å
279	G	72.8	Confident	74.4	Confident	26 Å²	26	72.2 Å²	72.2	27%	0.268	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	145.5	167.2	0	0	0	0	0	111	V267 S268 G281	V267-G279 CarbonylContact C-O 3.51Å; V267-G279 VanDerWaalsContact CA-O 3.28Å; V267-G279 WeakPolarHBondContact CA-O 3.3Å; V267-G279 VanDerWaalsContact CB-O 3.3Å; V267-G279 WeakPolarHBondContact CB-O 3.31Å; S268-G279 PolarHBondContact N-O 2.71Å; S268-G279 PolarHBondContact O-N 3.09Å; S268-G279 PolarHBondContact OG-O 2.92Å; G279-G281 PolarHBondContact O-N 3.2Å
280	Q	70.5	Confident	74.8	Confident	141 Å²	141	72 Å²	72	66%	0.659	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.8	132.9	176.4	-166.6	175.1	15.3	0	0	110.7	E290	Q280-E290 PolarHBondContact NE2-OE1 2.97Å; Q280-E290 VanDerWaalsContact NE2-OE1 3.08Å
281	G	63.5	Low	75.3	Confident	15 Å²	15	64.9 Å²	64.9	16%	0.155	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-73.3	133.8	174.9	0	0	0	0	0	110.7	P266 G279	P266-G281 VanDerWaalsContact O-CA 3.24Å; P266-G281 WeakPolarHBondContact O-CA 3.45Å; P266-G281 PolarHBondContact O-N 3.48Å; G279-G281 PolarHBondContact O-N 3.2Å
282	S	60	Low	76.1	Confident	124 Å²	124	60.8 Å²	60.8	87%	0.867	33%	0.333	S	S	*	.			trans	-96.2	20.8	-178.3	63.2	0	0	0	0	113.7
283	G	68.3	Low	77.2	Confident	27 Å²	27	54.9 Å²	54.9	28%	0.278	31%	0.308	S	S	.	.			trans	-79.2	148.4	-176.4	0	0	0	0	0	112.9	L285 V286 S287	G283-L285 VanDerWaalsContact C-N 3.25Å; G283-L285 PolarHBondContact O-N 3.15Å; G283-V286 WeakPolarHBondContact O-CB 3.37Å; G283-V286 PolarHBondContact O-N 3.06Å; G283-S287 PolarHBondContact O-N 3.48Å; G283-S287 PolarHBondContact O-OG 3.24Å; G283-S287 VanDerWaalsContact O-OG 3.14Å
284	G	74.3	Confident	78.3	Confident	36 Å²	36	51.9 Å²	51.9	37%	0.371	29%	0.292	S	S	.	.	H	α-helix	trans	-58.2	-35.5	175.6	0	0	0	0	0	113.5	S287 C288	G284-S287 PolarHBondContact O-N 3.07Å; G284-C288 PolarHBondContact O-N 3.12Å; G284-C288 PolarHBondContact O-SG 3.04Å
285	L	84.9	Confident	79.2	Confident	26 Å²	26	47.9 Å²	47.9	14%	0.136	27%	0.274	C	S	.	.	H	α-helix	trans	-64.3	-40.4	173.3	179.9	63.3	0	0	0	112.4	G283 C288 C289 W301 H454 H479	G283-L285 VanDerWaalsContact C-N 3.25Å; G283-L285 PolarHBondContact O-N 3.15Å; L285-C288 PolarHBondContact O-N 3.2Å; L285-C288 PolarHBondContact O-SG 3.17Å; L285-C289 PolarHBondContact O-N 3.35Å; L285-W301 HydrophobicContact CG-CZ2 4.39Å; L285-H454 HydrophobicContact CD1-CB 3.98Å; L285-H454 WeakPolarHBondContact CD1-ND1 3.47Å; L285-H454 HydrophobicContact CD2-CB 4.12Å; L285-H479 VanDerWaalsContact CD1-NE2 3.32Å; L285-H479 WeakPolarHBondContact CD1-NE2 3.38Å
286	V	84.8	Confident	79.9	Confident	9 Å²	9	44.1 Å²	44.1	6%	0.055	26%	0.259	C	S	.	.	H	α-helix	trans	-63.8	-48.9	177.7	-172.2	0	0	0	0	109.6	P266 G283 C288 C289 E290	P266-V286 HydrophobicContact CB-CG1 3.98Å; P266-V286 HydrophobicContact CB-CG2 4.44Å; P266-V286 WeakPolarHBondContact O-CG1 3.28Å; G283-V286 WeakPolarHBondContact O-CB 3.37Å; G283-V286 PolarHBondContact O-N 3.06Å; V286-C288 VanDerWaalsContact C-N 3.26Å; V286-C288 PolarHBondContact O-N 2.86Å; V286-C289 PolarHBondContact O-N 3.09Å; V286-E290 WeakPolarHBondContact O-CB 3.18Å; V286-E290 PolarHBondContact O-N 2.66Å
287	S	81.7	Confident	80.2	Confident	44 Å²	44	46.6 Å²	46.6	31%	0.308	28%	0.279	S	S	.	.	H	α-helix	trans	-58.7	-38.9	179.7	-55.4	0	0	0	0	111.6	G283 G284 P291 I788	G283-S287 PolarHBondContact O-N 3.48Å; G283-S287 PolarHBondContact O-OG 3.24Å; G283-S287 VanDerWaalsContact O-OG 3.14Å; G284-S287 PolarHBondContact O-N 3.07Å; S287-P291 WeakPolarHBondContact O-CD 3.29Å; S287-I788 VanDerWaalsContact O-CD1 3.27Å; S287-I788 WeakPolarHBondContact O-CD1 3.45Å
288	C	84.8	Confident	80.6	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.007	27%	0.268	C	S	.	.	H	α-helix	trans	-79.6	-32.5	-178.5	73.5	0	0	0	0	115.5	G284 L285 V286 P291 V558 I788 W791	G284-C288 PolarHBondContact O-N 3.12Å; G284-C288 PolarHBondContact O-SG 3.04Å; L285-C288 PolarHBondContact O-N 3.2Å; L285-C288 PolarHBondContact O-SG 3.17Å; V286-C288 VanDerWaalsContact C-N 3.26Å; V286-C288 PolarHBondContact O-N 2.86Å; C288-P291 WeakPolarHBondContact O-CD 3.47Å; C288-V558 HydrophobicContact CB-CG2 3.66Å; C288-I788 HydrophobicContact CB-CD1 3.72Å; C288-I788 HydrophobicContact CB-CG1 3.83Å; C288-W791 HydrophobicContact CB-CE3 3.96Å; C288-W791 HydrophobicContact CB-CH2 4.09Å; C288-W791 HydrophobicContact CB-CZ3 3.56Å; C288-W791 WeakPolarHBondContact O-CZ3 3.07Å; C288-W791 VanDerWaalsContact SG-CH2 3.59Å
289	C	89	Confident	81.3	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-84.6	-21.7	177	-61.5	0	0	0	0	112.9	L285 V286 P291 V292 M293 W301 H454	L285-C289 PolarHBondContact O-N 3.35Å; V286-C289 PolarHBondContact O-N 3.09Å; C289-P291 VanDerWaalsContact C-CD 3.46Å; C289-V292 WeakPolarHBondContact O-CB 3.48Å; C289-V292 PolarHBondContact O-N 3.03Å; C289-M293 HydrophobicContact CB-CG 4.27Å; C289-M293 VanDerWaalsContact O-CG 3.29Å; C289-M293 WeakPolarHBondContact O-CG 3.38Å; C289-M293 PolarHBondContact O-N 3.29Å; C289-W301 HydrophobicContact CB-CH2 3.63Å; C289-W301 HydrophobicContact CB-CZ3 3.64Å; C289-H454 PolarHBondContact SG-CE1 2.6Å
290	E	87	Confident	82.2	Confident	29 Å²	29	39.7 Å²	39.7	14%	0.136	25%	0.245	C	C	.	.	H	α-helix	trans	-49.4	-46.7	-178.3	-178.5	-171.6	-126.9	0	0	114.4	Q280 V286 V292 M293 N294 K561	Q280-E290 PolarHBondContact NE2-OE1 2.97Å; Q280-E290 VanDerWaalsContact NE2-OE1 3.08Å; V286-E290 WeakPolarHBondContact O-CB 3.18Å; V286-E290 PolarHBondContact O-N 2.66Å; E290-V292 PolarHBondContact O-N 2.89Å; E290-V292 VanDerWaalsContact O-N 3.17Å; E290-M293 PolarHBondContact O-N 3.21Å; E290-M293 VanDerWaalsContact O-N 3.14Å; E290-N294 WeakPolarHBondContact CG-ND2 3.43Å; E290-N294 WeakPolarHBondContact O-CB 3.5Å; E290-N294 PolarHBondContact O-N 2.84Å; E290-K561 IonicContact OE2-NZ 2.73Å; E290-K561 PolarHBondContact OE2-NZ 3.1Å
291	P	86.3	Confident	83.3	Confident	15 Å²	15	33 Å²	33	10%	0.097	21%	0.214	C	C	.	.	H	α-helix	trans	-62.1	-25.3	179.6	-21.4	32.7	0	0	0	113.8	S287 C288 C289 K295 I788 E789	S287-P291 WeakPolarHBondContact O-CD 3.29Å; C288-P291 WeakPolarHBondContact O-CD 3.47Å; C289-P291 VanDerWaalsContact C-CD 3.46Å; P291-K295 VanDerWaalsContact O-CD 3.3Å; P291-K295 WeakPolarHBondContact O-CD 3.44Å; P291-K295 VanDerWaalsContact O-CE 3.25Å; P291-K295 WeakPolarHBondContact O-CE 3.31Å; P291-K295 VanDerWaalsContact O-CG 3.28Å; P291-K295 WeakPolarHBondContact O-CG 3.48Å; P291-I788 HydrophobicContact CG-CG2 3.92Å; P291-E789 HydrophobicContact CB-CG 4.01Å; P291-E789 HydrophobicContact CG-CG 4.46Å
292	V	89.7	Confident	84.7	Confident	11 Å²	11	32.3 Å²	32.3	7%	0.067	21%	0.206	C	C	.	.	H	α-helix	trans	-81.6	-48.4	173.5	179.7	0	0	0	0	109.7	V258 C289 E290 N294 K295 N299 W452 L796	V258-V292 HydrophobicContact CB-CG1 4.17Å; V258-V292 HydrophobicContact CG1-CG1 4.32Å; V258-V292 HydrophobicContact CG2-CG1 3.88Å; C289-V292 WeakPolarHBondContact O-CB 3.48Å; C289-V292 PolarHBondContact O-N 3.03Å; E290-V292 PolarHBondContact O-N 2.89Å; E290-V292 VanDerWaalsContact O-N 3.17Å; V292-N294 VanDerWaalsContact C-N 3.35Å; V292-N294 PolarHBondContact O-N 2.97Å; V292-K295 PolarHBondContact O-N 3.38Å; V292-N299 PolarHBondContact O-ND2 3.3Å; V292-W452 HydrophobicContact CG2-CZ3 4.11Å; V292-L796 HydrophobicContact CB-CD1 4.48Å; V292-L796 HydrophobicContact CG1-CD1 3.77Å; V292-L796 HydrophobicContact CG2-CD1 3.81Å
293	M	90.6	Very high	86.2	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.5	-38.2	-173	-63.3	-59.3	-61.4	0	0	112.5	T260 C289 E290 K295 N299 W301 Y378	T260-M293 PolarHBondContact OG1-SD 3.35Å; C289-M293 HydrophobicContact CB-CG 4.27Å; C289-M293 VanDerWaalsContact O-CG 3.29Å; C289-M293 WeakPolarHBondContact O-CG 3.38Å; C289-M293 PolarHBondContact O-N 3.29Å; E290-M293 PolarHBondContact O-N 3.21Å; E290-M293 VanDerWaalsContact O-N 3.14Å; M293-K295 VanDerWaalsContact C-N 3.28Å; M293-K295 PolarHBondContact O-N 2.98Å; M293-N299 HydrophobicContact CE-CB 3.82Å; M293-N299 PolarHBondContact O-ND2 3.03Å; M293-N299 HydrophobicContact SD-CB 4.25Å; M293-W301 HydrophobicContact CE-CB 3.9Å; M293-W301 HydrophobicContact CE-CE3 4.09Å; M293-W301 HydrophobicContact CG-CE3 3.75Å; M293-W301 HydrophobicContact CG-CZ3 3.88Å; M293-W301 HydrophobicContact SD-CE3 4.32Å; M293-Y378 HydrophobicContact CB-CD1 3.64Å; M293-Y378 HydrophobicContact CB-CD2 4.42Å; M293-Y378 HydrophobicContact CB-CE1 3.74Å; M293-Y378 HydrophobicContact CB-CE2 4.49Å; M293-Y378 HydrophobicContact CB-CG 4Å; M293-Y378 HydrophobicContact CE-CD2 3.48Å; M293-Y378 VanDerWaalsContact CE-CD2 3.48Å; M293-Y378 HydrophobicContact CE-CE2 3.93Å; M293-Y378 HydrophobicContact CE-CG 3.84Å
294	N	88.4	Confident	87	Confident	83 Å²	83	25.3 Å²	25.3	44%	0.444	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-10.1	-179	-71.5	-11.3	0	0	0	114.4	E290 V292 Y378	E290-N294 WeakPolarHBondContact CG-ND2 3.43Å; E290-N294 WeakPolarHBondContact O-CB 3.5Å; E290-N294 PolarHBondContact O-N 2.84Å; V292-N294 VanDerWaalsContact C-N 3.35Å; V292-N294 PolarHBondContact O-N 2.97Å; N294-Y378 WeakPolarHBondContact OD1-CD1 3.42Å; N294-Y378 WeakPolarHBondContact OD1-CE1 3.44Å
295	K	84.9	Confident	87.4	Confident	100 Å²	100	24.9 Å²	24.9	44%	0.435	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-32	-179.2	-78.6	174.3	-179.1	178.8	0	113.3	H253 P291 V292 M293 E789	H253-K295 PolarHBondContact CD2-NZ 3.39Å; H253-K295 VanDerWaalsContact CG-NZ 3.32Å; H253-K295 PolarHBondContact ND1-NZ 3.22Å; H253-K295 PolarHBondContact NE2-NZ 2.89Å; P291-K295 VanDerWaalsContact O-CD 3.3Å; P291-K295 WeakPolarHBondContact O-CD 3.44Å; P291-K295 VanDerWaalsContact O-CE 3.25Å; P291-K295 WeakPolarHBondContact O-CE 3.31Å; P291-K295 VanDerWaalsContact O-CG 3.28Å; P291-K295 WeakPolarHBondContact O-CG 3.48Å; V292-K295 PolarHBondContact O-N 3.38Å; M293-K295 VanDerWaalsContact C-N 3.28Å; M293-K295 PolarHBondContact O-N 2.98Å; K295-E789 IonicContact NZ-OE2 3.37Å
296	D	84.8	Confident	86.7	Confident	61 Å²	61	24.5 Å²	24.5	33%	0.326	14%	0.144	S	C	.	.			trans	-133.1	118.7	177.5	-177.9	3	0	0	0	110.2	G298 N299	D296-G298 PolarHBondContact O-N 3.11Å; D296-G298 VanDerWaalsContact O-N 3.09Å; D296-G298 WeakPolarHBondContact OD1-CA 3.43Å; D296-G298 PolarHBondContact OD1-N 2.82Å; D296-N299 VanDerWaalsContact O-CB 3.25Å; D296-N299 WeakPolarHBondContact O-CB 3.33Å; D296-N299 PolarHBondContact O-N 3.48Å; D296-N299 PolarHBondContact O-ND2 3.29Å
297	P	83.6	Confident	85.7	Confident	84 Å²	84	26 Å²	26	55%	0.545	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-15.2	173.6	27.4	-36.1	0	0	0	113.2	N299 Q379	P297-N299 VanDerWaalsContact C-N 3.33Å; P297-Q379 PolarHBondContact O-NE2 3.43Å
298	G	84.6	Confident	84.5	Confident	23 Å²	23	28.4 Å²	28.4	24%	0.237	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-24	170.3	0	0	0	0	0	114	R257 D296	R257-G298 PolarHBondContact NE-O 3.38Å; R257-G298 PolarHBondContact NH2-O 3.46Å; D296-G298 PolarHBondContact O-N 3.11Å; D296-G298 VanDerWaalsContact O-N 3.09Å; D296-G298 WeakPolarHBondContact OD1-CA 3.43Å; D296-G298 PolarHBondContact OD1-N 2.82Å
299	N	92.5	Very high	83.3	Confident	4 Å²	4	29.4 Å²	29.4	2%	0.021	17%	0.169	C	C	.	.			trans	-55.6	151.5	179.8	-71.5	-25.2	0	0	0	111.6	V258 V292 M293 D296 P297 Y378 Q379	V258-N299 PolarHBondContact N-OD1 2.83Å; V258-N299 WeakPolarHBondContact O-CA 3.43Å; V292-N299 PolarHBondContact O-ND2 3.3Å; M293-N299 HydrophobicContact CE-CB 3.82Å; M293-N299 PolarHBondContact O-ND2 3.03Å; M293-N299 HydrophobicContact SD-CB 4.25Å; D296-N299 VanDerWaalsContact O-CB 3.25Å; D296-N299 WeakPolarHBondContact O-CB 3.33Å; D296-N299 PolarHBondContact O-N 3.48Å; D296-N299 PolarHBondContact O-ND2 3.29Å; P297-N299 VanDerWaalsContact C-N 3.33Å; N299-Y378 WeakPolarHBondContact O-CB 3.46Å; N299-Q379 WeakPolarHBondContact O-CB 3.47Å; N299-Q379 PolarHBondContact O-N 2.9Å
300	V	91.7	Very high	81.7	Confident	0 Å²	0	31 Å²	31	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	131	-176	-170.8	0	0	0	0	110.5	V258 I259 T260 L302 Q379 N381	V258-V300 PolarHBondContact O-N 3.41Å; I259-V300 CarbonylContact C-O 3.29Å; I259-V300 WeakPolarHBondContact CA-O 3.38Å; I259-V300 HydrophobicContact CG1-CB 4.14Å; I259-V300 HydrophobicContact CG1-CG2 4.26Å; I259-V300 HydrophobicContact CG2-CB 4.27Å; T260-V300 PolarHBondContact N-O 2.9Å; V300-L302 HydrophobicContact CG1-CD2 4.49Å; V300-L302 HydrophobicContact CG1-CG 4.16Å; V300-Q379 CarbonylContact C-O 3.48Å; V300-Q379 WeakPolarHBondContact CA-O 3.38Å; V300-Q379 HydrophobicContact CB-CB 4.45Å; V300-Q379 HydrophobicContact CG1-CB 4.31Å; V300-Q379 HydrophobicContact CG2-CB 4.13Å; V300-N381 HydrophobicContact CG1-CB 4Å; V300-N381 WeakPolarHBondContact CG1-ND2 3.49Å
301	W	94.1	Very high	80.1	Confident	1 Å²	1	30.8 Å²	30.8	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	114.9	168	-160.2	-49.9	0	0	0	109.8	T260 S262 P266 L285 C289 M293 Y378 Q379 L380 N381	T260-W301 HydrophobicContact CG2-CD2 3.95Å; T260-W301 HydrophobicContact CG2-CE3 4.25Å; T260-W301 HydrophobicContact CG2-CG 4.44Å; T260-W301 HydrophobicContact CG2-CH2 4.25Å; T260-W301 HydrophobicContact CG2-CZ2 3.99Å; T260-W301 HydrophobicContact CG2-CZ3 4.4Å; T260-W301 CarbonylContact O-C 3.59Å; T260-W301 WeakPolarHBondContact O-CA 3.47Å; S262-W301 PolarHBondContact OG-NE1 2.89Å; P266-W301 HydrophobicContact CB-CD2 3.67Å; P266-W301 HydrophobicContact CB-CE3 3.63Å; P266-W301 HydrophobicContact CB-CG 4.33Å; P266-W301 HydrophobicContact CB-CH2 4.05Å; P266-W301 HydrophobicContact CB-CZ2 4.06Å; P266-W301 HydrophobicContact CB-CZ3 3.82Å; P266-W301 HydrophobicContact CG-CB 4.2Å; P266-W301 HydrophobicContact CG-CD2 3.56Å; P266-W301 HydrophobicContact CG-CE3 3.9Å; P266-W301 HydrophobicContact CG-CG 3.66Å; L285-W301 HydrophobicContact CG-CZ2 4.39Å; C289-W301 HydrophobicContact CB-CH2 3.63Å; C289-W301 HydrophobicContact CB-CZ3 3.64Å; M293-W301 HydrophobicContact CE-CB 3.9Å; M293-W301 HydrophobicContact CE-CE3 4.09Å; M293-W301 HydrophobicContact CG-CE3 3.75Å; M293-W301 HydrophobicContact CG-CZ3 3.88Å; M293-W301 HydrophobicContact SD-CE3 4.32Å; W301-Y378 HydrophobicContact CB-CD2 4.03Å; W301-Y378 HydrophobicContact CB-CE2 3.67Å; W301-Y378 HydrophobicContact CD2-CE2 4.38Å; W301-Y378 AromaticContact CE3-CE2 3.85Å; W301-Y378 HydrophobicContact CE3-CE2 3.85Å; W301-Y378 AromaticContact CE3-CZ 3.99Å; W301-Y378 HydrophobicContact CG-CE2 4.36Å; W301-Q379 PolarHBondContact N-O 3.32Å; W301-L380 HydrophobicContact CB-CD2 3.92Å; W301-N381 PolarHBondContact O-N 2.77Å
302	L	92	Very high	78	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	118.3	173.8	-70.8	166.8	0	0	0	110.2	I259 T260 V261 S262 V300 N381 V383 N440 A441 N444	I259-L302 HydrophobicContact CG2-CD1 3.68Å; I259-L302 HydrophobicContact CG2-CG 4.35Å; T260-L302 PolarHBondContact O-N 3.13Å; V261-L302 WeakPolarHBondContact CA-O 3.37Å; V261-L302 HydrophobicContact CB-CB 4.45Å; V261-L302 HydrophobicContact CG1-CB 4.13Å; V261-L302 HydrophobicContact CG2-CB 4.22Å; V261-L302 HydrophobicContact CG2-CD1 4.03Å; S262-L302 PolarHBondContact N-O 3.5Å; V300-L302 HydrophobicContact CG1-CD2 4.49Å; V300-L302 HydrophobicContact CG1-CG 4.16Å; L302-N381 WeakPolarHBondContact CA-O 3.27Å; L302-N381 HydrophobicContact CD2-CB 3.39Å; L302-N381 HydrophobicContact CG-CB 4.37Å; L302-V383 HydrophobicContact CB-CG2 4.24Å; L302-V383 HydrophobicContact CD2-CG2 4.32Å; L302-N440 HydrophobicContact CD2-CB 4.5Å; L302-A441 VanDerWaalsContact CD1-CA 3.43Å; L302-A441 HydrophobicContact CD1-CB 4.02Å; L302-N444 HydrophobicContact CD1-CB 4.34Å
303	A	91.8	Very high	75.4	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	156.6	179	0	0	0	0	0	113.8	S262 P265 F305 N381 P382 V383	S262-A303 VanDerWaalsContact O-CA 3.24Å; S262-A303 WeakPolarHBondContact O-CA 3.42Å; S262-A303 WeakPolarHBondContact O-CB 3.37Å; P265-A303 VanDerWaalsContact CA-CB 3.5Å; P265-A303 HydrophobicContact CB-CB 3.89Å; A303-F305 HydrophobicContact CB-CE2 4.43Å; A303-F305 WeakPolarHBondContact O-CD2 3.33Å; A303-N381 PolarHBondContact N-O 2.79Å; A303-P382 WeakPolarHBondContact O-CA 3.21Å; A303-V383 PolarHBondContact O-N 3.14Å
304	C	86.2	Confident	72.6	Confident	4 Å²	4	47.7 Å²	47.7	3%	0.027	27%	0.265	C	S	.	.			trans	-86.7	118.9	169.6	-172.5	0	0	0	0	109.1	G306 V385 F437	C304-G306 PolarHBondContact O-N 3.35Å; C304-V385 HydrophobicContact CB-CG2 4.34Å; C304-F437 HydrophobicContact CB-CE2 4.3Å; C304-F437 HydrophobicContact CB-CZ 3.71Å
305	F	81.3	Confident	69.6	Low	28 Å²	28	49.5 Å²	49.5	12%	0.123	29%	0.285	C	S	.	.			trans	-85.6	12.5	178.3	-69.1	-97.8	0	0	0	113	P265 V267 L269 A303 V309 F370 P382	P265-F305 HydrophobicContact CB-CD1 3.64Å; P265-F305 HydrophobicContact CB-CE1 3.49Å; P265-F305 VanDerWaalsContact CB-CE1 3.49Å; P265-F305 HydrophobicContact CB-CE2 4.39Å; P265-F305 HydrophobicContact CB-CG 4.18Å; P265-F305 HydrophobicContact CB-CZ 3.9Å; P265-F305 HydrophobicContact CG-CD1 4.12Å; P265-F305 HydrophobicContact CG-CE1 4.4Å; V267-F305 HydrophobicContact CG2-CE1 3.68Å; V267-F305 HydrophobicContact CG2-CZ 4.33Å; L269-F305 HydrophobicContact CD1-CB 4.12Å; L269-F305 HydrophobicContact CD1-CD1 3.56Å; L269-F305 HydrophobicContact CD1-CE1 4.26Å; L269-F305 HydrophobicContact CD1-CG 4.04Å; L269-F305 HydrophobicContact CG-CD1 3.99Å; L269-F305 HydrophobicContact CG-CE1 4.42Å; A303-F305 HydrophobicContact CB-CE2 4.43Å; A303-F305 WeakPolarHBondContact O-CD2 3.33Å; F305-V309 HydrophobicContact CB-CB 4.46Å; F305-V309 HydrophobicContact CB-CG2 3.84Å; F305-V309 VanDerWaalsContact O-CG2 3.25Å; F305-V309 WeakPolarHBondContact O-CG2 3.28Å; F305-F370 HydrophobicContact CD1-CZ 4.43Å; F305-F370 HydrophobicContact CD2-CZ 4.39Å; F305-F370 HydrophobicContact CE1-CE1 4.11Å; F305-F370 HydrophobicContact CE1-CZ 4.19Å; F305-F370 HydrophobicContact CE2-CE1 4.2Å; F305-F370 HydrophobicContact CE2-CZ 4.16Å; F305-F370 AromaticContact CZ-CE1 3.79Å; F305-F370 HydrophobicContact CZ-CE1 3.79Å; F305-F370 HydrophobicContact CZ-CZ 4.06Å; F305-P382 HydrophobicContact CD2-CB 3.69Å; F305-P382 HydrophobicContact CE2-CB 3.93Å
306	G	71.1	Confident	66.8	Low	18 Å²	18	54.6 Å²	54.6	19%	0.186	30%	0.301	C	S	.	.			trans	88.9	168.6	-177.6	0	0	0	0	0	113.9	C304 N308	C304-G306 PolarHBondContact O-N 3.35Å; G306-N308 VanDerWaalsContact C-N 3.32Å; G306-N308 PolarHBondContact O-N 3.44Å
307	P	63.4	Low	63.9	Low	39 Å²	39	56.8 Å²	56.8	25%	0.253	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-22.5	-173.2	28.1	-34.9	0	0	0	114.1	V309 E387 Y390	P307-V309 VanDerWaalsContact C-N 3.31Å; P307-V309 PolarHBondContact O-N 2.84Å; P307-E387 HydrophobicContact CB-CB 3.74Å; P307-E387 HydrophobicContact CB-CG 3.72Å; P307-E387 HydrophobicContact CG-CG 4.21Å; P307-Y390 HydrophobicContact CG-CD1 4.05Å; P307-Y390 HydrophobicContact CG-CG 4.46Å
308	N	56.9	Low	61.2	Low	96 Å²	96	58 Å²	58	51%	0.513	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	1.4	-173.4	-63.6	-37.6	0	0	0	114.4	L183 G306 P310	L183-N308 WeakPolarHBondContact CD1-ND2 3.25Å; G306-N308 VanDerWaalsContact C-N 3.32Å; G306-N308 PolarHBondContact O-N 3.44Å; N308-P310 WeakPolarHBondContact O-CD 3.41Å
309	V	59.8	Low	58.5	Low	22 Å²	22	63 Å²	63	13%	0.133	35%	0.349	C	S	.	.	S	Bend	trans	-89.2	116.5	177.4	-172.6	0	0	0	0	108.1	L269 F305 P307 L311 L366	L269-V309 HydrophobicContact CD1-CG1 4.07Å; L269-V309 HydrophobicContact CD1-CG2 4.15Å; F305-V309 HydrophobicContact CB-CB 4.46Å; F305-V309 HydrophobicContact CB-CG2 3.84Å; F305-V309 VanDerWaalsContact O-CG2 3.25Å; F305-V309 WeakPolarHBondContact O-CG2 3.28Å; P307-V309 VanDerWaalsContact C-N 3.31Å; P307-V309 PolarHBondContact O-N 2.84Å; V309-L311 VanDerWaalsContact C-N 3.25Å; V309-L311 HydrophobicContact CB-CD1 4.3Å; V309-L311 HydrophobicContact CG1-CD1 3.52Å; V309-L311 HydrophobicContact CG1-CG 3.81Å; V309-L311 PolarHBondContact O-N 2.84Å; V309-L366 HydrophobicContact CG1-CD2 3.3Å
310	P	54.1	Low	55.3	Low	32 Å²	32	68.8 Å²	68.8	21%	0.208	39%	0.386	C	S	.	.			trans	-73.8	80	-175.8	30.7	-34.5	0	0	0	109.5	W276 N308 Q363	W276-P310 HydrophobicContact CZ2-CG 4.23Å; N308-P310 WeakPolarHBondContact O-CD 3.41Å; P310-Q363 WeakPolarHBondContact O-CG 2.79Å
311	L	54.2	Low	52.4	Low	26 Å²	26	76.6 Å²	76.6	14%	0.136	43%	0.427	C	S	.	.			trans	-117.5	114.9	175.9	-72.9	162.3	0	0	0	108.7	V309 L366 L367 F370 P382 V384	V309-L311 VanDerWaalsContact C-N 3.25Å; V309-L311 HydrophobicContact CB-CD1 4.3Å; V309-L311 HydrophobicContact CG1-CD1 3.52Å; V309-L311 HydrophobicContact CG1-CG 3.81Å; V309-L311 PolarHBondContact O-N 2.84Å; L311-L366 HydrophobicContact CD1-CD2 4.2Å; L311-L366 HydrophobicContact CD2-CD2 3.72Å; L311-L366 HydrophobicContact CD2-CG 4.48Å; L311-L366 HydrophobicContact CG-CD2 3.76Å; L311-L367 HydrophobicContact CD2-CD2 4.45Å; L311-F370 HydrophobicContact CD1-CE2 4.33Å; L311-F370 HydrophobicContact CD2-CE2 4.49Å; L311-P382 HydrophobicContact CD1-CB 3.49Å; L311-P382 VanDerWaalsContact CD1-CB 3.49Å; L311-P382 HydrophobicContact CD1-CG 3.59Å; L311-P382 HydrophobicContact CD2-CG 4.32Å; L311-V384 HydrophobicContact CB-CG2 3.93Å; L311-V384 WeakPolarHBondContact O-CG2 3.32Å
312	R	42	Very low	49.5	Very low	165 Å²	165	81.9 Å²	81.9	62%	0.623	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-103.6	140.1	166.2	-71.2	-169.2	-171.1	175.3	11.9	109.9	P314 E359	R312-P314 WeakPolarHBondContact O-CD 3.22Å; R312-E359 IonicContact CZ-OE1 2.65Å; R312-E359 IonicContact NE-OE1 3.94Å; R312-E359 IonicContact NH2-OE1 3.99Å; R312-E359 PolarHBondContact NH2-OE1 3.28Å; R312-E359 VanDerWaalsContact NH2-OE1 3.14Å; R312-E359 IonicContact NH2-OE2 3.41Å
313	T	34.9	Very low	46.7	Very low	100 Å²	100	85.8 Å²	85.8	61%	0.613	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-65.9	121.9	176.4	-31.8	0	0	0	0	109.9
314	P	31.4	Very low	44	Very low	115 Å²	115	88.9 Å²	88.9	75%	0.747	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-62.9	139.9	175.3	-20.1	31.3	0	0	0	111.6	R312	R312-P314 WeakPolarHBondContact O-CD 3.22Å
315	S	27.2	Very low	41.6	Very low	122 Å²	122	92.1 Å²	92.1	85%	0.853	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-71.6	143.8	174.1	75.2	0	0	0	0	111.2
316	R	24.4	Very low	39.7	Very low	206 Å²	206	92 Å²	92	78%	0.777	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-56.2	143.8	-169.6	-165.8	178.3	171.8	172.3	-1.3	113.9	D318	R316-D318 IonicContact CZ-OD1 3.87Å; R316-D318 VanDerWaalsContact CZ-OD1 3.27Å; R316-D318 IonicContact NE-OD1 3.14Å; R316-D318 PolarHBondContact NE-OD1 3.4Å; R316-D318 IonicContact NE-OD2 2.91Å; R316-D318 IonicContact NH2-OD1 3.72Å; R316-D318 PolarHBondContact NH2-OD1 3.03Å; R316-D318 VanDerWaalsContact NH2-OD1 3.11Å
317	C	25.5	Very low	38.2	Very low	108 Å²	108	92.3 Å²	92.3	73%	0.73	53%	0.527	S	S	*	.			trans	-116.8	120.2	163.2	-150	0	0	0	0	108.2
318	D	25.7	Very low	37.1	Very low	110 Å²	110	91 Å²	91	59%	0.588	52%	0.517	S	S	*	.			trans	-96.5	109.8	178.1	-74.2	-46	0	0	0	108.7	R316	R316-D318 IonicContact CZ-OD1 3.87Å; R316-D318 VanDerWaalsContact CZ-OD1 3.27Å; R316-D318 IonicContact NE-OD1 3.14Å; R316-D318 PolarHBondContact NE-OD1 3.4Å; R316-D318 IonicContact NE-OD2 2.91Å; R316-D318 IonicContact NH2-OD1 3.72Å; R316-D318 PolarHBondContact NH2-OD1 3.03Å; R316-D318 VanDerWaalsContact NH2-OD1 3.11Å
319	T	28.3	Very low	36.2	Very low	128 Å²	128	87.8 Å²	87.8	79%	0.785	51%	0.507	S	S	*	.			trans	-154.8	104.6	154.5	-10.2	0	0	0	0	109.7
320	P	26.1	Very low	35.3	Very low	124 Å²	124	87.7 Å²	87.7	81%	0.805	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-83.1	126.5	173.8	29.4	-27.1	0	0	0	110.2
321	L	29.9	Very low	34.3	Very low	165 Å²	165	88.7 Å²	88.7	86%	0.864	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-96.5	139.4	162.4	-82	161.9	0	0	0	108.9
322	P	34.3	Very low	33.3	Very low	111 Å²	111	90.7 Å²	90.7	72%	0.721	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-71.8	141.8	-179	27.5	-31.5	0	0	0	111.5
323	P	32.9	Very low	33.1	Very low	83 Å²	83	88.4 Å²	88.4	54%	0.539	52%	0.522	S	S	.	.	P	Polyproline II helix	trans	-72.9	132.5	-180	28.9	-31.7	0	0	0	110.4	P331	P323-P331 HydrophobicContact CB-CB 4.15Å; P323-P331 HydrophobicContact CG-CB 4.34Å
324	P	35	Very low	33	Very low	65 Å²	65	91.1 Å²	91.1	42%	0.422	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-66.7	158.8	170.5	27.9	-30.9	0	0	0	110.1	P331 L332	P324-P331 CarbonylContact O-C 3.36Å; P324-P331 WeakPolarHBondContact O-CA 3.26Å; P324-L332 HydrophobicContact CB-CD1 4.29Å; P324-L332 HydrophobicContact CG-CB 4.3Å; P324-L332 HydrophobicContact CG-CD1 4.48Å; P324-L332 PolarHBondContact O-N 3.36Å
325	T	34.7	Very low	32.9	Very low	71 Å²	71	94.9 Å²	94.9	44%	0.436	53%	0.529	S	S	.	.	B	Isolated β-bridge	trans	-116.2	154.6	-174	53.9	0	0	0	0	113.2	G329 L330 L332	T325-G329 VanDerWaalsContact CB-C 3.43Å; T325-G329 WeakPolarHBondContact CG2-O 3.42Å; T325-L330 CarbonylContact C-O 3.54Å; T325-L330 VanDerWaalsContact C-O 3.32Å; T325-L330 WeakPolarHBondContact CA-O 3.34Å; T325-L330 WeakPolarHBondContact CB-O 3.46Å; T325-L332 VanDerWaalsContact O-CD1 3.3Å; T325-L332 WeakPolarHBondContact O-CD1 3.37Å
326	N	42.5	Very low	33	Very low	25 Å²	25	94.8 Å²	94.8	13%	0.134	52%	0.523	C	S	.	.			trans	-74.9	-179.2	172.1	72.5	5.5	0	0	0	110.4	L328 G329 L330 L332	N326-L328 PolarHBondContact O-N 3.35Å; N326-L328 VanDerWaalsContact O-N 3.11Å; N326-L328 WeakPolarHBondContact OD1-CA 3.5Å; N326-L328 WeakPolarHBondContact OD1-CB 3.49Å; N326-L328 PolarHBondContact OD1-N 3.04Å; N326-G329 PolarHBondContact O-N 3.19Å; N326-G329 PolarHBondContact OD1-N 2.72Å; N326-L330 PolarHBondContact N-O 2.95Å; N326-L330 WeakPolarHBondContact OD1-CB 3.36Å; N326-L330 PolarHBondContact OD1-N 2.96Å; N326-L330 PolarHBondContact OD1-O 3.44Å; N326-L332 HydrophobicContact CB-CD2 3.76Å; N326-L332 HydrophobicContact CB-CG 4.35Å
327	S	38.8	Very low	33	Very low	26 Å²	26	90.9 Å²	90.9	18%	0.182	52%	0.518	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-25.6	-179.8	55.2	0	0	0	0	114.5	N906	S327-N906 PolarHBondContact OG-OD1 3.32Å
328	L	40.2	Very low	33.1	Very low	11 Å²	11	89.3 Å²	89.3	6%	0.058	51%	0.513	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-8.2	174.2	-67.2	178.8	0	0	0	113.7	N326 L330 F898 L907 R979	N326-L328 PolarHBondContact O-N 3.35Å; N326-L328 VanDerWaalsContact O-N 3.11Å; N326-L328 WeakPolarHBondContact OD1-CA 3.5Å; N326-L328 WeakPolarHBondContact OD1-CB 3.49Å; N326-L328 PolarHBondContact OD1-N 3.04Å; L328-L330 HydrophobicContact CB-CD1 4.36Å; L328-L330 HydrophobicContact CB-CG 4.22Å; L328-L330 HydrophobicContact CD1-CD1 4.4Å; L328-F898 HydrophobicContact CD1-CE1 3.74Å; L328-F898 HydrophobicContact CD1-CZ 3.56Å; L328-F898 HydrophobicContact CG-CZ 4.3Å; L328-L907 HydrophobicContact CD2-CD1 4.29Å; L328-L907 HydrophobicContact CD2-CD2 4.12Å; L328-R979 PolarHBondContact O-NH1 2.74Å
329	G	39	Very low	33.2	Very low	29 Å²	29	90.2 Å²	90.2	30%	0.299	52%	0.518	S	S	.	.	S	Bend	trans	86.7	17.1	-173.6	0	0	0	0	0	114.2	T325 N326	T325-G329 VanDerWaalsContact CB-C 3.43Å; T325-G329 WeakPolarHBondContact CG2-O 3.42Å; N326-G329 PolarHBondContact O-N 3.19Å; N326-G329 PolarHBondContact OD1-N 2.72Å
330	L	40	Very low	33.2	Very low	20 Å²	20	89.8 Å²	89.8	11%	0.105	52%	0.515	C	S	.	.	P	Polyproline II helix	trans	-94.1	144.6	176.8	-55.7	173.8	0	0	0	111.3	T325 N326 L328 L332 V834	T325-L330 CarbonylContact C-O 3.54Å; T325-L330 VanDerWaalsContact C-O 3.32Å; T325-L330 WeakPolarHBondContact CA-O 3.34Å; T325-L330 WeakPolarHBondContact CB-O 3.46Å; N326-L330 PolarHBondContact N-O 2.95Å; N326-L330 WeakPolarHBondContact OD1-CB 3.36Å; N326-L330 PolarHBondContact OD1-N 2.96Å; N326-L330 PolarHBondContact OD1-O 3.44Å; L328-L330 HydrophobicContact CB-CD1 4.36Å; L328-L330 HydrophobicContact CB-CG 4.22Å; L328-L330 HydrophobicContact CD1-CD1 4.4Å; L330-L332 PolarHBondContact O-N 2.91Å; L330-V834 HydrophobicContact CD1-CG1 3.55Å; L330-V834 WeakPolarHBondContact CD2-O 3.39Å
331	P	33.4	Very low	33.2	Very low	53 Å²	53	92.8 Å²	92.8	34%	0.344	51%	0.512	S	S	.	.	B	Isolated β-bridge	trans	-51.9	130.9	-177.7	-25.3	33.5	0	0	0	114.3	P323 P324	P323-P331 HydrophobicContact CB-CB 4.15Å; P323-P331 HydrophobicContact CG-CB 4.34Å; P324-P331 CarbonylContact O-C 3.36Å; P324-P331 WeakPolarHBondContact O-CA 3.26Å
332	L	33.5	Very low	33	Very low	67 Å²	67	90 Å²	90	35%	0.351	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-78.6	127.2	168.5	-71.4	169.2	0	0	0	109.6	P324 T325 N326 L330 K334	P324-L332 HydrophobicContact CB-CD1 4.29Å; P324-L332 HydrophobicContact CG-CB 4.3Å; P324-L332 HydrophobicContact CG-CD1 4.48Å; P324-L332 PolarHBondContact O-N 3.36Å; T325-L332 VanDerWaalsContact O-CD1 3.3Å; T325-L332 WeakPolarHBondContact O-CD1 3.37Å; N326-L332 HydrophobicContact CB-CD2 3.76Å; N326-L332 HydrophobicContact CB-CG 4.35Å; L330-L332 PolarHBondContact O-N 2.91Å; L332-K334 PolarHBondContact O-N 3.36Å
333	I	37.9	Very low	32.6	Very low	118 Å²	118	89.5 Å²	89.5	61%	0.605	50%	0.496	S	S	*	.			trans	-75.8	105.6	-178.4	-58.4	170.8	0	0	0	108.7
334	K	33.4	Very low	32.3	Very low	156 Å²	156	93.9 Å²	93.9	68%	0.678	51%	0.511	S	S	*	.			trans	-99.3	134.5	171.1	-93.7	-169.7	176.5	-178.9	0	112.7	L332 V336	L332-K334 PolarHBondContact O-N 3.36Å; K334-V336 PolarHBondContact O-N 3.45Å
335	K	27.5	Very low	32	Very low	194 Å²	194	98 Å²	98	84%	0.843	53%	0.529	S	S	*	.			trans	-65.5	103.5	154.1	-78.5	177.4	175.9	173.4	0	108.2	D337	K335-D337 PolarHBondContact O-N 3.3Å
336	V	29.9	Very low	31.6	Very low	120 Å²	120	103.4 Å²	103.4	73%	0.727	55%	0.549	S	S	*	.			trans	-74.4	114.9	176	176.9	0	0	0	0	109.2	K334	K334-V336 PolarHBondContact O-N 3.45Å
337	D	25.6	Very low	31.1	Very low	124 Å²	124	109.2 Å²	109.2	66%	0.663	58%	0.58	S	S	*	*			trans	-65.4	129	177	-98.7	-43.6	0	0	0	112.2	K335 N339	K335-D337 PolarHBondContact O-N 3.3Å; D337-N339 PolarHBondContact O-N 3Å
338	A	27.8	Very low	31	Very low	76 Å²	76	114.1 Å²	114.1	63%	0.628	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	3.9	-179.9	0	0	0	0	0	115.1
339	N	26.5	Very low	30.7	Very low	128 Å²	128	117.4 Å²	117.4	68%	0.684	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-14	-170	-78.8	-33.4	0	0	0	115.4	D337 Y341	D337-N339 PolarHBondContact O-N 3Å; N339-Y341 VanDerWaalsContact C-N 3.33Å; N339-Y341 PolarHBondContact O-N 3.43Å
340	V	28	Very low	30.6	Very low	120 Å²	120	125.6 Å²	125.6	73%	0.727	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-75.9	-21.9	-179.6	-178	0	0	0	0	112.4	L342	V340-L342 VanDerWaalsContact C-N 3.28Å; V340-L342 PolarHBondContact O-N 2.69Å
341	Y	25.7	Very low	30.2	Very low	187 Å²	187	131.6 Å²	131.6	73%	0.733	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-75.5	-8.5	-177.7	-69.4	-74.5	0	0	0	115	N339	N339-Y341 VanDerWaalsContact C-N 3.33Å; N339-Y341 PolarHBondContact O-N 3.43Å
342	L	27.5	Very low	30.5	Very low	107 Å²	107	138.1 Å²	138.1	56%	0.56	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-95.6	-9.2	-172.7	-110.9	96.6	0	0	0	116.1	V340	V340-L342 VanDerWaalsContact C-N 3.28Å; V340-L342 PolarHBondContact O-N 2.69Å
343	S	25.7	Very low	30.9	Very low	100 Å²	100	140 Å²	140	70%	0.699	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	2.2	-174.1	65.6	0	0	0	0	115.7
344	M	26.1	Very low	31.2	Very low	175 Å²	175	138.6 Å²	138.6	86%	0.862	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108	10.7	-175.9	-79	-162.5	169.1	0	0	116.2
345	L	28.2	Very low	31.9	Very low	151 Å²	151	133.6 Å²	133.6	79%	0.791	74%	0.735	S	S	*	*			trans	-106.4	37.9	179.2	-69.3	170.7	0	0	0	114
346	Q	27.4	Very low	32.7	Very low	185 Å²	185	127.6 Å²	127.6	86%	0.864	71%	0.714	S	S	*	*			trans	-107.9	90.4	164.8	-75.1	-177.1	-10.7	0	0	109.8
347	D	31.4	Very low	33.4	Very low	146 Å²	146	126.1 Å²	126.1	78%	0.781	70%	0.701	S	S	*	*				-169.7	115.3	124.1	-133.4	-19.1	0	0	0	110.6	A349	D347-A349 PolarHBondContact O-N 3.37Å
348	P	37.6	Very low	34.6	Very low	130 Å²	130	126.4 Å²	126.4	84%	0.844	70%	0.696	S	S	*	*			trans	-88.8	89.7	177.6	33.9	-27.3	0	0	0	109.2
349	A	32.1	Very low	35.6	Very low	80 Å²	80	126 Å²	126	66%	0.661	68%	0.681	S	S	*	*			trans	-130.7	85.6	174.5	0	0	0	0	0	111	D347	D347-A349 PolarHBondContact O-N 3.37Å
350	K	37.2	Very low	36.7	Very low	201 Å²	201	123.1 Å²	123.1	87%	0.874	67%	0.665	S	S	*	*			trans	160.8	94.4	135.4	-87.4	171.9	-177.7	-175.6	0	109.4	E352	K350-E352 PolarHBondContact O-N 2.92Å
351	D	32.4	Very low	38	Very low	145 Å²	145	126 Å²	126	78%	0.775	66%	0.663	S	S	*	*			trans	-52.9	122.8	153.9	-80.1	-47.7	0	0	0	108.9
352	E	38.7	Very low	39.4	Very low	190 Å²	190	119.5 Å²	119.5	89%	0.888	64%	0.639	S	S	*	*			trans	-176	19.4	138.4	-103.8	-180	-163.7	0	0	116.4	K350	K350-E352 PolarHBondContact O-N 2.92Å
353	D	42.5	Very low	40.7	Very low	106 Å²	106	116.2 Å²	116.2	57%	0.567	62%	0.621	S	S	*	*			trans	-134.6	96.8	165.6	-105	-36.9	0	0	0	112	G355 V356 M357	D353-G355 PolarHBondContact O-N 2.69Å; D353-V356 HydrophobicContact CB-CB 3.81Å; D353-V356 HydrophobicContact CB-CG2 3.7Å; D353-V356 PolarHBondContact O-N 3.39Å; D353-V356 VanDerWaalsContact O-N 3.16Å; D353-M357 WeakPolarHBondContact O-CB 3.41Å; D353-M357 WeakPolarHBondContact O-CG 3.35Å; D353-M357 PolarHBondContact O-N 3.42Å
354	A	44.3	Very low	42.1	Very low	90 Å²	90	117 Å²	117	74%	0.744	62%	0.615	S	S	*	*	H	α-helix	trans	-58.1	-28.2	176.2	0	0	0	0	0	112.4	K358	A354-K358 VanDerWaalsContact O-CB 3.27Å; A354-K358 WeakPolarHBondContact O-CB 3.24Å; A354-K358 PolarHBondContact O-N 3.05Å
355	G	48.2	Very low	44.1	Very low	50 Å²	50	110.6 Å²	110.6	52%	0.515	59%	0.587	S	S	.	*	H	α-helix	trans	-69.8	-48.4	174.1	0	0	0	0	0	112.7	D353 K358 E359	D353-G355 PolarHBondContact O-N 2.69Å; G355-K358 WeakPolarHBondContact O-CB 3.4Å; G355-K358 PolarHBondContact O-N 3.22Å; G355-E359 PolarHBondContact O-N 3.23Å
356	V	44.8	Very low	46.1	Very low	68 Å²	68	103.4 Å²	103.4	41%	0.412	55%	0.549	S	S	.	.	H	α-helix	trans	-66.4	-41.3	177.9	178.6	0	0	0	0	110.7	D353 K358 E359 I360	D353-V356 HydrophobicContact CB-CB 3.81Å; D353-V356 HydrophobicContact CB-CG2 3.7Å; D353-V356 PolarHBondContact O-N 3.39Å; D353-V356 VanDerWaalsContact O-N 3.16Å; V356-K358 VanDerWaalsContact C-N 3.32Å; V356-K358 PolarHBondContact O-N 3.13Å; V356-E359 PolarHBondContact O-N 3.5Å; V356-I360 HydrophobicContact CG1-CD1 3.74Å; V356-I360 HydrophobicContact CG1-CG1 4.25Å; V356-I360 WeakPolarHBondContact O-CB 3.06Å; V356-I360 VanDerWaalsContact O-CG1 3.26Å; V356-I360 WeakPolarHBondContact O-CG1 3.42Å; V356-I360 PolarHBondContact O-N 3.01Å
357	M	43.8	Very low	48.1	Very low	90 Å²	90	98.3 Å²	98.3	44%	0.443	53%	0.528	S	S	.	.	H	α-helix	trans	-66	-33.3	176.3	-72.2	-63.6	-84	0	0	112.5	D353 I360 R361	D353-M357 WeakPolarHBondContact O-CB 3.41Å; D353-M357 WeakPolarHBondContact O-CG 3.35Å; D353-M357 PolarHBondContact O-N 3.42Å; M357-I360 HydrophobicContact SD-CD1 4.43Å; M357-R361 WeakPolarHBondContact O-CB 3.44Å; M357-R361 PolarHBondContact O-N 2.67Å
358	K	50.9	Low	50	Low	130 Å²	130	93.1 Å²	93.1	57%	0.565	51%	0.509	S	S	*	.	H	α-helix	trans	-65.2	-47.3	171.1	-176.7	-175.3	174.6	-170.8	0	110.8	A354 G355 V356 R361 E362	A354-K358 VanDerWaalsContact O-CB 3.27Å; A354-K358 WeakPolarHBondContact O-CB 3.24Å; A354-K358 PolarHBondContact O-N 3.05Å; G355-K358 WeakPolarHBondContact O-CB 3.4Å; G355-K358 PolarHBondContact O-N 3.22Å; V356-K358 VanDerWaalsContact C-N 3.32Å; V356-K358 PolarHBondContact O-N 3.13Å; K358-R361 PolarHBondContact O-N 2.85Å; K358-E362 WeakPolarHBondContact O-CB 3.22Å; K358-E362 WeakPolarHBondContact O-CG 3.4Å; K358-E362 PolarHBondContact O-N 3.49Å
359	E	48	Very low	51.9	Low	68 Å²	68	88.4 Å²	88.4	32%	0.318	48%	0.477	S	S	.	.	H	α-helix	trans	-63.2	-42.5	178.7	-162.6	179.3	168.7	0	0	111.7	R312 G355 V356 E362 Q363	R312-E359 IonicContact CZ-OE1 2.65Å; R312-E359 IonicContact NE-OE1 3.94Å; R312-E359 IonicContact NH2-OE1 3.99Å; R312-E359 PolarHBondContact NH2-OE1 3.28Å; R312-E359 VanDerWaalsContact NH2-OE1 3.14Å; R312-E359 IonicContact NH2-OE2 3.41Å; G355-E359 PolarHBondContact O-N 3.23Å; V356-E359 PolarHBondContact O-N 3.5Å; E359-E362 PolarHBondContact O-N 2.83Å; E359-Q363 WeakPolarHBondContact O-CB 3.49Å; E359-Q363 WeakPolarHBondContact O-CG 3.49Å; E359-Q363 PolarHBondContact O-N 2.86Å
360	I	50.8	Low	54.1	Low	67 Å²	67	85 Å²	85	34%	0.344	45%	0.448	S	S	.	.	H	α-helix	trans	-63	-44.8	174	-69.2	170.2	0	0	0	110.8	V356 M357 E362 Q363 M364	V356-I360 HydrophobicContact CG1-CD1 3.74Å; V356-I360 HydrophobicContact CG1-CG1 4.25Å; V356-I360 WeakPolarHBondContact O-CB 3.06Å; V356-I360 VanDerWaalsContact O-CG1 3.26Å; V356-I360 WeakPolarHBondContact O-CG1 3.42Å; V356-I360 PolarHBondContact O-N 3.01Å; M357-I360 HydrophobicContact SD-CD1 4.43Å; I360-E362 VanDerWaalsContact C-N 3.35Å; I360-E362 PolarHBondContact O-N 2.84Å; I360-Q363 PolarHBondContact O-N 2.83Å; I360-M364 HydrophobicContact CG2-CE 3.93Å; I360-M364 HydrophobicContact CG2-CG 4.31Å; I360-M364 HydrophobicContact CG2-SD 4.14Å; I360-M364 WeakPolarHBondContact O-CB 3.22Å; I360-M364 VanDerWaalsContact O-CG 3.32Å; I360-M364 WeakPolarHBondContact O-CG 3.4Å; I360-M364 PolarHBondContact O-N 2.99Å
361	R	54.6	Low	55.8	Low	181 Å²	181	82 Å²	82	68%	0.683	43%	0.431	S	S	*	.	H	α-helix	trans	-64.9	-40	179.1	-171.8	-178.4	-70	160.4	-1.5	111.4	M357 K358 M364 S365	M357-R361 WeakPolarHBondContact O-CB 3.44Å; M357-R361 PolarHBondContact O-N 2.67Å; K358-R361 PolarHBondContact O-N 2.85Å; R361-M364 PolarHBondContact O-N 2.91Å; R361-S365 WeakPolarHBondContact O-CB 3.4Å; R361-S365 PolarHBondContact O-N 2.63Å
362	E	55.6	Low	58	Low	50 Å²	50	77.8 Å²	77.8	23%	0.234	42%	0.416	C	S	.	.	H	α-helix	trans	-65.6	-40.6	175.2	-73.7	-177.3	160.7	0	0	111.8	K271 K358 E359 I360 S365 L366	K271-E362 IonicContact NZ-OE1 3.37Å; K271-E362 PolarHBondContact NZ-OE1 3.31Å; K358-E362 WeakPolarHBondContact O-CB 3.22Å; K358-E362 WeakPolarHBondContact O-CG 3.4Å; K358-E362 PolarHBondContact O-N 3.49Å; E359-E362 PolarHBondContact O-N 2.83Å; I360-E362 VanDerWaalsContact C-N 3.35Å; I360-E362 PolarHBondContact O-N 2.84Å; E362-S365 PolarHBondContact O-N 2.62Å; E362-L366 WeakPolarHBondContact O-CB 3.44Å; E362-L366 PolarHBondContact O-N 3.42Å
363	Q	54.9	Low	60	Low	37 Å²	37	70.5 Å²	70.5	17%	0.173	38%	0.381	C	S	.	.	H	α-helix	trans	-63.2	-45	172	-83.8	177.6	14.2	0	0	112.6	P310 E359 I360 S365 L366 L367	P310-Q363 WeakPolarHBondContact O-CG 2.79Å; E359-Q363 WeakPolarHBondContact O-CB 3.49Å; E359-Q363 WeakPolarHBondContact O-CG 3.49Å; E359-Q363 PolarHBondContact O-N 2.86Å; I360-Q363 PolarHBondContact O-N 2.83Å; Q363-S365 VanDerWaalsContact C-N 3.33Å; Q363-S365 PolarHBondContact O-N 3.29Å; Q363-L366 PolarHBondContact O-N 2.9Å; Q363-L367 WeakPolarHBondContact O-CB 3.22Å; Q363-L367 VanDerWaalsContact O-CG 3.25Å; Q363-L367 WeakPolarHBondContact O-CG 3.34Å; Q363-L367 PolarHBondContact O-N 3.02Å
364	M	53.9	Low	61.9	Low	118 Å²	118	66.6 Å²	66.6	58%	0.581	36%	0.36	S	S	*	.	H	α-helix	trans	-63.2	-39.9	177.5	-77.1	-174.7	171.7	0	0	111.8	I360 R361 G368	I360-M364 HydrophobicContact CG2-CE 3.93Å; I360-M364 HydrophobicContact CG2-CG 4.31Å; I360-M364 HydrophobicContact CG2-SD 4.14Å; I360-M364 WeakPolarHBondContact O-CB 3.22Å; I360-M364 VanDerWaalsContact O-CG 3.32Å; I360-M364 WeakPolarHBondContact O-CG 3.4Å; I360-M364 PolarHBondContact O-N 2.99Å; R361-M364 PolarHBondContact O-N 2.91Å; M364-G368 PolarHBondContact O-N 3.38Å
365	S	68.9	Low	63.4	Low	39 Å²	39	71 Å²	71	27%	0.273	36%	0.362	S	S	.	.	H	α-helix	trans	-61.5	-49.4	174.4	174.8	0	0	0	0	110.9	R361 E362 Q363 G368 V369	R361-S365 WeakPolarHBondContact O-CB 3.4Å; R361-S365 PolarHBondContact O-N 2.63Å; E362-S365 PolarHBondContact O-N 2.62Å; Q363-S365 VanDerWaalsContact C-N 3.33Å; Q363-S365 PolarHBondContact O-N 3.29Å; S365-G368 PolarHBondContact O-N 2.98Å; S365-V369 WeakPolarHBondContact O-CG2 3.44Å; S365-V369 PolarHBondContact O-N 3.3Å
366	L	69.6	Low	64.8	Low	0 Å²	0	76.6 Å²	76.6	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-63.6	-44.2	178.7	-179.1	65.4	0	0	0	112.7	L269 W276 V309 L311 E362 Q363 G368 V369 F370	L269-L366 HydrophobicContact CD1-CD1 4.04Å; L269-L366 HydrophobicContact CD2-CD1 4.08Å; W276-L366 HydrophobicContact CB-CD1 4.27Å; W276-L366 HydrophobicContact CD2-CD1 3.87Å; W276-L366 HydrophobicContact CE3-CD1 4.14Å; W276-L366 HydrophobicContact CG-CB 4.29Å; W276-L366 HydrophobicContact CG-CD1 3.94Å; V309-L366 HydrophobicContact CG1-CD2 3.3Å; L311-L366 HydrophobicContact CD1-CD2 4.2Å; L311-L366 HydrophobicContact CD2-CD2 3.72Å; L311-L366 HydrophobicContact CD2-CG 4.48Å; L311-L366 HydrophobicContact CG-CD2 3.76Å; E362-L366 WeakPolarHBondContact O-CB 3.44Å; E362-L366 PolarHBondContact O-N 3.42Å; Q363-L366 PolarHBondContact O-N 2.9Å; L366-G368 VanDerWaalsContact C-N 3.27Å; L366-G368 PolarHBondContact O-N 3.43Å; L366-V369 WeakPolarHBondContact O-CB 3.43Å; L366-V369 PolarHBondContact O-N 3.49Å; L366-F370 HydrophobicContact CD1-CD2 4.14Å; L366-F370 HydrophobicContact CD1-CE2 3.75Å; L366-F370 HydrophobicContact CD2-CE2 4.13Å; L366-F370 HydrophobicContact CG-CD2 3.94Å; L366-F370 HydrophobicContact CG-CE2 3.72Å; L366-F370 VanDerWaalsContact O-CD2 3.3Å; L366-F370 WeakPolarHBondContact O-CD2 3.35Å; L366-F370 PolarHBondContact O-N 2.78Å
367	L	70.5	Confident	66.8	Low	79 Å²	79	76 Å²	76	41%	0.414	37%	0.369	S	S	.	.	H	α-helix	trans	-63.5	-34.6	174.6	-72.4	171.3	0	0	0	111.7	L311 Q363 V369 R371	L311-L367 HydrophobicContact CD2-CD2 4.45Å; Q363-L367 WeakPolarHBondContact O-CB 3.22Å; Q363-L367 VanDerWaalsContact O-CG 3.25Å; Q363-L367 WeakPolarHBondContact O-CG 3.34Å; Q363-L367 PolarHBondContact O-N 3.02Å; L367-V369 VanDerWaalsContact C-N 3.33Å; L367-R371 WeakPolarHBondContact O-CB 3.49Å; L367-R371 VanDerWaalsContact O-CG 3.25Å; L367-R371 WeakPolarHBondContact O-CG 3.26Å; L367-R371 PolarHBondContact O-N 3.09Å
368	G	71.5	Confident	68.9	Low	37 Å²	37	72 Å²	72	38%	0.381	35%	0.35	S	S	.	.	H	α-helix	trans	-61.8	-42.1	172.6	0	0	0	0	0	112	M364 S365 L366 R371 A372	M364-G368 PolarHBondContact O-N 3.38Å; S365-G368 PolarHBondContact O-N 2.98Å; L366-G368 VanDerWaalsContact C-N 3.27Å; L366-G368 PolarHBondContact O-N 3.43Å; G368-R371 PolarHBondContact O-N 3.43Å; G368-A372 PolarHBondContact O-N 2.94Å
369	V	76.1	Confident	70.7	Confident	30 Å²	30	68.6 Å²	68.6	18%	0.182	34%	0.336	C	S	.	.	H	α-helix	trans	-68.2	-44.4	178.3	169.4	0	0	0	0	111.6	W276 I278 S365 L366 L367 R371 A372 Y373	W276-V369 HydrophobicContact CB-CB 4.49Å; W276-V369 HydrophobicContact CB-CG2 4.04Å; W276-V369 WeakPolarHBondContact O-CG2 3.4Å; I278-V369 HydrophobicContact CB-CG1 4.42Å; I278-V369 HydrophobicContact CD1-CG1 3.4Å; I278-V369 VanDerWaalsContact CD1-CG1 3.4Å; I278-V369 HydrophobicContact CG1-CG1 3.46Å; I278-V369 VanDerWaalsContact CG1-CG1 3.46Å; S365-V369 WeakPolarHBondContact O-CG2 3.44Å; S365-V369 PolarHBondContact O-N 3.3Å; L366-V369 WeakPolarHBondContact O-CB 3.43Å; L366-V369 PolarHBondContact O-N 3.49Å; L367-V369 VanDerWaalsContact C-N 3.33Å; V369-R371 VanDerWaalsContact C-N 3.34Å; V369-R371 PolarHBondContact O-N 2.93Å; V369-A372 PolarHBondContact O-N 3.34Å; V369-Y373 PolarHBondContact O-N 3.35Å
370	F	79	Confident	72.6	Confident	9 Å²	9	65.4 Å²	65.4	4%	0.039	32%	0.321	C	S	.	.	H	α-helix	trans	-60.2	-42.1	170.4	-79.3	-63.5	0	0	0	112.3	L269 F305 L311 L366 A372 Y373 N374 L380	L269-F370 HydrophobicContact CD1-CE2 4.41Å; L269-F370 HydrophobicContact CD1-CZ 3.93Å; L269-F370 HydrophobicContact CD2-CZ 4.36Å; F305-F370 HydrophobicContact CD1-CZ 4.43Å; F305-F370 HydrophobicContact CD2-CZ 4.39Å; F305-F370 HydrophobicContact CE1-CE1 4.11Å; F305-F370 HydrophobicContact CE1-CZ 4.19Å; F305-F370 HydrophobicContact CE2-CE1 4.2Å; F305-F370 HydrophobicContact CE2-CZ 4.16Å; F305-F370 AromaticContact CZ-CE1 3.79Å; F305-F370 HydrophobicContact CZ-CE1 3.79Å; F305-F370 HydrophobicContact CZ-CZ 4.06Å; L311-F370 HydrophobicContact CD1-CE2 4.33Å; L311-F370 HydrophobicContact CD2-CE2 4.49Å; L366-F370 HydrophobicContact CD1-CD2 4.14Å; L366-F370 HydrophobicContact CD1-CE2 3.75Å; L366-F370 HydrophobicContact CD2-CE2 4.13Å; L366-F370 HydrophobicContact CG-CD2 3.94Å; L366-F370 HydrophobicContact CG-CE2 3.72Å; L366-F370 VanDerWaalsContact O-CD2 3.3Å; L366-F370 WeakPolarHBondContact O-CD2 3.35Å; L366-F370 PolarHBondContact O-N 2.78Å; F370-A372 VanDerWaalsContact C-N 3.34Å; F370-A372 PolarHBondContact O-N 3.32Å; F370-Y373 PolarHBondContact O-N 2.67Å; F370-N374 VanDerWaalsContact O-CB 3.26Å; F370-N374 WeakPolarHBondContact O-CB 3.37Å; F370-N374 PolarHBondContact O-N 2.81Å; F370-N374 PolarHBondContact O-OD1 3.4Å; F370-L380 HydrophobicContact CD1-CB 3.84Å; F370-L380 HydrophobicContact CD1-CD1 4.19Å; F370-L380 HydrophobicContact CE1-CB 3.99Å; F370-L380 HydrophobicContact CE1-CD1 4.16Å
371	R	73.8	Confident	74.3	Confident	139 Å²	139	64 Å²	64	53%	0.525	31%	0.314	S	S	.	.	H	α-helix	trans	-64	-37.5	176.6	-79.8	175.8	179.6	-177.8	0.2	112.8	L367 G368 V369 K375	L367-R371 WeakPolarHBondContact O-CB 3.49Å; L367-R371 VanDerWaalsContact O-CG 3.25Å; L367-R371 WeakPolarHBondContact O-CG 3.26Å; L367-R371 PolarHBondContact O-N 3.09Å; G368-R371 PolarHBondContact O-N 3.43Å; V369-R371 VanDerWaalsContact C-N 3.34Å; V369-R371 PolarHBondContact O-N 2.93Å; R371-K375 VanDerWaalsContact O-CG 3.27Å; R371-K375 WeakPolarHBondContact O-CG 3.39Å; R371-K375 PolarHBondContact O-N 2.82Å
372	A	77.1	Confident	75.7	Confident	56 Å²	56	57.1 Å²	57.1	46%	0.463	29%	0.293	S	S	.	.	H	α-helix	trans	-64.4	-47.6	175.2	0	0	0	0	0	110.2	G368 V369 F370 N374 K375	G368-A372 PolarHBondContact O-N 2.94Å; V369-A372 PolarHBondContact O-N 3.34Å; F370-A372 VanDerWaalsContact C-N 3.34Å; F370-A372 PolarHBondContact O-N 3.32Å; A372-N374 PolarHBondContact O-N 2.82Å; A372-K375 PolarHBondContact O-N 3.02Å
373	Y	81.1	Confident	77.1	Confident	36 Å²	36	54.9 Å²	54.9	14%	0.141	28%	0.282	C	S	.	.	H	α-helix	trans	-58.4	-50.6	176.1	-174.3	-84.1	0	0	0	112.5	V267 I278 V369 F370 K375 E376 N377 Y378 L380	V267-Y373 HydrophobicContact CG1-CE2 3.9Å; I278-Y373 HydrophobicContact CD1-CD2 4Å; I278-Y373 HydrophobicContact CD1-CG 4.01Å; I278-Y373 HydrophobicContact CG2-CD2 3.76Å; I278-Y373 HydrophobicContact CG2-CE2 3.99Å; V369-Y373 PolarHBondContact O-N 3.35Å; F370-Y373 PolarHBondContact O-N 2.67Å; Y373-K375 PolarHBondContact O-N 3.46Å; Y373-K375 VanDerWaalsContact O-N 3.14Å; Y373-E376 PolarHBondContact O-N 3.4Å; Y373-E376 VanDerWaalsContact O-N 3.09Å; Y373-N377 HydrophobicContact CD1-CB 3.99Å; Y373-N377 HydrophobicContact CE1-CB 3.56Å; Y373-N377 HydrophobicContact CE2-CB 4.44Å; Y373-N377 WeakPolarHBondContact O-CB 3.49Å; Y373-N377 PolarHBondContact O-N 3.41Å; Y373-N377 PolarHBondContact O-ND2 3.41Å; Y373-Y378 HydrophobicContact CE1-CE2 4.41Å; Y373-Y378 WeakPolarHBondContact CE1-O 3.5Å; Y373-Y378 PolarHBondContact OH-OH 3.09Å; Y373-L380 HydrophobicContact CD1-CB 4.49Å; Y373-L380 HydrophobicContact CD1-CD1 3.38Å; Y373-L380 HydrophobicContact CD1-CG 3.52Å; Y373-L380 HydrophobicContact CD2-CD1 4.29Å; Y373-L380 HydrophobicContact CE1-CD1 3.4Å; Y373-L380 VanDerWaalsContact CE1-CD1 3.4Å; Y373-L380 HydrophobicContact CE1-CD2 3.97Å; Y373-L380 HydrophobicContact CE1-CG 3.4Å; Y373-L380 HydrophobicContact CE2-CD1 4.28Å; Y373-L380 HydrophobicContact CG-CD1 3.85Å; Y373-L380 HydrophobicContact CG-CG 4.45Å
374	N	82.5	Confident	78.3	Confident	25 Å²	25	56 Å²	56	13%	0.134	29%	0.292	C	S	.	.	H	α-helix	trans	-66.7	-12.8	-177.2	-71.7	12	0	0	0	114.1	F370 A372 Q379 L380	F370-N374 VanDerWaalsContact O-CB 3.26Å; F370-N374 WeakPolarHBondContact O-CB 3.37Å; F370-N374 PolarHBondContact O-N 2.81Å; F370-N374 PolarHBondContact O-OD1 3.4Å; A372-N374 PolarHBondContact O-N 2.82Å; N374-Q379 PolarHBondContact ND2-OE1 2.8Å; N374-Q379 PolarHBondContact O-NE2 3.37Å; N374-L380 PolarHBondContact OD1-N 3.22Å
375	K	76.6	Confident	79.5	Confident	181 Å²	181	51 Å²	51	79%	0.787	27%	0.267	S	S	*	.	H	α-helix	trans	-82.5	-30.7	173.4	-82	174.4	178.7	-175.4	0	112.6	R371 A372 Y373	R371-K375 VanDerWaalsContact O-CG 3.27Å; R371-K375 WeakPolarHBondContact O-CG 3.39Å; R371-K375 PolarHBondContact O-N 2.82Å; A372-K375 PolarHBondContact O-N 3.02Å; Y373-K375 PolarHBondContact O-N 3.46Å; Y373-K375 VanDerWaalsContact O-N 3.14Å
376	E	77.6	Confident	80.1	Confident	169 Å²	169	52 Å²	52	79%	0.79	28%	0.279	S	S	*	.	H	α-helix	trans	-102.2	-19.8	-175.9	-64	-176.7	174.8	0	0	112.2	Y373	Y373-E376 PolarHBondContact O-N 3.4Å; Y373-E376 VanDerWaalsContact O-N 3.09Å
377	N	85.2	Confident	80.8	Confident	54 Å²	54	57.3 Å²	57.3	29%	0.289	30%	0.303	S	S	.	.	S	Bend	trans	-133.2	-169.7	-173.6	-55.6	-81.8	0	0	0	111.4	Y373	Y373-N377 HydrophobicContact CD1-CB 3.99Å; Y373-N377 HydrophobicContact CE1-CB 3.56Å; Y373-N377 HydrophobicContact CE2-CB 4.44Å; Y373-N377 WeakPolarHBondContact O-CB 3.49Å; Y373-N377 PolarHBondContact O-N 3.41Å; Y373-N377 PolarHBondContact O-ND2 3.41Å
378	Y	88.2	Confident	81.4	Confident	8 Å²	8	59.4 Å²	59.4	3%	0.031	32%	0.315	C	S	.	.	S	Bend	trans	-65.8	161.9	169.1	60.3	-93.2	0	0	0	112.4	P266 M293 N294 N299 W301 Y373 L380	P266-Y378 VanDerWaalsContact CB-OH 3.26Å; P266-Y378 WeakPolarHBondContact CB-OH 3.36Å; P266-Y378 HydrophobicContact CG-CE2 4.22Å; M293-Y378 HydrophobicContact CB-CD1 3.64Å; M293-Y378 HydrophobicContact CB-CD2 4.42Å; M293-Y378 HydrophobicContact CB-CE1 3.74Å; M293-Y378 HydrophobicContact CB-CE2 4.49Å; M293-Y378 HydrophobicContact CB-CG 4Å; M293-Y378 HydrophobicContact CE-CD2 3.48Å; M293-Y378 VanDerWaalsContact CE-CD2 3.48Å; M293-Y378 HydrophobicContact CE-CE2 3.93Å; M293-Y378 HydrophobicContact CE-CG 3.84Å; N294-Y378 WeakPolarHBondContact OD1-CD1 3.42Å; N294-Y378 WeakPolarHBondContact OD1-CE1 3.44Å; N299-Y378 WeakPolarHBondContact O-CB 3.46Å; W301-Y378 HydrophobicContact CB-CD2 4.03Å; W301-Y378 HydrophobicContact CB-CE2 3.67Å; W301-Y378 HydrophobicContact CD2-CE2 4.38Å; W301-Y378 AromaticContact CE3-CE2 3.85Å; W301-Y378 HydrophobicContact CE3-CE2 3.85Å; W301-Y378 AromaticContact CE3-CZ 3.99Å; W301-Y378 HydrophobicContact CG-CE2 4.36Å; Y373-Y378 HydrophobicContact CE1-CE2 4.41Å; Y373-Y378 WeakPolarHBondContact CE1-O 3.5Å; Y373-Y378 PolarHBondContact OH-OH 3.09Å; Y378-L380 HydrophobicContact CD2-CD2 4.08Å; Y378-L380 HydrophobicContact CE2-CD2 3.48Å; Y378-L380 VanDerWaalsContact CE2-CD2 3.48Å; Y378-L380 HydrophobicContact CE2-CG 4.49Å; Y378-L380 PolarHBondContact O-N 3.1Å
379	Q	88.7	Confident	82	Confident	57 Å²	57	59.1 Å²	59.1	27%	0.266	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	121.3	-175.2	-55	-59.6	-49.1	0	0	111.7	P297 N299 V300 W301 N374	P297-Q379 PolarHBondContact O-NE2 3.43Å; N299-Q379 WeakPolarHBondContact O-CB 3.47Å; N299-Q379 PolarHBondContact O-N 2.9Å; V300-Q379 CarbonylContact C-O 3.48Å; V300-Q379 WeakPolarHBondContact CA-O 3.38Å; V300-Q379 HydrophobicContact CB-CB 4.45Å; V300-Q379 HydrophobicContact CG1-CB 4.31Å; V300-Q379 HydrophobicContact CG2-CB 4.13Å; W301-Q379 PolarHBondContact N-O 3.32Å; N374-Q379 PolarHBondContact ND2-OE1 2.8Å; N374-Q379 PolarHBondContact O-NE2 3.37Å
380	L	88.6	Confident	82.4	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.01	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	117.8	168	-62.9	-178.2	0	0	0	110.4	P266 V267 W301 F370 Y373 N374 Y378	P266-L380 HydrophobicContact CG-CD2 3.39Å; V267-L380 HydrophobicContact CG1-CD1 4.2Å; V267-L380 HydrophobicContact CG2-CD1 3.61Å; W301-L380 HydrophobicContact CB-CD2 3.92Å; F370-L380 HydrophobicContact CD1-CB 3.84Å; F370-L380 HydrophobicContact CD1-CD1 4.19Å; F370-L380 HydrophobicContact CE1-CB 3.99Å; F370-L380 HydrophobicContact CE1-CD1 4.16Å; Y373-L380 HydrophobicContact CD1-CB 4.49Å; Y373-L380 HydrophobicContact CD1-CD1 3.38Å; Y373-L380 HydrophobicContact CD1-CG 3.52Å; Y373-L380 HydrophobicContact CD2-CD1 4.29Å; Y373-L380 HydrophobicContact CE1-CD1 3.4Å; Y373-L380 VanDerWaalsContact CE1-CD1 3.4Å; Y373-L380 HydrophobicContact CE1-CD2 3.97Å; Y373-L380 HydrophobicContact CE1-CG 3.4Å; Y373-L380 HydrophobicContact CE2-CD1 4.28Å; Y373-L380 HydrophobicContact CG-CD1 3.85Å; Y373-L380 HydrophobicContact CG-CG 4.45Å; N374-L380 PolarHBondContact OD1-N 3.22Å; Y378-L380 HydrophobicContact CD2-CD2 4.08Å; Y378-L380 HydrophobicContact CE2-CD2 3.48Å; Y378-L380 VanDerWaalsContact CE2-CD2 3.48Å; Y378-L380 HydrophobicContact CE2-CG 4.49Å; Y378-L380 PolarHBondContact O-N 3.1Å
381	N	85.9	Confident	82.7	Confident	37 Å²	37	63.2 Å²	63.2	20%	0.198	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	114.5	178.5	-72.5	-4.4	0	0	0	109.7	V300 W301 L302 A303 N444	V300-N381 HydrophobicContact CG1-CB 4Å; V300-N381 WeakPolarHBondContact CG1-ND2 3.49Å; W301-N381 PolarHBondContact O-N 2.77Å; L302-N381 WeakPolarHBondContact CA-O 3.27Å; L302-N381 HydrophobicContact CD2-CB 3.39Å; L302-N381 HydrophobicContact CG-CB 4.37Å; A303-N381 PolarHBondContact N-O 2.79Å; N381-N444 PolarHBondContact ND2-OD1 2.89Å
382	P	85.1	Confident	83.4	Confident	36 Å²	36	58.2 Å²	58.2	23%	0.234	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	140.1	-177.4	29.5	-34	0	0	0	112.1	A303 F305 L311	A303-P382 WeakPolarHBondContact O-CA 3.21Å; F305-P382 HydrophobicContact CD2-CB 3.69Å; F305-P382 HydrophobicContact CE2-CB 3.93Å; L311-P382 HydrophobicContact CD1-CB 3.49Å; L311-P382 VanDerWaalsContact CD1-CB 3.49Å; L311-P382 HydrophobicContact CD1-CG 3.59Å; L311-P382 HydrophobicContact CD2-CG 4.32Å
383	V	84	Confident	83.9	Confident	3 Å²	3	55.5 Å²	55.5	2%	0.018	29%	0.286	C	S	.	.			trans	-99.1	113	168.8	-178.4	0	0	0	0	108.6	L302 A303 V385 Q436 F437 N440	L302-V383 HydrophobicContact CB-CG2 4.24Å; L302-V383 HydrophobicContact CD2-CG2 4.32Å; A303-V383 PolarHBondContact O-N 3.14Å; V383-V385 HydrophobicContact CG1-CG2 4.32Å; V383-V385 PolarHBondContact O-N 3.1Å; V383-Q436 HydrophobicContact CG1-CB 4.35Å; V383-F437 HydrophobicContact CB-CD1 4.15Å; V383-F437 HydrophobicContact CB-CE1 3.92Å; V383-F437 HydrophobicContact CB-CZ 4.18Å; V383-F437 HydrophobicContact CG1-CD1 4.09Å; V383-F437 HydrophobicContact CG1-CD2 4.11Å; V383-F437 HydrophobicContact CG1-CE1 4.18Å; V383-F437 HydrophobicContact CG1-CE2 4.19Å; V383-F437 HydrophobicContact CG1-CG 4.08Å; V383-F437 HydrophobicContact CG1-CZ 4.24Å; V383-F437 HydrophobicContact CG2-CD1 3.76Å; V383-F437 HydrophobicContact CG2-CE1 3.8Å; V383-F437 HydrophobicContact CG2-CG 4.49Å; V383-N440 HydrophobicContact CG2-CB 3.97Å
384	V	80.8	Confident	84.3	Confident	62 Å²	62	57 Å²	57	38%	0.376	29%	0.292	S	S	.	.			trans	-78.8	120.7	178.8	-176.5	0	0	0	0	109.4	L311	L311-V384 HydrophobicContact CB-CG2 3.93Å; L311-V384 WeakPolarHBondContact O-CG2 3.32Å
385	V	79.2	Confident	84.5	Confident	11 Å²	11	57.9 Å²	57.9	7%	0.067	31%	0.307	C	S	.	.			trans	-119.2	133	175.7	179.8	0	0	0	0	108.1	C304 V383 D389 V433 F437	C304-V385 HydrophobicContact CB-CG2 4.34Å; V383-V385 HydrophobicContact CG1-CG2 4.32Å; V383-V385 PolarHBondContact O-N 3.1Å; V385-D389 HydrophobicContact CG1-CB 4.08Å; V385-V433 HydrophobicContact CG1-CG2 3.65Å; V385-V433 HydrophobicContact CG2-CG1 4.3Å; V385-F437 HydrophobicContact CG2-CE2 4.32Å
386	A	81.2	Confident	85.2	Confident	62 Å²	62	49.6 Å²	49.6	51%	0.512	27%	0.273	S	S	.	.			trans	-61.7	139.9	176.4	0	0	0	0	0	110.3	N388 D389 Y390	A386-N388 VanDerWaalsContact C-N 3.33Å; A386-N388 PolarHBondContact O-N 2.86Å; A386-D389 HydrophobicContact CB-CB 4.39Å; A386-D389 CarbonylContact O-C 3.52Å; A386-D389 WeakPolarHBondContact O-CA 3.43Å; A386-D389 WeakPolarHBondContact O-CB 3.46Å; A386-D389 PolarHBondContact O-N 2.9Å; A386-Y390 PolarHBondContact O-N 3.16Å
387	E	83.5	Confident	85.9	Confident	110 Å²	110	41.5 Å²	41.5	51%	0.514	24%	0.235	S	C	.	.	H	α-helix	trans	-54.3	-45.4	-174.2	-177.9	178.5	-177.3	0	0	113.5	P307 D389 Y390 N391	P307-E387 HydrophobicContact CB-CB 3.74Å; P307-E387 HydrophobicContact CB-CG 3.72Å; P307-E387 HydrophobicContact CG-CG 4.21Å; E387-D389 PolarHBondContact O-N 3.33Å; E387-Y390 WeakPolarHBondContact O-CB 3.22Å; E387-Y390 PolarHBondContact O-N 3.46Å; E387-N391 VanDerWaalsContact O-CG 3.31Å; E387-N391 PolarHBondContact O-N 2.99Å; E387-N391 PolarHBondContact O-ND2 2.9Å
388	N	82.9	Confident	86.4	Confident	124 Å²	124	39 Å²	39	66%	0.663	22%	0.221	S	C	*	.	H	α-helix	trans	-61	-44.6	176.6	-70.1	-9.5	0	0	0	111.9	A386 Y390 T392	A386-N388 VanDerWaalsContact C-N 3.33Å; A386-N388 PolarHBondContact O-N 2.86Å; N388-Y390 VanDerWaalsContact C-N 3.32Å; N388-Y390 PolarHBondContact O-N 3.18Å; N388-T392 VanDerWaalsContact O-CB 3.29Å; N388-T392 WeakPolarHBondContact O-CB 3.42Å; N388-T392 PolarHBondContact O-N 3.37Å; N388-T392 PolarHBondContact O-OG1 2.76Å
389	D	85.1	Confident	86.6	Confident	30 Å²	30	39.2 Å²	39.2	16%	0.16	22%	0.223	C	C	.	.	H	α-helix	trans	-63.5	-42.5	176.3	-81.5	-5.5	0	0	0	110	V385 A386 E387 T392 Y393 R432 V433	V385-D389 HydrophobicContact CG1-CB 4.08Å; A386-D389 HydrophobicContact CB-CB 4.39Å; A386-D389 CarbonylContact O-C 3.52Å; A386-D389 WeakPolarHBondContact O-CA 3.43Å; A386-D389 WeakPolarHBondContact O-CB 3.46Å; A386-D389 PolarHBondContact O-N 2.9Å; E387-D389 PolarHBondContact O-N 3.33Å; D389-T392 PolarHBondContact O-N 3.46Å; D389-Y393 VanDerWaalsContact O-CD1 3.23Å; D389-Y393 WeakPolarHBondContact O-CD1 3.38Å; D389-Y393 PolarHBondContact O-N 2.84Å; D389-R432 IonicContact OD1-CZ 2.76Å; D389-R432 IonicContact OD1-NE 3.42Å; D389-R432 PolarHBondContact OD1-NE 2.87Å; D389-R432 IonicContact OD1-NH2 2.73Å; D389-R432 PolarHBondContact OD1-NH2 3.49Å; D389-R432 IonicContact OD2-CZ 3.81Å; D389-R432 IonicContact OD2-NE 2.77Å; D389-R432 PolarHBondContact OD2-NE 3.21Å; D389-R432 IonicContact OD2-NH2 2.67Å; D389-V433 HydrophobicContact CB-CG2 4.13Å
390	Y	84.5	Confident	86.8	Confident	43 Å²	43	36.7 Å²	36.7	17%	0.169	21%	0.213	C	C	.	.	H	α-helix	trans	-58.3	-51.7	179.6	-176.7	-89	0	0	0	111.7	P307 A386 E387 N388 T392 Y393 Y394	P307-Y390 HydrophobicContact CG-CD1 4.05Å; P307-Y390 HydrophobicContact CG-CG 4.46Å; A386-Y390 PolarHBondContact O-N 3.16Å; E387-Y390 WeakPolarHBondContact O-CB 3.22Å; E387-Y390 PolarHBondContact O-N 3.46Å; N388-Y390 VanDerWaalsContact C-N 3.32Å; N388-Y390 PolarHBondContact O-N 3.18Å; Y390-T392 VanDerWaalsContact C-N 3.33Å; Y390-T392 PolarHBondContact O-N 3.43Å; Y390-Y393 VanDerWaalsContact CA-CD1 3.46Å; Y390-Y393 AromaticContact CD2-CE1 3.63Å; Y390-Y393 HydrophobicContact CD2-CE1 3.63Å; Y390-Y393 HydrophobicContact CE2-CE1 4.14Å; Y390-Y393 HydrophobicContact CG-CE1 4.04Å; Y390-Y393 WeakPolarHBondContact O-CD1 3.38Å; Y390-Y393 VanDerWaalsContact O-CE1 3.3Å; Y390-Y393 WeakPolarHBondContact O-CE1 3.34Å; Y390-Y394 WeakPolarHBondContact O-CB 3.32Å; Y390-Y394 PolarHBondContact O-N 3.32Å
391	N	85.7	Confident	87.2	Confident	82 Å²	82	36.6 Å²	36.6	44%	0.439	21%	0.212	S	C	.	.	H	α-helix	trans	-62.7	-43.2	-179.5	-68.5	-22.6	0	0	0	111	E387 G395	E387-N391 VanDerWaalsContact O-CG 3.31Å; E387-N391 PolarHBondContact O-N 2.99Å; E387-N391 PolarHBondContact O-ND2 2.9Å; N391-G395 WeakPolarHBondContact O-CA 3.32Å; N391-G395 PolarHBondContact O-N 3.38Å
392	T	88	Confident	87.7	Confident	34 Å²	34	34.9 Å²	34.9	21%	0.209	20%	0.203	C	C	.	.	I	π-helix	trans	-73.3	-41.8	-177.4	-60.1	0	0	0	0	113.3	N388 D389 Y390 G396 I397 H426 S429	N388-T392 VanDerWaalsContact O-CB 3.29Å; N388-T392 WeakPolarHBondContact O-CB 3.42Å; N388-T392 PolarHBondContact O-N 3.37Å; N388-T392 PolarHBondContact O-OG1 2.76Å; D389-T392 PolarHBondContact O-N 3.46Å; Y390-T392 VanDerWaalsContact C-N 3.33Å; Y390-T392 PolarHBondContact O-N 3.43Å; T392-G396 WeakPolarHBondContact O-CA 3.37Å; T392-G396 PolarHBondContact O-N 3.06Å; T392-I397 PolarHBondContact O-N 3.4Å; T392-H426 HydrophobicContact CG2-CB 3.94Å; T392-H426 WeakPolarHBondContact CG2-CD2 3.14Å; T392-H426 VanDerWaalsContact CG2-CG 3.46Å; T392-S429 WeakPolarHBondContact CG2-OG 3.4Å
393	Y	88.5	Confident	88.3	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.195	C	C	.	.	I	π-helix	trans	-76.2	-38.7	179.3	97.5	-73.7	0	0	0	112.3	N263 D389 Y390 I397 S398 Y430 V433 H457	N263-Y393 PolarHBondContact ND2-OH 2.94Å; N263-Y393 PolarHBondContact OD1-OH 3.35Å; D389-Y393 VanDerWaalsContact O-CD1 3.23Å; D389-Y393 WeakPolarHBondContact O-CD1 3.38Å; D389-Y393 PolarHBondContact O-N 2.84Å; Y390-Y393 VanDerWaalsContact CA-CD1 3.46Å; Y390-Y393 AromaticContact CD2-CE1 3.63Å; Y390-Y393 HydrophobicContact CD2-CE1 3.63Å; Y390-Y393 HydrophobicContact CE2-CE1 4.14Å; Y390-Y393 HydrophobicContact CG-CE1 4.04Å; Y390-Y393 WeakPolarHBondContact O-CD1 3.38Å; Y390-Y393 VanDerWaalsContact O-CE1 3.3Å; Y390-Y393 WeakPolarHBondContact O-CE1 3.34Å; Y393-I397 PolarHBondContact O-N 2.92Å; Y393-S398 VanDerWaalsContact O-CB 3.22Å; Y393-S398 WeakPolarHBondContact O-CB 3.39Å; Y393-S398 PolarHBondContact O-N 3.14Å; Y393-S398 PolarHBondContact O-OG 3.23Å; Y393-Y430 HydrophobicContact CD2-CD2 4.25Å; Y393-V433 HydrophobicContact CD1-CB 4.35Å; Y393-V433 HydrophobicContact CD1-CG1 4.24Å; Y393-V433 HydrophobicContact CD1-CG2 3.71Å; Y393-V433 HydrophobicContact CD2-CB 4.16Å; Y393-V433 HydrophobicContact CD2-CG1 3.89Å; Y393-V433 HydrophobicContact CD2-CG2 4.36Å; Y393-V433 HydrophobicContact CE1-CG1 4.17Å; Y393-V433 HydrophobicContact CE1-CG2 4.26Å; Y393-V433 HydrophobicContact CE2-CG1 3.81Å; Y393-V433 HydrophobicContact CG-CB 4.04Å; Y393-V433 HydrophobicContact CG-CG1 4.11Å; Y393-V433 HydrophobicContact CG-CG2 3.76Å; Y393-H457 HydrophobicContact CE2-CB 4.48Å
394	Y	89.3	Confident	88.9	Confident	67 Å²	67	34 Å²	34	26%	0.263	19%	0.194	S	C	.	.	I	π-helix	trans	-79.1	-54.9	-176.3	-177.1	-105.2	0	0	0	110.3	N263 Y390 N399 H457 R638	N263-Y394 WeakPolarHBondContact ND2-CD2 3.41Å; N263-Y394 WeakPolarHBondContact ND2-CE2 3.41Å; Y390-Y394 WeakPolarHBondContact O-CB 3.32Å; Y390-Y394 PolarHBondContact O-N 3.32Å; Y394-N399 WeakPolarHBondContact CE2-ND2 3.25Å; Y394-N399 VanDerWaalsContact O-CB 3.32Å; Y394-N399 WeakPolarHBondContact O-CB 3.31Å; Y394-N399 PolarHBondContact O-N 3.35Å; Y394-N399 PolarHBondContact O-ND2 2.98Å; Y394-H457 AromaticContact CD2-CD2 3.89Å; Y394-H457 AromaticContact CD2-NE2 3.62Å; Y394-H457 AromaticContact CE2-NE2 3.48Å; Y394-H457 WeakPolarHBondContact CE2-NE2 3.24Å; Y394-R638 PolarHBondContact OH-NH2 2.93Å
395	G	85.7	Confident	89.7	Confident	44 Å²	44	31 Å²	31	45%	0.454	18%	0.176	S	C	.	.	I	π-helix	trans	-69	-36.4	176.6	0	0	0	0	0	112.7	N391 G400	N391-G395 WeakPolarHBondContact O-CA 3.32Å; N391-G395 PolarHBondContact O-N 3.38Å; G395-G400 PolarHBondContact O-N 3.48Å
396	G	91.1	Very high	90.6	Very high	6 Å²	6	30.6 Å²	30.6	6%	0.062	17%	0.174	C	C	.	.	I	π-helix	trans	-83.7	-98.2	-179	0	0	0	0	0	113.8	T392 S398 G400 L401 Y417	T392-G396 WeakPolarHBondContact O-CA 3.37Å; T392-G396 PolarHBondContact O-N 3.06Å; G396-S398 VanDerWaalsContact C-N 3.33Å; G396-S398 PolarHBondContact O-N 3.23Å; G396-G400 CarbonylContact O-C 3.56Å; G396-G400 WeakPolarHBondContact O-CA 2.93Å; G396-G400 PolarHBondContact O-N 3.47Å; G396-L401 PolarHBondContact O-N 3Å; G396-Y417 WeakPolarHBondContact CA-OH 3.45Å; G396-Y417 PolarHBondContact O-OH 3.07Å; G396-Y417 VanDerWaalsContact O-OH 3.11Å
397	I	93.5	Very high	91.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.15	C	C	.	.	I	π-helix	trans	-59.3	-43.7	-168.5	-64.7	-61.5	0	0	0	112.1	T392 Y393 L401 L402 Y417 L423 H426 W427 Y430 I495	T392-I397 PolarHBondContact O-N 3.4Å; Y393-I397 PolarHBondContact O-N 2.92Å; I397-L401 HydrophobicContact CD1-CD2 4.2Å; I397-L401 WeakPolarHBondContact O-CB 2.94Å; I397-L401 PolarHBondContact O-N 3.15Å; I397-L402 HydrophobicContact CG2-CD1 3.86Å; I397-L402 HydrophobicContact CG2-CG 3.95Å; I397-L402 WeakPolarHBondContact O-CG 3.48Å; I397-L402 PolarHBondContact O-N 3.46Å; I397-Y417 PolarHBondContact N-OH 3.26Å; I397-L423 HydrophobicContact CD1-CD1 4.15Å; I397-H426 HydrophobicContact CD1-CB 3.86Å; I397-H426 VanDerWaalsContact CG1-C 3.46Å; I397-H426 HydrophobicContact CG1-CB 3.93Å; I397-H426 WeakPolarHBondContact CG1-O 3.42Å; I397-W427 HydrophobicContact CD1-CB 4.3Å; I397-W427 HydrophobicContact CD1-CE3 4.42Å; I397-W427 HydrophobicContact CG1-CE3 4.38Å; I397-W427 HydrophobicContact CG2-CE3 3.99Å; I397-W427 HydrophobicContact CG2-CZ3 4.09Å; I397-Y430 HydrophobicContact CB-CD2 3.85Å; I397-Y430 HydrophobicContact CB-CG 4.1Å; I397-Y430 HydrophobicContact CG2-CD1 4.38Å; I397-Y430 HydrophobicContact CG2-CD2 3.52Å; I397-Y430 HydrophobicContact CG2-CE2 4.05Å; I397-Y430 HydrophobicContact CG2-CG 3.72Å; I397-I495 HydrophobicContact CD1-CD1 4.21Å
398	S	94.8	Very high	92	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.142	C	C	.	.	I	π-helix	trans	-65.4	-62.6	-176.7	-51.8	0	0	0	0	110.6	Y393 G396 L402 W403 Y456	Y393-S398 VanDerWaalsContact O-CB 3.22Å; Y393-S398 WeakPolarHBondContact O-CB 3.39Å; Y393-S398 PolarHBondContact O-N 3.14Å; Y393-S398 PolarHBondContact O-OG 3.23Å; G396-S398 VanDerWaalsContact C-N 3.33Å; G396-S398 PolarHBondContact O-N 3.23Å; S398-L402 PolarHBondContact O-N 2.84Å; S398-W403 WeakPolarHBondContact O-CB 3.45Å; S398-W403 PolarHBondContact O-N 3.24Å; S398-Y456 VanDerWaalsContact O-CE2 3.31Å; S398-Y456 WeakPolarHBondContact O-CE2 3.24Å
399	N	92.6	Very high	92.6	Very high	14 Å²	14	20.1 Å²	20.1	8%	0.075	11%	0.112	C	C	.	.	I	π-helix	trans	-91	-22.8	-172.4	-66.6	-57.6	0	0	0	114.9	Y394 P404 Y456 R638	Y394-N399 WeakPolarHBondContact CE2-ND2 3.25Å; Y394-N399 VanDerWaalsContact O-CB 3.32Å; Y394-N399 WeakPolarHBondContact O-CB 3.31Å; Y394-N399 PolarHBondContact O-N 3.35Å; Y394-N399 PolarHBondContact O-ND2 2.98Å; N399-P404 WeakPolarHBondContact O-CD 3.34Å; N399-Y456 PolarHBondContact OD1-OH 2.74Å; N399-R638 VanDerWaalsContact CG-CZ 3.45Å; N399-R638 VanDerWaalsContact CG-NH1 3.26Å; N399-R638 VanDerWaalsContact CG-NH2 3.29Å; N399-R638 PolarHBondContact ND2-NH2 3.21Å; N399-R638 PolarHBondContact OD1-NH1 3.36Å; N399-R638 PolarHBondContact OD1-NH2 3.08Å
400	G	93.5	Very high	93.1	Very high	4 Å²	4	21.4 Å²	21.4	4%	0.041	12%	0.122	C	C	.	.	I	π-helix	trans	-92.8	-14.4	179.7	0	0	0	0	0	114.9	G395 G396 I413 V414	G395-G400 PolarHBondContact O-N 3.48Å; G396-G400 CarbonylContact O-C 3.56Å; G396-G400 WeakPolarHBondContact O-CA 2.93Å; G396-G400 PolarHBondContact O-N 3.47Å; G400-I413 WeakPolarHBondContact O-CA 3.38Å; G400-V414 PolarHBondContact O-N 3.16Å
401	L	96.3	Very high	93.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.141	C	C	.	.	I	π-helix	trans	-129.1	-62.8	177.1	179.4	62.8	0	0	0	112.5	G396 I397 P404 A405 I413 Y417 L423 F488 F492 I495	G396-L401 PolarHBondContact O-N 3Å; I397-L401 HydrophobicContact CD1-CD2 4.2Å; I397-L401 WeakPolarHBondContact O-CB 2.94Å; I397-L401 PolarHBondContact O-N 3.15Å; L401-P404 WeakPolarHBondContact O-CD 3.5Å; L401-P404 WeakPolarHBondContact O-CG 3.48Å; L401-A405 WeakPolarHBondContact O-CB 3.42Å; L401-A405 PolarHBondContact O-N 3.32Å; L401-I413 HydrophobicContact CD1-CD1 4.15Å; L401-I413 HydrophobicContact CD1-CG1 4.35Å; L401-I413 HydrophobicContact CD1-CG2 3.68Å; L401-Y417 HydrophobicContact CB-CD2 4.18Å; L401-Y417 HydrophobicContact CB-CE2 3.77Å; L401-L423 HydrophobicContact CD2-CD1 4.06Å; L401-F488 HydrophobicContact CD1-CD2 4.39Å; L401-F488 HydrophobicContact CD1-CE2 4.01Å; L401-F488 HydrophobicContact CD2-CE2 4.41Å; L401-F488 HydrophobicContact CG-CE2 4.07Å; L401-F492 HydrophobicContact CD1-CD1 4Å; L401-F492 HydrophobicContact CD1-CD2 3.86Å; L401-F492 HydrophobicContact CD1-CE1 4.01Å; L401-F492 HydrophobicContact CD1-CE2 3.86Å; L401-F492 HydrophobicContact CD1-CG 3.93Å; L401-F492 HydrophobicContact CD1-CZ 3.93Å; L401-F492 HydrophobicContact CD2-CD1 4.29Å; L401-F492 HydrophobicContact CD2-CG 4.48Å; L401-I495 HydrophobicContact CD2-CD1 3.65Å; L401-I495 HydrophobicContact CD2-CG2 4.31Å
402	L	97.5	Very high	94	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.129	C	C	.	.	I	π-helix	trans	-67	-43.5	-171.5	-64.2	178.6	0	0	0	112.6	I397 S398 A405 F406 Y430 Y456 L459 F488 I495 V499	I397-L402 HydrophobicContact CG2-CD1 3.86Å; I397-L402 HydrophobicContact CG2-CG 3.95Å; I397-L402 WeakPolarHBondContact O-CG 3.48Å; I397-L402 PolarHBondContact O-N 3.46Å; S398-L402 PolarHBondContact O-N 2.84Å; L402-A405 PolarHBondContact O-N 3.5Å; L402-F406 HydrophobicContact CD2-CE1 4.14Å; L402-F406 HydrophobicContact CD2-CZ 4.15Å; L402-F406 VanDerWaalsContact O-CB 3.23Å; L402-F406 WeakPolarHBondContact O-CB 3.46Å; L402-F406 VanDerWaalsContact O-CG 3.22Å; L402-F406 WeakPolarHBondContact O-CG 3.32Å; L402-F406 PolarHBondContact O-N 3.45Å; L402-Y430 HydrophobicContact CD1-CE2 3.8Å; L402-Y456 HydrophobicContact CB-CD2 3.99Å; L402-Y456 HydrophobicContact CD1-CD2 4.46Å; L402-L459 HydrophobicContact CD1-CD1 3.99Å; L402-F488 HydrophobicContact CD2-CZ 3.99Å; L402-I495 HydrophobicContact CD2-CG2 4.37Å; L402-V499 HydrophobicContact CD2-CG2 4.25Å
403	W	96.4	Very high	94.3	Very high	21 Å²	21	22.8 Å²	22.8	8%	0.08	12%	0.124	C	C	.	.	H	α-helix	trans	-57.2	-58.9	177.7	-179.8	-91.2	0	0	0	112.6	S398 A405 F406 H407 Y456 T480 Y603 T604	S398-W403 WeakPolarHBondContact O-CB 3.45Å; S398-W403 PolarHBondContact O-N 3.24Å; W403-A405 PolarHBondContact O-N 3.28Å; W403-F406 PolarHBondContact O-N 3.05Å; W403-H407 AromaticContact CD2-CE1 3.61Å; W403-H407 AromaticContact CD2-ND1 3.96Å; W403-H407 AromaticContact CE2-CE1 3.6Å; W403-H407 AromaticContact CE3-CE1 3.67Å; W403-H407 AromaticContact CH2-CE1 3.75Å; W403-H407 AromaticContact CH2-NE2 4Å; W403-H407 AromaticContact CZ2-CE1 3.69Å; W403-H407 AromaticContact CZ2-NE2 3.88Å; W403-H407 AromaticContact CZ3-CE1 3.75Å; W403-H407 PolarHBondContact O-N 2.97Å; W403-H407 PolarHBondContact O-ND1 3Å; W403-Y456 HydrophobicContact CB-CE2 4.33Å; W403-Y456 AromaticContact CE3-CE1 3.66Å; W403-Y456 HydrophobicContact CE3-CE1 3.66Å; W403-Y456 HydrophobicContact CE3-CE2 4.46Å; W403-Y456 AromaticContact CE3-CZ 3.62Å; W403-Y456 AromaticContact CZ3-CE1 3.95Å; W403-Y456 HydrophobicContact CZ3-CE1 3.95Å; W403-T480 HydrophobicContact CE3-CG2 4.02Å; W403-T480 HydrophobicContact CH2-CG2 4.5Å; W403-T480 HydrophobicContact CZ3-CG2 3.57Å; W403-Y603 AromaticContact CD1-CZ 3.92Å; W403-T604 HydrophobicContact CZ2-CG2 4.13Å
404	P	96.7	Very high	94.5	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62.6	-39.7	177.4	21.6	-31.4	0	0	0	112.7	N399 L401 H407 N408 L409 I413	N399-P404 WeakPolarHBondContact O-CD 3.34Å; L401-P404 WeakPolarHBondContact O-CD 3.5Å; L401-P404 WeakPolarHBondContact O-CG 3.48Å; P404-H407 PolarHBondContact O-N 3.24Å; P404-N408 PolarHBondContact O-N 2.82Å; P404-L409 WeakPolarHBondContact CB-O 3.08Å; P404-L409 PolarHBondContact O-N 3.39Å; P404-I413 HydrophobicContact CB-CG1 4.02Å; P404-I413 HydrophobicContact CG-CB 4.49Å; P404-I413 HydrophobicContact CG-CG1 3.81Å
405	A	97.5	Very high	94.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59.6	-52.2	177.1	0	0	0	0	0	111.4	L401 L402 W403 H407 N408 I413 P484 P485 F488	L401-A405 WeakPolarHBondContact O-CB 3.42Å; L401-A405 PolarHBondContact O-N 3.32Å; L402-A405 PolarHBondContact O-N 3.5Å; W403-A405 PolarHBondContact O-N 3.28Å; A405-H407 PolarHBondContact O-N 3.04Å; A405-N408 PolarHBondContact O-N 3.25Å; A405-I413 HydrophobicContact CB-CD1 4.34Å; A405-P484 VanDerWaalsContact O-CA 3.27Å; A405-P484 WeakPolarHBondContact O-CA 3.36Å; A405-P485 WeakPolarHBondContact O-CD 2.98Å; A405-F488 HydrophobicContact CB-CD2 3.66Å; A405-F488 HydrophobicContact CB-CE2 3.87Å; A405-F488 HydrophobicContact CB-CG 4.17Å
406	F	98.1	Very high	94.9	Very high	1 Å²	1	33.3 Å²	33.3	0%	0.004	17%	0.168	C	C	.	.	H	α-helix	trans	-64.1	-25.4	-177.6	-73.4	4.9	0	0	0	113.2	L402 W403 N408 L459 L478 P481 F482 Q483 V499	L402-F406 HydrophobicContact CD2-CE1 4.14Å; L402-F406 HydrophobicContact CD2-CZ 4.15Å; L402-F406 VanDerWaalsContact O-CB 3.23Å; L402-F406 WeakPolarHBondContact O-CB 3.46Å; L402-F406 VanDerWaalsContact O-CG 3.22Å; L402-F406 WeakPolarHBondContact O-CG 3.32Å; L402-F406 PolarHBondContact O-N 3.45Å; W403-F406 PolarHBondContact O-N 3.05Å; F406-N408 VanDerWaalsContact C-N 3.31Å; F406-L459 HydrophobicContact CE2-CD1 3.97Å; F406-L459 HydrophobicContact CZ-CD1 3.81Å; F406-L478 HydrophobicContact CE2-CD1 4.48Å; F406-P481 WeakPolarHBondContact CB-O 3.45Å; F406-F482 HydrophobicContact CD1-CD2 4.31Å; F406-F482 HydrophobicContact CD1-CE2 4.35Å; F406-F482 HydrophobicContact CD2-CD2 4.31Å; F406-F482 HydrophobicContact CE1-CD2 4.09Å; F406-F482 AromaticContact CE1-CE2 3.73Å; F406-F482 HydrophobicContact CE1-CE2 3.73Å; F406-F482 HydrophobicContact CE2-CD2 4.07Å; F406-F482 HydrophobicContact CE2-CE2 4.19Å; F406-F482 HydrophobicContact CG-CD2 4.43Å; F406-F482 AromaticContact CZ-CD2 3.97Å; F406-F482 HydrophobicContact CZ-CD2 3.97Å; F406-F482 AromaticContact CZ-CE2 3.65Å; F406-F482 HydrophobicContact CZ-CE2 3.65Å; F406-Q483 CarbonylContact O-C 3.56Å; F406-Q483 WeakPolarHBondContact O-CA 3.39Å; F406-Q483 WeakPolarHBondContact O-CB 3.42Å; F406-Q483 PolarHBondContact O-N 3.35Å; F406-V499 HydrophobicContact CZ-CG1 4.18Å
407	H	97.5	Very high	95	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.009	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	2.9	174.3	-69.5	79.7	0	0	0	113.7	W403 P404 A405 L409 P481 T604 K701	W403-H407 AromaticContact CD2-CE1 3.61Å; W403-H407 AromaticContact CD2-ND1 3.96Å; W403-H407 AromaticContact CE2-CE1 3.6Å; W403-H407 AromaticContact CE3-CE1 3.67Å; W403-H407 AromaticContact CH2-CE1 3.75Å; W403-H407 AromaticContact CH2-NE2 4Å; W403-H407 AromaticContact CZ2-CE1 3.69Å; W403-H407 AromaticContact CZ2-NE2 3.88Å; W403-H407 AromaticContact CZ3-CE1 3.75Å; W403-H407 PolarHBondContact O-N 2.97Å; W403-H407 PolarHBondContact O-ND1 3Å; P404-H407 PolarHBondContact O-N 3.24Å; A405-H407 PolarHBondContact O-N 3.04Å; H407-L409 HydrophobicContact CB-CD1 4.11Å; H407-L409 HydrophobicContact CB-CG 4.32Å; H407-P481 WeakPolarHBondContact NE2-CD 3.33Å; H407-T604 HydrophobicContact CB-CG2 3.91Å; H407-T604 WeakPolarHBondContact CD2-CG2 3.19Å; H407-K701 PolarHBondContact CD2-O 2.91Å; H407-K701 WeakPolarHBondContact O-CD 3.45Å
408	N	96.4	Very high	94.9	Very high	65 Å²	65	37.7 Å²	37.7	35%	0.348	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	43.9	-175.8	-162.1	40.3	0	0	0	113.7	P404 A405 F406 P410 Q483 P485 K701	P404-N408 PolarHBondContact O-N 2.82Å; A405-N408 PolarHBondContact O-N 3.25Å; F406-N408 VanDerWaalsContact C-N 3.31Å; N408-P410 VanDerWaalsContact C-CD 3.44Å; N408-Q483 WeakPolarHBondContact CA-O 3.44Å; N408-Q483 HydrophobicContact CB-CB 4.34Å; N408-Q483 VanDerWaalsContact CB-O 3.23Å; N408-Q483 WeakPolarHBondContact CB-O 3.09Å; N408-Q483 PolarHBondContact N-O 3.47Å; N408-P485 WeakPolarHBondContact OD1-CB 3.35Å; N408-K701 HydrophobicContact CB-CD 3.9Å; N408-K701 VanDerWaalsContact CB-NZ 3.28Å; N408-K701 PolarHBondContact ND2-NZ 3.47Å
409	L	96.2	Very high	94.8	Very high	9 Å²	9	41.7 Å²	41.7	5%	0.047	22%	0.223	C	C	.	.			trans	-127	62.6	-175.5	-72	178.5	0	0	0	110.8	P404 H407 E411 Y412 Y603 T604 I700	P404-L409 WeakPolarHBondContact CB-O 3.08Å; P404-L409 PolarHBondContact O-N 3.39Å; H407-L409 HydrophobicContact CB-CD1 4.11Å; H407-L409 HydrophobicContact CB-CG 4.32Å; L409-E411 WeakPolarHBondContact CA-OE2 3.34Å; L409-E411 WeakPolarHBondContact CD2-OE1 3.28Å; L409-E411 PolarHBondContact O-N 3.49Å; L409-Y412 HydrophobicContact CB-CD2 3.94Å; L409-Y412 HydrophobicContact CD1-CD2 4.39Å; L409-Y412 HydrophobicContact CD2-CD2 4.46Å; L409-Y412 PolarHBondContact O-N 2.94Å; L409-Y603 HydrophobicContact CD1-CD2 3.73Å; L409-Y603 HydrophobicContact CD1-CE2 4.07Å; L409-T604 HydrophobicContact CD1-CG2 4Å; L409-I700 HydrophobicContact CD1-CD1 4.23Å; L409-I700 HydrophobicContact CD2-CD1 4.05Å; L409-I700 HydrophobicContact CD2-CG2 4.26Å
410	P	94.9	Very high	94.7	Very high	57 Å²	57	45.7 Å²	45.7	37%	0.37	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-59.7	-26.8	-175	25.7	-35	0	0	0	113.8	N408 Y412 I413 P485	N408-P410 VanDerWaalsContact C-CD 3.44Å; P410-Y412 PolarHBondContact O-N 3.49Å; P410-I413 HydrophobicContact CB-CD1 4.21Å; P410-I413 WeakPolarHBondContact O-CB 3.15Å; P410-I413 PolarHBondContact O-N 3.2Å; P410-P485 HydrophobicContact CB-CG 4.26Å; P410-P485 HydrophobicContact CG-CG 4.39Å
411	E	94.2	Very high	94.6	Very high	122 Å²	122	52.1 Å²	52.1	57%	0.57	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-64.7	-17.1	176.5	70.3	-83.4	-156.7	0	0	113.8	L409	L409-E411 WeakPolarHBondContact CA-OE2 3.34Å; L409-E411 WeakPolarHBondContact CD2-OE1 3.28Å; L409-E411 PolarHBondContact O-N 3.49Å
412	Y	94.8	Very high	94.4	Very high	46 Å²	46	54.6 Å²	54.6	18%	0.18	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-98.9	-0.1	175	-68.7	-85.3	0	0	0	113.4	L409 P410 Y603	L409-Y412 HydrophobicContact CB-CD2 3.94Å; L409-Y412 HydrophobicContact CD1-CD2 4.39Å; L409-Y412 HydrophobicContact CD2-CD2 4.46Å; L409-Y412 PolarHBondContact O-N 2.94Å; P410-Y412 PolarHBondContact O-N 3.49Å; Y412-Y603 AromaticContact CD1-CD1 3.39Å; Y412-Y603 HydrophobicContact CD1-CD1 3.39Å; Y412-Y603 AromaticContact CD1-CD2 3.95Å; Y412-Y603 HydrophobicContact CD1-CD2 3.95Å; Y412-Y603 AromaticContact CD1-CE1 3.61Å; Y412-Y603 HydrophobicContact CD1-CE1 3.61Å; Y412-Y603 HydrophobicContact CD1-CE2 4.18Å; Y412-Y603 AromaticContact CD1-CG 3.55Å; Y412-Y603 HydrophobicContact CD1-CG 3.55Å; Y412-Y603 AromaticContact CD2-CD2 3.96Å; Y412-Y603 HydrophobicContact CD2-CD2 3.96Å; Y412-Y603 HydrophobicContact CD2-CE2 4.28Å; Y412-Y603 HydrophobicContact CD2-CG 4.25Å; Y412-Y603 AromaticContact CE1-CD1 3.6Å; Y412-Y603 HydrophobicContact CE1-CD1 3.6Å; Y412-Y603 HydrophobicContact CE1-CD2 4.22Å; Y412-Y603 HydrophobicContact CE1-CE1 4.29Å; Y412-Y603 AromaticContact CE1-CG 3.53Å; Y412-Y603 HydrophobicContact CE1-CG 3.53Å; Y412-Y603 HydrophobicContact CE2-CD2 4.21Å; Y412-Y603 HydrophobicContact CE2-CG 4.22Å; Y412-Y603 HydrophobicContact CG-CD1 4.06Å; Y412-Y603 AromaticContact CG-CD2 3.81Å; Y412-Y603 HydrophobicContact CG-CD2 3.81Å; Y412-Y603 HydrophobicContact CG-CE1 4.06Å; Y412-Y603 AromaticContact CG-CE2 3.85Å; Y412-Y603 HydrophobicContact CG-CE2 3.85Å; Y412-Y603 AromaticContact CG-CG 3.92Å; Y412-Y603 HydrophobicContact CG-CG 3.92Å; Y412-Y603 AromaticContact CG-CZ 3.96Å; Y412-Y603 AromaticContact CZ-CG 3.87Å
413	I	94.7	Very high	94.2	Very high	21 Å²	21	55.9 Å²	55.9	11%	0.108	30%	0.296	C	S	.	.	S	Bend	trans	-66.8	136.6	169.7	-64.9	171.9	0	0	0	108.8	G400 L401 P404 A405 P410 K415 Y417 F492	G400-I413 WeakPolarHBondContact O-CA 3.38Å; L401-I413 HydrophobicContact CD1-CD1 4.15Å; L401-I413 HydrophobicContact CD1-CG1 4.35Å; L401-I413 HydrophobicContact CD1-CG2 3.68Å; P404-I413 HydrophobicContact CB-CG1 4.02Å; P404-I413 HydrophobicContact CG-CB 4.49Å; P404-I413 HydrophobicContact CG-CG1 3.81Å; A405-I413 HydrophobicContact CB-CD1 4.34Å; P410-I413 HydrophobicContact CB-CD1 4.21Å; P410-I413 WeakPolarHBondContact O-CB 3.15Å; P410-I413 PolarHBondContact O-N 3.2Å; I413-K415 PolarHBondContact O-N 2.89Å; I413-Y417 HydrophobicContact CG2-CD2 4.29Å; I413-F492 HydrophobicContact CD1-CE2 4.07Å; I413-F492 HydrophobicContact CG2-CE2 4.3Å; I413-F492 HydrophobicContact CG2-CZ 3.97Å
414	V	92.4	Very high	94	Very high	45 Å²	45	58.3 Å²	58.3	27%	0.273	31%	0.309	S	S	.	.			trans	-59.2	120.5	179.5	171.7	0	0	0	0	110.1	G400 D416 Y417	G400-V414 PolarHBondContact O-N 3.16Å; V414-D416 HydrophobicContact CG1-CB 3.88Å; V414-D416 PolarHBondContact O-N 3.39Å; V414-Y417 HydrophobicContact CB-CD2 3.9Å; V414-Y417 HydrophobicContact CB-CE2 3.84Å; V414-Y417 HydrophobicContact CG1-CD2 4.48Å; V414-Y417 HydrophobicContact CG1-CE2 4.46Å; V414-Y417 HydrophobicContact CG2-CE2 4.46Å; V414-Y417 PolarHBondContact O-N 3.23Å
415	K	91.9	Very high	93.7	Very high	179 Å²	179	61.9 Å²	61.9	78%	0.778	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-63.2	-26.3	-176.5	-64.9	176.4	-178	169.5	0	113.2	I413 Y417 A418	I413-K415 PolarHBondContact O-N 2.89Å; K415-Y417 PolarHBondContact O-N 3.27Å; K415-Y417 VanDerWaalsContact O-N 3.15Å; K415-A418 WeakPolarHBondContact O-CB 3.41Å; K415-A418 PolarHBondContact O-N 3.29Å; K415-A418 VanDerWaalsContact O-N 3.08Å
416	D	92.2	Very high	93.5	Very high	108 Å²	108	63.7 Å²	63.7	58%	0.578	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-64	-18.2	179.4	-54.1	-22.2	0	0	0	112.6	V414 A418 D419 L422	V414-D416 HydrophobicContact CG1-CB 3.88Å; V414-D416 PolarHBondContact O-N 3.39Å; D416-A418 PolarHBondContact O-N 2.66Å; D416-A418 VanDerWaalsContact O-N 3.16Å; D416-D419 WeakPolarHBondContact O-CB 3.16Å; D416-D419 PolarHBondContact O-N 3.16Å; D416-L422 HydrophobicContact CB-CD2 3.47Å; D416-L422 VanDerWaalsContact CB-CD2 3.47Å
417	Y	93.6	Very high	93.3	Very high	8 Å²	8	65.3 Å²	65.3	3%	0.031	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-71.2	-0.8	173.2	-65	-38.4	0	0	0	114.7	G396 I397 L401 I413 V414 K415 D419 L423 H426	G396-Y417 WeakPolarHBondContact CA-OH 3.45Å; G396-Y417 PolarHBondContact O-OH 3.07Å; G396-Y417 VanDerWaalsContact O-OH 3.11Å; I397-Y417 PolarHBondContact N-OH 3.26Å; L401-Y417 HydrophobicContact CB-CD2 4.18Å; L401-Y417 HydrophobicContact CB-CE2 3.77Å; I413-Y417 HydrophobicContact CG2-CD2 4.29Å; V414-Y417 HydrophobicContact CB-CD2 3.9Å; V414-Y417 HydrophobicContact CB-CE2 3.84Å; V414-Y417 HydrophobicContact CG1-CD2 4.48Å; V414-Y417 HydrophobicContact CG1-CE2 4.46Å; V414-Y417 HydrophobicContact CG2-CE2 4.46Å; V414-Y417 PolarHBondContact O-N 3.23Å; K415-Y417 PolarHBondContact O-N 3.27Å; K415-Y417 VanDerWaalsContact O-N 3.15Å; Y417-D419 PolarHBondContact O-N 2.9Å; Y417-L423 HydrophobicContact CD1-CB 3.97Å; Y417-L423 HydrophobicContact CD1-CD1 3.66Å; Y417-L423 HydrophobicContact CD1-CG 4.45Å; Y417-L423 HydrophobicContact CD2-CD1 4.35Å; Y417-L423 HydrophobicContact CE1-CD1 4.15Å; Y417-L423 HydrophobicContact CG-CD1 3.78Å; Y417-H426 HydrophobicContact CE1-CB 4.01Å; Y417-H426 AromaticContact CE1-CG 3.88Å; Y417-H426 AromaticContact CE1-ND1 3.43Å; Y417-H426 WeakPolarHBondContact CE1-ND1 3.24Å; Y417-H426 AromaticContact CZ-ND1 3.69Å; Y417-H426 PolarHBondContact OH-ND1 3.43Å
418	A	90.1	Very high	92.9	Very high	90 Å²	90	70.1 Å²	70.1	74%	0.744	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-63.8	-21.7	160.4	0	0	0	0	0	112.4	K415 D416 P420	K415-A418 WeakPolarHBondContact O-CB 3.41Å; K415-A418 PolarHBondContact O-N 3.29Å; K415-A418 VanDerWaalsContact O-N 3.08Å; D416-A418 PolarHBondContact O-N 2.66Å; D416-A418 VanDerWaalsContact O-N 3.16Å; A418-P420 VanDerWaalsContact O-CD 3.29Å; A418-P420 WeakPolarHBondContact O-CD 3.04Å
419	D	93.7	Very high	92.4	Very high	83 Å²	83	67.3 Å²	67.3	44%	0.444	35%	0.346	S	S	.	.	S	Bend	trans	-82.1	110.3	167.2	178.6	5.5	0	0	0	110.1	D416 Y417 K421 L422 L423	D416-D419 WeakPolarHBondContact O-CB 3.16Å; D416-D419 PolarHBondContact O-N 3.16Å; Y417-D419 PolarHBondContact O-N 2.9Å; D419-K421 PolarHBondContact O-N 2.99Å; D419-K421 WeakPolarHBondContact OD1-CB 3.2Å; D419-K421 PolarHBondContact OD1-N 2.67Å; D419-L422 HydrophobicContact CB-CB 4.08Å; D419-L422 PolarHBondContact O-N 3.03Å; D419-L423 PolarHBondContact O-N 3.39Å; D419-L423 VanDerWaalsContact O-N 3.1Å
420	P	90.1	Very high	92.1	Very high	98 Å²	98	66.9 Å²	66.9	64%	0.636	34%	0.344	S	S	*	.	H	α-helix	trans	-60.8	-30.1	-179.2	-22.4	34.8	0	0	0	113.2	A418 Q424	A418-P420 VanDerWaalsContact O-CD 3.29Å; A418-P420 WeakPolarHBondContact O-CD 3.04Å; P420-Q424 VanDerWaalsContact O-CB 3.25Å; P420-Q424 WeakPolarHBondContact O-CB 3.29Å; P420-Q424 PolarHBondContact O-N 3.19Å
421	K	91.2	Very high	91.8	Very high	140 Å²	140	66.6 Å²	66.6	61%	0.609	34%	0.341	S	S	*	.	H	α-helix	trans	-70.5	-46.9	-178.9	-174.8	-179.3	177.9	-176.8	0	110.9	D419 L423 Q424 D425	D419-K421 PolarHBondContact O-N 2.99Å; D419-K421 WeakPolarHBondContact OD1-CB 3.2Å; D419-K421 PolarHBondContact OD1-N 2.67Å; K421-L423 VanDerWaalsContact C-N 3.35Å; K421-L423 PolarHBondContact O-N 3.21Å; K421-Q424 PolarHBondContact O-N 3.38Å; K421-D425 PolarHBondContact O-N 2.95Å
422	L	92.9	Very high	91.5	Very high	52 Å²	52	65.8 Å²	65.8	27%	0.272	33%	0.333	S	S	.	.	H	α-helix	trans	-61.4	-45	176	-176.2	68.8	0	0	0	111.4	D416 D419 Q424 D425 H426	D416-L422 HydrophobicContact CB-CD2 3.47Å; D416-L422 VanDerWaalsContact CB-CD2 3.47Å; D419-L422 HydrophobicContact CB-CB 4.08Å; D419-L422 PolarHBondContact O-N 3.03Å; L422-Q424 VanDerWaalsContact C-N 3.29Å; L422-Q424 PolarHBondContact O-N 2.93Å; L422-D425 PolarHBondContact O-N 2.81Å; L422-H426 WeakPolarHBondContact CD1-NE2 3.43Å; L422-H426 WeakPolarHBondContact O-CB 3.39Å; L422-H426 PolarHBondContact O-CD2 2.83Å; L422-H426 VanDerWaalsContact O-CD2 3.31Å; L422-H426 PolarHBondContact O-N 2.79Å
423	L	93.2	Very high	91.1	Very high	26 Å²	26	63.6 Å²	63.6	14%	0.136	32%	0.324	C	S	.	.	H	α-helix	trans	-56.9	-44.6	175.7	178	63.5	0	0	0	111.5	I397 L401 Y417 D419 K421 H426 W427 F492 I495	I397-L423 HydrophobicContact CD1-CD1 4.15Å; L401-L423 HydrophobicContact CD2-CD1 4.06Å; Y417-L423 HydrophobicContact CD1-CB 3.97Å; Y417-L423 HydrophobicContact CD1-CD1 3.66Å; Y417-L423 HydrophobicContact CD1-CG 4.45Å; Y417-L423 HydrophobicContact CD2-CD1 4.35Å; Y417-L423 HydrophobicContact CE1-CD1 4.15Å; Y417-L423 HydrophobicContact CG-CD1 3.78Å; D419-L423 PolarHBondContact O-N 3.39Å; D419-L423 VanDerWaalsContact O-N 3.1Å; K421-L423 VanDerWaalsContact C-N 3.35Å; K421-L423 PolarHBondContact O-N 3.21Å; L423-H426 PolarHBondContact O-N 2.82Å; L423-W427 VanDerWaalsContact O-CB 3.31Å; L423-W427 WeakPolarHBondContact O-CB 3.48Å; L423-W427 PolarHBondContact O-N 3.3Å; L423-F492 HydrophobicContact CD1-CD1 4.3Å; L423-F492 HydrophobicContact CD1-CE1 4.5Å; L423-F492 HydrophobicContact CD2-CD1 3.77Å; L423-F492 HydrophobicContact CD2-CE1 4.14Å; L423-I495 HydrophobicContact CD1-CD1 3.55Å; L423-I495 HydrophobicContact CD2-CD1 4.33Å; L423-I495 HydrophobicContact CG-CD1 4.02Å
424	Q	91.5	Very high	90.9	Very high	73 Å²	73	62.6 Å²	62.6	34%	0.341	32%	0.319	S	S	.	.	H	α-helix	trans	-63.9	-47.7	178.6	-176.5	-176.7	53.7	0	0	112.1	P420 K421 L422 H426 W427 Y428	P420-Q424 VanDerWaalsContact O-CB 3.25Å; P420-Q424 WeakPolarHBondContact O-CB 3.29Å; P420-Q424 PolarHBondContact O-N 3.19Å; K421-Q424 PolarHBondContact O-N 3.38Å; L422-Q424 VanDerWaalsContact C-N 3.29Å; L422-Q424 PolarHBondContact O-N 2.93Å; Q424-H426 VanDerWaalsContact C-N 3.28Å; Q424-H426 PolarHBondContact O-N 3.26Å; Q424-W427 WeakPolarHBondContact O-CB 3.15Å; Q424-W427 PolarHBondContact O-N 3.47Å; Q424-Y428 HydrophobicContact CG-CD2 4.14Å; Q424-Y428 HydrophobicContact CG-CE1 3.94Å; Q424-Y428 HydrophobicContact CG-CE2 3.49Å; Q424-Y428 VanDerWaalsContact CG-CE2 3.49Å; Q424-Y428 PolarHBondContact NE2-OH 3.06Å; Q424-Y428 VanDerWaalsContact O-CG 3.28Å; Q424-Y428 PolarHBondContact O-N 2.61Å
425	D	90.1	Very high	90.6	Very high	74 Å²	74	66 Å²	66	40%	0.396	33%	0.328	S	S	.	.	H	α-helix	trans	-60.2	-40.3	177.9	-75.9	-22.6	0	0	0	111.7	K421 L422 Y428 S429	K421-D425 PolarHBondContact O-N 2.95Å; L422-D425 PolarHBondContact O-N 2.81Å; D425-Y428 PolarHBondContact O-N 2.9Å; D425-S429 PolarHBondContact O-N 3.33Å; D425-S429 VanDerWaalsContact O-N 3.16Å; D425-S429 PolarHBondContact O-OG 2.83Å
426	H	93.9	Very high	90.2	Very high	39 Å²	39	61.2 Å²	61.2	18%	0.181	31%	0.308	C	S	.	.	H	α-helix	trans	-67.2	-42.9	175.9	-78.9	-146	0	0	0	111.8	T392 I397 Y417 L422 L423 Q424 Y428 S429 Y430	T392-H426 HydrophobicContact CG2-CB 3.94Å; T392-H426 WeakPolarHBondContact CG2-CD2 3.14Å; T392-H426 VanDerWaalsContact CG2-CG 3.46Å; I397-H426 HydrophobicContact CD1-CB 3.86Å; I397-H426 VanDerWaalsContact CG1-C 3.46Å; I397-H426 HydrophobicContact CG1-CB 3.93Å; I397-H426 WeakPolarHBondContact CG1-O 3.42Å; Y417-H426 HydrophobicContact CE1-CB 4.01Å; Y417-H426 AromaticContact CE1-CG 3.88Å; Y417-H426 AromaticContact CE1-ND1 3.43Å; Y417-H426 WeakPolarHBondContact CE1-ND1 3.24Å; Y417-H426 AromaticContact CZ-ND1 3.69Å; Y417-H426 PolarHBondContact OH-ND1 3.43Å; L422-H426 WeakPolarHBondContact CD1-NE2 3.43Å; L422-H426 WeakPolarHBondContact O-CB 3.39Å; L422-H426 PolarHBondContact O-CD2 2.83Å; L422-H426 VanDerWaalsContact O-CD2 3.31Å; L422-H426 PolarHBondContact O-N 2.79Å; L423-H426 PolarHBondContact O-N 2.82Å; Q424-H426 VanDerWaalsContact C-N 3.28Å; Q424-H426 PolarHBondContact O-N 3.26Å; H426-Y428 PolarHBondContact O-N 3.27Å; H426-S429 WeakPolarHBondContact O-CB 3.32Å; H426-S429 PolarHBondContact O-N 2.91Å; H426-Y430 PolarHBondContact O-N 3.27Å
427	W	93.3	Very high	90	Very high	35 Å²	35	56 Å²	56	13%	0.133	28%	0.281	C	S	.	.	H	α-helix	trans	-60.8	-42.8	175.1	-179.8	-117.1	0	0	0	112.3	I397 L423 Q424 S429 Y430 V431 L460 I495 A498 V499	I397-W427 HydrophobicContact CD1-CB 4.3Å; I397-W427 HydrophobicContact CD1-CE3 4.42Å; I397-W427 HydrophobicContact CG1-CE3 4.38Å; I397-W427 HydrophobicContact CG2-CE3 3.99Å; I397-W427 HydrophobicContact CG2-CZ3 4.09Å; L423-W427 VanDerWaalsContact O-CB 3.31Å; L423-W427 WeakPolarHBondContact O-CB 3.48Å; L423-W427 PolarHBondContact O-N 3.3Å; Q424-W427 WeakPolarHBondContact O-CB 3.15Å; Q424-W427 PolarHBondContact O-N 3.47Å; W427-S429 VanDerWaalsContact C-N 3.27Å; W427-S429 PolarHBondContact O-N 3.03Å; W427-Y430 AromaticContact CE3-CD1 3.96Å; W427-Y430 HydrophobicContact CE3-CD1 3.96Å; W427-Y430 HydrophobicContact CE3-CG 4.3Å; W427-Y430 AromaticContact CH2-CD1 3.96Å; W427-Y430 HydrophobicContact CH2-CD1 3.96Å; W427-Y430 HydrophobicContact CH2-CE1 4.14Å; W427-Y430 AromaticContact CZ3-CD1 3.44Å; W427-Y430 HydrophobicContact CZ3-CD1 3.44Å; W427-Y430 VanDerWaalsContact CZ3-CD1 3.44Å; W427-Y430 AromaticContact CZ3-CE1 3.83Å; W427-Y430 HydrophobicContact CZ3-CE1 3.83Å; W427-Y430 HydrophobicContact CZ3-CG 4.12Å; W427-Y430 WeakPolarHBondContact O-CA 3.22Å; W427-Y430 WeakPolarHBondContact O-CB 3.32Å; W427-Y430 PolarHBondContact O-N 3.25Å; W427-Y430 VanDerWaalsContact O-N 3.09Å; W427-V431 HydrophobicContact CD2-CG2 4.26Å; W427-V431 HydrophobicContact CZ2-CG2 4.1Å; W427-V431 WeakPolarHBondContact O-CG2 3.47Å; W427-V431 PolarHBondContact O-N 3.1Å; W427-L460 HydrophobicContact CH2-CD1 3.77Å; W427-L460 HydrophobicContact CH2-CD2 4.37Å; W427-L460 HydrophobicContact CH2-CG 4.4Å; W427-L460 HydrophobicContact CZ2-CD1 3.81Å; W427-I495 HydrophobicContact CB-CD1 4.29Å; W427-I495 HydrophobicContact CD2-CD1 4.2Å; W427-I495 HydrophobicContact CD2-CG1 3.75Å; W427-I495 HydrophobicContact CE3-CB 4.39Å; W427-I495 HydrophobicContact CE3-CD1 4.02Å; W427-I495 HydrophobicContact CE3-CG1 3.8Å; W427-I495 HydrophobicContact CE3-CG2 3.9Å; W427-I495 HydrophobicContact CG-CD1 4.33Å; W427-I495 HydrophobicContact CG-CG1 4.08Å; W427-I495 HydrophobicContact CH2-CG2 3.97Å; W427-I495 HydrophobicContact CZ3-CB 4.38Å; W427-I495 HydrophobicContact CZ3-CG1 4.28Å; W427-I495 HydrophobicContact CZ3-CG2 3.57Å; W427-A498 HydrophobicContact CH2-CB 4.23Å; W427-A498 HydrophobicContact CZ2-CB 3.64Å; W427-V499 HydrophobicContact CH2-CG2 4.48Å
428	Y	90.5	Very high	89.6	Confident	102 Å²	102	55.7 Å²	55.7	40%	0.4	28%	0.279	S	S	.	.	H	α-helix	trans	-62	-36.1	175.6	-66.1	-19.1	0	0	0	112.6	Q424 D425 H426 V431 R432	Q424-Y428 HydrophobicContact CG-CD2 4.14Å; Q424-Y428 HydrophobicContact CG-CE1 3.94Å; Q424-Y428 HydrophobicContact CG-CE2 3.49Å; Q424-Y428 VanDerWaalsContact CG-CE2 3.49Å; Q424-Y428 PolarHBondContact NE2-OH 3.06Å; Q424-Y428 VanDerWaalsContact O-CG 3.28Å; Q424-Y428 PolarHBondContact O-N 2.61Å; D425-Y428 PolarHBondContact O-N 2.9Å; H426-Y428 PolarHBondContact O-N 3.27Å; Y428-V431 PolarHBondContact O-N 3.05Å; Y428-R432 WeakPolarHBondContact O-CB 3.47Å; Y428-R432 WeakPolarHBondContact O-CG 3.27Å; Y428-R432 PolarHBondContact O-N 2.93Å
429	S	86.1	Confident	89.3	Confident	7 Å²	7	52.4 Å²	52.4	5%	0.049	25%	0.249	C	C	.	.	H	α-helix	trans	-63.4	-43.4	173.3	-51.7	0	0	0	0	111	T392 D425 H426 W427 V431 R432 V433	T392-S429 WeakPolarHBondContact CG2-OG 3.4Å; D425-S429 PolarHBondContact O-N 3.33Å; D425-S429 VanDerWaalsContact O-N 3.16Å; D425-S429 PolarHBondContact O-OG 2.83Å; H426-S429 WeakPolarHBondContact O-CB 3.32Å; H426-S429 PolarHBondContact O-N 2.91Å; W427-S429 VanDerWaalsContact C-N 3.27Å; W427-S429 PolarHBondContact O-N 3.03Å; S429-V431 PolarHBondContact O-N 3.46Å; S429-R432 PolarHBondContact O-N 2.93Å; S429-R432 PolarHBondContact OG-NH2 2.87Å; S429-V433 WeakPolarHBondContact O-CG2 3.49Å; S429-V433 PolarHBondContact O-N 2.92Å
430	Y	89.7	Confident	88.8	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.6	-44	174.6	-175.4	-87.2	0	0	0	113	Y393 I397 L402 H426 W427 V433 N434 Y456 H457 L459 L460	Y393-Y430 HydrophobicContact CD2-CD2 4.25Å; I397-Y430 HydrophobicContact CB-CD2 3.85Å; I397-Y430 HydrophobicContact CB-CG 4.1Å; I397-Y430 HydrophobicContact CG2-CD1 4.38Å; I397-Y430 HydrophobicContact CG2-CD2 3.52Å; I397-Y430 HydrophobicContact CG2-CE2 4.05Å; I397-Y430 HydrophobicContact CG2-CG 3.72Å; L402-Y430 HydrophobicContact CD1-CE2 3.8Å; H426-Y430 PolarHBondContact O-N 3.27Å; W427-Y430 AromaticContact CE3-CD1 3.96Å; W427-Y430 HydrophobicContact CE3-CD1 3.96Å; W427-Y430 HydrophobicContact CE3-CG 4.3Å; W427-Y430 AromaticContact CH2-CD1 3.96Å; W427-Y430 HydrophobicContact CH2-CD1 3.96Å; W427-Y430 HydrophobicContact CH2-CE1 4.14Å; W427-Y430 AromaticContact CZ3-CD1 3.44Å; W427-Y430 HydrophobicContact CZ3-CD1 3.44Å; W427-Y430 VanDerWaalsContact CZ3-CD1 3.44Å; W427-Y430 AromaticContact CZ3-CE1 3.83Å; W427-Y430 HydrophobicContact CZ3-CE1 3.83Å; W427-Y430 HydrophobicContact CZ3-CG 4.12Å; W427-Y430 WeakPolarHBondContact O-CA 3.22Å; W427-Y430 WeakPolarHBondContact O-CB 3.32Å; W427-Y430 PolarHBondContact O-N 3.25Å; W427-Y430 VanDerWaalsContact O-N 3.09Å; Y430-V433 PolarHBondContact O-N 3.15Å; Y430-N434 VanDerWaalsContact CE1-ND2 3.31Å; Y430-N434 WeakPolarHBondContact CE1-ND2 3.28Å; Y430-N434 PolarHBondContact O-N 2.79Å; Y430-N434 PolarHBondContact O-ND2 3.12Å; Y430-Y456 PolarHBondContact OH-O 2.73Å; Y430-H457 WeakPolarHBondContact CE2-O 3.5Å; Y430-H457 PolarHBondContact OH-O 3.41Å; Y430-L459 PolarHBondContact OH-N 2.7Å; Y430-L460 HydrophobicContact CD1-CD1 4.04Å; Y430-L460 HydrophobicContact CE1-CD1 3.98Å; Y430-L460 HydrophobicContact CE1-CG 4.07Å
431	V	88.5	Confident	88.7	Confident	50 Å²	50	45 Å²	45	30%	0.303	20%	0.204	S	C	.	.	H	α-helix	trans	-63.3	-45.2	175.4	175.7	0	0	0	0	111.3	W427 Y428 S429 V433 N434 Y435 L460	W427-V431 HydrophobicContact CD2-CG2 4.26Å; W427-V431 HydrophobicContact CZ2-CG2 4.1Å; W427-V431 WeakPolarHBondContact O-CG2 3.47Å; W427-V431 PolarHBondContact O-N 3.1Å; Y428-V431 PolarHBondContact O-N 3.05Å; S429-V431 PolarHBondContact O-N 3.46Å; V431-V433 VanDerWaalsContact C-N 3.34Å; V431-V433 PolarHBondContact O-N 2.85Å; V431-N434 PolarHBondContact O-N 3.05Å; V431-Y435 WeakPolarHBondContact O-CB 3.34Å; V431-Y435 PolarHBondContact O-N 3.3Å; V431-L460 HydrophobicContact CG2-CD1 3.77Å
432	R	87.5	Confident	88.2	Confident	106 Å²	106	40 Å²	40	40%	0.4	19%	0.185	S	C	.	.	H	α-helix	trans	-59.2	-44.2	177.4	-77.8	-168.4	-60	-85.4	3.4	111.7	D389 Y428 S429 Y435 Q436	D389-R432 IonicContact OD1-CZ 2.76Å; D389-R432 IonicContact OD1-NE 3.42Å; D389-R432 PolarHBondContact OD1-NE 2.87Å; D389-R432 IonicContact OD1-NH2 2.73Å; D389-R432 PolarHBondContact OD1-NH2 3.49Å; D389-R432 IonicContact OD2-CZ 3.81Å; D389-R432 IonicContact OD2-NE 2.77Å; D389-R432 PolarHBondContact OD2-NE 3.21Å; D389-R432 IonicContact OD2-NH2 2.67Å; Y428-R432 WeakPolarHBondContact O-CB 3.47Å; Y428-R432 WeakPolarHBondContact O-CG 3.27Å; Y428-R432 PolarHBondContact O-N 2.93Å; S429-R432 PolarHBondContact O-N 2.93Å; S429-R432 PolarHBondContact OG-NH2 2.87Å; R432-Y435 WeakPolarHBondContact O-CB 3.49Å; R432-Y435 PolarHBondContact O-N 3.1Å; R432-Q436 WeakPolarHBondContact O-CG 3.27Å; R432-Q436 PolarHBondContact O-N 3.25Å
433	V	87	Confident	87.7	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.1	-46.6	177.9	173.8	0	0	0	0	111	V385 D389 Y393 S429 Y430 V431 Y435 Q436 F437	V385-V433 HydrophobicContact CG1-CG2 3.65Å; V385-V433 HydrophobicContact CG2-CG1 4.3Å; D389-V433 HydrophobicContact CB-CG2 4.13Å; Y393-V433 HydrophobicContact CD1-CB 4.35Å; Y393-V433 HydrophobicContact CD1-CG1 4.24Å; Y393-V433 HydrophobicContact CD1-CG2 3.71Å; Y393-V433 HydrophobicContact CD2-CB 4.16Å; Y393-V433 HydrophobicContact CD2-CG1 3.89Å; Y393-V433 HydrophobicContact CD2-CG2 4.36Å; Y393-V433 HydrophobicContact CE1-CG1 4.17Å; Y393-V433 HydrophobicContact CE1-CG2 4.26Å; Y393-V433 HydrophobicContact CE2-CG1 3.81Å; Y393-V433 HydrophobicContact CG-CB 4.04Å; Y393-V433 HydrophobicContact CG-CG1 4.11Å; Y393-V433 HydrophobicContact CG-CG2 3.76Å; S429-V433 WeakPolarHBondContact O-CG2 3.49Å; S429-V433 PolarHBondContact O-N 2.92Å; Y430-V433 PolarHBondContact O-N 3.15Å; V431-V433 VanDerWaalsContact C-N 3.34Å; V431-V433 PolarHBondContact O-N 2.85Å; V433-Y435 PolarHBondContact O-N 3.04Å; V433-Q436 PolarHBondContact O-N 3.47Å; V433-Q436 VanDerWaalsContact O-N 3.08Å; V433-F437 HydrophobicContact CG1-CD2 3.71Å; V433-F437 HydrophobicContact CG1-CE2 3.68Å; V433-F437 WeakPolarHBondContact O-CD2 3.27Å; V433-F437 PolarHBondContact O-N 3.46Å
434	N	90	Very high	87.2	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-56.8	-40.4	174.6	-86.4	-105.4	0	0	0	111.9	Y430 V431 F437 A438 H457 L458 L459 L460 T461 I464	Y430-N434 VanDerWaalsContact CE1-ND2 3.31Å; Y430-N434 WeakPolarHBondContact CE1-ND2 3.28Å; Y430-N434 PolarHBondContact O-N 2.79Å; Y430-N434 PolarHBondContact O-ND2 3.12Å; V431-N434 PolarHBondContact O-N 3.05Å; N434-F437 PolarHBondContact O-N 3.06Å; N434-A438 WeakPolarHBondContact O-CB 3.25Å; N434-A438 PolarHBondContact O-N 2.94Å; N434-H457 PolarHBondContact ND2-O 3.21Å; N434-L458 WeakPolarHBondContact OD1-CA 3.36Å; N434-L458 PolarHBondContact OD1-O 2.89Å; N434-L459 PolarHBondContact OD1-N 2.93Å; N434-L460 HydrophobicContact CB-CB 3.99Å; N434-L460 PolarHBondContact OD1-N 3.07Å; N434-T461 HydrophobicContact CB-CG2 4.36Å; N434-T461 PolarHBondContact OD1-N 3.25Å; N434-I464 HydrophobicContact CB-CD1 4.11Å
435	Y	85	Confident	86.8	Confident	115 Å²	115	44.3 Å²	44.3	45%	0.451	20%	0.199	S	C	.	.	H	α-helix	trans	-63.3	-43.5	174.7	-177.6	-95.1	0	0	0	112.6	V431 R432 V433 F437 A438 I439 I464	V431-Y435 WeakPolarHBondContact O-CB 3.34Å; V431-Y435 PolarHBondContact O-N 3.3Å; R432-Y435 WeakPolarHBondContact O-CB 3.49Å; R432-Y435 PolarHBondContact O-N 3.1Å; V433-Y435 PolarHBondContact O-N 3.04Å; Y435-F437 PolarHBondContact O-N 2.83Å; Y435-A438 PolarHBondContact O-N 3.16Å; Y435-I439 HydrophobicContact CD1-CG1 4.04Å; Y435-I439 HydrophobicContact CD2-CG1 4.38Å; Y435-I439 HydrophobicContact CE1-CD1 4.25Å; Y435-I439 HydrophobicContact CE1-CG1 3.65Å; Y435-I439 HydrophobicContact CE2-CD1 4.1Å; Y435-I439 HydrophobicContact CE2-CG1 4.01Å; Y435-I439 HydrophobicContact CG-CG1 4.39Å; Y435-I439 WeakPolarHBondContact O-CB 3.41Å; Y435-I439 VanDerWaalsContact O-CG1 3.27Å; Y435-I439 WeakPolarHBondContact O-CG1 3.5Å; Y435-I439 PolarHBondContact O-N 3.32Å; Y435-I464 HydrophobicContact CD2-CD1 4.44Å; Y435-I464 HydrophobicContact CD2-CG2 3.7Å; Y435-I464 HydrophobicContact CE2-CG2 4.22Å
436	Q	84.2	Confident	86.4	Confident	79 Å²	79	45.5 Å²	45.5	37%	0.369	20%	0.198	S	C	.	.	H	α-helix	trans	-60.7	-45.7	175.8	-66.6	-59.4	-20.8	0	0	111.6	V383 R432 V433 I439 N440	V383-Q436 HydrophobicContact CG1-CB 4.35Å; R432-Q436 WeakPolarHBondContact O-CG 3.27Å; R432-Q436 PolarHBondContact O-N 3.25Å; V433-Q436 PolarHBondContact O-N 3.47Å; V433-Q436 VanDerWaalsContact O-N 3.08Å; Q436-I439 PolarHBondContact O-N 2.82Å; Q436-N440 WeakPolarHBondContact O-CB 3.23Å; Q436-N440 PolarHBondContact O-N 3.46Å; Q436-N440 PolarHBondContact O-ND2 3.5Å
437	F	88.8	Confident	85.3	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.8	-46.1	176.1	-86.1	-84.1	0	0	0	112	V261 S262 C304 V383 V385 V433 N434 Y435 I439 N440 A441 L458 T461	V261-F437 HydrophobicContact CG1-CB 4.39Å; V261-F437 HydrophobicContact CG1-CD1 3.58Å; V261-F437 HydrophobicContact CG1-CE1 4.33Å; V261-F437 HydrophobicContact CG1-CG 4.43Å; S262-F437 WeakPolarHBondContact O-CE1 3.48Å; C304-F437 HydrophobicContact CB-CE2 4.3Å; C304-F437 HydrophobicContact CB-CZ 3.71Å; V383-F437 HydrophobicContact CB-CD1 4.15Å; V383-F437 HydrophobicContact CB-CE1 3.92Å; V383-F437 HydrophobicContact CB-CZ 4.18Å; V383-F437 HydrophobicContact CG1-CD1 4.09Å; V383-F437 HydrophobicContact CG1-CD2 4.11Å; V383-F437 HydrophobicContact CG1-CE1 4.18Å; V383-F437 HydrophobicContact CG1-CE2 4.19Å; V383-F437 HydrophobicContact CG1-CG 4.08Å; V383-F437 HydrophobicContact CG1-CZ 4.24Å; V383-F437 HydrophobicContact CG2-CD1 3.76Å; V383-F437 HydrophobicContact CG2-CE1 3.8Å; V383-F437 HydrophobicContact CG2-CG 4.49Å; V385-F437 HydrophobicContact CG2-CE2 4.32Å; V433-F437 HydrophobicContact CG1-CD2 3.71Å; V433-F437 HydrophobicContact CG1-CE2 3.68Å; V433-F437 WeakPolarHBondContact O-CD2 3.27Å; V433-F437 PolarHBondContact O-N 3.46Å; N434-F437 PolarHBondContact O-N 3.06Å; Y435-F437 PolarHBondContact O-N 2.83Å; F437-I439 PolarHBondContact O-N 3.36Å; F437-N440 PolarHBondContact O-N 3.16Å; F437-A441 WeakPolarHBondContact O-CB 2.97Å; F437-A441 PolarHBondContact O-N 3.16Å; F437-L458 HydrophobicContact CB-CD2 3.89Å; F437-L458 HydrophobicContact CD1-CD1 4.02Å; F437-L458 HydrophobicContact CD1-CD2 4.16Å; F437-L458 HydrophobicContact CD2-CD2 3.46Å; F437-L458 VanDerWaalsContact CD2-CD2 3.46Å; F437-L458 HydrophobicContact CE1-CD1 4.3Å; F437-L458 HydrophobicContact CE2-CD2 3.93Å; F437-L458 HydrophobicContact CG-CD1 4.23Å; F437-L458 HydrophobicContact CG-CD2 3.57Å; F437-L458 HydrophobicContact CZ-CD2 4.44Å; F437-T461 HydrophobicContact CB-CG2 4.15Å
438	A	85.5	Confident	84.6	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60	-45.7	178.4	0	0	0	0	0	112.6	N434 Y435 A441 V442 I464 I465	N434-A438 WeakPolarHBondContact O-CB 3.25Å; N434-A438 PolarHBondContact O-N 2.94Å; Y435-A438 PolarHBondContact O-N 3.16Å; A438-A441 PolarHBondContact O-N 2.85Å; A438-V442 WeakPolarHBondContact O-CG2 3.39Å; A438-V442 PolarHBondContact O-N 2.95Å; A438-I464 HydrophobicContact CB-CB 3.73Å; A438-I464 HydrophobicContact CB-CG2 3.48Å; A438-I464 VanDerWaalsContact CB-CG2 3.48Å; A438-I465 HydrophobicContact CB-CD1 4.49Å; A438-I465 HydrophobicContact CB-CG1 3.82Å
439	I	82.8	Confident	84.4	Confident	21 Å²	21	41 Å²	41	11%	0.108	19%	0.185	C	C	.	.	H	α-helix	trans	-65.2	-41.3	178.1	-68	-73.2	0	0	0	111.2	Y435 Q436 F437 A441 V442 R443 L468	Y435-I439 HydrophobicContact CD1-CG1 4.04Å; Y435-I439 HydrophobicContact CD2-CG1 4.38Å; Y435-I439 HydrophobicContact CE1-CD1 4.25Å; Y435-I439 HydrophobicContact CE1-CG1 3.65Å; Y435-I439 HydrophobicContact CE2-CD1 4.1Å; Y435-I439 HydrophobicContact CE2-CG1 4.01Å; Y435-I439 HydrophobicContact CG-CG1 4.39Å; Y435-I439 WeakPolarHBondContact O-CB 3.41Å; Y435-I439 VanDerWaalsContact O-CG1 3.27Å; Y435-I439 WeakPolarHBondContact O-CG1 3.5Å; Y435-I439 PolarHBondContact O-N 3.32Å; Q436-I439 PolarHBondContact O-N 2.82Å; F437-I439 PolarHBondContact O-N 3.36Å; I439-A441 VanDerWaalsContact C-N 3.34Å; I439-V442 PolarHBondContact O-N 3.14Å; I439-R443 HydrophobicContact CG2-CG 4.43Å; I439-R443 WeakPolarHBondContact O-CB 3.49Å; I439-R443 VanDerWaalsContact O-CG 3.23Å; I439-R443 WeakPolarHBondContact O-CG 3.04Å; I439-R443 PolarHBondContact O-N 2.92Å; I439-L468 HydrophobicContact CD1-CD1 3.52Å; I439-L468 HydrophobicContact CD1-CD2 4.07Å; I439-L468 HydrophobicContact CD1-CG 4.45Å; I439-L468 HydrophobicContact CG1-CD1 4.4Å
440	N	83.9	Confident	84.8	Confident	25 Å²	25	41 Å²	41	13%	0.134	18%	0.184	C	C	.	.	H	α-helix	trans	-67.4	-36.4	176.4	-79.3	-78.5	0	0	0	111.6	L302 V383 Q436 F437 R443 N444	L302-N440 HydrophobicContact CD2-CB 4.5Å; V383-N440 HydrophobicContact CG2-CB 3.97Å; Q436-N440 WeakPolarHBondContact O-CB 3.23Å; Q436-N440 PolarHBondContact O-N 3.46Å; Q436-N440 PolarHBondContact O-ND2 3.5Å; F437-N440 PolarHBondContact O-N 3.16Å; N440-R443 PolarHBondContact O-N 3.43Å; N440-N444 WeakPolarHBondContact O-CB 3.48Å; N440-N444 PolarHBondContact O-N 2.94Å; N440-N444 PolarHBondContact O-ND2 3.4Å
441	A	86.4	Confident	85	Confident	0 Å²	0	41 Å²	41	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.1	-52.4	173.5	0	0	0	0	0	111.4	V261 L302 F437 A438 I439 R443 N444 S445 L451 I465	V261-A441 HydrophobicContact CG2-CB 4.04Å; L302-A441 VanDerWaalsContact CD1-CA 3.43Å; L302-A441 HydrophobicContact CD1-CB 4.02Å; F437-A441 WeakPolarHBondContact O-CB 2.97Å; F437-A441 PolarHBondContact O-N 3.16Å; A438-A441 PolarHBondContact O-N 2.85Å; I439-A441 VanDerWaalsContact C-N 3.34Å; A441-R443 VanDerWaalsContact C-N 3.31Å; A441-R443 PolarHBondContact O-N 3.22Å; A441-N444 PolarHBondContact O-N 3.42Å; A441-N444 VanDerWaalsContact O-N 3.15Å; A441-S445 WeakPolarHBondContact O-CB 3.4Å; A441-S445 PolarHBondContact O-N 3.45Å; A441-S445 PolarHBondContact O-OG 2.85Å; A441-L451 HydrophobicContact CB-CD2 3.83Å; A441-I465 HydrophobicContact CB-CD1 4.35Å
442	V	82.4	Confident	85.4	Confident	35 Å²	35	38.6 Å²	38.6	21%	0.212	17%	0.17	C	C	.	.	H	α-helix	trans	-61.4	-36.6	178.6	172.3	0	0	0	0	112.6	A438 I439 N444 S445 I465 L468 F472	A438-V442 WeakPolarHBondContact O-CG2 3.39Å; A438-V442 PolarHBondContact O-N 2.95Å; I439-V442 PolarHBondContact O-N 3.14Å; V442-N444 VanDerWaalsContact C-N 3.29Å; V442-N444 PolarHBondContact O-N 3.09Å; V442-S445 VanDerWaalsContact CA-OG 3.31Å; V442-S445 WeakPolarHBondContact CA-OG 3.37Å; V442-S445 PolarHBondContact O-N 2.78Å; V442-S445 PolarHBondContact O-OG 2.74Å; V442-S445 VanDerWaalsContact O-OG 3.08Å; V442-I465 HydrophobicContact CG2-CB 4.41Å; V442-I465 HydrophobicContact CG2-CG1 4.13Å; V442-I465 HydrophobicContact CG2-CG2 3.93Å; V442-L468 HydrophobicContact CG2-CD1 4.04Å; V442-F472 HydrophobicContact CB-CE2 4.43Å; V442-F472 HydrophobicContact CG1-CE2 3.87Å; V442-F472 HydrophobicContact CG1-CZ 4.27Å; V442-F472 HydrophobicContact CG2-CD2 4.33Å; V442-F472 HydrophobicContact CG2-CE2 4.07Å
443	R	82.2	Confident	85.9	Confident	175 Å²	175	33.6 Å²	33.6	66%	0.66	15%	0.151	S	C	*	.	H	α-helix	trans	-69.5	-26.5	178.5	-77.6	174	178.3	174.7	1.4	113.8	I439 N440 A441	I439-R443 HydrophobicContact CG2-CG 4.43Å; I439-R443 WeakPolarHBondContact O-CB 3.49Å; I439-R443 VanDerWaalsContact O-CG 3.23Å; I439-R443 WeakPolarHBondContact O-CG 3.04Å; I439-R443 PolarHBondContact O-N 2.92Å; N440-R443 PolarHBondContact O-N 3.43Å; A441-R443 VanDerWaalsContact C-N 3.31Å; A441-R443 PolarHBondContact O-N 3.22Å
444	N	81.5	Confident	86.4	Confident	49 Å²	49	33.6 Å²	33.6	26%	0.262	15%	0.151	S	C	.	.	H	α-helix	trans	-98.9	-5.3	-178.7	-73.6	-79.2	0	0	0	112.8	I259 L302 N381 N440 A441 V442	I259-N444 WeakPolarHBondContact CD1-O 3.37Å; L302-N444 HydrophobicContact CD1-CB 4.34Å; N381-N444 PolarHBondContact ND2-OD1 2.89Å; N440-N444 WeakPolarHBondContact O-CB 3.48Å; N440-N444 PolarHBondContact O-N 2.94Å; N440-N444 PolarHBondContact O-ND2 3.4Å; A441-N444 PolarHBondContact O-N 3.42Å; A441-N444 VanDerWaalsContact O-N 3.15Å; V442-N444 VanDerWaalsContact C-N 3.29Å; V442-N444 PolarHBondContact O-N 3.09Å
445	S	84	Confident	86.7	Confident	18 Å²	18	34.9 Å²	34.9	13%	0.126	16%	0.158	C	C	.	.			trans	-99	156.5	-177.8	65.1	0	0	0	0	113.4	I259 A441 V442 F472	I259-S445 VanDerWaalsContact CD1-CB 3.45Å; A441-S445 WeakPolarHBondContact O-CB 3.4Å; A441-S445 PolarHBondContact O-N 3.45Å; A441-S445 PolarHBondContact O-OG 2.85Å; V442-S445 VanDerWaalsContact CA-OG 3.31Å; V442-S445 WeakPolarHBondContact CA-OG 3.37Å; V442-S445 PolarHBondContact O-N 2.78Å; V442-S445 PolarHBondContact O-OG 2.74Å; V442-S445 VanDerWaalsContact O-OG 3.08Å; S445-F472 WeakPolarHBondContact OG-CE1 3.48Å; S445-F472 WeakPolarHBondContact OG-CZ 3.47Å
446	R	80.7	Confident	87.2	Confident	100 Å²	100	29.6 Å²	29.6	38%	0.377	14%	0.137	S	C	.	.			trans	-113.3	158.5	166.3	-51.7	170.1	-175.4	169.2	3.4	108.6	Q448 D449 F472	R446-Q448 HydrophobicContact CB-CG 4.3Å; R446-Q448 PolarHBondContact O-N 2.75Å; R446-D449 PolarHBondContact N-OD2 3.13Å; R446-D449 WeakPolarHBondContact O-CB 3.48Å; R446-D449 PolarHBondContact O-N 3.08Å; R446-F472 WeakPolarHBondContact O-CE1 3.41Å
447	P	72.3	Confident	87.8	Confident	31 Å²	31	26.4 Å²	26.4	20%	0.201	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-18.6	-177.5	-27.4	36.3	0	0	0	116.2	F838	P447-F838 HydrophobicContact CB-CD1 3.95Å; P447-F838 HydrophobicContact CB-CE1 4.31Å; P447-F838 HydrophobicContact CG-CD1 3.85Å; P447-F838 HydrophobicContact CG-CE1 3.84Å
448	Q	78	Confident	88.2	Confident	49 Å²	49	26.4 Å²	26.4	23%	0.229	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-13.1	171.3	58.1	-85.5	46.5	0	0	115.2	E256 R446 P839	E256-Q448 WeakPolarHBondContact CG-O 3.21Å; R446-Q448 HydrophobicContact CB-CG 4.3Å; R446-Q448 PolarHBondContact O-N 2.75Å; Q448-P839 HydrophobicContact CB-CB 3.95Å; Q448-P839 HydrophobicContact CB-CG 3.37Å; Q448-P839 HydrophobicContact CG-CG 3.99Å
449	D	86.9	Confident	88.8	Confident	2 Å²	2	26.4 Å²	26.4	1%	0.011	12%	0.122	C	C	.	.			trans	-78.6	141	-171.5	-64.7	-14.3	0	0	0	109.3	R257 I259 R446 L451	R257-D449 WeakPolarHBondContact CD-OD1 3.5Å; R257-D449 IonicContact CZ-OD2 3.76Å; R257-D449 IonicContact NH1-OD2 2.75Å; R257-D449 PolarHBondContact NH1-OD2 2.82Å; I259-D449 HydrophobicContact CD1-CB 3.82Å; I259-D449 HydrophobicContact CG1-CB 4.24Å; R446-D449 PolarHBondContact N-OD2 3.13Å; R446-D449 WeakPolarHBondContact O-CB 3.48Å; R446-D449 PolarHBondContact O-N 3.08Å; D449-L451 WeakPolarHBondContact O-CD1 3.38Å
450	F	92.6	Very high	89.3	Confident	6 Å²	6	25.9 Å²	25.9	3%	0.026	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	116.9	173.2	-179.3	-109.5	0	0	0	109.9	E256 R257 V258 I259 W452 E473 K508 F795 L796	E256-F450 HydrophobicContact CG-CB 4.32Å; E256-F450 WeakPolarHBondContact OE1-CB 3.33Å; E256-F450 PolarHBondContact OE1-N 2.8Å; R257-F450 PolarHBondContact O-N 3.39Å; R257-F450 VanDerWaalsContact O-N 3.1Å; V258-F450 HydrophobicContact CG1-CD1 4.29Å; I259-F450 PolarHBondContact N-O 3.35Å; F450-W452 HydrophobicContact CD1-CB 4.01Å; F450-W452 HydrophobicContact CE1-CB 3.62Å; F450-W452 HydrophobicContact CE1-CD2 4.37Å; F450-W452 AromaticContact CE1-CG 3.78Å; F450-W452 HydrophobicContact CE1-CG 3.78Å; F450-E473 HydrophobicContact CD2-CB 4Å; F450-E473 HydrophobicContact CD2-CG 3.86Å; F450-E473 HydrophobicContact CE2-CB 4.46Å; F450-E473 HydrophobicContact CE2-CG 3.9Å; F450-K508 HydrophobicContact CE2-CD 4.34Å; F450-K508 HydrophobicContact CE2-CG 4.49Å; F450-K508 HydrophobicContact CZ-CD 4.29Å; F450-K508 HydrophobicContact CZ-CG 4.4Å; F450-F795 HydrophobicContact CE1-CE1 4.2Å; F450-F795 HydrophobicContact CZ-CE1 4.03Å; F450-L796 HydrophobicContact CD1-CD2 3.61Å; F450-L796 HydrophobicContact CE1-CD2 3.35Å; F450-L796 HydrophobicContact CZ-CD2 4.26Å
451	L	94.9	Very high	89.8	Confident	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	111.1	177.1	-75.7	71.3	0	0	0	109.1	A441 D449 I465 F472 E473 V474 G475	A441-L451 HydrophobicContact CB-CD2 3.83Å; D449-L451 WeakPolarHBondContact O-CD1 3.38Å; L451-I465 HydrophobicContact CD2-CD1 3.87Å; L451-I465 HydrophobicContact CD2-CG2 4.25Å; L451-F472 HydrophobicContact CD1-CB 4.39Å; L451-F472 HydrophobicContact CD1-CD1 3.75Å; L451-F472 HydrophobicContact CD1-CE1 4.43Å; L451-F472 HydrophobicContact CD1-CG 4.3Å; L451-E473 PolarHBondContact N-O 2.79Å; L451-V474 HydrophobicContact CB-CB 4.49Å; L451-V474 HydrophobicContact CB-CG1 4.08Å; L451-V474 HydrophobicContact CB-CG2 4.32Å; L451-V474 CarbonylContact O-C 3.58Å; L451-V474 WeakPolarHBondContact O-CA 3.29Å; L451-G475 PolarHBondContact O-N 2.73Å
452	W	96.9	Very high	90	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	101.9	-179.7	-162.4	7.2	0	0	0	111	V258 I259 T260 V261 V292 F450 H454 W791 F795 L796	V258-W452 HydrophobicContact CG1-CB 4.11Å; V258-W452 HydrophobicContact CG1-CE3 4.15Å; I259-W452 PolarHBondContact O-N 3.24Å; T260-W452 CarbonylContact C-O 3.53Å; T260-W452 WeakPolarHBondContact CA-O 3.44Å; V261-W452 PolarHBondContact N-O 2.85Å; V292-W452 HydrophobicContact CG2-CZ3 4.11Å; F450-W452 HydrophobicContact CD1-CB 4.01Å; F450-W452 HydrophobicContact CE1-CB 3.62Å; F450-W452 HydrophobicContact CE1-CD2 4.37Å; F450-W452 AromaticContact CE1-CG 3.78Å; F450-W452 HydrophobicContact CE1-CG 3.78Å; W452-H454 AromaticContact CD1-CE1 3.95Å; W452-H454 AromaticContact CD1-NE2 3.64Å; W452-H454 AromaticContact CD2-CE1 3.56Å; W452-H454 AromaticContact CD2-NE2 3.2Å; W452-H454 AromaticContact CE2-CE1 3.28Å; W452-H454 AromaticContact CE2-NE2 3.46Å; W452-H454 AromaticContact CE3-NE2 3.62Å; W452-H454 AromaticContact CG-NE2 3.39Å; W452-H454 AromaticContact CZ2-CE1 3.61Å; W452-H454 AromaticContact NE1-CE1 3.51Å; W452-H454 AromaticContact NE1-NE2 3.67Å; W452-H454 PolarHBondContact O-CD2 3.04Å; W452-W791 AromaticContact CH2-CH2 3.39Å; W452-W791 HydrophobicContact CH2-CH2 3.39Å; W452-W791 HydrophobicContact CH2-CZ2 4.13Å; W452-W791 AromaticContact CH2-CZ3 3.61Å; W452-W791 HydrophobicContact CH2-CZ3 3.61Å; W452-W791 AromaticContact CZ2-CH2 3.51Å; W452-W791 HydrophobicContact CZ2-CH2 3.51Å; W452-W791 AromaticContact CZ2-CZ2 3.85Å; W452-W791 HydrophobicContact CZ2-CZ2 3.85Å; W452-W791 HydrophobicContact CZ2-CZ3 4.18Å; W452-W791 HydrophobicContact CZ3-CH2 4.5Å; W452-F795 AromaticContact CD1-CE1 3.56Å; W452-F795 HydrophobicContact CD2-CD1 4.47Å; W452-F795 HydrophobicContact CD2-CE1 4.26Å; W452-F795 AromaticContact CE2-CD1 3.58Å; W452-F795 AromaticContact CE2-CE1 3.51Å; W452-F795 HydrophobicContact CG-CE1 4.27Å; W452-F795 HydrophobicContact CH2-CD1 4.46Å; W452-F795 AromaticContact CZ2-CD1 3.57Å; W452-F795 HydrophobicContact CZ2-CD1 3.57Å; W452-F795 AromaticContact CZ2-CE1 4Å; W452-F795 HydrophobicContact CZ2-CE1 4Å; W452-F795 HydrophobicContact CZ2-CG 4.24Å; W452-F795 AromaticContact NE1-CD1 3.59Å; W452-F795 AromaticContact NE1-CE1 3.03Å; W452-F795 AromaticContact NE1-CZ 3.59Å; W452-L796 HydrophobicContact CD2-CD2 4.37Å; W452-L796 HydrophobicContact CE3-CD2 4.23Å; W452-L796 HydrophobicContact CZ3-CD1 4.29Å; W452-L796 HydrophobicContact CZ3-CD2 4.45Å
453	I	97.8	Very high	90.3	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	134.6	-178.8	-47.9	-52	0	0	0	109.8	V261 L458 T461 I465 V474 G475 F476 F477 F506	V261-I453 HydrophobicContact CB-CD1 3.5Å; V261-I453 VanDerWaalsContact CB-CD1 3.5Å; V261-I453 HydrophobicContact CG1-CD1 4.16Å; V261-I453 HydrophobicContact CG2-CD1 3.46Å; V261-I453 VanDerWaalsContact CG2-CD1 3.46Å; I453-L458 HydrophobicContact CG2-CB 3.56Å; I453-L458 HydrophobicContact CG2-CD1 4.11Å; I453-T461 VanDerWaalsContact CG2-OG1 3.22Å; I453-T461 WeakPolarHBondContact CG2-OG1 3.47Å; I453-I465 HydrophobicContact CD1-CD1 4.23Å; I453-V474 HydrophobicContact CD1-CG1 4.31Å; I453-V474 HydrophobicContact CG1-CG1 3.71Å; I453-G475 PolarHBondContact N-O 2.61Å; I453-F476 HydrophobicContact CB-CD2 4Å; I453-F476 HydrophobicContact CG2-CD2 3.89Å; I453-F476 HydrophobicContact CG2-CE2 4.31Å; I453-F476 CarbonylContact O-C 3.56Å; I453-F476 VanDerWaalsContact O-CA 3.29Å; I453-F476 WeakPolarHBondContact O-CA 3.44Å; I453-F476 WeakPolarHBondContact O-CD2 3.35Å; I453-F477 PolarHBondContact O-N 2.71Å; I453-F506 HydrophobicContact CB-CE1 4.06Å; I453-F506 HydrophobicContact CB-CZ 4.48Å; I453-F506 HydrophobicContact CG1-CE1 3.78Å; I453-F506 HydrophobicContact CG2-CE1 4.48Å; I453-F506 HydrophobicContact CG2-CZ 4.47Å
454	H	97.3	Very high	90.4	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	132.8	-178.8	-67.9	-94.8	0	0	0	113.8	V261 L285 C289 W452 H479	V261-H454 PolarHBondContact O-N 2.82Å; L285-H454 HydrophobicContact CD1-CB 3.98Å; L285-H454 WeakPolarHBondContact CD1-ND1 3.47Å; L285-H454 HydrophobicContact CD2-CB 4.12Å; C289-H454 PolarHBondContact SG-CE1 2.6Å; W452-H454 AromaticContact CD1-CE1 3.95Å; W452-H454 AromaticContact CD1-NE2 3.64Å; W452-H454 AromaticContact CD2-CE1 3.56Å; W452-H454 AromaticContact CD2-NE2 3.2Å; W452-H454 AromaticContact CE2-CE1 3.28Å; W452-H454 AromaticContact CE2-NE2 3.46Å; W452-H454 AromaticContact CE3-NE2 3.62Å; W452-H454 AromaticContact CG-NE2 3.39Å; W452-H454 AromaticContact CZ2-CE1 3.61Å; W452-H454 AromaticContact NE1-CE1 3.51Å; W452-H454 AromaticContact NE1-NE2 3.67Å; W452-H454 PolarHBondContact O-CD2 3.04Å; H454-H479 AromaticContact CE1-NE2 3.97Å; H454-H479 AromaticContact CG-NE2 3.98Å; H454-H479 AromaticContact ND1-CE1 3.99Å; H454-H479 AromaticContact ND1-NE2 3.03Å; H454-H479 PolarHBondContact ND1-NE2 2.8Å
455	D	95.7	Very high	90.6	Very high	26 Å²	26	16.6 Å²	16.6	14%	0.139	8%	0.081	C	C	.	.	S	Bend	trans	72.9	166.3	160	-148.8	18.3	0	0	0	117.3	H457 L458 F476 F477	D455-H457 PolarHBondContact O-N 3.2Å; D455-H457 IonicContact OD2-ND1 3.27Å; D455-L458 PolarHBondContact O-N 3.19Å; D455-L458 VanDerWaalsContact O-N 3.11Å; D455-F476 VanDerWaalsContact O-CE2 3.3Å; D455-F476 WeakPolarHBondContact O-CE2 3.35Å; D455-F477 PolarHBondContact N-O 2.82Å
456	Y	97	Very high	90.7	Very high	4 Å²	4	16.2 Å²	16.2	2%	0.016	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-7.7	-169.3	70.9	-80.8	0	0	0	116	S398 N399 L402 W403 Y430 L458 L459 T480	S398-Y456 VanDerWaalsContact O-CE2 3.31Å; S398-Y456 WeakPolarHBondContact O-CE2 3.24Å; N399-Y456 PolarHBondContact OD1-OH 2.74Å; L402-Y456 HydrophobicContact CB-CD2 3.99Å; L402-Y456 HydrophobicContact CD1-CD2 4.46Å; W403-Y456 HydrophobicContact CB-CE2 4.33Å; W403-Y456 AromaticContact CE3-CE1 3.66Å; W403-Y456 HydrophobicContact CE3-CE1 3.66Å; W403-Y456 HydrophobicContact CE3-CE2 4.46Å; W403-Y456 AromaticContact CE3-CZ 3.62Å; W403-Y456 AromaticContact CZ3-CE1 3.95Å; W403-Y456 HydrophobicContact CZ3-CE1 3.95Å; Y430-Y456 PolarHBondContact OH-O 2.73Å; Y456-L458 VanDerWaalsContact C-N 3.31Å; Y456-L459 VanDerWaalsContact O-CD1 3.3Å; Y456-L459 WeakPolarHBondContact O-CD1 3.28Å; Y456-L459 WeakPolarHBondContact O-CG 3.42Å; Y456-T480 HydrophobicContact CD1-CG2 3.61Å; Y456-T480 HydrophobicContact CE1-CG2 3.89Å
457	H	96.5	Very high	90.7	Very high	12 Å²	12	14.5 Å²	14.5	6%	0.056	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-25.5	175.8	-59	90.4	0	0	0	112.5	N263 Y393 Y394 Y430 N434 D455	N263-H457 HydrophobicContact CB-CB 3.79Å; N263-H457 PolarHBondContact ND2-CD2 2.84Å; N263-H457 VanDerWaalsContact ND2-CD2 3.31Å; N263-H457 PolarHBondContact ND2-NE2 3.23Å; Y393-H457 HydrophobicContact CE2-CB 4.48Å; Y394-H457 AromaticContact CD2-CD2 3.89Å; Y394-H457 AromaticContact CD2-NE2 3.62Å; Y394-H457 AromaticContact CE2-NE2 3.48Å; Y394-H457 WeakPolarHBondContact CE2-NE2 3.24Å; Y430-H457 WeakPolarHBondContact CE2-O 3.5Å; Y430-H457 PolarHBondContact OH-O 3.41Å; N434-H457 PolarHBondContact ND2-O 3.21Å; D455-H457 PolarHBondContact O-N 3.2Å; D455-H457 IonicContact OD2-ND1 3.27Å
458	L	97.1	Very high	90.9	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.087	C	C	.	.	S	Bend	trans	-122.3	29	-166.1	-61.8	-177.1	0	0	0	113.3	V261 N434 F437 I453 D455 Y456 L460 T461	V261-L458 HydrophobicContact CG1-CD1 3.89Å; N434-L458 WeakPolarHBondContact OD1-CA 3.36Å; N434-L458 PolarHBondContact OD1-O 2.89Å; F437-L458 HydrophobicContact CB-CD2 3.89Å; F437-L458 HydrophobicContact CD1-CD1 4.02Å; F437-L458 HydrophobicContact CD1-CD2 4.16Å; F437-L458 HydrophobicContact CD2-CD2 3.46Å; F437-L458 VanDerWaalsContact CD2-CD2 3.46Å; F437-L458 HydrophobicContact CE1-CD1 4.3Å; F437-L458 HydrophobicContact CE2-CD2 3.93Å; F437-L458 HydrophobicContact CG-CD1 4.23Å; F437-L458 HydrophobicContact CG-CD2 3.57Å; F437-L458 HydrophobicContact CZ-CD2 4.44Å; I453-L458 HydrophobicContact CG2-CB 3.56Å; I453-L458 HydrophobicContact CG2-CD1 4.11Å; D455-L458 PolarHBondContact O-N 3.19Å; D455-L458 VanDerWaalsContact O-N 3.11Å; Y456-L458 VanDerWaalsContact C-N 3.31Å; L458-L460 PolarHBondContact O-N 2.83Å; L458-L460 VanDerWaalsContact O-N 3.15Å; L458-T461 HydrophobicContact CB-CG2 3.8Å; L458-T461 HydrophobicContact CD2-CG2 4.14Å; L458-T461 HydrophobicContact CG-CG2 4.43Å; L458-T461 WeakPolarHBondContact O-CG2 3.22Å; L458-T461 PolarHBondContact O-N 3.21Å; L458-T461 PolarHBondContact O-OG1 3.22Å
459	L	97.4	Very high	90.9	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-22.9	-172.6	-67.2	163.2	0	0	0	114.4	L402 F406 Y430 N434 Y456 F476 V499 G502 M503	L402-L459 HydrophobicContact CD1-CD1 3.99Å; F406-L459 HydrophobicContact CE2-CD1 3.97Å; F406-L459 HydrophobicContact CZ-CD1 3.81Å; Y430-L459 PolarHBondContact OH-N 2.7Å; N434-L459 PolarHBondContact OD1-N 2.93Å; Y456-L459 VanDerWaalsContact O-CD1 3.3Å; Y456-L459 WeakPolarHBondContact O-CD1 3.28Å; Y456-L459 WeakPolarHBondContact O-CG 3.42Å; L459-F476 HydrophobicContact CD2-CE1 3.63Å; L459-F476 HydrophobicContact CD2-CE2 4.31Å; L459-F476 HydrophobicContact CD2-CZ 3.4Å; L459-F476 HydrophobicContact CG-CZ 4.36Å; L459-V499 HydrophobicContact CD1-CG1 3.93Å; L459-V499 HydrophobicContact CD1-CG2 4.02Å; L459-G502 CarbonylContact O-C 3.59Å; L459-G502 VanDerWaalsContact O-C 3.29Å; L459-G502 WeakPolarHBondContact O-CA 3.28Å; L459-M503 HydrophobicContact CD2-CG 3.77Å; L459-M503 HydrophobicContact CD2-SD 3.77Å
460	L	94.4	Very high	90.6	Very high	11 Å²	11	19.3 Å²	19.3	6%	0.058	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-7.5	-176.5	-55.4	178.5	0	0	0	113.2	W427 Y430 V431 N434 L458 G462 L463 I464 A498	W427-L460 HydrophobicContact CH2-CD1 3.77Å; W427-L460 HydrophobicContact CH2-CD2 4.37Å; W427-L460 HydrophobicContact CH2-CG 4.4Å; W427-L460 HydrophobicContact CZ2-CD1 3.81Å; Y430-L460 HydrophobicContact CD1-CD1 4.04Å; Y430-L460 HydrophobicContact CE1-CD1 3.98Å; Y430-L460 HydrophobicContact CE1-CG 4.07Å; V431-L460 HydrophobicContact CG2-CD1 3.77Å; N434-L460 HydrophobicContact CB-CB 3.99Å; N434-L460 PolarHBondContact OD1-N 3.07Å; L458-L460 PolarHBondContact O-N 2.83Å; L458-L460 VanDerWaalsContact O-N 3.15Å; L460-G462 VanDerWaalsContact C-N 3.32Å; L460-G462 PolarHBondContact O-N 3.43Å; L460-L463 PolarHBondContact O-N 2.82Å; L460-I464 WeakPolarHBondContact O-CG1 3.48Å; L460-I464 PolarHBondContact O-N 2.84Å; L460-A498 WeakPolarHBondContact CD2-O 3.3Å
461	T	93.5	Very high	90	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.006	12%	0.118	C	C	.	.	H	α-helix	trans	-60.6	-38.4	-175	53.9	0	0	0	0	112.8	N434 F437 I453 L458 I464 I465 F506	N434-T461 HydrophobicContact CB-CG2 4.36Å; N434-T461 PolarHBondContact OD1-N 3.25Å; F437-T461 HydrophobicContact CB-CG2 4.15Å; I453-T461 VanDerWaalsContact CG2-OG1 3.22Å; I453-T461 WeakPolarHBondContact CG2-OG1 3.47Å; L458-T461 HydrophobicContact CB-CG2 3.8Å; L458-T461 HydrophobicContact CD2-CG2 4.14Å; L458-T461 HydrophobicContact CG-CG2 4.43Å; L458-T461 WeakPolarHBondContact O-CG2 3.22Å; L458-T461 PolarHBondContact O-N 3.21Å; L458-T461 PolarHBondContact O-OG1 3.22Å; T461-I464 PolarHBondContact O-N 2.99Å; T461-I465 WeakPolarHBondContact O-CB 3.33Å; T461-I465 VanDerWaalsContact O-CG1 3.24Å; T461-I465 WeakPolarHBondContact O-CG1 3.24Å; T461-I465 PolarHBondContact O-N 3.08Å; T461-F506 WeakPolarHBondContact OG1-CZ 3.45Å
462	G	90.2	Very high	89.5	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59	-49.9	177.9	0	0	0	0	0	112.3	L460 I464 I465 Q466 F506	L460-G462 VanDerWaalsContact C-N 3.32Å; L460-G462 PolarHBondContact O-N 3.43Å; G462-I464 VanDerWaalsContact C-N 3.28Å; G462-I464 PolarHBondContact O-N 3.24Å; G462-I465 PolarHBondContact O-N 2.88Å; G462-Q466 VanDerWaalsContact O-CG 3.29Å; G462-Q466 WeakPolarHBondContact O-CG 3.09Å; G462-Q466 PolarHBondContact O-N 2.82Å; G462-F506 VanDerWaalsContact N-CZ 3.27Å
463	L	89.3	Confident	89.1	Confident	68 Å²	68	21.7 Å²	21.7	36%	0.356	12%	0.121	S	C	.	.	H	α-helix	trans	-55	-44.1	174.8	174.5	67.4	0	0	0	111.7	L460 S467 R505	L460-L463 PolarHBondContact O-N 2.82Å; L463-S467 WeakPolarHBondContact O-CB 3.29Å; L463-S467 PolarHBondContact O-N 2.87Å; L463-S467 VanDerWaalsContact O-N 3.11Å; L463-R505 HydrophobicContact CB-CB 3.99Å; L463-R505 HydrophobicContact CB-CG 4.1Å; L463-R505 HydrophobicContact CD1-CB 4.49Å; L463-R505 HydrophobicContact CD1-CG 3.73Å
464	I	85	Confident	89	Confident	20 Å²	20	21.6 Å²	21.6	10%	0.103	12%	0.121	C	C	.	.	H	α-helix	trans	-70	-46	-178.8	-60.2	169.1	0	0	0	110.8	N434 Y435 A438 L460 T461 G462 Q466 S467 L468	N434-I464 HydrophobicContact CB-CD1 4.11Å; Y435-I464 HydrophobicContact CD2-CD1 4.44Å; Y435-I464 HydrophobicContact CD2-CG2 3.7Å; Y435-I464 HydrophobicContact CE2-CG2 4.22Å; A438-I464 HydrophobicContact CB-CB 3.73Å; A438-I464 HydrophobicContact CB-CG2 3.48Å; A438-I464 VanDerWaalsContact CB-CG2 3.48Å; L460-I464 WeakPolarHBondContact O-CG1 3.48Å; L460-I464 PolarHBondContact O-N 2.84Å; T461-I464 PolarHBondContact O-N 2.99Å; G462-I464 VanDerWaalsContact C-N 3.28Å; G462-I464 PolarHBondContact O-N 3.24Å; I464-Q466 PolarHBondContact O-N 3.05Å; I464-S467 CarbonylContact O-C 3.52Å; I464-S467 WeakPolarHBondContact O-CB 3.04Å; I464-S467 PolarHBondContact O-N 3.32Å; I464-S467 VanDerWaalsContact O-N 3.15Å; I464-S467 PolarHBondContact O-OG 3.43Å; I464-L468 HydrophobicContact CG2-CD1 4.28Å; I464-L468 WeakPolarHBondContact O-CG 3.46Å; I464-L468 PolarHBondContact O-N 2.91Å; I464-L468 VanDerWaalsContact O-N 3.16Å
465	I	85.7	Confident	88.9	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-60.2	-48.2	179.8	-67.9	162.3	0	0	0	110.5	A438 A441 V442 L451 I453 T461 G462 S467 L468 D469 F472 V474	A438-I465 HydrophobicContact CB-CD1 4.49Å; A438-I465 HydrophobicContact CB-CG1 3.82Å; A441-I465 HydrophobicContact CB-CD1 4.35Å; V442-I465 HydrophobicContact CG2-CB 4.41Å; V442-I465 HydrophobicContact CG2-CG1 4.13Å; V442-I465 HydrophobicContact CG2-CG2 3.93Å; L451-I465 HydrophobicContact CD2-CD1 3.87Å; L451-I465 HydrophobicContact CD2-CG2 4.25Å; I453-I465 HydrophobicContact CD1-CD1 4.23Å; T461-I465 WeakPolarHBondContact O-CB 3.33Å; T461-I465 VanDerWaalsContact O-CG1 3.24Å; T461-I465 WeakPolarHBondContact O-CG1 3.24Å; T461-I465 PolarHBondContact O-N 3.08Å; G462-I465 PolarHBondContact O-N 2.88Å; I465-S467 PolarHBondContact O-N 3.15Å; I465-L468 WeakPolarHBondContact O-CA 3.2Å; I465-L468 WeakPolarHBondContact O-CB 3.39Å; I465-L468 PolarHBondContact O-N 3.46Å; I465-D469 PolarHBondContact O-N 3.16Å; I465-F472 HydrophobicContact CG2-CB 4.05Å; I465-F472 HydrophobicContact CG2-CD2 4.05Å; I465-F472 HydrophobicContact CG2-CG 4.35Å; I465-V474 HydrophobicContact CB-CG2 4.23Å; I465-V474 HydrophobicContact CD1-CG1 3.94Å; I465-V474 HydrophobicContact CD1-CG2 4.37Å; I465-V474 HydrophobicContact CG2-CG2 3.61Å
466	Q	85.4	Confident	89.1	Confident	9 Å²	9	20.4 Å²	20.4	4%	0.042	11%	0.114	C	C	.	.	H	α-helix	trans	-64.8	-30.6	178.8	-61	-57.9	-12.7	0	0	112	R126 G462 I464 L468 D469 T470 F472 R505 W549	R126-Q466 PolarHBondContact NH2-O 3Å; R126-Q466 VanDerWaalsContact NH2-O 3.14Å; G462-Q466 VanDerWaalsContact O-CG 3.29Å; G462-Q466 WeakPolarHBondContact O-CG 3.09Å; G462-Q466 PolarHBondContact O-N 2.82Å; I464-Q466 PolarHBondContact O-N 3.05Å; Q466-L468 PolarHBondContact O-N 3.31Å; Q466-D469 PolarHBondContact OE1-O 3.23Å; Q466-T470 WeakPolarHBondContact O-CG2 3.27Å; Q466-T470 VanDerWaalsContact OE1-CA 3.27Å; Q466-F472 PolarHBondContact NE2-O 3.02Å; Q466-R505 WeakPolarHBondContact CG-O 3.47Å; Q466-W549 HydrophobicContact CB-CH2 4.49Å; Q466-W549 VanDerWaalsContact CD-CZ2 3.48Å; Q466-W549 HydrophobicContact CG-CH2 3.77Å; Q466-W549 HydrophobicContact CG-CZ2 3.82Å; Q466-W549 HydrophobicContact CG-CZ3 4.29Å
467	S	80.5	Confident	89.1	Confident	65 Å²	65	20.2 Å²	20.2	46%	0.455	11%	0.114	S	C	.	.	H	α-helix	trans	-71.3	-12.5	171.9	84.1	0	0	0	0	114.5	R126 L463 I464 I465	R126-S467 PolarHBondContact NH2-O 3.02Å; L463-S467 WeakPolarHBondContact O-CB 3.29Å; L463-S467 PolarHBondContact O-N 2.87Å; L463-S467 VanDerWaalsContact O-N 3.11Å; I464-S467 CarbonylContact O-C 3.52Å; I464-S467 WeakPolarHBondContact O-CB 3.04Å; I464-S467 PolarHBondContact O-N 3.32Å; I464-S467 VanDerWaalsContact O-N 3.15Å; I464-S467 PolarHBondContact O-OG 3.43Å; I465-S467 PolarHBondContact O-N 3.15Å
468	L	77.8	Confident	89.2	Confident	63 Å²	63	19.6 Å²	19.6	33%	0.33	11%	0.111	S	C	.	.	H	α-helix	trans	-96.9	-47.6	173.2	-63.8	167.3	0	0	0	111.1	R126 I439 V442 I464 I465 Q466	R126-L468 PolarHBondContact NH1-O 3.28Å; I439-L468 HydrophobicContact CD1-CD1 3.52Å; I439-L468 HydrophobicContact CD1-CD2 4.07Å; I439-L468 HydrophobicContact CD1-CG 4.45Å; I439-L468 HydrophobicContact CG1-CD1 4.4Å; V442-L468 HydrophobicContact CG2-CD1 4.04Å; I464-L468 HydrophobicContact CG2-CD1 4.28Å; I464-L468 WeakPolarHBondContact O-CG 3.46Å; I464-L468 PolarHBondContact O-N 2.91Å; I464-L468 VanDerWaalsContact O-N 3.16Å; I465-L468 WeakPolarHBondContact O-CA 3.2Å; I465-L468 WeakPolarHBondContact O-CB 3.39Å; I465-L468 PolarHBondContact O-N 3.46Å; Q466-L468 PolarHBondContact O-N 3.31Å
469	D	76.7	Confident	89.1	Confident	40 Å²	40	21.2 Å²	21.2	21%	0.214	12%	0.119	C	C	.	.			trans	-153.3	121.4	178.1	-170.9	-8.2	0	0	0	110.4	I465 Q466 N471 F472	I465-D469 PolarHBondContact O-N 3.16Å; Q466-D469 PolarHBondContact OE1-O 3.23Å; D469-N471 PolarHBondContact O-N 3.03Å; D469-N471 VanDerWaalsContact OD1-CB 3.28Å; D469-N471 WeakPolarHBondContact OD1-CB 3.47Å; D469-N471 PolarHBondContact OD1-N 3.32Å; D469-N471 PolarHBondContact OD1-ND2 3.43Å; D469-F472 HydrophobicContact CB-CD2 3.71Å; D469-F472 HydrophobicContact CB-CE2 3.63Å
470	T	81.8	Confident	89	Confident	79 Å²	79	21.7 Å²	21.7	49%	0.485	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-5.9	-179.8	54.2	0	0	0	0	113.1	Q466 F472	Q466-T470 WeakPolarHBondContact O-CG2 3.27Å; Q466-T470 VanDerWaalsContact OE1-CA 3.27Å; T470-F472 VanDerWaalsContact C-N 3.33Å
471	N	78.4	Confident	89.2	Confident	39 Å²	39	21.2 Å²	21.2	21%	0.209	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-0.8	-179	-62.8	-61.5	0	0	0	113.6	D469 R833 R841	D469-N471 PolarHBondContact O-N 3.03Å; D469-N471 VanDerWaalsContact OD1-CB 3.28Å; D469-N471 WeakPolarHBondContact OD1-CB 3.47Å; D469-N471 PolarHBondContact OD1-N 3.32Å; D469-N471 PolarHBondContact OD1-ND2 3.43Å; N471-R833 PolarHBondContact O-NH2 3.11Å; N471-R841 PolarHBondContact O-NH2 2.76Å
472	F	84.5	Confident	89.4	Confident	10 Å²	10	21.2 Å²	21.2	4%	0.044	12%	0.119	C	C	.	.			trans	-88	136.9	176	-71.5	-65.7	0	0	0	111.7	V442 S445 R446 L451 I465 Q466 D469 T470 V474 R841	V442-F472 HydrophobicContact CB-CE2 4.43Å; V442-F472 HydrophobicContact CG1-CE2 3.87Å; V442-F472 HydrophobicContact CG1-CZ 4.27Å; V442-F472 HydrophobicContact CG2-CD2 4.33Å; V442-F472 HydrophobicContact CG2-CE2 4.07Å; S445-F472 WeakPolarHBondContact OG-CE1 3.48Å; S445-F472 WeakPolarHBondContact OG-CZ 3.47Å; R446-F472 WeakPolarHBondContact O-CE1 3.41Å; L451-F472 HydrophobicContact CD1-CB 4.39Å; L451-F472 HydrophobicContact CD1-CD1 3.75Å; L451-F472 HydrophobicContact CD1-CE1 4.43Å; L451-F472 HydrophobicContact CD1-CG 4.3Å; I465-F472 HydrophobicContact CG2-CB 4.05Å; I465-F472 HydrophobicContact CG2-CD2 4.05Å; I465-F472 HydrophobicContact CG2-CG 4.35Å; Q466-F472 PolarHBondContact NE2-O 3.02Å; D469-F472 HydrophobicContact CB-CD2 3.71Å; D469-F472 HydrophobicContact CB-CE2 3.63Å; T470-F472 VanDerWaalsContact C-N 3.33Å; F472-V474 HydrophobicContact CB-CG2 3.99Å; F472-R841 VanDerWaalsContact C-NH2 3.28Å
473	E	89.4	Confident	89.8	Confident	7 Å²	7	22.3 Å²	22.3	3%	0.033	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	119.8	167.6	-162.7	174.1	144.9	0	0	107.3	F450 L451 T507 K508 R841	F450-E473 HydrophobicContact CD2-CB 4Å; F450-E473 HydrophobicContact CD2-CG 3.86Å; F450-E473 HydrophobicContact CE2-CB 4.46Å; F450-E473 HydrophobicContact CE2-CG 3.9Å; L451-E473 PolarHBondContact N-O 2.79Å; E473-T507 HydrophobicContact CG-CG2 3.98Å; E473-K508 IonicContact OE1-NZ 3.94Å; E473-R841 IonicContact OE2-CZ 2.79Å; E473-R841 IonicContact OE2-NH1 2.82Å
474	V	94.7	Very high	90.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	108.9	-175.5	-164	0	0	0	0	108.3	L451 I453 I465 F472 F506 T507	L451-V474 HydrophobicContact CB-CB 4.49Å; L451-V474 HydrophobicContact CB-CG1 4.08Å; L451-V474 HydrophobicContact CB-CG2 4.32Å; L451-V474 CarbonylContact O-C 3.58Å; L451-V474 WeakPolarHBondContact O-CA 3.29Å; I453-V474 HydrophobicContact CD1-CG1 4.31Å; I453-V474 HydrophobicContact CG1-CG1 3.71Å; I465-V474 HydrophobicContact CB-CG2 4.23Å; I465-V474 HydrophobicContact CD1-CG1 3.94Å; I465-V474 HydrophobicContact CD1-CG2 4.37Å; I465-V474 HydrophobicContact CG2-CG2 3.61Å; F472-V474 HydrophobicContact CB-CG2 3.99Å; V474-F506 HydrophobicContact CB-CD1 4.11Å; V474-F506 HydrophobicContact CG1-CD1 3.57Å; V474-F506 HydrophobicContact CG1-CE1 3.77Å; V474-F506 CarbonylContact O-C 3.54Å; V474-F506 WeakPolarHBondContact O-CA 3.21Å; V474-F506 WeakPolarHBondContact O-CB 3.4Å; V474-T507 PolarHBondContact N-OG1 3.46Å; V474-T507 PolarHBondContact O-N 3.34Å
475	G	96.9	Very high	90.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	148.9	171.1	0	0	0	0	0	111.8	L451 I453 K508	L451-G475 PolarHBondContact O-N 2.73Å; I453-G475 PolarHBondContact N-O 2.61Å; G475-K508 CarbonylContact C-O 3.54Å; G475-K508 VanDerWaalsContact CA-O 3.29Å; G475-K508 WeakPolarHBondContact CA-O 2.84Å
476	F	98.5	Very high	91.1	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	137.9	172.6	178.5	-110.8	0	0	0	110.9	I453 D455 L459 L478 M503 F506 K508 V509 G510	I453-F476 HydrophobicContact CB-CD2 4Å; I453-F476 HydrophobicContact CG2-CD2 3.89Å; I453-F476 HydrophobicContact CG2-CE2 4.31Å; I453-F476 CarbonylContact O-C 3.56Å; I453-F476 VanDerWaalsContact O-CA 3.29Å; I453-F476 WeakPolarHBondContact O-CA 3.44Å; I453-F476 WeakPolarHBondContact O-CD2 3.35Å; D455-F476 VanDerWaalsContact O-CE2 3.3Å; D455-F476 WeakPolarHBondContact O-CE2 3.35Å; L459-F476 HydrophobicContact CD2-CE1 3.63Å; L459-F476 HydrophobicContact CD2-CE2 4.31Å; L459-F476 HydrophobicContact CD2-CZ 3.4Å; L459-F476 HydrophobicContact CG-CZ 4.36Å; F476-L478 HydrophobicContact CE1-CB 3.85Å; F476-L478 HydrophobicContact CE1-CD1 4.23Å; F476-L478 HydrophobicContact CZ-CB 4.28Å; F476-L478 HydrophobicContact CZ-CD1 4.01Å; F476-M503 HydrophobicContact CD1-CE 4.46Å; F476-M503 HydrophobicContact CE1-CE 4.1Å; F476-F506 HydrophobicContact CB-CB 4.15Å; F476-F506 HydrophobicContact CB-CD1 3.69Å; F476-F506 HydrophobicContact CB-CD2 3.39Å; F476-F506 HydrophobicContact CB-CE1 3.85Å; F476-F506 HydrophobicContact CB-CE2 3.59Å; F476-F506 HydrophobicContact CB-CG 3.45Å; F476-F506 VanDerWaalsContact CB-CG 3.45Å; F476-F506 HydrophobicContact CB-CZ 3.8Å; F476-F506 HydrophobicContact CD1-CD2 4.33Å; F476-F506 HydrophobicContact CD1-CE2 4.17Å; F476-F506 HydrophobicContact CD2-CE1 4.47Å; F476-F506 HydrophobicContact CD2-CE2 4.02Å; F476-F506 AromaticContact CD2-CZ 3.9Å; F476-F506 HydrophobicContact CD2-CZ 3.9Å; F476-F506 AromaticContact CG-CD2 3.91Å; F476-F506 HydrophobicContact CG-CD2 3.91Å; F476-F506 HydrophobicContact CG-CE1 4.45Å; F476-F506 AromaticContact CG-CE2 3.66Å; F476-F506 HydrophobicContact CG-CE2 3.66Å; F476-F506 HydrophobicContact CG-CG 4.42Å; F476-F506 AromaticContact CG-CZ 3.94Å; F476-F506 HydrophobicContact CG-CZ 3.94Å; F476-K508 PolarHBondContact N-O 2.92Å; F476-V509 HydrophobicContact CB-CG2 4.41Å; F476-V509 HydrophobicContact CD1-CG1 4.18Å; F476-V509 CarbonylContact O-C 3.54Å; F476-V509 VanDerWaalsContact O-CA 3.31Å; F476-V509 WeakPolarHBondContact O-CA 3.38Å; F476-G510 PolarHBondContact O-N 3.13Å
477	F	98.2	Very high	91.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	121.7	173.5	-159.8	-77.7	0	0	0	111	I453 D455 H479 Q512 F556 W791 F795	I453-F477 PolarHBondContact O-N 2.71Å; D455-F477 PolarHBondContact N-O 2.82Å; F477-H479 AromaticContact CD1-CD2 3.85Å; F477-H479 AromaticContact CD1-CE1 3.4Å; F477-H479 VanDerWaalsContact CD1-CE1 3.4Å; F477-H479 WeakPolarHBondContact CD1-CE1 3.37Å; F477-H479 AromaticContact CD1-CG 3.97Å; F477-H479 AromaticContact CD1-ND1 3.71Å; F477-H479 AromaticContact CD1-NE2 3.48Å; F477-H479 WeakPolarHBondContact CD1-NE2 3.37Å; F477-H479 AromaticContact CE1-CE1 3.83Å; F477-H479 AromaticContact CE1-ND1 3.8Å; F477-Q512 HydrophobicContact CE1-CG 4.29Å; F477-F556 HydrophobicContact CE2-CB 3.98Å; F477-F556 HydrophobicContact CE2-CD2 4.32Å; F477-F556 HydrophobicContact CZ-CB 4.47Å; F477-F556 WeakPolarHBondContact CZ-O 3.43Å; F477-W791 HydrophobicContact CD1-CZ2 4.08Å; F477-W791 AromaticContact CD2-CZ2 4Å; F477-W791 HydrophobicContact CD2-CZ2 4Å; F477-W791 HydrophobicContact CE1-CZ2 4.07Å; F477-W791 AromaticContact CE2-CE2 3.97Å; F477-W791 AromaticContact CE2-CZ2 3.99Å; F477-W791 HydrophobicContact CE2-CZ2 3.99Å; F477-W791 AromaticContact CE2-NE1 3.37Å; F477-W791 HydrophobicContact CG-CZ2 4.06Å; F477-W791 AromaticContact CZ-CE2 3.96Å; F477-W791 HydrophobicContact CZ-CZ2 4.03Å; F477-W791 AromaticContact CZ-NE1 3.25Å; F477-W791 VanDerWaalsContact CZ-NE1 3.25Å; F477-F795 AromaticContact CD2-CD2 3.73Å; F477-F795 HydrophobicContact CD2-CD2 3.73Å; F477-F795 AromaticContact CD2-CE2 3.88Å; F477-F795 HydrophobicContact CD2-CE2 3.88Å; F477-F795 HydrophobicContact CD2-CG 4.21Å; F477-F795 HydrophobicContact CD2-CZ 4.48Å; F477-F795 HydrophobicContact CE2-CD2 4.14Å
478	L	97.9	Very high	92.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.139	C	C	.	.			trans	-95.7	118.2	175.7	-171.1	66.6	0	0	0	110.3	F406 F476 T480 F482 G510 F511	F406-L478 HydrophobicContact CE2-CD1 4.48Å; F476-L478 HydrophobicContact CE1-CB 3.85Å; F476-L478 HydrophobicContact CE1-CD1 4.23Å; F476-L478 HydrophobicContact CZ-CB 4.28Å; F476-L478 HydrophobicContact CZ-CD1 4.01Å; L478-T480 WeakPolarHBondContact CD1-OG1 3.49Å; L478-F482 HydrophobicContact CD2-CB 3.78Å; L478-F482 HydrophobicContact CD2-CD2 3.71Å; L478-F482 HydrophobicContact CD2-CG 4.16Å; L478-G510 PolarHBondContact N-O 3.47Å; L478-F511 HydrophobicContact CB-CD1 4.28Å; L478-F511 HydrophobicContact CB-CE1 4.32Å; L478-F511 HydrophobicContact CD2-CD1 4.1Å; L478-F511 HydrophobicContact CD2-CE1 3.7Å
479	H	95.3	Very high	93.1	Very high	34 Å²	34	22 Å²	22	16%	0.157	13%	0.126	C	C	.	.			trans	-90.2	-23.5	-178.3	-67.2	-84.2	0	0	0	113.2	L285 H454 F477 W791	L285-H479 VanDerWaalsContact CD1-NE2 3.32Å; L285-H479 WeakPolarHBondContact CD1-NE2 3.38Å; H454-H479 AromaticContact CE1-NE2 3.97Å; H454-H479 AromaticContact CG-NE2 3.98Å; H454-H479 AromaticContact ND1-CE1 3.99Å; H454-H479 AromaticContact ND1-NE2 3.03Å; H454-H479 PolarHBondContact ND1-NE2 2.8Å; F477-H479 AromaticContact CD1-CD2 3.85Å; F477-H479 AromaticContact CD1-CE1 3.4Å; F477-H479 VanDerWaalsContact CD1-CE1 3.4Å; F477-H479 WeakPolarHBondContact CD1-CE1 3.37Å; F477-H479 AromaticContact CD1-CG 3.97Å; F477-H479 AromaticContact CD1-ND1 3.71Å; F477-H479 AromaticContact CD1-NE2 3.48Å; F477-H479 WeakPolarHBondContact CD1-NE2 3.37Å; F477-H479 AromaticContact CE1-CE1 3.83Å; F477-H479 AromaticContact CE1-ND1 3.8Å; H479-W791 AromaticContact CE1-CZ2 3.92Å
480	T	95.6	Very high	94	Very high	10 Å²	10	24.7 Å²	24.7	6%	0.061	14%	0.144	C	C	.	.	S	Bend	trans	-80.3	167.2	174.9	64.1	0	0	0	0	111.4	W403 Y456 L478	W403-T480 HydrophobicContact CE3-CG2 4.02Å; W403-T480 HydrophobicContact CH2-CG2 4.5Å; W403-T480 HydrophobicContact CZ3-CG2 3.57Å; Y456-T480 HydrophobicContact CD1-CG2 3.61Å; Y456-T480 HydrophobicContact CE1-CG2 3.89Å; L478-T480 WeakPolarHBondContact CD1-OG1 3.49Å
481	P	97.8	Very high	94.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.149	C	C	.	.			trans	-55.9	162.7	161.7	-20.4	32.7	0	0	0	111.6	F406 H407 Q483 K701	F406-P481 WeakPolarHBondContact CB-O 3.45Å; H407-P481 WeakPolarHBondContact NE2-CD 3.33Å; P481-Q483 HydrophobicContact CB-CG 4.31Å; P481-K701 HydrophobicContact CB-CB 4.4Å; P481-K701 HydrophobicContact CG-CB 4.03Å
482	F	98.2	Very high	95.4	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.009	15%	0.145	C	C	.	.			trans	-128.9	75	166.3	-165.7	-95.6	0	0	0	108.7	F406 L478 P484 V499 L500 M503 F511 D516 T519 F520 L523	F406-F482 HydrophobicContact CD1-CD2 4.31Å; F406-F482 HydrophobicContact CD1-CE2 4.35Å; F406-F482 HydrophobicContact CD2-CD2 4.31Å; F406-F482 HydrophobicContact CE1-CD2 4.09Å; F406-F482 AromaticContact CE1-CE2 3.73Å; F406-F482 HydrophobicContact CE1-CE2 3.73Å; F406-F482 HydrophobicContact CE2-CD2 4.07Å; F406-F482 HydrophobicContact CE2-CE2 4.19Å; F406-F482 HydrophobicContact CG-CD2 4.43Å; F406-F482 AromaticContact CZ-CD2 3.97Å; F406-F482 HydrophobicContact CZ-CD2 3.97Å; F406-F482 AromaticContact CZ-CE2 3.65Å; F406-F482 HydrophobicContact CZ-CE2 3.65Å; L478-F482 HydrophobicContact CD2-CB 3.78Å; L478-F482 HydrophobicContact CD2-CD2 3.71Å; L478-F482 HydrophobicContact CD2-CG 4.16Å; F482-P484 HydrophobicContact CE1-CG 4.21Å; F482-P484 HydrophobicContact CZ-CG 4.48Å; F482-V499 HydrophobicContact CE2-CG1 4.29Å; F482-L500 HydrophobicContact CE1-CD2 4.32Å; F482-L500 HydrophobicContact CZ-CD2 3.96Å; F482-M503 HydrophobicContact CD2-SD 4.48Å; F482-M503 HydrophobicContact CE2-CE 4.34Å; F482-M503 HydrophobicContact CE2-SD 3.8Å; F482-M503 HydrophobicContact CZ-SD 4.23Å; F482-F511 HydrophobicContact CB-CD1 4.35Å; F482-F511 HydrophobicContact CB-CE1 3.8Å; F482-F511 HydrophobicContact CG-CE1 4.13Å; F482-D516 HydrophobicContact CB-CB 4.16Å; F482-D516 PolarHBondContact N-OD1 3.36Å; F482-T519 VanDerWaalsContact O-CG2 3.31Å; F482-T519 WeakPolarHBondContact O-CG2 3.43Å; F482-F520 HydrophobicContact CD1-CB 3.79Å; F482-F520 HydrophobicContact CD1-CD2 4.33Å; F482-F520 HydrophobicContact CE1-CB 3.95Å; F482-F520 AromaticContact CE1-CD2 3.8Å; F482-F520 HydrophobicContact CE1-CD2 3.8Å; F482-F520 HydrophobicContact CE1-CG 4.39Å; F482-F520 HydrophobicContact CZ-CD2 4Å; F482-L523 HydrophobicContact CE1-CD1 3.86Å
483	Q	97.6	Very high	95.8	Very high	23 Å²	23	31.3 Å²	31.3	11%	0.107	17%	0.169	C	C	.	.			trans	-126.9	53.2	-176.2	-60.8	-66	-47	0	0	112.1	F406 N408 P481 R515 D516 T519 K701	F406-Q483 CarbonylContact O-C 3.56Å; F406-Q483 WeakPolarHBondContact O-CA 3.39Å; F406-Q483 WeakPolarHBondContact O-CB 3.42Å; F406-Q483 PolarHBondContact O-N 3.35Å; N408-Q483 WeakPolarHBondContact CA-O 3.44Å; N408-Q483 HydrophobicContact CB-CB 4.34Å; N408-Q483 VanDerWaalsContact CB-O 3.23Å; N408-Q483 WeakPolarHBondContact CB-O 3.09Å; N408-Q483 PolarHBondContact N-O 3.47Å; P481-Q483 HydrophobicContact CB-CG 4.31Å; Q483-R515 PolarHBondContact NE2-O 3.47Å; Q483-D516 WeakPolarHBondContact CG-OD1 3.44Å; Q483-D516 PolarHBondContact NE2-OD1 3.48Å; Q483-T519 PolarHBondContact NE2-OG1 3.07Å; Q483-T519 PolarHBondContact OE1-OG1 3.3Å; Q483-K701 HydrophobicContact CB-CD 3.73Å; Q483-K701 HydrophobicContact CG-CD 3.86Å
484	P	97.6	Very high	95.8	Very high	14 Å²	14	35 Å²	35	9%	0.091	20%	0.201	C	C	.	.			trans	-59.2	136.8	175.9	27.3	-35.3	0	0	0	111.9	A405 F482 F488 F489 L523	A405-P484 VanDerWaalsContact O-CA 3.27Å; A405-P484 WeakPolarHBondContact O-CA 3.36Å; F482-P484 HydrophobicContact CE1-CG 4.21Å; F482-P484 HydrophobicContact CZ-CG 4.48Å; P484-F488 HydrophobicContact CB-CB 4.11Å; P484-F488 HydrophobicContact CB-CD1 3.69Å; P484-F488 HydrophobicContact CB-CE1 4.45Å; P484-F488 HydrophobicContact CB-CG 4.12Å; P484-F489 HydrophobicContact CB-CE2 3.92Å; P484-F489 HydrophobicContact CG-CE2 3.62Å; P484-F489 HydrophobicContact CG-CZ 4.16Å; P484-L523 HydrophobicContact CG-CD1 3.65Å
485	P	95.6	Very high	95.8	Very high	9 Å²	9	35.3 Å²	35.3	6%	0.058	20%	0.202	C	C	.	.			trans	-66.6	159.2	172	28.4	-33.3	0	0	0	110.7	A405 N408 P410 E487 F488	A405-P485 WeakPolarHBondContact O-CD 2.98Å; N408-P485 WeakPolarHBondContact OD1-CB 3.35Å; P410-P485 HydrophobicContact CB-CG 4.26Å; P410-P485 HydrophobicContact CG-CG 4.39Å; P485-E487 WeakPolarHBondContact CB-OE2 3.49Å; P485-E487 PolarHBondContact O-N 3.3Å; P485-F488 HydrophobicContact CG-CB 4.22Å; P485-F488 WeakPolarHBondContact O-CB 3.43Å; P485-F488 PolarHBondContact O-N 3.23Å
486	A	94.4	Very high	95.7	Very high	74 Å²	74	35.3 Å²	35.3	61%	0.612	20%	0.202	S	C	*	.	H	α-helix	trans	-59.5	-35.4	179.8	0	0	0	0	0	111.7	F488 F489 T490	A486-F488 PolarHBondContact O-N 3.33Å; A486-F489 PolarHBondContact O-N 3.11Å; A486-T490 PolarHBondContact O-N 3.5Å
487	E	94.3	Very high	95.5	Very high	106 Å²	106	36.3 Å²	36.3	50%	0.495	21%	0.209	S	C	.	.	H	α-helix	trans	-59	-26.3	176.4	-63.8	76.8	-171.2	0	0	112.2	P485 F489 T490 D491	P485-E487 WeakPolarHBondContact CB-OE2 3.49Å; P485-E487 PolarHBondContact O-N 3.3Å; E487-F489 VanDerWaalsContact C-N 3.26Å; E487-F489 PolarHBondContact O-N 2.79Å; E487-T490 VanDerWaalsContact CA-OG1 3.29Å; E487-T490 WeakPolarHBondContact CA-OG1 3.27Å; E487-T490 PolarHBondContact O-N 3.44Å; E487-T490 PolarHBondContact O-OG1 3.3Å; E487-D491 VanDerWaalsContact O-CB 3.27Å; E487-D491 WeakPolarHBondContact O-CB 3.34Å; E487-D491 PolarHBondContact O-N 2.76Å
488	F	96.7	Very high	95.3	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.018	22%	0.218	C	C	.	.	H	α-helix	trans	-62.8	-35.2	174.7	-177.8	-110.3	0	0	0	112.2	L401 L402 A405 P484 P485 A486 F492 I495 A496	L401-F488 HydrophobicContact CD1-CD2 4.39Å; L401-F488 HydrophobicContact CD1-CE2 4.01Å; L401-F488 HydrophobicContact CD2-CE2 4.41Å; L401-F488 HydrophobicContact CG-CE2 4.07Å; L402-F488 HydrophobicContact CD2-CZ 3.99Å; A405-F488 HydrophobicContact CB-CD2 3.66Å; A405-F488 HydrophobicContact CB-CE2 3.87Å; A405-F488 HydrophobicContact CB-CG 4.17Å; P484-F488 HydrophobicContact CB-CB 4.11Å; P484-F488 HydrophobicContact CB-CD1 3.69Å; P484-F488 HydrophobicContact CB-CE1 4.45Å; P484-F488 HydrophobicContact CB-CG 4.12Å; P485-F488 HydrophobicContact CG-CB 4.22Å; P485-F488 WeakPolarHBondContact O-CB 3.43Å; P485-F488 PolarHBondContact O-N 3.23Å; A486-F488 PolarHBondContact O-N 3.33Å; F488-F492 HydrophobicContact CD2-CB 4.02Å; F488-F492 AromaticContact CD2-CD2 3.78Å; F488-F492 HydrophobicContact CD2-CD2 3.78Å; F488-F492 HydrophobicContact CD2-CG 4.25Å; F488-F492 HydrophobicContact CE2-CB 3.98Å; F488-F492 HydrophobicContact CE2-CD2 4.31Å; F488-F492 HydrophobicContact CE2-CG 4.38Å; F488-F492 CarbonylContact O-C 3.51Å; F488-F492 WeakPolarHBondContact O-CA 3.04Å; F488-F492 WeakPolarHBondContact O-CB 3.33Å; F488-F492 PolarHBondContact O-N 3.09Å; F488-F492 VanDerWaalsContact O-N 3.13Å; F488-I495 HydrophobicContact CZ-CG2 4.34Å; F488-A496 HydrophobicContact CD1-CB 3.64Å; F488-A496 HydrophobicContact CE1-CB 3.41Å; F488-A496 VanDerWaalsContact CE1-CB 3.41Å; F488-A496 HydrophobicContact CZ-CB 4.1Å
489	F	95.7	Very high	95.1	Very high	11 Å²	11	37.6 Å²	37.6	5%	0.048	22%	0.219	C	C	.	.	H	α-helix	trans	-85.3	-12.2	178.8	-70	-87.9	0	0	0	113.6	P484 A486 E487 K493 A496 L500 L523 H527	P484-F489 HydrophobicContact CB-CE2 3.92Å; P484-F489 HydrophobicContact CG-CE2 3.62Å; P484-F489 HydrophobicContact CG-CZ 4.16Å; A486-F489 PolarHBondContact O-N 3.11Å; E487-F489 VanDerWaalsContact C-N 3.26Å; E487-F489 PolarHBondContact O-N 2.79Å; F489-K493 VanDerWaalsContact O-CB 3.29Å; F489-K493 WeakPolarHBondContact O-CB 3.44Å; F489-K493 WeakPolarHBondContact O-CG 3.3Å; F489-A496 HydrophobicContact CD1-CB 3.45Å; F489-A496 VanDerWaalsContact CD1-CB 3.45Å; F489-A496 HydrophobicContact CE1-CB 3.59Å; F489-A496 HydrophobicContact CG-CB 4.05Å; F489-A496 HydrophobicContact CZ-CB 4.29Å; F489-L500 HydrophobicContact CE1-CD1 3.65Å; F489-L500 HydrophobicContact CE1-CG 4.1Å; F489-L500 HydrophobicContact CZ-CD1 4.24Å; F489-L500 HydrophobicContact CZ-CG 4.49Å; F489-L523 HydrophobicContact CD2-CD2 3.91Å; F489-L523 HydrophobicContact CE2-CD1 3.64Å; F489-L523 HydrophobicContact CE2-CD2 3.5Å; F489-L523 VanDerWaalsContact CE2-CD2 3.5Å; F489-L523 HydrophobicContact CE2-CG 4.09Å; F489-L523 HydrophobicContact CZ-CB 4.16Å; F489-L523 HydrophobicContact CZ-CD1 3.73Å; F489-L523 HydrophobicContact CZ-CD2 3.87Å; F489-L523 HydrophobicContact CZ-CG 4.13Å; F489-H527 WeakPolarHBondContact CB-NE2 3.33Å; F489-H527 AromaticContact CD1-CD2 3.21Å; F489-H527 WeakPolarHBondContact CD1-CD2 3.34Å; F489-H527 AromaticContact CD1-CE1 3.97Å; F489-H527 AromaticContact CD1-CG 3.88Å; F489-H527 AromaticContact CD1-NE2 3.26Å; F489-H527 VanDerWaalsContact CD1-NE2 3.26Å; F489-H527 WeakPolarHBondContact CD1-NE2 3.41Å; F489-H527 AromaticContact CD2-NE2 3.89Å; F489-H527 AromaticContact CE1-CD2 3.52Å; F489-H527 AromaticContact CE1-NE2 3.95Å; F489-H527 AromaticContact CG-CD2 3.72Å; F489-H527 AromaticContact CG-CE1 3.94Å; F489-H527 AromaticContact CG-NE2 3.24Å; F489-H527 WeakPolarHBondContact CG-NE2 3.35Å
490	T	94.1	Very high	95.2	Very high	96 Å²	96	36 Å²	36	59%	0.589	21%	0.211	S	C	*	.	H	α-helix	trans	-91.6	-50.3	170.6	59.6	0	0	0	0	111.4	A486 E487	A486-T490 PolarHBondContact O-N 3.5Å; E487-T490 VanDerWaalsContact CA-OG1 3.29Å; E487-T490 WeakPolarHBondContact CA-OG1 3.27Å; E487-T490 PolarHBondContact O-N 3.44Å; E487-T490 PolarHBondContact O-OG1 3.3Å
491	D	93.8	Very high	95.2	Very high	111 Å²	111	40.6 Å²	40.6	59%	0.594	23%	0.228	S	C	*	.	H	α-helix	trans	-85.3	-33.4	-168.4	-58.9	-3.4	0	0	0	111.3	E487	E487-D491 VanDerWaalsContact O-CB 3.27Å; E487-D491 WeakPolarHBondContact O-CB 3.34Å; E487-D491 PolarHBondContact O-N 2.76Å
492	F	95.9	Very high	95	Very high	27 Å²	27	40.6 Å²	40.6	12%	0.118	23%	0.228	C	C	.	.	S	Bend	trans	-118.2	29.9	-179.4	-52.3	-75.2	0	0	0	112.4	L401 I413 L423 F488 A494 I495 A496	L401-F492 HydrophobicContact CD1-CD1 4Å; L401-F492 HydrophobicContact CD1-CD2 3.86Å; L401-F492 HydrophobicContact CD1-CE1 4.01Å; L401-F492 HydrophobicContact CD1-CE2 3.86Å; L401-F492 HydrophobicContact CD1-CG 3.93Å; L401-F492 HydrophobicContact CD1-CZ 3.93Å; L401-F492 HydrophobicContact CD2-CD1 4.29Å; L401-F492 HydrophobicContact CD2-CG 4.48Å; I413-F492 HydrophobicContact CD1-CE2 4.07Å; I413-F492 HydrophobicContact CG2-CE2 4.3Å; I413-F492 HydrophobicContact CG2-CZ 3.97Å; L423-F492 HydrophobicContact CD1-CD1 4.3Å; L423-F492 HydrophobicContact CD1-CE1 4.5Å; L423-F492 HydrophobicContact CD2-CD1 3.77Å; L423-F492 HydrophobicContact CD2-CE1 4.14Å; F488-F492 HydrophobicContact CD2-CB 4.02Å; F488-F492 AromaticContact CD2-CD2 3.78Å; F488-F492 HydrophobicContact CD2-CD2 3.78Å; F488-F492 HydrophobicContact CD2-CG 4.25Å; F488-F492 HydrophobicContact CE2-CB 3.98Å; F488-F492 HydrophobicContact CE2-CD2 4.31Å; F488-F492 HydrophobicContact CE2-CG 4.38Å; F488-F492 CarbonylContact O-C 3.51Å; F488-F492 WeakPolarHBondContact O-CA 3.04Å; F488-F492 WeakPolarHBondContact O-CB 3.33Å; F488-F492 PolarHBondContact O-N 3.09Å; F488-F492 VanDerWaalsContact O-N 3.13Å; F492-A494 VanDerWaalsContact C-N 3.27Å; F492-A494 PolarHBondContact O-N 3.43Å; F492-I495 PolarHBondContact O-N 3.3Å; F492-A496 PolarHBondContact O-N 3Å
493	K	92.8	Very high	94.9	Very high	130 Å²	130	40.5 Å²	40.5	57%	0.565	23%	0.227	S	C	*	.	H	α-helix	trans	-45.6	-44.8	-172.7	-172.8	174.2	179.5	176.6	0	114.5	F489 I495 A496 V497	F489-K493 VanDerWaalsContact O-CB 3.29Å; F489-K493 WeakPolarHBondContact O-CB 3.44Å; F489-K493 WeakPolarHBondContact O-CG 3.3Å; K493-I495 VanDerWaalsContact C-N 3.31Å; K493-I495 PolarHBondContact O-N 3.19Å; K493-A496 PolarHBondContact O-N 3.41Å; K493-V497 HydrophobicContact CG-CG2 4.17Å; K493-V497 WeakPolarHBondContact O-CB 3.46Å; K493-V497 WeakPolarHBondContact O-CG2 3.35Å; K493-V497 PolarHBondContact O-N 2.91Å
494	A	89.8	Confident	94.9	Very high	84 Å²	84	39.4 Å²	39.4	69%	0.694	22%	0.222	S	C	*	.	H	α-helix	trans	-60.6	-40.4	-178.9	0	0	0	0	0	112.5	F492 A498	F492-A494 VanDerWaalsContact C-N 3.27Å; F492-A494 PolarHBondContact O-N 3.43Å; A494-A498 VanDerWaalsContact O-CB 3.25Å; A494-A498 WeakPolarHBondContact O-CB 3.41Å; A494-A498 PolarHBondContact O-N 3.02Å
495	I	94.2	Very high	94.7	Very high	6 Å²	6	40.2 Å²	40.2	3%	0.031	22%	0.223	C	C	.	.	H	α-helix	trans	-75.8	-46.1	177.6	-64.9	175.5	0	0	0	109.8	I397 L401 L402 L423 W427 F488 F492 K493 V497 A498 V499	I397-I495 HydrophobicContact CD1-CD1 4.21Å; L401-I495 HydrophobicContact CD2-CD1 3.65Å; L401-I495 HydrophobicContact CD2-CG2 4.31Å; L402-I495 HydrophobicContact CD2-CG2 4.37Å; L423-I495 HydrophobicContact CD1-CD1 3.55Å; L423-I495 HydrophobicContact CD2-CD1 4.33Å; L423-I495 HydrophobicContact CG-CD1 4.02Å; W427-I495 HydrophobicContact CB-CD1 4.29Å; W427-I495 HydrophobicContact CD2-CD1 4.2Å; W427-I495 HydrophobicContact CD2-CG1 3.75Å; W427-I495 HydrophobicContact CE3-CB 4.39Å; W427-I495 HydrophobicContact CE3-CD1 4.02Å; W427-I495 HydrophobicContact CE3-CG1 3.8Å; W427-I495 HydrophobicContact CE3-CG2 3.9Å; W427-I495 HydrophobicContact CG-CD1 4.33Å; W427-I495 HydrophobicContact CG-CG1 4.08Å; W427-I495 HydrophobicContact CH2-CG2 3.97Å; W427-I495 HydrophobicContact CZ3-CB 4.38Å; W427-I495 HydrophobicContact CZ3-CG1 4.28Å; W427-I495 HydrophobicContact CZ3-CG2 3.57Å; F488-I495 HydrophobicContact CZ-CG2 4.34Å; F492-I495 PolarHBondContact O-N 3.3Å; K493-I495 VanDerWaalsContact C-N 3.31Å; K493-I495 PolarHBondContact O-N 3.19Å; I495-V497 PolarHBondContact O-N 3.08Å; I495-A498 PolarHBondContact O-N 3.43Å; I495-A498 VanDerWaalsContact O-N 3.15Å; I495-V499 HydrophobicContact CG2-CG2 4.37Å; I495-V499 WeakPolarHBondContact O-CG2 3.45Å; I495-V499 PolarHBondContact O-N 2.96Å
496	A	95	Very high	94.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-59.4	-46.4	-177.5	0	0	0	0	0	112	F488 F489 F492 K493 V499 L500	F488-A496 HydrophobicContact CD1-CB 3.64Å; F488-A496 HydrophobicContact CE1-CB 3.41Å; F488-A496 VanDerWaalsContact CE1-CB 3.41Å; F488-A496 HydrophobicContact CZ-CB 4.1Å; F489-A496 HydrophobicContact CD1-CB 3.45Å; F489-A496 VanDerWaalsContact CD1-CB 3.45Å; F489-A496 HydrophobicContact CE1-CB 3.59Å; F489-A496 HydrophobicContact CG-CB 4.05Å; F489-A496 HydrophobicContact CZ-CB 4.29Å; F492-A496 PolarHBondContact O-N 3Å; K493-A496 PolarHBondContact O-N 3.41Å; A496-V499 PolarHBondContact O-N 2.91Å; A496-L500 PolarHBondContact O-N 3.05Å; A496-L500 VanDerWaalsContact O-N 3.13Å
497	V	94.2	Very high	94.8	Very high	22 Å²	22	36.3 Å²	36.3	13%	0.133	19%	0.192	C	C	.	.	H	α-helix	trans	-67.5	-38.3	175.7	175	0	0	0	0	111.4	K493 I495 V499 L500 R501 L528	K493-V497 HydrophobicContact CG-CG2 4.17Å; K493-V497 WeakPolarHBondContact O-CB 3.46Å; K493-V497 WeakPolarHBondContact O-CG2 3.35Å; K493-V497 PolarHBondContact O-N 2.91Å; I495-V497 PolarHBondContact O-N 3.08Å; V497-V499 VanDerWaalsContact C-N 3.33Å; V497-V499 PolarHBondContact O-N 3.08Å; V497-L500 PolarHBondContact O-N 3.33Å; V497-R501 HydrophobicContact CG1-CG 4.41Å; V497-R501 WeakPolarHBondContact O-CB 3.41Å; V497-R501 WeakPolarHBondContact O-CG 3.45Å; V497-R501 PolarHBondContact O-N 2.97Å; V497-L528 HydrophobicContact CG1-CD2 4.18Å
498	A	94.2	Very high	95	Very high	25 Å²	25	31.4 Å²	31.4	21%	0.207	17%	0.169	C	C	.	.	H	α-helix	trans	-64.2	-37.6	176.3	0	0	0	0	0	112.3	W427 L460 A494 I495 R501 G502	W427-A498 HydrophobicContact CH2-CB 4.23Å; W427-A498 HydrophobicContact CZ2-CB 3.64Å; L460-A498 WeakPolarHBondContact CD2-O 3.3Å; A494-A498 VanDerWaalsContact O-CB 3.25Å; A494-A498 WeakPolarHBondContact O-CB 3.41Å; A494-A498 PolarHBondContact O-N 3.02Å; I495-A498 PolarHBondContact O-N 3.43Å; I495-A498 VanDerWaalsContact O-N 3.15Å; A498-R501 PolarHBondContact O-N 3.49Å; A498-G502 PolarHBondContact O-N 2.94Å
499	V	95	Very high	95.1	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.006	17%	0.168	C	C	.	.	H	α-helix	trans	-61.6	-49.7	173.1	164.2	0	0	0	0	110.9	L402 F406 W427 L459 F482 I495 A496 V497 R501 G502 M503	L402-V499 HydrophobicContact CD2-CG2 4.25Å; F406-V499 HydrophobicContact CZ-CG1 4.18Å; W427-V499 HydrophobicContact CH2-CG2 4.48Å; L459-V499 HydrophobicContact CD1-CG1 3.93Å; L459-V499 HydrophobicContact CD1-CG2 4.02Å; F482-V499 HydrophobicContact CE2-CG1 4.29Å; I495-V499 HydrophobicContact CG2-CG2 4.37Å; I495-V499 WeakPolarHBondContact O-CG2 3.45Å; I495-V499 PolarHBondContact O-N 2.96Å; A496-V499 PolarHBondContact O-N 2.91Å; V497-V499 VanDerWaalsContact C-N 3.33Å; V497-V499 PolarHBondContact O-N 3.08Å; V499-R501 VanDerWaalsContact C-N 3.32Å; V499-R501 PolarHBondContact O-N 3.14Å; V499-G502 PolarHBondContact O-N 2.98Å; V499-M503 HydrophobicContact CG1-CG 4.49Å; V499-M503 HydrophobicContact CG1-SD 3.89Å; V499-M503 WeakPolarHBondContact O-CG 3.31Å; V499-M503 PolarHBondContact O-N 3.26Å
500	L	96.8	Very high	95.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-60.2	-42.1	177.4	-65.5	-176.9	0	0	0	111.9	F482 F489 A496 V497 M503 T504 F520 L523 V524 H527 L528	F482-L500 HydrophobicContact CE1-CD2 4.32Å; F482-L500 HydrophobicContact CZ-CD2 3.96Å; F489-L500 HydrophobicContact CE1-CD1 3.65Å; F489-L500 HydrophobicContact CE1-CG 4.1Å; F489-L500 HydrophobicContact CZ-CD1 4.24Å; F489-L500 HydrophobicContact CZ-CG 4.49Å; A496-L500 PolarHBondContact O-N 3.05Å; A496-L500 VanDerWaalsContact O-N 3.13Å; V497-L500 PolarHBondContact O-N 3.33Å; L500-M503 PolarHBondContact O-N 3.21Å; L500-T504 WeakPolarHBondContact O-CB 3.48Å; L500-T504 WeakPolarHBondContact O-CG2 3.42Å; L500-T504 PolarHBondContact O-N 3.49Å; L500-T504 PolarHBondContact O-OG1 2.84Å; L500-F520 HydrophobicContact CD2-CD2 3.89Å; L500-F520 HydrophobicContact CD2-CE2 3.8Å; L500-L523 HydrophobicContact CD1-CB 4.26Å; L500-L523 HydrophobicContact CD2-CB 4.41Å; L500-V524 HydrophobicContact CD2-CG2 4.19Å; L500-H527 HydrophobicContact CD1-CB 4Å; L500-L528 HydrophobicContact CB-CD1 4.16Å
501	R	94.6	Very high	95.4	Very high	107 Å²	107	26.1 Å²	26.1	40%	0.404	14%	0.138	S	C	.	.	H	α-helix	trans	-64.4	-40.4	175.2	-73.6	178.8	176.2	178.5	-1.9	112.6	V497 A498 V499 T504 R505 L528	V497-R501 HydrophobicContact CG1-CG 4.41Å; V497-R501 WeakPolarHBondContact O-CB 3.41Å; V497-R501 WeakPolarHBondContact O-CG 3.45Å; V497-R501 PolarHBondContact O-N 2.97Å; A498-R501 PolarHBondContact O-N 3.49Å; V499-R501 VanDerWaalsContact C-N 3.32Å; V499-R501 PolarHBondContact O-N 3.14Å; R501-T504 WeakPolarHBondContact CA-OG1 3.29Å; R501-T504 PolarHBondContact O-OG1 3.12Å; R501-R505 VanDerWaalsContact O-CG 3.27Å; R501-R505 WeakPolarHBondContact O-CG 3.44Å; R501-L528 HydrophobicContact CG-CD2 3.99Å
502	G	93.7	Very high	95.5	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.8	-46.4	175.6	0	0	0	0	0	111.9	L459 A498 V499 T504 R505	L459-G502 CarbonylContact O-C 3.59Å; L459-G502 VanDerWaalsContact O-C 3.29Å; L459-G502 WeakPolarHBondContact O-CA 3.28Å; A498-G502 PolarHBondContact O-N 2.94Å; V499-G502 PolarHBondContact O-N 2.98Å; G502-T504 PolarHBondContact O-N 3.19Å; G502-R505 PolarHBondContact O-N 2.91Å
503	M	97.5	Very high	95.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-67.9	-34.5	179.7	-68.2	178.1	72	0	0	113.1	L459 F476 F482 V499 L500 R505 F506 V509 F511 F520	L459-M503 HydrophobicContact CD2-CG 3.77Å; L459-M503 HydrophobicContact CD2-SD 3.77Å; F476-M503 HydrophobicContact CD1-CE 4.46Å; F476-M503 HydrophobicContact CE1-CE 4.1Å; F482-M503 HydrophobicContact CD2-SD 4.48Å; F482-M503 HydrophobicContact CE2-CE 4.34Å; F482-M503 HydrophobicContact CE2-SD 3.8Å; F482-M503 HydrophobicContact CZ-SD 4.23Å; V499-M503 HydrophobicContact CG1-CG 4.49Å; V499-M503 HydrophobicContact CG1-SD 3.89Å; V499-M503 WeakPolarHBondContact O-CG 3.31Å; V499-M503 PolarHBondContact O-N 3.26Å; L500-M503 PolarHBondContact O-N 3.21Å; M503-R505 PolarHBondContact O-N 3.11Å; M503-F506 WeakPolarHBondContact O-CD2 3.19Å; M503-V509 HydrophobicContact CE-CG1 4.25Å; M503-V509 WeakPolarHBondContact O-CG2 3.08Å; M503-F511 HydrophobicContact CE-CE1 4.05Å; M503-F511 HydrophobicContact CE-CZ 3.57Å; M503-F520 HydrophobicContact CB-CE2 3.72Å; M503-F520 HydrophobicContact CB-CZ 3.87Å; M503-F520 HydrophobicContact CE-CD2 3.85Å; M503-F520 HydrophobicContact CE-CE2 3.73Å; M503-F520 HydrophobicContact CE-CZ 4.36Å; M503-F520 HydrophobicContact CG-CE2 4.39Å; M503-F520 HydrophobicContact SD-CD2 4.16Å; M503-F520 HydrophobicContact SD-CE2 3.81Å
504	T	96.2	Very high	95.7	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	14.5	176.6	52.8	0	0	0	0	114.1	L500 R501 G502 F520 V524 L528 V544 W549 T551	L500-T504 WeakPolarHBondContact O-CB 3.48Å; L500-T504 WeakPolarHBondContact O-CG2 3.42Å; L500-T504 PolarHBondContact O-N 3.49Å; L500-T504 PolarHBondContact O-OG1 2.84Å; R501-T504 WeakPolarHBondContact CA-OG1 3.29Å; R501-T504 PolarHBondContact O-OG1 3.12Å; G502-T504 PolarHBondContact O-N 3.19Å; T504-F520 HydrophobicContact CG2-CZ 3.99Å; T504-V524 HydrophobicContact CG2-CG1 4.49Å; T504-V524 HydrophobicContact CG2-CG2 4.03Å; T504-L528 HydrophobicContact CG2-CD1 4.32Å; T504-V544 HydrophobicContact CG2-CG1 3.86Å; T504-W549 VanDerWaalsContact O-CD1 3.24Å; T504-T551 PolarHBondContact O-OG1 3.19Å
505	R	94.6	Very high	96.1	Very high	32 Å²	32	15.3 Å²	15.3	12%	0.121	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.6	0.9	174.6	-72.3	-73.1	-166.6	-104.1	1.6	114	L463 Q466 R501 G502 M503 H546 E547 W549	L463-R505 HydrophobicContact CB-CB 3.99Å; L463-R505 HydrophobicContact CB-CG 4.1Å; L463-R505 HydrophobicContact CD1-CB 4.49Å; L463-R505 HydrophobicContact CD1-CG 3.73Å; Q466-R505 WeakPolarHBondContact CG-O 3.47Å; R501-R505 VanDerWaalsContact O-CG 3.27Å; R501-R505 WeakPolarHBondContact O-CG 3.44Å; G502-R505 PolarHBondContact O-N 2.91Å; M503-R505 PolarHBondContact O-N 3.11Å; R505-H546 PolarHBondContact NH1-O 2.78Å; R505-E547 IonicContact CZ-OE2 3.52Å; R505-E547 IonicContact NH2-OE2 2.7Å; R505-E547 PolarHBondContact NH2-OE2 2.91Å; R505-W549 VanDerWaalsContact NH1-CB 3.34Å
506	F	97.3	Very high	96.3	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.068	C	C	.	.	S	Bend	trans	-77.2	152.8	164.7	-65.2	-71.7	0	0	0	109.9	I453 T461 G462 V474 F476 M503 K508 V509 W549 T551	I453-F506 HydrophobicContact CB-CE1 4.06Å; I453-F506 HydrophobicContact CB-CZ 4.48Å; I453-F506 HydrophobicContact CG1-CE1 3.78Å; I453-F506 HydrophobicContact CG2-CE1 4.48Å; I453-F506 HydrophobicContact CG2-CZ 4.47Å; T461-F506 WeakPolarHBondContact OG1-CZ 3.45Å; G462-F506 VanDerWaalsContact N-CZ 3.27Å; V474-F506 HydrophobicContact CB-CD1 4.11Å; V474-F506 HydrophobicContact CG1-CD1 3.57Å; V474-F506 HydrophobicContact CG1-CE1 3.77Å; V474-F506 CarbonylContact O-C 3.54Å; V474-F506 WeakPolarHBondContact O-CA 3.21Å; V474-F506 WeakPolarHBondContact O-CB 3.4Å; F476-F506 HydrophobicContact CB-CB 4.15Å; F476-F506 HydrophobicContact CB-CD1 3.69Å; F476-F506 HydrophobicContact CB-CD2 3.39Å; F476-F506 HydrophobicContact CB-CE1 3.85Å; F476-F506 HydrophobicContact CB-CE2 3.59Å; F476-F506 HydrophobicContact CB-CG 3.45Å; F476-F506 VanDerWaalsContact CB-CG 3.45Å; F476-F506 HydrophobicContact CB-CZ 3.8Å; F476-F506 HydrophobicContact CD1-CD2 4.33Å; F476-F506 HydrophobicContact CD1-CE2 4.17Å; F476-F506 HydrophobicContact CD2-CE1 4.47Å; F476-F506 HydrophobicContact CD2-CE2 4.02Å; F476-F506 AromaticContact CD2-CZ 3.9Å; F476-F506 HydrophobicContact CD2-CZ 3.9Å; F476-F506 AromaticContact CG-CD2 3.91Å; F476-F506 HydrophobicContact CG-CD2 3.91Å; F476-F506 HydrophobicContact CG-CE1 4.45Å; F476-F506 AromaticContact CG-CE2 3.66Å; F476-F506 HydrophobicContact CG-CE2 3.66Å; F476-F506 HydrophobicContact CG-CG 4.42Å; F476-F506 AromaticContact CG-CZ 3.94Å; F476-F506 HydrophobicContact CG-CZ 3.94Å; M503-F506 WeakPolarHBondContact O-CD2 3.19Å; F506-K508 VanDerWaalsContact C-N 3.31Å; F506-V509 HydrophobicContact CB-CG2 3.91Å; F506-V509 HydrophobicContact CD2-CG2 4.23Å; F506-V509 HydrophobicContact CG-CG2 4.48Å; F506-W549 PolarHBondContact O-NE1 3.03Å; F506-T551 VanDerWaalsContact O-CB 3.3Å; F506-T551 WeakPolarHBondContact O-CB 3.45Å; F506-T551 VanDerWaalsContact O-CG2 3.23Å; F506-T551 WeakPolarHBondContact O-CG2 3.32Å; F506-T551 PolarHBondContact O-OG1 3.18Å
507	T	95.5	Very high	96.4	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.006	7%	0.07	C	C	.	.	S	Bend	trans	-66.7	-40.5	170.6	-49.8	0	0	0	0	109.9	E473 V474 S552 H802 E803	E473-T507 HydrophobicContact CG-CG2 3.98Å; V474-T507 PolarHBondContact N-OG1 3.46Å; V474-T507 PolarHBondContact O-N 3.34Å; T507-S552 PolarHBondContact O-N 3.48Å; T507-H802 PolarHBondContact O-CE1 3.3Å; T507-E803 HydrophobicContact CG2-CG 4.46Å
508	K	97	Very high	96.6	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.009	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	139.5	179.8	63.8	-175.7	177.6	-177.7	0	112.7	F450 E473 G475 F476 F506 S552 F795 L796 W800 T801	F450-K508 HydrophobicContact CE2-CD 4.34Å; F450-K508 HydrophobicContact CE2-CG 4.49Å; F450-K508 HydrophobicContact CZ-CD 4.29Å; F450-K508 HydrophobicContact CZ-CG 4.4Å; E473-K508 IonicContact OE1-NZ 3.94Å; G475-K508 CarbonylContact C-O 3.54Å; G475-K508 VanDerWaalsContact CA-O 3.29Å; G475-K508 WeakPolarHBondContact CA-O 2.84Å; F476-K508 PolarHBondContact N-O 2.92Å; F506-K508 VanDerWaalsContact C-N 3.31Å; K508-S552 CarbonylContact C-O 3.6Å; K508-S552 VanDerWaalsContact CA-O 3.31Å; K508-S552 WeakPolarHBondContact CA-O 3.43Å; K508-F795 HydrophobicContact CD-CZ 4.33Å; K508-F795 HydrophobicContact CG-CE2 4.49Å; K508-F795 HydrophobicContact CG-CZ 4.02Å; K508-F795 PolarHBondContact NZ-O 2.82Å; K508-L796 PolarHBondContact NZ-O 3.46Å; K508-W800 HydrophobicContact CB-CH2 3.51Å; K508-W800 HydrophobicContact CB-CZ2 3.79Å; K508-W800 HydrophobicContact CB-CZ3 4.11Å; K508-W800 HydrophobicContact CD-CH2 4.23Å; K508-W800 HydrophobicContact CD-CZ2 3.6Å; K508-W800 HydrophobicContact CG-CH2 4.24Å; K508-W800 HydrophobicContact CG-CZ2 4.06Å; K508-T801 HydrophobicContact CD-CG2 3.95Å
509	V	98.6	Very high	96.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	124.8	179.9	176.4	0	0	0	0	109.4	F476 M503 F506 F511 T551 S552 V553 G554	F476-V509 HydrophobicContact CB-CG2 4.41Å; F476-V509 HydrophobicContact CD1-CG1 4.18Å; F476-V509 CarbonylContact O-C 3.54Å; F476-V509 VanDerWaalsContact O-CA 3.31Å; F476-V509 WeakPolarHBondContact O-CA 3.38Å; M503-V509 HydrophobicContact CE-CG1 4.25Å; M503-V509 WeakPolarHBondContact O-CG2 3.08Å; F506-V509 HydrophobicContact CB-CG2 3.91Å; F506-V509 HydrophobicContact CD2-CG2 4.23Å; F506-V509 HydrophobicContact CG-CG2 4.48Å; V509-F511 HydrophobicContact CG1-CD2 4.1Å; V509-F511 HydrophobicContact CG1-CE2 3.49Å; V509-F511 VanDerWaalsContact CG1-CE2 3.49Å; V509-F511 HydrophobicContact CG1-CZ 3.96Å; V509-T551 HydrophobicContact CB-CG2 4.28Å; V509-T551 HydrophobicContact CG2-CG2 3.58Å; V509-S552 PolarHBondContact N-O 3.15Å; V509-V553 HydrophobicContact CB-CG1 4.39Å; V509-V553 HydrophobicContact CG1-CG1 4.44Å; V509-V553 WeakPolarHBondContact O-CA 3.4Å; V509-G554 PolarHBondContact O-N 3.45Å
510	G	98.2	Very high	96.9	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	136.4	177.4	0	0	0	0	0	112.2	F476 L478	F476-G510 PolarHBondContact O-N 3.13Å; L478-G510 PolarHBondContact N-O 3.47Å
511	F	98.3	Very high	97	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	160.4	171.3	-68.6	-87.7	0	0	0	111	L478 F482 M503 V509 D516 R517 F520 V553 G554 V555 F556	L478-F511 HydrophobicContact CB-CD1 4.28Å; L478-F511 HydrophobicContact CB-CE1 4.32Å; L478-F511 HydrophobicContact CD2-CD1 4.1Å; L478-F511 HydrophobicContact CD2-CE1 3.7Å; F482-F511 HydrophobicContact CB-CD1 4.35Å; F482-F511 HydrophobicContact CB-CE1 3.8Å; F482-F511 HydrophobicContact CG-CE1 4.13Å; M503-F511 HydrophobicContact CE-CE1 4.05Å; M503-F511 HydrophobicContact CE-CZ 3.57Å; V509-F511 HydrophobicContact CG1-CD2 4.1Å; V509-F511 HydrophobicContact CG1-CE2 3.49Å; V509-F511 VanDerWaalsContact CG1-CE2 3.49Å; V509-F511 HydrophobicContact CG1-CZ 3.96Å; F511-D516 HydrophobicContact CB-CB 4.46Å; F511-D516 HydrophobicContact CD1-CB 3.92Å; F511-D516 HydrophobicContact CG-CB 4.48Å; F511-R517 HydrophobicContact CB-CB 4.33Å; F511-R517 HydrophobicContact CD2-CB 4.03Å; F511-R517 HydrophobicContact CD2-CG 4.39Å; F511-R517 HydrophobicContact CG-CB 4.33Å; F511-F520 HydrophobicContact CE1-CB 4.25Å; F511-F520 HydrophobicContact CE2-CB 4.08Å; F511-F520 AromaticContact CE2-CD1 3.86Å; F511-F520 HydrophobicContact CE2-CD1 3.86Å; F511-F520 AromaticContact CE2-CG 4Å; F511-F520 HydrophobicContact CE2-CG 4Å; F511-F520 HydrophobicContact CZ-CB 3.58Å; F511-F520 AromaticContact CZ-CD1 3.91Å; F511-F520 HydrophobicContact CZ-CD1 3.91Å; F511-F520 HydrophobicContact CZ-CD2 4.06Å; F511-F520 AromaticContact CZ-CG 3.57Å; F511-F520 HydrophobicContact CZ-CG 3.57Å; F511-V553 HydrophobicContact CD2-CG1 3.81Å; F511-V553 HydrophobicContact CE2-CG1 3.52Å; F511-G554 PolarHBondContact N-O 3.24Å; F511-V555 CarbonylContact O-C 3.42Å; F511-V555 WeakPolarHBondContact O-CA 3.44Å; F511-F556 PolarHBondContact O-N 3.5Å
512	Q	96.7	Very high	97.1	Very high	4 Å²	4	16.4 Å²	16.4	2%	0.019	9%	0.09	C	C	.	.	S	Bend	trans	-75.8	-32.3	175.9	-61.4	-69.6	6.4	0	0	113.3	F477 V555 F556 G703 M704	F477-Q512 HydrophobicContact CE1-CG 4.29Å; Q512-V555 WeakPolarHBondContact O-CG1 3.43Å; Q512-F556 PolarHBondContact OE1-O 3.07Å; Q512-G703 WeakPolarHBondContact CB-O 3.33Å; Q512-M704 HydrophobicContact CB-SD 4.25Å; Q512-M704 HydrophobicContact CG-CB 4.21Å
513	T	97.1	Very high	97.4	Very high	3 Å²	3	17.2 Å²	17.2	2%	0.018	10%	0.095	C	C	.	.			trans	-134.7	153.7	-172.1	76.6	0	0	0	0	112.9	R515 D516 R517 G703 Q730	T513-R515 PolarHBondContact O-N 3.33Å; T513-R515 PolarHBondContact OG1-N 3.32Å; T513-D516 PolarHBondContact O-N 3.13Å; T513-D516 VanDerWaalsContact OG1-CG 3.22Å; T513-D516 PolarHBondContact OG1-N 2.82Å; T513-D516 VanDerWaalsContact OG1-N 3.07Å; T513-D516 PolarHBondContact OG1-OD2 3.27Å; T513-R517 PolarHBondContact O-N 2.94Å; T513-R517 VanDerWaalsContact O-N 3.15Å; T513-G703 WeakPolarHBondContact CG2-O 3.47Å; T513-Q730 HydrophobicContact CG2-CB 3.91Å; T513-Q730 HydrophobicContact CG2-CG 4.15Å
514	H	96.1	Very high	97.4	Very high	68 Å²	68	17.2 Å²	17.2	32%	0.315	10%	0.095	S	C	.	.	H	α-helix	trans	-60.1	-34	169.9	-66.9	72.6	0	0	0	112.4	R517 S518 D540	H514-R517 PolarHBondContact CD2-NH2 3.37Å; H514-S518 VanDerWaalsContact O-CB 3.23Å; H514-S518 WeakPolarHBondContact O-CB 3.38Å; H514-S518 PolarHBondContact O-N 3.11Å; H514-S518 PolarHBondContact O-OG 2.95Å; H514-D540 IonicContact CD2-OD2 2.89Å; H514-D540 IonicContact CE1-OD2 3.55Å; H514-D540 IonicContact NE2-OD2 3.46Å; H514-D540 PolarHBondContact NE2-OD2 2.83Å
515	R	96.4	Very high	97.4	Very high	51 Å²	51	19.2 Å²	19.2	19%	0.192	12%	0.115	C	C	.	.	H	α-helix	trans	-57.5	-52.3	176	-178.2	-169	63.9	-158.7	-4.3	111	Q483 T513 S518 T519 S724 G725	Q483-R515 PolarHBondContact NE2-O 3.47Å; T513-R515 PolarHBondContact O-N 3.33Å; T513-R515 PolarHBondContact OG1-N 3.32Å; R515-S518 PolarHBondContact O-N 3.27Å; R515-T519 PolarHBondContact O-N 3.43Å; R515-T519 PolarHBondContact O-OG1 3.43Å; R515-T519 VanDerWaalsContact O-OG1 3.07Å; R515-S724 PolarHBondContact NH1-O 2.96Å; R515-G725 PolarHBondContact NH1-O 2.97Å; R515-G725 PolarHBondContact NH2-O 3.35Å
516	D	98.3	Very high	97.5	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-68.9	-41.3	-177.5	-61	-48.2	0	0	0	112.3	F482 Q483 F511 T513 S518 T519 F520	F482-D516 HydrophobicContact CB-CB 4.16Å; F482-D516 PolarHBondContact N-OD1 3.36Å; Q483-D516 WeakPolarHBondContact CG-OD1 3.44Å; Q483-D516 PolarHBondContact NE2-OD1 3.48Å; F511-D516 HydrophobicContact CB-CB 4.46Å; F511-D516 HydrophobicContact CD1-CB 3.92Å; F511-D516 HydrophobicContact CG-CB 4.48Å; T513-D516 PolarHBondContact O-N 3.13Å; T513-D516 VanDerWaalsContact OG1-CG 3.22Å; T513-D516 PolarHBondContact OG1-N 2.82Å; T513-D516 VanDerWaalsContact OG1-N 3.07Å; T513-D516 PolarHBondContact OG1-OD2 3.27Å; D516-S518 PolarHBondContact O-N 3.47Å; D516-T519 PolarHBondContact O-N 3.15Å; D516-F520 WeakPolarHBondContact O-CB 3.35Å; D516-F520 PolarHBondContact O-N 2.91Å
517	R	98	Very high	97.4	Very high	9 Å²	9	26.5 Å²	26.5	3%	0.034	15%	0.15	C	C	.	.	H	α-helix	trans	-58	-47.3	172.3	-179.5	-170.7	71.5	-176.3	8.1	111.6	F511 T513 H514 F520 V521 D540 Y542 V553 V555	F511-R517 HydrophobicContact CB-CB 4.33Å; F511-R517 HydrophobicContact CD2-CB 4.03Å; F511-R517 HydrophobicContact CD2-CG 4.39Å; F511-R517 HydrophobicContact CG-CB 4.33Å; T513-R517 PolarHBondContact O-N 2.94Å; T513-R517 VanDerWaalsContact O-N 3.15Å; H514-R517 PolarHBondContact CD2-NH2 3.37Å; R517-F520 PolarHBondContact O-N 3.44Å; R517-V521 HydrophobicContact CG-CG2 4.44Å; R517-V521 VanDerWaalsContact O-CG2 3.3Å; R517-V521 WeakPolarHBondContact O-CG2 3.29Å; R517-V521 PolarHBondContact O-N 2.99Å; R517-D540 IonicContact CZ-OD1 2.67Å; R517-D540 VanDerWaalsContact NH1-CG 3.3Å; R517-D540 PolarHBondContact NH1-O 3.43Å; R517-D540 IonicContact NH1-OD1 3.9Å; R517-D540 PolarHBondContact NH1-OD1 3.03Å; R517-D540 IonicContact NH1-OD2 3.3Å; R517-D540 PolarHBondContact NH1-OD2 3.35Å; R517-D540 IonicContact NH2-OD1 2.85Å; R517-D540 PolarHBondContact NH2-OD1 3.5Å; R517-D540 VanDerWaalsContact NH2-OD1 3.16Å; R517-Y542 HydrophobicContact CG-CD2 4.24Å; R517-V553 HydrophobicContact CG-CG1 3.9Å; R517-V555 HydrophobicContact CB-CG2 3.93Å; R517-V555 HydrophobicContact CG-CG2 4.39Å
518	S	97.7	Very high	97.4	Very high	51 Å²	51	26.7 Å²	26.7	36%	0.357	15%	0.151	S	C	.	.	H	α-helix	trans	-67	-41	-176.4	-56.5	0	0	0	0	111.4	H514 R515 D516 V521 S522	H514-S518 VanDerWaalsContact O-CB 3.23Å; H514-S518 WeakPolarHBondContact O-CB 3.38Å; H514-S518 PolarHBondContact O-N 3.11Å; H514-S518 PolarHBondContact O-OG 2.95Å; R515-S518 PolarHBondContact O-N 3.27Å; D516-S518 PolarHBondContact O-N 3.47Å; S518-V521 PolarHBondContact O-N 3.45Å; S518-S522 WeakPolarHBondContact O-CB 3.26Å; S518-S522 PolarHBondContact O-N 3.14Å
519	T	98.2	Very high	97	Very high	34 Å²	34	31.8 Å²	31.8	21%	0.209	19%	0.187	C	C	.	.	H	α-helix	trans	-59.5	-47.8	172.6	-61.3	0	0	0	0	111.1	F482 Q483 R515 D516 V521 S522 L523	F482-T519 VanDerWaalsContact O-CG2 3.31Å; F482-T519 WeakPolarHBondContact O-CG2 3.43Å; Q483-T519 PolarHBondContact NE2-OG1 3.07Å; Q483-T519 PolarHBondContact OE1-OG1 3.3Å; R515-T519 PolarHBondContact O-N 3.43Å; R515-T519 PolarHBondContact O-OG1 3.43Å; R515-T519 VanDerWaalsContact O-OG1 3.07Å; D516-T519 PolarHBondContact O-N 3.15Å; T519-V521 PolarHBondContact O-N 2.93Å; T519-S522 PolarHBondContact O-N 3.2Å; T519-L523 HydrophobicContact CG2-CD1 3.69Å; T519-L523 HydrophobicContact CG2-CG 4.41Å; T519-L523 WeakPolarHBondContact O-CB 3.44Å; T519-L523 WeakPolarHBondContact O-CD1 3.45Å; T519-L523 VanDerWaalsContact O-CG 3.27Å; T519-L523 WeakPolarHBondContact O-CG 3.47Å; T519-L523 PolarHBondContact O-N 3.37Å
520	F	98.5	Very high	96.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-57.4	-49.5	176.3	172.4	-103.7	0	0	0	112.4	F482 L500 M503 T504 F511 D516 R517 S522 L523 V524 V553	F482-F520 HydrophobicContact CD1-CB 3.79Å; F482-F520 HydrophobicContact CD1-CD2 4.33Å; F482-F520 HydrophobicContact CE1-CB 3.95Å; F482-F520 AromaticContact CE1-CD2 3.8Å; F482-F520 HydrophobicContact CE1-CD2 3.8Å; F482-F520 HydrophobicContact CE1-CG 4.39Å; F482-F520 HydrophobicContact CZ-CD2 4Å; L500-F520 HydrophobicContact CD2-CD2 3.89Å; L500-F520 HydrophobicContact CD2-CE2 3.8Å; M503-F520 HydrophobicContact CB-CE2 3.72Å; M503-F520 HydrophobicContact CB-CZ 3.87Å; M503-F520 HydrophobicContact CE-CD2 3.85Å; M503-F520 HydrophobicContact CE-CE2 3.73Å; M503-F520 HydrophobicContact CE-CZ 4.36Å; M503-F520 HydrophobicContact CG-CE2 4.39Å; M503-F520 HydrophobicContact SD-CD2 4.16Å; M503-F520 HydrophobicContact SD-CE2 3.81Å; T504-F520 HydrophobicContact CG2-CZ 3.99Å; F511-F520 HydrophobicContact CE1-CB 4.25Å; F511-F520 HydrophobicContact CE2-CB 4.08Å; F511-F520 AromaticContact CE2-CD1 3.86Å; F511-F520 HydrophobicContact CE2-CD1 3.86Å; F511-F520 AromaticContact CE2-CG 4Å; F511-F520 HydrophobicContact CE2-CG 4Å; F511-F520 HydrophobicContact CZ-CB 3.58Å; F511-F520 AromaticContact CZ-CD1 3.91Å; F511-F520 HydrophobicContact CZ-CD1 3.91Å; F511-F520 HydrophobicContact CZ-CD2 4.06Å; F511-F520 AromaticContact CZ-CG 3.57Å; F511-F520 HydrophobicContact CZ-CG 3.57Å; D516-F520 WeakPolarHBondContact O-CB 3.35Å; D516-F520 PolarHBondContact O-N 2.91Å; R517-F520 PolarHBondContact O-N 3.44Å; F520-S522 VanDerWaalsContact C-N 3.34Å; F520-S522 PolarHBondContact O-N 3.31Å; F520-L523 PolarHBondContact O-N 2.87Å; F520-V524 HydrophobicContact CD1-CG2 4.44Å; F520-V524 HydrophobicContact CD2-CG2 4.3Å; F520-V524 HydrophobicContact CE1-CG2 4.02Å; F520-V524 HydrophobicContact CE2-CG2 3.85Å; F520-V524 HydrophobicContact CZ-CG2 3.71Å; F520-V524 WeakPolarHBondContact O-CG2 3.46Å; F520-V524 PolarHBondContact O-N 3.23Å; F520-V553 HydrophobicContact CD1-CG1 4.07Å; F520-V553 HydrophobicContact CE1-CG1 4.27Å; F520-V553 HydrophobicContact CE1-CG2 4.02Å
521	V	98.3	Very high	96.4	Very high	13 Å²	13	38.7 Å²	38.7	8%	0.079	23%	0.227	C	C	.	.	H	α-helix	trans	-61.7	-41.7	-179.8	171.5	0	0	0	0	111.5	R517 S518 T519 V524 G525 I533 Y542	R517-V521 HydrophobicContact CG-CG2 4.44Å; R517-V521 VanDerWaalsContact O-CG2 3.3Å; R517-V521 WeakPolarHBondContact O-CG2 3.29Å; R517-V521 PolarHBondContact O-N 2.99Å; S518-V521 PolarHBondContact O-N 3.45Å; T519-V521 PolarHBondContact O-N 2.93Å; V521-V524 PolarHBondContact O-N 3Å; V521-G525 PolarHBondContact O-N 3.33Å; V521-I533 HydrophobicContact CG1-CD1 4.08Å; V521-I533 HydrophobicContact CG1-CG2 3.61Å; V521-I533 WeakPolarHBondContact O-CD1 3.48Å; V521-Y542 HydrophobicContact CG1-CD1 4.01Å; V521-Y542 HydrophobicContact CG1-CE1 4.13Å; V521-Y542 HydrophobicContact CG1-CG 4.31Å; V521-Y542 HydrophobicContact CG2-CD1 4.39Å; V521-Y542 HydrophobicContact CG2-CD2 3.86Å; V521-Y542 HydrophobicContact CG2-CE2 4.37Å; V521-Y542 HydrophobicContact CG2-CG 3.86Å
522	S	97.8	Very high	96.4	Very high	77 Å²	77	48.3 Å²	48.3	54%	0.538	26%	0.263	S	S	.	.	H	α-helix	trans	-60.9	-48.1	175.8	-170.7	0	0	0	0	111.7	S518 T519 F520 V524 G525 E526	S518-S522 WeakPolarHBondContact O-CB 3.26Å; S518-S522 PolarHBondContact O-N 3.14Å; T519-S522 PolarHBondContact O-N 3.2Å; F520-S522 VanDerWaalsContact C-N 3.34Å; F520-S522 PolarHBondContact O-N 3.31Å; S522-V524 VanDerWaalsContact C-N 3.33Å; S522-V524 PolarHBondContact O-N 3.36Å; S522-G525 PolarHBondContact O-N 2.92Å; S522-G525 VanDerWaalsContact O-N 3.16Å; S522-E526 WeakPolarHBondContact O-CB 3.14Å; S522-E526 PolarHBondContact O-N 3.39Å
523	L	98.2	Very high	96.4	Very high	17 Å²	17	51.2 Å²	51.2	9%	0.089	28%	0.278	C	S	.	.	H	α-helix	trans	-66.5	-33.8	-179.4	-69.7	166.3	0	0	0	112.5	F482 P484 F489 L500 T519 F520 E526 H527	F482-L523 HydrophobicContact CE1-CD1 3.86Å; P484-L523 HydrophobicContact CG-CD1 3.65Å; F489-L523 HydrophobicContact CD2-CD2 3.91Å; F489-L523 HydrophobicContact CE2-CD1 3.64Å; F489-L523 HydrophobicContact CE2-CD2 3.5Å; F489-L523 VanDerWaalsContact CE2-CD2 3.5Å; F489-L523 HydrophobicContact CE2-CG 4.09Å; F489-L523 HydrophobicContact CZ-CB 4.16Å; F489-L523 HydrophobicContact CZ-CD1 3.73Å; F489-L523 HydrophobicContact CZ-CD2 3.87Å; F489-L523 HydrophobicContact CZ-CG 4.13Å; L500-L523 HydrophobicContact CD1-CB 4.26Å; L500-L523 HydrophobicContact CD2-CB 4.41Å; T519-L523 HydrophobicContact CG2-CD1 3.69Å; T519-L523 HydrophobicContact CG2-CG 4.41Å; T519-L523 WeakPolarHBondContact O-CB 3.44Å; T519-L523 WeakPolarHBondContact O-CD1 3.45Å; T519-L523 VanDerWaalsContact O-CG 3.27Å; T519-L523 WeakPolarHBondContact O-CG 3.47Å; T519-L523 PolarHBondContact O-N 3.37Å; F520-L523 PolarHBondContact O-N 2.87Å; L523-E526 PolarHBondContact O-N 2.73Å; L523-H527 WeakPolarHBondContact O-CB 3.2Å; L523-H527 PolarHBondContact O-CD2 3.11Å; L523-H527 PolarHBondContact O-N 3.3Å
524	V	98	Very high	96.3	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-62.2	-48.9	170.3	166.3	0	0	0	0	110.7	L500 T504 F520 V521 S522 E526 H527 L528 A531 I533 V544	L500-V524 HydrophobicContact CD2-CG2 4.19Å; T504-V524 HydrophobicContact CG2-CG1 4.49Å; T504-V524 HydrophobicContact CG2-CG2 4.03Å; F520-V524 HydrophobicContact CD1-CG2 4.44Å; F520-V524 HydrophobicContact CD2-CG2 4.3Å; F520-V524 HydrophobicContact CE1-CG2 4.02Å; F520-V524 HydrophobicContact CE2-CG2 3.85Å; F520-V524 HydrophobicContact CZ-CG2 3.71Å; F520-V524 WeakPolarHBondContact O-CG2 3.46Å; F520-V524 PolarHBondContact O-N 3.23Å; V521-V524 PolarHBondContact O-N 3Å; S522-V524 VanDerWaalsContact C-N 3.33Å; S522-V524 PolarHBondContact O-N 3.36Å; V524-E526 PolarHBondContact O-N 3.38Å; V524-H527 PolarHBondContact O-N 3.33Å; V524-L528 HydrophobicContact CG1-CB 4.47Å; V524-L528 HydrophobicContact CG1-CD1 4.18Å; V524-L528 WeakPolarHBondContact O-CA 3.3Å; V524-L528 WeakPolarHBondContact O-CB 3.25Å; V524-L528 PolarHBondContact O-N 3.08Å; V524-A531 HydrophobicContact CG1-CB 3.85Å; V524-I533 HydrophobicContact CG1-CD1 4.18Å; V524-V544 HydrophobicContact CG1-CG1 3.71Å
525	G	96.5	Very high	96.4	Very high	42 Å²	42	58.8 Å²	58.8	43%	0.433	31%	0.309	S	S	.	.	H	α-helix	trans	-62.6	-32	178.7	0	0	0	0	0	113.3	V521 S522	V521-G525 PolarHBondContact O-N 3.33Å; S522-G525 PolarHBondContact O-N 2.92Å; S522-G525 VanDerWaalsContact O-N 3.16Å
526	E	96.2	Very high	96.2	Very high	133 Å²	133	57.3 Å²	57.3	62%	0.621	31%	0.306	S	S	*	.	H	α-helix	trans	-77.2	-45.5	178.6	-173.8	177.6	164.8	0	0	113	S522 L523 V524	S522-E526 WeakPolarHBondContact O-CB 3.14Å; S522-E526 PolarHBondContact O-N 3.39Å; L523-E526 PolarHBondContact O-N 2.73Å; V524-E526 PolarHBondContact O-N 3.38Å
527	H	95.7	Very high	95.8	Very high	52 Å²	52	61 Å²	61	24%	0.241	34%	0.336	C	S	.	.	H	α-helix	trans	-102.3	-15.1	-169.4	-62.7	-56.6	0	0	0	114.8	F489 L500 L523 V524	F489-H527 WeakPolarHBondContact CB-NE2 3.33Å; F489-H527 AromaticContact CD1-CD2 3.21Å; F489-H527 WeakPolarHBondContact CD1-CD2 3.34Å; F489-H527 AromaticContact CD1-CE1 3.97Å; F489-H527 AromaticContact CD1-CG 3.88Å; F489-H527 AromaticContact CD1-NE2 3.26Å; F489-H527 VanDerWaalsContact CD1-NE2 3.26Å; F489-H527 WeakPolarHBondContact CD1-NE2 3.41Å; F489-H527 AromaticContact CD2-NE2 3.89Å; F489-H527 AromaticContact CE1-CD2 3.52Å; F489-H527 AromaticContact CE1-NE2 3.95Å; F489-H527 AromaticContact CG-CD2 3.72Å; F489-H527 AromaticContact CG-CE1 3.94Å; F489-H527 AromaticContact CG-NE2 3.24Å; F489-H527 WeakPolarHBondContact CG-NE2 3.35Å; L500-H527 HydrophobicContact CD1-CB 4Å; L523-H527 WeakPolarHBondContact O-CB 3.2Å; L523-H527 PolarHBondContact O-CD2 3.11Å; L523-H527 PolarHBondContact O-N 3.3Å; V524-H527 PolarHBondContact O-N 3.33Å
528	L	94.8	Very high	95.3	Very high	5 Å²	5	66.2 Å²	66.2	3%	0.026	36%	0.359	C	S	.	.			trans	-114	82.4	176.9	-55.7	-176	0	0	0	109.8	V497 L500 R501 T504 V524 N530 A531	V497-L528 HydrophobicContact CG1-CD2 4.18Å; L500-L528 HydrophobicContact CB-CD1 4.16Å; R501-L528 HydrophobicContact CG-CD2 3.99Å; T504-L528 HydrophobicContact CG2-CD1 4.32Å; V524-L528 HydrophobicContact CG1-CB 4.47Å; V524-L528 HydrophobicContact CG1-CD1 4.18Å; V524-L528 WeakPolarHBondContact O-CA 3.3Å; V524-L528 WeakPolarHBondContact O-CB 3.25Å; V524-L528 PolarHBondContact O-N 3.08Å; L528-N530 PolarHBondContact O-N 2.95Å; L528-A531 HydrophobicContact CB-CB 3.97Å; L528-A531 WeakPolarHBondContact O-CB 3.32Å; L528-A531 PolarHBondContact O-N 3.2Å
529	S	88.4	Confident	95	Very high	108 Å²	108	65.5 Å²	65.5	76%	0.755	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-24.7	-171.9	56.6	0	0	0	0	116
530	N	90.4	Very high	94.9	Very high	126 Å²	126	66.4 Å²	66.4	67%	0.674	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	5.9	177.9	-65.3	-23.8	0	0	0	113.1	L528	L528-N530 PolarHBondContact O-N 2.95Å
531	A	95.5	Very high	94.8	Very high	19 Å²	19	66.4 Å²	66.4	16%	0.157	36%	0.356	C	S	.	.			trans	-76.6	134.7	176.1	0	0	0	0	0	110.8	V524 L528 T545 H546	V524-A531 HydrophobicContact CG1-CB 3.85Å; L528-A531 HydrophobicContact CB-CB 3.97Å; L528-A531 WeakPolarHBondContact O-CB 3.32Å; L528-A531 PolarHBondContact O-N 3.2Å; A531-T545 CarbonylContact C-O 3.55Å; A531-T545 VanDerWaalsContact CA-O 3.31Å; A531-T545 WeakPolarHBondContact CA-O 3.46Å; A531-H546 HydrophobicContact CB-CB 4.32Å
532	R	96.9	Very high	94.8	Very high	202 Å²	202	68.2 Å²	68.2	76%	0.762	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.2	130	168.4	-63.1	-177.3	-178.6	-169.7	0.6	108.5	V544 T545	R532-V544 CarbonylContact O-C 3.51Å; R532-V544 WeakPolarHBondContact O-CA 3.12Å; R532-T545 PolarHBondContact N-O 2.93Å; R532-T545 PolarHBondContact O-N 3.45Å
533	I	97.4	Very high	94.7	Very high	65 Å²	65	66.5 Å²	66.5	33%	0.333	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	124.5	-176.4	-59.1	169.7	0	0	0	107.8	V521 V524 Y542 Q543 V544	V521-I533 HydrophobicContact CG1-CD1 4.08Å; V521-I533 HydrophobicContact CG1-CG2 3.61Å; V521-I533 WeakPolarHBondContact O-CD1 3.48Å; V524-I533 HydrophobicContact CG1-CD1 4.18Å; I533-Y542 HydrophobicContact CG2-CD1 3.77Å; I533-Y542 HydrophobicContact CG2-CE1 4.43Å; I533-Q543 WeakPolarHBondContact CA-O 3.32Å; I533-V544 HydrophobicContact CG1-CG2 4.41Å
534	E	95.9	Very high	94.7	Very high	123 Å²	123	65.7 Å²	65.7	58%	0.575	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125	135.5	177.2	-175.8	174.9	169.9	0	0	109.9	Y542 Q543	E534-Y542 CarbonylContact O-C 3.53Å; E534-Y542 VanDerWaalsContact O-CA 3.28Å; E534-Y542 WeakPolarHBondContact O-CA 3.37Å; E534-Q543 PolarHBondContact N-O 3.42Å; E534-Q543 PolarHBondContact O-N 3.35Å
535	Y	96.5	Very high	94.7	Very high	108 Å²	108	67.8 Å²	67.8	42%	0.424	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	128.9	174.4	-179.8	-111.2	0	0	0	110.5	A537 D540 S541 Y542	Y535-A537 HydrophobicContact CD1-CB 4.43Å; Y535-A537 HydrophobicContact CE1-CB 3.95Å; Y535-D540 WeakPolarHBondContact CE2-OD1 3.49Å; Y535-D540 PolarHBondContact OH-OD1 3.27Å; Y535-S541 WeakPolarHBondContact CD2-O 3.46Å; Y535-Y542 HydrophobicContact CD2-CD1 4.04Å; Y535-Y542 HydrophobicContact CD2-CD2 4.16Å; Y535-Y542 AromaticContact CD2-CE1 3.7Å; Y535-Y542 HydrophobicContact CD2-CE1 3.7Å; Y535-Y542 AromaticContact CD2-CE2 3.82Å; Y535-Y542 HydrophobicContact CD2-CE2 3.82Å; Y535-Y542 HydrophobicContact CD2-CG 4.27Å; Y535-Y542 AromaticContact CD2-CZ 3.58Å; Y535-Y542 HydrophobicContact CE2-CE2 4.2Å; Y535-Y542 HydrophobicContact CG-CE1 4.14Å
536	V	92.8	Very high	94.5	Very high	20 Å²	20	66.1 Å²	66.1	12%	0.121	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	99.3	179	-174	0	0	0	0	108.6	K538 T539 D540 S541 Q543	V536-K538 VanDerWaalsContact C-N 3.33Å; V536-K538 PolarHBondContact O-N 2.93Å; V536-T539 WeakPolarHBondContact CG1-OG1 3.49Å; V536-T539 PolarHBondContact O-N 3.22Å; V536-D540 PolarHBondContact O-N 3.43Å; V536-D540 VanDerWaalsContact O-N 3.11Å; V536-S541 PolarHBondContact N-O 3.14Å; V536-S541 PolarHBondContact O-N 3.5Å; V536-Q543 HydrophobicContact CG2-CG 3.8Å
537	A	90.6	Very high	94.1	Very high	76 Å²	76	64.5 Å²	64.5	63%	0.628	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-62.5	-36	-174	0	0	0	0	0	113.6	Y535 T539 D540	Y535-A537 HydrophobicContact CD1-CB 4.43Å; Y535-A537 HydrophobicContact CE1-CB 3.95Å; A537-T539 VanDerWaalsContact C-N 3.28Å; A537-T539 PolarHBondContact O-N 3.16Å; A537-D540 PolarHBondContact O-N 3.2Å
538	K	87.4	Confident	93.7	Very high	119 Å²	119	65.5 Å²	65.5	52%	0.517	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-61.5	-35.2	-176.4	-172.4	179.3	-178.7	-174.3	0	113.2	V536 S807	V536-K538 VanDerWaalsContact C-N 3.33Å; V536-K538 PolarHBondContact O-N 2.93Å; K538-S807 VanDerWaalsContact NZ-CB 3.27Å; K538-S807 PolarHBondContact NZ-O 3.35Å; K538-S807 PolarHBondContact NZ-OG 2.98Å
539	T	91.6	Very high	93.6	Very high	37 Å²	37	67.7 Å²	67.7	23%	0.227	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-108.8	1.9	-176.8	50.7	0	0	0	0	112.4	V536 A537 S541 W800	V536-T539 WeakPolarHBondContact CG1-OG1 3.49Å; V536-T539 PolarHBondContact O-N 3.22Å; A537-T539 VanDerWaalsContact C-N 3.28Å; A537-T539 PolarHBondContact O-N 3.16Å; T539-S541 VanDerWaalsContact C-N 3.31Å; T539-S541 PolarHBondContact O-N 3.13Å; T539-S541 PolarHBondContact OG1-OG 3.44Å; T539-W800 HydrophobicContact CG2-CB 4.03Å
540	D	94.8	Very high	93.9	Very high	52 Å²	52	64 Å²	64	28%	0.278	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	41.6	58.3	-168.9	-177.9	28.5	0	0	0	111.9	H514 R517 Y535 V536 A537	H514-D540 IonicContact CD2-OD2 2.89Å; H514-D540 IonicContact CE1-OD2 3.55Å; H514-D540 IonicContact NE2-OD2 3.46Å; H514-D540 PolarHBondContact NE2-OD2 2.83Å; R517-D540 IonicContact CZ-OD1 2.67Å; R517-D540 VanDerWaalsContact NH1-CG 3.3Å; R517-D540 PolarHBondContact NH1-O 3.43Å; R517-D540 IonicContact NH1-OD1 3.9Å; R517-D540 PolarHBondContact NH1-OD1 3.03Å; R517-D540 IonicContact NH1-OD2 3.3Å; R517-D540 PolarHBondContact NH1-OD2 3.35Å; R517-D540 IonicContact NH2-OD1 2.85Å; R517-D540 PolarHBondContact NH2-OD1 3.5Å; R517-D540 VanDerWaalsContact NH2-OD1 3.16Å; Y535-D540 WeakPolarHBondContact CE2-OD1 3.49Å; Y535-D540 PolarHBondContact OH-OD1 3.27Å; V536-D540 PolarHBondContact O-N 3.43Å; V536-D540 VanDerWaalsContact O-N 3.11Å; A537-D540 PolarHBondContact O-N 3.2Å
541	S	96.6	Very high	94.3	Very high	1 Å²	1	58 Å²	58	1%	0.007	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	160.3	-177.1	68.2	0	0	0	0	111.6	Y535 V536 T539 V553	Y535-S541 WeakPolarHBondContact CD2-O 3.46Å; V536-S541 PolarHBondContact N-O 3.14Å; V536-S541 PolarHBondContact O-N 3.5Å; T539-S541 VanDerWaalsContact C-N 3.31Å; T539-S541 PolarHBondContact O-N 3.13Å; T539-S541 PolarHBondContact OG1-OG 3.44Å; S541-V553 CarbonylContact C-O 3.38Å; S541-V553 VanDerWaalsContact CA-O 3.28Å; S541-V553 WeakPolarHBondContact CA-O 3.49Å; S541-V553 WeakPolarHBondContact CB-O 3.46Å
542	Y	98	Very high	94.4	Very high	50 Å²	50	57.1 Å²	57.1	20%	0.196	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	144	169.6	-68.6	-92.3	0	0	0	111	R517 V521 I533 E534 Y535 S552 V553	R517-Y542 HydrophobicContact CG-CD2 4.24Å; V521-Y542 HydrophobicContact CG1-CD1 4.01Å; V521-Y542 HydrophobicContact CG1-CE1 4.13Å; V521-Y542 HydrophobicContact CG1-CG 4.31Å; V521-Y542 HydrophobicContact CG2-CD1 4.39Å; V521-Y542 HydrophobicContact CG2-CD2 3.86Å; V521-Y542 HydrophobicContact CG2-CE2 4.37Å; V521-Y542 HydrophobicContact CG2-CG 3.86Å; I533-Y542 HydrophobicContact CG2-CD1 3.77Å; I533-Y542 HydrophobicContact CG2-CE1 4.43Å; E534-Y542 CarbonylContact O-C 3.53Å; E534-Y542 VanDerWaalsContact O-CA 3.28Å; E534-Y542 WeakPolarHBondContact O-CA 3.37Å; Y535-Y542 HydrophobicContact CD2-CD1 4.04Å; Y535-Y542 HydrophobicContact CD2-CD2 4.16Å; Y535-Y542 AromaticContact CD2-CE1 3.7Å; Y535-Y542 HydrophobicContact CD2-CE1 3.7Å; Y535-Y542 AromaticContact CD2-CE2 3.82Å; Y535-Y542 HydrophobicContact CD2-CE2 3.82Å; Y535-Y542 HydrophobicContact CD2-CG 4.27Å; Y535-Y542 AromaticContact CD2-CZ 3.58Å; Y535-Y542 HydrophobicContact CE2-CE2 4.2Å; Y535-Y542 HydrophobicContact CG-CE1 4.14Å; Y542-S552 CarbonylContact O-C 3.36Å; Y542-S552 WeakPolarHBondContact O-CA 3.4Å; Y542-V553 PolarHBondContact N-O 2.93Å; Y542-V553 PolarHBondContact O-N 3.47Å
543	Q	97.5	Very high	94.5	Very high	41 Å²	41	47.5 Å²	47.5	19%	0.192	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	118.2	165	-63.5	-174.7	2.9	0	0	108.4	I533 E534 V536 T550 H802	I533-Q543 WeakPolarHBondContact CA-O 3.32Å; E534-Q543 PolarHBondContact N-O 3.42Å; E534-Q543 PolarHBondContact O-N 3.35Å; V536-Q543 HydrophobicContact CG2-CG 3.8Å; Q543-T550 HydrophobicContact CB-CG2 4.15Å; Q543-H802 HydrophobicContact CG-CB 3.98Å
544	V	98	Very high	94.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	111	178.6	178.1	0	0	0	0	108.1	T504 V524 R532 I533 T550 T551 V553	T504-V544 HydrophobicContact CG2-CG1 3.86Å; V524-V544 HydrophobicContact CG1-CG1 3.71Å; R532-V544 CarbonylContact O-C 3.51Å; R532-V544 WeakPolarHBondContact O-CA 3.12Å; I533-V544 HydrophobicContact CG1-CG2 4.41Å; V544-T550 CarbonylContact O-C 3.59Å; V544-T550 WeakPolarHBondContact O-CA 3.17Å; V544-T551 PolarHBondContact N-O 2.78Å; V544-T551 PolarHBondContact O-N 3.19Å; V544-V553 HydrophobicContact CG2-CG2 3.91Å
545	T	97.2	Very high	94.6	Very high	45 Å²	45	39.6 Å²	39.6	28%	0.276	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	113.2	175.6	-56.4	0	0	0	0	110.2	A531 R532 W549 T550	A531-T545 CarbonylContact C-O 3.55Å; A531-T545 VanDerWaalsContact CA-O 3.31Å; A531-T545 WeakPolarHBondContact CA-O 3.46Å; R532-T545 PolarHBondContact N-O 2.93Å; R532-T545 PolarHBondContact O-N 3.45Å; T545-W549 CarbonylContact C-O 3.47Å; T545-W549 VanDerWaalsContact CA-O 3.24Å; T545-W549 WeakPolarHBondContact CA-O 3.4Å; T545-T550 PolarHBondContact OG1-OG1 2.95Å
546	H	93	Very high	94.6	Very high	7 Å²	7	35.6 Å²	35.6	3%	0.032	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	122.5	-179.9	177.2	-110	0	0	0	110	R505 A531 G548 W549	R505-H546 PolarHBondContact NH1-O 2.78Å; A531-H546 HydrophobicContact CB-CB 4.32Å; H546-G548 VanDerWaalsContact C-N 3.29Å; H546-G548 PolarHBondContact O-N 2.67Å; H546-W549 PolarHBondContact N-O 3.2Å; H546-W549 PolarHBondContact O-N 3.25Å; H546-W549 VanDerWaalsContact O-N 3.17Å
547	E	87.2	Confident	94.7	Very high	98 Å²	98	36.4 Å²	36.4	46%	0.458	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	43.3	-178.6	-63.1	175.6	164.4	0	0	113.4	R505 W549	R505-E547 IonicContact CZ-OE2 3.52Å; R505-E547 IonicContact NH2-OE2 2.7Å; R505-E547 PolarHBondContact NH2-OE2 2.91Å; E547-W549 PolarHBondContact O-N 3.18Å
548	G	88.2	Confident	94.9	Very high	74 Å²	74	33.1 Å²	33.1	76%	0.763	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.9	-1.9	177.5	0	0	0	0	0	115.6	H546	H546-G548 VanDerWaalsContact C-N 3.29Å; H546-G548 PolarHBondContact O-N 2.67Å
549	W	91.9	Very high	95.1	Very high	51 Å²	51	27.5 Å²	27.5	19%	0.193	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	136.9	172.1	-171.3	-88.5	0	0	0	110.3	Q466 T504 R505 F506 T545 H546 E547	Q466-W549 HydrophobicContact CB-CH2 4.49Å; Q466-W549 VanDerWaalsContact CD-CZ2 3.48Å; Q466-W549 HydrophobicContact CG-CH2 3.77Å; Q466-W549 HydrophobicContact CG-CZ2 3.82Å; Q466-W549 HydrophobicContact CG-CZ3 4.29Å; T504-W549 VanDerWaalsContact O-CD1 3.24Å; R505-W549 VanDerWaalsContact NH1-CB 3.34Å; F506-W549 PolarHBondContact O-NE1 3.03Å; T545-W549 CarbonylContact C-O 3.47Å; T545-W549 VanDerWaalsContact CA-O 3.24Å; T545-W549 WeakPolarHBondContact CA-O 3.4Å; H546-W549 PolarHBondContact N-O 3.2Å; H546-W549 PolarHBondContact O-N 3.25Å; H546-W549 VanDerWaalsContact O-N 3.17Å; E547-W549 PolarHBondContact O-N 3.18Å
550	T	95.5	Very high	95.1	Very high	30 Å²	30	26 Å²	26	18%	0.184	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	137.5	175.8	-55.2	0	0	0	0	110.2	Q543 V544 T545 H802	Q543-T550 HydrophobicContact CB-CG2 4.15Å; V544-T550 CarbonylContact O-C 3.59Å; V544-T550 WeakPolarHBondContact O-CA 3.17Å; T545-T550 PolarHBondContact OG1-OG1 2.95Å; T550-H802 HydrophobicContact CG2-CB 3.76Å; T550-H802 VanDerWaalsContact CG2-CG 3.5Å; T550-H802 PolarHBondContact O-CE1 3.07Å; T550-H802 PolarHBondContact O-NE2 3.29Å
551	T	97.4	Very high	94.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	130	175.6	-61.8	0	0	0	0	109	T504 F506 V509 V544 V553	T504-T551 PolarHBondContact O-OG1 3.19Å; F506-T551 VanDerWaalsContact O-CB 3.3Å; F506-T551 WeakPolarHBondContact O-CB 3.45Å; F506-T551 VanDerWaalsContact O-CG2 3.23Å; F506-T551 WeakPolarHBondContact O-CG2 3.32Å; F506-T551 PolarHBondContact O-OG1 3.18Å; V509-T551 HydrophobicContact CB-CG2 4.28Å; V509-T551 HydrophobicContact CG2-CG2 3.58Å; V544-T551 PolarHBondContact N-O 2.78Å; V544-T551 PolarHBondContact O-N 3.19Å; T551-V553 HydrophobicContact CG2-CG2 4.28Å
552	S	98.4	Very high	94.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	135.9	170	-65.4	0	0	0	0	110.8	T507 K508 V509 Y542 T801 H802	T507-S552 PolarHBondContact O-N 3.48Å; K508-S552 CarbonylContact C-O 3.6Å; K508-S552 VanDerWaalsContact CA-O 3.31Å; K508-S552 WeakPolarHBondContact CA-O 3.43Å; V509-S552 PolarHBondContact N-O 3.15Å; Y542-S552 CarbonylContact O-C 3.36Å; Y542-S552 WeakPolarHBondContact O-CA 3.4Å; S552-T801 WeakPolarHBondContact OG-CA 3.4Å; S552-H802 WeakPolarHBondContact OG-CB 3.28Å; S552-H802 PolarHBondContact OG-N 3.31Å; S552-H802 PolarHBondContact OG-ND1 3.3Å
553	V	98.6	Very high	94.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	116.5	-176.7	-165.1	0	0	0	0	110.3	V509 F511 R517 F520 S541 Y542 V544 T551	V509-V553 HydrophobicContact CB-CG1 4.39Å; V509-V553 HydrophobicContact CG1-CG1 4.44Å; V509-V553 WeakPolarHBondContact O-CA 3.4Å; F511-V553 HydrophobicContact CD2-CG1 3.81Å; F511-V553 HydrophobicContact CE2-CG1 3.52Å; R517-V553 HydrophobicContact CG-CG1 3.9Å; F520-V553 HydrophobicContact CD1-CG1 4.07Å; F520-V553 HydrophobicContact CE1-CG1 4.27Å; F520-V553 HydrophobicContact CE1-CG2 4.02Å; S541-V553 CarbonylContact C-O 3.38Å; S541-V553 VanDerWaalsContact CA-O 3.28Å; S541-V553 WeakPolarHBondContact CA-O 3.49Å; S541-V553 WeakPolarHBondContact CB-O 3.46Å; Y542-V553 PolarHBondContact N-O 2.93Å; Y542-V553 PolarHBondContact O-N 3.47Å; V544-V553 HydrophobicContact CG2-CG2 3.91Å; T551-V553 HydrophobicContact CG2-CG2 4.28Å
554	G	97.9	Very high	94.1	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	172.6	-174	0	0	0	0	0	114.3	V509 F511	V509-G554 PolarHBondContact O-N 3.45Å; F511-G554 PolarHBondContact N-O 3.24Å
555	V	97.6	Very high	93.9	Very high	21 Å²	21	30.8 Å²	30.8	13%	0.127	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	123.8	176.3	-175.4	0	0	0	0	109.6	F511 Q512 R517 P557	F511-V555 CarbonylContact O-C 3.42Å; F511-V555 WeakPolarHBondContact O-CA 3.44Å; Q512-V555 WeakPolarHBondContact O-CG1 3.43Å; R517-V555 HydrophobicContact CB-CG2 3.93Å; R517-V555 HydrophobicContact CG-CG2 4.39Å; V555-P557 HydrophobicContact CG1-CG 4.32Å
556	F	96.2	Very high	93.9	Very high	25 Å²	25	31.2 Å²	31.2	11%	0.11	17%	0.172	C	C	.	.			trans	-138	91.9	179.2	-48.6	-91.5	0	0	0	108.5	F477 F511 Q512 V558 W791 S794 F795 W800	F477-F556 HydrophobicContact CE2-CB 3.98Å; F477-F556 HydrophobicContact CE2-CD2 4.32Å; F477-F556 HydrophobicContact CZ-CB 4.47Å; F477-F556 WeakPolarHBondContact CZ-O 3.43Å; F511-F556 PolarHBondContact O-N 3.5Å; Q512-F556 PolarHBondContact OE1-O 3.07Å; F556-V558 PolarHBondContact O-N 2.86Å; F556-W791 PolarHBondContact O-NE1 3.34Å; F556-S794 VanDerWaalsContact CE1-O 3.3Å; F556-S794 WeakPolarHBondContact CE1-O 3.49Å; F556-F795 HydrophobicContact CD1-CB 4.2Å; F556-F795 HydrophobicContact CD2-CB 4.38Å; F556-F795 AromaticContact CD2-CD2 3.71Å; F556-F795 HydrophobicContact CD2-CD2 3.71Å; F556-F795 AromaticContact CE2-CD2 3.79Å; F556-F795 HydrophobicContact CE2-CD2 3.79Å; F556-F795 HydrophobicContact CG-CB 4.12Å; F556-F795 HydrophobicContact CG-CD2 4.3Å; F556-F795 HydrophobicContact CZ-CD2 4.44Å; F556-W800 AromaticContact CE2-CH2 3.66Å; F556-W800 HydrophobicContact CE2-CH2 3.66Å; F556-W800 AromaticContact CE2-CZ2 3.56Å; F556-W800 HydrophobicContact CE2-CZ2 3.56Å; F556-W800 HydrophobicContact CE2-CZ3 4.24Å; F556-W800 AromaticContact CZ-CD2 3.77Å; F556-W800 HydrophobicContact CZ-CD2 3.77Å; F556-W800 AromaticContact CZ-CE2 3.4Å; F556-W800 VanDerWaalsContact CZ-CE2 3.4Å; F556-W800 HydrophobicContact CZ-CE3 4.19Å; F556-W800 HydrophobicContact CZ-CG 4.27Å; F556-W800 AromaticContact CZ-CH2 3.87Å; F556-W800 HydrophobicContact CZ-CH2 3.87Å; F556-W800 AromaticContact CZ-CZ2 3.46Å; F556-W800 HydrophobicContact CZ-CZ2 3.46Å; F556-W800 VanDerWaalsContact CZ-CZ2 3.46Å; F556-W800 HydrophobicContact CZ-CZ3 4.24Å; F556-W800 AromaticContact CZ-NE1 3.76Å
557	P	95.6	Very high	94.1	Very high	37 Å²	37	33.8 Å²	33.8	24%	0.24	19%	0.194	C	C	.	.			trans	-67	117	-178.3	-16.5	29.8	0	0	0	110.4	V555 M704 Q731	V555-P557 HydrophobicContact CG1-CG 4.32Å; P557-M704 HydrophobicContact CB-CE 3.46Å; P557-M704 VanDerWaalsContact CB-CE 3.46Å; P557-M704 HydrophobicContact CB-SD 3.78Å; P557-Q731 HydrophobicContact CB-CB 4.46Å; P557-Q731 HydrophobicContact CB-CG 4.23Å; P557-Q731 HydrophobicContact CG-CG 4.24Å
558	V	93.8	Very high	94.5	Very high	6 Å²	6	30.6 Å²	30.6	4%	0.036	18%	0.18	C	C	.	.			trans	-66.3	151.9	178.2	71.3	0	0	0	0	110.7	C288 F556 M704 L706 K709 W791	C288-V558 HydrophobicContact CB-CG2 3.66Å; F556-V558 PolarHBondContact O-N 2.86Å; V558-M704 HydrophobicContact CG1-CB 3.72Å; V558-M704 HydrophobicContact CG1-CG 3.63Å; V558-M704 WeakPolarHBondContact O-CE 3.33Å; V558-M704 WeakPolarHBondContact O-CG 3.07Å; V558-L706 HydrophobicContact CG1-CD2 3.89Å; V558-K709 PolarHBondContact O-NZ 3.16Å; V558-W791 VanDerWaalsContact CA-CD1 3.47Å; V558-W791 HydrophobicContact CB-CD2 4.14Å; V558-W791 HydrophobicContact CB-CG 4.05Å; V558-W791 HydrophobicContact CG2-CD2 3.75Å; V558-W791 HydrophobicContact CG2-CE3 4.08Å; V558-W791 HydrophobicContact CG2-CG 4.02Å; V558-W791 HydrophobicContact CG2-CZ2 4.44Å
559	S	91.7	Very high	94.9	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.014	15%	0.147	C	C	.	.			trans	-131.2	-173.8	178.5	-141.3	0	0	0	0	111.7	K709 N786 D787 I788	S559-K709 PolarHBondContact OG-NZ 2.74Å; S559-N786 WeakPolarHBondContact CB-O 3.28Å; S559-N786 PolarHBondContact OG-O 3.3Å; S559-D787 VanDerWaalsContact CB-C 3.44Å; S559-D787 WeakPolarHBondContact CB-O 3.44Å; S559-I788 VanDerWaalsContact O-CD1 3.25Å; S559-I788 WeakPolarHBondContact O-CD1 3.49Å; S559-I788 WeakPolarHBondContact O-CG1 3.4Å
560	I	91.6	Very high	95.1	Very high	5 Å²	5	29.5 Å²	29.5	3%	0.026	17%	0.165	C	C	.	.			trans	-105.4	163.7	-179.4	64.2	176.3	0	0	0	111.2	N562 F565 L706 K709 E710 I713 I788	I560-N562 WeakPolarHBondContact CG1-OD1 3.14Å; I560-N562 PolarHBondContact O-N 3.46Å; I560-N562 VanDerWaalsContact O-N 3.16Å; I560-N562 PolarHBondContact O-OD1 2.74Å; I560-F565 HydrophobicContact CB-CD2 4.4Å; I560-F565 HydrophobicContact CB-CE2 4.16Å; I560-F565 HydrophobicContact CD1-CD2 3.95Å; I560-F565 HydrophobicContact CD1-CE2 4.25Å; I560-F565 HydrophobicContact CD1-CG 4.38Å; I560-F565 HydrophobicContact CG1-CD2 4.47Å; I560-L706 HydrophobicContact CG2-CB 3.93Å; I560-L706 HydrophobicContact CG2-CD1 4.29Å; I560-L706 HydrophobicContact CG2-CD2 3.94Å; I560-L706 HydrophobicContact CG2-CG 4.27Å; I560-K709 HydrophobicContact CD1-CB 4.09Å; I560-K709 HydrophobicContact CG1-CB 4.37Å; I560-K709 HydrophobicContact CG2-CB 4.41Å; I560-E710 HydrophobicContact CD1-CB 4.25Å; I560-E710 HydrophobicContact CD1-CG 3.81Å; I560-E710 HydrophobicContact CG2-CG 3.86Å; I560-I713 HydrophobicContact CD1-CB 4.13Å; I560-I713 HydrophobicContact CD1-CG1 3.99Å; I560-I788 PolarHBondContact O-N 3.28Å
561	K	90.6	Very high	95.2	Very high	56 Å²	56	30.1 Å²	30.1	24%	0.243	17%	0.167	C	C	.	.			trans	-80.9	89.6	173.1	-168.1	167.4	173.9	-166.6	0	109.3	E290 E563 E564 F565 I788	E290-K561 IonicContact OE2-NZ 2.73Å; E290-K561 PolarHBondContact OE2-NZ 3.1Å; K561-E563 VanDerWaalsContact C-N 3.29Å; K561-E563 PolarHBondContact O-N 2.78Å; K561-E564 HydrophobicContact CD-CG 3.93Å; K561-E564 VanDerWaalsContact CD-OE1 3.26Å; K561-E564 WeakPolarHBondContact CD-OE1 3.45Å; K561-E564 WeakPolarHBondContact CE-OE1 3.38Å; K561-E564 HydrophobicContact CG-CG 4.03Å; K561-E564 IonicContact NZ-OE1 3.17Å; K561-E564 PolarHBondContact NZ-OE1 3.01Å; K561-E564 PolarHBondContact O-N 2.89Å; K561-F565 WeakPolarHBondContact O-CD2 3.36Å; K561-I788 HydrophobicContact CB-CG2 4.22Å
562	N	93.1	Very high	95.2	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-55.7	-41.5	-168.5	-69.5	-19.9	0	0	0	112.4	I560 E564 F565 L566 L783	I560-N562 WeakPolarHBondContact CG1-OD1 3.14Å; I560-N562 PolarHBondContact O-N 3.46Å; I560-N562 VanDerWaalsContact O-N 3.16Å; I560-N562 PolarHBondContact O-OD1 2.74Å; N562-E564 VanDerWaalsContact C-N 3.31Å; N562-E564 PolarHBondContact O-N 2.85Å; N562-F565 PolarHBondContact O-N 3.17Å; N562-L566 HydrophobicContact CB-CD1 4.5Å; N562-L566 WeakPolarHBondContact O-CB 3.07Å; N562-L566 VanDerWaalsContact O-CG 3.3Å; N562-L566 WeakPolarHBondContact O-CG 3.32Å; N562-L566 PolarHBondContact O-N 2.7Å; N562-L783 PolarHBondContact ND2-O 2.95Å
563	E	91.9	Very high	95.2	Very high	115 Å²	115	39.2 Å²	39.2	54%	0.537	22%	0.217	S	C	.	.	H	α-helix	trans	-61.3	-38.6	-175.5	-58.5	76.3	-160.3	0	0	112.3	K561 A567	K561-E563 VanDerWaalsContact C-N 3.29Å; K561-E563 PolarHBondContact O-N 2.78Å; E563-A567 VanDerWaalsContact O-CB 3.25Å; E563-A567 WeakPolarHBondContact O-CB 3.33Å; E563-A567 PolarHBondContact O-N 2.87Å
564	E	91	Very high	95.2	Very high	56 Å²	56	39.3 Å²	39.3	26%	0.262	22%	0.218	S	C	.	.	H	α-helix	trans	-66.8	-40.9	179.8	-71.2	-173.1	-177.3	0	0	112	K561 N562 L568 R682	K561-E564 HydrophobicContact CD-CG 3.93Å; K561-E564 VanDerWaalsContact CD-OE1 3.26Å; K561-E564 WeakPolarHBondContact CD-OE1 3.45Å; K561-E564 WeakPolarHBondContact CE-OE1 3.38Å; K561-E564 HydrophobicContact CG-CG 4.03Å; K561-E564 IonicContact NZ-OE1 3.17Å; K561-E564 PolarHBondContact NZ-OE1 3.01Å; K561-E564 PolarHBondContact O-N 2.89Å; N562-E564 VanDerWaalsContact C-N 3.31Å; N562-E564 PolarHBondContact O-N 2.85Å; E564-L568 WeakPolarHBondContact O-CG 3.44Å; E564-L568 PolarHBondContact O-N 3.36Å; E564-L568 VanDerWaalsContact O-N 3.14Å; E564-R682 IonicContact OE2-CZ 3.01Å; E564-R682 VanDerWaalsContact OE2-CZ 3.26Å; E564-R682 IonicContact OE2-NH1 3.35Å; E564-R682 PolarHBondContact OE2-NH1 2.82Å; E564-R682 IonicContact OE2-NH2 2.69Å; E564-R682 PolarHBondContact OE2-NH2 2.92Å
565	F	94.4	Very high	95.2	Very high	13 Å²	13	43.1 Å²	43.1	6%	0.057	24%	0.235	C	C	.	.	H	α-helix	trans	-71.6	-40	178.5	-77.6	-83.3	0	0	0	111.5	I560 K561 N562 L568 A569 V686 Y689 E710 I713	I560-F565 HydrophobicContact CB-CD2 4.4Å; I560-F565 HydrophobicContact CB-CE2 4.16Å; I560-F565 HydrophobicContact CD1-CD2 3.95Å; I560-F565 HydrophobicContact CD1-CE2 4.25Å; I560-F565 HydrophobicContact CD1-CG 4.38Å; I560-F565 HydrophobicContact CG1-CD2 4.47Å; K561-F565 WeakPolarHBondContact O-CD2 3.36Å; N562-F565 PolarHBondContact O-N 3.17Å; F565-L568 PolarHBondContact O-N 3.41Å; F565-A569 VanDerWaalsContact O-CB 3.29Å; F565-A569 WeakPolarHBondContact O-CB 3.42Å; F565-A569 PolarHBondContact O-N 3.46Å; F565-V686 HydrophobicContact CD1-CG2 4.09Å; F565-V686 HydrophobicContact CE1-CG2 4.46Å; F565-Y689 HydrophobicContact CE1-CE2 4.43Å; F565-E710 HydrophobicContact CD1-CB 4.28Å; F565-E710 HydrophobicContact CD1-CG 4.39Å; F565-E710 HydrophobicContact CE1-CB 3.9Å; F565-E710 HydrophobicContact CE1-CG 3.71Å; F565-E710 HydrophobicContact CE2-CG 4.05Å; F565-E710 HydrophobicContact CZ-CB 4.23Å; F565-E710 VanDerWaalsContact CZ-CD 3.47Å; F565-E710 HydrophobicContact CZ-CG 3.51Å; F565-I713 HydrophobicContact CB-CG2 4Å
566	L	96.3	Very high	95.2	Very high	55 Å²	55	46.4 Å²	46.4	29%	0.288	25%	0.252	S	S	.	.	H	α-helix	trans	-64.7	-39.5	174.8	-69.5	169.7	0	0	0	112	N562 A569 T570 I713 L784	N562-L566 HydrophobicContact CB-CD1 4.5Å; N562-L566 WeakPolarHBondContact O-CB 3.07Å; N562-L566 VanDerWaalsContact O-CG 3.3Å; N562-L566 WeakPolarHBondContact O-CG 3.32Å; N562-L566 PolarHBondContact O-N 2.7Å; L566-A569 PolarHBondContact O-N 3.13Å; L566-T570 WeakPolarHBondContact O-CB 3.3Å; L566-T570 WeakPolarHBondContact O-CG2 3.45Å; L566-T570 PolarHBondContact O-N 3.18Å; L566-T570 PolarHBondContact O-OG1 3.14Å; L566-I713 HydrophobicContact CD2-CG2 3.97Å; L566-I713 HydrophobicContact CG-CG2 3.92Å; L566-L784 HydrophobicContact CD1-CD2 4.05Å
567	A	96.4	Very high	95.2	Very high	61 Å²	61	48.6 Å²	48.6	50%	0.504	26%	0.261	S	S	.	.	H	α-helix	trans	-61.7	-43.2	174.7	0	0	0	0	0	111.6	E563 T570 D571	E563-A567 VanDerWaalsContact O-CB 3.25Å; E563-A567 WeakPolarHBondContact O-CB 3.33Å; E563-A567 PolarHBondContact O-N 2.87Å; A567-T570 PolarHBondContact O-N 3.2Å; A567-T570 PolarHBondContact O-OG1 3.27Å; A567-D571 PolarHBondContact O-N 3.28Å
568	L	96.4	Very high	95.3	Very high	30 Å²	30	47.1 Å²	47.1	16%	0.157	25%	0.253	C	S	.	.	H	α-helix	trans	-68.3	-38	174.7	-70.3	173.9	0	0	0	112.5	E564 F565 T570 D571 V574 R682 K683 V686	E564-L568 WeakPolarHBondContact O-CG 3.44Å; E564-L568 PolarHBondContact O-N 3.36Å; E564-L568 VanDerWaalsContact O-N 3.14Å; F565-L568 PolarHBondContact O-N 3.41Å; L568-T570 VanDerWaalsContact C-N 3.26Å; L568-T570 PolarHBondContact O-N 3.09Å; L568-D571 WeakPolarHBondContact O-CB 3.48Å; L568-D571 PolarHBondContact O-N 3.05Å; L568-V574 VanDerWaalsContact O-CB 3.29Å; L568-V574 WeakPolarHBondContact O-CB 3.38Å; L568-V574 WeakPolarHBondContact O-CG1 3.25Å; L568-R682 HydrophobicContact CD1-CG 3.96Å; L568-K683 HydrophobicContact CD2-CG 3.91Å; L568-V686 HydrophobicContact CB-CB 4.24Å; L568-V686 HydrophobicContact CB-CG1 3.97Å; L568-V686 HydrophobicContact CB-CG2 4Å; L568-V686 HydrophobicContact CD1-CG2 3.93Å
569	A	96.6	Very high	95.5	Very high	8 Å²	8	52.8 Å²	52.8	7%	0.066	28%	0.277	C	S	.	.	H	α-helix	trans	-68	-27.1	179.4	0	0	0	0	0	112.9	F565 L566 Q575 V686 L690 C714	F565-A569 VanDerWaalsContact O-CB 3.29Å; F565-A569 WeakPolarHBondContact O-CB 3.42Å; F565-A569 PolarHBondContact O-N 3.46Å; L566-A569 PolarHBondContact O-N 3.13Å; A569-Q575 WeakPolarHBondContact O-CG 3.45Å; A569-Q575 PolarHBondContact O-NE2 2.89Å; A569-Q575 VanDerWaalsContact O-NE2 3.11Å; A569-V686 HydrophobicContact CB-CG1 4.25Å; A569-L690 HydrophobicContact CB-CD2 4.2Å; A569-C714 HydrophobicContact CB-CB 4.21Å
570	T	96.8	Very high	95.7	Very high	94 Å²	94	57.8 Å²	57.8	58%	0.577	30%	0.3	S	S	*	.	H	α-helix	trans	-91.7	-9.4	178	53.2	0	0	0	0	113.8	L566 A567 L568 P572	L566-T570 WeakPolarHBondContact O-CB 3.3Å; L566-T570 WeakPolarHBondContact O-CG2 3.45Å; L566-T570 PolarHBondContact O-N 3.18Å; L566-T570 PolarHBondContact O-OG1 3.14Å; A567-T570 PolarHBondContact O-N 3.2Å; A567-T570 PolarHBondContact O-OG1 3.27Å; L568-T570 VanDerWaalsContact C-N 3.26Å; L568-T570 PolarHBondContact O-N 3.09Å; T570-P572 WeakPolarHBondContact O-CD 3.28Å
571	D	97.7	Very high	96	Very high	44 Å²	44	58 Å²	58	24%	0.235	30%	0.301	C	S	.	.			trans	-64.7	121.6	176.9	-175.2	-18.6	0	0	0	110.9	A567 L568 E573 V574 Q575 K683	A567-D571 PolarHBondContact O-N 3.28Å; L568-D571 WeakPolarHBondContact O-CB 3.48Å; L568-D571 PolarHBondContact O-N 3.05Å; D571-E573 PolarHBondContact O-N 3.21Å; D571-E573 WeakPolarHBondContact OD1-CB 3.49Å; D571-E573 PolarHBondContact OD1-N 3.48Å; D571-V574 HydrophobicContact CB-CB 4.12Å; D571-V574 HydrophobicContact CB-CG2 3.84Å; D571-V574 PolarHBondContact O-N 3.06Å; D571-V574 VanDerWaalsContact O-N 3.09Å; D571-Q575 WeakPolarHBondContact O-CG 3.37Å; D571-Q575 PolarHBondContact O-N 3.43Å; D571-K683 IonicContact OD2-NZ 3.37Å
572	P	97.5	Very high	96.1	Very high	86 Å²	86	58.8 Å²	58.8	56%	0.558	30%	0.303	S	S	*	.	H	α-helix	trans	-55.9	-33.4	178	-26.2	35.1	0	0	0	114.4	T570 N576	T570-P572 WeakPolarHBondContact O-CD 3.28Å; P572-N576 WeakPolarHBondContact O-CB 2.95Å; P572-N576 PolarHBondContact O-N 3.45Å; P572-N576 PolarHBondContact O-ND2 3.32Å; P572-N576 VanDerWaalsContact O-ND2 3.12Å
573	E	97.3	Very high	96.2	Very high	104 Å²	104	63.2 Å²	63.2	49%	0.486	33%	0.326	S	S	.	.	H	α-helix	trans	-63	-46.9	176.8	-172.3	-170	179.3	0	0	110.4	D571 N576 K577 K683	D571-E573 PolarHBondContact O-N 3.21Å; D571-E573 WeakPolarHBondContact OD1-CB 3.49Å; D571-E573 PolarHBondContact OD1-N 3.48Å; E573-N576 PolarHBondContact O-N 2.9Å; E573-K577 WeakPolarHBondContact O-CB 3.45Å; E573-K577 PolarHBondContact O-N 2.77Å; E573-K683 IonicContact OE2-NZ 3.54Å; E573-K683 PolarHBondContact OE2-NZ 2.7Å
574	V	97.8	Very high	96.3	Very high	3 Å²	3	62 Å²	62	2%	0.018	33%	0.327	C	S	.	.	H	α-helix	trans	-67.1	-41.3	-179.6	179.4	0	0	0	0	110.8	L568 D571 K577 A578 K683 V686 A687 L690	L568-V574 VanDerWaalsContact O-CB 3.29Å; L568-V574 WeakPolarHBondContact O-CB 3.38Å; L568-V574 WeakPolarHBondContact O-CG1 3.25Å; D571-V574 HydrophobicContact CB-CB 4.12Å; D571-V574 HydrophobicContact CB-CG2 3.84Å; D571-V574 PolarHBondContact O-N 3.06Å; D571-V574 VanDerWaalsContact O-N 3.09Å; V574-K577 PolarHBondContact O-N 3.46Å; V574-A578 PolarHBondContact O-N 3.28Å; V574-K683 HydrophobicContact CG2-CB 4.16Å; V574-K683 HydrophobicContact CG2-CG 4.19Å; V574-V686 HydrophobicContact CG1-CB 4.16Å; V574-V686 HydrophobicContact CG1-CG1 3.91Å; V574-A687 HydrophobicContact CG1-CB 3.97Å; V574-L690 HydrophobicContact CG1-CD1 4.02Å
575	Q	97.9	Very high	96.5	Very high	81 Å²	81	62.7 Å²	62.7	38%	0.379	33%	0.328	S	S	.	.	H	α-helix	trans	-64.9	-39.4	175.8	-69.6	-177.3	-4	0	0	112.9	A569 D571 A578 K579 L690	A569-Q575 WeakPolarHBondContact O-CG 3.45Å; A569-Q575 PolarHBondContact O-NE2 2.89Å; A569-Q575 VanDerWaalsContact O-NE2 3.11Å; D571-Q575 WeakPolarHBondContact O-CG 3.37Å; D571-Q575 PolarHBondContact O-N 3.43Å; Q575-A578 WeakPolarHBondContact O-CB 3.25Å; Q575-A578 PolarHBondContact O-N 3.09Å; Q575-K579 WeakPolarHBondContact O-CG 3.34Å; Q575-K579 PolarHBondContact O-N 2.81Å; Q575-L690 HydrophobicContact CG-CD1 4.08Å
576	N	97.8	Very high	96.4	Very high	90 Å²	90	62.2 Å²	62.2	48%	0.481	33%	0.326	S	S	.	.	H	α-helix	trans	-66.6	-40.6	174.6	-73.1	-27.5	0	0	0	111	P572 E573 A578 K579 E580	P572-N576 WeakPolarHBondContact O-CB 2.95Å; P572-N576 PolarHBondContact O-N 3.45Å; P572-N576 PolarHBondContact O-ND2 3.32Å; P572-N576 VanDerWaalsContact O-ND2 3.12Å; E573-N576 PolarHBondContact O-N 2.9Å; N576-A578 VanDerWaalsContact C-N 3.32Å; N576-A578 PolarHBondContact O-N 3.17Å; N576-K579 WeakPolarHBondContact O-CB 3.46Å; N576-K579 PolarHBondContact O-N 3.06Å; N576-E580 PolarHBondContact O-N 3.44Å
577	K	97.8	Very high	96	Very high	70 Å²	70	60.7 Å²	60.7	30%	0.304	32%	0.323	S	S	.	.	H	α-helix	trans	-62.9	-39.1	174.7	-167.4	70.8	-164.1	165.1	0	112.3	E573 V574 K579 E580 I581 Y684 A687	E573-K577 WeakPolarHBondContact O-CB 3.45Å; E573-K577 PolarHBondContact O-N 2.77Å; V574-K577 PolarHBondContact O-N 3.46Å; K577-K579 VanDerWaalsContact C-N 3.31Å; K577-K579 PolarHBondContact O-N 2.66Å; K577-E580 WeakPolarHBondContact CD-OE2 3.48Å; K577-E580 IonicContact NZ-OE2 3.58Å; K577-E580 PolarHBondContact NZ-OE2 2.69Å; K577-E580 WeakPolarHBondContact O-CB 3.28Å; K577-E580 PolarHBondContact O-N 2.67Å; K577-I581 HydrophobicContact CG-CD1 4Å; K577-I581 HydrophobicContact CG-CG1 4.49Å; K577-I581 WeakPolarHBondContact O-CD1 3.37Å; K577-I581 VanDerWaalsContact O-CG1 3.29Å; K577-I581 WeakPolarHBondContact O-CG1 3.24Å; K577-I581 PolarHBondContact O-N 3.34Å; K577-Y684 HydrophobicContact CD-CE1 4.4Å; K577-Y684 HydrophobicContact CG-CD1 4.13Å; K577-Y684 HydrophobicContact CG-CE1 4.29Å; K577-A687 HydrophobicContact CB-CB 3.93Å; K577-A687 HydrophobicContact CG-CB 3.96Å
578	A	97.6	Very high	95.3	Very high	7 Å²	7	65.6 Å²	65.6	6%	0.058	34%	0.341	C	S	.	.	H	α-helix	trans	-59	-42.8	175	0	0	0	0	0	111.9	V574 Q575 N576 I581 R582 A687 L690 A691	V574-A578 PolarHBondContact O-N 3.28Å; Q575-A578 WeakPolarHBondContact O-CB 3.25Å; Q575-A578 PolarHBondContact O-N 3.09Å; N576-A578 VanDerWaalsContact C-N 3.32Å; N576-A578 PolarHBondContact O-N 3.17Å; A578-I581 PolarHBondContact O-N 3.07Å; A578-R582 WeakPolarHBondContact O-CB 3.43Å; A578-R582 PolarHBondContact O-N 2.98Å; A578-A687 WeakPolarHBondContact CA-O 3.4Å; A578-A687 HydrophobicContact CB-CB 4.42Å; A578-A687 WeakPolarHBondContact CB-O 3.41Å; A578-L690 HydrophobicContact CB-CB 3.61Å; A578-L690 HydrophobicContact CB-CD1 4.33Å; A578-A691 HydrophobicContact CB-CB 4.32Å; A578-A691 WeakPolarHBondContact O-CB 3.48Å
579	K	96.8	Very high	94.6	Very high	124 Å²	124	66 Å²	66	54%	0.539	35%	0.346	S	S	.	.	H	α-helix	trans	-63.4	-42.4	174.6	-66.3	169.5	-171.5	165.8	0	112	Q575 N576 K577 R582 N583	Q575-K579 WeakPolarHBondContact O-CG 3.34Å; Q575-K579 PolarHBondContact O-N 2.81Å; N576-K579 WeakPolarHBondContact O-CB 3.46Å; N576-K579 PolarHBondContact O-N 3.06Å; K577-K579 VanDerWaalsContact C-N 3.31Å; K577-K579 PolarHBondContact O-N 2.66Å; K579-R582 PolarHBondContact O-N 3.07Å; K579-N583 WeakPolarHBondContact O-CB 3.44Å; K579-N583 PolarHBondContact O-N 2.95Å; K579-N583 PolarHBondContact O-ND2 2.98Å
580	E	97.1	Very high	93.9	Very high	107 Å²	107	71.3 Å²	71.3	50%	0.5	38%	0.383	S	S	.	.	H	α-helix	trans	-60.8	-46.9	174.7	-80	-172.7	165.5	0	0	112.4	N576 K577 R582 N583 T584	N576-E580 PolarHBondContact O-N 3.44Å; K577-E580 WeakPolarHBondContact CD-OE2 3.48Å; K577-E580 IonicContact NZ-OE2 3.58Å; K577-E580 PolarHBondContact NZ-OE2 2.69Å; K577-E580 WeakPolarHBondContact O-CB 3.28Å; K577-E580 PolarHBondContact O-N 2.67Å; E580-R582 VanDerWaalsContact C-N 3.34Å; E580-R582 PolarHBondContact O-N 2.91Å; E580-N583 PolarHBondContact O-N 2.83Å; E580-T584 WeakPolarHBondContact O-CB 3.47Å; E580-T584 PolarHBondContact O-N 3.19Å; E580-T584 PolarHBondContact O-OG1 3Å
581	I	96.5	Very high	93.6	Very high	10 Å²	10	73.9 Å²	73.9	5%	0.051	39%	0.386	C	S	.	.	H	α-helix	trans	-58	-49.7	178.2	-69.7	159.3	0	0	0	109.4	K577 A578 N583 T584 Y585 F594 A687 H688 A691	K577-I581 HydrophobicContact CG-CD1 4Å; K577-I581 HydrophobicContact CG-CG1 4.49Å; K577-I581 WeakPolarHBondContact O-CD1 3.37Å; K577-I581 VanDerWaalsContact O-CG1 3.29Å; K577-I581 WeakPolarHBondContact O-CG1 3.24Å; K577-I581 PolarHBondContact O-N 3.34Å; A578-I581 PolarHBondContact O-N 3.07Å; I581-N583 PolarHBondContact O-N 2.81Å; I581-T584 PolarHBondContact O-N 2.93Å; I581-Y585 HydrophobicContact CG2-CD2 3.96Å; I581-Y585 HydrophobicContact CG2-CE2 4.21Å; I581-Y585 VanDerWaalsContact O-CD2 3.28Å; I581-Y585 WeakPolarHBondContact O-CD2 3.1Å; I581-Y585 PolarHBondContact O-N 3.26Å; I581-Y585 VanDerWaalsContact O-N 3.09Å; I581-F594 HydrophobicContact CG2-CE2 4.26Å; I581-F594 HydrophobicContact CG2-CZ 3.91Å; I581-A687 HydrophobicContact CD1-CB 3.72Å; I581-H688 VanDerWaalsContact CD1-CE1 3.45Å; I581-H688 WeakPolarHBondContact CD1-CE1 3.34Å; I581-H688 WeakPolarHBondContact CD1-ND1 3.31Å; I581-A691 HydrophobicContact CB-CB 4.21Å; I581-A691 HydrophobicContact CG2-CB 3.95Å
582	R	94.5	Very high	93.3	Very high	73 Å²	73	71.9 Å²	71.9	28%	0.275	38%	0.376	S	S	.	.	H	α-helix	trans	-60.1	-46.3	178.3	-171.2	175.7	-174.7	80.6	0.4	112	A578 K579 E580 T584 Y585 I586 G587 A691 D693	A578-R582 WeakPolarHBondContact O-CB 3.43Å; A578-R582 PolarHBondContact O-N 2.98Å; K579-R582 PolarHBondContact O-N 3.07Å; E580-R582 VanDerWaalsContact C-N 3.34Å; E580-R582 PolarHBondContact O-N 2.91Å; R582-T584 VanDerWaalsContact C-N 3.29Å; R582-T584 PolarHBondContact O-N 3.09Å; R582-Y585 PolarHBondContact O-N 3.47Å; R582-I586 HydrophobicContact CG-CB 4.39Å; R582-I586 WeakPolarHBondContact O-CA 3.2Å; R582-I586 WeakPolarHBondContact O-CB 3.44Å; R582-I586 PolarHBondContact O-N 3.47Å; R582-G587 PolarHBondContact O-N 2.96Å; R582-G587 VanDerWaalsContact O-N 3.09Å; R582-A691 HydrophobicContact CB-CB 4.43Å; R582-A691 PolarHBondContact NH1-O 3.22Å; R582-A691 VanDerWaalsContact NH1-O 3.1Å; R582-D693 IonicContact CZ-OD1 3.95Å; R582-D693 IonicContact CZ-OD2 3.21Å; R582-D693 IonicContact NH1-OD1 3.6Å; R582-D693 PolarHBondContact NH1-OD1 3.19Å; R582-D693 VanDerWaalsContact NH1-OD1 3.12Å; R582-D693 IonicContact NH1-OD2 3.76Å; R582-D693 PolarHBondContact NH1-OD2 3.13Å; R582-D693 IonicContact NH2-OD1 2.97Å; R582-D693 PolarHBondContact NH2-OD1 3.06Å; R582-D693 IonicContact NH2-OD2 2.71Å; R582-D693 PolarHBondContact NH2-OD2 2.93Å
583	N	94.2	Very high	93.3	Very high	97 Å²	97	69.9 Å²	69.9	52%	0.519	36%	0.358	S	S	.	.	H	α-helix	trans	-63.3	-35.4	178.2	-72.5	-16.7	0	0	0	112.4	K579 E580 I581 G587	K579-N583 WeakPolarHBondContact O-CB 3.44Å; K579-N583 PolarHBondContact O-N 2.95Å; K579-N583 PolarHBondContact O-ND2 2.98Å; E580-N583 PolarHBondContact O-N 2.83Å; I581-N583 PolarHBondContact O-N 2.81Å; N583-G587 VanDerWaalsContact O-CA 3.24Å; N583-G587 WeakPolarHBondContact O-CA 3.34Å; N583-G587 PolarHBondContact O-N 3.31Å
584	T	94.3	Very high	93.3	Very high	90 Å²	90	64.9 Å²	64.9	55%	0.552	34%	0.335	S	S	*	.	H	α-helix	trans	-67.6	-47.9	180	-58	0	0	0	0	111.5	E580 I581 R582 R667	E580-T584 WeakPolarHBondContact O-CB 3.47Å; E580-T584 PolarHBondContact O-N 3.19Å; E580-T584 PolarHBondContact O-OG1 3Å; I581-T584 PolarHBondContact O-N 2.93Å; R582-T584 VanDerWaalsContact C-N 3.29Å; R582-T584 PolarHBondContact O-N 3.09Å; T584-R667 PolarHBondContact O-NH2 2.76Å
585	Y	94.4	Very high	93.4	Very high	70 Å²	70	64.8 Å²	64.8	28%	0.275	33%	0.334	S	S	.	.	H	α-helix	trans	-94.4	-37.8	-172.3	-64.1	-67.2	0	0	0	113.8	I581 R582 F594 F631 R667 V674	I581-Y585 HydrophobicContact CG2-CD2 3.96Å; I581-Y585 HydrophobicContact CG2-CE2 4.21Å; I581-Y585 VanDerWaalsContact O-CD2 3.28Å; I581-Y585 WeakPolarHBondContact O-CD2 3.1Å; I581-Y585 PolarHBondContact O-N 3.26Å; I581-Y585 VanDerWaalsContact O-N 3.09Å; R582-Y585 PolarHBondContact O-N 3.47Å; Y585-F594 AromaticContact CD2-CE2 3.72Å; Y585-F594 HydrophobicContact CD2-CE2 3.72Å; Y585-F594 HydrophobicContact CD2-CZ 4.35Å; Y585-F594 AromaticContact CG-CE2 3.95Å; Y585-F594 HydrophobicContact CG-CE2 3.95Å; Y585-F631 HydrophobicContact CD2-CD2 4.25Å; Y585-F631 HydrophobicContact CD2-CE2 4.38Å; Y585-F631 HydrophobicContact CE1-CD2 4.39Å; Y585-F631 HydrophobicContact CE1-CE2 4.24Å; Y585-F631 AromaticContact CE2-CD2 3.91Å; Y585-F631 HydrophobicContact CE2-CD2 3.91Å; Y585-F631 AromaticContact CE2-CE2 3.6Å; Y585-F631 HydrophobicContact CE2-CE2 3.6Å; Y585-F631 AromaticContact CZ-CE2 3.53Å; Y585-R667 VanDerWaalsContact O-CZ 3.32Å; Y585-R667 PolarHBondContact O-NH1 2.91Å; Y585-R667 PolarHBondContact O-NH2 3.32Å; Y585-V674 HydrophobicContact CD1-CG2 4.1Å; Y585-V674 HydrophobicContact CE1-CG1 4.35Å; Y585-V674 HydrophobicContact CE1-CG2 3.89Å
586	I	93.5	Very high	93.4	Very high	3 Å²	3	60.9 Å²	60.9	2%	0.015	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-30.4	-177.8	-54.3	-57.3	0	0	0	112.2	R582 F594 V629	R582-I586 HydrophobicContact CG-CB 4.39Å; R582-I586 WeakPolarHBondContact O-CA 3.2Å; R582-I586 WeakPolarHBondContact O-CB 3.44Å; R582-I586 PolarHBondContact O-N 3.47Å; I586-F594 HydrophobicContact CD1-CB 4.04Å; I586-F594 HydrophobicContact CD1-CD2 4.14Å; I586-F594 HydrophobicContact CG1-CB 3.86Å; I586-F594 HydrophobicContact CG1-CD2 4.01Å; I586-F594 HydrophobicContact CG1-CG 4.44Å; I586-V629 HydrophobicContact CD1-CB 4.21Å; I586-V629 HydrophobicContact CD1-CG2 4.16Å
587	G	86.9	Confident	93.4	Very high	23 Å²	23	56.7 Å²	56.7	24%	0.237	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	65	-146.9	-173.7	0	0	0	0	0	112	R582 N583 S589	R582-G587 PolarHBondContact O-N 2.96Å; R582-G587 VanDerWaalsContact O-N 3.09Å; N583-G587 VanDerWaalsContact O-CA 3.24Å; N583-G587 WeakPolarHBondContact O-CA 3.34Å; N583-G587 PolarHBondContact O-N 3.31Å; G587-S589 VanDerWaalsContact C-N 3.26Å; G587-S589 PolarHBondContact O-N 2.98Å
588	N	81.2	Confident	93.3	Very high	164 Å²	164	54.3 Å²	54.3	88%	0.877	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	13.9	-179.4	-67.4	-22.8	0	0	0	113.6	S590	N588-S590 PolarHBondContact O-N 3.29Å
589	S	82.7	Confident	93.2	Very high	37 Å²	37	54.7 Å²	54.7	26%	0.259	29%	0.286	S	S	.	.			trans	-68.6	115.6	179.6	-176.5	0	0	0	0	110.3	G587 K591 G592	G587-S589 VanDerWaalsContact C-N 3.26Å; G587-S589 PolarHBondContact O-N 2.98Å; S589-K591 PolarHBondContact O-N 2.9Å; S589-K591 PolarHBondContact OG-N 3.1Å; S589-G592 PolarHBondContact OG-N 3.06Å; S589-G592 VanDerWaalsContact OG-N 3.08Å
590	S	82.3	Confident	93	Very high	121 Å²	121	55.5 Å²	55.5	85%	0.846	29%	0.286	S	S	*	.	S	Bend	trans	-73.8	-14.4	174	68	0	0	0	0	113.2	N588	N588-S590 PolarHBondContact O-N 3.29Å
591	K	89.1	Confident	93	Very high	147 Å²	147	50.5 Å²	50.5	64%	0.639	26%	0.263	S	S	*	.	S	Bend	trans	-99.4	-23.4	-179.1	-66.2	-172	177.9	-174.1	0	113.3	S589 R624 I627	S589-K591 PolarHBondContact O-N 2.9Å; S589-K591 PolarHBondContact OG-N 3.1Å; K591-R624 PolarHBondContact O-NH2 2.84Å; K591-I627 HydrophobicContact CB-CD1 4.05Å
592	G	93.3	Very high	92.9	Very high	2 Å²	2	50.1 Å²	50.1	2%	0.021	26%	0.261	C	S	.	.			trans	-69.7	143.8	-178	0	0	0	0	0	111.9	S589 I627	S589-G592 PolarHBondContact OG-N 3.06Å; S589-G592 VanDerWaalsContact OG-N 3.08Å; G592-I627 WeakPolarHBondContact CA-O 3.1Å
593	K	96.7	Very high	92.9	Very high	44 Å²	44	46.7 Å²	46.7	19%	0.191	25%	0.248	C	C	.	.			trans	-121	129.4	-178.1	-63.1	-69.5	-170.7	173.9	0	110.3	F595 D628 V629 D693 A765	K593-F595 HydrophobicContact CB-CD2 4.3Å; K593-F595 HydrophobicContact CB-CE2 3.78Å; K593-F595 HydrophobicContact CB-CZ 4.23Å; K593-D628 WeakPolarHBondContact CB-OD1 3.3Å; K593-D628 PolarHBondContact N-OD1 3.05Å; K593-D628 WeakPolarHBondContact O-CA 3.5Å; K593-V629 PolarHBondContact O-N 3.31Å; K593-V629 VanDerWaalsContact O-N 3.08Å; K593-D693 HydrophobicContact CB-CB 4.41Å; K593-D693 HydrophobicContact CD-CB 3.67Å; K593-A765 WeakPolarHBondContact CE-O 3.44Å; K593-A765 HydrophobicContact CG-CB 4.24Å
594	F	97.9	Very high	93	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	100.8	171.4	-166.7	-94.3	0	0	0	109.3	I581 Y585 I586 F596 F631 H688 M692 D693 V694	I581-F594 HydrophobicContact CG2-CE2 4.26Å; I581-F594 HydrophobicContact CG2-CZ 3.91Å; Y585-F594 AromaticContact CD2-CE2 3.72Å; Y585-F594 HydrophobicContact CD2-CE2 3.72Å; Y585-F594 HydrophobicContact CD2-CZ 4.35Å; Y585-F594 AromaticContact CG-CE2 3.95Å; Y585-F594 HydrophobicContact CG-CE2 3.95Å; I586-F594 HydrophobicContact CD1-CB 4.04Å; I586-F594 HydrophobicContact CD1-CD2 4.14Å; I586-F594 HydrophobicContact CG1-CB 3.86Å; I586-F594 HydrophobicContact CG1-CD2 4.01Å; I586-F594 HydrophobicContact CG1-CG 4.44Å; F594-F596 HydrophobicContact CD1-CB 4.05Å; F594-F596 HydrophobicContact CE1-CB 3.88Å; F594-F596 AromaticContact CE1-CD2 3.95Å; F594-F596 HydrophobicContact CE1-CD2 3.95Å; F594-F596 HydrophobicContact CE1-CG 4.2Å; F594-F631 HydrophobicContact CE1-CB 3.99Å; F594-F631 HydrophobicContact CE1-CG 4.5Å; F594-F631 HydrophobicContact CE2-CB 3.9Å; F594-F631 HydrophobicContact CE2-CD2 4.15Å; F594-F631 HydrophobicContact CE2-CG 4.31Å; F594-F631 HydrophobicContact CZ-CB 3.45Å; F594-F631 VanDerWaalsContact CZ-CB 3.45Å; F594-F631 AromaticContact CZ-CD2 3.86Å; F594-F631 HydrophobicContact CZ-CD2 3.86Å; F594-F631 AromaticContact CZ-CG 3.71Å; F594-F631 HydrophobicContact CZ-CG 3.71Å; F594-H688 AromaticContact CZ-CD2 3.98Å; F594-M692 HydrophobicContact CD1-CB 3.91Å; F594-D693 PolarHBondContact N-OD2 3.36Å; F594-D693 PolarHBondContact O-N 3.38Å; F594-V694 PolarHBondContact O-N 2.68Å
595	F	98.6	Very high	93.1	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	121.5	170.9	-64.8	-89.6	0	0	0	108.6	K593 F614 D628 V629 L630 F631 V694 V696 I721 F761 A764 A765	K593-F595 HydrophobicContact CB-CD2 4.3Å; K593-F595 HydrophobicContact CB-CE2 3.78Å; K593-F595 HydrophobicContact CB-CZ 4.23Å; F595-F614 AromaticContact CD2-CE2 3.98Å; F595-F614 HydrophobicContact CD2-CE2 3.98Å; F595-F614 HydrophobicContact CE2-CE2 4.29Å; F595-F614 HydrophobicContact CG-CE2 4.4Å; F595-D628 HydrophobicContact CE2-CB 4.19Å; F595-V629 PolarHBondContact N-O 2.9Å; F595-L630 HydrophobicContact CB-CB 4.43Å; F595-L630 HydrophobicContact CB-CD1 3.83Å; F595-F631 PolarHBondContact O-N 3.12Å; F595-V694 CarbonylContact C-O 3.5Å; F595-V694 VanDerWaalsContact CA-O 3.31Å; F595-V694 WeakPolarHBondContact CA-O 3.47Å; F595-V694 HydrophobicContact CD1-CB 3.51Å; F595-V694 HydrophobicContact CD1-CG1 3.72Å; F595-V694 HydrophobicContact CD1-CG2 4.01Å; F595-V694 HydrophobicContact CE1-CB 3.72Å; F595-V694 HydrophobicContact CE1-CG1 3.81Å; F595-V694 HydrophobicContact CE1-CG2 3.72Å; F595-V694 HydrophobicContact CG-CB 4.35Å; F595-V694 HydrophobicContact CZ-CG2 4.34Å; F595-V696 HydrophobicContact CB-CG2 4.12Å; F595-V696 HydrophobicContact CD1-CG2 3.95Å; F595-I721 HydrophobicContact CD1-CD1 4.49Å; F595-I721 HydrophobicContact CE1-CD1 4.23Å; F595-F761 AromaticContact CD1-CD1 3.76Å; F595-F761 HydrophobicContact CD1-CD1 3.76Å; F595-F761 AromaticContact CD1-CE1 3.97Å; F595-F761 HydrophobicContact CD1-CE1 3.97Å; F595-F761 AromaticContact CE1-CD1 3.65Å; F595-F761 HydrophobicContact CE1-CD1 3.65Å; F595-F761 HydrophobicContact CE1-CE1 4.33Å; F595-F761 HydrophobicContact CG-CD1 4.4Å; F595-F761 HydrophobicContact CG-CE1 4.46Å; F595-F761 HydrophobicContact CZ-CD1 4.19Å; F595-A764 HydrophobicContact CE1-CB 4.41Å; F595-A765 HydrophobicContact CZ-CB 4.01Å
596	F	98.6	Very high	93.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	134.4	-178.9	-174.8	-117.3	0	0	0	111.7	F594 C598 F631 V633 H688 Y689 M692 V694 G695 V696 M711	F594-F596 HydrophobicContact CD1-CB 4.05Å; F594-F596 HydrophobicContact CE1-CB 3.88Å; F594-F596 AromaticContact CE1-CD2 3.95Å; F594-F596 HydrophobicContact CE1-CD2 3.95Å; F594-F596 HydrophobicContact CE1-CG 4.2Å; F596-C598 HydrophobicContact CE1-CB 3.93Å; F596-C598 HydrophobicContact CZ-CB 3.84Å; F596-F631 HydrophobicContact CD2-CB 4.14Å; F596-F631 AromaticContact CD2-CD1 3.82Å; F596-F631 HydrophobicContact CD2-CD1 3.82Å; F596-F631 HydrophobicContact CD2-CG 4.32Å; F596-F631 WeakPolarHBondContact CD2-O 3.5Å; F596-F631 AromaticContact CE2-CD1 3.65Å; F596-F631 HydrophobicContact CE2-CD1 3.65Å; F596-F631 HydrophobicContact CE2-CE1 4.18Å; F596-V633 HydrophobicContact CE2-CG2 3.82Å; F596-V633 HydrophobicContact CZ-CG2 4.08Å; F596-H688 HydrophobicContact CD1-CB 4.1Å; F596-H688 HydrophobicContact CD2-CB 3.88Å; F596-H688 HydrophobicContact CE1-CB 3.69Å; F596-H688 HydrophobicContact CE2-CB 3.45Å; F596-H688 VanDerWaalsContact CE2-CB 3.45Å; F596-H688 AromaticContact CE2-CD2 3.7Å; F596-H688 AromaticContact CE2-CG 3.74Å; F596-H688 HydrophobicContact CG-CB 4.19Å; F596-H688 HydrophobicContact CZ-CB 3.36Å; F596-H688 AromaticContact CZ-CG 3.98Å; F596-Y689 AromaticContact CD1-CD1 3.71Å; F596-Y689 HydrophobicContact CD1-CD1 3.71Å; F596-Y689 AromaticContact CD1-CE1 3.96Å; F596-Y689 HydrophobicContact CD1-CE1 3.96Å; F596-Y689 AromaticContact CE1-CD1 3.48Å; F596-Y689 HydrophobicContact CE1-CD1 3.48Å; F596-Y689 VanDerWaalsContact CE1-CD1 3.48Å; F596-Y689 AromaticContact CE1-CE1 3.44Å; F596-Y689 HydrophobicContact CE1-CE1 3.44Å; F596-Y689 VanDerWaalsContact CE1-CE1 3.44Å; F596-M692 HydrophobicContact CB-CB 3.63Å; F596-M692 HydrophobicContact CB-CG 4.46Å; F596-M692 HydrophobicContact CB-SD 4.15Å; F596-M692 HydrophobicContact CD1-SD 4.19Å; F596-V694 PolarHBondContact N-O 3.36Å; F596-G695 CarbonylContact O-C 3.57Å; F596-G695 WeakPolarHBondContact O-CA 3.46Å; F596-V696 PolarHBondContact O-N 2.93Å; F596-M711 HydrophobicContact CD1-CE 3.84Å; F596-M711 HydrophobicContact CE1-CE 4.37Å; F596-M711 WeakPolarHBondContact O-CE 3.32Å
597	S	98.2	Very high	93.5	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.007	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	142.8	172.1	-176.5	0	0	0	0	110.4	E599 K610 F631 Q632 V633 V696	S597-E599 PolarHBondContact OG-OE1 3.37Å; S597-K610 PolarHBondContact OG-NZ 2.95Å; S597-F631 PolarHBondContact N-O 3.02Å; S597-Q632 PolarHBondContact OG-NE2 3.44Å; S597-Q632 PolarHBondContact OG-OE1 3.23Å; S597-V633 PolarHBondContact O-N 3.31Å; S597-V696 WeakPolarHBondContact CB-O 3.37Å; S597-V696 PolarHBondContact OG-O 3.07Å
598	C	96	Very high	94	Very high	20 Å²	20	38 Å²	38	14%	0.135	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	118.1	180	-179.5	0	0	0	0	111.2	F596 V633 V707	F596-C598 HydrophobicContact CE1-CB 3.93Å; F596-C598 HydrophobicContact CZ-CB 3.84Å; C598-V633 WeakPolarHBondContact CA-O 3.23Å; C598-V633 HydrophobicContact CB-CB 4.09Å; C598-V707 WeakPolarHBondContact O-CG2 2.95Å
599	E	95.1	Very high	94.8	Very high	16 Å²	16	31.6 Å²	31.6	8%	0.075	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	180	178	61.7	-141.8	130	0	0	112.3	S597 K605 I607 K610 Q632 V633 A634 V635	S597-E599 PolarHBondContact OG-OE1 3.37Å; E599-K605 HydrophobicContact CB-CD 4.35Å; E599-K605 HydrophobicContact CB-CG 4.17Å; E599-K605 HydrophobicContact CG-CB 3.87Å; E599-K605 HydrophobicContact CG-CG 4.01Å; E599-K605 VanDerWaalsContact OE2-CB 3.29Å; E599-K605 WeakPolarHBondContact OE2-CB 3.39Å; E599-I607 HydrophobicContact CG-CD1 3.95Å; E599-I607 HydrophobicContact CG-CG1 4.18Å; E599-K610 IonicContact OE1-NZ 3.45Å; E599-K610 PolarHBondContact OE1-NZ 3.41Å; E599-Q632 PolarHBondContact OE1-NE2 2.96Å; E599-V633 PolarHBondContact N-O 3.29Å; E599-A634 WeakPolarHBondContact O-CA 3.16Å; E599-V635 PolarHBondContact O-N 2.9Å
600	R	92.8	Very high	95.5	Very high	141 Å²	141	29.8 Å²	29.8	53%	0.532	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	150.9	169.9	-61.5	-177.7	-169.3	159.8	2.6	109.7	D602	R600-D602 HydrophobicContact CB-CB 4.28Å; R600-D602 PolarHBondContact O-N 2.77Å
601	F	96	Very high	96.3	Very high	2 Å²	2	24 Å²	24	1%	0.009	10%	0.104	C	C	.	.	S	Bend	trans	-79.2	62.5	176.7	-148.1	158.4	0	0	0	111.8	I607 A634 V635 N637 Y647 Q648 C651 L675 T677	F601-I607 HydrophobicContact CD2-CD1 3.95Å; F601-I607 HydrophobicContact CE2-CD1 4.4Å; F601-A634 HydrophobicContact CB-CB 4.07Å; F601-A634 HydrophobicContact CD1-CB 3.8Å; F601-A634 WeakPolarHBondContact CD1-O 3.43Å; F601-A634 HydrophobicContact CD2-CB 4.2Å; F601-A634 HydrophobicContact CE1-CB 4.26Å; F601-A634 HydrophobicContact CG-CB 3.76Å; F601-V635 WeakPolarHBondContact CB-O 3.49Å; F601-V635 PolarHBondContact N-O 2.88Å; F601-N637 VanDerWaalsContact C-OD1 3.28Å; F601-N637 PolarHBondContact N-OD1 2.63Å; F601-N637 VanDerWaalsContact N-OD1 3.07Å; F601-N637 PolarHBondContact O-OD1 2.95Å; F601-Y647 HydrophobicContact CD2-CD1 4.39Å; F601-Y647 HydrophobicContact CD2-CE1 4.2Å; F601-Y647 HydrophobicContact CE2-CD1 4.41Å; F601-Y647 HydrophobicContact CE2-CE1 4.24Å; F601-Q648 HydrophobicContact CB-CG 4.2Å; F601-Q648 HydrophobicContact CD1-CB 4.45Å; F601-Q648 HydrophobicContact CD1-CG 3.92Å; F601-Q648 HydrophobicContact CD2-CB 4.39Å; F601-Q648 HydrophobicContact CD2-CG 3.6Å; F601-Q648 HydrophobicContact CE1-CB 4.24Å; F601-Q648 HydrophobicContact CE1-CG 4.18Å; F601-Q648 HydrophobicContact CE2-CB 4.19Å; F601-Q648 HydrophobicContact CE2-CG 3.9Å; F601-Q648 HydrophobicContact CG-CG 3.63Å; F601-Q648 HydrophobicContact CZ-CB 4.11Å; F601-Q648 HydrophobicContact CZ-CG 4.17Å; F601-Q648 PolarHBondContact O-NE2 3.2Å; F601-C651 HydrophobicContact CE2-CB 3.59Å; F601-C651 HydrophobicContact CZ-CB 3.62Å; F601-L675 HydrophobicContact CE1-CD2 4.4Å; F601-T677 HydrophobicContact CD1-CG2 4.21Å; F601-T677 HydrophobicContact CE1-CG2 4.05Å
602	D	94.8	Very high	96.8	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.011	9%	0.088	C	C	.	.			trans	-116.6	142.9	-172.5	-172.5	-64.2	0	0	0	110.2	R600 T604 K605 Y644	R600-D602 HydrophobicContact CB-CB 4.28Å; R600-D602 PolarHBondContact O-N 2.77Å; D602-T604 PolarHBondContact O-N 3.37Å; D602-T604 VanDerWaalsContact OD1-CB 3.3Å; D602-T604 WeakPolarHBondContact OD1-CB 3.3Å; D602-T604 VanDerWaalsContact OD1-CG2 3.26Å; D602-T604 WeakPolarHBondContact OD1-CG2 3.21Å; D602-T604 PolarHBondContact OD1-N 2.92Å; D602-T604 PolarHBondContact OD1-OG1 2.93Å; D602-K605 HydrophobicContact CB-CG 4.11Å; D602-K605 WeakPolarHBondContact O-CB 3.34Å; D602-K605 PolarHBondContact O-N 3.37Å; D602-K605 VanDerWaalsContact O-N 3.14Å; D602-Y644 HydrophobicContact CB-CE1 4.15Å; D602-Y644 VanDerWaalsContact OD2-CE1 3.26Å; D602-Y644 WeakPolarHBondContact OD2-CE1 3.46Å; D602-Y644 PolarHBondContact OD2-OH 2.86Å
603	Y	95.3	Very high	97	Very high	1 Å²	1	19.3 Å²	19.3	0%	0.004	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-64.5	-22.8	-177.7	51.7	-109.2	0	0	0	113.6	W403 L409 Y412 K605 Y644 I700	W403-Y603 AromaticContact CD1-CZ 3.92Å; L409-Y603 HydrophobicContact CD1-CD2 3.73Å; L409-Y603 HydrophobicContact CD1-CE2 4.07Å; Y412-Y603 AromaticContact CD1-CD1 3.39Å; Y412-Y603 HydrophobicContact CD1-CD1 3.39Å; Y412-Y603 AromaticContact CD1-CD2 3.95Å; Y412-Y603 HydrophobicContact CD1-CD2 3.95Å; Y412-Y603 AromaticContact CD1-CE1 3.61Å; Y412-Y603 HydrophobicContact CD1-CE1 3.61Å; Y412-Y603 HydrophobicContact CD1-CE2 4.18Å; Y412-Y603 AromaticContact CD1-CG 3.55Å; Y412-Y603 HydrophobicContact CD1-CG 3.55Å; Y412-Y603 AromaticContact CD2-CD2 3.96Å; Y412-Y603 HydrophobicContact CD2-CD2 3.96Å; Y412-Y603 HydrophobicContact CD2-CE2 4.28Å; Y412-Y603 HydrophobicContact CD2-CG 4.25Å; Y412-Y603 AromaticContact CE1-CD1 3.6Å; Y412-Y603 HydrophobicContact CE1-CD1 3.6Å; Y412-Y603 HydrophobicContact CE1-CD2 4.22Å; Y412-Y603 HydrophobicContact CE1-CE1 4.29Å; Y412-Y603 AromaticContact CE1-CG 3.53Å; Y412-Y603 HydrophobicContact CE1-CG 3.53Å; Y412-Y603 HydrophobicContact CE2-CD2 4.21Å; Y412-Y603 HydrophobicContact CE2-CG 4.22Å; Y412-Y603 HydrophobicContact CG-CD1 4.06Å; Y412-Y603 AromaticContact CG-CD2 3.81Å; Y412-Y603 HydrophobicContact CG-CD2 3.81Å; Y412-Y603 HydrophobicContact CG-CE1 4.06Å; Y412-Y603 AromaticContact CG-CE2 3.85Å; Y412-Y603 HydrophobicContact CG-CE2 3.85Å; Y412-Y603 AromaticContact CG-CG 3.92Å; Y412-Y603 HydrophobicContact CG-CG 3.92Å; Y412-Y603 AromaticContact CG-CZ 3.96Å; Y412-Y603 AromaticContact CZ-CG 3.87Å; Y603-K605 PolarHBondContact O-N 3.17Å; Y603-Y644 HydrophobicContact CD1-CD2 4.33Å; Y603-Y644 HydrophobicContact CD1-CE1 4.49Å; Y603-Y644 HydrophobicContact CD1-CE2 4.18Å; Y603-Y644 AromaticContact CE1-CD2 3.85Å; Y603-Y644 HydrophobicContact CE1-CD2 3.85Å; Y603-Y644 HydrophobicContact CE1-CE1 4.35Å; Y603-Y644 AromaticContact CE1-CE2 3.4Å; Y603-Y644 HydrophobicContact CE1-CE2 3.4Å; Y603-Y644 HydrophobicContact CE1-CG 4.49Å; Y603-Y644 AromaticContact CE1-CZ 3.68Å; Y603-I700 WeakPolarHBondContact O-CD1 3.48Å
604	T	95.9	Very high	97.1	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-67.9	-16.4	176.8	59.6	0	0	0	0	113.3	W403 H407 L409 D602 I700	W403-T604 HydrophobicContact CZ2-CG2 4.13Å; H407-T604 HydrophobicContact CB-CG2 3.91Å; H407-T604 WeakPolarHBondContact CD2-CG2 3.19Å; L409-T604 HydrophobicContact CD1-CG2 4Å; D602-T604 PolarHBondContact O-N 3.37Å; D602-T604 VanDerWaalsContact OD1-CB 3.3Å; D602-T604 WeakPolarHBondContact OD1-CB 3.3Å; D602-T604 VanDerWaalsContact OD1-CG2 3.26Å; D602-T604 WeakPolarHBondContact OD1-CG2 3.21Å; D602-T604 PolarHBondContact OD1-N 2.92Å; D602-T604 PolarHBondContact OD1-OG1 2.93Å; T604-I700 PolarHBondContact O-N 2.99Å
605	K	96.6	Very high	97.1	Very high	24 Å²	24	19.1 Å²	19.1	10%	0.104	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-87.9	-2.3	-171.4	-64.5	-49.8	179.7	-155	0	114.9	E599 D602 Y603 I607 T698 P699 D702	E599-K605 HydrophobicContact CB-CD 4.35Å; E599-K605 HydrophobicContact CB-CG 4.17Å; E599-K605 HydrophobicContact CG-CB 3.87Å; E599-K605 HydrophobicContact CG-CG 4.01Å; E599-K605 VanDerWaalsContact OE2-CB 3.29Å; E599-K605 WeakPolarHBondContact OE2-CB 3.39Å; D602-K605 HydrophobicContact CB-CG 4.11Å; D602-K605 WeakPolarHBondContact O-CB 3.34Å; D602-K605 PolarHBondContact O-N 3.37Å; D602-K605 VanDerWaalsContact O-N 3.14Å; Y603-K605 PolarHBondContact O-N 3.17Å; K605-I607 HydrophobicContact CB-CD1 4.31Å; K605-I607 HydrophobicContact CB-CG1 4.03Å; K605-I607 PolarHBondContact O-N 3.43Å; K605-T698 VanDerWaalsContact O-O 3.12Å; K605-P699 HydrophobicContact CD-CB 4.41Å; K605-D702 IonicContact NZ-OD1 3.11Å; K605-D702 IonicContact NZ-OD2 3.68Å; K605-D702 PolarHBondContact NZ-OD2 3.15Å
606	G	96.6	Very high	97.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	10%	0.1	C	C	.	.			trans	63.4	24.3	173.1	0	0	0	0	0	114.2	K608 E609 K610	G606-K608 VanDerWaalsContact C-N 3.34Å; G606-E609 VanDerWaalsContact CA-OE2 3.31Å; G606-E609 WeakPolarHBondContact CA-OE2 3.49Å; G606-E609 PolarHBondContact O-N 3.43Å; G606-K610 VanDerWaalsContact O-CB 3.3Å; G606-K610 WeakPolarHBondContact O-CB 3.25Å; G606-K610 PolarHBondContact O-N 2.87Å
607	I	98.1	Very high	97.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-63.1	-42.6	-178.1	-58.8	173.6	0	0	0	109.9	E599 F601 K605 K610 L611 Q632 A634 Y647	E599-I607 HydrophobicContact CG-CD1 3.95Å; E599-I607 HydrophobicContact CG-CG1 4.18Å; F601-I607 HydrophobicContact CD2-CD1 3.95Å; F601-I607 HydrophobicContact CE2-CD1 4.4Å; K605-I607 HydrophobicContact CB-CD1 4.31Å; K605-I607 HydrophobicContact CB-CG1 4.03Å; K605-I607 PolarHBondContact O-N 3.43Å; I607-K610 PolarHBondContact O-N 3.3Å; I607-L611 HydrophobicContact CG2-CD1 4.06Å; I607-L611 HydrophobicContact CG2-CG 4.36Å; I607-L611 WeakPolarHBondContact O-CB 3.24Å; I607-L611 VanDerWaalsContact O-CG 3.24Å; I607-L611 WeakPolarHBondContact O-CG 3.18Å; I607-L611 PolarHBondContact O-N 2.98Å; I607-Q632 HydrophobicContact CG2-CG 4.27Å; I607-A634 HydrophobicContact CD1-CB 3.87Å; I607-Y647 WeakPolarHBondContact CB-OH 3.11Å; I607-Y647 PolarHBondContact N-OH 2.97Å
608	K	97.9	Very high	97.1	Very high	75 Å²	75	22.7 Å²	22.7	33%	0.326	10%	0.1	S	C	.	.	H	α-helix	trans	-59.9	-50.3	178.3	-179	-175.5	172	-169.5	0	111.2	G606 K610 L611 V612 Y647	G606-K608 VanDerWaalsContact C-N 3.34Å; K608-K610 VanDerWaalsContact C-N 3.34Å; K608-K610 PolarHBondContact O-N 2.92Å; K608-L611 WeakPolarHBondContact O-CB 3.34Å; K608-L611 PolarHBondContact O-N 3.01Å; K608-V612 WeakPolarHBondContact O-CG2 3.39Å; K608-V612 PolarHBondContact O-N 2.93Å; K608-Y647 HydrophobicContact CB-CE2 3.7Å; K608-Y647 HydrophobicContact CD-CE2 4.43Å; K608-Y647 PolarHBondContact N-OH 3.08Å; K608-Y647 VanDerWaalsContact N-OH 3.17Å
609	E	98.1	Very high	97.2	Very high	30 Å²	30	25.4 Å²	25.4	14%	0.14	11%	0.11	C	C	.	.	H	α-helix	trans	-63.7	-41.9	-178.5	-66.5	64.2	-137.7	0	0	110.6	G606 L611 V612 A613 I751	G606-E609 VanDerWaalsContact CA-OE2 3.31Å; G606-E609 WeakPolarHBondContact CA-OE2 3.49Å; G606-E609 PolarHBondContact O-N 3.43Å; E609-L611 PolarHBondContact O-N 2.67Å; E609-V612 PolarHBondContact O-N 3.13Å; E609-A613 WeakPolarHBondContact O-CB 3.27Å; E609-A613 PolarHBondContact O-N 3.42Å; E609-I751 HydrophobicContact CB-CD1 3.98Å; E609-I751 HydrophobicContact CB-CG1 3.76Å; E609-I751 HydrophobicContact CG-CD1 4.5Å; E609-I751 HydrophobicContact CG-CG1 4.37Å; E609-I751 HydrophobicContact CG-CG2 4.43Å
610	K	98.3	Very high	97.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-58.4	-45.1	172.7	-173.6	-167.4	-54.2	170.4	0	112.5	S597 E599 G606 I607 K608 A613 F614 V696 T698 F757 F761	S597-K610 PolarHBondContact OG-NZ 2.95Å; E599-K610 IonicContact OE1-NZ 3.45Å; E599-K610 PolarHBondContact OE1-NZ 3.41Å; G606-K610 VanDerWaalsContact O-CB 3.3Å; G606-K610 WeakPolarHBondContact O-CB 3.25Å; G606-K610 PolarHBondContact O-N 2.87Å; I607-K610 PolarHBondContact O-N 3.3Å; K608-K610 VanDerWaalsContact C-N 3.34Å; K608-K610 PolarHBondContact O-N 2.92Å; K610-A613 PolarHBondContact O-N 3.47Å; K610-F614 WeakPolarHBondContact O-CB 3.06Å; K610-F614 PolarHBondContact O-N 3.25Å; K610-V696 HydrophobicContact CD-CG1 3.79Å; K610-V696 HydrophobicContact CG-CG1 4.08Å; K610-T698 WeakPolarHBondContact CE-OG1 3.46Å; K610-F757 HydrophobicContact CB-CE1 4.3Å; K610-F757 HydrophobicContact CB-CZ 4.16Å; K610-F757 HydrophobicContact CG-CZ 4.16Å; K610-F761 HydrophobicContact CG-CZ 4.02Å
611	L	98.6	Very high	97.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-64.4	-40	176.8	-71.3	171.7	0	0	0	111.8	I607 K608 E609 F614 K615 L630 C651 L654 V655 I658 V673	I607-L611 HydrophobicContact CG2-CD1 4.06Å; I607-L611 HydrophobicContact CG2-CG 4.36Å; I607-L611 WeakPolarHBondContact O-CB 3.24Å; I607-L611 VanDerWaalsContact O-CG 3.24Å; I607-L611 WeakPolarHBondContact O-CG 3.18Å; I607-L611 PolarHBondContact O-N 2.98Å; K608-L611 WeakPolarHBondContact O-CB 3.34Å; K608-L611 PolarHBondContact O-N 3.01Å; E609-L611 PolarHBondContact O-N 2.67Å; L611-F614 PolarHBondContact O-N 2.86Å; L611-K615 WeakPolarHBondContact O-CB 3.43Å; L611-K615 PolarHBondContact O-N 3.03Å; L611-L630 HydrophobicContact CD2-CD2 4.25Å; L611-C651 HydrophobicContact CD1-CB 4.13Å; L611-L654 HydrophobicContact CB-CD2 3.49Å; L611-L654 VanDerWaalsContact CB-CD2 3.49Å; L611-L654 HydrophobicContact CB-CG 4.07Å; L611-L654 HydrophobicContact CD1-CD2 4.25Å; L611-V655 HydrophobicContact CD1-CG2 3.73Å; L611-V655 HydrophobicContact CD2-CG2 3.77Å; L611-V655 HydrophobicContact CG-CG2 4.41Å; L611-I658 HydrophobicContact CB-CD1 4.21Å; L611-I658 HydrophobicContact CD2-CD1 4.4Å; L611-I658 WeakPolarHBondContact O-CD1 3.12Å; L611-V673 HydrophobicContact CD2-CG1 3.87Å; L611-V673 HydrophobicContact CD2-CG2 4.45Å
612	V	98.4	Very high	97.5	Very high	49 Å²	49	25.9 Å²	25.9	30%	0.297	12%	0.124	S	C	.	.	H	α-helix	trans	-63.8	-45.2	175.6	172.8	0	0	0	0	111	K608 E609 K615 R616 L654 T754	K608-V612 WeakPolarHBondContact O-CG2 3.39Å; K608-V612 PolarHBondContact O-N 2.93Å; E609-V612 PolarHBondContact O-N 3.13Å; V612-K615 WeakPolarHBondContact O-CB 3.41Å; V612-K615 PolarHBondContact O-N 3.34Å; V612-R616 PolarHBondContact O-N 3.01Å; V612-L654 HydrophobicContact CG2-CD2 3.64Å; V612-T754 HydrophobicContact CG1-CG2 3.73Å
613	A	98.4	Very high	97.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64	-41.7	175.9	0	0	0	0	0	112.3	E609 K610 K615 R616 F617 F757 F761	E609-A613 WeakPolarHBondContact O-CB 3.27Å; E609-A613 PolarHBondContact O-N 3.42Å; K610-A613 PolarHBondContact O-N 3.47Å; A613-K615 PolarHBondContact O-N 3.47Å; A613-R616 WeakPolarHBondContact O-CB 3.43Å; A613-R616 PolarHBondContact O-N 2.81Å; A613-R616 VanDerWaalsContact O-N 3.13Å; A613-F617 PolarHBondContact O-N 3.27Å; A613-F757 HydrophobicContact CB-CB 3.75Å; A613-F757 HydrophobicContact CB-CD1 3.44Å; A613-F757 VanDerWaalsContact CB-CD1 3.44Å; A613-F757 HydrophobicContact CB-CD2 4.13Å; A613-F757 HydrophobicContact CB-CE1 3.99Å; A613-F757 HydrophobicContact CB-CG 3.49Å; A613-F757 VanDerWaalsContact CB-CG 3.49Å; A613-F761 HydrophobicContact CB-CD2 4.38Å; A613-F761 HydrophobicContact CB-CE2 4Å
614	F	98.5	Very high	97.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65.7	-39.2	177	-165.3	-103.2	0	0	0	112.1	F595 K610 L611 R616 F617 L618 L630 P672 V673 F761	F595-F614 AromaticContact CD2-CE2 3.98Å; F595-F614 HydrophobicContact CD2-CE2 3.98Å; F595-F614 HydrophobicContact CE2-CE2 4.29Å; F595-F614 HydrophobicContact CG-CE2 4.4Å; K610-F614 WeakPolarHBondContact O-CB 3.06Å; K610-F614 PolarHBondContact O-N 3.25Å; L611-F614 PolarHBondContact O-N 2.86Å; F614-R616 VanDerWaalsContact C-N 3.29Å; F614-R616 PolarHBondContact O-N 2.89Å; F614-F617 AromaticContact CD2-CD1 3.91Å; F614-F617 HydrophobicContact CD2-CD1 3.91Å; F614-F617 HydrophobicContact CD2-CE1 4.46Å; F614-F617 AromaticContact CE2-CD1 3.77Å; F614-F617 HydrophobicContact CE2-CD1 3.77Å; F614-F617 AromaticContact CE2-CE1 3.87Å; F614-F617 HydrophobicContact CE2-CE1 3.87Å; F614-F617 HydrophobicContact CZ-CD1 4.28Å; F614-F617 HydrophobicContact CZ-CE1 4.23Å; F614-F617 WeakPolarHBondContact O-CB 3.04Å; F614-F617 PolarHBondContact O-N 3.49Å; F614-L618 HydrophobicContact CD1-CD1 3.97Å; F614-L618 HydrophobicContact CD1-CG 4.43Å; F614-L618 HydrophobicContact CE1-CD1 3.77Å; F614-L618 HydrophobicContact CE1-CD2 4.49Å; F614-L618 HydrophobicContact CE1-CG 4.21Å; F614-L618 WeakPolarHBondContact O-CG 3.46Å; F614-L618 PolarHBondContact O-N 3.45Å; F614-L618 VanDerWaalsContact O-N 3.1Å; F614-L630 HydrophobicContact CB-CD2 4.02Å; F614-L630 HydrophobicContact CD1-CB 3.92Å; F614-L630 HydrophobicContact CD1-CD2 4.08Å; F614-L630 HydrophobicContact CD2-CB 4.09Å; F614-L630 HydrophobicContact CD2-CD2 4.2Å; F614-L630 HydrophobicContact CE1-CB 3.62Å; F614-L630 HydrophobicContact CE2-CB 3.82Å; F614-L630 HydrophobicContact CG-CB 4.13Å; F614-L630 HydrophobicContact CG-CD2 3.83Å; F614-L630 HydrophobicContact CZ-CB 3.58Å; F614-P672 HydrophobicContact CE1-CB 4.32Å; F614-P672 WeakPolarHBondContact CE1-O 3.47Å; F614-V673 HydrophobicContact CD1-CG2 3.75Å; F614-V673 HydrophobicContact CE1-CG2 3.98Å; F614-F761 HydrophobicContact CB-CE2 4.28Å; F614-F761 HydrophobicContact CB-CZ 4.3Å; F614-F761 AromaticContact CD2-CD1 3.76Å; F614-F761 HydrophobicContact CD2-CD1 3.76Å; F614-F761 HydrophobicContact CD2-CD2 4.45Å; F614-F761 AromaticContact CD2-CE1 3.68Å; F614-F761 HydrophobicContact CD2-CE1 3.68Å; F614-F761 HydrophobicContact CD2-CE2 4.38Å; F614-F761 HydrophobicContact CD2-CG 4.16Å; F614-F761 HydrophobicContact CD2-CZ 4.01Å; F614-F761 HydrophobicContact CE2-CD1 4.18Å; F614-F761 HydrophobicContact CE2-CE1 4.29Å
615	K	98.4	Very high	97.4	Very high	40 Å²	40	33.8 Å²	33.8	17%	0.174	16%	0.16	C	C	.	.	H	α-helix	trans	-56	-47.1	170	-177.6	173.4	-176.8	-76.8	0	110.8	L611 V612 A613 L618 E619 I658 F662	L611-K615 WeakPolarHBondContact O-CB 3.43Å; L611-K615 PolarHBondContact O-N 3.03Å; V612-K615 WeakPolarHBondContact O-CB 3.41Å; V612-K615 PolarHBondContact O-N 3.34Å; A613-K615 PolarHBondContact O-N 3.47Å; K615-L618 PolarHBondContact O-N 3.37Å; K615-E619 IonicContact NZ-OE1 3.13Å; K615-E619 PolarHBondContact NZ-OE1 3.48Å; K615-E619 WeakPolarHBondContact O-CG 3.15Å; K615-E619 PolarHBondContact O-N 3.36Å; K615-E619 VanDerWaalsContact O-N 3.11Å; K615-I658 HydrophobicContact CB-CD1 3.95Å; K615-I658 HydrophobicContact CB-CG1 3.84Å; K615-I658 HydrophobicContact CD-CG1 3.99Å; K615-I658 HydrophobicContact CG-CG1 4.04Å; K615-F662 HydrophobicContact CG-CE2 3.98Å; K615-F662 HydrophobicContact CG-CZ 4.15Å
616	R	98.3	Very high	97.2	Very high	76 Å²	76	32.8 Å²	32.8	29%	0.287	16%	0.157	S	C	.	.	H	α-helix	trans	-65.9	-39.8	-179	-178	58.2	173.4	159.1	2.8	112.5	V612 A613 F614 L618 E619 K620 T754 E755 A758	V612-R616 PolarHBondContact O-N 3.01Å; A613-R616 WeakPolarHBondContact O-CB 3.43Å; A613-R616 PolarHBondContact O-N 2.81Å; A613-R616 VanDerWaalsContact O-N 3.13Å; F614-R616 VanDerWaalsContact C-N 3.29Å; F614-R616 PolarHBondContact O-N 2.89Å; R616-L618 VanDerWaalsContact C-N 3.33Å; R616-L618 PolarHBondContact O-N 3.08Å; R616-E619 WeakPolarHBondContact CD-OE2 3.17Å; R616-E619 IonicContact NH1-OE2 3.76Å; R616-E619 PolarHBondContact NH1-OE2 3.33Å; R616-E619 VanDerWaalsContact NH1-OE2 3.13Å; R616-E619 WeakPolarHBondContact O-CB 3.45Å; R616-E619 PolarHBondContact O-N 3.36Å; R616-E619 VanDerWaalsContact O-N 3.16Å; R616-K620 HydrophobicContact CG-CD 4.22Å; R616-K620 WeakPolarHBondContact O-CG 3.19Å; R616-K620 PolarHBondContact O-N 3.17Å; R616-T754 HydrophobicContact CB-CG2 3.73Å; R616-T754 HydrophobicContact CG-CG2 4.02Å; R616-E755 IonicContact CZ-OE1 2.77Å; R616-E755 IonicContact NE-OE1 2.67Å; R616-E755 PolarHBondContact NE-OE1 3.14Å; R616-E755 IonicContact NE-OE2 3.14Å; R616-E755 IonicContact NH2-OE1 2.66Å; R616-E755 PolarHBondContact NH2-OE1 3.35Å; R616-E755 IonicContact NH2-OE2 2.71Å; R616-A758 HydrophobicContact CB-CB 3.85Å; R616-A758 HydrophobicContact CG-CB 3.71Å
617	F	98.3	Very high	97.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-54.3	-48.1	171.6	157.3	-108.7	0	0	0	111.5	A613 F614 E619 K620 H621 R624 D628 A758 F761 Y762	A613-F617 PolarHBondContact O-N 3.27Å; F614-F617 AromaticContact CD2-CD1 3.91Å; F614-F617 HydrophobicContact CD2-CD1 3.91Å; F614-F617 HydrophobicContact CD2-CE1 4.46Å; F614-F617 AromaticContact CE2-CD1 3.77Å; F614-F617 HydrophobicContact CE2-CD1 3.77Å; F614-F617 AromaticContact CE2-CE1 3.87Å; F614-F617 HydrophobicContact CE2-CE1 3.87Å; F614-F617 HydrophobicContact CZ-CD1 4.28Å; F614-F617 HydrophobicContact CZ-CE1 4.23Å; F614-F617 WeakPolarHBondContact O-CB 3.04Å; F614-F617 PolarHBondContact O-N 3.49Å; F617-E619 VanDerWaalsContact C-N 3.32Å; F617-E619 PolarHBondContact O-N 2.62Å; F617-K620 PolarHBondContact O-N 2.94Å; F617-H621 HydrophobicContact CD2-CB 4.49Å; F617-H621 AromaticContact CD2-CD2 3.85Å; F617-H621 HydrophobicContact CE2-CB 4.28Å; F617-H621 WeakPolarHBondContact O-CB 3.44Å; F617-H621 PolarHBondContact O-CD2 3.37Å; F617-H621 PolarHBondContact O-N 3.09Å; F617-R624 HydrophobicContact CE2-CG 4.18Å; F617-R624 HydrophobicContact CZ-CB 3.99Å; F617-R624 HydrophobicContact CZ-CG 3.91Å; F617-D628 HydrophobicContact CE1-CB 4.5Å; F617-D628 WeakPolarHBondContact CZ-OD2 3.39Å; F617-A758 HydrophobicContact CB-CB 4.17Å; F617-F761 HydrophobicContact CB-CB 3.98Å; F617-F761 HydrophobicContact CD1-CB 4.23Å; F617-F761 HydrophobicContact CD2-CB 3.82Å; F617-F761 HydrophobicContact CE2-CB 4.37Å; F617-F761 HydrophobicContact CG-CB 3.74Å; F617-Y762 HydrophobicContact CE2-CD2 4.07Å; F617-Y762 HydrophobicContact CE2-CG 4.49Å
618	L	98.1	Very high	97	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-66	-30.6	177.7	-65.4	171.8	0	0	0	113.3	F614 K615 R616 H625 I658 F662 W670 P672	F614-L618 HydrophobicContact CD1-CD1 3.97Å; F614-L618 HydrophobicContact CD1-CG 4.43Å; F614-L618 HydrophobicContact CE1-CD1 3.77Å; F614-L618 HydrophobicContact CE1-CD2 4.49Å; F614-L618 HydrophobicContact CE1-CG 4.21Å; F614-L618 WeakPolarHBondContact O-CG 3.46Å; F614-L618 PolarHBondContact O-N 3.45Å; F614-L618 VanDerWaalsContact O-N 3.1Å; K615-L618 PolarHBondContact O-N 3.37Å; R616-L618 VanDerWaalsContact C-N 3.33Å; R616-L618 PolarHBondContact O-N 3.08Å; L618-H625 PolarHBondContact O-NE2 3.32Å; L618-I658 HydrophobicContact CD1-CG2 4.11Å; L618-F662 HydrophobicContact CB-CD1 3.97Å; L618-F662 HydrophobicContact CB-CD2 4.17Å; L618-F662 HydrophobicContact CB-CE1 3.78Å; L618-F662 HydrophobicContact CB-CE2 4.02Å; L618-F662 HydrophobicContact CB-CG 4.16Å; L618-F662 HydrophobicContact CB-CZ 3.83Å; L618-F662 HydrophobicContact CD1-CD2 3.75Å; L618-F662 HydrophobicContact CD1-CE2 4.06Å; L618-F662 HydrophobicContact CD1-CG 4.15Å; L618-W670 HydrophobicContact CD2-CH2 4.41Å; L618-P672 HydrophobicContact CD1-CB 3.52Å; L618-P672 HydrophobicContact CD1-CG 4.32Å
619	E	98	Very high	97	Very high	77 Å²	77	31 Å²	31	36%	0.36	15%	0.15	S	C	.	.	H	α-helix	trans	-69.1	-40.6	173.7	-67.4	171.9	176.7	0	0	112.1	K615 R616 F617 F662	K615-E619 IonicContact NZ-OE1 3.13Å; K615-E619 PolarHBondContact NZ-OE1 3.48Å; K615-E619 WeakPolarHBondContact O-CG 3.15Å; K615-E619 PolarHBondContact O-N 3.36Å; K615-E619 VanDerWaalsContact O-N 3.11Å; R616-E619 WeakPolarHBondContact CD-OE2 3.17Å; R616-E619 IonicContact NH1-OE2 3.76Å; R616-E619 PolarHBondContact NH1-OE2 3.33Å; R616-E619 VanDerWaalsContact NH1-OE2 3.13Å; R616-E619 WeakPolarHBondContact O-CB 3.45Å; R616-E619 PolarHBondContact O-N 3.36Å; R616-E619 VanDerWaalsContact O-N 3.16Å; F617-E619 VanDerWaalsContact C-N 3.32Å; F617-E619 PolarHBondContact O-N 2.62Å; E619-F662 HydrophobicContact CG-CE1 3.97Å; E619-F662 HydrophobicContact CG-CZ 3.71Å
620	K	97.8	Very high	97.1	Very high	68 Å²	68	29.6 Å²	29.6	30%	0.296	14%	0.144	S	C	.	.	H	α-helix	trans	-75.8	-30	-178.2	-69.8	177.2	78.7	169.5	0	112.5	R616 F617 P622 E755 D759	R616-K620 HydrophobicContact CG-CD 4.22Å; R616-K620 WeakPolarHBondContact O-CG 3.19Å; R616-K620 PolarHBondContact O-N 3.17Å; F617-K620 PolarHBondContact O-N 2.94Å; K620-P622 VanDerWaalsContact C-CD 3.44Å; K620-P622 WeakPolarHBondContact O-CD 3.4Å; K620-E755 IonicContact NZ-OE2 3.54Å; K620-E755 PolarHBondContact NZ-OE2 2.83Å; K620-D759 WeakPolarHBondContact CE-OD1 3.43Å; K620-D759 VanDerWaalsContact NZ-CG 3.31Å; K620-D759 IonicContact NZ-OD1 3.57Å; K620-D759 PolarHBondContact NZ-OD1 3.42Å; K620-D759 IonicContact NZ-OD2 3.51Å; K620-D759 PolarHBondContact NZ-OD2 2.79Å
621	H	96.9	Very high	97.1	Very high	26 Å²	26	30 Å²	30	12%	0.12	15%	0.145	C	C	.	.			trans	-124.1	68.1	-172.2	-61.9	-73.5	0	0	0	113.5	F617 E623 R624 Y762	F617-H621 HydrophobicContact CD2-CB 4.49Å; F617-H621 AromaticContact CD2-CD2 3.85Å; F617-H621 HydrophobicContact CE2-CB 4.28Å; F617-H621 WeakPolarHBondContact O-CB 3.44Å; F617-H621 PolarHBondContact O-CD2 3.37Å; F617-H621 PolarHBondContact O-N 3.09Å; H621-E623 VanDerWaalsContact CA-OE2 3.25Å; H621-E623 WeakPolarHBondContact CA-OE2 3.44Å; H621-E623 WeakPolarHBondContact CB-OE1 3.3Å; H621-E623 IonicContact CG-OE1 2.89Å; H621-E623 IonicContact ND1-OE1 2.62Å; H621-E623 PolarHBondContact ND1-OE1 3.24Å; H621-E623 PolarHBondContact O-N 3.36Å; H621-E623 VanDerWaalsContact O-N 3.1Å; H621-R624 HydrophobicContact CB-CB 4.45Å; H621-R624 HydrophobicContact CB-CG 3.73Å; H621-R624 WeakPolarHBondContact O-CB 3.17Å; H621-R624 PolarHBondContact O-N 3.38Å; H621-Y762 HydrophobicContact CB-CD2 4.14Å; H621-Y762 HydrophobicContact CB-CE2 4.44Å; H621-Y762 AromaticContact CD2-CD2 3.68Å; H621-Y762 AromaticContact CD2-CG 3.79Å; H621-Y762 AromaticContact CE1-CD1 3.6Å; H621-Y762 AromaticContact CE1-CD2 3.43Å; H621-Y762 VanDerWaalsContact CE1-CD2 3.43Å; H621-Y762 WeakPolarHBondContact CE1-CD2 3.37Å; H621-Y762 AromaticContact CE1-CE1 3.78Å; H621-Y762 AromaticContact CE1-CE2 3.63Å; H621-Y762 AromaticContact CE1-CG 3.42Å; H621-Y762 VanDerWaalsContact CE1-CG 3.42Å; H621-Y762 AromaticContact CE1-CZ 3.8Å; H621-Y762 AromaticContact CG-CD2 3.42Å; H621-Y762 VanDerWaalsContact CG-CD2 3.42Å; H621-Y762 AromaticContact CG-CE2 3.83Å; H621-Y762 AromaticContact CG-CG 3.99Å; H621-Y762 AromaticContact ND1-CD2 3.27Å; H621-Y762 VanDerWaalsContact ND1-CD2 3.27Å; H621-Y762 WeakPolarHBondContact ND1-CD2 3.27Å; H621-Y762 AromaticContact ND1-CE2 3.27Å; H621-Y762 VanDerWaalsContact ND1-CE2 3.27Å; H621-Y762 WeakPolarHBondContact ND1-CE2 3.08Å; H621-Y762 AromaticContact ND1-CG 3.78Å; H621-Y762 AromaticContact ND1-CZ 3.78Å; H621-Y762 AromaticContact NE2-CD1 3.88Å; H621-Y762 AromaticContact NE2-CD2 3.7Å; H621-Y762 AromaticContact NE2-CG 3.43Å
622	P	95.3	Very high	97.1	Very high	75 Å²	75	30 Å²	30	49%	0.487	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-56.8	-24.3	177.5	-24	34.3	0	0	0	114.6	K620 R624 H625	K620-P622 VanDerWaalsContact C-CD 3.44Å; K620-P622 WeakPolarHBondContact O-CD 3.4Å; P622-R624 PolarHBondContact O-N 2.93Å; P622-R624 VanDerWaalsContact O-N 3.15Å; P622-H625 WeakPolarHBondContact O-CB 3.26Å; P622-H625 VanDerWaalsContact O-CG 3.29Å; P622-H625 PolarHBondContact O-N 3.1Å; P622-H625 VanDerWaalsContact O-N 3.13Å
623	E	94.6	Very high	97.1	Very high	104 Å²	104	27.7 Å²	27.7	49%	0.486	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-63.3	-14.1	174.4	72.4	-78.2	-176	0	0	114	H621 Y762	H621-E623 VanDerWaalsContact CA-OE2 3.25Å; H621-E623 WeakPolarHBondContact CA-OE2 3.44Å; H621-E623 WeakPolarHBondContact CB-OE1 3.3Å; H621-E623 IonicContact CG-OE1 2.89Å; H621-E623 IonicContact ND1-OE1 2.62Å; H621-E623 PolarHBondContact ND1-OE1 3.24Å; H621-E623 PolarHBondContact O-N 3.36Å; H621-E623 VanDerWaalsContact O-N 3.1Å; E623-Y762 WeakPolarHBondContact OE1-CE2 3.15Å
624	R	94.6	Very high	97	Very high	21 Å²	21	27.7 Å²	27.7	8%	0.079	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-94.1	-4.9	177.9	-52.5	-58.8	-60.8	-178.2	7.1	113.1	K591 F617 H621 P622 I627 D628	K591-R624 PolarHBondContact O-NH2 2.84Å; F617-R624 HydrophobicContact CE2-CG 4.18Å; F617-R624 HydrophobicContact CZ-CB 3.99Å; F617-R624 HydrophobicContact CZ-CG 3.91Å; H621-R624 HydrophobicContact CB-CB 4.45Å; H621-R624 HydrophobicContact CB-CG 3.73Å; H621-R624 WeakPolarHBondContact O-CB 3.17Å; H621-R624 PolarHBondContact O-N 3.38Å; P622-R624 PolarHBondContact O-N 2.93Å; P622-R624 VanDerWaalsContact O-N 3.15Å; R624-I627 WeakPolarHBondContact O-CG1 3.48Å; R624-I627 PolarHBondContact O-N 3.22Å; R624-D628 IonicContact CZ-OD1 2.89Å; R624-D628 IonicContact CZ-OD2 2.7Å; R624-D628 IonicContact NE-OD1 2.66Å; R624-D628 IonicContact NE-OD2 3.71Å; R624-D628 PolarHBondContact NE-OD2 3.01Å; R624-D628 IonicContact NH2-OD1 3.62Å; R624-D628 PolarHBondContact NH2-OD1 2.86Å; R624-D628 IonicContact NH2-OD2 2.74Å; R624-D628 PolarHBondContact NH2-OD2 3.05Å; R624-D628 PolarHBondContact O-N 3.39Å
625	H	94.8	Very high	96.8	Very high	45 Å²	45	30.4 Å²	30.4	21%	0.208	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	141.3	176.3	-63.7	177.7	0	0	0	110.8	L618 P622 I627 F662 W670	L618-H625 PolarHBondContact O-NE2 3.32Å; P622-H625 WeakPolarHBondContact O-CB 3.26Å; P622-H625 VanDerWaalsContact O-CG 3.29Å; P622-H625 PolarHBondContact O-N 3.1Å; P622-H625 VanDerWaalsContact O-N 3.13Å; H625-I627 PolarHBondContact O-N 2.9Å; H625-F662 AromaticContact CE1-CD1 3.73Å; H625-F662 AromaticContact NE2-CD1 3.6Å; H625-W670 HydrophobicContact CB-CH2 4.01Å; H625-W670 HydrophobicContact CB-CZ3 4.06Å
626	G	92.8	Very high	96.5	Very high	3 Å²	3	31.2 Å²	31.2	3%	0.031	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	-13.4	-179.2	0	0	0	0	0	115.7	R667 W670	G626-R667 WeakPolarHBondContact O-CD 3.38Å; G626-R667 PolarHBondContact O-NH1 2.76Å; G626-W670 VanDerWaalsContact CA-CD2 3.41Å; G626-W670 VanDerWaalsContact N-CE2 3.34Å
627	I	94.3	Very high	95.9	Very high	35 Å²	35	29 Å²	29	18%	0.179	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-34.9	-172.9	62	168.1	0	0	0	114.7	K591 G592 R624 H625	K591-I627 HydrophobicContact CB-CD1 4.05Å; G592-I627 WeakPolarHBondContact CA-O 3.1Å; R624-I627 WeakPolarHBondContact O-CG1 3.48Å; R624-I627 PolarHBondContact O-N 3.22Å; H625-I627 PolarHBondContact O-N 2.9Å
628	D	97.3	Very high	95.2	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.162	C	C	.	.			trans	-98.4	143.1	-178.9	-70	-11.1	0	0	0	111.6	K593 F595 F617 R624 W670	K593-D628 WeakPolarHBondContact CB-OD1 3.3Å; K593-D628 PolarHBondContact N-OD1 3.05Å; K593-D628 WeakPolarHBondContact O-CA 3.5Å; F595-D628 HydrophobicContact CE2-CB 4.19Å; F617-D628 HydrophobicContact CE1-CB 4.5Å; F617-D628 WeakPolarHBondContact CZ-OD2 3.39Å; R624-D628 IonicContact CZ-OD1 2.89Å; R624-D628 IonicContact CZ-OD2 2.7Å; R624-D628 IonicContact NE-OD1 2.66Å; R624-D628 IonicContact NE-OD2 3.71Å; R624-D628 PolarHBondContact NE-OD2 3.01Å; R624-D628 IonicContact NH2-OD1 3.62Å; R624-D628 PolarHBondContact NH2-OD1 2.86Å; R624-D628 IonicContact NH2-OD2 2.74Å; R624-D628 PolarHBondContact NH2-OD2 3.05Å; R624-D628 PolarHBondContact O-N 3.39Å; D628-W670 VanDerWaalsContact O-CZ2 3.32Å; D628-W670 WeakPolarHBondContact O-CZ2 3.19Å; D628-W670 PolarHBondContact O-NE1 3.45Å
629	V	98.1	Very high	94.5	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.012	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	131	179.4	177.1	0	0	0	0	109.3	I586 K593 F595 V674	I586-V629 HydrophobicContact CD1-CB 4.21Å; I586-V629 HydrophobicContact CD1-CG2 4.16Å; K593-V629 PolarHBondContact O-N 3.31Å; K593-V629 VanDerWaalsContact O-N 3.08Å; F595-V629 PolarHBondContact N-O 2.9Å; V629-V674 HydrophobicContact CG1-CG2 4.04Å
630	L	98.6	Very high	93.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	111.7	163.8	175.6	63.8	0	0	0	109.5	F595 L611 F614 P672 V673 V674	F595-L630 HydrophobicContact CB-CB 4.43Å; F595-L630 HydrophobicContact CB-CD1 3.83Å; L611-L630 HydrophobicContact CD2-CD2 4.25Å; F614-L630 HydrophobicContact CB-CD2 4.02Å; F614-L630 HydrophobicContact CD1-CB 3.92Å; F614-L630 HydrophobicContact CD1-CD2 4.08Å; F614-L630 HydrophobicContact CD2-CB 4.09Å; F614-L630 HydrophobicContact CD2-CD2 4.2Å; F614-L630 HydrophobicContact CE1-CB 3.62Å; F614-L630 HydrophobicContact CE2-CB 3.82Å; F614-L630 HydrophobicContact CG-CB 4.13Å; F614-L630 HydrophobicContact CG-CD2 3.83Å; F614-L630 HydrophobicContact CZ-CB 3.58Å; L630-P672 PolarHBondContact N-O 3.41Å; L630-V673 HydrophobicContact CB-CG2 4.38Å; L630-V673 HydrophobicContact CD2-CG2 4.49Å; L630-V673 CarbonylContact O-C 3.56Å; L630-V673 WeakPolarHBondContact O-CA 3.32Å; L630-V674 PolarHBondContact O-N 2.93Å
631	F	98.5	Very high	93.2	Very high	8 Å²	8	39.5 Å²	39.5	4%	0.035	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	105.2	172.4	-164.1	-70.8	0	0	0	109.1	Y585 F594 F595 F596 S597 V633 V674 Q676 L680 H688	Y585-F631 HydrophobicContact CD2-CD2 4.25Å; Y585-F631 HydrophobicContact CD2-CE2 4.38Å; Y585-F631 HydrophobicContact CE1-CD2 4.39Å; Y585-F631 HydrophobicContact CE1-CE2 4.24Å; Y585-F631 AromaticContact CE2-CD2 3.91Å; Y585-F631 HydrophobicContact CE2-CD2 3.91Å; Y585-F631 AromaticContact CE2-CE2 3.6Å; Y585-F631 HydrophobicContact CE2-CE2 3.6Å; Y585-F631 AromaticContact CZ-CE2 3.53Å; F594-F631 HydrophobicContact CE1-CB 3.99Å; F594-F631 HydrophobicContact CE1-CG 4.5Å; F594-F631 HydrophobicContact CE2-CB 3.9Å; F594-F631 HydrophobicContact CE2-CD2 4.15Å; F594-F631 HydrophobicContact CE2-CG 4.31Å; F594-F631 HydrophobicContact CZ-CB 3.45Å; F594-F631 VanDerWaalsContact CZ-CB 3.45Å; F594-F631 AromaticContact CZ-CD2 3.86Å; F594-F631 HydrophobicContact CZ-CD2 3.86Å; F594-F631 AromaticContact CZ-CG 3.71Å; F594-F631 HydrophobicContact CZ-CG 3.71Å; F595-F631 PolarHBondContact O-N 3.12Å; F596-F631 HydrophobicContact CD2-CB 4.14Å; F596-F631 AromaticContact CD2-CD1 3.82Å; F596-F631 HydrophobicContact CD2-CD1 3.82Å; F596-F631 HydrophobicContact CD2-CG 4.32Å; F596-F631 WeakPolarHBondContact CD2-O 3.5Å; F596-F631 AromaticContact CE2-CD1 3.65Å; F596-F631 HydrophobicContact CE2-CD1 3.65Å; F596-F631 HydrophobicContact CE2-CE1 4.18Å; S597-F631 PolarHBondContact N-O 3.02Å; F631-V633 HydrophobicContact CD1-CG2 4.05Å; F631-V633 HydrophobicContact CE1-CG2 3.65Å; F631-V674 HydrophobicContact CD2-CB 3.72Å; F631-V674 HydrophobicContact CD2-CG1 3.72Å; F631-V674 HydrophobicContact CD2-CG2 4.35Å; F631-V674 HydrophobicContact CE2-CB 4.06Å; F631-V674 HydrophobicContact CE2-CG1 3.49Å; F631-V674 VanDerWaalsContact CE2-CG1 3.49Å; F631-V674 HydrophobicContact CG-CB 4.33Å; F631-V674 HydrophobicContact CZ-CG1 4.16Å; F631-Q676 HydrophobicContact CE1-CB 4.25Å; F631-Q676 HydrophobicContact CZ-CB 4.39Å; F631-L680 HydrophobicContact CE1-CD1 4.48Å; F631-H688 AromaticContact CD1-CD2 3.97Å; F631-H688 AromaticContact CE1-CD2 3.83Å; F631-H688 AromaticContact CE1-NE2 3.67Å; F631-H688 AromaticContact CE2-NE2 3.93Å; F631-H688 AromaticContact CZ-NE2 3.5Å; F631-H688 WeakPolarHBondContact CZ-NE2 3.43Å
632	Q	98.4	Very high	92.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	112.1	-179.2	176.4	71.7	62.9	0	0	109.8	S597 E599 I607 A634 V674 L675 Q676	S597-Q632 PolarHBondContact OG-NE2 3.44Å; S597-Q632 PolarHBondContact OG-OE1 3.23Å; E599-Q632 PolarHBondContact OE1-NE2 2.96Å; I607-Q632 HydrophobicContact CG2-CG 4.27Å; Q632-A634 HydrophobicContact CG-CB 4.29Å; Q632-V674 PolarHBondContact N-O 3.43Å; Q632-L675 HydrophobicContact CB-CD1 4.26Å; Q632-L675 HydrophobicContact CG-CD1 3.91Å; Q632-L675 WeakPolarHBondContact O-CA 3.32Å; Q632-Q676 PolarHBondContact O-N 3.09Å
633	V	98.2	Very high	92.5	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.006	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	120.4	163.5	-177.5	0	0	0	0	107.9	F596 S597 C598 E599 F631 V635 Q676 L680	F596-V633 HydrophobicContact CE2-CG2 3.82Å; F596-V633 HydrophobicContact CZ-CG2 4.08Å; S597-V633 PolarHBondContact O-N 3.31Å; C598-V633 WeakPolarHBondContact CA-O 3.23Å; C598-V633 HydrophobicContact CB-CB 4.09Å; E599-V633 PolarHBondContact N-O 3.29Å; F631-V633 HydrophobicContact CD1-CG2 4.05Å; F631-V633 HydrophobicContact CE1-CG2 3.65Å; V633-V635 HydrophobicContact CG1-CG2 4.25Å; V633-Q676 WeakPolarHBondContact CA-O 3.49Å; V633-Q676 HydrophobicContact CG2-CB 4.34Å; V633-L680 HydrophobicContact CG2-CD1 3.65Å; V633-L680 HydrophobicContact CG2-CG 4.19Å
634	A	96.8	Very high	92.4	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	88.8	179.3	0	0	0	0	0	109.1	E599 F601 I607 Q632 T636 L675 Q676 T677	E599-A634 WeakPolarHBondContact O-CA 3.16Å; F601-A634 HydrophobicContact CB-CB 4.07Å; F601-A634 HydrophobicContact CD1-CB 3.8Å; F601-A634 WeakPolarHBondContact CD1-O 3.43Å; F601-A634 HydrophobicContact CD2-CB 4.2Å; F601-A634 HydrophobicContact CE1-CB 4.26Å; F601-A634 HydrophobicContact CG-CB 3.76Å; I607-A634 HydrophobicContact CD1-CB 3.87Å; Q632-A634 HydrophobicContact CG-CB 4.29Å; A634-T636 PolarHBondContact O-N 3.04Å; A634-L675 HydrophobicContact CB-CD1 3.9Å; A634-Q676 PolarHBondContact N-O 2.78Å; A634-T677 WeakPolarHBondContact O-CA 3.18Å
635	V	94.1	Very high	92.3	Very high	57 Å²	57	41.5 Å²	41.5	35%	0.345	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	118.4	-172.8	-172.1	0	0	0	0	110.5	E599 F601 V633 N637 T677	E599-V635 PolarHBondContact O-N 2.9Å; F601-V635 WeakPolarHBondContact CB-O 3.49Å; F601-V635 PolarHBondContact N-O 2.88Å; V633-V635 HydrophobicContact CG1-CG2 4.25Å; V635-N637 PolarHBondContact O-N 3.21Å; V635-N637 PolarHBondContact O-OD1 3.26Å; V635-T677 WeakPolarHBondContact CA-O 3.12Å
636	T	92.7	Very high	92.3	Very high	57 Å²	57	43.2 Å²	43.2	35%	0.35	23%	0.227	S	C	.	.			trans	-59.3	124.7	-178.7	-58.8	0	0	0	0	110.6	A634 R639 T677	A634-T636 PolarHBondContact O-N 3.04Å; T636-R639 HydrophobicContact CG2-CB 4.26Å; T636-T677 PolarHBondContact N-O 3.29Å
637	N	85.2	Confident	92.5	Very high	29 Å²	29	43.4 Å²	43.4	16%	0.155	23%	0.227	C	C	.	.			trans	-139.7	147.4	177.8	63.4	-65.9	0	0	0	110.8	F601 V635 R639 Q648	F601-N637 VanDerWaalsContact C-OD1 3.28Å; F601-N637 PolarHBondContact N-OD1 2.63Å; F601-N637 VanDerWaalsContact N-OD1 3.07Å; F601-N637 PolarHBondContact O-OD1 2.95Å; V635-N637 PolarHBondContact O-N 3.21Å; V635-N637 PolarHBondContact O-OD1 3.26Å; N637-R639 PolarHBondContact O-N 3.07Å; N637-R639 VanDerWaalsContact O-N 3.1Å; N637-Q648 PolarHBondContact O-NE2 3.44Å
638	R	84.5	Confident	92.6	Very high	64 Å²	64	42 Å²	42	24%	0.242	22%	0.22	C	C	.	.			trans	54.2	31.4	170.9	-58.3	176.7	178.3	178.1	-8.8	115	Y394 N399 A640 V641 Y644	Y394-R638 PolarHBondContact OH-NH2 2.93Å; N399-R638 VanDerWaalsContact CG-CZ 3.45Å; N399-R638 VanDerWaalsContact CG-NH1 3.26Å; N399-R638 VanDerWaalsContact CG-NH2 3.29Å; N399-R638 PolarHBondContact ND2-NH2 3.21Å; N399-R638 PolarHBondContact OD1-NH1 3.36Å; N399-R638 PolarHBondContact OD1-NH2 3.08Å; R638-A640 PolarHBondContact O-N 3.23Å; R638-V641 HydrophobicContact CB-CG2 4.32Å; R638-V641 WeakPolarHBondContact O-CB 3.46Å; R638-V641 PolarHBondContact O-N 3.48Å; R638-Y644 HydrophobicContact CB-CD1 4.03Å; R638-Y644 HydrophobicContact CB-CD2 4.36Å; R638-Y644 HydrophobicContact CB-CE1 4.27Å; R638-Y644 HydrophobicContact CB-CG 4.06Å; R638-Y644 PolarHBondContact NH1-OH 2.82Å
639	R	83.9	Confident	92.6	Very high	136 Å²	136	45.2 Å²	45.2	51%	0.513	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-15.6	-179.1	-163.1	170.5	-171.3	-171.6	5.3	114.4	T636 N637 V641 R645 D649	T636-R639 HydrophobicContact CG2-CB 4.26Å; N637-R639 PolarHBondContact O-N 3.07Å; N637-R639 VanDerWaalsContact O-N 3.1Å; R639-V641 PolarHBondContact O-N 3.15Å; R639-R645 HydrophobicContact CG-CB 4.3Å; R639-R645 HydrophobicContact CG-CG 4.26Å; R639-D649 IonicContact CZ-OD1 3.29Å; R639-D649 IonicContact NH2-OD1 2.95Å; R639-D649 PolarHBondContact NH2-OD1 3.17Å
640	A	82.2	Confident	92.6	Very high	102 Å²	102	47.8 Å²	47.8	84%	0.843	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-20.5	171	0	0	0	0	0	113.5	R638	R638-A640 PolarHBondContact O-N 3.23Å
641	V	84.5	Confident	92.6	Very high	64 Å²	64	47.8 Å²	47.8	39%	0.388	26%	0.255	S	S	.	.	S	Bend	trans	-86.3	124.8	176.6	-177.1	0	0	0	0	108.8	R638 R639 S643 Y644 R645	R638-V641 HydrophobicContact CB-CG2 4.32Å; R638-V641 WeakPolarHBondContact O-CB 3.46Å; R638-V641 PolarHBondContact O-N 3.48Å; R639-V641 PolarHBondContact O-N 3.15Å; V641-S643 PolarHBondContact O-N 3.34Å; V641-Y644 HydrophobicContact CB-CD2 3.89Å; V641-Y644 HydrophobicContact CG1-CD2 3.84Å; V641-Y644 HydrophobicContact CG1-CE2 4.49Å; V641-Y644 PolarHBondContact O-N 3.49Å; V641-Y644 VanDerWaalsContact O-N 3.11Å; V641-R645 PolarHBondContact O-N 2.87Å
642	E	87.6	Confident	92.5	Very high	127 Å²	127	49.3 Å²	49.3	59%	0.593	27%	0.266	S	S	*	.	H	α-helix	trans	-52.7	-49.5	-175.7	-177.4	177.4	-154.5	0	0	112.5	Y644 R645 D646	E642-Y644 VanDerWaalsContact C-N 3.28Å; E642-Y644 PolarHBondContact O-N 2.93Å; E642-R645 PolarHBondContact O-N 3.24Å; E642-R645 VanDerWaalsContact O-N 3.13Å; E642-D646 WeakPolarHBondContact O-CB 3.38Å; E642-D646 VanDerWaalsContact O-CG 3.24Å; E642-D646 PolarHBondContact O-N 3.44Å
643	S	90.2	Very high	92.5	Very high	35 Å²	35	52.1 Å²	52.1	25%	0.245	29%	0.29	C	S	.	.	H	α-helix	trans	-62.5	-30.9	-178.8	60.4	0	0	0	0	114.2	V641 Y647	V641-S643 PolarHBondContact O-N 3.34Å; S643-Y647 WeakPolarHBondContact O-CB 3.2Å; S643-Y647 PolarHBondContact O-N 2.99Å
644	Y	92.4	Very high	92.5	Very high	4 Å²	4	53.3 Å²	53.3	2%	0.016	30%	0.296	C	S	.	.	H	α-helix	trans	-74.6	-46	173.5	-80.7	-103.9	0	0	0	111	D602 Y603 R638 V641 E642 D646 Y647 Q648	D602-Y644 HydrophobicContact CB-CE1 4.15Å; D602-Y644 VanDerWaalsContact OD2-CE1 3.26Å; D602-Y644 WeakPolarHBondContact OD2-CE1 3.46Å; D602-Y644 PolarHBondContact OD2-OH 2.86Å; Y603-Y644 HydrophobicContact CD1-CD2 4.33Å; Y603-Y644 HydrophobicContact CD1-CE1 4.49Å; Y603-Y644 HydrophobicContact CD1-CE2 4.18Å; Y603-Y644 AromaticContact CE1-CD2 3.85Å; Y603-Y644 HydrophobicContact CE1-CD2 3.85Å; Y603-Y644 HydrophobicContact CE1-CE1 4.35Å; Y603-Y644 AromaticContact CE1-CE2 3.4Å; Y603-Y644 HydrophobicContact CE1-CE2 3.4Å; Y603-Y644 HydrophobicContact CE1-CG 4.49Å; Y603-Y644 AromaticContact CE1-CZ 3.68Å; R638-Y644 HydrophobicContact CB-CD1 4.03Å; R638-Y644 HydrophobicContact CB-CD2 4.36Å; R638-Y644 HydrophobicContact CB-CE1 4.27Å; R638-Y644 HydrophobicContact CB-CG 4.06Å; R638-Y644 PolarHBondContact NH1-OH 2.82Å; V641-Y644 HydrophobicContact CB-CD2 3.89Å; V641-Y644 HydrophobicContact CG1-CD2 3.84Å; V641-Y644 HydrophobicContact CG1-CE2 4.49Å; V641-Y644 PolarHBondContact O-N 3.49Å; V641-Y644 VanDerWaalsContact O-N 3.11Å; E642-Y644 VanDerWaalsContact C-N 3.28Å; E642-Y644 PolarHBondContact O-N 2.93Å; Y644-D646 PolarHBondContact O-N 3.25Å; Y644-Y647 PolarHBondContact O-N 3.07Å; Y644-Q648 WeakPolarHBondContact O-CB 3.43Å; Y644-Q648 WeakPolarHBondContact O-CG 3.25Å; Y644-Q648 PolarHBondContact O-N 2.81Å
645	R	93.8	Very high	92.6	Very high	102 Å²	102	53.7 Å²	53.7	39%	0.385	30%	0.298	S	S	.	.	H	α-helix	trans	-59	-48.6	178.8	-177.9	179.1	63.1	-153.8	-4	111.2	R639 V641 E642 Y647 Q648 D649	R639-R645 HydrophobicContact CG-CB 4.3Å; R639-R645 HydrophobicContact CG-CG 4.26Å; V641-R645 PolarHBondContact O-N 2.87Å; E642-R645 PolarHBondContact O-N 3.24Å; E642-R645 VanDerWaalsContact O-N 3.13Å; R645-Y647 VanDerWaalsContact C-N 3.31Å; R645-Y647 PolarHBondContact O-N 3.06Å; R645-Q648 PolarHBondContact O-N 3.44Å; R645-D649 WeakPolarHBondContact O-CB 3.28Å; R645-D649 VanDerWaalsContact O-CG 3.29Å; R645-D649 PolarHBondContact O-N 2.99Å
646	D	94.3	Very high	92.7	Very high	81 Å²	81	56.1 Å²	56.1	43%	0.433	31%	0.309	S	S	.	.	H	α-helix	trans	-62.6	-40.8	-178.5	-66.3	-5.6	0	0	0	111.4	E642 Y644 C650	E642-D646 WeakPolarHBondContact O-CB 3.38Å; E642-D646 VanDerWaalsContact O-CG 3.24Å; E642-D646 PolarHBondContact O-N 3.44Å; Y644-D646 PolarHBondContact O-N 3.25Å; D646-C650 WeakPolarHBondContact O-CB 3.43Å; D646-C650 PolarHBondContact O-N 2.87Å
647	Y	96	Very high	93	Very high	8 Å²	8	58.9 Å²	58.9	3%	0.031	32%	0.316	C	S	.	.	H	α-helix	trans	-65.4	-43.5	174.8	177.6	-98.5	0	0	0	112.3	F601 I607 K608 S643 Y644 R645 C650 C651	F601-Y647 HydrophobicContact CD2-CD1 4.39Å; F601-Y647 HydrophobicContact CD2-CE1 4.2Å; F601-Y647 HydrophobicContact CE2-CD1 4.41Å; F601-Y647 HydrophobicContact CE2-CE1 4.24Å; I607-Y647 WeakPolarHBondContact CB-OH 3.11Å; I607-Y647 PolarHBondContact N-OH 2.97Å; K608-Y647 HydrophobicContact CB-CE2 3.7Å; K608-Y647 HydrophobicContact CD-CE2 4.43Å; K608-Y647 PolarHBondContact N-OH 3.08Å; K608-Y647 VanDerWaalsContact N-OH 3.17Å; S643-Y647 WeakPolarHBondContact O-CB 3.2Å; S643-Y647 PolarHBondContact O-N 2.99Å; Y644-Y647 PolarHBondContact O-N 3.07Å; R645-Y647 VanDerWaalsContact C-N 3.31Å; R645-Y647 PolarHBondContact O-N 3.06Å; Y647-C650 PolarHBondContact O-N 2.86Å; Y647-C651 PolarHBondContact O-N 3.49Å; Y647-C651 PolarHBondContact O-SG 3.19Å
648	Q	97.5	Very high	93.6	Very high	4 Å²	4	57.5 Å²	57.5	2%	0.019	31%	0.309	C	S	.	.	H	α-helix	trans	-64.3	-46	178.8	-73.8	166.7	5.4	0	0	112.1	F601 N637 Y644 R645 C650 C651 S652	F601-Q648 HydrophobicContact CB-CG 4.2Å; F601-Q648 HydrophobicContact CD1-CB 4.45Å; F601-Q648 HydrophobicContact CD1-CG 3.92Å; F601-Q648 HydrophobicContact CD2-CB 4.39Å; F601-Q648 HydrophobicContact CD2-CG 3.6Å; F601-Q648 HydrophobicContact CE1-CB 4.24Å; F601-Q648 HydrophobicContact CE1-CG 4.18Å; F601-Q648 HydrophobicContact CE2-CB 4.19Å; F601-Q648 HydrophobicContact CE2-CG 3.9Å; F601-Q648 HydrophobicContact CG-CG 3.63Å; F601-Q648 HydrophobicContact CZ-CB 4.11Å; F601-Q648 HydrophobicContact CZ-CG 4.17Å; F601-Q648 PolarHBondContact O-NE2 3.2Å; N637-Q648 PolarHBondContact O-NE2 3.44Å; Y644-Q648 WeakPolarHBondContact O-CB 3.43Å; Y644-Q648 WeakPolarHBondContact O-CG 3.25Å; Y644-Q648 PolarHBondContact O-N 2.81Å; R645-Q648 PolarHBondContact O-N 3.44Å; Q648-C650 VanDerWaalsContact C-N 3.35Å; Q648-C651 PolarHBondContact O-N 2.96Å; Q648-S652 WeakPolarHBondContact O-CB 3.48Å; Q648-S652 PolarHBondContact O-N 3.43Å; Q648-S652 PolarHBondContact O-OG 3.22Å
649	D	97.5	Very high	94.2	Very high	68 Å²	68	56.4 Å²	56.4	36%	0.364	31%	0.308	S	S	.	.	H	α-helix	trans	-66.1	-39.5	177.8	-67.7	-15.9	0	0	0	110.3	R639 R645 S652 A653	R639-D649 IonicContact CZ-OD1 3.29Å; R639-D649 IonicContact NH2-OD1 2.95Å; R639-D649 PolarHBondContact NH2-OD1 3.17Å; R645-D649 WeakPolarHBondContact O-CB 3.28Å; R645-D649 VanDerWaalsContact O-CG 3.29Å; R645-D649 PolarHBondContact O-N 2.99Å; D649-S652 PolarHBondContact O-N 2.97Å; D649-A653 WeakPolarHBondContact O-CB 3.26Å; D649-A653 PolarHBondContact O-N 3.32Å
650	C	97.5	Very high	94.8	Very high	56 Å²	56	54.4 Å²	54.4	38%	0.378	32%	0.315	S	S	.	.	H	α-helix	trans	-60.7	-45.5	174.1	-177.3	0	0	0	0	112.4	D646 Y647 Q648 L654	D646-C650 WeakPolarHBondContact O-CB 3.43Å; D646-C650 PolarHBondContact O-N 2.87Å; Y647-C650 PolarHBondContact O-N 2.86Å; Q648-C650 VanDerWaalsContact C-N 3.35Å; C650-L654 WeakPolarHBondContact O-CB 3.17Å; C650-L654 PolarHBondContact O-N 3.01Å
651	C	98.1	Very high	95.4	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.007	30%	0.297	C	S	.	.	H	α-helix	trans	-64.9	-42.3	176.9	-69.6	0	0	0	0	111.9	F601 L611 Y647 Q648 L654 V655	F601-C651 HydrophobicContact CE2-CB 3.59Å; F601-C651 HydrophobicContact CZ-CB 3.62Å; L611-C651 HydrophobicContact CD1-CB 4.13Å; Y647-C651 PolarHBondContact O-N 3.49Å; Y647-C651 PolarHBondContact O-SG 3.19Å; Q648-C651 PolarHBondContact O-N 2.96Å; C651-L654 WeakPolarHBondContact O-CB 3.32Å; C651-L654 PolarHBondContact O-N 2.74Å; C651-V655 WeakPolarHBondContact O-CG2 3.36Å; C651-V655 PolarHBondContact O-N 2.76Å
652	S	97.5	Very high	96	Very high	39 Å²	39	50.5 Å²	50.5	27%	0.273	28%	0.282	S	S	.	.	H	α-helix	trans	-62.7	-46.3	179.1	-56.7	0	0	0	0	111.4	Q648 D649 L654 V655 D656	Q648-S652 WeakPolarHBondContact O-CB 3.48Å; Q648-S652 PolarHBondContact O-N 3.43Å; Q648-S652 PolarHBondContact O-OG 3.22Å; D649-S652 PolarHBondContact O-N 2.97Å; S652-L654 VanDerWaalsContact C-N 3.26Å; S652-L654 PolarHBondContact O-N 3.07Å; S652-V655 WeakPolarHBondContact O-CB 3.34Å; S652-V655 PolarHBondContact O-N 2.8Å; S652-V655 VanDerWaalsContact O-N 3.15Å; S652-D656 PolarHBondContact O-N 2.56Å; S652-D656 VanDerWaalsContact O-N 3.07Å
653	A	98.1	Very high	96.2	Very high	60 Å²	60	48.6 Å²	48.6	50%	0.496	28%	0.283	S	S	.	.	H	α-helix	trans	-61.7	-33.7	174.7	0	0	0	0	0	112.6	D649 K657	D649-A653 WeakPolarHBondContact O-CB 3.26Å; D649-A653 PolarHBondContact O-N 3.32Å; A653-K657 WeakPolarHBondContact O-CB 3.28Å; A653-K657 PolarHBondContact O-N 3.42Å
654	L	98.2	Very high	96.1	Very high	26 Å²	26	48.5 Å²	48.5	14%	0.136	28%	0.279	C	S	.	.	H	α-helix	trans	-68.5	-39.9	175.2	-178.5	58.9	0	0	0	111.9	L611 V612 C650 C651 S652 K657 I658	L611-L654 HydrophobicContact CB-CD2 3.49Å; L611-L654 VanDerWaalsContact CB-CD2 3.49Å; L611-L654 HydrophobicContact CB-CG 4.07Å; L611-L654 HydrophobicContact CD1-CD2 4.25Å; V612-L654 HydrophobicContact CG2-CD2 3.64Å; C650-L654 WeakPolarHBondContact O-CB 3.17Å; C650-L654 PolarHBondContact O-N 3.01Å; C651-L654 WeakPolarHBondContact O-CB 3.32Å; C651-L654 PolarHBondContact O-N 2.74Å; S652-L654 VanDerWaalsContact C-N 3.26Å; S652-L654 PolarHBondContact O-N 3.07Å; L654-K657 WeakPolarHBondContact O-CB 3.29Å; L654-K657 PolarHBondContact O-N 2.95Å; L654-I658 HydrophobicContact CD1-CD1 4.37Å; L654-I658 HydrophobicContact CD1-CG1 4.44Å; L654-I658 HydrophobicContact CG-CD1 4.13Å; L654-I658 VanDerWaalsContact O-CG1 3.27Å; L654-I658 WeakPolarHBondContact O-CG1 3.43Å; L654-I658 PolarHBondContact O-N 2.84Å
655	V	98.3	Very high	95.9	Very high	7 Å²	7	54 Å²	54	4%	0.042	32%	0.315	C	S	.	.	H	α-helix	trans	-60.9	-46.3	174	171.6	0	0	0	0	111.1	L611 C651 S652 K657 I658 N659 V673 L675	L611-V655 HydrophobicContact CD1-CG2 3.73Å; L611-V655 HydrophobicContact CD2-CG2 3.77Å; L611-V655 HydrophobicContact CG-CG2 4.41Å; C651-V655 WeakPolarHBondContact O-CG2 3.36Å; C651-V655 PolarHBondContact O-N 2.76Å; S652-V655 WeakPolarHBondContact O-CB 3.34Å; S652-V655 PolarHBondContact O-N 2.8Å; S652-V655 VanDerWaalsContact O-N 3.15Å; V655-K657 VanDerWaalsContact C-N 3.28Å; V655-K657 PolarHBondContact O-N 3.17Å; V655-I658 PolarHBondContact O-N 3.33Å; V655-N659 WeakPolarHBondContact CG1-ND2 3.26Å; V655-N659 WeakPolarHBondContact O-CB 3.28Å; V655-N659 PolarHBondContact O-N 3.1Å; V655-N659 PolarHBondContact O-ND2 2.65Å; V655-V673 HydrophobicContact CG1-CB 4.22Å; V655-V673 HydrophobicContact CG1-CG1 4.02Å; V655-V673 HydrophobicContact CG2-CG1 3.99Å; V655-L675 HydrophobicContact CG1-CB 4.16Å; V655-L675 HydrophobicContact CG2-CB 4.26Å; V655-L675 HydrophobicContact CG2-CD2 4.11Å
656	D	97.9	Very high	95.5	Very high	109 Å²	109	58.3 Å²	58.3	58%	0.583	34%	0.337	S	S	*	.	H	α-helix	trans	-60.8	-39.7	176.5	-70.4	-24.1	0	0	0	111.9	S652 S660	S652-D656 PolarHBondContact O-N 2.56Å; S652-D656 VanDerWaalsContact O-N 3.07Å; D656-S660 WeakPolarHBondContact O-CB 3.29Å; D656-S660 PolarHBondContact O-N 3.17Å; D656-S660 PolarHBondContact O-OG 2.99Å
657	K	97.8	Very high	95.2	Very high	115 Å²	115	56.5 Å²	56.5	50%	0.5	32%	0.324	S	S	.	.	H	α-helix	trans	-63.9	-41.9	175.3	-174.3	177.7	-177.9	177.3	0	112.3	A653 L654 V655 S660 S661	A653-K657 WeakPolarHBondContact O-CB 3.28Å; A653-K657 PolarHBondContact O-N 3.42Å; L654-K657 WeakPolarHBondContact O-CB 3.29Å; L654-K657 PolarHBondContact O-N 2.95Å; V655-K657 VanDerWaalsContact C-N 3.28Å; V655-K657 PolarHBondContact O-N 3.17Å; K657-S660 WeakPolarHBondContact CA-OG 3.37Å; K657-S660 PolarHBondContact O-OG 2.87Å; K657-S661 VanDerWaalsContact O-CB 3.3Å; K657-S661 WeakPolarHBondContact O-CB 3.39Å; K657-S661 PolarHBondContact O-N 3.22Å; K657-S661 VanDerWaalsContact O-N 3.09Å; K657-S661 PolarHBondContact O-OG 3.03Å
658	I	97.8	Very high	94.8	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-65.7	-50.8	177.6	-65.8	165.4	0	0	0	109.9	L611 K615 L618 L654 V655 S660 S661 F662 P672 V673	L611-I658 HydrophobicContact CB-CD1 4.21Å; L611-I658 HydrophobicContact CD2-CD1 4.4Å; L611-I658 WeakPolarHBondContact O-CD1 3.12Å; K615-I658 HydrophobicContact CB-CD1 3.95Å; K615-I658 HydrophobicContact CB-CG1 3.84Å; K615-I658 HydrophobicContact CD-CG1 3.99Å; K615-I658 HydrophobicContact CG-CG1 4.04Å; L618-I658 HydrophobicContact CD1-CG2 4.11Å; L654-I658 HydrophobicContact CD1-CD1 4.37Å; L654-I658 HydrophobicContact CD1-CG1 4.44Å; L654-I658 HydrophobicContact CG-CD1 4.13Å; L654-I658 VanDerWaalsContact O-CG1 3.27Å; L654-I658 WeakPolarHBondContact O-CG1 3.43Å; L654-I658 PolarHBondContact O-N 2.84Å; V655-I658 PolarHBondContact O-N 3.33Å; I658-S660 PolarHBondContact O-N 3.45Å; I658-S661 PolarHBondContact O-N 3.13Å; I658-F662 HydrophobicContact CG2-CD2 3.9Å; I658-F662 HydrophobicContact CG2-CE2 4.05Å; I658-F662 VanDerWaalsContact O-CD2 3.26Å; I658-F662 WeakPolarHBondContact O-CD2 3.24Å; I658-F662 PolarHBondContact O-N 3.33Å; I658-P672 HydrophobicContact CG2-CB 4.24Å; I658-P672 HydrophobicContact CG2-CG 3.9Å; I658-V673 HydrophobicContact CB-CG2 4.43Å; I658-V673 HydrophobicContact CD1-CG2 4.32Å; I658-V673 HydrophobicContact CG2-CG2 3.81Å
659	N	97.7	Very high	94.5	Very high	41 Å²	41	67 Å²	67	22%	0.219	38%	0.383	C	S	.	.	H	α-helix	trans	-63.4	-25.6	-178.4	-74.8	-28	0	0	0	113.6	V655 P672 V673	V655-N659 WeakPolarHBondContact CG1-ND2 3.26Å; V655-N659 WeakPolarHBondContact O-CB 3.28Å; V655-N659 PolarHBondContact O-N 3.1Å; V655-N659 PolarHBondContact O-ND2 2.65Å; N659-P672 WeakPolarHBondContact OD1-CD 3.36Å; N659-P672 VanDerWaalsContact OD1-CG 3.27Å; N659-P672 WeakPolarHBondContact OD1-CG 3.46Å; N659-V673 PolarHBondContact ND2-O 2.82Å; N659-V673 PolarHBondContact OD1-N 3.28Å; N659-V673 PolarHBondContact OD1-O 2.68Å
660	S	96	Very high	94.3	Very high	94 Å²	94	64.4 Å²	64.4	66%	0.657	37%	0.368	S	S	*	.	H	α-helix	trans	-85.7	-23.1	172.8	54.2	0	0	0	0	114.1	D656 K657 I658	D656-S660 WeakPolarHBondContact O-CB 3.29Å; D656-S660 PolarHBondContact O-N 3.17Å; D656-S660 PolarHBondContact O-OG 2.99Å; K657-S660 WeakPolarHBondContact CA-OG 3.37Å; K657-S660 PolarHBondContact O-OG 2.87Å; I658-S660 PolarHBondContact O-N 3.45Å
661	S	95.8	Very high	94.2	Very high	66 Å²	66	67.9 Å²	67.9	46%	0.462	38%	0.377	S	S	.	.	H	α-helix	trans	-84.2	-27.8	-177.6	-60.8	0	0	0	0	113.3	K657 I658	K657-S661 VanDerWaalsContact O-CB 3.3Å; K657-S661 WeakPolarHBondContact O-CB 3.39Å; K657-S661 PolarHBondContact O-N 3.22Å; K657-S661 VanDerWaalsContact O-N 3.09Å; K657-S661 PolarHBondContact O-OG 3.03Å; I658-S661 PolarHBondContact O-N 3.13Å
662	F	95.6	Very high	94.1	Very high	18 Å²	18	67.9 Å²	67.9	8%	0.079	38%	0.376	C	S	.	.			trans	-122.3	130.9	-178.3	-48.8	-81.2	0	0	0	110.6	K615 L618 E619 H625 I658 W670 P672	K615-F662 HydrophobicContact CG-CE2 3.98Å; K615-F662 HydrophobicContact CG-CZ 4.15Å; L618-F662 HydrophobicContact CB-CD1 3.97Å; L618-F662 HydrophobicContact CB-CD2 4.17Å; L618-F662 HydrophobicContact CB-CE1 3.78Å; L618-F662 HydrophobicContact CB-CE2 4.02Å; L618-F662 HydrophobicContact CB-CG 4.16Å; L618-F662 HydrophobicContact CB-CZ 3.83Å; L618-F662 HydrophobicContact CD1-CD2 3.75Å; L618-F662 HydrophobicContact CD1-CE2 4.06Å; L618-F662 HydrophobicContact CD1-CG 4.15Å; E619-F662 HydrophobicContact CG-CE1 3.97Å; E619-F662 HydrophobicContact CG-CZ 3.71Å; H625-F662 AromaticContact CE1-CD1 3.73Å; H625-F662 AromaticContact NE2-CD1 3.6Å; I658-F662 HydrophobicContact CG2-CD2 3.9Å; I658-F662 HydrophobicContact CG2-CE2 4.05Å; I658-F662 VanDerWaalsContact O-CD2 3.26Å; I658-F662 WeakPolarHBondContact O-CD2 3.24Å; I658-F662 PolarHBondContact O-N 3.33Å; F662-W670 HydrophobicContact CB-CH2 4.28Å; F662-W670 HydrophobicContact CB-CZ3 4.17Å; F662-P672 HydrophobicContact CB-CG 4.34Å
663	S	91.3	Very high	94.2	Very high	87 Å²	87	66 Å²	66	61%	0.608	36%	0.364	S	S	*	.			trans	-146.9	152.6	174.6	58.2	0	0	0	0	109
664	D	89.2	Confident	94.2	Very high	32 Å²	32	64.5 Å²	64.5	17%	0.171	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-112.5	118.5	172.1	176	24.6	0	0	0	109.2	K666 R667 W670	D664-K666 PolarHBondContact O-N 2.93Å; D664-K666 VanDerWaalsContact O-N 3.09Å; D664-K666 PolarHBondContact OD1-N 3.48Å; D664-K666 VanDerWaalsContact OD1-N 3.17Å; D664-R667 HydrophobicContact CB-CB 4.4Å; D664-R667 CarbonylContact O-C 3.13Å; D664-R667 PolarHBondContact O-N 2.81Å; D664-R667 PolarHBondContact OD2-N 3.46Å; D664-W670 HydrophobicContact CB-CE3 4.2Å
665	P	87.4	Confident	94.1	Very high	120 Å²	120	65.2 Å²	65.2	78%	0.779	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-26.3	176.6	-26.4	34.4	0	0	0	114.1	R667	P665-R667 VanDerWaalsContact C-N 3.34Å
666	K	86.8	Confident	94.1	Very high	193 Å²	193	67.6 Å²	67.6	84%	0.839	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-16.8	178.5	-60.3	177.2	-177	171.1	0	113	D664	D664-K666 PolarHBondContact O-N 2.93Å; D664-K666 VanDerWaalsContact O-N 3.09Å; D664-K666 PolarHBondContact OD1-N 3.48Å; D664-K666 VanDerWaalsContact OD1-N 3.17Å
667	R	88.3	Confident	94	Very high	43 Å²	43	64.4 Å²	64.4	16%	0.162	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-142.7	71.1	-177.3	-161.2	179.7	174.2	-161.4	-3.4	110.9	T584 Y585 G626 D664 P665 E669 W670	T584-R667 PolarHBondContact O-NH2 2.76Å; Y585-R667 VanDerWaalsContact O-CZ 3.32Å; Y585-R667 PolarHBondContact O-NH1 2.91Å; Y585-R667 PolarHBondContact O-NH2 3.32Å; G626-R667 WeakPolarHBondContact O-CD 3.38Å; G626-R667 PolarHBondContact O-NH1 2.76Å; D664-R667 HydrophobicContact CB-CB 4.4Å; D664-R667 CarbonylContact O-C 3.13Å; D664-R667 PolarHBondContact O-N 2.81Å; D664-R667 PolarHBondContact OD2-N 3.46Å; P665-R667 VanDerWaalsContact C-N 3.34Å; R667-E669 VanDerWaalsContact CG-CD 3.41Å; R667-E669 WeakPolarHBondContact CG-OE1 3.4Å; R667-E669 IonicContact NE-OE1 3.81Å; R667-E669 PolarHBondContact NE-OE1 3.32Å; R667-E669 VanDerWaalsContact NE-OE1 3.09Å; R667-E669 PolarHBondContact O-N 2.89Å; R667-E669 VanDerWaalsContact O-N 3.13Å; R667-W670 HydrophobicContact CB-CB 4.2Å; R667-W670 HydrophobicContact CG-CB 3.94Å; R667-W670 VanDerWaalsContact O-CB 3.23Å; R667-W670 WeakPolarHBondContact O-CB 3.48Å; R667-W670 PolarHBondContact O-N 3.41Å
668	P	87.2	Confident	93.7	Very high	107 Å²	107	65.4 Å²	65.4	70%	0.695	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.4	-173.4	-21.9	34	0	0	0	114.5	W670	P668-W670 VanDerWaalsContact C-N 3.33Å
669	E	89.8	Confident	93.3	Very high	126 Å²	126	66 Å²	66	59%	0.589	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-9.5	176.9	79.2	-70.9	174.4	0	0	113.8	R667 K671	R667-E669 VanDerWaalsContact CG-CD 3.41Å; R667-E669 WeakPolarHBondContact CG-OE1 3.4Å; R667-E669 IonicContact NE-OE1 3.81Å; R667-E669 PolarHBondContact NE-OE1 3.32Å; R667-E669 VanDerWaalsContact NE-OE1 3.09Å; R667-E669 PolarHBondContact O-N 2.89Å; R667-E669 VanDerWaalsContact O-N 3.13Å; E669-K671 PolarHBondContact O-N 3.5Å
670	W	93.6	Very high	93	Very high	13 Å²	13	66 Å²	66	5%	0.049	36%	0.363	C	S	.	.			trans	-65.6	126.2	178.6	173	69.6	0	0	0	111.1	L618 H625 G626 D628 F662 D664 R667 P668 P672	L618-W670 HydrophobicContact CD2-CH2 4.41Å; H625-W670 HydrophobicContact CB-CH2 4.01Å; H625-W670 HydrophobicContact CB-CZ3 4.06Å; G626-W670 VanDerWaalsContact CA-CD2 3.41Å; G626-W670 VanDerWaalsContact N-CE2 3.34Å; D628-W670 VanDerWaalsContact O-CZ2 3.32Å; D628-W670 WeakPolarHBondContact O-CZ2 3.19Å; D628-W670 PolarHBondContact O-NE1 3.45Å; F662-W670 HydrophobicContact CB-CH2 4.28Å; F662-W670 HydrophobicContact CB-CZ3 4.17Å; D664-W670 HydrophobicContact CB-CE3 4.2Å; R667-W670 HydrophobicContact CB-CB 4.2Å; R667-W670 HydrophobicContact CG-CB 3.94Å; R667-W670 VanDerWaalsContact O-CB 3.23Å; R667-W670 WeakPolarHBondContact O-CB 3.48Å; R667-W670 PolarHBondContact O-N 3.41Å; P668-W670 VanDerWaalsContact C-N 3.33Å; W670-P672 HydrophobicContact CH2-CB 3.89Å; W670-P672 HydrophobicContact CH2-CG 4.36Å; W670-P672 HydrophobicContact CZ2-CB 3.76Å
671	K	95.6	Very high	92.8	Very high	129 Å²	129	65.3 Å²	65.3	56%	0.561	36%	0.357	S	S	*	.			trans	-110.1	122.7	167.8	-67.6	-176.1	179.2	-177.9	0	108.7	E669 V673 V674	E669-K671 PolarHBondContact O-N 3.5Å; K671-V673 PolarHBondContact O-N 2.92Å; K671-V674 HydrophobicContact CB-CG2 4.5Å
672	P	96.9	Very high	92.6	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	36%	0.355	C	S	.	.	S	Bend	trans	-60.4	-34.3	175.9	20.6	-31.7	0	0	0	112.5	F614 L618 L630 I658 N659 F662 W670	F614-P672 HydrophobicContact CE1-CB 4.32Å; F614-P672 WeakPolarHBondContact CE1-O 3.47Å; L618-P672 HydrophobicContact CD1-CB 3.52Å; L618-P672 HydrophobicContact CD1-CG 4.32Å; L630-P672 PolarHBondContact N-O 3.41Å; I658-P672 HydrophobicContact CG2-CB 4.24Å; I658-P672 HydrophobicContact CG2-CG 3.9Å; N659-P672 WeakPolarHBondContact OD1-CD 3.36Å; N659-P672 VanDerWaalsContact OD1-CG 3.27Å; N659-P672 WeakPolarHBondContact OD1-CG 3.46Å; F662-P672 HydrophobicContact CB-CG 4.34Å; W670-P672 HydrophobicContact CH2-CB 3.89Å; W670-P672 HydrophobicContact CH2-CG 4.36Å; W670-P672 HydrophobicContact CZ2-CB 3.76Å
673	V	98.4	Very high	92.6	Very high	1 Å²	1	70.4 Å²	70.4	1%	0.006	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	126.6	179.3	-175	0	0	0	0	111.1	L611 F614 L630 V655 I658 N659 K671	L611-V673 HydrophobicContact CD2-CG1 3.87Å; L611-V673 HydrophobicContact CD2-CG2 4.45Å; F614-V673 HydrophobicContact CD1-CG2 3.75Å; F614-V673 HydrophobicContact CE1-CG2 3.98Å; L630-V673 HydrophobicContact CB-CG2 4.38Å; L630-V673 HydrophobicContact CD2-CG2 4.49Å; L630-V673 CarbonylContact O-C 3.56Å; L630-V673 WeakPolarHBondContact O-CA 3.32Å; V655-V673 HydrophobicContact CG1-CB 4.22Å; V655-V673 HydrophobicContact CG1-CG1 4.02Å; V655-V673 HydrophobicContact CG2-CG1 3.99Å; I658-V673 HydrophobicContact CB-CG2 4.43Å; I658-V673 HydrophobicContact CD1-CG2 4.32Å; I658-V673 HydrophobicContact CG2-CG2 3.81Å; N659-V673 PolarHBondContact ND2-O 2.82Å; N659-V673 PolarHBondContact OD1-N 3.28Å; N659-V673 PolarHBondContact OD1-O 2.68Å; K671-V673 PolarHBondContact O-N 2.92Å
674	V	97.8	Very high	92.8	Very high	27 Å²	27	70.7 Å²	70.7	16%	0.164	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	110.2	171	-176.7	0	0	0	0	108.1	Y585 V629 L630 F631 Q632 K671	Y585-V674 HydrophobicContact CD1-CG2 4.1Å; Y585-V674 HydrophobicContact CE1-CG1 4.35Å; Y585-V674 HydrophobicContact CE1-CG2 3.89Å; V629-V674 HydrophobicContact CG1-CG2 4.04Å; L630-V674 PolarHBondContact O-N 2.93Å; F631-V674 HydrophobicContact CD2-CB 3.72Å; F631-V674 HydrophobicContact CD2-CG1 3.72Å; F631-V674 HydrophobicContact CD2-CG2 4.35Å; F631-V674 HydrophobicContact CE2-CB 4.06Å; F631-V674 HydrophobicContact CE2-CG1 3.49Å; F631-V674 VanDerWaalsContact CE2-CG1 3.49Å; F631-V674 HydrophobicContact CG-CB 4.33Å; F631-V674 HydrophobicContact CZ-CG1 4.16Å; Q632-V674 PolarHBondContact N-O 3.43Å; K671-V674 HydrophobicContact CB-CG2 4.5Å
675	L	97.9	Very high	93.2	Very high	41 Å²	41	70 Å²	70	22%	0.215	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	121.5	177.4	-179.8	66.4	0	0	0	109.5	F601 Q632 A634 V655 T677	F601-L675 HydrophobicContact CE1-CD2 4.4Å; Q632-L675 HydrophobicContact CB-CD1 4.26Å; Q632-L675 HydrophobicContact CG-CD1 3.91Å; Q632-L675 WeakPolarHBondContact O-CA 3.32Å; A634-L675 HydrophobicContact CB-CD1 3.9Å; V655-L675 HydrophobicContact CG1-CB 4.16Å; V655-L675 HydrophobicContact CG2-CB 4.26Å; V655-L675 HydrophobicContact CG2-CD2 4.11Å; L675-T677 HydrophobicContact CD2-CG2 4.28Å; L675-T677 HydrophobicContact CG-CG2 4.15Å
676	Q	97.2	Very high	93.7	Very high	58 Å²	58	64.3 Å²	64.3	27%	0.271	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	118.5	175.9	173	61.1	-15.1	0	0	110.8	F631 Q632 V633 A634 G679 L680	F631-Q676 HydrophobicContact CE1-CB 4.25Å; F631-Q676 HydrophobicContact CZ-CB 4.39Å; Q632-Q676 PolarHBondContact O-N 3.09Å; V633-Q676 WeakPolarHBondContact CA-O 3.49Å; V633-Q676 HydrophobicContact CG2-CB 4.34Å; A634-Q676 PolarHBondContact N-O 2.78Å; Q676-G679 PolarHBondContact NE2-O 2.88Å; Q676-L680 HydrophobicContact CG-CD2 4.14Å; Q676-L680 HydrophobicContact CG-CG 4.36Å
677	T	96.2	Very high	94.2	Very high	42 Å²	42	55.1 Å²	55.1	26%	0.258	28%	0.276	S	S	.	.			trans	-103.6	-18.5	-170.9	52	0	0	0	0	115.5	F601 A634 V635 T636 L675 G679	F601-T677 HydrophobicContact CD1-CG2 4.21Å; F601-T677 HydrophobicContact CE1-CG2 4.05Å; A634-T677 WeakPolarHBondContact O-CA 3.18Å; V635-T677 WeakPolarHBondContact CA-O 3.12Å; T636-T677 PolarHBondContact N-O 3.29Å; L675-T677 HydrophobicContact CD2-CG2 4.28Å; L675-T677 HydrophobicContact CG-CG2 4.15Å; T677-G679 VanDerWaalsContact C-N 3.25Å; T677-G679 PolarHBondContact O-N 3.05Å
678	D	91.5	Very high	94.7	Very high	136 Å²	136	53.6 Å²	53.6	73%	0.727	27%	0.271	S	S	*	.	S	Bend	trans	-86.6	0.1	-174.6	-55	-21.8	0	0	0	112.5
679	G	88.4	Confident	95.2	Very high	12 Å²	12	48.6 Å²	48.6	12%	0.124	24%	0.238	C	C	.	.			trans	73.5	-177.2	-168.8	0	0	0	0	0	112.9	Q676 T677	Q676-G679 PolarHBondContact NE2-O 2.88Å; T677-G679 VanDerWaalsContact C-N 3.25Å; T677-G679 PolarHBondContact O-N 3.05Å
680	L	92.7	Very high	95.6	Very high	41 Å²	41	44.8 Å²	44.8	22%	0.215	22%	0.221	C	C	.	.			trans	-136.2	143	179.1	-67	177	0	0	0	108.8	F631 V633 Q676 V685	F631-L680 HydrophobicContact CE1-CD1 4.48Å; V633-L680 HydrophobicContact CG2-CD1 3.65Å; V633-L680 HydrophobicContact CG2-CG 4.19Å; Q676-L680 HydrophobicContact CG-CD2 4.14Å; Q676-L680 HydrophobicContact CG-CG 4.36Å; L680-V685 HydrophobicContact CB-CG2 3.66Å
681	P	92.2	Very high	95.8	Very high	80 Å²	80	44.3 Å²	44.3	52%	0.519	22%	0.22	S	C	.	.			trans	-53.1	145.4	167.1	-25	33.4	0	0	0	111.3	K683 Y684 V685	P681-K683 VanDerWaalsContact C-N 3.29Å; P681-K683 PolarHBondContact O-N 3.02Å; P681-Y684 HydrophobicContact CB-CD2 4.23Å; P681-Y684 HydrophobicContact CB-CG 4.42Å; P681-Y684 HydrophobicContact CG-CD2 3.81Å; P681-Y684 HydrophobicContact CG-CE2 4.16Å; P681-Y684 HydrophobicContact CG-CG 4.47Å; P681-Y684 CarbonylContact O-C 3.55Å; P681-Y684 WeakPolarHBondContact O-CA 3.46Å; P681-Y684 WeakPolarHBondContact O-CB 3.33Å; P681-Y684 PolarHBondContact O-N 3.44Å; P681-V685 PolarHBondContact O-N 3.23Å
682	R	91.7	Very high	95.9	Very high	111 Å²	111	38.5 Å²	38.5	42%	0.419	20%	0.195	S	C	.	.	H	α-helix	trans	-52.4	-43.6	-175.4	-168.7	175.3	-178.7	-174.5	-4.2	113.2	E564 L568 Y684 V685 V686	E564-R682 IonicContact OE2-CZ 3.01Å; E564-R682 VanDerWaalsContact OE2-CZ 3.26Å; E564-R682 IonicContact OE2-NH1 3.35Å; E564-R682 PolarHBondContact OE2-NH1 2.82Å; E564-R682 IonicContact OE2-NH2 2.69Å; E564-R682 PolarHBondContact OE2-NH2 2.92Å; L568-R682 HydrophobicContact CD1-CG 3.96Å; R682-Y684 VanDerWaalsContact C-N 3.26Å; R682-Y684 PolarHBondContact O-N 2.71Å; R682-V685 PolarHBondContact O-N 3.18Å; R682-V686 PolarHBondContact O-N 2.75Å
683	K	95.5	Very high	95.9	Very high	79 Å²	79	40 Å²	40	34%	0.343	20%	0.203	S	C	.	.	H	α-helix	trans	-54.6	-41.1	173.5	-77.6	-173.1	167.2	-166	0	112.5	L568 D571 E573 V574 P681 A687	L568-K683 HydrophobicContact CD2-CG 3.91Å; D571-K683 IonicContact OD2-NZ 3.37Å; E573-K683 IonicContact OE2-NZ 3.54Å; E573-K683 PolarHBondContact OE2-NZ 2.7Å; V574-K683 HydrophobicContact CG2-CB 4.16Å; V574-K683 HydrophobicContact CG2-CG 4.19Å; P681-K683 VanDerWaalsContact C-N 3.29Å; P681-K683 PolarHBondContact O-N 3.02Å; K683-A687 PolarHBondContact O-N 3.15Å
684	Y	95.6	Very high	95.9	Very high	94 Å²	94	40 Å²	40	37%	0.369	20%	0.203	S	C	.	.	H	α-helix	trans	-77.8	-33.7	-179.4	-63.2	-11.3	0	0	0	112	K577 P681 R682 V686 A687 H688	K577-Y684 HydrophobicContact CD-CE1 4.4Å; K577-Y684 HydrophobicContact CG-CD1 4.13Å; K577-Y684 HydrophobicContact CG-CE1 4.29Å; P681-Y684 HydrophobicContact CB-CD2 4.23Å; P681-Y684 HydrophobicContact CB-CG 4.42Å; P681-Y684 HydrophobicContact CG-CD2 3.81Å; P681-Y684 HydrophobicContact CG-CE2 4.16Å; P681-Y684 HydrophobicContact CG-CG 4.47Å; P681-Y684 CarbonylContact O-C 3.55Å; P681-Y684 WeakPolarHBondContact O-CA 3.46Å; P681-Y684 WeakPolarHBondContact O-CB 3.33Å; P681-Y684 PolarHBondContact O-N 3.44Å; R682-Y684 VanDerWaalsContact C-N 3.26Å; R682-Y684 PolarHBondContact O-N 2.71Å; Y684-V686 VanDerWaalsContact C-N 3.32Å; Y684-V686 PolarHBondContact O-N 2.97Å; Y684-A687 WeakPolarHBondContact O-CB 3.48Å; Y684-A687 PolarHBondContact O-N 3.1Å; Y684-H688 PolarHBondContact O-N 3.49Å; Y684-H688 PolarHBondContact O-ND1 3.25Å
685	V	96.2	Very high	95.9	Very high	18 Å²	18	38.7 Å²	38.7	11%	0.109	20%	0.195	C	C	.	.	H	α-helix	trans	-57.4	-48.2	169.5	178.5	0	0	0	0	110.2	L680 P681 R682 A687 H688 Y689	L680-V685 HydrophobicContact CB-CG2 3.66Å; P681-V685 PolarHBondContact O-N 3.23Å; R682-V685 PolarHBondContact O-N 3.18Å; V685-A687 VanDerWaalsContact C-N 3.34Å; V685-A687 PolarHBondContact O-N 2.94Å; V685-H688 WeakPolarHBondContact O-CB 3.48Å; V685-H688 PolarHBondContact O-N 2.81Å; V685-H688 VanDerWaalsContact O-N 3.07Å; V685-Y689 HydrophobicContact CG1-CD2 4.35Å; V685-Y689 HydrophobicContact CG1-CE1 4Å; V685-Y689 HydrophobicContact CG1-CE2 3.59Å; V685-Y689 VanDerWaalsContact CG1-OH 3.28Å; V685-Y689 WeakPolarHBondContact CG1-OH 3.43Å; V685-Y689 PolarHBondContact O-N 3Å
686	V	97.7	Very high	96	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.6	-38.4	176.7	178.3	0	0	0	0	111.9	F565 L568 A569 V574 R682 Y684 H688 Y689 L690 C714	F565-V686 HydrophobicContact CD1-CG2 4.09Å; F565-V686 HydrophobicContact CE1-CG2 4.46Å; L568-V686 HydrophobicContact CB-CB 4.24Å; L568-V686 HydrophobicContact CB-CG1 3.97Å; L568-V686 HydrophobicContact CB-CG2 4Å; L568-V686 HydrophobicContact CD1-CG2 3.93Å; A569-V686 HydrophobicContact CB-CG1 4.25Å; V574-V686 HydrophobicContact CG1-CB 4.16Å; V574-V686 HydrophobicContact CG1-CG1 3.91Å; R682-V686 PolarHBondContact O-N 2.75Å; Y684-V686 VanDerWaalsContact C-N 3.32Å; Y684-V686 PolarHBondContact O-N 2.97Å; V686-H688 PolarHBondContact O-N 2.91Å; V686-Y689 HydrophobicContact CG2-CD2 4.29Å; V686-Y689 WeakPolarHBondContact O-CB 3.41Å; V686-Y689 PolarHBondContact O-N 2.83Å; V686-Y689 VanDerWaalsContact O-N 3.11Å; V686-L690 WeakPolarHBondContact O-CG 3.27Å; V686-L690 PolarHBondContact O-N 3.22Å; V686-C714 HydrophobicContact CG1-CB 4.42Å
687	A	98.4	Very high	96	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-59.7	-35.8	173.3	0	0	0	0	0	112.3	V574 K577 A578 I581 K683 Y684 V685 A691	V574-A687 HydrophobicContact CG1-CB 3.97Å; K577-A687 HydrophobicContact CB-CB 3.93Å; K577-A687 HydrophobicContact CG-CB 3.96Å; A578-A687 WeakPolarHBondContact CA-O 3.4Å; A578-A687 HydrophobicContact CB-CB 4.42Å; A578-A687 WeakPolarHBondContact CB-O 3.41Å; I581-A687 HydrophobicContact CD1-CB 3.72Å; K683-A687 PolarHBondContact O-N 3.15Å; Y684-A687 WeakPolarHBondContact O-CB 3.48Å; Y684-A687 PolarHBondContact O-N 3.1Å; V685-A687 VanDerWaalsContact C-N 3.34Å; V685-A687 PolarHBondContact O-N 2.94Å; A687-A691 WeakPolarHBondContact O-CB 3.37Å; A687-A691 PolarHBondContact O-N 3.44Å
688	H	98.4	Very high	96.1	Very high	11 Å²	11	32.1 Å²	32.1	5%	0.051	16%	0.161	C	C	.	.	H	α-helix	trans	-71.6	-38.1	173.3	-71.4	75.7	0	0	0	112.1	I581 F594 F596 F631 Y684 V685 V686 L690 A691 M692	I581-H688 VanDerWaalsContact CD1-CE1 3.45Å; I581-H688 WeakPolarHBondContact CD1-CE1 3.34Å; I581-H688 WeakPolarHBondContact CD1-ND1 3.31Å; F594-H688 AromaticContact CZ-CD2 3.98Å; F596-H688 HydrophobicContact CD1-CB 4.1Å; F596-H688 HydrophobicContact CD2-CB 3.88Å; F596-H688 HydrophobicContact CE1-CB 3.69Å; F596-H688 HydrophobicContact CE2-CB 3.45Å; F596-H688 VanDerWaalsContact CE2-CB 3.45Å; F596-H688 AromaticContact CE2-CD2 3.7Å; F596-H688 AromaticContact CE2-CG 3.74Å; F596-H688 HydrophobicContact CG-CB 4.19Å; F596-H688 HydrophobicContact CZ-CB 3.36Å; F596-H688 AromaticContact CZ-CG 3.98Å; F631-H688 AromaticContact CD1-CD2 3.97Å; F631-H688 AromaticContact CE1-CD2 3.83Å; F631-H688 AromaticContact CE1-NE2 3.67Å; F631-H688 AromaticContact CE2-NE2 3.93Å; F631-H688 AromaticContact CZ-NE2 3.5Å; F631-H688 WeakPolarHBondContact CZ-NE2 3.43Å; Y684-H688 PolarHBondContact O-N 3.49Å; Y684-H688 PolarHBondContact O-ND1 3.25Å; V685-H688 WeakPolarHBondContact O-CB 3.48Å; V685-H688 PolarHBondContact O-N 2.81Å; V685-H688 VanDerWaalsContact O-N 3.07Å; V686-H688 PolarHBondContact O-N 2.91Å; H688-L690 VanDerWaalsContact C-N 3.29Å; H688-L690 PolarHBondContact O-N 2.76Å; H688-A691 PolarHBondContact O-N 3.47Å; H688-A691 VanDerWaalsContact O-N 3.13Å; H688-M692 PolarHBondContact O-N 3.28Å
689	Y	98.2	Very high	96.4	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.008	13%	0.126	C	C	.	.	H	α-helix	trans	-57.7	-41.8	171.7	-61.9	-31.7	0	0	0	111.9	F565 F596 V685 V686 M692 V707 E710 M711 C714 N715	F565-Y689 HydrophobicContact CE1-CE2 4.43Å; F596-Y689 AromaticContact CD1-CD1 3.71Å; F596-Y689 HydrophobicContact CD1-CD1 3.71Å; F596-Y689 AromaticContact CD1-CE1 3.96Å; F596-Y689 HydrophobicContact CD1-CE1 3.96Å; F596-Y689 AromaticContact CE1-CD1 3.48Å; F596-Y689 HydrophobicContact CE1-CD1 3.48Å; F596-Y689 VanDerWaalsContact CE1-CD1 3.48Å; F596-Y689 AromaticContact CE1-CE1 3.44Å; F596-Y689 HydrophobicContact CE1-CE1 3.44Å; F596-Y689 VanDerWaalsContact CE1-CE1 3.44Å; V685-Y689 HydrophobicContact CG1-CD2 4.35Å; V685-Y689 HydrophobicContact CG1-CE1 4Å; V685-Y689 HydrophobicContact CG1-CE2 3.59Å; V685-Y689 VanDerWaalsContact CG1-OH 3.28Å; V685-Y689 WeakPolarHBondContact CG1-OH 3.43Å; V685-Y689 PolarHBondContact O-N 3Å; V686-Y689 HydrophobicContact CG2-CD2 4.29Å; V686-Y689 WeakPolarHBondContact O-CB 3.41Å; V686-Y689 PolarHBondContact O-N 2.83Å; V686-Y689 VanDerWaalsContact O-N 3.11Å; Y689-M692 HydrophobicContact CD1-SD 4.37Å; Y689-M692 WeakPolarHBondContact O-CE 3.47Å; Y689-M692 VanDerWaalsContact O-CG 3.29Å; Y689-M692 WeakPolarHBondContact O-CG 3.36Å; Y689-V707 HydrophobicContact CE1-CG1 4.39Å; Y689-E710 HydrophobicContact CD2-CB 4.44Å; Y689-E710 HydrophobicContact CE2-CB 3.67Å; Y689-E710 PolarHBondContact OH-OE2 3.46Å; Y689-E710 VanDerWaalsContact OH-OE2 3.07Å; Y689-M711 HydrophobicContact CD1-CB 4.38Å; Y689-M711 HydrophobicContact CD1-CE 4.39Å; Y689-M711 HydrophobicContact CD1-CG 3.46Å; Y689-M711 VanDerWaalsContact CD1-CG 3.46Å; Y689-M711 HydrophobicContact CE1-CE 3.99Å; Y689-M711 HydrophobicContact CE1-CG 3.47Å; Y689-M711 VanDerWaalsContact CE1-CG 3.47Å; Y689-M711 HydrophobicContact CG-CG 4.28Å; Y689-C714 HydrophobicContact CD2-CB 4.29Å; Y689-N715 WeakPolarHBondContact O-CB 2.89Å; Y689-N715 PolarHBondContact O-ND2 3.45Å
690	L	98	Very high	96.8	Very high	45 Å²	45	26.9 Å²	26.9	24%	0.236	13%	0.13	C	C	.	.	H	α-helix	trans	-70.4	-29.4	175.7	-68.6	178.9	0	0	0	113.5	A569 V574 Q575 A578 V686 H688 C714	A569-L690 HydrophobicContact CB-CD2 4.2Å; V574-L690 HydrophobicContact CG1-CD1 4.02Å; Q575-L690 HydrophobicContact CG-CD1 4.08Å; A578-L690 HydrophobicContact CB-CB 3.61Å; A578-L690 HydrophobicContact CB-CD1 4.33Å; V686-L690 WeakPolarHBondContact O-CG 3.27Å; V686-L690 PolarHBondContact O-N 3.22Å; H688-L690 VanDerWaalsContact C-N 3.29Å; H688-L690 PolarHBondContact O-N 2.76Å; L690-C714 VanDerWaalsContact CD2-O 3.29Å; L690-C714 WeakPolarHBondContact CD2-O 3.44Å
691	A	97.4	Very high	96.9	Very high	4 Å²	4	26.8 Å²	26.8	3%	0.033	13%	0.127	C	C	.	.	H	α-helix	trans	-81.5	-22.4	-178.6	0	0	0	0	0	113.5	A578 I581 R582 A687 H688	A578-A691 HydrophobicContact CB-CB 4.32Å; A578-A691 WeakPolarHBondContact O-CB 3.48Å; I581-A691 HydrophobicContact CB-CB 4.21Å; I581-A691 HydrophobicContact CG2-CB 3.95Å; R582-A691 HydrophobicContact CB-CB 4.43Å; R582-A691 PolarHBondContact NH1-O 3.22Å; R582-A691 VanDerWaalsContact NH1-O 3.1Å; A687-A691 WeakPolarHBondContact O-CB 3.37Å; A687-A691 PolarHBondContact O-N 3.44Å; H688-A691 PolarHBondContact O-N 3.47Å; H688-A691 VanDerWaalsContact O-N 3.13Å
692	M	97.3	Very high	97	Very high	6 Å²	6	23.9 Å²	23.9	3%	0.03	11%	0.107	C	C	.	.			trans	-71.5	145.3	-173.4	83.4	-163.3	171.5	0	0	113.6	F594 F596 H688 Y689 M711 N715 A718	F594-M692 HydrophobicContact CD1-CB 3.91Å; F596-M692 HydrophobicContact CB-CB 3.63Å; F596-M692 HydrophobicContact CB-CG 4.46Å; F596-M692 HydrophobicContact CB-SD 4.15Å; F596-M692 HydrophobicContact CD1-SD 4.19Å; H688-M692 PolarHBondContact O-N 3.28Å; Y689-M692 HydrophobicContact CD1-SD 4.37Å; Y689-M692 WeakPolarHBondContact O-CE 3.47Å; Y689-M692 VanDerWaalsContact O-CG 3.29Å; Y689-M692 WeakPolarHBondContact O-CG 3.36Å; M692-M711 HydrophobicContact CE-CB 3.49Å; M692-M711 VanDerWaalsContact CE-CB 3.49Å; M692-M711 HydrophobicContact CE-CG 3.74Å; M692-M711 HydrophobicContact CE-SD 4.5Å; M692-M711 HydrophobicContact SD-CB 4.36Å; M692-M711 HydrophobicContact SD-CG 3.92Å; M692-M711 HydrophobicContact SD-SD 4.3Å; M692-N715 HydrophobicContact CE-CB 4.2Å; M692-N715 PolarHBondContact O-ND2 3.35Å; M692-N715 VanDerWaalsContact O-ND2 3.13Å; M692-A718 HydrophobicContact CE-CB 3.51Å; M692-A718 HydrophobicContact CG-CB 3.86Å; M692-A718 HydrophobicContact SD-CB 4.49Å
693	D	97.6	Very high	97	Very high	31 Å²	31	18.6 Å²	18.6	17%	0.166	9%	0.087	C	C	.	.	S	Bend	trans	-94.2	-32.7	166.8	-57.5	-85.4	0	0	0	110.7	R582 K593 F594 A718 S719	R582-D693 IonicContact CZ-OD1 3.95Å; R582-D693 IonicContact CZ-OD2 3.21Å; R582-D693 IonicContact NH1-OD1 3.6Å; R582-D693 PolarHBondContact NH1-OD1 3.19Å; R582-D693 VanDerWaalsContact NH1-OD1 3.12Å; R582-D693 IonicContact NH1-OD2 3.76Å; R582-D693 PolarHBondContact NH1-OD2 3.13Å; R582-D693 IonicContact NH2-OD1 2.97Å; R582-D693 PolarHBondContact NH2-OD1 3.06Å; R582-D693 IonicContact NH2-OD2 2.71Å; R582-D693 PolarHBondContact NH2-OD2 2.93Å; K593-D693 HydrophobicContact CB-CB 4.41Å; K593-D693 HydrophobicContact CD-CB 3.67Å; F594-D693 PolarHBondContact N-OD2 3.36Å; F594-D693 PolarHBondContact O-N 3.38Å; D693-A718 WeakPolarHBondContact O-CA 3.13Å; D693-S719 PolarHBondContact O-N 3.17Å
694	V	98.4	Very high	96.7	Very high	1 Å²	1	15 Å²	15	1%	0.006	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	118.5	-178.4	-172.2	0	0	0	0	109.8	F594 F595 F596 V696 S719 I721 A764	F594-V694 PolarHBondContact O-N 2.68Å; F595-V694 CarbonylContact C-O 3.5Å; F595-V694 VanDerWaalsContact CA-O 3.31Å; F595-V694 WeakPolarHBondContact CA-O 3.47Å; F595-V694 HydrophobicContact CD1-CB 3.51Å; F595-V694 HydrophobicContact CD1-CG1 3.72Å; F595-V694 HydrophobicContact CD1-CG2 4.01Å; F595-V694 HydrophobicContact CE1-CB 3.72Å; F595-V694 HydrophobicContact CE1-CG1 3.81Å; F595-V694 HydrophobicContact CE1-CG2 3.72Å; F595-V694 HydrophobicContact CG-CB 4.35Å; F595-V694 HydrophobicContact CZ-CG2 4.34Å; F596-V694 PolarHBondContact N-O 3.36Å; V694-V696 HydrophobicContact CG1-CG2 4.41Å; V694-S719 CarbonylContact C-O 3.6Å; V694-S719 WeakPolarHBondContact CA-O 3.45Å; V694-I721 HydrophobicContact CG1-CD1 4.01Å; V694-I721 HydrophobicContact CG1-CG1 3.86Å; V694-A764 HydrophobicContact CG1-CB 3.9Å; V694-A764 HydrophobicContact CG2-CB 4.12Å
695	G	98.4	Very high	96.6	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	139.2	166.8	0	0	0	0	0	110.7	F596 S719 L720 I721	F596-G695 CarbonylContact O-C 3.57Å; F596-G695 WeakPolarHBondContact O-CA 3.46Å; G695-S719 PolarHBondContact N-O 2.98Å; G695-L720 WeakPolarHBondContact O-CA 3.48Å; G695-I721 PolarHBondContact O-N 2.85Å
696	V	98.6	Very high	96.5	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	105.2	-179.1	-171.9	0	0	0	0	109.9	F595 F596 S597 K610 V694 T698 I721 F761	F595-V696 HydrophobicContact CB-CG2 4.12Å; F595-V696 HydrophobicContact CD1-CG2 3.95Å; F596-V696 PolarHBondContact O-N 2.93Å; S597-V696 WeakPolarHBondContact CB-O 3.37Å; S597-V696 PolarHBondContact OG-O 3.07Å; K610-V696 HydrophobicContact CD-CG1 3.79Å; K610-V696 HydrophobicContact CG-CG1 4.08Å; V694-V696 HydrophobicContact CG1-CG2 4.41Å; V696-T698 HydrophobicContact CG1-CG2 3.96Å; V696-I721 HydrophobicContact CG1-CB 4.37Å; V696-I721 HydrophobicContact CG2-CD1 4.35Å; V696-F761 HydrophobicContact CG1-CE1 4.23Å; V696-F761 HydrophobicContact CG1-CZ 4.08Å; V696-F761 HydrophobicContact CG2-CE1 3.99Å
697	V	98.1	Very high	96.3	Very high	3 Å²	3	13.1 Å²	13.1	2%	0.018	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	94.1	-177	178.2	0	0	0	0	109	P699 N705 V707 A708 M711 L720 I721 L722 S723	V697-P699 VanDerWaalsContact C-CD 3.41Å; V697-N705 HydrophobicContact CG1-CB 4.26Å; V697-N705 WeakPolarHBondContact CG1-ND2 3.44Å; V697-N705 WeakPolarHBondContact CG1-OD1 3.38Å; V697-V707 HydrophobicContact CG2-CG1 4.34Å; V697-A708 HydrophobicContact CB-CB 4.3Å; V697-A708 HydrophobicContact CG1-CB 4.22Å; V697-A708 HydrophobicContact CG2-CB 4Å; V697-M711 HydrophobicContact CG2-CE 4.23Å; V697-M711 HydrophobicContact CG2-SD 3.79Å; V697-L720 HydrophobicContact CG2-CD1 4.3Å; V697-I721 PolarHBondContact N-O 3.01Å; V697-L722 HydrophobicContact CB-CD1 3.85Å; V697-L722 HydrophobicContact CG1-CD1 3.84Å; V697-L722 WeakPolarHBondContact O-CA 3.27Å; V697-S723 PolarHBondContact O-N 3.3Å
698	T	97.8	Very high	96.2	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.068	C	C	.	.			trans	-129.6	57.8	-170.6	64.4	0	0	0	0	113.4	K605 K610 V696 I721 V748 I751 F757	K605-T698 VanDerWaalsContact O-O 3.12Å; K610-T698 WeakPolarHBondContact CE-OG1 3.46Å; V696-T698 HydrophobicContact CG1-CG2 3.96Å; T698-I721 HydrophobicContact CG2-CG2 4.12Å; T698-V748 HydrophobicContact CG2-CG2 4.05Å; T698-I751 WeakPolarHBondContact O-CD1 3.44Å; T698-F757 HydrophobicContact CG2-CE2 3.89Å; T698-F757 HydrophobicContact CG2-CZ 3.54Å
699	P	97.3	Very high	96.1	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.066	C	C	.	.			trans	-65.3	154.8	170.5	31.6	-36.3	0	0	0	111.1	K605 V697 D702 S723 A726	K605-P699 HydrophobicContact CD-CB 4.41Å; V697-P699 VanDerWaalsContact C-CD 3.41Å; P699-D702 HydrophobicContact CB-CB 3.73Å; P699-D702 HydrophobicContact CG-CB 3.57Å; P699-S723 WeakPolarHBondContact O-CB 3.29Å; P699-S723 PolarHBondContact O-OG 3.14Å; P699-A726 HydrophobicContact CG-CB 3.76Å
700	I	96.5	Very high	96	Very high	39 Å²	39	14.1 Å²	14.1	20%	0.2	7%	0.073	C	C	.	.	S	Bend	trans	-66	-54.6	174	-60.8	176.5	0	0	0	109	L409 Y603 T604 G725 I751	L409-I700 HydrophobicContact CD1-CD1 4.23Å; L409-I700 HydrophobicContact CD2-CD1 4.05Å; L409-I700 HydrophobicContact CD2-CG2 4.26Å; Y603-I700 WeakPolarHBondContact O-CD1 3.48Å; T604-I700 PolarHBondContact O-N 2.99Å; I700-G725 WeakPolarHBondContact O-CA 3.36Å; I700-I751 HydrophobicContact CG1-CD1 4.27Å; I700-I751 HydrophobicContact CG1-CG2 4.4Å
701	K	94.7	Very high	95.9	Very high	38 Å²	38	12 Å²	12	17%	0.165	6%	0.062	C	C	.	.	S	Bend	trans	-143.4	135.3	167.1	-65.1	-168.1	-179.5	-176.1	0	107.6	H407 N408 P481 Q483 G725	H407-K701 PolarHBondContact CD2-O 2.91Å; H407-K701 WeakPolarHBondContact O-CD 3.45Å; N408-K701 HydrophobicContact CB-CD 3.9Å; N408-K701 VanDerWaalsContact CB-NZ 3.28Å; N408-K701 PolarHBondContact ND2-NZ 3.47Å; P481-K701 HydrophobicContact CB-CB 4.4Å; P481-K701 HydrophobicContact CG-CB 4.03Å; Q483-K701 HydrophobicContact CB-CD 3.73Å; Q483-K701 HydrophobicContact CG-CD 3.86Å; K701-G725 WeakPolarHBondContact CA-O 3.05Å
702	D	94.5	Very high	95.9	Very high	19 Å²	19	11.9 Å²	11.9	10%	0.102	6%	0.061	C	C	.	.	B	Isolated β-bridge	trans	-143.2	139.6	176.1	-159.6	-28.9	0	0	0	108.8	K605 P699 N705 G725 G727	K605-D702 IonicContact NZ-OD1 3.11Å; K605-D702 IonicContact NZ-OD2 3.68Å; K605-D702 PolarHBondContact NZ-OD2 3.15Å; P699-D702 HydrophobicContact CB-CB 3.73Å; P699-D702 HydrophobicContact CG-CB 3.57Å; D702-N705 HydrophobicContact CB-CB 4.07Å; D702-N705 PolarHBondContact OD1-N 2.76Å; D702-N705 WeakPolarHBondContact OD2-CB 2.98Å; D702-N705 PolarHBondContact OD2-ND2 2.8Å; D702-G725 PolarHBondContact N-O 3.14Å; D702-G727 PolarHBondContact O-N 2.97Å
703	G	91.4	Very high	95.9	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.06	C	C	.	.	S	Bend	trans	-63.4	-50.9	-173.9	0	0	0	0	0	109.9	Q512 T513 G727	Q512-G703 WeakPolarHBondContact CB-O 3.33Å; T513-G703 WeakPolarHBondContact CG2-O 3.47Å; G703-G727 VanDerWaalsContact O-CA 3.27Å; G703-G727 WeakPolarHBondContact O-CA 3.39Å
704	M	90.8	Very high	95.9	Very high	5 Å²	5	10.7 Å²	10.7	3%	0.025	6%	0.055	C	C	.	.			trans	-124.9	-44.6	172.6	-161.2	65.3	-164.6	0	0	113.4	Q512 P557 V558 L706 K709 G727 T728 Q731	Q512-M704 HydrophobicContact CB-SD 4.25Å; Q512-M704 HydrophobicContact CG-CB 4.21Å; P557-M704 HydrophobicContact CB-CE 3.46Å; P557-M704 VanDerWaalsContact CB-CE 3.46Å; P557-M704 HydrophobicContact CB-SD 3.78Å; V558-M704 HydrophobicContact CG1-CB 3.72Å; V558-M704 HydrophobicContact CG1-CG 3.63Å; V558-M704 WeakPolarHBondContact O-CE 3.33Å; V558-M704 WeakPolarHBondContact O-CG 3.07Å; M704-L706 HydrophobicContact CG-CD2 4.08Å; M704-K709 VanDerWaalsContact CE-CE 3.46Å; M704-G727 CarbonylContact O-C 3.37Å; M704-G727 PolarHBondContact O-N 3.47Å; M704-T728 WeakPolarHBondContact O-CB 3.32Å; M704-T728 PolarHBondContact O-N 3.18Å; M704-T728 PolarHBondContact O-OG1 3.37Å; M704-Q731 HydrophobicContact CE-CB 4.15Å
705	N	92.9	Very high	95.8	Very high	11 Å²	11	11.1 Å²	11.1	6%	0.059	6%	0.057	C	C	.	.			trans	51.6	94.7	-162.1	-162.6	-65.1	0	0	0	113.2	V697 D702 V707 A726 T728	V697-N705 HydrophobicContact CG1-CB 4.26Å; V697-N705 WeakPolarHBondContact CG1-ND2 3.44Å; V697-N705 WeakPolarHBondContact CG1-OD1 3.38Å; D702-N705 HydrophobicContact CB-CB 4.07Å; D702-N705 PolarHBondContact OD1-N 2.76Å; D702-N705 WeakPolarHBondContact OD2-CB 2.98Å; D702-N705 PolarHBondContact OD2-ND2 2.8Å; N705-V707 PolarHBondContact OD1-N 3.19Å; N705-A726 HydrophobicContact CB-CB 4.18Å; N705-T728 PolarHBondContact O-OG1 3Å
706	L	93.1	Very high	95.7	Very high	35 Å²	35	13.2 Å²	13.2	18%	0.183	7%	0.071	C	C	.	.	S	Bend	trans	-76.4	-22.8	-178.8	-68.5	178.9	0	0	0	113.6	V558 I560 M704 A708 K709 E710	V558-L706 HydrophobicContact CG1-CD2 3.89Å; I560-L706 HydrophobicContact CG2-CB 3.93Å; I560-L706 HydrophobicContact CG2-CD1 4.29Å; I560-L706 HydrophobicContact CG2-CD2 3.94Å; I560-L706 HydrophobicContact CG2-CG 4.27Å; M704-L706 HydrophobicContact CG-CD2 4.08Å; L706-A708 VanDerWaalsContact C-N 3.28Å; L706-A708 PolarHBondContact O-N 3.13Å; L706-K709 HydrophobicContact CD2-CD 4.39Å; L706-K709 WeakPolarHBondContact O-CA 3.2Å; L706-K709 WeakPolarHBondContact O-CB 3.48Å; L706-K709 PolarHBondContact O-N 3.35Å; L706-E710 WeakPolarHBondContact O-CG 3.05Å; L706-E710 PolarHBondContact O-N 3.12Å; L706-E710 VanDerWaalsContact O-N 3.07Å
707	V	95	Very high	95.6	Very high	25 Å²	25	16 Å²	16	15%	0.152	9%	0.091	C	C	.	.	H	α-helix	trans	-59.4	-38.4	-172.9	175.7	0	0	0	0	111.9	C598 Y689 V697 N705 K709 E710 M711	C598-V707 WeakPolarHBondContact O-CG2 2.95Å; Y689-V707 HydrophobicContact CE1-CG1 4.39Å; V697-V707 HydrophobicContact CG2-CG1 4.34Å; N705-V707 PolarHBondContact OD1-N 3.19Å; V707-K709 VanDerWaalsContact C-N 3.25Å; V707-K709 PolarHBondContact O-N 2.83Å; V707-E710 PolarHBondContact O-N 3.1Å; V707-M711 HydrophobicContact CG1-CE 3.66Å; V707-M711 HydrophobicContact CG1-CG 4.39Å; V707-M711 HydrophobicContact CG1-SD 4.13Å; V707-M711 WeakPolarHBondContact O-CB 2.99Å; V707-M711 VanDerWaalsContact O-CG 3.3Å; V707-M711 WeakPolarHBondContact O-CG 3.37Å; V707-M711 PolarHBondContact O-N 3.17Å
708	A	95.7	Very high	95.5	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-58.6	-37.7	174.7	0	0	0	0	0	112.5	V697 L706 L712 L720 L722 T728	V697-A708 HydrophobicContact CB-CB 4.3Å; V697-A708 HydrophobicContact CG1-CB 4.22Å; V697-A708 HydrophobicContact CG2-CB 4Å; L706-A708 VanDerWaalsContact C-N 3.28Å; L706-A708 PolarHBondContact O-N 3.13Å; A708-L712 WeakPolarHBondContact O-CG 3.45Å; A708-L712 PolarHBondContact O-N 3.3Å; A708-L720 HydrophobicContact CB-CD2 4.3Å; A708-L722 HydrophobicContact CB-CD1 4.16Å; A708-T728 HydrophobicContact CB-CG2 3.93Å
709	K	95.8	Very high	95.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-71.8	-41	177.1	-58	-172.8	166.7	-171.8	0	111.3	V558 S559 I560 M704 L706 V707 M711 L712 I713 T728 Q731 L783	V558-K709 PolarHBondContact O-NZ 3.16Å; S559-K709 PolarHBondContact OG-NZ 2.74Å; I560-K709 HydrophobicContact CD1-CB 4.09Å; I560-K709 HydrophobicContact CG1-CB 4.37Å; I560-K709 HydrophobicContact CG2-CB 4.41Å; M704-K709 VanDerWaalsContact CE-CE 3.46Å; L706-K709 HydrophobicContact CD2-CD 4.39Å; L706-K709 WeakPolarHBondContact O-CA 3.2Å; L706-K709 WeakPolarHBondContact O-CB 3.48Å; L706-K709 PolarHBondContact O-N 3.35Å; V707-K709 VanDerWaalsContact C-N 3.25Å; V707-K709 PolarHBondContact O-N 2.83Å; K709-M711 VanDerWaalsContact C-N 3.32Å; K709-M711 PolarHBondContact O-N 3.08Å; K709-L712 PolarHBondContact O-N 3.32Å; K709-I713 WeakPolarHBondContact O-CB 3.26Å; K709-I713 WeakPolarHBondContact O-CG1 3.39Å; K709-I713 PolarHBondContact O-N 2.8Å; K709-T728 HydrophobicContact CG-CG2 4.08Å; K709-Q731 VanDerWaalsContact CE-OE1 3.28Å; K709-L783 HydrophobicContact CB-CD1 4.27Å; K709-L783 HydrophobicContact CB-CD2 4.06Å; K709-L783 HydrophobicContact CD-CD2 3.77Å; K709-L783 HydrophobicContact CG-CD2 3.68Å
710	E	96.1	Very high	95.5	Very high	34 Å²	34	16.6 Å²	16.6	16%	0.159	10%	0.095	C	C	.	.	H	α-helix	trans	-60.1	-45.5	177.7	-61.5	173.2	-154.1	0	0	110.8	I560 F565 Y689 L706 V707 C714	I560-E710 HydrophobicContact CD1-CB 4.25Å; I560-E710 HydrophobicContact CD1-CG 3.81Å; I560-E710 HydrophobicContact CG2-CG 3.86Å; F565-E710 HydrophobicContact CD1-CB 4.28Å; F565-E710 HydrophobicContact CD1-CG 4.39Å; F565-E710 HydrophobicContact CE1-CB 3.9Å; F565-E710 HydrophobicContact CE1-CG 3.71Å; F565-E710 HydrophobicContact CE2-CG 4.05Å; F565-E710 HydrophobicContact CZ-CB 4.23Å; F565-E710 VanDerWaalsContact CZ-CD 3.47Å; F565-E710 HydrophobicContact CZ-CG 3.51Å; Y689-E710 HydrophobicContact CD2-CB 4.44Å; Y689-E710 HydrophobicContact CE2-CB 3.67Å; Y689-E710 PolarHBondContact OH-OE2 3.46Å; Y689-E710 VanDerWaalsContact OH-OE2 3.07Å; L706-E710 WeakPolarHBondContact O-CG 3.05Å; L706-E710 PolarHBondContact O-N 3.12Å; L706-E710 VanDerWaalsContact O-N 3.07Å; V707-E710 PolarHBondContact O-N 3.1Å; E710-C714 WeakPolarHBondContact O-CB 3.02Å; E710-C714 PolarHBondContact O-N 3.01Å; E710-C714 PolarHBondContact O-SG 2.84Å
711	M	97.4	Very high	95.6	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-54.5	-54.2	174.2	-78.5	174.2	175.5	0	0	112.1	F596 Y689 M692 V697 V707 K709 C714 N715 L720	F596-M711 HydrophobicContact CD1-CE 3.84Å; F596-M711 HydrophobicContact CE1-CE 4.37Å; F596-M711 WeakPolarHBondContact O-CE 3.32Å; Y689-M711 HydrophobicContact CD1-CB 4.38Å; Y689-M711 HydrophobicContact CD1-CE 4.39Å; Y689-M711 HydrophobicContact CD1-CG 3.46Å; Y689-M711 VanDerWaalsContact CD1-CG 3.46Å; Y689-M711 HydrophobicContact CE1-CE 3.99Å; Y689-M711 HydrophobicContact CE1-CG 3.47Å; Y689-M711 VanDerWaalsContact CE1-CG 3.47Å; Y689-M711 HydrophobicContact CG-CG 4.28Å; M692-M711 HydrophobicContact CE-CB 3.49Å; M692-M711 VanDerWaalsContact CE-CB 3.49Å; M692-M711 HydrophobicContact CE-CG 3.74Å; M692-M711 HydrophobicContact CE-SD 4.5Å; M692-M711 HydrophobicContact SD-CB 4.36Å; M692-M711 HydrophobicContact SD-CG 3.92Å; M692-M711 HydrophobicContact SD-SD 4.3Å; V697-M711 HydrophobicContact CG2-CE 4.23Å; V697-M711 HydrophobicContact CG2-SD 3.79Å; V707-M711 HydrophobicContact CG1-CE 3.66Å; V707-M711 HydrophobicContact CG1-CG 4.39Å; V707-M711 HydrophobicContact CG1-SD 4.13Å; V707-M711 WeakPolarHBondContact O-CB 2.99Å; V707-M711 VanDerWaalsContact O-CG 3.3Å; V707-M711 WeakPolarHBondContact O-CG 3.37Å; V707-M711 PolarHBondContact O-N 3.17Å; K709-M711 VanDerWaalsContact C-N 3.32Å; K709-M711 PolarHBondContact O-N 3.08Å; M711-C714 PolarHBondContact O-N 3.49Å; M711-N715 PolarHBondContact O-N 3.44Å; M711-L720 HydrophobicContact SD-CD1 4.34Å
712	L	96.6	Very high	95.8	Very high	3 Å²	3	13 Å²	13	2%	0.016	8%	0.078	C	C	.	.	H	α-helix	trans	-75.1	-28.8	-174.4	-68.2	172.9	0	0	0	114	A708 K709 L720 F732 L779 H780 L783	A708-L712 WeakPolarHBondContact O-CG 3.45Å; A708-L712 PolarHBondContact O-N 3.3Å; K709-L712 PolarHBondContact O-N 3.32Å; L712-L720 HydrophobicContact CD1-CD2 4.05Å; L712-F732 HydrophobicContact CD1-CE2 3.79Å; L712-F732 HydrophobicContact CD1-CZ 3.96Å; L712-L779 HydrophobicContact CD1-CB 4.12Å; L712-L779 HydrophobicContact CD1-CD1 3.85Å; L712-L779 HydrophobicContact CD2-CD1 4.37Å; L712-H780 PolarHBondContact O-ND1 3.15Å; L712-L783 HydrophobicContact CB-CD1 3.72Å; L712-L783 HydrophobicContact CD1-CD1 4.28Å
713	I	96.8	Very high	95.9	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-69.1	-43.5	171.5	-77.2	-62	0	0	0	110.6	I560 F565 L566 K709 H780 L783 L784	I560-I713 HydrophobicContact CD1-CB 4.13Å; I560-I713 HydrophobicContact CD1-CG1 3.99Å; F565-I713 HydrophobicContact CB-CG2 4Å; L566-I713 HydrophobicContact CD2-CG2 3.97Å; L566-I713 HydrophobicContact CG-CG2 3.92Å; K709-I713 WeakPolarHBondContact O-CB 3.26Å; K709-I713 WeakPolarHBondContact O-CG1 3.39Å; K709-I713 PolarHBondContact O-N 2.8Å; I713-H780 PolarHBondContact O-CE1 3.46Å; I713-H780 VanDerWaalsContact O-CE1 3.3Å; I713-L783 HydrophobicContact CD1-CB 3.48Å; I713-L783 VanDerWaalsContact CD1-CB 3.48Å; I713-L783 HydrophobicContact CD1-CD1 4.29Å; I713-L783 HydrophobicContact CG1-CB 3.94Å; I713-L783 HydrophobicContact CG1-CD1 4.02Å; I713-L784 HydrophobicContact CD1-CD2 4.18Å; I713-L784 HydrophobicContact CD1-CG 4.44Å
714	C	97.4	Very high	96.2	Very high	10 Å²	10	13.4 Å²	13.4	7%	0.068	8%	0.082	C	C	.	.	H	α-helix	trans	-73.8	-40.5	-179.7	-63.5	0	0	0	0	112.6	A569 V686 Y689 L690 E710 M711	A569-C714 HydrophobicContact CB-CB 4.21Å; V686-C714 HydrophobicContact CG1-CB 4.42Å; Y689-C714 HydrophobicContact CD2-CB 4.29Å; L690-C714 VanDerWaalsContact CD2-O 3.29Å; L690-C714 WeakPolarHBondContact CD2-O 3.44Å; E710-C714 WeakPolarHBondContact O-CB 3.02Å; E710-C714 PolarHBondContact O-N 3.01Å; E710-C714 PolarHBondContact O-SG 2.84Å; M711-C714 PolarHBondContact O-N 3.49Å
715	N	97.2	Very high	96.4	Very high	10 Å²	10	13.4 Å²	13.4	5%	0.053	8%	0.083	C	C	.	.			trans	-136.6	84.8	-174.1	-176.2	3.1	0	0	0	111.1	Y689 M692 M711 S717 A718	Y689-N715 WeakPolarHBondContact O-CB 2.89Å; Y689-N715 PolarHBondContact O-ND2 3.45Å; M692-N715 HydrophobicContact CE-CB 4.2Å; M692-N715 PolarHBondContact O-ND2 3.35Å; M692-N715 VanDerWaalsContact O-ND2 3.13Å; M711-N715 PolarHBondContact O-N 3.44Å; N715-S717 PolarHBondContact O-N 3.48Å; N715-S717 VanDerWaalsContact O-N 3.16Å; N715-S717 PolarHBondContact OD1-N 2.93Å; N715-S717 VanDerWaalsContact OD1-N 3.13Å; N715-S717 PolarHBondContact OD1-OG 3.23Å; N715-A718 HydrophobicContact CB-CB 4.45Å; N715-A718 PolarHBondContact O-N 2.94Å; N715-A718 PolarHBondContact OD1-N 3.06Å
716	P	96	Very high	96.6	Very high	45 Å²	45	12.9 Å²	12.9	29%	0.292	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-1.2	176.3	31.1	-36.8	0	0	0	113.5	G776 H780	P716-G776 VanDerWaalsContact O-CA 3.28Å; P716-G776 WeakPolarHBondContact O-CA 3.35Å; P716-H780 HydrophobicContact CB-CB 3.88Å
717	S	95.9	Very high	96.8	Very high	58 Å²	58	11.2 Å²	11.2	41%	0.406	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	3.1	175.5	68.7	0	0	0	0	113.6	N715 V772	N715-S717 PolarHBondContact O-N 3.48Å; N715-S717 VanDerWaalsContact O-N 3.16Å; N715-S717 PolarHBondContact OD1-N 2.93Å; N715-S717 VanDerWaalsContact OD1-N 3.13Å; N715-S717 PolarHBondContact OD1-OG 3.23Å; S717-V772 WeakPolarHBondContact O-CG1 3.24Å
718	A	96.5	Very high	96.9	Very high	3 Å²	3	10 Å²	10	3%	0.025	6%	0.064	C	C	.	.	S	Bend	trans	-89.3	143.6	173.4	0	0	0	0	0	111.3	M692 D693 N715	M692-A718 HydrophobicContact CE-CB 3.51Å; M692-A718 HydrophobicContact CG-CB 3.86Å; M692-A718 HydrophobicContact SD-CB 4.49Å; D693-A718 WeakPolarHBondContact O-CA 3.13Å; N715-A718 HydrophobicContact CB-CB 4.45Å; N715-A718 PolarHBondContact O-N 2.94Å; N715-A718 PolarHBondContact OD1-N 3.06Å
719	S	97.7	Very high	97	Very high	10 Å²	10	10 Å²	10	7%	0.07	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	165.1	166.8	-171.9	0	0	0	0	110	D693 V694 G695 H746 E767	D693-S719 PolarHBondContact O-N 3.17Å; V694-S719 CarbonylContact C-O 3.6Å; V694-S719 WeakPolarHBondContact CA-O 3.45Å; G695-S719 PolarHBondContact N-O 2.98Å; S719-H746 PolarHBondContact OG-CD2 3.29Å; S719-E767 WeakPolarHBondContact CB-OE2 3.33Å; S719-E767 PolarHBondContact OG-OE2 3Å
720	L	98	Very high	96.9	Very high	3 Å²	3	12.1 Å²	12.1	2%	0.016	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	130.4	-179.4	-172.7	71.9	0	0	0	110.5	G695 V697 A708 M711 L712 L722 Y745 H746	G695-L720 WeakPolarHBondContact O-CA 3.48Å; V697-L720 HydrophobicContact CG2-CD1 4.3Å; A708-L720 HydrophobicContact CB-CD2 4.3Å; M711-L720 HydrophobicContact SD-CD1 4.34Å; L712-L720 HydrophobicContact CD1-CD2 4.05Å; L720-L722 HydrophobicContact CD2-CB 4.01Å; L720-L722 HydrophobicContact CD2-CD1 4.37Å; L720-L722 HydrophobicContact CD2-CD2 3.96Å; L720-L722 HydrophobicContact CD2-CG 4.34Å; L720-L722 HydrophobicContact CG-CB 4.15Å; L720-Y745 WeakPolarHBondContact O-CB 3.16Å; L720-H746 PolarHBondContact O-N 3.39Å
721	I	98.6	Very high	96.9	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	117.5	162.6	-59.3	174	0	0	0	107.2	F595 V694 G695 V696 V697 T698 H746 V748 F757 F761 A764	F595-I721 HydrophobicContact CD1-CD1 4.49Å; F595-I721 HydrophobicContact CE1-CD1 4.23Å; V694-I721 HydrophobicContact CG1-CD1 4.01Å; V694-I721 HydrophobicContact CG1-CG1 3.86Å; G695-I721 PolarHBondContact O-N 2.85Å; V696-I721 HydrophobicContact CG1-CB 4.37Å; V696-I721 HydrophobicContact CG2-CD1 4.35Å; V697-I721 PolarHBondContact N-O 3.01Å; T698-I721 HydrophobicContact CG2-CG2 4.12Å; I721-H746 CarbonylContact C-O 3.55Å; I721-H746 WeakPolarHBondContact CA-O 3.46Å; I721-H746 HydrophobicContact CG1-CB 4.08Å; I721-V748 HydrophobicContact CG2-CG2 3.56Å; I721-F757 HydrophobicContact CG2-CE2 4.03Å; I721-F761 HydrophobicContact CD1-CD1 3.71Å; I721-F761 HydrophobicContact CD1-CE1 4.01Å; I721-F761 HydrophobicContact CD1-CG 4.14Å; I721-A764 HydrophobicContact CD1-CB 3.91Å; I721-A764 HydrophobicContact CG1-CB 3.95Å
722	L	98.2	Very high	96.9	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	126.9	-170.6	-172	61.2	0	0	0	111.2	V697 A708 L720 A726 E729 F732 Y745 H746 R747 V748	V697-L722 HydrophobicContact CB-CD1 3.85Å; V697-L722 HydrophobicContact CG1-CD1 3.84Å; V697-L722 WeakPolarHBondContact O-CA 3.27Å; A708-L722 HydrophobicContact CB-CD1 4.16Å; L720-L722 HydrophobicContact CD2-CB 4.01Å; L720-L722 HydrophobicContact CD2-CD1 4.37Å; L720-L722 HydrophobicContact CD2-CD2 3.96Å; L720-L722 HydrophobicContact CD2-CG 4.34Å; L720-L722 HydrophobicContact CG-CB 4.15Å; L722-A726 HydrophobicContact CD1-CB 3.91Å; L722-E729 HydrophobicContact CD2-CB 3.61Å; L722-E729 HydrophobicContact CD2-CG 3.77Å; L722-E729 HydrophobicContact CG-CB 3.74Å; L722-E729 HydrophobicContact CG-CG 3.84Å; L722-F732 HydrophobicContact CD2-CD2 4.08Å; L722-Y745 HydrophobicContact CB-CD2 3.83Å; L722-Y745 HydrophobicContact CB-CE2 4.17Å; L722-Y745 HydrophobicContact CD2-CD2 4.19Å; L722-Y745 HydrophobicContact CD2-CE2 3.99Å; L722-H746 PolarHBondContact N-O 2.84Å; L722-R747 CarbonylContact O-C 3.58Å; L722-R747 VanDerWaalsContact O-CA 3.32Å; L722-R747 WeakPolarHBondContact O-CA 3.45Å; L722-V748 PolarHBondContact O-N 3.3Å
723	S	97.9	Very high	96.8	Very high	3 Å²	3	12.6 Å²	12.6	2%	0.021	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	139.3	175.6	170	0	0	0	0	112.1	V697 P699 G725 A726 E729	V697-S723 PolarHBondContact O-N 3.3Å; P699-S723 WeakPolarHBondContact O-CB 3.29Å; P699-S723 PolarHBondContact O-OG 3.14Å; S723-G725 PolarHBondContact O-N 3.05Å; S723-G725 PolarHBondContact OG-N 2.81Å; S723-A726 WeakPolarHBondContact O-CB 3.48Å; S723-A726 PolarHBondContact O-N 3.08Å; S723-E729 VanDerWaalsContact O-CB 3.26Å; S723-E729 WeakPolarHBondContact O-CB 3.42Å; S723-E729 WeakPolarHBondContact O-CG 2.9Å
724	S	96.4	Very high	96.6	Very high	26 Å²	26	16.7 Å²	16.7	18%	0.182	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-20	168	70.3	0	0	0	0	112.8	R515 A726 E729 Q730 V748 E749	R515-S724 PolarHBondContact NH1-O 2.96Å; S724-A726 VanDerWaalsContact C-N 3.35Å; S724-E729 WeakPolarHBondContact CA-OE2 3.34Å; S724-Q730 PolarHBondContact O-NE2 2.79Å; S724-V748 PolarHBondContact N-O 3.47Å; S724-V748 PolarHBondContact OG-O 3Å; S724-E749 PolarHBondContact OG-O 3.1Å
725	G	96	Very high	96.4	Very high	4 Å²	4	18.8 Å²	18.8	4%	0.041	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-24.6	173.5	0	0	0	0	0	114.7	R515 I700 K701 D702 S723	R515-G725 PolarHBondContact NH1-O 2.97Å; R515-G725 PolarHBondContact NH2-O 3.35Å; I700-G725 WeakPolarHBondContact O-CA 3.36Å; K701-G725 WeakPolarHBondContact CA-O 3.05Å; D702-G725 PolarHBondContact N-O 3.14Å; S723-G725 PolarHBondContact O-N 3.05Å; S723-G725 PolarHBondContact OG-N 2.81Å
726	A	97.4	Very high	96.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-79.8	133.9	-177	0	0	0	0	0	112.3	P699 N705 L722 S723 S724 T728 E729 Q730	P699-A726 HydrophobicContact CG-CB 3.76Å; N705-A726 HydrophobicContact CB-CB 4.18Å; L722-A726 HydrophobicContact CD1-CB 3.91Å; S723-A726 WeakPolarHBondContact O-CB 3.48Å; S723-A726 PolarHBondContact O-N 3.08Å; S724-A726 VanDerWaalsContact C-N 3.35Å; A726-T728 VanDerWaalsContact C-N 3.29Å; A726-T728 PolarHBondContact O-N 3.43Å; A726-E729 HydrophobicContact CB-CB 4.29Å; A726-E729 WeakPolarHBondContact O-CA 3.03Å; A726-E729 WeakPolarHBondContact O-CB 3Å; A726-E729 PolarHBondContact O-N 3.31Å; A726-Q730 PolarHBondContact O-N 3.05Å
727	G	96.6	Very high	96.4	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62.1	-31.1	176.7	0	0	0	0	0	115.3	D702 G703 M704 E729 Q730 Q731	D702-G727 PolarHBondContact O-N 2.97Å; G703-G727 VanDerWaalsContact O-CA 3.27Å; G703-G727 WeakPolarHBondContact O-CA 3.39Å; M704-G727 CarbonylContact O-C 3.37Å; M704-G727 PolarHBondContact O-N 3.47Å; G727-E729 PolarHBondContact O-N 3.41Å; G727-Q730 WeakPolarHBondContact O-CB 3.35Å; G727-Q730 PolarHBondContact O-N 3.34Å; G727-Q730 VanDerWaalsContact O-N 3.13Å; G727-Q731 PolarHBondContact O-N 2.83Å
728	T	96.9	Very high	96.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-60.5	-35.7	171.4	-69.8	0	0	0	0	110.9	M704 N705 A708 K709 A726 Q731 F732	M704-T728 WeakPolarHBondContact O-CB 3.32Å; M704-T728 PolarHBondContact O-N 3.18Å; M704-T728 PolarHBondContact O-OG1 3.37Å; N705-T728 PolarHBondContact O-OG1 3Å; A708-T728 HydrophobicContact CB-CG2 3.93Å; K709-T728 HydrophobicContact CG-CG2 4.08Å; A726-T728 VanDerWaalsContact C-N 3.29Å; A726-T728 PolarHBondContact O-N 3.43Å; T728-Q731 PolarHBondContact O-N 2.8Å; T728-F732 HydrophobicContact CG2-CD1 4.45Å; T728-F732 HydrophobicContact CG2-CD2 3.98Å; T728-F732 HydrophobicContact CG2-CE1 4.08Å; T728-F732 HydrophobicContact CG2-CE2 3.57Å; T728-F732 HydrophobicContact CG2-CG 4.41Å; T728-F732 HydrophobicContact CG2-CZ 3.63Å; T728-F732 WeakPolarHBondContact O-CB 3.44Å; T728-F732 VanDerWaalsContact O-CG 3.29Å; T728-F732 WeakPolarHBondContact O-CG 3.31Å; T728-F732 PolarHBondContact O-N 2.92Å
729	E	97.3	Very high	96.2	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-64.5	-46.4	173.2	-159.1	-74.4	138.3	0	0	111	L722 S723 S724 A726 G727 Q731 F732 G733 Y745 R747	L722-E729 HydrophobicContact CD2-CB 3.61Å; L722-E729 HydrophobicContact CD2-CG 3.77Å; L722-E729 HydrophobicContact CG-CB 3.74Å; L722-E729 HydrophobicContact CG-CG 3.84Å; S723-E729 VanDerWaalsContact O-CB 3.26Å; S723-E729 WeakPolarHBondContact O-CB 3.42Å; S723-E729 WeakPolarHBondContact O-CG 2.9Å; S724-E729 WeakPolarHBondContact CA-OE2 3.34Å; A726-E729 HydrophobicContact CB-CB 4.29Å; A726-E729 WeakPolarHBondContact O-CA 3.03Å; A726-E729 WeakPolarHBondContact O-CB 3Å; A726-E729 PolarHBondContact O-N 3.31Å; G727-E729 PolarHBondContact O-N 3.41Å; E729-Q731 VanDerWaalsContact C-N 3.27Å; E729-Q731 PolarHBondContact O-N 3.01Å; E729-F732 PolarHBondContact O-N 3.16Å; E729-F732 VanDerWaalsContact O-N 3.14Å; E729-G733 PolarHBondContact O-N 2.64Å; E729-Y745 HydrophobicContact CG-CE2 3.91Å; E729-Y745 PolarHBondContact OE1-OH 3.36Å; E729-R747 HydrophobicContact CG-CG 4.48Å; E729-R747 WeakPolarHBondContact OE1-CD 3.42Å; E729-R747 IonicContact OE1-CZ 3.58Å; E729-R747 IonicContact OE1-NE 3.74Å; E729-R747 PolarHBondContact OE1-NE 3.47Å; E729-R747 IonicContact OE1-NH2 3.38Å; E729-R747 PolarHBondContact OE1-NH2 2.82Å; E729-R747 IonicContact OE2-CZ 3.09Å; E729-R747 IonicContact OE2-NE 2.68Å; E729-R747 PolarHBondContact OE2-NE 3.14Å; E729-R747 IonicContact OE2-NH2 3.42Å; E729-R747 PolarHBondContact OE2-NH2 3.29Å
730	Q	95.2	Very high	95.8	Very high	43 Å²	43	27.6 Å²	27.6	20%	0.201	17%	0.171	C	C	.	.	H	α-helix	trans	-59.7	-38.7	177.7	-62.7	-67	-69.2	0	0	111.9	T513 S724 A726 G727 S734	T513-Q730 HydrophobicContact CG2-CB 3.91Å; T513-Q730 HydrophobicContact CG2-CG 4.15Å; S724-Q730 PolarHBondContact O-NE2 2.79Å; A726-Q730 PolarHBondContact O-N 3.05Å; G727-Q730 WeakPolarHBondContact O-CB 3.35Å; G727-Q730 PolarHBondContact O-N 3.34Å; G727-Q730 VanDerWaalsContact O-N 3.13Å; Q730-S734 VanDerWaalsContact O-CB 3.3Å; Q730-S734 WeakPolarHBondContact O-CB 3.3Å; Q730-S734 PolarHBondContact O-N 3.3Å; Q730-S734 VanDerWaalsContact O-N 3.09Å; Q730-S734 PolarHBondContact O-OG 3.15Å
731	Q	95.9	Very high	95.5	Very high	22 Å²	22	33 Å²	33	10%	0.103	21%	0.208	C	C	.	.	H	α-helix	trans	-65.8	-47.1	174.2	-175.6	178.8	28.6	0	0	111.5	P557 M704 K709 G727 T728 E729 S735 F782	P557-Q731 HydrophobicContact CB-CB 4.46Å; P557-Q731 HydrophobicContact CB-CG 4.23Å; P557-Q731 HydrophobicContact CG-CG 4.24Å; M704-Q731 HydrophobicContact CE-CB 4.15Å; K709-Q731 VanDerWaalsContact CE-OE1 3.28Å; G727-Q731 PolarHBondContact O-N 2.83Å; T728-Q731 PolarHBondContact O-N 2.8Å; E729-Q731 VanDerWaalsContact C-N 3.27Å; E729-Q731 PolarHBondContact O-N 3.01Å; Q731-S735 WeakPolarHBondContact O-CB 3.5Å; Q731-S735 PolarHBondContact O-N 3.11Å; Q731-S735 PolarHBondContact O-OG 2.95Å; Q731-F782 HydrophobicContact CG-CE1 4.14Å; Q731-F782 HydrophobicContact CG-CZ 3.94Å
732	F	96.8	Very high	95.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-66.4	-44	-179	-72.1	-9.2	0	0	0	112.6	L712 L722 T728 E729 S735 G736 F737 Y745 L779 F782 L783	L712-F732 HydrophobicContact CD1-CE2 3.79Å; L712-F732 HydrophobicContact CD1-CZ 3.96Å; L722-F732 HydrophobicContact CD2-CD2 4.08Å; T728-F732 HydrophobicContact CG2-CD1 4.45Å; T728-F732 HydrophobicContact CG2-CD2 3.98Å; T728-F732 HydrophobicContact CG2-CE1 4.08Å; T728-F732 HydrophobicContact CG2-CE2 3.57Å; T728-F732 HydrophobicContact CG2-CG 4.41Å; T728-F732 HydrophobicContact CG2-CZ 3.63Å; T728-F732 WeakPolarHBondContact O-CB 3.44Å; T728-F732 VanDerWaalsContact O-CG 3.29Å; T728-F732 WeakPolarHBondContact O-CG 3.31Å; T728-F732 PolarHBondContact O-N 2.92Å; E729-F732 PolarHBondContact O-N 3.16Å; E729-F732 VanDerWaalsContact O-N 3.14Å; F732-S735 CarbonylContact O-C 3.6Å; F732-S735 PolarHBondContact O-N 2.82Å; F732-S735 VanDerWaalsContact O-N 3.16Å; F732-G736 PolarHBondContact O-N 3.11Å; F732-F737 HydrophobicContact CB-CB 4.2Å; F732-F737 HydrophobicContact CB-CD2 4.25Å; F732-F737 HydrophobicContact CD1-CD2 4.3Å; F732-F737 HydrophobicContact CG-CD2 4.48Å; F732-F737 WeakPolarHBondContact O-CD2 3.31Å; F732-F737 PolarHBondContact O-N 3.39Å; F732-Y745 HydrophobicContact CB-CE1 3.77Å; F732-Y745 HydrophobicContact CD2-CD1 4.29Å; F732-Y745 AromaticContact CD2-CE1 3.93Å; F732-Y745 HydrophobicContact CD2-CE1 3.93Å; F732-Y745 HydrophobicContact CG-CE1 4.35Å; F732-L779 HydrophobicContact CD1-CD2 4.26Å; F732-L779 HydrophobicContact CD2-CD2 3.9Å; F732-L779 HydrophobicContact CE1-CD2 4.23Å; F732-L779 HydrophobicContact CE2-CD2 3.87Å; F732-L779 HydrophobicContact CG-CD2 4.1Å; F732-L779 HydrophobicContact CZ-CD2 4.04Å; F732-F782 HydrophobicContact CD1-CD1 4.23Å; F732-F782 HydrophobicContact CD1-CE1 4.02Å; F732-F782 AromaticContact CE1-CD1 3.86Å; F732-F782 HydrophobicContact CE1-CD1 3.86Å; F732-F782 AromaticContact CE1-CE1 3.89Å; F732-F782 HydrophobicContact CE1-CE1 3.89Å; F732-L783 HydrophobicContact CE1-CD2 4.01Å; F732-L783 HydrophobicContact CZ-CD1 4.41Å; F732-L783 HydrophobicContact CZ-CD2 4.12Å; F732-L783 HydrophobicContact CZ-CG 4.43Å
733	G	94.3	Very high	95	Very high	26 Å²	26	45.4 Å²	45.4	27%	0.268	26%	0.255	S	S	.	.	H	α-helix	trans	-58.7	-49	174.8	0	0	0	0	0	111.7	E729 S735 G736	E729-G733 PolarHBondContact O-N 2.64Å; G733-S735 PolarHBondContact O-N 2.63Å; G733-G736 PolarHBondContact O-N 3.06Å
734	S	91.5	Very high	94.9	Very high	86 Å²	86	45.7 Å²	45.7	60%	0.601	26%	0.257	S	S	*	.	H	α-helix	trans	-64.6	-22.6	177.4	-54.8	0	0	0	0	113.4	Q730	Q730-S734 VanDerWaalsContact O-CB 3.3Å; Q730-S734 WeakPolarHBondContact O-CB 3.3Å; Q730-S734 PolarHBondContact O-N 3.3Å; Q730-S734 VanDerWaalsContact O-N 3.09Å; Q730-S734 PolarHBondContact O-OG 3.15Å
735	S	94.5	Very high	95	Very high	55 Å²	55	44.6 Å²	44.6	39%	0.385	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	4.6	176.9	-52.8	0	0	0	0	113.4	Q731 F732 G733	Q731-S735 WeakPolarHBondContact O-CB 3.5Å; Q731-S735 PolarHBondContact O-N 3.11Å; Q731-S735 PolarHBondContact O-OG 2.95Å; F732-S735 CarbonylContact O-C 3.6Å; F732-S735 PolarHBondContact O-N 2.82Å; F732-S735 VanDerWaalsContact O-N 3.16Å; G733-S735 PolarHBondContact O-N 2.63Å
736	G	95.4	Very high	95.1	Very high	29 Å²	29	45.7 Å²	45.7	30%	0.299	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	15.4	175.7	0	0	0	0	0	115.5	F732 G733 Y738	F732-G736 PolarHBondContact O-N 3.11Å; G733-G736 PolarHBondContact O-N 3.06Å; G736-Y738 VanDerWaalsContact C-N 3.28Å
737	F	96.7	Very high	95.1	Very high	20 Å²	20	48.1 Å²	48.1	9%	0.088	26%	0.262	C	S	.	.	S	Bend	trans	-80.3	-10.5	175.7	-63.7	-69.6	0	0	0	113.6	F732 C744 Y745 L778 L779 F782	F732-F737 HydrophobicContact CB-CB 4.2Å; F732-F737 HydrophobicContact CB-CD2 4.25Å; F732-F737 HydrophobicContact CD1-CD2 4.3Å; F732-F737 HydrophobicContact CG-CD2 4.48Å; F732-F737 WeakPolarHBondContact O-CD2 3.31Å; F732-F737 PolarHBondContact O-N 3.39Å; F737-C744 HydrophobicContact CB-CB 4.29Å; F737-C744 PolarHBondContact O-N 2.89Å; F737-C744 PolarHBondContact O-SG 3.15Å; F737-Y745 HydrophobicContact CB-CE1 4.3Å; F737-L778 HydrophobicContact CE1-CB 4.14Å; F737-L779 HydrophobicContact CB-CD2 3.93Å; F737-L779 HydrophobicContact CD1-CD2 3.81Å; F737-L779 HydrophobicContact CD2-CD2 4.03Å; F737-L779 HydrophobicContact CE1-CD2 4.37Å; F737-L779 HydrophobicContact CG-CD2 3.64Å; F737-F782 HydrophobicContact CE2-CB 3.92Å; F737-F782 HydrophobicContact CE2-CD1 4.1Å; F737-F782 AromaticContact CE2-CD2 3.55Å; F737-F782 HydrophobicContact CE2-CD2 3.55Å; F737-F782 HydrophobicContact CE2-CE2 4.03Å; F737-F782 AromaticContact CE2-CG 3.57Å; F737-F782 HydrophobicContact CE2-CG 3.57Å; F737-F782 HydrophobicContact CE2-CZ 4.5Å; F737-F782 HydrophobicContact CZ-CB 3.59Å; F737-F782 AromaticContact CZ-CD2 3.81Å; F737-F782 HydrophobicContact CZ-CD2 3.81Å; F737-F782 AromaticContact CZ-CG 3.77Å; F737-F782 HydrophobicContact CZ-CG 3.77Å
738	Y	95.8	Very high	95.1	Very high	49 Å²	49	48.2 Å²	48.2	19%	0.192	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	96.4	174.7	-161.3	-89.9	0	0	0	110.6	G736 R742 R743 Y745 R747	G736-Y738 VanDerWaalsContact C-N 3.28Å; Y738-R742 CarbonylContact C-O 3.53Å; Y738-R742 WeakPolarHBondContact CA-O 3.25Å; Y738-R743 HydrophobicContact CD2-CB 4.12Å; Y738-R743 HydrophobicContact CD2-CG 4.16Å; Y738-R743 HydrophobicContact CE2-CB 3.96Å; Y738-R743 HydrophobicContact CE2-CG 3.88Å; Y738-Y745 WeakPolarHBondContact CB-OH 3.33Å; Y738-Y745 HydrophobicContact CD2-CD2 4.11Å; Y738-Y745 HydrophobicContact CD2-CE1 4.35Å; Y738-Y745 AromaticContact CD2-CE2 3.77Å; Y738-Y745 HydrophobicContact CD2-CE2 3.77Å; Y738-Y745 AromaticContact CD2-CZ 3.91Å; Y738-Y745 HydrophobicContact CE2-CE2 4.43Å; Y738-Y745 WeakPolarHBondContact CE2-O 3.26Å; Y738-Y745 HydrophobicContact CG-CE2 4.21Å; Y738-R747 HydrophobicContact CD2-CB 4.09Å; Y738-R747 HydrophobicContact CE1-CB 3.93Å; Y738-R747 HydrophobicContact CE1-CG 4.29Å; Y738-R747 HydrophobicContact CE2-CB 3.45Å; Y738-R747 VanDerWaalsContact CE2-CB 3.45Å; Y738-R747 WeakPolarHBondContact OH-CB 3.48Å
739	T	93.8	Very high	95.1	Very high	53 Å²	53	52.2 Å²	52.2	33%	0.325	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	171.8	179.1	66.8	0	0	0	0	109.4	S741 R742 R743	T739-S741 PolarHBondContact O-N 3.17Å; T739-S741 PolarHBondContact OG1-N 2.98Å; T739-S741 PolarHBondContact OG1-OG 2.89Å; T739-S741 VanDerWaalsContact OG1-OG 3.09Å; T739-R742 PolarHBondContact N-O 3.5Å; T739-R742 CarbonylContact O-C 3.57Å; T739-R742 PolarHBondContact O-N 3.43Å; T739-R742 PolarHBondContact OG1-N 2.97Å; T739-R743 WeakPolarHBondContact O-CG 3.24Å
740	D	89.6	Confident	95	Very high	160 Å²	160	55.8 Å²	55.8	86%	0.856	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-29.8	175.6	-67.2	-33.3	0	0	0	113.2
741	S	89.8	Confident	95	Very high	116 Å²	116	54.3 Å²	54.3	81%	0.811	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-20	-179.8	68.2	0	0	0	0	114.3	T739	T739-S741 PolarHBondContact O-N 3.17Å; T739-S741 PolarHBondContact OG1-N 2.98Å; T739-S741 PolarHBondContact OG1-OG 2.89Å; T739-S741 VanDerWaalsContact OG1-OG 3.09Å
742	R	91.7	Very high	95	Very high	119 Å²	119	58.4 Å²	58.4	45%	0.449	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	120.8	-172.9	178.7	-177.9	-67.3	179.8	-2.1	110.6	Y738 T739	Y738-R742 CarbonylContact C-O 3.53Å; Y738-R742 WeakPolarHBondContact CA-O 3.25Å; T739-R742 PolarHBondContact N-O 3.5Å; T739-R742 CarbonylContact O-C 3.57Å; T739-R742 PolarHBondContact O-N 3.43Å; T739-R742 PolarHBondContact OG1-N 2.97Å
743	R	94.9	Very high	95	Very high	142 Å²	142	61.4 Å²	61.4	54%	0.536	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	98.8	175.4	-61.8	-179.5	-177.2	-178.4	-3	108.5	Y738 T739 Y745 N775	Y738-R743 HydrophobicContact CD2-CB 4.12Å; Y738-R743 HydrophobicContact CD2-CG 4.16Å; Y738-R743 HydrophobicContact CE2-CB 3.96Å; Y738-R743 HydrophobicContact CE2-CG 3.88Å; T739-R743 WeakPolarHBondContact O-CG 3.24Å; R743-Y745 PolarHBondContact O-N 2.91Å; R743-N775 PolarHBondContact O-ND2 3.11Å
744	C	96.7	Very high	95.2	Very high	8 Å²	8	62.3 Å²	62.3	5%	0.054	33%	0.333	C	S	.	.	S	Bend	trans	-80	-7.2	-176.3	-56.2	0	0	0	0	113.6	F737 N775 L779	F737-C744 HydrophobicContact CB-CB 4.29Å; F737-C744 PolarHBondContact O-N 2.89Å; F737-C744 PolarHBondContact O-SG 3.15Å; C744-N775 HydrophobicContact CB-CB 4.03Å; C744-L779 HydrophobicContact CB-CD1 4Å; C744-L779 HydrophobicContact CB-CD2 4.35Å; C744-L779 HydrophobicContact CB-CG 4.13Å
745	Y	97.7	Very high	95.5	Very high	3 Å²	3	61.7 Å²	61.7	1%	0.012	32%	0.32	C	S	.	.	S	Bend	trans	-154.9	165.4	-178.4	55.2	-91.3	0	0	0	109.7	L720 L722 E729 F732 F737 Y738 R743 R747	L720-Y745 WeakPolarHBondContact O-CB 3.16Å; L722-Y745 HydrophobicContact CB-CD2 3.83Å; L722-Y745 HydrophobicContact CB-CE2 4.17Å; L722-Y745 HydrophobicContact CD2-CD2 4.19Å; L722-Y745 HydrophobicContact CD2-CE2 3.99Å; E729-Y745 HydrophobicContact CG-CE2 3.91Å; E729-Y745 PolarHBondContact OE1-OH 3.36Å; F732-Y745 HydrophobicContact CB-CE1 3.77Å; F732-Y745 HydrophobicContact CD2-CD1 4.29Å; F732-Y745 AromaticContact CD2-CE1 3.93Å; F732-Y745 HydrophobicContact CD2-CE1 3.93Å; F732-Y745 HydrophobicContact CG-CE1 4.35Å; F737-Y745 HydrophobicContact CB-CE1 4.3Å; Y738-Y745 WeakPolarHBondContact CB-OH 3.33Å; Y738-Y745 HydrophobicContact CD2-CD2 4.11Å; Y738-Y745 HydrophobicContact CD2-CE1 4.35Å; Y738-Y745 AromaticContact CD2-CE2 3.77Å; Y738-Y745 HydrophobicContact CD2-CE2 3.77Å; Y738-Y745 AromaticContact CD2-CZ 3.91Å; Y738-Y745 HydrophobicContact CE2-CE2 4.43Å; Y738-Y745 WeakPolarHBondContact CE2-O 3.26Å; Y738-Y745 HydrophobicContact CG-CE2 4.21Å; R743-Y745 PolarHBondContact O-N 2.91Å; Y745-R747 HydrophobicContact CD2-CB 4.36Å; Y745-R747 HydrophobicContact CE2-CB 4.07Å; Y745-R747 HydrophobicContact CE2-CG 4.34Å
746	H	98.1	Very high	95.6	Very high	28 Å²	28	62.5 Å²	62.5	13%	0.13	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	119.1	174.2	-62.2	-79.9	0	0	0	109.1	S719 L720 I721 L722 L760 E767	S719-H746 PolarHBondContact OG-CD2 3.29Å; L720-H746 PolarHBondContact O-N 3.39Å; I721-H746 CarbonylContact C-O 3.55Å; I721-H746 WeakPolarHBondContact CA-O 3.46Å; I721-H746 HydrophobicContact CG1-CB 4.08Å; L722-H746 PolarHBondContact N-O 2.84Å; H746-L760 HydrophobicContact CB-CD2 4.19Å; H746-E767 IonicContact CD2-OE2 3.51Å; H746-E767 IonicContact CE1-OE2 3.12Å; H746-E767 VanDerWaalsContact NE2-CD 3.33Å; H746-E767 IonicContact NE2-OE1 3.33Å; H746-E767 IonicContact NE2-OE2 2.89Å; H746-E767 PolarHBondContact NE2-OE2 3.16Å
747	R	97.8	Very high	95.8	Very high	51 Å²	51	61.1 Å²	61.1	19%	0.192	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	125.6	-175.2	-172.8	179.4	-167.9	-146.7	8.7	111.3	L722 E729 Y738 Y745 E749 L760	L722-R747 CarbonylContact O-C 3.58Å; L722-R747 VanDerWaalsContact O-CA 3.32Å; L722-R747 WeakPolarHBondContact O-CA 3.45Å; E729-R747 HydrophobicContact CG-CG 4.48Å; E729-R747 WeakPolarHBondContact OE1-CD 3.42Å; E729-R747 IonicContact OE1-CZ 3.58Å; E729-R747 IonicContact OE1-NE 3.74Å; E729-R747 PolarHBondContact OE1-NE 3.47Å; E729-R747 IonicContact OE1-NH2 3.38Å; E729-R747 PolarHBondContact OE1-NH2 2.82Å; E729-R747 IonicContact OE2-CZ 3.09Å; E729-R747 IonicContact OE2-NE 2.68Å; E729-R747 PolarHBondContact OE2-NE 3.14Å; E729-R747 IonicContact OE2-NH2 3.42Å; E729-R747 PolarHBondContact OE2-NH2 3.29Å; Y738-R747 HydrophobicContact CD2-CB 4.09Å; Y738-R747 HydrophobicContact CE1-CB 3.93Å; Y738-R747 HydrophobicContact CE1-CG 4.29Å; Y738-R747 HydrophobicContact CE2-CB 3.45Å; Y738-R747 VanDerWaalsContact CE2-CB 3.45Å; Y738-R747 WeakPolarHBondContact OH-CB 3.48Å; Y745-R747 HydrophobicContact CD2-CB 4.36Å; Y745-R747 HydrophobicContact CE2-CB 4.07Å; Y745-R747 HydrophobicContact CE2-CG 4.34Å; R747-E749 VanDerWaalsContact CD-OE1 3.28Å; R747-E749 WeakPolarHBondContact CD-OE1 3.29Å; R747-E749 IonicContact CZ-OE1 2.9Å; R747-E749 IonicContact CZ-OE2 2.76Å; R747-E749 IonicContact NE-OE1 2.67Å; R747-E749 IonicContact NE-OE2 3.8Å; R747-E749 VanDerWaalsContact NH1-CD 3.27Å; R747-E749 IonicContact NH1-OE1 3.09Å; R747-E749 PolarHBondContact NH1-OE1 3.5Å; R747-E749 IonicContact NH1-OE2 2.72Å; R747-E749 PolarHBondContact NH1-OE2 2.93Å; R747-E749 VanDerWaalsContact NH1-OE2 3.09Å; R747-L760 WeakPolarHBondContact O-CD1 3.33Å
748	V	97.8	Very high	95.8	Very high	1 Å²	1	60.1 Å²	60.1	1%	0.006	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	104.7	170.8	-173.1	0	0	0	0	108.1	T698 I721 L722 S724 F757 L760	T698-V748 HydrophobicContact CG2-CG2 4.05Å; I721-V748 HydrophobicContact CG2-CG2 3.56Å; L722-V748 PolarHBondContact O-N 3.3Å; S724-V748 PolarHBondContact N-O 3.47Å; S724-V748 PolarHBondContact OG-O 3Å; V748-F757 HydrophobicContact CG1-CB 4.35Å; V748-F757 HydrophobicContact CG1-CD1 4.1Å; V748-F757 HydrophobicContact CG1-CD2 4.1Å; V748-F757 HydrophobicContact CG1-CE1 4.46Å; V748-F757 HydrophobicContact CG1-CE2 4.49Å; V748-F757 HydrophobicContact CG1-CG 3.93Å; V748-F757 HydrophobicContact CG2-CD2 3.59Å; V748-F757 HydrophobicContact CG2-CE2 3.59Å; V748-F757 HydrophobicContact CG2-CG 4.29Å; V748-F757 HydrophobicContact CG2-CZ 4.25Å; V748-L760 HydrophobicContact CB-CD1 4.24Å; V748-L760 HydrophobicContact CG2-CD1 3.73Å
749	E	95.5	Very high	96	Very high	84 Å²	84	61.2 Å²	61.2	39%	0.393	31%	0.309	S	S	.	.	S	Bend	trans	-71.6	-48.7	-179.3	-66.5	-67.2	178.1	0	0	111.7	S724 R747	S724-E749 PolarHBondContact OG-O 3.1Å; R747-E749 VanDerWaalsContact CD-OE1 3.28Å; R747-E749 WeakPolarHBondContact CD-OE1 3.29Å; R747-E749 IonicContact CZ-OE1 2.9Å; R747-E749 IonicContact CZ-OE2 2.76Å; R747-E749 IonicContact NE-OE1 2.67Å; R747-E749 IonicContact NE-OE2 3.8Å; R747-E749 VanDerWaalsContact NH1-CD 3.27Å; R747-E749 IonicContact NH1-OE1 3.09Å; R747-E749 PolarHBondContact NH1-OE1 3.5Å; R747-E749 IonicContact NH1-OE2 2.72Å; R747-E749 PolarHBondContact NH1-OE2 2.93Å; R747-E749 VanDerWaalsContact NH1-OE2 3.09Å
750	N	96	Very high	96.2	Very high	77 Å²	77	60 Å²	60	41%	0.412	30%	0.3	S	S	.	.			trans	-125.9	109.6	177.3	178.9	10	0	0	0	110.3	N752 D753	N750-N752 PolarHBondContact O-N 2.77Å; N750-N752 VanDerWaalsContact O-N 3.1Å; N750-N752 WeakPolarHBondContact OD1-CB 3.29Å; N750-N752 PolarHBondContact OD1-N 3.17Å; N750-D753 HydrophobicContact CB-CB 4.24Å; N750-D753 PolarHBondContact O-N 2.95Å
751	I	95.4	Very high	96.6	Very high	12 Å²	12	52.3 Å²	52.3	6%	0.062	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-22.5	-179.1	-157.9	179.3	0	0	0	113.5	E609 T698 I700 F757	E609-I751 HydrophobicContact CB-CD1 3.98Å; E609-I751 HydrophobicContact CB-CG1 3.76Å; E609-I751 HydrophobicContact CG-CD1 4.5Å; E609-I751 HydrophobicContact CG-CG1 4.37Å; E609-I751 HydrophobicContact CG-CG2 4.43Å; T698-I751 WeakPolarHBondContact O-CD1 3.44Å; I700-I751 HydrophobicContact CG1-CD1 4.27Å; I700-I751 HydrophobicContact CG1-CG2 4.4Å; I751-F757 HydrophobicContact CG1-CD1 4.21Å; I751-F757 HydrophobicContact CG1-CE1 3.79Å
752	N	95.2	Very high	97	Very high	108 Å²	108	50.2 Å²	50.2	58%	0.578	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-13.5	178	-62.8	-59.9	0	0	0	112.9	N750 T754	N750-N752 PolarHBondContact O-N 2.77Å; N750-N752 VanDerWaalsContact O-N 3.1Å; N750-N752 WeakPolarHBondContact OD1-CB 3.29Å; N750-N752 PolarHBondContact OD1-N 3.17Å; N752-T754 PolarHBondContact O-N 3.02Å
753	D	97.5	Very high	97.3	Very high	62 Å²	62	46.1 Å²	46.1	33%	0.332	23%	0.225	S	C	.	.			trans	-77.5	90.3	171.8	-165	-34.4	0	0	0	109.4	N750 E755 E756 F757	N750-D753 HydrophobicContact CB-CB 4.24Å; N750-D753 PolarHBondContact O-N 2.95Å; D753-E755 PolarHBondContact O-N 3.39Å; D753-E755 PolarHBondContact OD1-N 3.38Å; D753-E755 VanDerWaalsContact OD1-N 3.11Å; D753-E756 HydrophobicContact CB-CB 4.16Å; D753-E756 PolarHBondContact OD1-N 2.96Å; D753-E756 VanDerWaalsContact OD1-N 3.08Å; D753-F757 WeakPolarHBondContact O-CB 3.49Å; D753-F757 PolarHBondContact O-N 2.8Å
754	T	97.8	Very high	97.4	Very high	45 Å²	45	39.4 Å²	39.4	28%	0.276	20%	0.2	S	C	.	.	H	α-helix	trans	-63.7	-29.7	-177.1	-59.3	0	0	0	0	112.4	V612 R616 N752 A758	V612-T754 HydrophobicContact CG1-CG2 3.73Å; R616-T754 HydrophobicContact CB-CG2 3.73Å; R616-T754 HydrophobicContact CG-CG2 4.02Å; N752-T754 PolarHBondContact O-N 3.02Å; T754-A758 WeakPolarHBondContact O-CB 3.43Å; T754-A758 PolarHBondContact O-N 3.26Å
755	E	98	Very high	97.4	Very high	73 Å²	73	39.1 Å²	39.1	34%	0.341	20%	0.199	S	C	.	.	H	α-helix	trans	-74.6	-51.1	-178.6	-72.2	-64.7	156.4	0	0	110.9	R616 K620 D753 F757 A758 D759	R616-E755 IonicContact CZ-OE1 2.77Å; R616-E755 IonicContact NE-OE1 2.67Å; R616-E755 PolarHBondContact NE-OE1 3.14Å; R616-E755 IonicContact NE-OE2 3.14Å; R616-E755 IonicContact NH2-OE1 2.66Å; R616-E755 PolarHBondContact NH2-OE1 3.35Å; R616-E755 IonicContact NH2-OE2 2.71Å; K620-E755 IonicContact NZ-OE2 3.54Å; K620-E755 PolarHBondContact NZ-OE2 2.83Å; D753-E755 PolarHBondContact O-N 3.39Å; D753-E755 PolarHBondContact OD1-N 3.38Å; D753-E755 VanDerWaalsContact OD1-N 3.11Å; E755-F757 VanDerWaalsContact C-N 3.32Å; E755-F757 PolarHBondContact O-N 3.02Å; E755-A758 PolarHBondContact O-N 3.02Å; E755-D759 VanDerWaalsContact O-CG 3.32Å; E755-D759 PolarHBondContact O-N 3.46Å
756	E	97.1	Very high	97.3	Very high	72 Å²	72	43.6 Å²	43.6	34%	0.336	22%	0.222	S	C	.	.	H	α-helix	trans	-60	-45.3	176.8	-175.4	-176.3	-178.2	0	0	110.6	D753 A758 D759 L760	D753-E756 HydrophobicContact CB-CB 4.16Å; D753-E756 PolarHBondContact OD1-N 2.96Å; D753-E756 VanDerWaalsContact OD1-N 3.08Å; E756-A758 VanDerWaalsContact C-N 3.34Å; E756-A758 PolarHBondContact O-N 2.88Å; E756-D759 PolarHBondContact O-N 2.78Å; E756-D759 VanDerWaalsContact O-N 3.12Å; E756-L760 WeakPolarHBondContact O-CG 3.47Å; E756-L760 PolarHBondContact O-N 2.73Å
757	F	98.2	Very high	97.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64.8	-38	-179.1	-165.3	-178.5	0	0	0	111.9	K610 A613 T698 I721 V748 I751 D753 E755 D759 L760 F761	K610-F757 HydrophobicContact CB-CE1 4.3Å; K610-F757 HydrophobicContact CB-CZ 4.16Å; K610-F757 HydrophobicContact CG-CZ 4.16Å; A613-F757 HydrophobicContact CB-CB 3.75Å; A613-F757 HydrophobicContact CB-CD1 3.44Å; A613-F757 VanDerWaalsContact CB-CD1 3.44Å; A613-F757 HydrophobicContact CB-CD2 4.13Å; A613-F757 HydrophobicContact CB-CE1 3.99Å; A613-F757 HydrophobicContact CB-CG 3.49Å; A613-F757 VanDerWaalsContact CB-CG 3.49Å; T698-F757 HydrophobicContact CG2-CE2 3.89Å; T698-F757 HydrophobicContact CG2-CZ 3.54Å; I721-F757 HydrophobicContact CG2-CE2 4.03Å; V748-F757 HydrophobicContact CG1-CB 4.35Å; V748-F757 HydrophobicContact CG1-CD1 4.1Å; V748-F757 HydrophobicContact CG1-CD2 4.1Å; V748-F757 HydrophobicContact CG1-CE1 4.46Å; V748-F757 HydrophobicContact CG1-CE2 4.49Å; V748-F757 HydrophobicContact CG1-CG 3.93Å; V748-F757 HydrophobicContact CG2-CD2 3.59Å; V748-F757 HydrophobicContact CG2-CE2 3.59Å; V748-F757 HydrophobicContact CG2-CG 4.29Å; V748-F757 HydrophobicContact CG2-CZ 4.25Å; I751-F757 HydrophobicContact CG1-CD1 4.21Å; I751-F757 HydrophobicContact CG1-CE1 3.79Å; D753-F757 WeakPolarHBondContact O-CB 3.49Å; D753-F757 PolarHBondContact O-N 2.8Å; E755-F757 VanDerWaalsContact C-N 3.32Å; E755-F757 PolarHBondContact O-N 3.02Å; F757-D759 VanDerWaalsContact C-N 3.35Å; F757-L760 PolarHBondContact O-N 2.82Å; F757-F761 HydrophobicContact CD2-CD2 4.21Å; F757-F761 AromaticContact CD2-CE2 3.91Å; F757-F761 HydrophobicContact CD2-CE2 3.91Å; F757-F761 HydrophobicContact CE2-CD2 4.25Å; F757-F761 AromaticContact CE2-CE2 3.58Å; F757-F761 HydrophobicContact CE2-CE2 3.58Å; F757-F761 HydrophobicContact CE2-CZ 4.09Å; F757-F761 HydrophobicContact CZ-CE2 4.11Å; F757-F761 HydrophobicContact CZ-CZ 4.47Å; F757-F761 WeakPolarHBondContact O-CD2 3.37Å; F757-F761 PolarHBondContact O-N 3.47Å
758	A	98.3	Very high	96.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-64	-38.4	172.4	0	0	0	0	0	112.8	R616 F617 T754 E755 E756 L760 F761 Y762	R616-A758 HydrophobicContact CB-CB 3.85Å; R616-A758 HydrophobicContact CG-CB 3.71Å; F617-A758 HydrophobicContact CB-CB 4.17Å; T754-A758 WeakPolarHBondContact O-CB 3.43Å; T754-A758 PolarHBondContact O-N 3.26Å; E755-A758 PolarHBondContact O-N 3.02Å; E756-A758 VanDerWaalsContact C-N 3.34Å; E756-A758 PolarHBondContact O-N 2.88Å; A758-L760 VanDerWaalsContact C-N 3.31Å; A758-L760 PolarHBondContact O-N 2.94Å; A758-F761 WeakPolarHBondContact O-CB 3.35Å; A758-F761 PolarHBondContact O-N 2.7Å; A758-Y762 PolarHBondContact O-N 2.72Å
759	D	98.3	Very high	96.7	Very high	72 Å²	72	51.9 Å²	51.9	39%	0.385	26%	0.263	S	S	.	.	H	α-helix	trans	-66.8	-33.6	177.6	-70.4	-18.7	0	0	0	111.8	K620 E755 E756 F757 Y762 A763	K620-D759 WeakPolarHBondContact CE-OD1 3.43Å; K620-D759 VanDerWaalsContact NZ-CG 3.31Å; K620-D759 IonicContact NZ-OD1 3.57Å; K620-D759 PolarHBondContact NZ-OD1 3.42Å; K620-D759 IonicContact NZ-OD2 3.51Å; K620-D759 PolarHBondContact NZ-OD2 2.79Å; E755-D759 VanDerWaalsContact O-CG 3.32Å; E755-D759 PolarHBondContact O-N 3.46Å; E756-D759 PolarHBondContact O-N 2.78Å; E756-D759 VanDerWaalsContact O-N 3.12Å; F757-D759 VanDerWaalsContact C-N 3.35Å; D759-Y762 PolarHBondContact O-N 3.07Å; D759-A763 WeakPolarHBondContact O-CB 3.44Å; D759-A763 PolarHBondContact O-N 2.68Å
760	L	98.1	Very high	96.6	Very high	26 Å²	26	55.4 Å²	55.4	14%	0.136	28%	0.28	C	S	.	.	H	α-helix	trans	-66.7	-36.3	173.8	-66.2	171.1	0	0	0	112.8	H746 R747 V748 E756 F757 A758 Y762 A763 A764	H746-L760 HydrophobicContact CB-CD2 4.19Å; R747-L760 WeakPolarHBondContact O-CD1 3.33Å; V748-L760 HydrophobicContact CB-CD1 4.24Å; V748-L760 HydrophobicContact CG2-CD1 3.73Å; E756-L760 WeakPolarHBondContact O-CG 3.47Å; E756-L760 PolarHBondContact O-N 2.73Å; F757-L760 PolarHBondContact O-N 2.82Å; A758-L760 VanDerWaalsContact C-N 3.31Å; A758-L760 PolarHBondContact O-N 2.94Å; L760-Y762 VanDerWaalsContact C-N 3.32Å; L760-Y762 PolarHBondContact O-N 3.47Å; L760-A763 PolarHBondContact O-N 2.8Å; L760-A764 WeakPolarHBondContact O-CB 3.44Å; L760-A764 PolarHBondContact O-N 2.73Å
761	F	98.5	Very high	96.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-59.2	-44.7	171.1	-84.2	-72.9	0	0	0	111.3	F595 K610 A613 F614 F617 V696 I721 F757 A758 A765	F595-F761 AromaticContact CD1-CD1 3.76Å; F595-F761 HydrophobicContact CD1-CD1 3.76Å; F595-F761 AromaticContact CD1-CE1 3.97Å; F595-F761 HydrophobicContact CD1-CE1 3.97Å; F595-F761 AromaticContact CE1-CD1 3.65Å; F595-F761 HydrophobicContact CE1-CD1 3.65Å; F595-F761 HydrophobicContact CE1-CE1 4.33Å; F595-F761 HydrophobicContact CG-CD1 4.4Å; F595-F761 HydrophobicContact CG-CE1 4.46Å; F595-F761 HydrophobicContact CZ-CD1 4.19Å; K610-F761 HydrophobicContact CG-CZ 4.02Å; A613-F761 HydrophobicContact CB-CD2 4.38Å; A613-F761 HydrophobicContact CB-CE2 4Å; F614-F761 HydrophobicContact CB-CE2 4.28Å; F614-F761 HydrophobicContact CB-CZ 4.3Å; F614-F761 AromaticContact CD2-CD1 3.76Å; F614-F761 HydrophobicContact CD2-CD1 3.76Å; F614-F761 HydrophobicContact CD2-CD2 4.45Å; F614-F761 AromaticContact CD2-CE1 3.68Å; F614-F761 HydrophobicContact CD2-CE1 3.68Å; F614-F761 HydrophobicContact CD2-CE2 4.38Å; F614-F761 HydrophobicContact CD2-CG 4.16Å; F614-F761 HydrophobicContact CD2-CZ 4.01Å; F614-F761 HydrophobicContact CE2-CD1 4.18Å; F614-F761 HydrophobicContact CE2-CE1 4.29Å; F617-F761 HydrophobicContact CB-CB 3.98Å; F617-F761 HydrophobicContact CD1-CB 4.23Å; F617-F761 HydrophobicContact CD2-CB 3.82Å; F617-F761 HydrophobicContact CE2-CB 4.37Å; F617-F761 HydrophobicContact CG-CB 3.74Å; V696-F761 HydrophobicContact CG1-CE1 4.23Å; V696-F761 HydrophobicContact CG1-CZ 4.08Å; V696-F761 HydrophobicContact CG2-CE1 3.99Å; I721-F761 HydrophobicContact CD1-CD1 3.71Å; I721-F761 HydrophobicContact CD1-CE1 4.01Å; I721-F761 HydrophobicContact CD1-CG 4.14Å; F757-F761 HydrophobicContact CD2-CD2 4.21Å; F757-F761 AromaticContact CD2-CE2 3.91Å; F757-F761 HydrophobicContact CD2-CE2 3.91Å; F757-F761 HydrophobicContact CE2-CD2 4.25Å; F757-F761 AromaticContact CE2-CE2 3.58Å; F757-F761 HydrophobicContact CE2-CE2 3.58Å; F757-F761 HydrophobicContact CE2-CZ 4.09Å; F757-F761 HydrophobicContact CZ-CE2 4.11Å; F757-F761 HydrophobicContact CZ-CZ 4.47Å; F757-F761 WeakPolarHBondContact O-CD2 3.37Å; F757-F761 PolarHBondContact O-N 3.47Å; A758-F761 WeakPolarHBondContact O-CB 3.35Å; A758-F761 PolarHBondContact O-N 2.7Å; F761-A765 WeakPolarHBondContact O-CB 3.46Å; F761-A765 PolarHBondContact O-N 3.33Å
762	Y	98.2	Very high	96.6	Very high	71 Å²	71	54.5 Å²	54.5	28%	0.278	28%	0.277	S	S	.	.	H	α-helix	trans	-66.8	-44.1	177.2	-177.4	-107	0	0	0	112.1	F617 H621 E623 A758 D759 L760 A764 A765 I766	F617-Y762 HydrophobicContact CE2-CD2 4.07Å; F617-Y762 HydrophobicContact CE2-CG 4.49Å; H621-Y762 HydrophobicContact CB-CD2 4.14Å; H621-Y762 HydrophobicContact CB-CE2 4.44Å; H621-Y762 AromaticContact CD2-CD2 3.68Å; H621-Y762 AromaticContact CD2-CG 3.79Å; H621-Y762 AromaticContact CE1-CD1 3.6Å; H621-Y762 AromaticContact CE1-CD2 3.43Å; H621-Y762 VanDerWaalsContact CE1-CD2 3.43Å; H621-Y762 WeakPolarHBondContact CE1-CD2 3.37Å; H621-Y762 AromaticContact CE1-CE1 3.78Å; H621-Y762 AromaticContact CE1-CE2 3.63Å; H621-Y762 AromaticContact CE1-CG 3.42Å; H621-Y762 VanDerWaalsContact CE1-CG 3.42Å; H621-Y762 AromaticContact CE1-CZ 3.8Å; H621-Y762 AromaticContact CG-CD2 3.42Å; H621-Y762 VanDerWaalsContact CG-CD2 3.42Å; H621-Y762 AromaticContact CG-CE2 3.83Å; H621-Y762 AromaticContact CG-CG 3.99Å; H621-Y762 AromaticContact ND1-CD2 3.27Å; H621-Y762 VanDerWaalsContact ND1-CD2 3.27Å; H621-Y762 WeakPolarHBondContact ND1-CD2 3.27Å; H621-Y762 AromaticContact ND1-CE2 3.27Å; H621-Y762 VanDerWaalsContact ND1-CE2 3.27Å; H621-Y762 WeakPolarHBondContact ND1-CE2 3.08Å; H621-Y762 AromaticContact ND1-CG 3.78Å; H621-Y762 AromaticContact ND1-CZ 3.78Å; H621-Y762 AromaticContact NE2-CD1 3.88Å; H621-Y762 AromaticContact NE2-CD2 3.7Å; H621-Y762 AromaticContact NE2-CG 3.43Å; E623-Y762 WeakPolarHBondContact OE1-CE2 3.15Å; A758-Y762 PolarHBondContact O-N 2.72Å; D759-Y762 PolarHBondContact O-N 3.07Å; L760-Y762 VanDerWaalsContact C-N 3.32Å; L760-Y762 PolarHBondContact O-N 3.47Å; Y762-A764 PolarHBondContact O-N 2.84Å; Y762-A765 WeakPolarHBondContact O-CA 3.22Å; Y762-A765 WeakPolarHBondContact O-CB 3.42Å; Y762-A765 PolarHBondContact O-N 3.42Å; Y762-I766 HydrophobicContact CD1-CD1 4.19Å; Y762-I766 HydrophobicContact CD2-CG2 4.31Å; Y762-I766 HydrophobicContact CE1-CD1 3.7Å; Y762-I766 HydrophobicContact CE1-CG1 4.49Å; Y762-I766 HydrophobicContact CE1-CG2 4.23Å; Y762-I766 HydrophobicContact CE2-CG2 3.84Å; Y762-I766 WeakPolarHBondContact O-CG1 3.33Å; Y762-I766 PolarHBondContact O-N 2.74Å; Y762-I766 VanDerWaalsContact O-N 3.08Å
763	A	97.6	Very high	96.7	Very high	33 Å²	33	53.2 Å²	53.2	27%	0.273	27%	0.268	S	S	.	.	H	α-helix	trans	-57.3	-47.4	177.2	0	0	0	0	0	111.8	D759 L760 A765 I766 E767	D759-A763 WeakPolarHBondContact O-CB 3.44Å; D759-A763 PolarHBondContact O-N 2.68Å; L760-A763 PolarHBondContact O-N 2.8Å; A763-A765 VanDerWaalsContact C-N 3.28Å; A763-A765 PolarHBondContact O-N 3.14Å; A763-I766 WeakPolarHBondContact O-CG1 3.39Å; A763-I766 PolarHBondContact O-N 2.73Å; A763-E767 PolarHBondContact O-N 3.31Å
764	A	97.4	Very high	96.6	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.008	27%	0.273	C	S	.	.	H	α-helix	trans	-64.4	-31.7	174.5	0	0	0	0	0	112.5	F595 V694 I721 L760 Y762 I766	F595-A764 HydrophobicContact CE1-CB 4.41Å; V694-A764 HydrophobicContact CG1-CB 3.9Å; V694-A764 HydrophobicContact CG2-CB 4.12Å; I721-A764 HydrophobicContact CD1-CB 3.91Å; I721-A764 HydrophobicContact CG1-CB 3.95Å; L760-A764 WeakPolarHBondContact O-CB 3.44Å; L760-A764 PolarHBondContact O-N 2.73Å; Y762-A764 PolarHBondContact O-N 2.84Å; A764-I766 VanDerWaalsContact C-N 3.34Å; A764-I766 PolarHBondContact O-N 2.69Å
765	A	96.5	Very high	96.5	Very high	3 Å²	3	51.9 Å²	51.9	3%	0.025	27%	0.266	C	S	.	.	H	α-helix	trans	-70.1	-29	178.6	0	0	0	0	0	113.7	K593 F595 F761 Y762 A763	K593-A765 WeakPolarHBondContact CE-O 3.44Å; K593-A765 HydrophobicContact CG-CB 4.24Å; F595-A765 HydrophobicContact CZ-CB 4.01Å; F761-A765 WeakPolarHBondContact O-CB 3.46Å; F761-A765 PolarHBondContact O-N 3.33Å; Y762-A765 WeakPolarHBondContact O-CA 3.22Å; Y762-A765 WeakPolarHBondContact O-CB 3.42Å; Y762-A765 PolarHBondContact O-N 3.42Å; A763-A765 VanDerWaalsContact C-N 3.28Å; A763-A765 PolarHBondContact O-N 3.14Å
766	I	95.6	Very high	96.4	Very high	96 Å²	96	48.5 Å²	48.5	49%	0.492	25%	0.251	S	S	.	.	H	α-helix	trans	-104.4	-3.6	-177.8	68.8	169.4	0	0	0	113.6	Y762 A763 A764 D768	Y762-I766 HydrophobicContact CD1-CD1 4.19Å; Y762-I766 HydrophobicContact CD2-CG2 4.31Å; Y762-I766 HydrophobicContact CE1-CD1 3.7Å; Y762-I766 HydrophobicContact CE1-CG1 4.49Å; Y762-I766 HydrophobicContact CE1-CG2 4.23Å; Y762-I766 HydrophobicContact CE2-CG2 3.84Å; Y762-I766 WeakPolarHBondContact O-CG1 3.33Å; Y762-I766 PolarHBondContact O-N 2.74Å; Y762-I766 VanDerWaalsContact O-N 3.08Å; A763-I766 WeakPolarHBondContact O-CG1 3.39Å; A763-I766 PolarHBondContact O-N 2.73Å; A764-I766 VanDerWaalsContact C-N 3.34Å; A764-I766 PolarHBondContact O-N 2.69Å; I766-D768 PolarHBondContact O-N 2.87Å
767	E	94.9	Very high	96.4	Very high	32 Å²	32	51.2 Å²	51.2	15%	0.15	26%	0.262	C	S	.	.			trans	-57.1	134.2	178.2	-163.1	173.7	-154.8	0	0	110.8	S719 H746 A763 V772	S719-E767 WeakPolarHBondContact CB-OE2 3.33Å; S719-E767 PolarHBondContact OG-OE2 3Å; H746-E767 IonicContact CD2-OE2 3.51Å; H746-E767 IonicContact CE1-OE2 3.12Å; H746-E767 VanDerWaalsContact NE2-CD 3.33Å; H746-E767 IonicContact NE2-OE1 3.33Å; H746-E767 IonicContact NE2-OE2 2.89Å; H746-E767 PolarHBondContact NE2-OE2 3.16Å; A763-E767 PolarHBondContact O-N 3.31Å; E767-V772 HydrophobicContact CB-CG2 4.14Å; E767-V772 HydrophobicContact CG-CG2 3.69Å; E767-V772 WeakPolarHBondContact OE2-CG2 3.3Å
768	D	93.7	Very high	96.3	Very high	80 Å²	80	53.9 Å²	53.9	43%	0.428	28%	0.276	S	S	.	.			trans	-74	145.3	-178.6	69.1	102.2	0	0	0	110.8	I766 E770 T771 V772	I766-D768 PolarHBondContact O-N 2.87Å; D768-E770 VanDerWaalsContact C-N 3.25Å; D768-E770 PolarHBondContact O-N 2.75Å; D768-E770 PolarHBondContact OD1-N 3.28Å; D768-T771 PolarHBondContact O-N 3.45Å; D768-T771 WeakPolarHBondContact OD1-CB 3.33Å; D768-T771 PolarHBondContact OD1-N 2.86Å; D768-T771 PolarHBondContact OD1-OG1 3.28Å; D768-T771 WeakPolarHBondContact OD2-CB 3.22Å; D768-T771 PolarHBondContact OD2-OG1 2.73Å; D768-V772 WeakPolarHBondContact O-CG2 3.16Å; D768-V772 PolarHBondContact O-N 3.37Å; D768-V772 VanDerWaalsContact O-N 3.17Å
769	K	92.6	Very high	96.2	Very high	143 Å²	143	54 Å²	54	62%	0.622	28%	0.276	S	S	*	.	H	α-helix	trans	-63.7	-32.6	-173.2	-167.9	179.7	-174.9	-129.7	0	112.7	V772 E773	K769-V772 PolarHBondContact O-N 3.29Å; K769-E773 WeakPolarHBondContact CE-OE1 3.47Å; K769-E773 HydrophobicContact CG-CG 4.36Å; K769-E773 IonicContact NZ-OE1 2.79Å; K769-E773 PolarHBondContact NZ-OE1 2.73Å; K769-E773 WeakPolarHBondContact O-CB 3.28Å; K769-E773 WeakPolarHBondContact O-CG 3.46Å; K769-E773 PolarHBondContact O-N 2.87Å
770	E	94.8	Very high	96.1	Very high	158 Å²	158	52.3 Å²	52.3	74%	0.738	27%	0.266	S	S	*	.	H	α-helix	trans	-66.9	-46.1	-179.2	-174.4	175.6	-178.9	0	0	111	D768 V772 E773 A774	D768-E770 VanDerWaalsContact C-N 3.25Å; D768-E770 PolarHBondContact O-N 2.75Å; D768-E770 PolarHBondContact OD1-N 3.28Å; E770-V772 PolarHBondContact O-N 2.79Å; E770-E773 PolarHBondContact O-N 2.82Å; E770-A774 WeakPolarHBondContact O-CB 3.39Å; E770-A774 PolarHBondContact O-N 3.44Å
771	T	95.1	Very high	96	Very high	56 Å²	56	56 Å²	56	34%	0.344	28%	0.282	S	S	.	.	H	α-helix	trans	-59.8	-44.5	173.4	-62.1	0	0	0	0	111.9	D768 A774 N775	D768-T771 PolarHBondContact O-N 3.45Å; D768-T771 WeakPolarHBondContact OD1-CB 3.33Å; D768-T771 PolarHBondContact OD1-N 2.86Å; D768-T771 PolarHBondContact OD1-OG1 3.28Å; D768-T771 WeakPolarHBondContact OD2-CB 3.22Å; D768-T771 PolarHBondContact OD2-OG1 2.73Å; T771-A774 PolarHBondContact O-N 3.09Å; T771-N775 WeakPolarHBondContact O-CB 3.4Å; T771-N775 VanDerWaalsContact O-CG 3.29Å; T771-N775 PolarHBondContact O-N 2.75Å; T771-N775 PolarHBondContact O-ND2 3.15Å
772	V	96.2	Very high	95.9	Very high	13 Å²	13	57.6 Å²	57.6	8%	0.079	29%	0.29	C	S	.	.	H	α-helix	trans	-61.2	-48.8	178.2	177.1	0	0	0	0	111.4	S717 E767 D768 K769 E770 A774 N775 G776	S717-V772 WeakPolarHBondContact O-CG1 3.24Å; E767-V772 HydrophobicContact CB-CG2 4.14Å; E767-V772 HydrophobicContact CG-CG2 3.69Å; E767-V772 WeakPolarHBondContact OE2-CG2 3.3Å; D768-V772 WeakPolarHBondContact O-CG2 3.16Å; D768-V772 PolarHBondContact O-N 3.37Å; D768-V772 VanDerWaalsContact O-N 3.17Å; K769-V772 PolarHBondContact O-N 3.29Å; E770-V772 PolarHBondContact O-N 2.79Å; V772-A774 VanDerWaalsContact C-N 3.34Å; V772-A774 PolarHBondContact O-N 3.01Å; V772-N775 PolarHBondContact O-N 3.26Å; V772-G776 PolarHBondContact O-N 3Å
773	E	95.7	Very high	95.8	Very high	82 Å²	82	54.2 Å²	54.2	38%	0.383	28%	0.276	S	S	.	.	H	α-helix	trans	-63.6	-39.6	179.4	-73.9	176.7	-177.6	0	0	111.8	K769 E770 K777	K769-E773 WeakPolarHBondContact CE-OE1 3.47Å; K769-E773 HydrophobicContact CG-CG 4.36Å; K769-E773 IonicContact NZ-OE1 2.79Å; K769-E773 PolarHBondContact NZ-OE1 2.73Å; K769-E773 WeakPolarHBondContact O-CB 3.28Å; K769-E773 WeakPolarHBondContact O-CG 3.46Å; K769-E773 PolarHBondContact O-N 2.87Å; E770-E773 PolarHBondContact O-N 2.82Å; E773-K777 VanDerWaalsContact O-CB 3.31Å; E773-K777 WeakPolarHBondContact O-CB 3.24Å; E773-K777 PolarHBondContact O-N 2.77Å
774	A	95.9	Very high	95.7	Very high	54 Å²	54	56.4 Å²	56.4	45%	0.446	28%	0.283	S	S	.	.	H	α-helix	trans	-64.6	-46.8	176.8	0	0	0	0	0	112.1	E770 T771 V772	E770-A774 WeakPolarHBondContact O-CB 3.39Å; E770-A774 PolarHBondContact O-N 3.44Å; T771-A774 PolarHBondContact O-N 3.09Å; V772-A774 VanDerWaalsContact C-N 3.34Å; V772-A774 PolarHBondContact O-N 3.01Å
775	N	96.6	Very high	95.5	Very high	24 Å²	24	59.2 Å²	59.2	13%	0.128	31%	0.306	C	S	.	.	H	α-helix	trans	-66.6	-46.1	178.5	-75.6	-21.9	0	0	0	112.1	R743 C744 T771 V772 K777 L778 L779	R743-N775 PolarHBondContact O-ND2 3.11Å; C744-N775 HydrophobicContact CB-CB 4.03Å; T771-N775 WeakPolarHBondContact O-CB 3.4Å; T771-N775 VanDerWaalsContact O-CG 3.29Å; T771-N775 PolarHBondContact O-N 2.75Å; T771-N775 PolarHBondContact O-ND2 3.15Å; V772-N775 PolarHBondContact O-N 3.26Å; N775-K777 VanDerWaalsContact C-N 3.33Å; N775-K777 PolarHBondContact O-N 3.45Å; N775-L778 PolarHBondContact O-N 3.21Å; N775-L779 PolarHBondContact O-N 2.8Å
776	G	96	Very high	95.4	Very high	2 Å²	2	60.4 Å²	60.4	2%	0.021	31%	0.312	C	S	.	.	H	α-helix	trans	-66.5	-32.9	-179.1	0	0	0	0	0	112.8	P716 V772 L778 L779 H780	P716-G776 VanDerWaalsContact O-CA 3.28Å; P716-G776 WeakPolarHBondContact O-CA 3.35Å; V772-G776 PolarHBondContact O-N 3Å; G776-L778 PolarHBondContact O-N 2.83Å; G776-L779 PolarHBondContact O-N 3.07Å; G776-H780 WeakPolarHBondContact O-CB 3.47Å; G776-H780 PolarHBondContact O-N 3.49Å
777	K	95.5	Very high	95.1	Very high	130 Å²	130	57.6 Å²	57.6	57%	0.565	30%	0.298	S	S	*	.	H	α-helix	trans	-59.3	-44.4	171.6	-176.6	179.3	175.1	-175	0	112.4	E773 N775 H780 E781	E773-K777 VanDerWaalsContact O-CB 3.31Å; E773-K777 WeakPolarHBondContact O-CB 3.24Å; E773-K777 PolarHBondContact O-N 2.77Å; N775-K777 VanDerWaalsContact C-N 3.33Å; N775-K777 PolarHBondContact O-N 3.45Å; K777-H780 PolarHBondContact O-N 2.98Å; K777-E781 WeakPolarHBondContact CE-OE1 3.46Å; K777-E781 WeakPolarHBondContact O-CG 3.42Å; K777-E781 PolarHBondContact O-N 3.43Å
778	L	96.4	Very high	94.9	Very high	56 Å²	56	56.3 Å²	56.3	29%	0.293	29%	0.292	S	S	.	.	H	α-helix	trans	-63.3	-44.7	178.6	-66.3	173.6	0	0	0	111.8	F737 N775 G776 H780 F782	F737-L778 HydrophobicContact CE1-CB 4.14Å; N775-L778 PolarHBondContact O-N 3.21Å; G776-L778 PolarHBondContact O-N 2.83Å; L778-H780 VanDerWaalsContact C-N 3.33Å; L778-F782 PolarHBondContact O-N 3.45Å; L778-F782 VanDerWaalsContact O-N 3.11Å
779	L	97	Very high	94.7	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.01	29%	0.289	C	S	.	.	H	α-helix	trans	-65.1	-39.1	176.7	-67	172.1	0	0	0	111.4	L712 F732 F737 C744 N775 G776 F782 L783	L712-L779 HydrophobicContact CD1-CB 4.12Å; L712-L779 HydrophobicContact CD1-CD1 3.85Å; L712-L779 HydrophobicContact CD2-CD1 4.37Å; F732-L779 HydrophobicContact CD1-CD2 4.26Å; F732-L779 HydrophobicContact CD2-CD2 3.9Å; F732-L779 HydrophobicContact CE1-CD2 4.23Å; F732-L779 HydrophobicContact CE2-CD2 3.87Å; F732-L779 HydrophobicContact CG-CD2 4.1Å; F732-L779 HydrophobicContact CZ-CD2 4.04Å; F737-L779 HydrophobicContact CB-CD2 3.93Å; F737-L779 HydrophobicContact CD1-CD2 3.81Å; F737-L779 HydrophobicContact CD2-CD2 4.03Å; F737-L779 HydrophobicContact CE1-CD2 4.37Å; F737-L779 HydrophobicContact CG-CD2 3.64Å; C744-L779 HydrophobicContact CB-CD1 4Å; C744-L779 HydrophobicContact CB-CD2 4.35Å; C744-L779 HydrophobicContact CB-CG 4.13Å; N775-L779 PolarHBondContact O-N 2.8Å; G776-L779 PolarHBondContact O-N 3.07Å; L779-F782 WeakPolarHBondContact O-CB 3.39Å; L779-F782 PolarHBondContact O-N 3.11Å; L779-L783 VanDerWaalsContact O-CG 3.27Å; L779-L783 WeakPolarHBondContact O-CG 3.35Å; L779-L783 PolarHBondContact O-N 3.48Å
780	H	95.9	Very high	94.6	Very high	37 Å²	37	54 Å²	54	17%	0.171	28%	0.279	C	S	.	.	H	α-helix	trans	-62.6	-48.2	177.3	-170.7	81.7	0	0	0	111.9	L712 I713 P716 G776 K777 L778 F782 L783 L784	L712-H780 PolarHBondContact O-ND1 3.15Å; I713-H780 PolarHBondContact O-CE1 3.46Å; I713-H780 VanDerWaalsContact O-CE1 3.3Å; P716-H780 HydrophobicContact CB-CB 3.88Å; G776-H780 WeakPolarHBondContact O-CB 3.47Å; G776-H780 PolarHBondContact O-N 3.49Å; K777-H780 PolarHBondContact O-N 2.98Å; L778-H780 VanDerWaalsContact C-N 3.33Å; H780-F782 VanDerWaalsContact C-N 3.29Å; H780-F782 PolarHBondContact O-N 3.46Å; H780-L783 PolarHBondContact O-N 3.36Å; H780-L784 WeakPolarHBondContact O-CG 3.5Å; H780-L784 PolarHBondContact O-N 2.76Å
781	E	96.2	Very high	94.6	Very high	102 Å²	102	46.8 Å²	46.8	48%	0.477	25%	0.246	S	C	.	.	H	α-helix	trans	-58.3	-41.2	175.3	-73.6	174.1	-174	0	0	111.7	K777 L784 A785	K777-E781 WeakPolarHBondContact CE-OE1 3.46Å; K777-E781 WeakPolarHBondContact O-CG 3.42Å; K777-E781 PolarHBondContact O-N 3.43Å; E781-L784 PolarHBondContact O-N 3.24Å; E781-A785 PolarHBondContact O-N 3.23Å
782	F	96.7	Very high	94.4	Very high	34 Å²	34	44.2 Å²	44.2	15%	0.149	23%	0.23	C	C	.	.	H	α-helix	trans	-62.7	-44.7	174.9	176	-95.1	0	0	0	112.7	Q731 F732 F737 L778 L779 H780 A785 N786	Q731-F782 HydrophobicContact CG-CE1 4.14Å; Q731-F782 HydrophobicContact CG-CZ 3.94Å; F732-F782 HydrophobicContact CD1-CD1 4.23Å; F732-F782 HydrophobicContact CD1-CE1 4.02Å; F732-F782 AromaticContact CE1-CD1 3.86Å; F732-F782 HydrophobicContact CE1-CD1 3.86Å; F732-F782 AromaticContact CE1-CE1 3.89Å; F732-F782 HydrophobicContact CE1-CE1 3.89Å; F737-F782 HydrophobicContact CE2-CB 3.92Å; F737-F782 HydrophobicContact CE2-CD1 4.1Å; F737-F782 AromaticContact CE2-CD2 3.55Å; F737-F782 HydrophobicContact CE2-CD2 3.55Å; F737-F782 HydrophobicContact CE2-CE2 4.03Å; F737-F782 AromaticContact CE2-CG 3.57Å; F737-F782 HydrophobicContact CE2-CG 3.57Å; F737-F782 HydrophobicContact CE2-CZ 4.5Å; F737-F782 HydrophobicContact CZ-CB 3.59Å; F737-F782 AromaticContact CZ-CD2 3.81Å; F737-F782 HydrophobicContact CZ-CD2 3.81Å; F737-F782 AromaticContact CZ-CG 3.77Å; F737-F782 HydrophobicContact CZ-CG 3.77Å; L778-F782 PolarHBondContact O-N 3.45Å; L778-F782 VanDerWaalsContact O-N 3.11Å; L779-F782 WeakPolarHBondContact O-CB 3.39Å; L779-F782 PolarHBondContact O-N 3.11Å; H780-F782 VanDerWaalsContact C-N 3.29Å; H780-F782 PolarHBondContact O-N 3.46Å; F782-A785 PolarHBondContact O-N 2.98Å; F782-N786 WeakPolarHBondContact CD2-ND2 3.33Å; F782-N786 VanDerWaalsContact CE2-ND2 3.3Å; F782-N786 WeakPolarHBondContact CE2-ND2 3.47Å; F782-N786 WeakPolarHBondContact O-CB 3.47Å; F782-N786 PolarHBondContact O-N 3.17Å; F782-N786 VanDerWaalsContact O-N 3.17Å; F782-N786 PolarHBondContact O-ND2 2.9Å
783	L	96.2	Very high	94.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-68.5	-34.6	-179.5	-68.2	173.2	0	0	0	112.1	N562 K709 L712 I713 F732 L779 H780 A785 N786	N562-L783 PolarHBondContact ND2-O 2.95Å; K709-L783 HydrophobicContact CB-CD1 4.27Å; K709-L783 HydrophobicContact CB-CD2 4.06Å; K709-L783 HydrophobicContact CD-CD2 3.77Å; K709-L783 HydrophobicContact CG-CD2 3.68Å; L712-L783 HydrophobicContact CB-CD1 3.72Å; L712-L783 HydrophobicContact CD1-CD1 4.28Å; I713-L783 HydrophobicContact CD1-CB 3.48Å; I713-L783 VanDerWaalsContact CD1-CB 3.48Å; I713-L783 HydrophobicContact CD1-CD1 4.29Å; I713-L783 HydrophobicContact CG1-CB 3.94Å; I713-L783 HydrophobicContact CG1-CD1 4.02Å; F732-L783 HydrophobicContact CE1-CD2 4.01Å; F732-L783 HydrophobicContact CZ-CD1 4.41Å; F732-L783 HydrophobicContact CZ-CD2 4.12Å; F732-L783 HydrophobicContact CZ-CG 4.43Å; L779-L783 VanDerWaalsContact O-CG 3.27Å; L779-L783 WeakPolarHBondContact O-CG 3.35Å; L779-L783 PolarHBondContact O-N 3.48Å; H780-L783 PolarHBondContact O-N 3.36Å; L783-A785 VanDerWaalsContact C-N 3.28Å; L783-A785 PolarHBondContact O-N 2.84Å; L783-N786 CarbonylContact O-C 3.5Å; L783-N786 PolarHBondContact O-N 3.27Å
784	L	95	Very high	94	Very high	79 Å²	79	43.1 Å²	43.1	41%	0.414	24%	0.235	S	C	.	.	H	α-helix	trans	-61.9	-35.8	172.1	-70.6	178.1	0	0	0	112.2	L566 I713 H780 E781 N786	L566-L784 HydrophobicContact CD1-CD2 4.05Å; I713-L784 HydrophobicContact CD1-CD2 4.18Å; I713-L784 HydrophobicContact CD1-CG 4.44Å; H780-L784 WeakPolarHBondContact O-CG 3.5Å; H780-L784 PolarHBondContact O-N 2.76Å; E781-L784 PolarHBondContact O-N 3.24Å; L784-N786 VanDerWaalsContact C-N 3.34Å
785	A	94.1	Very high	93.9	Very high	60 Å²	60	40.6 Å²	40.6	50%	0.496	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-5.4	177.9	0	0	0	0	0	114.4	E781 F782 L783 K790	E781-A785 PolarHBondContact O-N 3.23Å; F782-A785 PolarHBondContact O-N 2.98Å; L783-A785 VanDerWaalsContact C-N 3.28Å; L783-A785 PolarHBondContact O-N 2.84Å; A785-K790 WeakPolarHBondContact O-CD 3.47Å; A785-K790 PolarHBondContact O-NZ 2.83Å
786	N	93	Very high	93.8	Very high	29 Å²	29	40.7 Å²	40.7	16%	0.155	21%	0.214	C	C	.	.	S	Bend	trans	-134.3	70.6	-176.9	-65.5	-79.3	0	0	0	110.2	S559 F782 L783 L784 K790	S559-N786 WeakPolarHBondContact CB-O 3.28Å; S559-N786 PolarHBondContact OG-O 3.3Å; F782-N786 WeakPolarHBondContact CD2-ND2 3.33Å; F782-N786 VanDerWaalsContact CE2-ND2 3.3Å; F782-N786 WeakPolarHBondContact CE2-ND2 3.47Å; F782-N786 WeakPolarHBondContact O-CB 3.47Å; F782-N786 PolarHBondContact O-N 3.17Å; F782-N786 VanDerWaalsContact O-N 3.17Å; F782-N786 PolarHBondContact O-ND2 2.9Å; L783-N786 CarbonylContact O-C 3.5Å; L783-N786 PolarHBondContact O-N 3.27Å; L784-N786 VanDerWaalsContact C-N 3.34Å; N786-K790 PolarHBondContact OD1-NZ 3.19Å
787	D	90.1	Very high	93.6	Very high	36 Å²	36	42 Å²	42	19%	0.193	22%	0.221	C	C	.	.			trans	-88.3	-173.7	178.2	70.3	11.8	0	0	0	112.9	S559 E789 K790 W791	S559-D787 VanDerWaalsContact CB-C 3.44Å; S559-D787 WeakPolarHBondContact CB-O 3.44Å; D787-E789 PolarHBondContact OD1-N 2.89Å; D787-K790 WeakPolarHBondContact OD1-CB 3.25Å; D787-K790 PolarHBondContact OD1-N 3.32Å; D787-W791 PolarHBondContact O-N 3.04Å
788	I	90.1	Very high	93.3	Very high	5 Å²	5	36.7 Å²	36.7	3%	0.026	20%	0.2	C	C	.	.	H	α-helix	trans	-74.2	-26.6	-177.9	-156.4	158.9	0	0	0	113.3	S287 C288 P291 S559 I560 K561 W791 S792	S287-I788 VanDerWaalsContact O-CD1 3.27Å; S287-I788 WeakPolarHBondContact O-CD1 3.45Å; C288-I788 HydrophobicContact CB-CD1 3.72Å; C288-I788 HydrophobicContact CB-CG1 3.83Å; P291-I788 HydrophobicContact CG-CG2 3.92Å; S559-I788 VanDerWaalsContact O-CD1 3.25Å; S559-I788 WeakPolarHBondContact O-CD1 3.49Å; S559-I788 WeakPolarHBondContact O-CG1 3.4Å; I560-I788 PolarHBondContact O-N 3.28Å; K561-I788 HydrophobicContact CB-CG2 4.22Å; I788-W791 PolarHBondContact O-N 2.68Å; I788-S792 PolarHBondContact O-N 3.27Å; I788-S792 PolarHBondContact O-OG 2.8Å
789	E	89.5	Confident	93	Very high	76 Å²	76	35 Å²	35	36%	0.355	19%	0.193	S	C	.	.	H	α-helix	trans	-73	-38.7	175.9	-66.4	-158.3	-163.2	0	0	111.1	H253 P291 K295 D787 W791 S792 G793	H253-E789 IonicContact NE2-OE2 3.72Å; P291-E789 HydrophobicContact CB-CG 4.01Å; P291-E789 HydrophobicContact CG-CG 4.46Å; K295-E789 IonicContact NZ-OE2 3.37Å; D787-E789 PolarHBondContact OD1-N 2.89Å; E789-W791 VanDerWaalsContact C-N 3.33Å; E789-W791 PolarHBondContact O-N 2.78Å; E789-S792 PolarHBondContact O-N 2.78Å; E789-S792 PolarHBondContact O-OG 2.64Å; E789-G793 PolarHBondContact O-N 2.7Å
790	K	91.3	Very high	92.9	Very high	98 Å²	98	35.5 Å²	35.5	43%	0.426	20%	0.195	S	C	.	.	H	α-helix	trans	-60.6	-42.7	171.8	-169.9	-179.5	-170.4	177.4	0	111.6	A785 N786 D787 S794	A785-K790 WeakPolarHBondContact O-CD 3.47Å; A785-K790 PolarHBondContact O-NZ 2.83Å; N786-K790 PolarHBondContact OD1-NZ 3.19Å; D787-K790 WeakPolarHBondContact OD1-CB 3.25Å; D787-K790 PolarHBondContact OD1-N 3.32Å; K790-S794 VanDerWaalsContact O-CB 3.31Å; K790-S794 WeakPolarHBondContact O-CB 3.38Å; K790-S794 PolarHBondContact O-N 3.38Å; K790-S794 PolarHBondContact O-OG 3.41Å
791	W	93.3	Very high	92.7	Very high	7 Å²	7	33.8 Å²	33.8	3%	0.027	19%	0.187	C	C	.	.	H	α-helix	trans	-57.6	-54.1	176.8	165.8	75.3	0	0	0	112.2	C288 W452 F477 H479 F556 V558 D787 I788 E789 S794 F795	C288-W791 HydrophobicContact CB-CE3 3.96Å; C288-W791 HydrophobicContact CB-CH2 4.09Å; C288-W791 HydrophobicContact CB-CZ3 3.56Å; C288-W791 WeakPolarHBondContact O-CZ3 3.07Å; C288-W791 VanDerWaalsContact SG-CH2 3.59Å; W452-W791 AromaticContact CH2-CH2 3.39Å; W452-W791 HydrophobicContact CH2-CH2 3.39Å; W452-W791 HydrophobicContact CH2-CZ2 4.13Å; W452-W791 AromaticContact CH2-CZ3 3.61Å; W452-W791 HydrophobicContact CH2-CZ3 3.61Å; W452-W791 AromaticContact CZ2-CH2 3.51Å; W452-W791 HydrophobicContact CZ2-CH2 3.51Å; W452-W791 AromaticContact CZ2-CZ2 3.85Å; W452-W791 HydrophobicContact CZ2-CZ2 3.85Å; W452-W791 HydrophobicContact CZ2-CZ3 4.18Å; W452-W791 HydrophobicContact CZ3-CH2 4.5Å; F477-W791 HydrophobicContact CD1-CZ2 4.08Å; F477-W791 AromaticContact CD2-CZ2 4Å; F477-W791 HydrophobicContact CD2-CZ2 4Å; F477-W791 HydrophobicContact CE1-CZ2 4.07Å; F477-W791 AromaticContact CE2-CE2 3.97Å; F477-W791 AromaticContact CE2-CZ2 3.99Å; F477-W791 HydrophobicContact CE2-CZ2 3.99Å; F477-W791 AromaticContact CE2-NE1 3.37Å; F477-W791 HydrophobicContact CG-CZ2 4.06Å; F477-W791 AromaticContact CZ-CE2 3.96Å; F477-W791 HydrophobicContact CZ-CZ2 4.03Å; F477-W791 AromaticContact CZ-NE1 3.25Å; F477-W791 VanDerWaalsContact CZ-NE1 3.25Å; H479-W791 AromaticContact CE1-CZ2 3.92Å; F556-W791 PolarHBondContact O-NE1 3.34Å; V558-W791 VanDerWaalsContact CA-CD1 3.47Å; V558-W791 HydrophobicContact CB-CD2 4.14Å; V558-W791 HydrophobicContact CB-CG 4.05Å; V558-W791 HydrophobicContact CG2-CD2 3.75Å; V558-W791 HydrophobicContact CG2-CE3 4.08Å; V558-W791 HydrophobicContact CG2-CG 4.02Å; V558-W791 HydrophobicContact CG2-CZ2 4.44Å; D787-W791 PolarHBondContact O-N 3.04Å; I788-W791 PolarHBondContact O-N 2.68Å; E789-W791 VanDerWaalsContact C-N 3.33Å; E789-W791 PolarHBondContact O-N 2.78Å; W791-S794 PolarHBondContact O-N 3.07Å; W791-F795 PolarHBondContact O-N 3.04Å; W791-F795 VanDerWaalsContact O-N 3.11Å
792	S	91.8	Very high	92.5	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.021	17%	0.174	C	C	.	.	H	α-helix	trans	-67.6	-40.5	-178.3	53.9	0	0	0	0	111.9	I788 E789 F795 L796	I788-S792 PolarHBondContact O-N 3.27Å; I788-S792 PolarHBondContact O-OG 2.8Å; E789-S792 PolarHBondContact O-N 2.78Å; E789-S792 PolarHBondContact O-OG 2.64Å; S792-F795 PolarHBondContact O-N 2.79Å; S792-L796 VanDerWaalsContact O-CB 3.26Å; S792-L796 WeakPolarHBondContact O-CB 3.33Å; S792-L796 VanDerWaalsContact O-CG 3.25Å; S792-L796 WeakPolarHBondContact O-CG 3.46Å; S792-L796 PolarHBondContact O-N 2.82Å
793	G	90.8	Very high	92.3	Very high	19 Å²	19	32.5 Å²	32.5	20%	0.196	18%	0.181	C	C	.	.	H	α-helix	trans	-58.6	-47.3	174.6	0	0	0	0	0	112.6	E789 L796 D797	E789-G793 PolarHBondContact O-N 2.7Å; G793-L796 PolarHBondContact O-N 2.88Å; G793-D797 PolarHBondContact O-N 2.97Å
794	S	92.9	Very high	92.1	Very high	53 Å²	53	32.8 Å²	32.8	37%	0.371	18%	0.183	S	C	.	.	H	α-helix	trans	-66.4	-39.6	179.5	-64.9	0	0	0	0	113.1	F556 K790 W791 W800	F556-S794 VanDerWaalsContact CE1-O 3.3Å; F556-S794 WeakPolarHBondContact CE1-O 3.49Å; K790-S794 VanDerWaalsContact O-CB 3.31Å; K790-S794 WeakPolarHBondContact O-CB 3.38Å; K790-S794 PolarHBondContact O-N 3.38Å; K790-S794 PolarHBondContact O-OG 3.41Å; W791-S794 PolarHBondContact O-N 3.07Å; S794-W800 PolarHBondContact O-NE1 3.3Å
795	F	94.4	Very high	92	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-70.6	-41.6	177.4	177.7	-93	0	0	0	112.1	F450 W452 F477 K508 F556 W791 S792 D797 W800	F450-F795 HydrophobicContact CE1-CE1 4.2Å; F450-F795 HydrophobicContact CZ-CE1 4.03Å; W452-F795 AromaticContact CD1-CE1 3.56Å; W452-F795 HydrophobicContact CD2-CD1 4.47Å; W452-F795 HydrophobicContact CD2-CE1 4.26Å; W452-F795 AromaticContact CE2-CD1 3.58Å; W452-F795 AromaticContact CE2-CE1 3.51Å; W452-F795 HydrophobicContact CG-CE1 4.27Å; W452-F795 HydrophobicContact CH2-CD1 4.46Å; W452-F795 AromaticContact CZ2-CD1 3.57Å; W452-F795 HydrophobicContact CZ2-CD1 3.57Å; W452-F795 AromaticContact CZ2-CE1 4Å; W452-F795 HydrophobicContact CZ2-CE1 4Å; W452-F795 HydrophobicContact CZ2-CG 4.24Å; W452-F795 AromaticContact NE1-CD1 3.59Å; W452-F795 AromaticContact NE1-CE1 3.03Å; W452-F795 AromaticContact NE1-CZ 3.59Å; F477-F795 AromaticContact CD2-CD2 3.73Å; F477-F795 HydrophobicContact CD2-CD2 3.73Å; F477-F795 AromaticContact CD2-CE2 3.88Å; F477-F795 HydrophobicContact CD2-CE2 3.88Å; F477-F795 HydrophobicContact CD2-CG 4.21Å; F477-F795 HydrophobicContact CD2-CZ 4.48Å; F477-F795 HydrophobicContact CE2-CD2 4.14Å; K508-F795 HydrophobicContact CD-CZ 4.33Å; K508-F795 HydrophobicContact CG-CE2 4.49Å; K508-F795 HydrophobicContact CG-CZ 4.02Å; K508-F795 PolarHBondContact NZ-O 2.82Å; F556-F795 HydrophobicContact CD1-CB 4.2Å; F556-F795 HydrophobicContact CD2-CB 4.38Å; F556-F795 AromaticContact CD2-CD2 3.71Å; F556-F795 HydrophobicContact CD2-CD2 3.71Å; F556-F795 AromaticContact CE2-CD2 3.79Å; F556-F795 HydrophobicContact CE2-CD2 3.79Å; F556-F795 HydrophobicContact CG-CB 4.12Å; F556-F795 HydrophobicContact CG-CD2 4.3Å; F556-F795 HydrophobicContact CZ-CD2 4.44Å; W791-F795 PolarHBondContact O-N 3.04Å; W791-F795 VanDerWaalsContact O-N 3.11Å; S792-F795 PolarHBondContact O-N 2.79Å; F795-D797 VanDerWaalsContact C-N 3.28Å; F795-D797 PolarHBondContact O-N 2.98Å; F795-W800 HydrophobicContact CD2-CH2 4.46Å; F795-W800 AromaticContact CD2-CZ2 3.83Å; F795-W800 HydrophobicContact CD2-CZ2 3.83Å; F795-W800 HydrophobicContact CE2-CH2 4.22Å; F795-W800 AromaticContact CE2-CZ2 3.88Å; F795-W800 HydrophobicContact CE2-CZ2 3.88Å; F795-W800 PolarHBondContact O-NE1 3.34Å
796	L	93.1	Very high	91.9	Very high	26 Å²	26	28.3 Å²	28.3	14%	0.136	15%	0.149	C	C	.	.	H	α-helix	trans	-74.9	-17	-178.2	-67.3	175.7	0	0	0	113.1	F254 V292 F450 W452 K508 S792 G793	F254-L796 HydrophobicContact CD2-CB 4.43Å; V292-L796 HydrophobicContact CB-CD1 4.48Å; V292-L796 HydrophobicContact CG1-CD1 3.77Å; V292-L796 HydrophobicContact CG2-CD1 3.81Å; F450-L796 HydrophobicContact CD1-CD2 3.61Å; F450-L796 HydrophobicContact CE1-CD2 3.35Å; F450-L796 HydrophobicContact CZ-CD2 4.26Å; W452-L796 HydrophobicContact CD2-CD2 4.37Å; W452-L796 HydrophobicContact CE3-CD2 4.23Å; W452-L796 HydrophobicContact CZ3-CD1 4.29Å; W452-L796 HydrophobicContact CZ3-CD2 4.45Å; K508-L796 PolarHBondContact NZ-O 3.46Å; S792-L796 VanDerWaalsContact O-CB 3.26Å; S792-L796 WeakPolarHBondContact O-CB 3.33Å; S792-L796 VanDerWaalsContact O-CG 3.25Å; S792-L796 WeakPolarHBondContact O-CG 3.46Å; S792-L796 PolarHBondContact O-N 2.82Å; G793-L796 PolarHBondContact O-N 2.88Å
797	D	91.9	Very high	91.7	Very high	30 Å²	30	28.9 Å²	28.9	16%	0.16	16%	0.156	C	C	.	.			trans	-52.7	122.7	174.6	-165.7	-21.9	0	0	0	111.2	F254 G793 F795 S799 W800	F254-D797 HydrophobicContact CE2-CB 4.38Å; F254-D797 VanDerWaalsContact CZ-CA 3.5Å; F254-D797 HydrophobicContact CZ-CB 3.92Å; G793-D797 PolarHBondContact O-N 2.97Å; F795-D797 VanDerWaalsContact C-N 3.28Å; F795-D797 PolarHBondContact O-N 2.98Å; D797-S799 VanDerWaalsContact CG-OG 3.3Å; D797-S799 PolarHBondContact O-N 3.26Å; D797-S799 WeakPolarHBondContact OD1-CB 3.28Å; D797-S799 PolarHBondContact OD1-N 3.03Å; D797-S799 PolarHBondContact OD1-OG 2.86Å; D797-S799 PolarHBondContact OD2-OG 2.8Å; D797-W800 PolarHBondContact O-NE1 3.45Å; D797-W800 VanDerWaalsContact O-NE1 3.08Å
798	P	89.7	Confident	91.6	Very high	18 Å²	18	30 Å²	30	12%	0.117	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-66.9	-19.3	175.6	26.9	-34.5	0	0	0	112.6	F254 W800 T801 V804 H842 H843	F254-P798 HydrophobicContact CE1-CG 4.19Å; P798-W800 PolarHBondContact O-N 2.81Å; P798-W800 VanDerWaalsContact O-N 3.12Å; P798-T801 WeakPolarHBondContact O-CG2 3.39Å; P798-T801 PolarHBondContact O-N 3.33Å; P798-T801 VanDerWaalsContact O-N 3.16Å; P798-T801 PolarHBondContact O-OG1 3.34Å; P798-T801 VanDerWaalsContact O-OG1 3.1Å; P798-V804 WeakPolarHBondContact O-CG2 3.44Å; P798-H842 HydrophobicContact CG-CB 4.35Å; P798-H843 HydrophobicContact CB-CB 4.1Å
799	S	91	Very high	91.7	Very high	21 Å²	21	36.6 Å²	36.6	15%	0.147	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-62.6	-23.7	-168.8	78.1	0	0	0	0	115.6	D797 Q806 L846	D797-S799 VanDerWaalsContact CG-OG 3.3Å; D797-S799 PolarHBondContact O-N 3.26Å; D797-S799 WeakPolarHBondContact OD1-CB 3.28Å; D797-S799 PolarHBondContact OD1-N 3.03Å; D797-S799 PolarHBondContact OD1-OG 2.86Å; D797-S799 PolarHBondContact OD2-OG 2.8Å; S799-Q806 PolarHBondContact O-NE2 2.66Å; S799-L846 VanDerWaalsContact CA-CD2 3.47Å
800	W	93.6	Very high	91.8	Very high	13 Å²	13	33.6 Å²	33.6	5%	0.049	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-95.1	-2.6	-177.3	71.7	-90	0	0	0	113.4	K508 T539 F556 S794 F795 D797 P798	K508-W800 HydrophobicContact CB-CH2 3.51Å; K508-W800 HydrophobicContact CB-CZ2 3.79Å; K508-W800 HydrophobicContact CB-CZ3 4.11Å; K508-W800 HydrophobicContact CD-CH2 4.23Å; K508-W800 HydrophobicContact CD-CZ2 3.6Å; K508-W800 HydrophobicContact CG-CH2 4.24Å; K508-W800 HydrophobicContact CG-CZ2 4.06Å; T539-W800 HydrophobicContact CG2-CB 4.03Å; F556-W800 AromaticContact CE2-CH2 3.66Å; F556-W800 HydrophobicContact CE2-CH2 3.66Å; F556-W800 AromaticContact CE2-CZ2 3.56Å; F556-W800 HydrophobicContact CE2-CZ2 3.56Å; F556-W800 HydrophobicContact CE2-CZ3 4.24Å; F556-W800 AromaticContact CZ-CD2 3.77Å; F556-W800 HydrophobicContact CZ-CD2 3.77Å; F556-W800 AromaticContact CZ-CE2 3.4Å; F556-W800 VanDerWaalsContact CZ-CE2 3.4Å; F556-W800 HydrophobicContact CZ-CE3 4.19Å; F556-W800 HydrophobicContact CZ-CG 4.27Å; F556-W800 AromaticContact CZ-CH2 3.87Å; F556-W800 HydrophobicContact CZ-CH2 3.87Å; F556-W800 AromaticContact CZ-CZ2 3.46Å; F556-W800 HydrophobicContact CZ-CZ2 3.46Å; F556-W800 VanDerWaalsContact CZ-CZ2 3.46Å; F556-W800 HydrophobicContact CZ-CZ3 4.24Å; F556-W800 AromaticContact CZ-NE1 3.76Å; S794-W800 PolarHBondContact O-NE1 3.3Å; F795-W800 HydrophobicContact CD2-CH2 4.46Å; F795-W800 AromaticContact CD2-CZ2 3.83Å; F795-W800 HydrophobicContact CD2-CZ2 3.83Å; F795-W800 HydrophobicContact CE2-CH2 4.22Å; F795-W800 AromaticContact CE2-CZ2 3.88Å; F795-W800 HydrophobicContact CE2-CZ2 3.88Å; F795-W800 PolarHBondContact O-NE1 3.34Å; D797-W800 PolarHBondContact O-NE1 3.45Å; D797-W800 VanDerWaalsContact O-NE1 3.08Å; P798-W800 PolarHBondContact O-N 2.81Å; P798-W800 VanDerWaalsContact O-N 3.12Å
801	T	92.4	Very high	91.7	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.006	19%	0.186	C	C	.	.	S	Bend	trans	-74.6	153.5	177.3	75.6	0	0	0	0	111.1	K508 S552 P798 E803 V804	K508-T801 HydrophobicContact CD-CG2 3.95Å; S552-T801 WeakPolarHBondContact OG-CA 3.4Å; P798-T801 WeakPolarHBondContact O-CG2 3.39Å; P798-T801 PolarHBondContact O-N 3.33Å; P798-T801 VanDerWaalsContact O-N 3.16Å; P798-T801 PolarHBondContact O-OG1 3.34Å; P798-T801 VanDerWaalsContact O-OG1 3.1Å; T801-E803 PolarHBondContact O-N 2.97Å; T801-V804 PolarHBondContact O-N 3.41Å; T801-V804 VanDerWaalsContact O-N 3.17Å
802	H	92.4	Very high	91.4	Very high	47 Å²	47	36.2 Å²	36.2	22%	0.218	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-15.6	176.5	64.5	-83.7	0	0	0	112.5	T507 Q543 T550 S552 V804	T507-H802 PolarHBondContact O-CE1 3.3Å; Q543-H802 HydrophobicContact CG-CB 3.98Å; T550-H802 HydrophobicContact CG2-CB 3.76Å; T550-H802 VanDerWaalsContact CG2-CG 3.5Å; T550-H802 PolarHBondContact O-CE1 3.07Å; T550-H802 PolarHBondContact O-NE2 3.29Å; S552-H802 WeakPolarHBondContact OG-CB 3.28Å; S552-H802 PolarHBondContact OG-N 3.31Å; S552-H802 PolarHBondContact OG-ND1 3.3Å; H802-V804 PolarHBondContact O-N 2.97Å
803	E	91.1	Very high	91	Very high	61 Å²	61	36.9 Å²	36.9	29%	0.285	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-15.8	174.2	-58.2	-177.2	135.7	0	0	111.7	T507 T801 R841 H843 S847	T507-E803 HydrophobicContact CG2-CG 4.46Å; T801-E803 PolarHBondContact O-N 2.97Å; E803-R841 IonicContact OE1-NH1 2.73Å; E803-R841 IonicContact OE2-NH1 3.85Å; E803-H843 IonicContact OE2-CE1 3.69Å; E803-H843 PolarHBondContact OE2-CE1 2.83Å; E803-H843 IonicContact OE2-ND1 3.92Å; E803-H843 PolarHBondContact OE2-ND1 2.8Å; E803-H843 IonicContact OE2-NE2 3.84Å; E803-S847 PolarHBondContact O-OG 2.95Å
804	V	93.2	Very high	90.6	Very high	6 Å²	6	43.5 Å²	43.5	4%	0.036	22%	0.223	C	C	.	.	S	Bend	trans	-88.2	124	177.4	176.2	0	0	0	0	111.6	P798 T801 H802 Q806 H843 L846 S847	P798-V804 WeakPolarHBondContact O-CG2 3.44Å; T801-V804 PolarHBondContact O-N 3.41Å; T801-V804 VanDerWaalsContact O-N 3.17Å; H802-V804 PolarHBondContact O-N 2.97Å; V804-Q806 PolarHBondContact O-N 2.79Å; V804-Q806 VanDerWaalsContact O-N 3.13Å; V804-H843 HydrophobicContact CG2-CB 3.63Å; V804-L846 HydrophobicContact CG1-CD2 3.92Å; V804-L846 HydrophobicContact CG1-CG 3.99Å; V804-L846 HydrophobicContact CG2-CD2 4.06Å; V804-S847 WeakPolarHBondContact CA-OG 3.44Å
805	I	93.4	Very high	90.4	Very high	12 Å²	12	43.7 Å²	43.7	6%	0.062	22%	0.219	C	C	.	.			trans	-65.2	111.4	164.3	-56.4	177.7	0	0	0	107.3	L819 Q822 T823 A826 S847 N850	I805-L819 HydrophobicContact CG2-CD1 3.55Å; I805-Q822 HydrophobicContact CD1-CB 3.72Å; I805-Q822 HydrophobicContact CG1-CB 3.97Å; I805-T823 HydrophobicContact CD1-CG2 4.1Å; I805-A826 HydrophobicContact CD1-CB 4.35Å; I805-S847 PolarHBondContact N-OG 3.23Å; I805-N850 WeakPolarHBondContact O-CB 3.47Å; I805-N850 PolarHBondContact O-ND2 3.14Å
806	Q	90.7	Very high	90.3	Very high	33 Å²	33	43.7 Å²	43.7	15%	0.154	22%	0.219	C	C	.	.			trans	-72.9	146.4	176.4	-62.5	-59.1	-39	0	0	110.1	S799 V804 V808	S799-Q806 PolarHBondContact O-NE2 2.66Å; V804-Q806 PolarHBondContact O-N 2.79Å; V804-Q806 VanDerWaalsContact O-N 3.13Å; Q806-V808 PolarHBondContact O-N 2.74Å; Q806-V808 VanDerWaalsContact O-N 3.13Å
807	S	88.7	Confident	90.1	Very high	42 Å²	42	44.7 Å²	44.7	29%	0.294	22%	0.222	S	C	.	.			trans	-60	120.1	167.6	-21.8	0	0	0	0	108.9	K538 S854	K538-S807 VanDerWaalsContact NZ-CB 3.27Å; K538-S807 PolarHBondContact NZ-O 3.35Å; K538-S807 PolarHBondContact NZ-OG 2.98Å; S807-S854 WeakPolarHBondContact CA-OG 3.31Å
808	V	89.4	Confident	90	Very high	60 Å²	60	46.5 Å²	46.5	36%	0.364	23%	0.234	S	C	.	.			trans	-110.4	148.9	179.8	-69.7	0	0	0	0	110.4	Q806 L810 L819 S854	Q806-V808 PolarHBondContact O-N 2.74Å; Q806-V808 VanDerWaalsContact O-N 3.13Å; V808-L810 HydrophobicContact CG2-CD2 3.71Å; V808-L810 HydrophobicContact CG2-CG 4.36Å; V808-L819 HydrophobicContact CG2-CD1 4.18Å; V808-L819 HydrophobicContact CG2-CD2 4.36Å; V808-S854 PolarHBondContact N-OG 2.99Å; V808-S854 WeakPolarHBondContact O-CB 3.39Å; V808-S854 PolarHBondContact O-OG 3.5Å
809	E	91.4	Very high	90.3	Very high	142 Å²	142	45.7 Å²	45.7	66%	0.664	23%	0.228	S	C	*	.			trans	-85.3	115.2	168.5	-168.8	-174.1	177.7	0	0	108.4	K811	E809-K811 VanDerWaalsContact CD-NZ 3.26Å; E809-K811 HydrophobicContact CG-CG 4.39Å; E809-K811 PolarHBondContact O-N 3.18Å; E809-K811 WeakPolarHBondContact OE1-CE 3.47Å; E809-K811 IonicContact OE1-NZ 2.78Å; E809-K811 PolarHBondContact OE1-NZ 3.43Å; E809-K811 WeakPolarHBondContact OE2-CE 3.38Å; E809-K811 IonicContact OE2-NZ 3.12Å; E809-K811 PolarHBondContact OE2-NZ 3.21Å
810	L	91.9	Very high	90.5	Very high	13 Å²	13	44.9 Å²	44.9	7%	0.068	22%	0.222	C	C	.	.			trans	-87.1	107.5	-177.3	-60	175.4	0	0	0	110	V808 D815 L819 L855 A858 M866 L868	V808-L810 HydrophobicContact CG2-CD2 3.71Å; V808-L810 HydrophobicContact CG2-CG 4.36Å; L810-D815 HydrophobicContact CD2-CB 3.87Å; L810-L819 HydrophobicContact CD1-CD2 3.93Å; L810-L819 HydrophobicContact CD2-CB 4.33Å; L810-L819 HydrophobicContact CD2-CD2 4.08Å; L810-L819 HydrophobicContact CG-CD2 4.49Å; L810-L855 HydrophobicContact CD1-CD2 3.8Å; L810-A858 HydrophobicContact CB-CB 3.91Å; L810-A858 HydrophobicContact CD1-CB 4.17Å; L810-A858 HydrophobicContact CG-CB 4.47Å; L810-M866 HydrophobicContact CB-SD 4.37Å; L810-M866 HydrophobicContact CD1-SD 3.75Å; L810-L868 HydrophobicContact CB-CD2 4.05Å
811	K	88.7	Confident	90.4	Very high	122 Å²	122	46 Å²	46	53%	0.53	23%	0.228	S	C	.	.			trans	-108.5	-30.7	179.2	-67.2	-178	-177.2	167	0	112.9	E809 D815 G869	E809-K811 VanDerWaalsContact CD-NZ 3.26Å; E809-K811 HydrophobicContact CG-CG 4.39Å; E809-K811 PolarHBondContact O-N 3.18Å; E809-K811 WeakPolarHBondContact OE1-CE 3.47Å; E809-K811 IonicContact OE1-NZ 2.78Å; E809-K811 PolarHBondContact OE1-NZ 3.43Å; E809-K811 WeakPolarHBondContact OE2-CE 3.38Å; E809-K811 IonicContact OE2-NZ 3.12Å; E809-K811 PolarHBondContact OE2-NZ 3.21Å; K811-D815 PolarHBondContact N-OD2 3.49Å; K811-G869 PolarHBondContact O-N 2.89Å
812	T	86.8	Confident	90.5	Very high	39 Å²	39	49.8 Å²	49.8	24%	0.239	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-126.8	160	-173.5	70	0	0	0	0	112.6	K814 D815 F816 G869	T812-K814 PolarHBondContact O-N 3.05Å; T812-K814 PolarHBondContact OG1-N 3.42Å; T812-D815 WeakPolarHBondContact CB-OD2 3.07Å; T812-D815 PolarHBondContact N-OD2 2.89Å; T812-D815 WeakPolarHBondContact O-CB 3.3Å; T812-D815 PolarHBondContact O-N 3.23Å; T812-D815 PolarHBondContact OG1-N 3.49Å; T812-D815 PolarHBondContact OG1-OD1 3.13Å; T812-D815 PolarHBondContact OG1-OD2 3.27Å; T812-F816 PolarHBondContact O-N 3.11Å; T812-G869 CarbonylContact C-O 3.57Å; T812-G869 WeakPolarHBondContact CA-O 3.49Å; T812-G869 WeakPolarHBondContact CB-O 3.1Å
813	L	83.2	Confident	90.7	Very high	17 Å²	17	47.6 Å²	47.6	9%	0.089	24%	0.235	C	C	.	.	H	α-helix	trans	-55.2	-34.1	170.9	-74.3	175.6	0	0	0	112.3	F816 Y817 L868 G869 T870 A878 L880 W1060	L813-F816 PolarHBondContact O-N 2.8Å; L813-Y817 HydrophobicContact CB-CD2 4.43Å; L813-Y817 HydrophobicContact CB-CE2 4.23Å; L813-Y817 HydrophobicContact CD2-CE2 4.4Å; L813-Y817 WeakPolarHBondContact O-CD2 3.48Å; L813-Y817 PolarHBondContact O-N 2.81Å; L813-L868 HydrophobicContact CD2-CB 4.34Å; L813-L868 HydrophobicContact CD2-CD1 4.09Å; L813-L868 HydrophobicContact CG-CB 4.46Å; L813-G869 PolarHBondContact N-O 2.97Å; L813-T870 HydrophobicContact CD1-CG2 4.22Å; L813-A878 HydrophobicContact CD1-CB 4.12Å; L813-A878 HydrophobicContact CD2-CB 4Å; L813-A878 HydrophobicContact CG-CB 4.25Å; L813-L880 HydrophobicContact CD2-CD1 3.81Å; L813-L880 HydrophobicContact CD2-CG 4.49Å; L813-W1060 HydrophobicContact CD1-CB 4.49Å; L813-W1060 HydrophobicContact CD1-CG 4.11Å
814	K	81.9	Confident	90.9	Very high	158 Å²	158	46.4 Å²	46.4	69%	0.687	23%	0.228	S	C	*	.	H	α-helix	trans	-63.5	-42	176.6	-178.6	-178.6	174.7	-173	0	111.4	T812 T818	T812-K814 PolarHBondContact O-N 3.05Å; T812-K814 PolarHBondContact OG1-N 3.42Å; K814-T818 VanDerWaalsContact O-CB 3.28Å; K814-T818 WeakPolarHBondContact O-CB 3.34Å; K814-T818 PolarHBondContact O-N 3.3Å; K814-T818 PolarHBondContact O-OG1 3.16Å
815	D	90.2	Very high	90.9	Very high	56 Å²	56	49.1 Å²	49.1	30%	0.299	25%	0.245	S	C	.	.	H	α-helix	trans	-63.6	-45.3	179	-53	-37.7	0	0	0	110.3	L810 K811 T812 T818 L819	L810-D815 HydrophobicContact CD2-CB 3.87Å; K811-D815 PolarHBondContact N-OD2 3.49Å; T812-D815 WeakPolarHBondContact CB-OD2 3.07Å; T812-D815 PolarHBondContact N-OD2 2.89Å; T812-D815 WeakPolarHBondContact O-CB 3.3Å; T812-D815 PolarHBondContact O-N 3.23Å; T812-D815 PolarHBondContact OG1-N 3.49Å; T812-D815 PolarHBondContact OG1-OD1 3.13Å; T812-D815 PolarHBondContact OG1-OD2 3.27Å; D815-T818 PolarHBondContact O-N 2.84Å; D815-L819 PolarHBondContact O-N 3.36Å
816	F	91.3	Very high	91	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.2	-52.7	176.4	171.4	-116.8	0	0	0	112.5	T812 L813 T818 L819 M820 L855 M866 L868 L880 V882	T812-F816 PolarHBondContact O-N 3.11Å; L813-F816 PolarHBondContact O-N 2.8Å; F816-T818 VanDerWaalsContact C-N 3.3Å; F816-T818 PolarHBondContact O-N 3.45Å; F816-L819 WeakPolarHBondContact O-CB 3.46Å; F816-L819 PolarHBondContact O-N 2.87Å; F816-L819 VanDerWaalsContact O-N 3.17Å; F816-M820 HydrophobicContact CD2-CE 4.25Å; F816-M820 HydrophobicContact CD2-CG 4.18Å; F816-M820 HydrophobicContact CE1-CG 4.35Å; F816-M820 HydrophobicContact CE2-CE 3.95Å; F816-M820 HydrophobicContact CE2-CG 3.79Å; F816-M820 HydrophobicContact CE2-SD 3.9Å; F816-M820 HydrophobicContact CZ-CG 3.89Å; F816-M820 HydrophobicContact CZ-SD 4.25Å; F816-M820 WeakPolarHBondContact O-CG 3.23Å; F816-M820 PolarHBondContact O-N 3.41Å; F816-L855 HydrophobicContact CD2-CD2 3.83Å; F816-L855 HydrophobicContact CE2-CD2 3.74Å; F816-M866 HydrophobicContact CB-CE 4.27Å; F816-M866 HydrophobicContact CD2-CE 3.37Å; F816-M866 HydrophobicContact CE2-CE 3.72Å; F816-M866 HydrophobicContact CG-CE 3.82Å; F816-M866 HydrophobicContact CZ-CE 4.44Å; F816-L868 HydrophobicContact CB-CD1 3.51Å; F816-L868 HydrophobicContact CD1-CD1 4.45Å; F816-L868 HydrophobicContact CG-CD1 4.04Å; F816-L880 HydrophobicContact CD1-CD1 3.7Å; F816-L880 HydrophobicContact CE1-CD1 3.63Å; F816-L880 HydrophobicContact CG-CD1 4.47Å; F816-L880 HydrophobicContact CZ-CD1 4.35Å; F816-V882 HydrophobicContact CE2-CG1 3.91Å; F816-V882 HydrophobicContact CZ-CG1 3.98Å
817	Y	88.3	Confident	91.3	Very high	48 Å²	48	47.6 Å²	47.6	19%	0.188	24%	0.238	C	C	.	.	H	α-helix	trans	-64.5	-35.7	179.5	-69.5	-51.9	0	0	0	112.5	L813 L819 M820 F821 S959 N961	L813-Y817 HydrophobicContact CB-CD2 4.43Å; L813-Y817 HydrophobicContact CB-CE2 4.23Å; L813-Y817 HydrophobicContact CD2-CE2 4.4Å; L813-Y817 WeakPolarHBondContact O-CD2 3.48Å; L813-Y817 PolarHBondContact O-N 2.81Å; Y817-L819 VanDerWaalsContact C-N 3.35Å; Y817-M820 PolarHBondContact O-N 2.91Å; Y817-F821 WeakPolarHBondContact O-CD2 3.33Å; Y817-F821 PolarHBondContact O-N 3.26Å; Y817-S959 VanDerWaalsContact CE1-OG 3.31Å; Y817-S959 WeakPolarHBondContact CE1-OG 3.34Å; Y817-S959 PolarHBondContact OH-OG 3.39Å; Y817-N961 HydrophobicContact CD1-CB 3.67Å; Y817-N961 HydrophobicContact CE1-CB 3.43Å; Y817-N961 VanDerWaalsContact CE1-CB 3.43Å; Y817-N961 HydrophobicContact CG-CB 4.49Å
818	T	91.2	Very high	91.6	Very high	67 Å²	67	49.4 Å²	49.4	41%	0.411	24%	0.239	S	C	.	.	H	α-helix	trans	-60.5	-45.9	173.8	-58.1	0	0	0	0	110.8	K814 D815 F816 M820 F821 Q822	K814-T818 VanDerWaalsContact O-CB 3.28Å; K814-T818 WeakPolarHBondContact O-CB 3.34Å; K814-T818 PolarHBondContact O-N 3.3Å; K814-T818 PolarHBondContact O-OG1 3.16Å; D815-T818 PolarHBondContact O-N 2.84Å; F816-T818 VanDerWaalsContact C-N 3.3Å; F816-T818 PolarHBondContact O-N 3.45Å; T818-M820 VanDerWaalsContact C-N 3.35Å; T818-M820 PolarHBondContact O-N 3.08Å; T818-F821 PolarHBondContact O-N 2.94Å; T818-Q822 WeakPolarHBondContact O-CG 3.36Å; T818-Q822 PolarHBondContact O-N 3.48Å
819	L	95.2	Very high	91.7	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-59.9	-44.8	174.9	-177.5	64.2	0	0	0	111.2	I805 V808 L810 D815 F816 Y817 F821 Q822 T823 A851 L855	I805-L819 HydrophobicContact CG2-CD1 3.55Å; V808-L819 HydrophobicContact CG2-CD1 4.18Å; V808-L819 HydrophobicContact CG2-CD2 4.36Å; L810-L819 HydrophobicContact CD1-CD2 3.93Å; L810-L819 HydrophobicContact CD2-CB 4.33Å; L810-L819 HydrophobicContact CD2-CD2 4.08Å; L810-L819 HydrophobicContact CG-CD2 4.49Å; D815-L819 PolarHBondContact O-N 3.36Å; F816-L819 WeakPolarHBondContact O-CB 3.46Å; F816-L819 PolarHBondContact O-N 2.87Å; F816-L819 VanDerWaalsContact O-N 3.17Å; Y817-L819 VanDerWaalsContact C-N 3.35Å; L819-F821 PolarHBondContact O-N 3.43Å; L819-Q822 WeakPolarHBondContact O-CB 3.36Å; L819-Q822 PolarHBondContact O-N 2.98Å; L819-Q822 VanDerWaalsContact O-N 3.13Å; L819-T823 WeakPolarHBondContact O-CG2 3.3Å; L819-T823 PolarHBondContact O-N 3.34Å; L819-A851 HydrophobicContact CD1-CB 3.94Å; L819-A851 HydrophobicContact CD2-CB 4.47Å; L819-A851 HydrophobicContact CG-CB 4.35Å; L819-L855 HydrophobicContact CD2-CD2 4.23Å; L819-L855 HydrophobicContact CD2-CG 4.27Å
820	M	94.5	Very high	91.8	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.02	21%	0.212	C	C	.	.	H	α-helix	trans	-60.8	-43.8	178	-66	-54.5	97	0	0	111.6	F816 Y817 T818 Q822 T823 R824 L855 E885 I964	F816-M820 HydrophobicContact CD2-CE 4.25Å; F816-M820 HydrophobicContact CD2-CG 4.18Å; F816-M820 HydrophobicContact CE1-CG 4.35Å; F816-M820 HydrophobicContact CE2-CE 3.95Å; F816-M820 HydrophobicContact CE2-CG 3.79Å; F816-M820 HydrophobicContact CE2-SD 3.9Å; F816-M820 HydrophobicContact CZ-CG 3.89Å; F816-M820 HydrophobicContact CZ-SD 4.25Å; F816-M820 WeakPolarHBondContact O-CG 3.23Å; F816-M820 PolarHBondContact O-N 3.41Å; Y817-M820 PolarHBondContact O-N 2.91Å; T818-M820 VanDerWaalsContact C-N 3.35Å; T818-M820 PolarHBondContact O-N 3.08Å; M820-Q822 VanDerWaalsContact C-N 3.31Å; M820-Q822 PolarHBondContact O-N 2.94Å; M820-T823 PolarHBondContact O-N 3.29Å; M820-T823 PolarHBondContact O-OG1 3.32Å; M820-R824 PolarHBondContact O-N 2.9Å; M820-L855 HydrophobicContact CE-CD1 4.04Å; M820-L855 HydrophobicContact CE-CD2 4.01Å; M820-L855 HydrophobicContact CE-CG 4.37Å; M820-E885 HydrophobicContact SD-CG 4.16Å; M820-I964 HydrophobicContact CB-CG1 4.22Å
821	F	92.2	Very high	91.9	Very high	38 Å²	38	43.9 Å²	43.9	17%	0.167	21%	0.209	C	C	.	.	H	α-helix	trans	-64.6	-32.7	175	-77.8	-60.9	0	0	0	113.6	Y817 T818 L819 R824 T825 Y995 M1000	Y817-F821 WeakPolarHBondContact O-CD2 3.33Å; Y817-F821 PolarHBondContact O-N 3.26Å; T818-F821 PolarHBondContact O-N 2.94Å; L819-F821 PolarHBondContact O-N 3.43Å; F821-R824 VanDerWaalsContact CD1-CZ 3.45Å; F821-R824 WeakPolarHBondContact O-CB 3.31Å; F821-R824 PolarHBondContact O-N 3.22Å; F821-T825 PolarHBondContact O-N 3.28Å; F821-T825 VanDerWaalsContact O-N 3.13Å; F821-T825 PolarHBondContact O-OG1 3.2Å; F821-Y995 HydrophobicContact CE1-CD1 4.22Å; F821-Y995 HydrophobicContact CE1-CE1 4.33Å; F821-Y995 HydrophobicContact CE2-CD1 4.02Å; F821-Y995 AromaticContact CE2-CE1 3.58Å; F821-Y995 HydrophobicContact CE2-CE1 3.58Å; F821-Y995 AromaticContact CZ-CD1 3.38Å; F821-Y995 HydrophobicContact CZ-CD1 3.38Å; F821-Y995 AromaticContact CZ-CE1 3.39Å; F821-Y995 HydrophobicContact CZ-CE1 3.39Å; F821-M1000 HydrophobicContact CE1-CE 4.21Å; F821-M1000 HydrophobicContact CZ-CE 4.07Å
822	Q	94.5	Very high	91.9	Very high	79 Å²	79	39.9 Å²	39.9	37%	0.369	19%	0.193	S	C	.	.	H	α-helix	trans	-66.2	-45.3	172.3	-71.6	173.9	-30.9	0	0	111.2	I805 T818 L819 M820 R824 T825 A826	I805-Q822 HydrophobicContact CD1-CB 3.72Å; I805-Q822 HydrophobicContact CG1-CB 3.97Å; T818-Q822 WeakPolarHBondContact O-CG 3.36Å; T818-Q822 PolarHBondContact O-N 3.48Å; L819-Q822 WeakPolarHBondContact O-CB 3.36Å; L819-Q822 PolarHBondContact O-N 2.98Å; L819-Q822 VanDerWaalsContact O-N 3.13Å; M820-Q822 VanDerWaalsContact C-N 3.31Å; M820-Q822 PolarHBondContact O-N 2.94Å; Q822-R824 VanDerWaalsContact C-N 3.27Å; Q822-R824 PolarHBondContact O-N 2.82Å; Q822-T825 PolarHBondContact O-N 2.81Å; Q822-T825 VanDerWaalsContact O-N 3.14Å; Q822-A826 PolarHBondContact O-N 3.38Å
823	T	96.6	Very high	91.9	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.006	18%	0.184	C	C	.	.	H	α-helix	trans	-61.2	-37.1	176	67.9	0	0	0	0	111.8	I805 L819 M820 T825 A826 R827 A851 L889	I805-T823 HydrophobicContact CD1-CG2 4.1Å; L819-T823 WeakPolarHBondContact O-CG2 3.3Å; L819-T823 PolarHBondContact O-N 3.34Å; M820-T823 PolarHBondContact O-N 3.29Å; M820-T823 PolarHBondContact O-OG1 3.32Å; T823-T825 PolarHBondContact O-N 3.46Å; T823-A826 PolarHBondContact O-N 3.05Å; T823-R827 WeakPolarHBondContact O-CB 3.42Å; T823-R827 WeakPolarHBondContact O-CG 3.48Å; T823-R827 PolarHBondContact O-N 3.48Å; T823-A851 HydrophobicContact CG2-CB 3.57Å; T823-L889 HydrophobicContact CG2-CD2 4.26Å
824	R	95.1	Very high	92	Very high	36 Å²	36	38 Å²	38	14%	0.136	18%	0.181	C	C	.	.	H	α-helix	trans	-58	-48.8	172.6	-177.8	-164	68.2	-178.3	0.6	112	M820 F821 Q822 A826 R827 R828 I964 D999 V1002	M820-R824 PolarHBondContact O-N 2.9Å; F821-R824 VanDerWaalsContact CD1-CZ 3.45Å; F821-R824 WeakPolarHBondContact O-CB 3.31Å; F821-R824 PolarHBondContact O-N 3.22Å; Q822-R824 VanDerWaalsContact C-N 3.27Å; Q822-R824 PolarHBondContact O-N 2.82Å; R824-A826 VanDerWaalsContact C-N 3.34Å; R824-A826 PolarHBondContact O-N 3.15Å; R824-R827 PolarHBondContact O-N 2.87Å; R824-R828 WeakPolarHBondContact O-CG 3.38Å; R824-R828 PolarHBondContact O-N 3.42Å; R824-I964 HydrophobicContact CB-CD1 3.84Å; R824-I964 HydrophobicContact CB-CG1 4.12Å; R824-I964 HydrophobicContact CB-CG2 3.6Å; R824-I964 HydrophobicContact CG-CD1 4.14Å; R824-I964 HydrophobicContact CG-CG2 3.98Å; R824-D999 WeakPolarHBondContact CD-O 3.43Å; R824-D999 PolarHBondContact NH1-O 2.93Å; R824-D999 IonicContact NH1-OD1 2.67Å; R824-V1002 HydrophobicContact CG-CG1 3.94Å
825	T	93.3	Very high	92.1	Very high	63 Å²	63	32 Å²	32	39%	0.387	16%	0.157	S	C	.	.	H	α-helix	trans	-60.9	-45.5	179.3	-59.1	0	0	0	0	110.6	F821 Q822 T823 R827 R828 H829	F821-T825 PolarHBondContact O-N 3.28Å; F821-T825 VanDerWaalsContact O-N 3.13Å; F821-T825 PolarHBondContact O-OG1 3.2Å; Q822-T825 PolarHBondContact O-N 2.81Å; Q822-T825 VanDerWaalsContact O-N 3.14Å; T823-T825 PolarHBondContact O-N 3.46Å; T825-R827 PolarHBondContact O-N 3.33Å; T825-R828 PolarHBondContact O-N 3.48Å; T825-H829 PolarHBondContact O-CD2 3.41Å; T825-H829 PolarHBondContact O-N 2.66Å
826	A	95.2	Very high	91.4	Very high	8 Å²	8	34.8 Å²	34.8	7%	0.066	17%	0.166	C	C	.	.	H	α-helix	trans	-59.2	-47.6	174.7	0	0	0	0	0	111.9	I805 Q822 T823 R824 R828 H829 I830 F844	I805-A826 HydrophobicContact CD1-CB 4.35Å; Q822-A826 PolarHBondContact O-N 3.38Å; T823-A826 PolarHBondContact O-N 3.05Å; R824-A826 VanDerWaalsContact C-N 3.34Å; R824-A826 PolarHBondContact O-N 3.15Å; A826-R828 PolarHBondContact O-N 2.95Å; A826-H829 PolarHBondContact O-N 2.69Å; A826-I830 WeakPolarHBondContact O-CG1 3.27Å; A826-I830 PolarHBondContact O-N 2.86Å; A826-F844 HydrophobicContact CB-CD1 4.37Å
827	R	97.1	Very high	90.6	Very high	5 Å²	5	36.1 Å²	36.1	2%	0.019	18%	0.18	C	C	.	.	H	α-helix	trans	-60.7	-40.8	177.5	-73.7	168.1	167.3	172.3	-5.3	112.7	T823 R824 T825 H829 I830 V831 L848 D892 E965 A967 V1002	T823-R827 WeakPolarHBondContact O-CB 3.42Å; T823-R827 WeakPolarHBondContact O-CG 3.48Å; T823-R827 PolarHBondContact O-N 3.48Å; R824-R827 PolarHBondContact O-N 2.87Å; T825-R827 PolarHBondContact O-N 3.33Å; R827-H829 VanDerWaalsContact C-N 3.33Å; R827-H829 PolarHBondContact O-N 3.48Å; R827-I830 WeakPolarHBondContact O-CB 3.25Å; R827-I830 PolarHBondContact O-N 3.44Å; R827-V831 VanDerWaalsContact O-CG2 3.24Å; R827-V831 WeakPolarHBondContact O-CG2 3.48Å; R827-V831 PolarHBondContact O-N 2.84Å; R827-L848 HydrophobicContact CG-CD2 4.48Å; R827-D892 IonicContact CZ-OD2 3.68Å; R827-D892 IonicContact NE-OD2 3.62Å; R827-D892 PolarHBondContact NE-OD2 3.37Å; R827-D892 IonicContact NH2-OD2 3.82Å; R827-D892 PolarHBondContact NH2-OD2 2.95Å; R827-E965 WeakPolarHBondContact CD-O 3.29Å; R827-A967 HydrophobicContact CB-CB 4.25Å; R827-A967 HydrophobicContact CG-CB 4.13Å; R827-V1002 HydrophobicContact CB-CB 4.21Å; R827-V1002 HydrophobicContact CB-CG1 3.77Å; R827-V1002 HydrophobicContact CB-CG2 4.42Å
828	R	94.9	Very high	90	Very high	81 Å²	81	36.5 Å²	36.5	31%	0.306	18%	0.183	S	C	.	.	H	α-helix	trans	-57.1	-45.9	173.4	-81.2	177.8	176.2	-177.3	-2.6	111.9	R824 T825 A826 V831 D832 L998 V1001 V1002	R824-R828 WeakPolarHBondContact O-CG 3.38Å; R824-R828 PolarHBondContact O-N 3.42Å; T825-R828 PolarHBondContact O-N 3.48Å; A826-R828 PolarHBondContact O-N 2.95Å; R828-V831 PolarHBondContact O-N 3.36Å; R828-D832 VanDerWaalsContact O-CB 3.28Å; R828-D832 WeakPolarHBondContact O-CB 3.4Å; R828-D832 PolarHBondContact O-N 3.34Å; R828-L998 PolarHBondContact NH2-O 3.42Å; R828-V1001 PolarHBondContact NE-O 3.35Å; R828-V1001 VanDerWaalsContact NE-O 3.08Å; R828-V1001 PolarHBondContact NH2-O 2.94Å; R828-V1002 HydrophobicContact CG-CB 3.79Å; R828-V1002 HydrophobicContact CG-CG1 4.08Å
829	H	91.8	Very high	89.2	Confident	99 Å²	99	34.7 Å²	34.7	46%	0.458	17%	0.172	S	C	.	.	H	α-helix	trans	-68.2	-37.9	177.9	-70.5	-60.7	0	0	0	112.8	T825 A826 R827 R833 F844	T825-H829 PolarHBondContact O-CD2 3.41Å; T825-H829 PolarHBondContact O-N 2.66Å; A826-H829 PolarHBondContact O-N 2.69Å; R827-H829 VanDerWaalsContact C-N 3.33Å; R827-H829 PolarHBondContact O-N 3.48Å; H829-R833 WeakPolarHBondContact O-CB 3.43Å; H829-R833 VanDerWaalsContact O-CG 3.29Å; H829-R833 WeakPolarHBondContact O-CG 3.47Å; H829-R833 PolarHBondContact O-N 3.22Å; H829-F844 HydrophobicContact CB-CE1 3.49Å; H829-F844 VanDerWaalsContact CB-CE1 3.49Å; H829-F844 HydrophobicContact CB-CZ 3.52Å
830	I	93.5	Very high	88.7	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-58.2	-55.5	172.7	-67.7	163.2	0	0	0	109.3	A826 R827 D832 R833 V834 I840 F844 L848 F895 L896 A967	A826-I830 WeakPolarHBondContact O-CG1 3.27Å; A826-I830 PolarHBondContact O-N 2.86Å; R827-I830 WeakPolarHBondContact O-CB 3.25Å; R827-I830 PolarHBondContact O-N 3.44Å; I830-D832 PolarHBondContact O-N 3.31Å; I830-R833 PolarHBondContact O-N 3.36Å; I830-R833 VanDerWaalsContact O-N 3.15Å; I830-V834 HydrophobicContact CG2-CG2 4.19Å; I830-V834 WeakPolarHBondContact O-CG2 3.41Å; I830-V834 PolarHBondContact O-N 2.79Å; I830-I840 HydrophobicContact CB-CD1 4.43Å; I830-I840 HydrophobicContact CG2-CD1 4.02Å; I830-F844 HydrophobicContact CD1-CB 3.95Å; I830-F844 HydrophobicContact CD1-CD1 4.29Å; I830-F844 HydrophobicContact CD1-CG 4.25Å; I830-F844 HydrophobicContact CG1-CB 3.84Å; I830-F844 HydrophobicContact CG1-CD1 3.79Å; I830-F844 HydrophobicContact CG1-CD2 4.2Å; I830-F844 HydrophobicContact CG1-CE1 4.44Å; I830-F844 HydrophobicContact CG1-CG 3.67Å; I830-L848 HydrophobicContact CD1-CD1 3.86Å; I830-L848 HydrophobicContact CD1-CG 4.49Å; I830-F895 HydrophobicContact CG2-CE1 4.49Å; I830-L896 HydrophobicContact CD1-CD1 4.24Å; I830-L896 HydrophobicContact CD1-CD2 4.17Å; I830-L896 HydrophobicContact CG1-CD2 4.29Å; I830-L896 HydrophobicContact CG2-CD2 3.6Å; I830-A967 HydrophobicContact CB-CB 4.21Å; I830-A967 HydrophobicContact CG2-CB 3.79Å
831	V	93.9	Very high	88.2	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.1	-47.3	-177.1	175.2	0	0	0	0	111.3	R827 R828 R833 V834 V835 A967 A970 V971 V1002 L1003	R827-V831 VanDerWaalsContact O-CG2 3.24Å; R827-V831 WeakPolarHBondContact O-CG2 3.48Å; R827-V831 PolarHBondContact O-N 2.84Å; R828-V831 PolarHBondContact O-N 3.36Å; V831-R833 VanDerWaalsContact C-N 3.27Å; V831-R833 PolarHBondContact O-N 3.21Å; V831-V834 PolarHBondContact O-N 2.95Å; V831-V835 HydrophobicContact CG1-CG2 4.09Å; V831-V835 VanDerWaalsContact O-CB 3.32Å; V831-V835 WeakPolarHBondContact O-CB 3.33Å; V831-V835 VanDerWaalsContact O-CG2 3.25Å; V831-V835 WeakPolarHBondContact O-CG2 3.47Å; V831-V835 PolarHBondContact O-N 3.22Å; V831-A967 HydrophobicContact CG2-CB 3.94Å; V831-A970 HydrophobicContact CG1-CB 4.08Å; V831-A970 HydrophobicContact CG2-CB 3.6Å; V831-V971 HydrophobicContact CB-CG2 4.44Å; V831-V971 HydrophobicContact CG1-CG2 4.28Å; V831-V971 HydrophobicContact CG2-CG2 4.17Å; V831-V1002 HydrophobicContact CG2-CG2 3.87Å; V831-L1003 HydrophobicContact CG1-CD2 4.34Å
832	D	88.7	Confident	87.8	Confident	37 Å²	37	37.5 Å²	37.5	20%	0.198	19%	0.185	C	C	.	.	H	α-helix	trans	-57.2	-41.3	177.3	-173.9	71.2	0	0	0	111.8	R828 I830 K836 P1004	R828-D832 VanDerWaalsContact O-CB 3.28Å; R828-D832 WeakPolarHBondContact O-CB 3.4Å; R828-D832 PolarHBondContact O-N 3.34Å; I830-D832 PolarHBondContact O-N 3.31Å; D832-K836 VanDerWaalsContact O-CB 3.28Å; D832-K836 WeakPolarHBondContact O-CB 3.39Å; D832-K836 WeakPolarHBondContact O-CD 3.36Å; D832-K836 VanDerWaalsContact O-CG 3.22Å; D832-K836 WeakPolarHBondContact O-CG 3.31Å; D832-K836 PolarHBondContact O-N 3.02Å; D832-K836 VanDerWaalsContact O-N 3.15Å; D832-K836 WeakPolarHBondContact OD1-CE 3.45Å; D832-K836 IonicContact OD1-NZ 2.8Å; D832-K836 PolarHBondContact OD1-NZ 3.48Å; D832-K836 IonicContact OD2-NZ 2.67Å; D832-K836 PolarHBondContact OD2-NZ 2.95Å; D832-P1004 HydrophobicContact CB-CG 4.5Å
833	R	86.4	Confident	87.6	Confident	14 Å²	14	34 Å²	34	5%	0.053	17%	0.169	C	C	.	.	H	α-helix	trans	-67.5	-52.1	176.1	-76.9	179.2	173.6	-94.1	-8.7	112.1	N471 H829 I830 V831 V835 K836 G837 F838 P839 I840 R841	N471-R833 PolarHBondContact O-NH2 3.11Å; H829-R833 WeakPolarHBondContact O-CB 3.43Å; H829-R833 VanDerWaalsContact O-CG 3.29Å; H829-R833 WeakPolarHBondContact O-CG 3.47Å; H829-R833 PolarHBondContact O-N 3.22Å; I830-R833 PolarHBondContact O-N 3.36Å; I830-R833 VanDerWaalsContact O-N 3.15Å; V831-R833 VanDerWaalsContact C-N 3.27Å; V831-R833 PolarHBondContact O-N 3.21Å; R833-V835 VanDerWaalsContact C-N 3.33Å; R833-V835 PolarHBondContact O-N 3.17Å; R833-K836 PolarHBondContact O-N 3.43Å; R833-G837 PolarHBondContact O-N 2.79Å; R833-G837 VanDerWaalsContact O-N 3.07Å; R833-F838 CarbonylContact C-O 3.53Å; R833-F838 HydrophobicContact CB-CB 3.99Å; R833-F838 HydrophobicContact CG-CB 4.04Å; R833-F838 PolarHBondContact O-N 2.74Å; R833-P839 PolarHBondContact NH1-O 2.8Å; R833-P839 VanDerWaalsContact NH1-O 3.1Å; R833-I840 HydrophobicContact CB-CD1 3.76Å; R833-R841 VanDerWaalsContact NH2-CZ 3.33Å
834	V	86	Confident	87.4	Confident	3 Å²	3	34.3 Å²	34.3	2%	0.018	17%	0.17	C	C	.	.	H	α-helix	trans	-57.7	-48.7	-178.3	-179.8	0	0	0	0	110.7	L330 I830 V831 K836 G837 I840 F895 V899 V971	L330-V834 HydrophobicContact CD1-CG1 3.55Å; L330-V834 WeakPolarHBondContact CD2-O 3.39Å; I830-V834 HydrophobicContact CG2-CG2 4.19Å; I830-V834 WeakPolarHBondContact O-CG2 3.41Å; I830-V834 PolarHBondContact O-N 2.79Å; V831-V834 PolarHBondContact O-N 2.95Å; V834-K836 VanDerWaalsContact C-N 3.33Å; V834-K836 PolarHBondContact O-N 3.24Å; V834-G837 PolarHBondContact O-N 2.78Å; V834-I840 HydrophobicContact CG2-CD1 3.71Å; V834-I840 HydrophobicContact CG2-CG1 4.1Å; V834-F895 HydrophobicContact CG1-CZ 4.43Å; V834-F895 HydrophobicContact CG2-CE1 4.29Å; V834-F895 HydrophobicContact CG2-CZ 4.48Å; V834-V899 HydrophobicContact CG1-CG1 4.08Å; V834-V899 HydrophobicContact CG1-CG2 4.29Å; V834-V899 HydrophobicContact CG2-CG1 3.91Å; V834-V899 HydrophobicContact CG2-CG2 4.34Å; V834-V971 HydrophobicContact CB-CG2 3.88Å; V834-V971 HydrophobicContact CG1-CG1 3.77Å; V834-V971 HydrophobicContact CG1-CG2 3.92Å; V834-V971 HydrophobicContact CG2-CG2 4.34Å
835	V	84.1	Confident	87.3	Confident	31 Å²	31	34.2 Å²	34.2	19%	0.188	18%	0.177	C	C	.	.	H	α-helix	trans	-67	-33.2	-176.7	173.9	0	0	0	0	112.2	V831 R833 G837 V971 A974 Y1007	V831-V835 HydrophobicContact CG1-CG2 4.09Å; V831-V835 VanDerWaalsContact O-CB 3.32Å; V831-V835 WeakPolarHBondContact O-CB 3.33Å; V831-V835 VanDerWaalsContact O-CG2 3.25Å; V831-V835 WeakPolarHBondContact O-CG2 3.47Å; V831-V835 PolarHBondContact O-N 3.22Å; R833-V835 VanDerWaalsContact C-N 3.33Å; R833-V835 PolarHBondContact O-N 3.17Å; V835-G837 VanDerWaalsContact C-N 3.26Å; V835-G837 PolarHBondContact O-N 2.88Å; V835-V971 HydrophobicContact CG2-CG2 4.41Å; V835-A974 HydrophobicContact CG2-CB 3.97Å; V835-Y1007 HydrophobicContact CG1-CE1 4.21Å; V835-Y1007 HydrophobicContact CG1-CE2 4.16Å; V835-Y1007 WeakPolarHBondContact CG1-OH 3.5Å
836	K	76.5	Confident	87.3	Confident	115 Å²	115	33.3 Å²	33.3	50%	0.5	17%	0.17	S	C	.	.	H	α-helix	trans	-79.6	-4.3	172.7	-70.3	175	-176.7	163.2	0	113.8	D832 R833 V834 F838	D832-K836 VanDerWaalsContact O-CB 3.28Å; D832-K836 WeakPolarHBondContact O-CB 3.39Å; D832-K836 WeakPolarHBondContact O-CD 3.36Å; D832-K836 VanDerWaalsContact O-CG 3.22Å; D832-K836 WeakPolarHBondContact O-CG 3.31Å; D832-K836 PolarHBondContact O-N 3.02Å; D832-K836 VanDerWaalsContact O-N 3.15Å; D832-K836 WeakPolarHBondContact OD1-CE 3.45Å; D832-K836 IonicContact OD1-NZ 2.8Å; D832-K836 PolarHBondContact OD1-NZ 3.48Å; D832-K836 IonicContact OD2-NZ 2.67Å; D832-K836 PolarHBondContact OD2-NZ 2.95Å; R833-K836 PolarHBondContact O-N 3.43Å; V834-K836 VanDerWaalsContact C-N 3.33Å; V834-K836 PolarHBondContact O-N 3.24Å; K836-F838 VanDerWaalsContact C-N 3.28Å; K836-F838 HydrophobicContact CB-CD2 3.68Å; K836-F838 HydrophobicContact CB-CE2 3.83Å; K836-F838 HydrophobicContact CB-CG 4.32Å; K836-F838 HydrophobicContact CD-CD2 4.04Å; K836-F838 HydrophobicContact CD-CE2 3.69Å; K836-F838 HydrophobicContact CG-CE2 4.39Å
837	G	73.7	Confident	87.4	Confident	28 Å²	28	32.9 Å²	32.9	29%	0.289	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	22.3	-174.2	0	0	0	0	0	113.6	R833 V834 V835	R833-G837 PolarHBondContact O-N 2.79Å; R833-G837 VanDerWaalsContact O-N 3.07Å; V834-G837 PolarHBondContact O-N 2.78Å; V835-G837 VanDerWaalsContact C-N 3.26Å; V835-G837 PolarHBondContact O-N 2.88Å
838	F	76.3	Confident	87.4	Confident	57 Å²	57	32.7 Å²	32.7	25%	0.25	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-83.8	141.3	170.9	-64.8	-44.6	0	0	0	111.1	P447 R833 K836	P447-F838 HydrophobicContact CB-CD1 3.95Å; P447-F838 HydrophobicContact CB-CE1 4.31Å; P447-F838 HydrophobicContact CG-CD1 3.85Å; P447-F838 HydrophobicContact CG-CE1 3.84Å; R833-F838 CarbonylContact C-O 3.53Å; R833-F838 HydrophobicContact CB-CB 3.99Å; R833-F838 HydrophobicContact CG-CB 4.04Å; R833-F838 PolarHBondContact O-N 2.74Å; K836-F838 VanDerWaalsContact C-N 3.28Å; K836-F838 HydrophobicContact CB-CD2 3.68Å; K836-F838 HydrophobicContact CB-CE2 3.83Å; K836-F838 HydrophobicContact CB-CG 4.32Å; K836-F838 HydrophobicContact CD-CD2 4.04Å; K836-F838 HydrophobicContact CD-CE2 3.69Å; K836-F838 HydrophobicContact CG-CE2 4.39Å
839	P	73.8	Confident	87.5	Confident	28 Å²	28	34 Å²	34	18%	0.182	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-63.4	144.5	174.6	23.1	-32.1	0	0	0	112.3	Q448 R833	Q448-P839 HydrophobicContact CB-CB 3.95Å; Q448-P839 HydrophobicContact CB-CG 3.37Å; Q448-P839 HydrophobicContact CG-CG 3.99Å; R833-P839 PolarHBondContact NH1-O 2.8Å; R833-P839 VanDerWaalsContact NH1-O 3.1Å
840	I	83.8	Confident	87.7	Confident	11 Å²	11	29.9 Å²	29.9	6%	0.056	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-79.3	133.6	175.2	-61.9	-54.2	0	0	0	109.9	I830 R833 V834 F844 L896 V899 Q900	I830-I840 HydrophobicContact CB-CD1 4.43Å; I830-I840 HydrophobicContact CG2-CD1 4.02Å; R833-I840 HydrophobicContact CB-CD1 3.76Å; V834-I840 HydrophobicContact CG2-CD1 3.71Å; V834-I840 HydrophobicContact CG2-CG1 4.1Å; I840-F844 HydrophobicContact CG2-CB 4.22Å; I840-F844 HydrophobicContact CG2-CD2 3.91Å; I840-L896 HydrophobicContact CG1-CD2 4.25Å; I840-L896 HydrophobicContact CG2-CD1 4.43Å; I840-L896 HydrophobicContact CG2-CD2 3.91Å; I840-V899 HydrophobicContact CG1-CG1 4.47Å; I840-Q900 HydrophobicContact CB-CG 4.36Å; I840-Q900 PolarHBondContact O-NE2 3.19Å
841	R	84	Confident	87.9	Confident	14 Å²	14	29.9 Å²	29.9	5%	0.053	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-83.4	150.9	175.2	-67.2	-176.3	175.3	170	3.3	112.3	N471 F472 E473 E803 R833 H843 F844	N471-R841 PolarHBondContact O-NH2 2.76Å; F472-R841 VanDerWaalsContact C-NH2 3.28Å; E473-R841 IonicContact OE2-CZ 2.79Å; E473-R841 IonicContact OE2-NH1 2.82Å; E803-R841 IonicContact OE1-NH1 2.73Å; E803-R841 IonicContact OE2-NH1 3.85Å; R833-R841 VanDerWaalsContact NH2-CZ 3.33Å; R841-H843 VanDerWaalsContact C-N 3.28Å; R841-H843 WeakPolarHBondContact CD-CE1 3.29Å; R841-H843 PolarHBondContact O-N 2.94Å; R841-F844 HydrophobicContact CB-CD2 3.94Å; R841-F844 HydrophobicContact CB-CE2 3.99Å; R841-F844 HydrophobicContact CG-CE2 4.48Å; R841-F844 WeakPolarHBondContact O-CD2 3.39Å; R841-F844 PolarHBondContact O-N 3.46Å
842	H	84.1	Confident	88	Confident	77 Å²	77	31.4 Å²	31.4	36%	0.356	16%	0.162	S	C	.	.	H	α-helix	trans	-59.5	-34.2	-179.5	-61.6	90.8	0	0	0	113.7	E256 P798 F844 A845 L846	E256-H842 IonicContact OE2-ND1 3.01Å; P798-H842 HydrophobicContact CG-CB 4.35Å; H842-F844 PolarHBondContact O-N 2.88Å; H842-A845 PolarHBondContact O-N 3.2Å; H842-L846 PolarHBondContact O-N 3.33Å
843	H	90.2	Very high	88.4	Confident	5 Å²	5	33.6 Å²	33.6	2%	0.023	17%	0.171	C	C	.	.	H	α-helix	trans	-61.8	-26.3	-179.4	69.7	-117.3	0	0	0	112.9	P798 E803 V804 R841 L846 S847	P798-H843 HydrophobicContact CB-CB 4.1Å; E803-H843 IonicContact OE2-CE1 3.69Å; E803-H843 PolarHBondContact OE2-CE1 2.83Å; E803-H843 IonicContact OE2-ND1 3.92Å; E803-H843 PolarHBondContact OE2-ND1 2.8Å; E803-H843 IonicContact OE2-NE2 3.84Å; V804-H843 HydrophobicContact CG2-CB 3.63Å; R841-H843 VanDerWaalsContact C-N 3.28Å; R841-H843 WeakPolarHBondContact CD-CE1 3.29Å; R841-H843 PolarHBondContact O-N 2.94Å; H843-L846 PolarHBondContact O-N 3.17Å; H843-S847 WeakPolarHBondContact O-CB 3.3Å; H843-S847 PolarHBondContact O-N 2.99Å; H843-S847 PolarHBondContact O-OG 3.34Å
844	F	93.2	Very high	88.8	Confident	8 Å²	8	33.1 Å²	33.1	4%	0.035	17%	0.17	C	C	.	.	H	α-helix	trans	-66	-48	177.2	-69.4	-57.8	0	0	0	111.7	A826 H829 I830 I840 R841 H842 L846 S847 L848 L896	A826-F844 HydrophobicContact CB-CD1 4.37Å; H829-F844 HydrophobicContact CB-CE1 3.49Å; H829-F844 VanDerWaalsContact CB-CE1 3.49Å; H829-F844 HydrophobicContact CB-CZ 3.52Å; I830-F844 HydrophobicContact CD1-CB 3.95Å; I830-F844 HydrophobicContact CD1-CD1 4.29Å; I830-F844 HydrophobicContact CD1-CG 4.25Å; I830-F844 HydrophobicContact CG1-CB 3.84Å; I830-F844 HydrophobicContact CG1-CD1 3.79Å; I830-F844 HydrophobicContact CG1-CD2 4.2Å; I830-F844 HydrophobicContact CG1-CE1 4.44Å; I830-F844 HydrophobicContact CG1-CG 3.67Å; I840-F844 HydrophobicContact CG2-CB 4.22Å; I840-F844 HydrophobicContact CG2-CD2 3.91Å; R841-F844 HydrophobicContact CB-CD2 3.94Å; R841-F844 HydrophobicContact CB-CE2 3.99Å; R841-F844 HydrophobicContact CG-CE2 4.48Å; R841-F844 WeakPolarHBondContact O-CD2 3.39Å; R841-F844 PolarHBondContact O-N 3.46Å; H842-F844 PolarHBondContact O-N 2.88Å; F844-L846 VanDerWaalsContact C-N 3.29Å; F844-L846 PolarHBondContact O-N 2.82Å; F844-S847 WeakPolarHBondContact O-CB 3.32Å; F844-S847 PolarHBondContact O-N 2.61Å; F844-L848 WeakPolarHBondContact O-CG 3.19Å; F844-L848 PolarHBondContact O-N 3.16Å; F844-L896 HydrophobicContact CB-CD1 4.27Å
845	A	93.2	Very high	89.3	Confident	34 Å²	34	33 Å²	33	28%	0.281	17%	0.169	S	C	.	.	H	α-helix	trans	-61.7	-41.1	176.3	0	0	0	0	0	111	H842 L848 K849 L893 L896	H842-A845 PolarHBondContact O-N 3.2Å; A845-L848 PolarHBondContact O-N 3.18Å; A845-K849 VanDerWaalsContact O-CB 3.29Å; A845-K849 WeakPolarHBondContact O-CB 3.18Å; A845-K849 PolarHBondContact O-N 2.99Å; A845-L893 HydrophobicContact CB-CD2 4.37Å; A845-L893 WeakPolarHBondContact O-CD2 3.27Å; A845-L896 HydrophobicContact CB-CD1 3.95Å
846	L	93.6	Very high	89.9	Confident	44 Å²	44	35.4 Å²	35.4	23%	0.23	18%	0.178	C	C	.	.	H	α-helix	trans	-62.5	-44.7	176	-175.8	59.7	0	0	0	112.3	S799 V804 H842 H843 F844 L848 K849 N850	S799-L846 VanDerWaalsContact CA-CD2 3.47Å; V804-L846 HydrophobicContact CG1-CD2 3.92Å; V804-L846 HydrophobicContact CG1-CG 3.99Å; V804-L846 HydrophobicContact CG2-CD2 4.06Å; H842-L846 PolarHBondContact O-N 3.33Å; H843-L846 PolarHBondContact O-N 3.17Å; F844-L846 VanDerWaalsContact C-N 3.29Å; F844-L846 PolarHBondContact O-N 2.82Å; L846-L848 PolarHBondContact O-N 2.82Å; L846-K849 PolarHBondContact O-N 3.4Å; L846-N850 WeakPolarHBondContact O-CB 3.22Å; L846-N850 PolarHBondContact O-N 2.84Å; L846-N850 PolarHBondContact O-ND2 2.95Å
847	S	96.6	Very high	90.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-57.5	-48.3	175.8	-75.8	0	0	0	0	112.5	E803 V804 I805 H843 F844 N850 A851	E803-S847 PolarHBondContact O-OG 2.95Å; V804-S847 WeakPolarHBondContact CA-OG 3.44Å; I805-S847 PolarHBondContact N-OG 3.23Å; H843-S847 WeakPolarHBondContact O-CB 3.3Å; H843-S847 PolarHBondContact O-N 2.99Å; H843-S847 PolarHBondContact O-OG 3.34Å; F844-S847 WeakPolarHBondContact O-CB 3.32Å; F844-S847 PolarHBondContact O-N 2.61Å; S847-N850 PolarHBondContact O-N 3.32Å; S847-A851 WeakPolarHBondContact O-CB 3.5Å; S847-A851 PolarHBondContact O-N 3.23Å
848	L	97.5	Very high	91.7	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-68.2	-38	179.9	-62.2	-174.8	0	0	0	111.7	R827 I830 F844 A845 L846 A851 K852 L889 D892 L893 L896	R827-L848 HydrophobicContact CG-CD2 4.48Å; I830-L848 HydrophobicContact CD1-CD1 3.86Å; I830-L848 HydrophobicContact CD1-CG 4.49Å; F844-L848 WeakPolarHBondContact O-CG 3.19Å; F844-L848 PolarHBondContact O-N 3.16Å; A845-L848 PolarHBondContact O-N 3.18Å; L846-L848 PolarHBondContact O-N 2.82Å; L848-A851 PolarHBondContact O-N 3.49Å; L848-K852 WeakPolarHBondContact O-CB 3.49Å; L848-K852 PolarHBondContact O-N 2.95Å; L848-L889 HydrophobicContact CB-CD2 4.24Å; L848-L889 HydrophobicContact CD2-CD2 3.82Å; L848-D892 HydrophobicContact CD1-CB 3.73Å; L848-L893 HydrophobicContact CB-CD2 3.92Å; L848-L893 HydrophobicContact CB-CG 4.24Å; L848-L896 HydrophobicContact CD1-CD1 4.15Å
849	K	96.7	Very high	92.6	Very high	108 Å²	108	32.1 Å²	32.1	47%	0.47	18%	0.179	S	C	.	.	H	α-helix	trans	-63	-45.1	174.5	-174.8	178.1	-178.1	177.5	0	111.8	A845 L846 A851 K852 Q853 L893	A845-K849 VanDerWaalsContact O-CB 3.29Å; A845-K849 WeakPolarHBondContact O-CB 3.18Å; A845-K849 PolarHBondContact O-N 2.99Å; L846-K849 PolarHBondContact O-N 3.4Å; K849-A851 VanDerWaalsContact C-N 3.35Å; K849-K852 PolarHBondContact O-N 3.3Å; K849-Q853 WeakPolarHBondContact O-CB 3.35Å; K849-Q853 VanDerWaalsContact O-CG 3.3Å; K849-Q853 WeakPolarHBondContact O-CG 3.49Å; K849-Q853 PolarHBondContact O-N 3.28Å; K849-L893 HydrophobicContact CB-CD1 4.49Å; K849-L893 HydrophobicContact CB-CD2 4.39Å
850	N	96.2	Very high	93.4	Very high	14 Å²	14	34.3 Å²	34.3	8%	0.075	19%	0.186	C	C	.	.	H	α-helix	trans	-63.6	-41.4	177	-73.3	-15.6	0	0	0	111.6	I805 L846 S847 Q853 S854	I805-N850 WeakPolarHBondContact O-CB 3.47Å; I805-N850 PolarHBondContact O-ND2 3.14Å; L846-N850 WeakPolarHBondContact O-CB 3.22Å; L846-N850 PolarHBondContact O-N 2.84Å; L846-N850 PolarHBondContact O-ND2 2.95Å; S847-N850 PolarHBondContact O-N 3.32Å; N850-Q853 PolarHBondContact O-N 2.82Å; N850-S854 WeakPolarHBondContact O-CB 3.36Å; N850-S854 PolarHBondContact O-N 3.2Å; N850-S854 PolarHBondContact O-OG 2.9Å
851	A	97.2	Very high	93.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.4	-44.6	175.2	0	0	0	0	0	111.9	L819 T823 S847 L848 K849 S854 L855 L889	L819-A851 HydrophobicContact CD1-CB 3.94Å; L819-A851 HydrophobicContact CD2-CB 4.47Å; L819-A851 HydrophobicContact CG-CB 4.35Å; T823-A851 HydrophobicContact CG2-CB 3.57Å; S847-A851 WeakPolarHBondContact O-CB 3.5Å; S847-A851 PolarHBondContact O-N 3.23Å; L848-A851 PolarHBondContact O-N 3.49Å; K849-A851 VanDerWaalsContact C-N 3.35Å; A851-S854 PolarHBondContact O-N 3.16Å; A851-L855 WeakPolarHBondContact O-CG 3.32Å; A851-L855 PolarHBondContact O-N 3.02Å; A851-L855 VanDerWaalsContact O-N 3.07Å; A851-L889 HydrophobicContact CB-CD1 4.28Å
852	K	97.2	Very high	93.9	Very high	31 Å²	31	43.9 Å²	43.9	14%	0.135	27%	0.268	C	S	.	.	H	α-helix	trans	-57.7	-51	175.6	-172	-169.7	-177.8	-164.9	0	110.7	L848 K849 S854 L855 E856 I886 L889 E890 L893	L848-K852 WeakPolarHBondContact O-CB 3.49Å; L848-K852 PolarHBondContact O-N 2.95Å; K849-K852 PolarHBondContact O-N 3.3Å; K852-S854 VanDerWaalsContact C-N 3.32Å; K852-S854 PolarHBondContact O-N 2.84Å; K852-L855 PolarHBondContact O-N 3.2Å; K852-L855 VanDerWaalsContact O-N 3.15Å; K852-E856 WeakPolarHBondContact CE-OE1 3.36Å; K852-E856 HydrophobicContact CG-CG 4.5Å; K852-E856 IonicContact NZ-OE1 2.8Å; K852-E856 WeakPolarHBondContact O-CG 3.42Å; K852-E856 PolarHBondContact O-N 3.14Å; K852-I886 HydrophobicContact CG-CG2 4.32Å; K852-L889 HydrophobicContact CB-CB 4.2Å; K852-L889 HydrophobicContact CB-CD1 4.1Å; K852-L889 HydrophobicContact CG-CB 4.45Å; K852-E890 IonicContact NZ-OE1 2.63Å; K852-E890 PolarHBondContact NZ-OE1 2.93Å; K852-L893 HydrophobicContact CD-CD1 4.39Å
853	Q	96	Very high	94.2	Very high	84 Å²	84	42.8 Å²	42.8	39%	0.393	27%	0.267	S	S	.	.	H	α-helix	trans	-62.2	-37	179.6	-72.4	177.1	-16.9	0	0	112.8	K849 N850 A857	K849-Q853 WeakPolarHBondContact O-CB 3.35Å; K849-Q853 VanDerWaalsContact O-CG 3.3Å; K849-Q853 WeakPolarHBondContact O-CG 3.49Å; K849-Q853 PolarHBondContact O-N 3.28Å; N850-Q853 PolarHBondContact O-N 2.82Å; Q853-A857 WeakPolarHBondContact O-CB 3.45Å; Q853-A857 PolarHBondContact O-N 2.9Å
854	S	96.2	Very high	94.2	Very high	4 Å²	4	46.3 Å²	46.3	3%	0.028	28%	0.283	C	S	.	.	H	α-helix	trans	-64.5	-38.9	174.8	-83.7	0	0	0	0	112.7	S807 V808 N850 A851 K852 A858	S807-S854 WeakPolarHBondContact CA-OG 3.31Å; V808-S854 PolarHBondContact N-OG 2.99Å; V808-S854 WeakPolarHBondContact O-CB 3.39Å; V808-S854 PolarHBondContact O-OG 3.5Å; N850-S854 WeakPolarHBondContact O-CB 3.36Å; N850-S854 PolarHBondContact O-N 3.2Å; N850-S854 PolarHBondContact O-OG 2.9Å; A851-S854 PolarHBondContact O-N 3.16Å; K852-S854 VanDerWaalsContact C-N 3.32Å; K852-S854 PolarHBondContact O-N 2.84Å; S854-A858 WeakPolarHBondContact O-CB 3.35Å; S854-A858 PolarHBondContact O-N 2.92Å
855	L	96	Very high	94	Very high	0 Å²	0	48 Å²	48	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-67.3	-50.2	174.2	-67.3	173.7	0	0	0	111.1	L810 F816 L819 M820 A851 K852 A857 A858 C859 M866 E885 I886 L889	L810-L855 HydrophobicContact CD1-CD2 3.8Å; F816-L855 HydrophobicContact CD2-CD2 3.83Å; F816-L855 HydrophobicContact CE2-CD2 3.74Å; L819-L855 HydrophobicContact CD2-CD2 4.23Å; L819-L855 HydrophobicContact CD2-CG 4.27Å; M820-L855 HydrophobicContact CE-CD1 4.04Å; M820-L855 HydrophobicContact CE-CD2 4.01Å; M820-L855 HydrophobicContact CE-CG 4.37Å; A851-L855 WeakPolarHBondContact O-CG 3.32Å; A851-L855 PolarHBondContact O-N 3.02Å; A851-L855 VanDerWaalsContact O-N 3.07Å; K852-L855 PolarHBondContact O-N 3.2Å; K852-L855 VanDerWaalsContact O-N 3.15Å; L855-A857 VanDerWaalsContact C-N 3.32Å; L855-A857 PolarHBondContact O-N 3.21Å; L855-A858 PolarHBondContact O-N 2.97Å; L855-A858 VanDerWaalsContact O-N 3.11Å; L855-C859 PolarHBondContact O-N 3.09Å; L855-C859 PolarHBondContact O-SG 2.82Å; L855-M866 HydrophobicContact CD2-CE 4.12Å; L855-M866 HydrophobicContact CD2-SD 4.3Å; L855-E885 HydrophobicContact CD1-CB 4.09Å; L855-I886 HydrophobicContact CB-CD1 4.25Å; L855-I886 HydrophobicContact CB-CG1 3.94Å; L855-I886 HydrophobicContact CD1-CG1 4.11Å; L855-L889 HydrophobicContact CD1-CD1 3.72Å
856	E	95.5	Very high	93.7	Very high	82 Å²	82	46.3 Å²	46.3	38%	0.383	28%	0.278	S	S	.	.	H	α-helix	trans	-58.7	-42.6	179.7	-71.1	172.6	153.8	0	0	112	K852 A858 C859 I886	K852-E856 WeakPolarHBondContact CE-OE1 3.36Å; K852-E856 HydrophobicContact CG-CG 4.5Å; K852-E856 IonicContact NZ-OE1 2.8Å; K852-E856 WeakPolarHBondContact O-CG 3.42Å; K852-E856 PolarHBondContact O-N 3.14Å; E856-A858 PolarHBondContact O-N 3.29Å; E856-C859 PolarHBondContact O-N 3.43Å; E856-I886 HydrophobicContact CG-CD1 4.09Å; E856-I886 HydrophobicContact CG-CG2 4.44Å
857	A	94.6	Very high	93.4	Very high	91 Å²	91	46.6 Å²	46.6	75%	0.752	28%	0.283	S	S	*	.	H	α-helix	trans	-67.7	-23.2	179.3	0	0	0	0	0	113.6	Q853 L855	Q853-A857 WeakPolarHBondContact O-CB 3.45Å; Q853-A857 PolarHBondContact O-N 2.9Å; L855-A857 VanDerWaalsContact C-N 3.32Å; L855-A857 PolarHBondContact O-N 3.21Å
858	A	93.9	Very high	92.8	Very high	21 Å²	21	46.6 Å²	46.6	17%	0.174	28%	0.283	C	S	.	.	H	α-helix	trans	-89.9	-8.9	177.8	0	0	0	0	0	113.2	L810 S854 L855 E856 M866	L810-A858 HydrophobicContact CB-CB 3.91Å; L810-A858 HydrophobicContact CD1-CB 4.17Å; L810-A858 HydrophobicContact CG-CB 4.47Å; S854-A858 WeakPolarHBondContact O-CB 3.35Å; S854-A858 PolarHBondContact O-N 2.92Å; L855-A858 PolarHBondContact O-N 2.97Å; L855-A858 VanDerWaalsContact O-N 3.11Å; E856-A858 PolarHBondContact O-N 3.29Å; A858-M866 HydrophobicContact CB-CG 3.79Å; A858-M866 HydrophobicContact CB-SD 3.51Å; A858-M866 VanDerWaalsContact CB-SD 3.51Å
859	C	94.4	Very high	91.9	Very high	19 Å²	19	47.9 Å²	47.9	13%	0.128	30%	0.296	C	S	.	.	S	Bend	trans	-79.5	152.9	179	-66.7	0	0	0	0	112.6	L855 E856 T863 I865	L855-C859 PolarHBondContact O-N 3.09Å; L855-C859 PolarHBondContact O-SG 2.82Å; E856-C859 PolarHBondContact O-N 3.43Å; C859-T863 WeakPolarHBondContact CB-O 3.46Å; C859-I865 CarbonylContact C-O 3.32Å; C859-I865 WeakPolarHBondContact CA-O 3.37Å
860	E	91.6	Very high	90.7	Very high	73 Å²	73	43.4 Å²	43.4	34%	0.341	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-62.8	139.7	170	-63.1	176.9	-178.9	0	0	109.9	G862 T863 I865 P867 R879	E860-G862 PolarHBondContact O-N 3.19Å; E860-T863 WeakPolarHBondContact CB-OG1 3.3Å; E860-T863 PolarHBondContact O-N 2.73Å; E860-T863 PolarHBondContact O-OG1 3.03Å; E860-I865 PolarHBondContact N-O 3.39Å; E860-P867 HydrophobicContact CG-CG 4.33Å; E860-R879 IonicContact OE1-NE 2.6Å
861	P	89.1	Confident	89.1	Confident	134 Å²	134	46 Å²	46	87%	0.87	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	122.5	-172.5	-27.6	34.2	0	0	0	113.7	T863	P861-T863 VanDerWaalsContact C-N 3.31Å
862	G	88.3	Confident	87.4	Confident	92 Å²	92	52.2 Å²	52.2	95%	0.948	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.2	9.2	179.4	0	0	0	0	0	114.9	E860	E860-G862 PolarHBondContact O-N 3.19Å
863	T	90.2	Very high	85.2	Confident	55 Å²	55	60.6 Å²	60.6	34%	0.337	37%	0.374	S	S	.	.	S	Bend	trans	-127.6	171.9	175.6	79.5	0	0	0	0	110.3	C859 E860 P861 I865	C859-T863 WeakPolarHBondContact CB-O 3.46Å; E860-T863 WeakPolarHBondContact CB-OG1 3.3Å; E860-T863 PolarHBondContact O-N 2.73Å; E860-T863 PolarHBondContact O-OG1 3.03Å; P861-T863 VanDerWaalsContact C-N 3.31Å; T863-I865 PolarHBondContact OG1-N 3.15Å; T863-I865 VanDerWaalsContact OG1-N 3.12Å
864	H	90.6	Very high	83.2	Confident	78 Å²	78	59.7 Å²	59.7	36%	0.361	38%	0.375	S	S	.	.			trans	-107.5	23.8	165.1	-59.1	152.4	0	0	0	112	D881 V882 S883 I886	H864-D881 WeakPolarHBondContact O-CA 3.47Å; H864-V882 WeakPolarHBondContact O-CG2 3.2Å; H864-V882 PolarHBondContact O-N 3.42Å; H864-S883 VanDerWaalsContact CB-OG 3.28Å; H864-S883 WeakPolarHBondContact CB-OG 3.34Å; H864-S883 PolarHBondContact ND1-OG 3.36Å; H864-I886 HydrophobicContact CB-CD1 4.34Å
865	I	88.7	Confident	81.2	Confident	43 Å²	43	69.2 Å²	69.2	22%	0.221	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	117.5	175.4	-55.5	-56.3	0	0	0	108.2	C859 E860 T863 R879 L880 D881	C859-I865 CarbonylContact C-O 3.32Å; C859-I865 WeakPolarHBondContact CA-O 3.37Å; E860-I865 PolarHBondContact N-O 3.39Å; T863-I865 PolarHBondContact OG1-N 3.15Å; T863-I865 VanDerWaalsContact OG1-N 3.12Å; I865-R879 HydrophobicContact CG2-CB 4.15Å; I865-R879 HydrophobicContact CG2-CG 4.42Å; I865-L880 WeakPolarHBondContact CA-O 3.4Å; I865-D881 HydrophobicContact CD1-CB 3.6Å
866	M	87.9	Confident	79.8	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	110.6	-177.7	-177.3	173.9	57	0	0	110.6	L810 F816 L855 A858 L868 L880 V882	L810-M866 HydrophobicContact CB-SD 4.37Å; L810-M866 HydrophobicContact CD1-SD 3.75Å; F816-M866 HydrophobicContact CB-CE 4.27Å; F816-M866 HydrophobicContact CD2-CE 3.37Å; F816-M866 HydrophobicContact CE2-CE 3.72Å; F816-M866 HydrophobicContact CG-CE 3.82Å; F816-M866 HydrophobicContact CZ-CE 4.44Å; L855-M866 HydrophobicContact CD2-CE 4.12Å; L855-M866 HydrophobicContact CD2-SD 4.3Å; A858-M866 HydrophobicContact CB-CG 3.79Å; A858-M866 HydrophobicContact CB-SD 3.51Å; A858-M866 VanDerWaalsContact CB-SD 3.51Å; M866-L868 HydrophobicContact CE-CD1 3.6Å; M866-L868 HydrophobicContact CE-CG 4.2Å; M866-L868 HydrophobicContact CG-CD1 4.41Å; M866-L868 HydrophobicContact CG-CD2 4.02Å; M866-L868 HydrophobicContact CG-CG 3.97Å; M866-L868 HydrophobicContact SD-CD1 4.22Å; M866-L868 HydrophobicContact SD-CD2 4.07Å; M866-L868 HydrophobicContact SD-CG 4.28Å; M866-L880 PolarHBondContact N-O 2.65Å; M866-L880 PolarHBondContact O-N 3.02Å; M866-V882 HydrophobicContact CB-CG2 4.24Å; M866-V882 HydrophobicContact CE-CG1 3.75Å
867	P	86.3	Confident	78.9	Confident	49 Å²	49	70.7 Å²	70.7	32%	0.318	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	124.8	172.7	30.3	-31.8	0	0	0	111.3	E860 V877 A878	E860-P867 HydrophobicContact CG-CG 4.33Å; P867-V877 HydrophobicContact CB-CG1 3.58Å; P867-A878 CarbonylContact C-O 3.54Å; P867-A878 WeakPolarHBondContact CA-O 3.3Å
868	L	84.4	Confident	77.9	Confident	1 Å²	1	66.8 Å²	66.8	1%	0.005	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	141.3	179.4	-64.3	175.6	0	0	0	112.4	L810 L813 F816 M866 V877 A878 L880	L810-L868 HydrophobicContact CB-CD2 4.05Å; L813-L868 HydrophobicContact CD2-CB 4.34Å; L813-L868 HydrophobicContact CD2-CD1 4.09Å; L813-L868 HydrophobicContact CG-CB 4.46Å; F816-L868 HydrophobicContact CB-CD1 3.51Å; F816-L868 HydrophobicContact CD1-CD1 4.45Å; F816-L868 HydrophobicContact CG-CD1 4.04Å; M866-L868 HydrophobicContact CE-CD1 3.6Å; M866-L868 HydrophobicContact CE-CG 4.2Å; M866-L868 HydrophobicContact CG-CD1 4.41Å; M866-L868 HydrophobicContact CG-CD2 4.02Å; M866-L868 HydrophobicContact CG-CG 3.97Å; M866-L868 HydrophobicContact SD-CD1 4.22Å; M866-L868 HydrophobicContact SD-CD2 4.07Å; M866-L868 HydrophobicContact SD-CG 4.28Å; L868-V877 CarbonylContact O-C 3.56Å; L868-V877 WeakPolarHBondContact O-CA 3.34Å; L868-A878 PolarHBondContact N-O 3.11Å; L868-A878 PolarHBondContact O-N 3.36Å; L868-L880 HydrophobicContact CD1-CD1 4.09Å
869	G	79.8	Confident	77.3	Confident	26 Å²	26	74 Å²	74	27%	0.268	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	140.7	169.6	0	0	0	0	0	112.2	K811 T812 L813 G871	K811-G869 PolarHBondContact O-N 2.89Å; T812-G869 CarbonylContact C-O 3.57Å; T812-G869 WeakPolarHBondContact CA-O 3.49Å; T812-G869 WeakPolarHBondContact CB-O 3.1Å; L813-G869 PolarHBondContact N-O 2.97Å; G869-G871 VanDerWaalsContact C-N 3.34Å; G869-G871 PolarHBondContact O-N 3.16Å
870	T	70	Confident	76.8	Confident	14 Å²	14	73.6 Å²	73.6	9%	0.086	42%	0.424	C	S	.	.			trans	-79.6	-15.5	-176.8	59.4	0	0	0	0	114	L813 G876 A878 W1060	L813-T870 HydrophobicContact CD1-CG2 4.22Å; T870-G876 VanDerWaalsContact CG2-O 3.32Å; T870-G876 WeakPolarHBondContact CG2-O 3.37Å; T870-G876 PolarHBondContact N-O 2.83Å; T870-G876 VanDerWaalsContact N-O 3.15Å; T870-G876 PolarHBondContact OG1-O 3.48Å; T870-A878 HydrophobicContact CG2-CB 4.37Å; T870-W1060 HydrophobicContact CG2-CD2 3.56Å; T870-W1060 HydrophobicContact CG2-CE3 3.88Å; T870-W1060 HydrophobicContact CG2-CG 4.13Å; T870-W1060 HydrophobicContact CG2-CH2 3.87Å; T870-W1060 HydrophobicContact CG2-CZ2 3.51Å; T870-W1060 HydrophobicContact CG2-CZ3 4.04Å
871	G	63.7	Low	76.4	Confident	69 Å²	69	71.7 Å²	71.7	71%	0.711	42%	0.416	S	S	*	.	S	Bend	trans	83	6.6	179.5	0	0	0	0	0	115.4	G869	G869-G871 VanDerWaalsContact C-N 3.34Å; G869-G871 PolarHBondContact O-N 3.16Å
872	F	61	Low	76.5	Confident	130 Å²	130	65.3 Å²	65.3	57%	0.57	38%	0.375	S	S	*	.	S	Bend	trans	-101.2	158.8	174.1	-66.8	-84.5	0	0	0	111.3	T874 W1060	F872-T874 PolarHBondContact O-N 3.16Å; F872-T874 VanDerWaalsContact O-N 3.09Å; F872-W1060 HydrophobicContact CD2-CZ2 4.41Å
873	E	52	Low	76.4	Confident	207 Å²	207	63.1 Å²	63.1	97%	0.967	35%	0.345	S	S	*	.	S	Bend	trans	-57.7	-23	-178.2	-67.7	-178	168.4	0	0	113.8
874	T	52.6	Low	76.3	Confident	65 Å²	65	61.4 Å²	61.4	40%	0.399	33%	0.334	S	S	.	.	S	Bend	trans	-87.1	113.5	171	44.8	0	0	0	0	109.6	F872 G876 Q1056	F872-T874 PolarHBondContact O-N 3.16Å; F872-T874 VanDerWaalsContact O-N 3.09Å; T874-G876 PolarHBondContact O-N 3.49Å; T874-Q1056 VanDerWaalsContact OG1-CD 3.31Å; T874-Q1056 PolarHBondContact OG1-NE2 2.9Å; T874-Q1056 PolarHBondContact OG1-OE1 3.09Å
875	E	54.3	Low	76.4	Confident	204 Å²	204	58 Å²	58	95%	0.953	32%	0.318	S	S	*	.			trans	-57.6	72.2	179.3	-67	179.7	153.7	0	0	113.6
876	G	67.1	Low	76.6	Confident	20 Å²	20	56.1 Å²	56.1	21%	0.206	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-90	133.4	168.1	0	0	0	0	0	110.9	T870 T874	T870-G876 VanDerWaalsContact CG2-O 3.32Å; T870-G876 WeakPolarHBondContact CG2-O 3.37Å; T870-G876 PolarHBondContact N-O 2.83Å; T870-G876 VanDerWaalsContact N-O 3.15Å; T870-G876 PolarHBondContact OG1-O 3.48Å; T874-G876 PolarHBondContact O-N 3.49Å
877	V	75.6	Confident	76.8	Confident	94 Å²	94	58.7 Å²	58.7	57%	0.57	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.6	117.4	167.5	-180	0	0	0	0	108.3	P867 L868	P867-V877 HydrophobicContact CB-CG1 3.58Å; L868-V877 CarbonylContact O-C 3.56Å; L868-V877 WeakPolarHBondContact O-CA 3.34Å
878	A	74.3	Confident	77.1	Confident	8 Å²	8	56.5 Å²	56.5	7%	0.066	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	133	168.3	0	0	0	0	0	108.9	L813 P867 L868 T870 W1060	L813-A878 HydrophobicContact CD1-CB 4.12Å; L813-A878 HydrophobicContact CD2-CB 4Å; L813-A878 HydrophobicContact CG-CB 4.25Å; P867-A878 CarbonylContact C-O 3.54Å; P867-A878 WeakPolarHBondContact CA-O 3.3Å; L868-A878 PolarHBondContact N-O 3.11Å; L868-A878 PolarHBondContact O-N 3.36Å; T870-A878 HydrophobicContact CG2-CB 4.37Å; A878-W1060 HydrophobicContact CB-CB 4.37Å
879	R	81	Confident	77.6	Confident	172 Å²	172	56.5 Å²	56.5	65%	0.649	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	119.1	171.8	-70.7	-171.8	174.3	105	-0.1	108.6	E860 I865	E860-R879 IonicContact OE1-NE 2.6Å; I865-R879 HydrophobicContact CG2-CB 4.15Å; I865-R879 HydrophobicContact CG2-CG 4.42Å
880	L	83.5	Confident	78.3	Confident	12 Å²	12	59.9 Å²	59.9	6%	0.063	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	131.1	178.3	-58.9	178.8	0	0	0	109	L813 F816 I865 M866 L868 V882	L813-L880 HydrophobicContact CD2-CD1 3.81Å; L813-L880 HydrophobicContact CD2-CG 4.49Å; F816-L880 HydrophobicContact CD1-CD1 3.7Å; F816-L880 HydrophobicContact CE1-CD1 3.63Å; F816-L880 HydrophobicContact CG-CD1 4.47Å; F816-L880 HydrophobicContact CZ-CD1 4.35Å; I865-L880 WeakPolarHBondContact CA-O 3.4Å; M866-L880 PolarHBondContact N-O 2.65Å; M866-L880 PolarHBondContact O-N 3.02Å; L868-L880 HydrophobicContact CD1-CD1 4.09Å; L880-V882 HydrophobicContact CB-CG1 4.26Å
881	D	84.5	Confident	79.4	Confident	33 Å²	33	59.5 Å²	59.5	18%	0.176	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	109	167.4	-174.4	-25	0	0	0	109	H864 I865 S883 C958 Y1080	H864-D881 WeakPolarHBondContact O-CA 3.47Å; I865-D881 HydrophobicContact CD1-CB 3.6Å; D881-S883 WeakPolarHBondContact OD1-CB 3.33Å; D881-S883 PolarHBondContact OD1-N 3Å; D881-S883 PolarHBondContact OD1-OG 2.91Å; D881-C958 WeakPolarHBondContact O-CB 3.49Å; D881-Y1080 HydrophobicContact CB-CE2 3.6Å; D881-Y1080 VanDerWaalsContact CB-CZ 3.43Å; D881-Y1080 WeakPolarHBondContact CB-OH 3.5Å; D881-Y1080 PolarHBondContact OD2-OH 3.43Å
882	V	90	Very high	80.9	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.276	C	S	.	.			trans	-99.8	23.9	-177.4	-66.1	0	0	0	0	113.9	F816 H864 M866 L880 D884 E885 I886	F816-V882 HydrophobicContact CE2-CG1 3.91Å; F816-V882 HydrophobicContact CZ-CG1 3.98Å; H864-V882 WeakPolarHBondContact O-CG2 3.2Å; H864-V882 PolarHBondContact O-N 3.42Å; M866-V882 HydrophobicContact CB-CG2 4.24Å; M866-V882 HydrophobicContact CE-CG1 3.75Å; L880-V882 HydrophobicContact CB-CG1 4.26Å; V882-D884 PolarHBondContact O-N 3.3Å; V882-E885 WeakPolarHBondContact CA-OE2 3.21Å; V882-E885 HydrophobicContact CB-CB 4.37Å; V882-E885 PolarHBondContact O-N 3.31Å; V882-I886 HydrophobicContact CG2-CD1 3.96Å; V882-I886 HydrophobicContact CG2-CG1 4.41Å; V882-I886 WeakPolarHBondContact O-CG1 3.43Å; V882-I886 PolarHBondContact O-N 3.32Å
883	S	88	Confident	82.4	Confident	45 Å²	45	51.7 Å²	51.7	32%	0.315	26%	0.258	S	S	.	.	H	α-helix	trans	-54.8	-38.6	178.2	-67	0	0	0	0	112.6	H864 D881 R887	H864-S883 VanDerWaalsContact CB-OG 3.28Å; H864-S883 WeakPolarHBondContact CB-OG 3.34Å; H864-S883 PolarHBondContact ND1-OG 3.36Å; D881-S883 WeakPolarHBondContact OD1-CB 3.33Å; D881-S883 PolarHBondContact OD1-N 3Å; D881-S883 PolarHBondContact OD1-OG 2.91Å; S883-R887 VanDerWaalsContact O-CB 3.22Å; S883-R887 WeakPolarHBondContact O-CB 3.42Å; S883-R887 PolarHBondContact O-N 2.65Å; S883-R887 VanDerWaalsContact O-N 3.1Å
884	D	87	Confident	84.2	Confident	20 Å²	20	42.5 Å²	42.5	11%	0.107	22%	0.216	C	C	.	.	H	α-helix	trans	-72.8	-43.9	-177.2	-165.3	56.9	0	0	0	111.6	V882 I886 R887 Q888 S955	V882-D884 PolarHBondContact O-N 3.3Å; D884-I886 PolarHBondContact O-N 3.43Å; D884-R887 PolarHBondContact O-N 3.36Å; D884-R887 IonicContact OD1-CZ 2.72Å; D884-R887 IonicContact OD1-NE 3.77Å; D884-R887 IonicContact OD1-NH2 3.37Å; D884-R887 PolarHBondContact OD1-NH2 3.49Å; D884-Q888 WeakPolarHBondContact O-CB 3.43Å; D884-Q888 WeakPolarHBondContact O-CG 3.41Å; D884-Q888 PolarHBondContact O-N 3.02Å; D884-Q888 PolarHBondContact OD2-NE2 3.43Å; D884-S955 WeakPolarHBondContact OD1-CB 3.48Å
885	E	92.3	Very high	86	Confident	5 Å²	5	39.6 Å²	39.6	2%	0.023	20%	0.198	C	C	.	.	H	α-helix	trans	-61.9	-45.1	178.7	-67.2	74.9	-173.7	0	0	110.9	M820 L855 V882 Q888 L889 A957 C958 S962	M820-E885 HydrophobicContact SD-CG 4.16Å; L855-E885 HydrophobicContact CD1-CB 4.09Å; V882-E885 WeakPolarHBondContact CA-OE2 3.21Å; V882-E885 HydrophobicContact CB-CB 4.37Å; V882-E885 PolarHBondContact O-N 3.31Å; E885-Q888 PolarHBondContact O-N 3.49Å; E885-L889 VanDerWaalsContact O-CG 3.32Å; E885-L889 WeakPolarHBondContact O-CG 3.09Å; E885-L889 PolarHBondContact O-N 2.91Å; E885-A957 WeakPolarHBondContact OE1-CB 3.38Å; E885-C958 PolarHBondContact OE1-N 3.41Å; E885-C958 PolarHBondContact OE1-SG 3.07Å; E885-S962 PolarHBondContact OE1-OG 3.4Å
886	I	94.2	Very high	87.7	Confident	5 Å²	5	30 Å²	30	3%	0.026	15%	0.153	C	C	.	.	H	α-helix	trans	-62.2	-47.5	175.9	-68.8	171.7	0	0	0	110.6	K852 L855 E856 H864 V882 D884 Q888 L889 E890	K852-I886 HydrophobicContact CG-CG2 4.32Å; L855-I886 HydrophobicContact CB-CD1 4.25Å; L855-I886 HydrophobicContact CB-CG1 3.94Å; L855-I886 HydrophobicContact CD1-CG1 4.11Å; E856-I886 HydrophobicContact CG-CD1 4.09Å; E856-I886 HydrophobicContact CG-CG2 4.44Å; H864-I886 HydrophobicContact CB-CD1 4.34Å; V882-I886 HydrophobicContact CG2-CD1 3.96Å; V882-I886 HydrophobicContact CG2-CG1 4.41Å; V882-I886 WeakPolarHBondContact O-CG1 3.43Å; V882-I886 PolarHBondContact O-N 3.32Å; D884-I886 PolarHBondContact O-N 3.43Å; I886-Q888 PolarHBondContact O-N 3.27Å; I886-L889 PolarHBondContact O-N 2.86Å; I886-E890 PolarHBondContact O-N 3.37Å
887	R	91	Very high	88.5	Confident	53 Å²	53	35 Å²	35	20%	0.2	17%	0.171	C	C	.	.	H	α-helix	trans	-62.2	-42.1	179.1	-176.3	-176.9	65.4	84.6	-4.7	112.1	S883 D884 L889 E890 L891 S955	S883-R887 VanDerWaalsContact O-CB 3.22Å; S883-R887 WeakPolarHBondContact O-CB 3.42Å; S883-R887 PolarHBondContact O-N 2.65Å; S883-R887 VanDerWaalsContact O-N 3.1Å; D884-R887 PolarHBondContact O-N 3.36Å; D884-R887 IonicContact OD1-CZ 2.72Å; D884-R887 IonicContact OD1-NE 3.77Å; D884-R887 IonicContact OD1-NH2 3.37Å; D884-R887 PolarHBondContact OD1-NH2 3.49Å; R887-L889 VanDerWaalsContact C-N 3.34Å; R887-L889 PolarHBondContact O-N 3.33Å; R887-E890 PolarHBondContact O-N 2.9Å; R887-L891 WeakPolarHBondContact O-CG 3.3Å; R887-L891 PolarHBondContact O-N 3.38Å; R887-S955 PolarHBondContact NH2-OG 3.12Å
888	Q	92.9	Very high	88.8	Confident	3 Å²	3	31 Å²	31	1%	0.014	15%	0.147	C	C	.	.	H	α-helix	trans	-63.2	-39.7	176.5	-74	176.6	20	0	0	112	D884 E885 I886 E890 L891 D892 I964 P966	D884-Q888 WeakPolarHBondContact O-CB 3.43Å; D884-Q888 WeakPolarHBondContact O-CG 3.41Å; D884-Q888 PolarHBondContact O-N 3.02Å; D884-Q888 PolarHBondContact OD2-NE2 3.43Å; E885-Q888 PolarHBondContact O-N 3.49Å; I886-Q888 PolarHBondContact O-N 3.27Å; Q888-E890 VanDerWaalsContact C-N 3.34Å; Q888-L891 PolarHBondContact O-N 2.96Å; Q888-D892 WeakPolarHBondContact O-CB 3.42Å; Q888-D892 PolarHBondContact O-N 2.99Å; Q888-I964 PolarHBondContact OE1-O 3.32Å; Q888-P966 HydrophobicContact CB-CG 4.04Å; Q888-P966 HydrophobicContact CG-CG 3.67Å
889	L	95.6	Very high	88.9	Confident	2 Å²	2	32.1 Å²	32.1	1%	0.01	15%	0.152	C	C	.	.	H	α-helix	trans	-65.4	-38.7	175.9	-72.4	166.9	0	0	0	111.7	T823 L848 A851 K852 L855 E885 I886 R887 D892 L893	T823-L889 HydrophobicContact CG2-CD2 4.26Å; L848-L889 HydrophobicContact CB-CD2 4.24Å; L848-L889 HydrophobicContact CD2-CD2 3.82Å; A851-L889 HydrophobicContact CB-CD1 4.28Å; K852-L889 HydrophobicContact CB-CB 4.2Å; K852-L889 HydrophobicContact CB-CD1 4.1Å; K852-L889 HydrophobicContact CG-CB 4.45Å; L855-L889 HydrophobicContact CD1-CD1 3.72Å; E885-L889 VanDerWaalsContact O-CG 3.32Å; E885-L889 WeakPolarHBondContact O-CG 3.09Å; E885-L889 PolarHBondContact O-N 2.91Å; I886-L889 PolarHBondContact O-N 2.86Å; R887-L889 VanDerWaalsContact C-N 3.34Å; R887-L889 PolarHBondContact O-N 3.33Å; L889-D892 PolarHBondContact O-N 2.89Å; L889-L893 VanDerWaalsContact O-CG 3.27Å; L889-L893 WeakPolarHBondContact O-CG 3.49Å; L889-L893 PolarHBondContact O-N 3.11Å
890	E	94.3	Very high	88.5	Confident	96 Å²	96	28.3 Å²	28.3	45%	0.449	14%	0.142	S	C	.	.	H	α-helix	trans	-64.7	-41.9	174.9	-179.2	159.4	-112	0	0	112.9	K852 I886 R887 Q888 L893 S894	K852-E890 IonicContact NZ-OE1 2.63Å; K852-E890 PolarHBondContact NZ-OE1 2.93Å; I886-E890 PolarHBondContact O-N 3.37Å; R887-E890 PolarHBondContact O-N 2.9Å; Q888-E890 VanDerWaalsContact C-N 3.34Å; E890-L893 PolarHBondContact O-N 2.97Å; E890-S894 PolarHBondContact O-N 3.42Å; E890-S894 PolarHBondContact O-OG 3.43Å
891	L	92.6	Very high	87.9	Confident	6 Å²	6	29.4 Å²	29.4	3%	0.031	15%	0.151	C	C	.	.	H	α-helix	trans	-66.8	-39.1	174	-70.5	178.1	0	0	0	112.2	R887 Q888 S894 F895 L914 Y968 L1220	R887-L891 WeakPolarHBondContact O-CG 3.3Å; R887-L891 PolarHBondContact O-N 3.38Å; Q888-L891 PolarHBondContact O-N 2.96Å; L891-S894 PolarHBondContact O-N 3.2Å; L891-F895 VanDerWaalsContact O-CB 3.26Å; L891-F895 WeakPolarHBondContact O-CB 3.47Å; L891-F895 PolarHBondContact O-N 3.45Å; L891-L914 HydrophobicContact CD1-CD2 4.11Å; L891-L914 HydrophobicContact CD2-CD2 4.04Å; L891-Y968 HydrophobicContact CB-CD1 3.97Å; L891-Y968 HydrophobicContact CB-CE1 3.76Å; L891-Y968 HydrophobicContact CD1-CE1 4.08Å; L891-L1220 HydrophobicContact CD1-CD1 4.41Å; L891-L1220 HydrophobicContact CD1-CD2 4.23Å
892	D	95	Very high	87	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63.4	-41.2	173.9	-79.7	-31.5	0	0	0	111.7	R827 L848 Q888 L889 F895 L896 A967 Y968	R827-D892 IonicContact CZ-OD2 3.68Å; R827-D892 IonicContact NE-OD2 3.62Å; R827-D892 PolarHBondContact NE-OD2 3.37Å; R827-D892 IonicContact NH2-OD2 3.82Å; R827-D892 PolarHBondContact NH2-OD2 2.95Å; L848-D892 HydrophobicContact CD1-CB 3.73Å; Q888-D892 WeakPolarHBondContact O-CB 3.42Å; Q888-D892 PolarHBondContact O-N 2.99Å; L889-D892 PolarHBondContact O-N 2.89Å; D892-F895 WeakPolarHBondContact O-CB 3.29Å; D892-F895 PolarHBondContact O-N 2.89Å; D892-L896 WeakPolarHBondContact O-CG 3.36Å; D892-L896 PolarHBondContact O-N 3.46Å; D892-A967 WeakPolarHBondContact OD1-CA 3.41Å; D892-A967 WeakPolarHBondContact OD1-CB 3.22Å; D892-A967 PolarHBondContact OD1-N 3.03Å; D892-Y968 WeakPolarHBondContact OD1-CD1 3.3Å; D892-Y968 PolarHBondContact OD1-N 3.05Å; D892-Y968 VanDerWaalsContact OD1-N 3.1Å
893	L	93.8	Very high	85.7	Confident	35 Å²	35	41.6 Å²	41.6	18%	0.183	21%	0.206	C	C	.	.	H	α-helix	trans	-61.5	-46.1	175.9	-74.1	167.6	0	0	0	111.3	A845 L848 K849 K852 L889 E890 F895 L896 E897	A845-L893 HydrophobicContact CB-CD2 4.37Å; A845-L893 WeakPolarHBondContact O-CD2 3.27Å; L848-L893 HydrophobicContact CB-CD2 3.92Å; L848-L893 HydrophobicContact CB-CG 4.24Å; K849-L893 HydrophobicContact CB-CD1 4.49Å; K849-L893 HydrophobicContact CB-CD2 4.39Å; K852-L893 HydrophobicContact CD-CD1 4.39Å; L889-L893 VanDerWaalsContact O-CG 3.27Å; L889-L893 WeakPolarHBondContact O-CG 3.49Å; L889-L893 PolarHBondContact O-N 3.11Å; E890-L893 PolarHBondContact O-N 2.97Å; L893-F895 VanDerWaalsContact C-N 3.27Å; L893-F895 PolarHBondContact O-N 2.81Å; L893-L896 PolarHBondContact O-N 2.81Å; L893-E897 PolarHBondContact O-N 3.4Å
894	S	89.5	Confident	84.3	Confident	15 Å²	15	47.9 Å²	47.9	11%	0.105	22%	0.224	C	C	.	.	H	α-helix	trans	-63	-35.8	175.2	-51.3	0	0	0	0	111.7	E890 L891 E897 F898	E890-S894 PolarHBondContact O-N 3.42Å; E890-S894 PolarHBondContact O-OG 3.43Å; L891-S894 PolarHBondContact O-N 3.2Å; S894-E897 PolarHBondContact O-N 3.41Å; S894-F898 WeakPolarHBondContact O-CB 3.45Å; S894-F898 PolarHBondContact O-N 3.44Å
895	F	90.1	Very high	82.9	Confident	3 Å²	3	52.1 Å²	52.1	1%	0.013	25%	0.247	C	C	.	.	H	α-helix	trans	-65.6	-39.4	174.5	173.4	-105.3	0	0	0	112.3	I830 V834 L891 D892 L893 E897 F898 V899 F910 Y968 V971	I830-F895 HydrophobicContact CG2-CE1 4.49Å; V834-F895 HydrophobicContact CG1-CZ 4.43Å; V834-F895 HydrophobicContact CG2-CE1 4.29Å; V834-F895 HydrophobicContact CG2-CZ 4.48Å; L891-F895 VanDerWaalsContact O-CB 3.26Å; L891-F895 WeakPolarHBondContact O-CB 3.47Å; L891-F895 PolarHBondContact O-N 3.45Å; D892-F895 WeakPolarHBondContact O-CB 3.29Å; D892-F895 PolarHBondContact O-N 2.89Å; L893-F895 VanDerWaalsContact C-N 3.27Å; L893-F895 PolarHBondContact O-N 2.81Å; F895-E897 VanDerWaalsContact C-N 3.34Å; F895-F898 AromaticContact CD2-CD1 3.64Å; F895-F898 HydrophobicContact CD2-CD1 3.64Å; F895-F898 HydrophobicContact CD2-CE1 4.12Å; F895-F898 AromaticContact CE2-CD1 3.8Å; F895-F898 HydrophobicContact CE2-CD1 3.8Å; F895-F898 AromaticContact CE2-CE1 3.85Å; F895-F898 HydrophobicContact CE2-CE1 3.85Å; F895-F898 WeakPolarHBondContact O-CB 3.44Å; F895-F898 PolarHBondContact O-N 3.45Å; F895-V899 HydrophobicContact CD1-CG2 4.18Å; F895-V899 HydrophobicContact CD2-CG2 4.02Å; F895-V899 HydrophobicContact CE1-CG2 3.66Å; F895-V899 HydrophobicContact CE2-CG2 3.47Å; F895-V899 VanDerWaalsContact CE2-CG2 3.47Å; F895-V899 HydrophobicContact CG-CG2 4.34Å; F895-V899 HydrophobicContact CZ-CG2 3.26Å; F895-V899 WeakPolarHBondContact O-CG2 3.44Å; F895-V899 PolarHBondContact O-N 3.01Å; F895-F910 HydrophobicContact CB-CD2 4.28Å; F895-F910 HydrophobicContact CB-CE2 3.62Å; F895-F910 HydrophobicContact CB-CZ 4.15Å; F895-F910 HydrophobicContact CD2-CD2 4.41Å; F895-F910 HydrophobicContact CD2-CE1 4.42Å; F895-F910 HydrophobicContact CD2-CE2 4.09Å; F895-F910 HydrophobicContact CD2-CZ 4.11Å; F895-F910 HydrophobicContact CG-CE2 4.36Å; F895-Y968 VanDerWaalsContact CG-CB 3.47Å; F895-V971 HydrophobicContact CE1-CG2 4.11Å; F895-V971 HydrophobicContact CE2-CB 4.43Å; F895-V971 HydrophobicContact CE2-CG1 4.46Å; F895-V971 HydrophobicContact CZ-CB 3.75Å; F895-V971 HydrophobicContact CZ-CG1 3.95Å; F895-V971 HydrophobicContact CZ-CG2 3.74Å
896	L	89.3	Confident	81.6	Confident	2 Å²	2	52 Å²	52	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-63.5	-41.4	176.6	-68.7	-171.8	0	0	0	111.7	I830 I840 F844 A845 L848 D892 L893 F898 V899 Q900	I830-L896 HydrophobicContact CD1-CD1 4.24Å; I830-L896 HydrophobicContact CD1-CD2 4.17Å; I830-L896 HydrophobicContact CG1-CD2 4.29Å; I830-L896 HydrophobicContact CG2-CD2 3.6Å; I840-L896 HydrophobicContact CG1-CD2 4.25Å; I840-L896 HydrophobicContact CG2-CD1 4.43Å; I840-L896 HydrophobicContact CG2-CD2 3.91Å; F844-L896 HydrophobicContact CB-CD1 4.27Å; A845-L896 HydrophobicContact CB-CD1 3.95Å; L848-L896 HydrophobicContact CD1-CD1 4.15Å; D892-L896 WeakPolarHBondContact O-CG 3.36Å; D892-L896 PolarHBondContact O-N 3.46Å; L893-L896 PolarHBondContact O-N 2.81Å; L896-F898 VanDerWaalsContact C-N 3.32Å; L896-F898 PolarHBondContact O-N 3.25Å; L896-V899 PolarHBondContact O-N 2.69Å; L896-Q900 WeakPolarHBondContact O-CB 3.37Å; L896-Q900 VanDerWaalsContact O-CG 3.32Å; L896-Q900 WeakPolarHBondContact O-CG 3.33Å; L896-Q900 PolarHBondContact O-N 3.49Å
897	E	83.9	Confident	80.5	Confident	126 Å²	126	52.2 Å²	52.2	59%	0.589	25%	0.248	S	C	*	.	H	α-helix	trans	-60.6	-42.8	172.6	-66.1	177.5	-179.7	0	0	111.2	L893 S894 F895 Q900 S901	L893-E897 PolarHBondContact O-N 3.4Å; S894-E897 PolarHBondContact O-N 3.41Å; F895-E897 VanDerWaalsContact C-N 3.34Å; E897-Q900 PolarHBondContact O-N 3.18Å; E897-S901 PolarHBondContact O-N 3.01Å; E897-S901 VanDerWaalsContact O-N 3.16Å
898	F	81.5	Confident	79.6	Confident	11 Å²	11	54.2 Å²	54.2	5%	0.048	26%	0.26	C	S	.	.	H	α-helix	trans	-60.7	-49.6	175.9	154.8	-98.7	0	0	0	113.2	L328 S894 F895 L896 Q900 S901 N906 L907 F910	L328-F898 HydrophobicContact CD1-CE1 3.74Å; L328-F898 HydrophobicContact CD1-CZ 3.56Å; L328-F898 HydrophobicContact CG-CZ 4.3Å; S894-F898 WeakPolarHBondContact O-CB 3.45Å; S894-F898 PolarHBondContact O-N 3.44Å; F895-F898 AromaticContact CD2-CD1 3.64Å; F895-F898 HydrophobicContact CD2-CD1 3.64Å; F895-F898 HydrophobicContact CD2-CE1 4.12Å; F895-F898 AromaticContact CE2-CD1 3.8Å; F895-F898 HydrophobicContact CE2-CD1 3.8Å; F895-F898 AromaticContact CE2-CE1 3.85Å; F895-F898 HydrophobicContact CE2-CE1 3.85Å; F895-F898 WeakPolarHBondContact O-CB 3.44Å; F895-F898 PolarHBondContact O-N 3.45Å; L896-F898 VanDerWaalsContact C-N 3.32Å; L896-F898 PolarHBondContact O-N 3.25Å; F898-Q900 PolarHBondContact O-N 3.17Å; F898-S901 WeakPolarHBondContact O-CB 3.3Å; F898-S901 PolarHBondContact O-N 3.35Å; F898-S901 VanDerWaalsContact O-N 3.14Å; F898-N906 VanDerWaalsContact CD2-C 3.45Å; F898-N906 HydrophobicContact CD2-CB 3.54Å; F898-N906 WeakPolarHBondContact CD2-O 3.47Å; F898-N906 HydrophobicContact CE2-CB 3.45Å; F898-N906 VanDerWaalsContact CE2-CB 3.45Å; F898-N906 WeakPolarHBondContact CE2-ND2 3.41Å; F898-N906 VanDerWaalsContact CE2-O 3.26Å; F898-N906 WeakPolarHBondContact CE2-O 3.49Å; F898-N906 WeakPolarHBondContact CE2-OD1 3.46Å; F898-L907 HydrophobicContact CE2-CB 4.36Å; F898-F910 HydrophobicContact CB-CB 4.29Å; F898-F910 HydrophobicContact CB-CD2 4.35Å; F898-F910 HydrophobicContact CD1-CB 4.35Å; F898-F910 HydrophobicContact CD1-CG 4.38Å; F898-F910 HydrophobicContact CD2-CB 3.78Å; F898-F910 HydrophobicContact CE2-CB 4.21Å; F898-F910 HydrophobicContact CG-CB 3.86Å; F898-F910 HydrophobicContact CG-CD2 4.45Å; F898-F910 HydrophobicContact CG-CG 4.27Å
899	V	77.9	Confident	78.6	Confident	31 Å²	31	57.9 Å²	57.9	19%	0.188	28%	0.277	C	S	.	.	H	α-helix	trans	-66.7	-28.4	-177.3	173.9	0	0	0	0	111.7	V834 I840 F895 L896	V834-V899 HydrophobicContact CG1-CG1 4.08Å; V834-V899 HydrophobicContact CG1-CG2 4.29Å; V834-V899 HydrophobicContact CG2-CG1 3.91Å; V834-V899 HydrophobicContact CG2-CG2 4.34Å; I840-V899 HydrophobicContact CG1-CG1 4.47Å; F895-V899 HydrophobicContact CD1-CG2 4.18Å; F895-V899 HydrophobicContact CD2-CG2 4.02Å; F895-V899 HydrophobicContact CE1-CG2 3.66Å; F895-V899 HydrophobicContact CE2-CG2 3.47Å; F895-V899 VanDerWaalsContact CE2-CG2 3.47Å; F895-V899 HydrophobicContact CG-CG2 4.34Å; F895-V899 HydrophobicContact CZ-CG2 3.26Å; F895-V899 WeakPolarHBondContact O-CG2 3.44Å; F895-V899 PolarHBondContact O-N 3.01Å; L896-V899 PolarHBondContact O-N 2.69Å
900	Q	72.7	Confident	77.9	Confident	91 Å²	91	57.9 Å²	57.9	43%	0.425	28%	0.277	S	S	.	.	H	α-helix	trans	-85	-10.9	177.6	-68.3	178.1	-37.4	0	0	113.3	I840 L896 E897 F898	I840-Q900 HydrophobicContact CB-CG 4.36Å; I840-Q900 PolarHBondContact O-NE2 3.19Å; L896-Q900 WeakPolarHBondContact O-CB 3.37Å; L896-Q900 VanDerWaalsContact O-CG 3.32Å; L896-Q900 WeakPolarHBondContact O-CG 3.33Å; L896-Q900 PolarHBondContact O-N 3.49Å; E897-Q900 PolarHBondContact O-N 3.18Å; F898-Q900 PolarHBondContact O-N 3.17Å
901	S	70.7	Confident	77.3	Confident	36 Å²	36	53.5 Å²	53.5	25%	0.252	26%	0.256	S	S	.	.			trans	-70.4	135.2	179.1	-177.8	0	0	0	0	112.1	E897 F898 E903	E897-S901 PolarHBondContact O-N 3.01Å; E897-S901 VanDerWaalsContact O-N 3.16Å; F898-S901 WeakPolarHBondContact O-CB 3.3Å; F898-S901 PolarHBondContact O-N 3.35Å; F898-S901 VanDerWaalsContact O-N 3.14Å; S901-E903 WeakPolarHBondContact OG-CB 3.49Å; S901-E903 WeakPolarHBondContact OG-CG 3.19Å; S901-E903 PolarHBondContact OG-N 3.22Å
902	E	65.6	Low	76.8	Confident	179 Å²	179	59.7 Å²	59.7	84%	0.836	28%	0.279	S	S	*	.			trans	-82	-0.3	172.4	-62.3	-173	168.8	0	0	112.7
903	E	62.2	Low	76.3	Confident	109 Å²	109	64 Å²	64	51%	0.509	30%	0.296	S	S	.	.			trans	-75.8	139.6	-176.5	-63.3	-173.3	178.4	0	0	113	S901 N906 Q909	S901-E903 WeakPolarHBondContact OG-CB 3.49Å; S901-E903 WeakPolarHBondContact OG-CG 3.19Å; S901-E903 PolarHBondContact OG-N 3.22Å; E903-N906 WeakPolarHBondContact O-CB 3.47Å; E903-Q909 PolarHBondContact OE2-NE2 3.01Å
904	Y	58.6	Low	75.9	Confident	177 Å²	177	62.3 Å²	62.3	69%	0.694	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-29.9	-176.2	-152.8	-92.4	0	0	0	113.2	N906	Y904-N906 VanDerWaalsContact C-N 3.3Å; Y904-N906 PolarHBondContact O-N 2.92Å
905	D	57.5	Low	75.7	Confident	110 Å²	110	61.6 Å²	61.6	59%	0.588	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	18.1	-178.7	-62.9	-26	0	0	0	113	L907 E908	D905-L907 PolarHBondContact O-N 3.34Å; D905-L907 VanDerWaalsContact O-N 3.12Å; D905-E908 PolarHBondContact O-N 2.9Å; D905-E908 VanDerWaalsContact O-N 3.17Å
906	N	65.9	Low	75.3	Confident	3 Å²	3	67.9 Å²	67.9	2%	0.016	31%	0.313	C	S	.	.	H	α-helix	trans	-55.1	-35.3	-172.7	64.1	-3.6	0	0	0	113.3	S327 F898 E903 Y904 E908 Q909 F910	S327-N906 PolarHBondContact OG-OD1 3.32Å; F898-N906 VanDerWaalsContact CD2-C 3.45Å; F898-N906 HydrophobicContact CD2-CB 3.54Å; F898-N906 WeakPolarHBondContact CD2-O 3.47Å; F898-N906 HydrophobicContact CE2-CB 3.45Å; F898-N906 VanDerWaalsContact CE2-CB 3.45Å; F898-N906 WeakPolarHBondContact CE2-ND2 3.41Å; F898-N906 VanDerWaalsContact CE2-O 3.26Å; F898-N906 WeakPolarHBondContact CE2-O 3.49Å; F898-N906 WeakPolarHBondContact CE2-OD1 3.46Å; E903-N906 WeakPolarHBondContact O-CB 3.47Å; Y904-N906 VanDerWaalsContact C-N 3.3Å; Y904-N906 PolarHBondContact O-N 2.92Å; N906-E908 VanDerWaalsContact C-N 3.34Å; N906-E908 PolarHBondContact O-N 3.3Å; N906-Q909 WeakPolarHBondContact O-CB 3.41Å; N906-Q909 PolarHBondContact O-N 3.29Å; N906-Q909 VanDerWaalsContact O-N 3.15Å; N906-F910 PolarHBondContact O-N 2.91Å
907	L	71	Confident	74.5	Confident	9 Å²	9	70.4 Å²	70.4	5%	0.047	33%	0.331	C	S	.	.	H	α-helix	trans	-66.7	-38.4	-176.2	175.7	59.3	0	0	0	111.3	L328 F898 D905 Q909 F910 L911 A1227 I1231	L328-L907 HydrophobicContact CD2-CD1 4.29Å; L328-L907 HydrophobicContact CD2-CD2 4.12Å; F898-L907 HydrophobicContact CE2-CB 4.36Å; D905-L907 PolarHBondContact O-N 3.34Å; D905-L907 VanDerWaalsContact O-N 3.12Å; L907-Q909 PolarHBondContact O-N 2.88Å; L907-F910 PolarHBondContact O-N 3.41Å; L907-L911 HydrophobicContact CD1-CG 4.14Å; L907-L911 HydrophobicContact CG-CD1 4.33Å; L907-L911 HydrophobicContact CG-CG 4.37Å; L907-L911 WeakPolarHBondContact O-CG 3.01Å; L907-L911 PolarHBondContact O-N 3.41Å; L907-A1227 HydrophobicContact CD1-CB 4.04Å; L907-I1231 HydrophobicContact CD2-CD1 3.35Å; L907-I1231 HydrophobicContact CD2-CG1 3.7Å
908	E	70.8	Confident	74.5	Confident	95 Å²	95	64.9 Å²	64.9	44%	0.444	31%	0.305	S	S	.	.	H	α-helix	trans	-62.9	-37.4	176.2	-164.4	-173	146.2	0	0	110.6	D905 N906 L911 R912	D905-E908 PolarHBondContact O-N 2.9Å; D905-E908 VanDerWaalsContact O-N 3.17Å; N906-E908 VanDerWaalsContact C-N 3.34Å; N906-E908 PolarHBondContact O-N 3.3Å; E908-L911 PolarHBondContact O-N 2.98Å; E908-R912 VanDerWaalsContact O-CG 3.24Å; E908-R912 WeakPolarHBondContact O-CG 3.46Å; E908-R912 PolarHBondContact O-N 2.7Å; E908-R912 IonicContact OE1-CZ 3.92Å; E908-R912 IonicContact OE1-NE 3.47Å; E908-R912 PolarHBondContact OE1-NE 2.97Å; E908-R912 IonicContact OE1-NH2 3.72Å; E908-R912 PolarHBondContact OE1-NH2 3.32Å
909	Q	71.9	Confident	74	Confident	79 Å²	79	68.4 Å²	68.4	37%	0.369	33%	0.329	S	S	.	.	H	α-helix	trans	-63.9	-44.1	174.8	-59.7	178.7	1.5	0	0	111.8	E903 N906 L907 R912 Y913	E903-Q909 PolarHBondContact OE2-NE2 3.01Å; N906-Q909 WeakPolarHBondContact O-CB 3.41Å; N906-Q909 PolarHBondContact O-N 3.29Å; N906-Q909 VanDerWaalsContact O-N 3.15Å; L907-Q909 PolarHBondContact O-N 2.88Å; Q909-R912 WeakPolarHBondContact O-CB 3.37Å; Q909-R912 PolarHBondContact O-N 3.17Å; Q909-Y913 VanDerWaalsContact O-CD2 3.28Å; Q909-Y913 WeakPolarHBondContact O-CD2 3.49Å; Q909-Y913 PolarHBondContact O-N 3.37Å
910	F	80.3	Confident	74.1	Confident	2 Å²	2	71.4 Å²	71.4	1%	0.009	34%	0.341	C	S	.	.	H	α-helix	trans	-65.4	-41.6	176.5	-175.6	-108.8	0	0	0	112.3	F895 F898 N906 L907 R912 Y913 L914 Y968 I972	F895-F910 HydrophobicContact CB-CD2 4.28Å; F895-F910 HydrophobicContact CB-CE2 3.62Å; F895-F910 HydrophobicContact CB-CZ 4.15Å; F895-F910 HydrophobicContact CD2-CD2 4.41Å; F895-F910 HydrophobicContact CD2-CE1 4.42Å; F895-F910 HydrophobicContact CD2-CE2 4.09Å; F895-F910 HydrophobicContact CD2-CZ 4.11Å; F895-F910 HydrophobicContact CG-CE2 4.36Å; F898-F910 HydrophobicContact CB-CB 4.29Å; F898-F910 HydrophobicContact CB-CD2 4.35Å; F898-F910 HydrophobicContact CD1-CB 4.35Å; F898-F910 HydrophobicContact CD1-CG 4.38Å; F898-F910 HydrophobicContact CD2-CB 3.78Å; F898-F910 HydrophobicContact CE2-CB 4.21Å; F898-F910 HydrophobicContact CG-CB 3.86Å; F898-F910 HydrophobicContact CG-CD2 4.45Å; F898-F910 HydrophobicContact CG-CG 4.27Å; N906-F910 PolarHBondContact O-N 2.91Å; L907-F910 PolarHBondContact O-N 3.41Å; F910-R912 VanDerWaalsContact C-N 3.26Å; F910-R912 PolarHBondContact O-N 2.82Å; F910-Y913 WeakPolarHBondContact O-CB 3.34Å; F910-Y913 PolarHBondContact O-N 3.33Å; F910-L914 HydrophobicContact CD1-CD1 4.42Å; F910-L914 HydrophobicContact CD1-CG 4.43Å; F910-L914 HydrophobicContact CE1-CD1 3.92Å; F910-L914 HydrophobicContact CE1-CD2 4.03Å; F910-L914 HydrophobicContact CE1-CG 3.99Å; F910-L914 HydrophobicContact CZ-CD2 3.81Å; F910-L914 HydrophobicContact CZ-CG 4.22Å; F910-L914 PolarHBondContact O-N 2.76Å; F910-Y968 HydrophobicContact CE1-CD2 4.05Å; F910-Y968 HydrophobicContact CE1-CG 4.47Å; F910-Y968 AromaticContact CZ-CD2 3.66Å; F910-Y968 HydrophobicContact CZ-CD2 3.66Å; F910-Y968 AromaticContact CZ-CG 3.73Å; F910-Y968 HydrophobicContact CZ-CG 3.73Å; F910-I972 HydrophobicContact CE1-CD1 4.07Å
911	L	83.6	Confident	74.5	Confident	5 Å²	5	68.5 Å²	68.5	3%	0.026	34%	0.336	C	S	.	.	H	α-helix	trans	-61.8	-34.8	174	-68.8	-179.7	0	0	0	111.9	L907 E908 Y913 L914 A915 F926	L907-L911 HydrophobicContact CD1-CG 4.14Å; L907-L911 HydrophobicContact CG-CD1 4.33Å; L907-L911 HydrophobicContact CG-CG 4.37Å; L907-L911 WeakPolarHBondContact O-CG 3.01Å; L907-L911 PolarHBondContact O-N 3.41Å; E908-L911 PolarHBondContact O-N 2.98Å; L911-Y913 VanDerWaalsContact C-N 3.32Å; L911-Y913 PolarHBondContact O-N 2.74Å; L911-L914 HydrophobicContact CD2-CD1 4.08Å; L911-L914 WeakPolarHBondContact O-CB 3.47Å; L911-L914 PolarHBondContact O-N 3.37Å; L911-A915 VanDerWaalsContact O-CB 3.32Å; L911-A915 WeakPolarHBondContact O-CB 3.4Å; L911-A915 PolarHBondContact O-N 2.73Å; L911-F926 HydrophobicContact CB-CE1 3.88Å; L911-F926 HydrophobicContact CB-CZ 4.36Å
912	R	82.1	Confident	75.4	Confident	135 Å²	135	69.3 Å²	69.3	51%	0.509	34%	0.341	S	S	.	.	H	α-helix	trans	-62.1	-38.3	172.3	-72.9	170.4	-175.7	-145	4.7	111.9	E908 Q909 F910 A915 M916 F926	E908-R912 VanDerWaalsContact O-CG 3.24Å; E908-R912 WeakPolarHBondContact O-CG 3.46Å; E908-R912 PolarHBondContact O-N 2.7Å; E908-R912 IonicContact OE1-CZ 3.92Å; E908-R912 IonicContact OE1-NE 3.47Å; E908-R912 PolarHBondContact OE1-NE 2.97Å; E908-R912 IonicContact OE1-NH2 3.72Å; E908-R912 PolarHBondContact OE1-NH2 3.32Å; Q909-R912 WeakPolarHBondContact O-CB 3.37Å; Q909-R912 PolarHBondContact O-N 3.17Å; F910-R912 VanDerWaalsContact C-N 3.26Å; F910-R912 PolarHBondContact O-N 2.82Å; R912-A915 WeakPolarHBondContact O-CB 3.35Å; R912-A915 PolarHBondContact O-N 3.11Å; R912-M916 WeakPolarHBondContact O-CG 3.49Å; R912-M916 PolarHBondContact O-N 3.23Å; R912-F926 HydrophobicContact CG-CE2 4.29Å; R912-F926 HydrophobicContact CG-CZ 3.81Å
913	Y	82.7	Confident	76.4	Confident	91 Å²	91	68.2 Å²	68.2	36%	0.357	34%	0.336	S	S	.	.	H	α-helix	trans	-63.8	-42.7	172.6	-79.2	-72.4	0	0	0	112.2	Q909 F910 L911 A915 M916	Q909-Y913 VanDerWaalsContact O-CD2 3.28Å; Q909-Y913 WeakPolarHBondContact O-CD2 3.49Å; Q909-Y913 PolarHBondContact O-N 3.37Å; F910-Y913 WeakPolarHBondContact O-CB 3.34Å; F910-Y913 PolarHBondContact O-N 3.33Å; L911-Y913 VanDerWaalsContact C-N 3.32Å; L911-Y913 PolarHBondContact O-N 2.74Å; Y913-A915 VanDerWaalsContact C-N 3.26Å; Y913-A915 PolarHBondContact O-N 3.16Å; Y913-M916 HydrophobicContact CD1-SD 4.07Å; Y913-M916 HydrophobicContact CE1-SD 4.47Å; Y913-M916 PolarHBondContact O-N 3.18Å
914	L	85.5	Confident	77.6	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-60.2	-39.8	172.6	-59.9	-172.2	0	0	0	111.3	L891 F910 L911 M916 S917 F925 Y968 L1220	L891-L914 HydrophobicContact CD1-CD2 4.11Å; L891-L914 HydrophobicContact CD2-CD2 4.04Å; F910-L914 HydrophobicContact CD1-CD1 4.42Å; F910-L914 HydrophobicContact CD1-CG 4.43Å; F910-L914 HydrophobicContact CE1-CD1 3.92Å; F910-L914 HydrophobicContact CE1-CD2 4.03Å; F910-L914 HydrophobicContact CE1-CG 3.99Å; F910-L914 HydrophobicContact CZ-CD2 3.81Å; F910-L914 HydrophobicContact CZ-CG 4.22Å; F910-L914 PolarHBondContact O-N 2.76Å; L911-L914 HydrophobicContact CD2-CD1 4.08Å; L911-L914 WeakPolarHBondContact O-CB 3.47Å; L911-L914 PolarHBondContact O-N 3.37Å; L914-M916 VanDerWaalsContact C-N 3.32Å; L914-M916 PolarHBondContact O-N 2.84Å; L914-S917 PolarHBondContact O-N 2.95Å; L914-F925 HydrophobicContact CB-CE1 4.28Å; L914-F925 HydrophobicContact CB-CE2 4.14Å; L914-F925 HydrophobicContact CB-CZ 3.61Å; L914-F925 HydrophobicContact CD1-CZ 4.44Å; L914-Y968 HydrophobicContact CD2-CD2 4.44Å; L914-Y968 HydrophobicContact CD2-CE2 4.11Å; L914-L1220 HydrophobicContact CD2-CD2 4.16Å
915	A	85.6	Confident	79.2	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-69.1	-24.3	-179.6	0	0	0	0	0	113.8	L911 R912 Y913 S917 H918 S922 F925 F926	L911-A915 VanDerWaalsContact O-CB 3.32Å; L911-A915 WeakPolarHBondContact O-CB 3.4Å; L911-A915 PolarHBondContact O-N 2.73Å; R912-A915 WeakPolarHBondContact O-CB 3.35Å; R912-A915 PolarHBondContact O-N 3.11Å; Y913-A915 VanDerWaalsContact C-N 3.26Å; Y913-A915 PolarHBondContact O-N 3.16Å; A915-S917 PolarHBondContact O-N 2.94Å; A915-H918 WeakPolarHBondContact O-CB 3.39Å; A915-H918 PolarHBondContact O-N 3.3Å; A915-S922 PolarHBondContact O-OG 3.47Å; A915-F925 HydrophobicContact CB-CB 4Å; A915-F925 HydrophobicContact CB-CD1 3.35Å; A915-F925 HydrophobicContact CB-CE1 3.9Å; A915-F925 HydrophobicContact CB-CG 3.71Å; A915-F926 HydrophobicContact CB-CE2 3.94Å; A915-F926 HydrophobicContact CB-CZ 4.14Å
916	M	81.5	Confident	80.7	Confident	135 Å²	135	54 Å²	54	67%	0.665	28%	0.275	S	S	*	.	H	α-helix	trans	-66.1	-29.5	175.3	-73.1	178.8	-177.3	0	0	112.3	R912 Y913 L914 H918	R912-M916 WeakPolarHBondContact O-CG 3.49Å; R912-M916 PolarHBondContact O-N 3.23Å; Y913-M916 HydrophobicContact CD1-SD 4.07Å; Y913-M916 HydrophobicContact CE1-SD 4.47Å; Y913-M916 PolarHBondContact O-N 3.18Å; L914-M916 VanDerWaalsContact C-N 3.32Å; L914-M916 PolarHBondContact O-N 2.84Å; M916-H918 VanDerWaalsContact C-N 3.28Å
917	S	74	Confident	81.9	Confident	54 Å²	54	58.1 Å²	58.1	38%	0.378	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-1.9	178.1	-61.6	0	0	0	0	113.1	L914 A915	L914-S917 PolarHBondContact O-N 2.95Å; A915-S917 PolarHBondContact O-N 2.94Å
918	H	82.8	Confident	83	Confident	11 Å²	11	59.1 Å²	59.1	5%	0.051	30%	0.301	C	S	.	.			trans	-79.9	127	-175.5	-175.4	78.5	0	0	0	111.1	A915 M916 E920 G921 F925 E928 S1217	A915-H918 WeakPolarHBondContact O-CB 3.39Å; A915-H918 PolarHBondContact O-N 3.3Å; M916-H918 VanDerWaalsContact C-N 3.28Å; H918-E920 VanDerWaalsContact C-N 3.31Å; H918-E920 PolarHBondContact CD2-N 3.42Å; H918-E920 PolarHBondContact O-N 3.36Å; H918-G921 PolarHBondContact CD2-O 3.33Å; H918-G921 PolarHBondContact O-N 2.89Å; H918-F925 HydrophobicContact CB-CB 3.77Å; H918-F925 HydrophobicContact CB-CD2 3.91Å; H918-F925 HydrophobicContact CB-CG 4.21Å; H918-F925 AromaticContact ND1-CD2 3.94Å; H918-E928 IonicContact CE1-OE1 3.8Å; H918-S1217 PolarHBondContact CE1-OG 3.13Å
919	P	71.9	Confident	84	Confident	85 Å²	85	54.8 Å²	54.8	55%	0.552	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-35	-172.5	-25.9	33.9	0	0	0	115.1	G921 H1188	P919-G921 VanDerWaalsContact C-N 3.3Å; P919-H1188 WeakPolarHBondContact CB-CD2 3.36Å; P919-H1188 VanDerWaalsContact CB-NE2 3.32Å; P919-H1188 WeakPolarHBondContact CB-NE2 3.32Å
920	E	78.5	Confident	84.9	Confident	93 Å²	93	55 Å²	55	44%	0.435	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	10.4	-178.9	-56.3	-175.5	170	0	0	113.1	H918 S924 P1185	H918-E920 VanDerWaalsContact C-N 3.31Å; H918-E920 PolarHBondContact CD2-N 3.42Å; H918-E920 PolarHBondContact O-N 3.36Å; E920-S924 PolarHBondContact OE2-OG 3.06Å; E920-P1185 WeakPolarHBondContact OE1-CG 3.47Å
921	G	82.9	Confident	85.6	Confident	31 Å²	31	59.3 Å²	59.3	32%	0.32	31%	0.309	S	S	.	.			trans	83.3	168	-178.9	0	0	0	0	0	114.5	H918 P919 E923 S924 F925	H918-G921 PolarHBondContact CD2-O 3.33Å; H918-G921 PolarHBondContact O-N 2.89Å; P919-G921 VanDerWaalsContact C-N 3.3Å; G921-E923 VanDerWaalsContact C-N 3.33Å; G921-E923 PolarHBondContact O-N 2.81Å; G921-S924 PolarHBondContact O-N 3.39Å; G921-F925 PolarHBondContact O-N 2.88Å
922	S	87.6	Confident	86.1	Confident	52 Å²	52	59.1 Å²	59.1	36%	0.364	31%	0.307	S	S	.	.	H	α-helix	trans	-65.7	-29.5	-167	-50.8	0	0	0	0	114.7	A915 F925 F926	A915-S922 PolarHBondContact O-OG 3.47Å; S922-F925 WeakPolarHBondContact O-CB 3.45Å; S922-F925 PolarHBondContact O-N 3.04Å; S922-F926 WeakPolarHBondContact O-CD2 3.3Å; S922-F926 PolarHBondContact O-N 3.21Å; S922-F926 VanDerWaalsContact O-N 3.11Å
923	E	87.7	Confident	86.6	Confident	156 Å²	156	52.7 Å²	52.7	73%	0.729	28%	0.283	S	S	*	.	H	α-helix	trans	-67.1	-43	178.5	-171.2	178.3	-179.5	0	0	112.1	G921 F925 F926 N927	G921-E923 VanDerWaalsContact C-N 3.33Å; G921-E923 PolarHBondContact O-N 2.81Å; E923-F925 VanDerWaalsContact C-N 3.32Å; E923-F925 PolarHBondContact O-N 3.11Å; E923-F926 PolarHBondContact O-N 3.35Å; E923-N927 PolarHBondContact O-N 3.23Å; E923-N927 VanDerWaalsContact O-N 3.11Å; E923-N927 PolarHBondContact O-ND2 3.38Å
924	S	87.5	Confident	87.2	Confident	29 Å²	29	52.6 Å²	52.6	20%	0.203	29%	0.286	C	S	.	.	H	α-helix	trans	-62	-42.9	175.6	-164.2	0	0	0	0	110.8	E920 G921 F926 N927 E928	E920-S924 PolarHBondContact OE2-OG 3.06Å; G921-S924 PolarHBondContact O-N 3.39Å; S924-F926 PolarHBondContact O-N 3.15Å; S924-N927 PolarHBondContact O-N 2.94Å; S924-E928 PolarHBondContact O-N 3.31Å
925	F	91.2	Very high	87.6	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-53.8	-52.8	174.6	178.3	-92.7	0	0	0	112.5	L914 A915 H918 G921 S922 E923 N927 E928 V929 L1220 V1221	L914-F925 HydrophobicContact CB-CE1 4.28Å; L914-F925 HydrophobicContact CB-CE2 4.14Å; L914-F925 HydrophobicContact CB-CZ 3.61Å; L914-F925 HydrophobicContact CD1-CZ 4.44Å; A915-F925 HydrophobicContact CB-CB 4Å; A915-F925 HydrophobicContact CB-CD1 3.35Å; A915-F925 HydrophobicContact CB-CE1 3.9Å; A915-F925 HydrophobicContact CB-CG 3.71Å; H918-F925 HydrophobicContact CB-CB 3.77Å; H918-F925 HydrophobicContact CB-CD2 3.91Å; H918-F925 HydrophobicContact CB-CG 4.21Å; H918-F925 AromaticContact ND1-CD2 3.94Å; G921-F925 PolarHBondContact O-N 2.88Å; S922-F925 WeakPolarHBondContact O-CB 3.45Å; S922-F925 PolarHBondContact O-N 3.04Å; E923-F925 VanDerWaalsContact C-N 3.32Å; E923-F925 PolarHBondContact O-N 3.11Å; F925-N927 VanDerWaalsContact C-N 3.32Å; F925-N927 PolarHBondContact O-N 3.44Å; F925-E928 PolarHBondContact O-N 2.97Å; F925-V929 HydrophobicContact CD1-CG2 4.04Å; F925-V929 HydrophobicContact CE1-CG2 3.66Å; F925-V929 HydrophobicContact CE2-CG2 4.29Å; F925-V929 HydrophobicContact CZ-CG2 3.79Å; F925-V929 WeakPolarHBondContact O-CG2 3.31Å; F925-V929 PolarHBondContact O-N 3.15Å; F925-L1220 HydrophobicContact CE2-CB 4.17Å; F925-V1221 HydrophobicContact CD2-CG2 3.54Å; F925-V1221 HydrophobicContact CE2-CB 4.41Å; F925-V1221 HydrophobicContact CE2-CG2 3.68Å
926	F	90.6	Very high	88	Confident	68 Å²	68	53.1 Å²	53.1	30%	0.298	29%	0.289	S	S	.	.	H	α-helix	trans	-65.3	-35.3	-178.1	-74.9	-64.7	0	0	0	112.7	L911 R912 A915 S922 E923 S924 V929 D930	L911-F926 HydrophobicContact CB-CE1 3.88Å; L911-F926 HydrophobicContact CB-CZ 4.36Å; R912-F926 HydrophobicContact CG-CE2 4.29Å; R912-F926 HydrophobicContact CG-CZ 3.81Å; A915-F926 HydrophobicContact CB-CE2 3.94Å; A915-F926 HydrophobicContact CB-CZ 4.14Å; S922-F926 WeakPolarHBondContact O-CD2 3.3Å; S922-F926 PolarHBondContact O-N 3.21Å; S922-F926 VanDerWaalsContact O-N 3.11Å; E923-F926 PolarHBondContact O-N 3.35Å; S924-F926 PolarHBondContact O-N 3.15Å; F926-V929 PolarHBondContact O-N 3.07Å; F926-D930 PolarHBondContact O-N 2.9Å
927	N	91.3	Very high	88.4	Confident	90 Å²	90	49.9 Å²	49.9	48%	0.481	27%	0.27	S	S	.	.	H	α-helix	trans	-64.8	-42.4	174.9	-72.4	-32.4	0	0	0	112	E923 S924 F925 N931	E923-N927 PolarHBondContact O-N 3.23Å; E923-N927 VanDerWaalsContact O-N 3.11Å; E923-N927 PolarHBondContact O-ND2 3.38Å; S924-N927 PolarHBondContact O-N 2.94Å; F925-N927 VanDerWaalsContact C-N 3.32Å; F925-N927 PolarHBondContact O-N 3.44Å; N927-N931 VanDerWaalsContact O-CG 3.3Å; N927-N931 PolarHBondContact O-N 3.12Å; N927-N931 VanDerWaalsContact O-N 3.11Å; N927-N931 PolarHBondContact O-ND2 3.43Å
928	E	92.8	Very high	89.2	Confident	30 Å²	30	55 Å²	55	14%	0.14	28%	0.281	C	S	.	.	H	α-helix	trans	-67	-40.7	175.4	-66.8	-174.2	-162.4	0	0	112.2	H918 S924 F925 N931 A932 S1217 V1221	H918-E928 IonicContact CE1-OE1 3.8Å; S924-E928 PolarHBondContact O-N 3.31Å; F925-E928 PolarHBondContact O-N 2.97Å; E928-N931 PolarHBondContact O-N 2.94Å; E928-A932 PolarHBondContact O-N 2.96Å; E928-S1217 VanDerWaalsContact CD-OG 3.29Å; E928-S1217 VanDerWaalsContact OE1-CB 3.29Å; E928-S1217 WeakPolarHBondContact OE1-CB 3.27Å; E928-S1217 PolarHBondContact OE1-OG 3.01Å; E928-S1217 WeakPolarHBondContact OE2-CB 3.27Å; E928-S1217 PolarHBondContact OE2-N 2.87Å; E928-S1217 PolarHBondContact OE2-OG 2.95Å; E928-V1221 HydrophobicContact CB-CG1 3.51Å; E928-V1221 HydrophobicContact CB-CG2 4.44Å
929	V	92.4	Very high	89.3	Confident	5 Å²	5	54.5 Å²	54.5	3%	0.03	28%	0.278	C	S	.	.	H	α-helix	trans	-58	-50.7	175.1	167	0	0	0	0	110.1	F925 F926 N931 A932 T933 V1221 A1225	F925-V929 HydrophobicContact CD1-CG2 4.04Å; F925-V929 HydrophobicContact CE1-CG2 3.66Å; F925-V929 HydrophobicContact CE2-CG2 4.29Å; F925-V929 HydrophobicContact CZ-CG2 3.79Å; F925-V929 WeakPolarHBondContact O-CG2 3.31Å; F925-V929 PolarHBondContact O-N 3.15Å; F926-V929 PolarHBondContact O-N 3.07Å; V929-N931 PolarHBondContact O-N 3.39Å; V929-A932 PolarHBondContact O-N 2.94Å; V929-T933 WeakPolarHBondContact O-CB 3.46Å; V929-T933 PolarHBondContact O-N 3.13Å; V929-T933 PolarHBondContact O-OG1 3.48Å; V929-V1221 HydrophobicContact CG2-CB 4.47Å; V929-V1221 HydrophobicContact CG2-CG1 3.97Å; V929-A1225 HydrophobicContact CG1-CB 4.47Å
930	D	91.6	Very high	89.8	Confident	82 Å²	82	52.3 Å²	52.3	44%	0.439	26%	0.262	S	S	.	.	H	α-helix	trans	-58.5	-47.3	178.6	-178.7	59.4	0	0	0	111.3	F926 A932 T933 Q934	F926-D930 PolarHBondContact O-N 2.9Å; D930-A932 VanDerWaalsContact C-N 3.34Å; D930-A932 PolarHBondContact O-N 3.28Å; D930-T933 CarbonylContact O-C 3.56Å; D930-T933 PolarHBondContact O-N 3.48Å; D930-T933 VanDerWaalsContact O-N 3.13Å; D930-Q934 VanDerWaalsContact O-CG 3.31Å; D930-Q934 WeakPolarHBondContact O-CG 3.21Å; D930-Q934 PolarHBondContact O-N 3.03Å; D930-Q934 PolarHBondContact OD1-NE2 3.07Å
931	N	93.6	Very high	90.4	Very high	94 Å²	94	49.6 Å²	49.6	50%	0.503	25%	0.249	S	C	.	.	H	α-helix	trans	-56.7	-44.8	178.1	-75.1	-42.7	0	0	0	113	N927 E928 V929 Q934 L935	N927-N931 VanDerWaalsContact O-CG 3.3Å; N927-N931 PolarHBondContact O-N 3.12Å; N927-N931 VanDerWaalsContact O-N 3.11Å; N927-N931 PolarHBondContact O-ND2 3.43Å; E928-N931 PolarHBondContact O-N 2.94Å; V929-N931 PolarHBondContact O-N 3.39Å; N931-Q934 PolarHBondContact O-N 2.84Å; N931-L935 PolarHBondContact O-N 3.31Å
932	A	94.9	Very high	91	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-68.5	-39.7	176.7	0	0	0	0	0	112	E928 V929 D930 Q934 L935 M936 I1180 V1214 V1216 A1225	E928-A932 PolarHBondContact O-N 2.96Å; V929-A932 PolarHBondContact O-N 2.94Å; D930-A932 VanDerWaalsContact C-N 3.34Å; D930-A932 PolarHBondContact O-N 3.28Å; A932-Q934 PolarHBondContact O-N 3.15Å; A932-L935 WeakPolarHBondContact O-CB 3.39Å; A932-L935 PolarHBondContact O-N 2.81Å; A932-M936 PolarHBondContact O-N 3.35Å; A932-M936 VanDerWaalsContact O-N 3.13Å; A932-I1180 HydrophobicContact CB-CD1 4.37Å; A932-V1214 HydrophobicContact CB-CG1 4.19Å; A932-V1216 HydrophobicContact CB-CG1 3.85Å; A932-A1225 HydrophobicContact CB-CB 3.54Å
933	T	93	Very high	91.3	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.006	23%	0.229	C	C	.	.	H	α-helix	trans	-62.9	-40.1	174.6	-63.2	0	0	0	0	111.7	V929 D930 L935 M936 Y937 A1225 Q1228	V929-T933 WeakPolarHBondContact O-CB 3.46Å; V929-T933 PolarHBondContact O-N 3.13Å; V929-T933 PolarHBondContact O-OG1 3.48Å; D930-T933 CarbonylContact O-C 3.56Å; D930-T933 PolarHBondContact O-N 3.48Å; D930-T933 VanDerWaalsContact O-N 3.13Å; T933-L935 VanDerWaalsContact C-N 3.29Å; T933-L935 PolarHBondContact O-N 3.18Å; T933-M936 CarbonylContact O-C 3.59Å; T933-M936 WeakPolarHBondContact O-CB 3.25Å; T933-M936 PolarHBondContact O-N 3.22Å; T933-M936 VanDerWaalsContact O-N 3.16Å; T933-Y937 HydrophobicContact CG2-CD1 4.07Å; T933-Y937 HydrophobicContact CG2-CD2 3.96Å; T933-Y937 HydrophobicContact CG2-CE1 3.65Å; T933-Y937 HydrophobicContact CG2-CE2 3.48Å; T933-Y937 VanDerWaalsContact CG2-CE2 3.48Å; T933-Y937 HydrophobicContact CG2-CG 4.23Å; T933-Y937 WeakPolarHBondContact O-CB 3.48Å; T933-Y937 VanDerWaalsContact O-CG 3.3Å; T933-Y937 PolarHBondContact O-N 3.24Å; T933-A1225 VanDerWaalsContact OG1-CA 3.29Å; T933-A1225 WeakPolarHBondContact OG1-CA 3.5Å; T933-A1225 PolarHBondContact OG1-O 3.37Å; T933-Q1228 HydrophobicContact CG2-CB 4.11Å; T933-Q1228 HydrophobicContact CG2-CG 3.92Å
934	Q	93.5	Very high	91.7	Very high	89 Å²	89	41.3 Å²	41.3	42%	0.416	20%	0.196	S	C	.	.	H	α-helix	trans	-61.6	-36.3	176	-67.2	-51.1	-35	0	0	112.2	D930 N931 A932 Y937 R938	D930-Q934 VanDerWaalsContact O-CG 3.31Å; D930-Q934 WeakPolarHBondContact O-CG 3.21Å; D930-Q934 PolarHBondContact O-N 3.03Å; D930-Q934 PolarHBondContact OD1-NE2 3.07Å; N931-Q934 PolarHBondContact O-N 2.84Å; A932-Q934 PolarHBondContact O-N 3.15Å; Q934-Y937 PolarHBondContact O-N 3.26Å; Q934-R938 WeakPolarHBondContact O-CG 3.39Å; Q934-R938 PolarHBondContact O-N 3.24Å; Q934-R938 VanDerWaalsContact O-N 3.08Å
935	L	94.8	Very high	92.2	Very high	10 Å²	10	40 Å²	40	5%	0.052	19%	0.186	C	C	.	.	H	α-helix	trans	-64.4	-47.4	173.2	-173	79.3	0	0	0	111.1	N931 A932 T933 Y937 R938 G939 Y1178 T1179 I1180 N1212 V1214	N931-L935 PolarHBondContact O-N 3.31Å; A932-L935 WeakPolarHBondContact O-CB 3.39Å; A932-L935 PolarHBondContact O-N 2.81Å; T933-L935 VanDerWaalsContact C-N 3.29Å; T933-L935 PolarHBondContact O-N 3.18Å; L935-Y937 PolarHBondContact O-N 3.27Å; L935-R938 PolarHBondContact O-N 3.39Å; L935-G939 PolarHBondContact O-N 2.89Å; L935-Y1178 HydrophobicContact CD1-CD1 3.94Å; L935-Y1178 HydrophobicContact CG-CD1 4.08Å; L935-T1179 WeakPolarHBondContact CD2-O 3.33Å; L935-I1180 HydrophobicContact CD2-CD1 4.14Å; L935-I1180 HydrophobicContact CD2-CG1 3.51Å; L935-N1212 HydrophobicContact CD1-CB 4.13Å; L935-V1214 HydrophobicContact CB-CG2 3.82Å; L935-V1214 HydrophobicContact CD1-CG2 4.22Å; L935-V1214 HydrophobicContact CD2-CB 4.13Å; L935-V1214 HydrophobicContact CD2-CG2 4Å; L935-V1214 HydrophobicContact CG-CG2 4.21Å
936	M	94	Very high	92.5	Very high	1 Å²	1	40 Å²	40	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-60.7	-34.3	174.9	-67	179	-179.2	0	0	111.6	A932 T933 G939 D940 F942 F976 I1180 L1222 A1225 M1226 A1229 R1232	A932-M936 PolarHBondContact O-N 3.35Å; A932-M936 VanDerWaalsContact O-N 3.13Å; T933-M936 CarbonylContact O-C 3.59Å; T933-M936 WeakPolarHBondContact O-CB 3.25Å; T933-M936 PolarHBondContact O-N 3.22Å; T933-M936 VanDerWaalsContact O-N 3.16Å; M936-G939 PolarHBondContact O-N 3.47Å; M936-D940 PolarHBondContact O-N 2.96Å; M936-F942 HydrophobicContact CB-CE2 4.43Å; M936-F942 HydrophobicContact CG-CE2 4.5Å; M936-F976 HydrophobicContact CE-CE2 4.29Å; M936-F976 HydrophobicContact CE-CZ 4.39Å; M936-F976 HydrophobicContact SD-CE2 3.7Å; M936-F976 HydrophobicContact SD-CZ 4.18Å; M936-I1180 HydrophobicContact CE-CD1 3.49Å; M936-I1180 VanDerWaalsContact CE-CD1 3.49Å; M936-I1180 HydrophobicContact CG-CD1 4.11Å; M936-L1222 HydrophobicContact CE-CD1 3.79Å; M936-A1225 HydrophobicContact CE-CB 4.27Å; M936-A1225 HydrophobicContact SD-CB 4.44Å; M936-M1226 HydrophobicContact CE-CG 3.64Å; M936-M1226 HydrophobicContact SD-CG 4.49Å; M936-A1229 HydrophobicContact CB-CB 4.17Å; M936-A1229 HydrophobicContact SD-CB 3.68Å; M936-R1232 PolarHBondContact O-NH2 2.64Å
937	Y	90.1	Very high	92.8	Very high	67 Å²	67	36.8 Å²	36.8	26%	0.263	17%	0.173	S	C	.	.	H	α-helix	trans	-66.8	-40.7	178.3	-74.6	-11.6	0	0	0	113.1	T933 Q934 L935 G939 D940 Q1228 A1229 R1232	T933-Y937 HydrophobicContact CG2-CD1 4.07Å; T933-Y937 HydrophobicContact CG2-CD2 3.96Å; T933-Y937 HydrophobicContact CG2-CE1 3.65Å; T933-Y937 HydrophobicContact CG2-CE2 3.48Å; T933-Y937 VanDerWaalsContact CG2-CE2 3.48Å; T933-Y937 HydrophobicContact CG2-CG 4.23Å; T933-Y937 WeakPolarHBondContact O-CB 3.48Å; T933-Y937 VanDerWaalsContact O-CG 3.3Å; T933-Y937 PolarHBondContact O-N 3.24Å; Q934-Y937 PolarHBondContact O-N 3.26Å; L935-Y937 PolarHBondContact O-N 3.27Å; Y937-G939 VanDerWaalsContact C-N 3.26Å; Y937-G939 PolarHBondContact O-N 3.09Å; Y937-D940 PolarHBondContact O-N 3.05Å; Y937-D940 VanDerWaalsContact O-N 3.11Å; Y937-Q1228 PolarHBondContact OH-O 2.86Å; Y937-Q1228 VanDerWaalsContact OH-O 3.14Å; Y937-A1229 HydrophobicContact CE1-CB 4.48Å; Y937-R1232 VanDerWaalsContact CA-NH1 3.26Å; Y937-R1232 VanDerWaalsContact CD1-CZ 3.48Å; Y937-R1232 HydrophobicContact CE1-CG 4.17Å; Y937-R1232 PolarHBondContact O-NH1 3.09Å
938	R	90.3	Very high	93	Very high	162 Å²	162	32.9 Å²	32.9	61%	0.611	15%	0.152	S	C	*	.	H	α-helix	trans	-62.1	-33.5	172.3	-70.5	168.8	56	143.4	-5	112.9	Q934 L935 D940 Y1178 N1212	Q934-R938 WeakPolarHBondContact O-CG 3.39Å; Q934-R938 PolarHBondContact O-N 3.24Å; Q934-R938 VanDerWaalsContact O-N 3.08Å; L935-R938 PolarHBondContact O-N 3.39Å; R938-D940 VanDerWaalsContact C-N 3.29Å; R938-D940 PolarHBondContact O-N 2.98Å; R938-Y1178 HydrophobicContact CB-CE1 3.94Å; R938-Y1178 PolarHBondContact O-OH 3.21Å; R938-N1212 PolarHBondContact NH2-OD1 2.74Å
939	G	84.7	Confident	93	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-70.7	-18.4	174.2	0	0	0	0	0	114.6	L935 M936 Y937 H941 N1152	L935-G939 PolarHBondContact O-N 2.89Å; M936-G939 PolarHBondContact O-N 3.47Å; Y937-G939 VanDerWaalsContact C-N 3.26Å; Y937-G939 PolarHBondContact O-N 3.09Å; G939-H941 VanDerWaalsContact C-N 3.26Å; G939-H941 CarbonylContact O-C 3.56Å; G939-H941 PolarHBondContact O-N 3.38Å; G939-H941 VanDerWaalsContact O-O 3.14Å; G939-N1152 PolarHBondContact O-ND2 3.34Å
940	D	82.7	Confident	92.7	Very high	38 Å²	38	32.1 Å²	32.1	20%	0.203	15%	0.148	C	C	.	.			trans	53.8	-73.8	-177.4	-161.7	11.2	0	0	0	114.7	M936 Y937 R938 R1232 R1235	M936-D940 PolarHBondContact O-N 2.96Å; Y937-D940 PolarHBondContact O-N 3.05Å; Y937-D940 VanDerWaalsContact O-N 3.11Å; R938-D940 VanDerWaalsContact C-N 3.29Å; R938-D940 PolarHBondContact O-N 2.98Å; D940-R1232 VanDerWaalsContact C-NH2 3.35Å; D940-R1232 VanDerWaalsContact CA-NH2 3.27Å; D940-R1232 PolarHBondContact O-NH2 3.49Å; D940-R1232 IonicContact OD1-NH1 3.95Å; D940-R1235 PolarHBondContact OD1-N 3.2Å
941	H	91.4	Very high	92.4	Very high	37 Å²	37	28.4 Å²	28.4	17%	0.171	13%	0.13	C	C	.	.	S	Bend	trans	-134.6	136.8	171.8	178.4	84.5	0	0	0	109.9	G939 C980 T981 N1152 I1234	G939-H941 VanDerWaalsContact C-N 3.26Å; G939-H941 CarbonylContact O-C 3.56Å; G939-H941 PolarHBondContact O-N 3.38Å; G939-H941 VanDerWaalsContact O-O 3.14Å; H941-C980 PolarHBondContact ND1-O 3.13Å; H941-T981 VanDerWaalsContact CE1-C 3.41Å; H941-N1152 WeakPolarHBondContact O-CB 3.42Å; H941-N1152 PolarHBondContact O-ND2 3.19Å; H941-I1234 HydrophobicContact CB-CG2 3.92Å
942	F	94.9	Very high	92.3	Very high	1 Å²	1	24 Å²	24	0%	0.004	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	117.7	180	-61.6	-73.2	0	0	0	111.2	M936 Y944 F976 C980 T981 Q982 N1152 L1154 Y1178	M936-F942 HydrophobicContact CB-CE2 4.43Å; M936-F942 HydrophobicContact CG-CE2 4.5Å; F942-Y944 PolarHBondContact O-N 3.13Å; F942-F976 HydrophobicContact CD2-CZ 4.19Å; F942-F976 HydrophobicContact CE2-CZ 4.21Å; F942-C980 PolarHBondContact N-O 3.22Å; F942-T981 HydrophobicContact CB-CG2 4.36Å; F942-T981 CarbonylContact O-C 3.59Å; F942-T981 WeakPolarHBondContact O-CA 3.4Å; F942-Q982 PolarHBondContact O-N 3.11Å; F942-N1152 CarbonylContact C-O 3.58Å; F942-N1152 WeakPolarHBondContact CA-O 3.24Å; F942-N1152 HydrophobicContact CD1-CB 3.89Å; F942-N1152 HydrophobicContact CE1-CB 4.37Å; F942-L1154 HydrophobicContact CB-CB 4.48Å; F942-L1154 HydrophobicContact CD1-CB 3.64Å; F942-L1154 HydrophobicContact CD2-CB 4.14Å; F942-L1154 HydrophobicContact CD2-CD2 4.22Å; F942-L1154 HydrophobicContact CE1-CB 3.78Å; F942-L1154 HydrophobicContact CE1-CD1 4.47Å; F942-L1154 HydrophobicContact CE2-CB 4.27Å; F942-L1154 HydrophobicContact CE2-CD2 3.97Å; F942-L1154 HydrophobicContact CG-CB 3.82Å; F942-L1154 HydrophobicContact CZ-CB 4.09Å; F942-L1154 HydrophobicContact CZ-CD1 4.31Å; F942-L1154 HydrophobicContact CZ-CD2 4.24Å; F942-L1154 HydrophobicContact CZ-CG 4.45Å; F942-Y1178 AromaticContact CE1-CD2 3.8Å; F942-Y1178 HydrophobicContact CE1-CD2 3.8Å; F942-Y1178 AromaticContact CE1-CG 3.92Å; F942-Y1178 HydrophobicContact CE1-CG 3.92Å
943	Q	95.1	Very high	92.2	Very high	54 Å²	54	24 Å²	24	25%	0.252	11%	0.106	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	-38	172.5	-167.7	67.5	42.9	0	0	111	Q982 Y983 N1152	Q943-Q982 WeakPolarHBondContact O-CB 3.22Å; Q943-Y983 PolarHBondContact O-N 3.07Å; Q943-Y983 VanDerWaalsContact O-N 3.13Å; Q943-N1152 PolarHBondContact N-O 3.36Å
944	Y	96.5	Very high	92	Very high	10 Å²	10	24.1 Å²	24.1	4%	0.039	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	134.4	179.3	-54.5	-71	0	0	0	110.7	F942 F946 Y983 L1146 D1147 L1148 N1152 V1153 L1154	F942-Y944 PolarHBondContact O-N 3.13Å; Y944-F946 HydrophobicContact CG-CE2 4.33Å; Y944-Y983 CarbonylContact C-O 3.5Å; Y944-Y983 WeakPolarHBondContact CA-O 3.32Å; Y944-Y983 HydrophobicContact CD1-CD2 4.14Å; Y944-Y983 HydrophobicContact CD1-CG 4.4Å; Y944-Y983 AromaticContact CE1-CD2 3.75Å; Y944-Y983 HydrophobicContact CE1-CD2 3.75Å; Y944-Y983 HydrophobicContact CE1-CE2 4.47Å; Y944-Y983 HydrophobicContact CE1-CG 4.34Å; Y944-L1146 HydrophobicContact CD1-CD1 4.48Å; Y944-L1146 HydrophobicContact CE1-CB 4.04Å; Y944-L1146 HydrophobicContact CE1-CD1 3.89Å; Y944-L1146 HydrophobicContact CE1-CD2 4.18Å; Y944-L1146 HydrophobicContact CE1-CG 4.24Å; Y944-D1147 WeakPolarHBondContact CE2-O 3.38Å; Y944-D1147 PolarHBondContact OH-N 3.05Å; Y944-D1147 PolarHBondContact OH-O 3.18Å; Y944-L1148 HydrophobicContact CD1-CD2 4.19Å; Y944-L1148 HydrophobicContact CD2-CD2 3.96Å; Y944-L1148 HydrophobicContact CE1-CD2 4.3Å; Y944-L1148 HydrophobicContact CE2-CD2 4.05Å; Y944-L1148 HydrophobicContact CG-CD2 4.04Å; Y944-N1152 PolarHBondContact N-O 3.19Å; Y944-V1153 HydrophobicContact CD2-CG2 4.08Å; Y944-V1153 CarbonylContact O-C 3.48Å; Y944-V1153 VanDerWaalsContact O-CA 3.28Å; Y944-V1153 WeakPolarHBondContact O-CA 3.44Å; Y944-L1154 PolarHBondContact O-N 3.23Å
945	F	97.2	Very high	91.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	113.5	172.1	173.2	-143.2	0	0	0	109.2	T947 F976 T981 Y983 A984 A985 F1008 L1154 C1156 M1226	F945-T947 HydrophobicContact CE1-CG2 4.06Å; F945-T947 HydrophobicContact CE2-CG2 4.06Å; F945-T947 HydrophobicContact CZ-CG2 3.68Å; F945-F976 HydrophobicContact CD1-CD1 4.18Å; F945-F976 AromaticContact CD1-CE1 3.95Å; F945-F976 HydrophobicContact CD1-CE1 3.95Å; F945-F976 HydrophobicContact CE1-CD1 4.07Å; F945-F976 HydrophobicContact CE1-CE1 4Å; F945-F976 HydrophobicContact CG-CE1 4.37Å; F945-F976 HydrophobicContact CZ-CE1 4.47Å; F945-T981 HydrophobicContact CB-CG2 3.72Å; F945-T981 HydrophobicContact CD1-CG2 4.12Å; F945-T981 HydrophobicContact CG-CG2 4.24Å; F945-Y983 PolarHBondContact N-O 2.94Å; F945-A984 HydrophobicContact CB-CB 4.29Å; F945-A984 HydrophobicContact CD1-CB 3.95Å; F945-A984 CarbonylContact O-C 3.54Å; F945-A984 WeakPolarHBondContact O-CA 3.5Å; F945-A985 PolarHBondContact O-N 3.43Å; F945-F1008 AromaticContact CD1-CE1 3.99Å; F945-F1008 HydrophobicContact CD1-CE1 3.99Å; F945-F1008 HydrophobicContact CD1-CZ 4.26Å; F945-F1008 AromaticContact CE1-CE1 3.82Å; F945-F1008 HydrophobicContact CE1-CE1 3.82Å; F945-F1008 AromaticContact CE1-CZ 3.92Å; F945-F1008 HydrophobicContact CE1-CZ 3.92Å; F945-L1154 CarbonylContact C-O 3.58Å; F945-L1154 WeakPolarHBondContact CA-O 3.3Å; F945-L1154 HydrophobicContact CD2-CB 3.78Å; F945-L1154 HydrophobicContact CD2-CD2 3.7Å; F945-L1154 HydrophobicContact CD2-CG 3.69Å; F945-L1154 HydrophobicContact CE2-CB 4.48Å; F945-L1154 HydrophobicContact CE2-CD2 3.73Å; F945-L1154 HydrophobicContact CE2-CG 3.89Å; F945-L1154 HydrophobicContact CG-CD2 4.45Å; F945-L1154 HydrophobicContact CZ-CD2 4.48Å; F945-C1156 HydrophobicContact CE2-CB 4.38Å; F945-M1226 HydrophobicContact CE1-CE 4.21Å; F945-M1226 HydrophobicContact CZ-CE 4.47Å
946	F	97.8	Very high	91	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.009	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	129.3	177.1	-62.2	-67.4	0	0	0	109.6	Y944 A985 L987 I1137 F1140 L1148 V1153 L1154 V1155 C1156 M1169	Y944-F946 HydrophobicContact CG-CE2 4.33Å; F946-A985 WeakPolarHBondContact CA-O 3.4Å; F946-A985 HydrophobicContact CD1-CB 3.73Å; F946-A985 HydrophobicContact CE1-CB 3.9Å; F946-L987 HydrophobicContact CB-CD1 4.34Å; F946-L987 HydrophobicContact CD1-CD1 3.8Å; F946-I1137 HydrophobicContact CB-CD1 4.08Å; F946-I1137 HydrophobicContact CD1-CD1 4.15Å; F946-I1137 HydrophobicContact CD1-CG1 4.08Å; F946-I1137 HydrophobicContact CD2-CD1 4.06Å; F946-I1137 HydrophobicContact CD2-CG2 4.47Å; F946-I1137 HydrophobicContact CE1-CG1 4.29Å; F946-I1137 HydrophobicContact CE1-CG2 4.14Å; F946-I1137 HydrophobicContact CE2-CG2 3.95Å; F946-I1137 HydrophobicContact CG-CD1 3.83Å; F946-I1137 HydrophobicContact CG-CG1 4.28Å; F946-I1137 HydrophobicContact CZ-CG2 3.77Å; F946-F1140 AromaticContact CE1-CD1 3.94Å; F946-F1140 HydrophobicContact CE1-CD1 3.94Å; F946-F1140 AromaticContact CE1-CE1 3.98Å; F946-F1140 HydrophobicContact CE1-CE1 3.98Å; F946-F1140 HydrophobicContact CZ-CD1 4.23Å; F946-F1140 HydrophobicContact CZ-CE1 4.25Å; F946-L1148 HydrophobicContact CE2-CD2 4.03Å; F946-L1148 HydrophobicContact CZ-CD2 4.01Å; F946-V1153 HydrophobicContact CD2-CG1 4.09Å; F946-V1153 HydrophobicContact CE2-CG1 4.4Å; F946-L1154 PolarHBondContact N-O 3.43Å; F946-V1155 CarbonylContact O-C 3.54Å; F946-V1155 WeakPolarHBondContact O-CA 3.31Å; F946-C1156 PolarHBondContact O-N 2.84Å; F946-M1169 HydrophobicContact CD2-CG 4.36Å; F946-M1169 HydrophobicContact CD2-SD 3.97Å; F946-M1169 HydrophobicContact CE2-SD 3.76Å
947	T	97.4	Very high	90.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	148.7	-176.4	-176.1	0	0	0	0	111.2	F945 T952 L953 A985 I986 L987 F1008 C1156	F945-T947 HydrophobicContact CE1-CG2 4.06Å; F945-T947 HydrophobicContact CE2-CG2 4.06Å; F945-T947 HydrophobicContact CZ-CG2 3.68Å; T947-T952 WeakPolarHBondContact OG1-CG2 3.3Å; T947-L953 HydrophobicContact CG2-CD1 3.56Å; T947-L953 HydrophobicContact CG2-CG 4.25Å; T947-A985 PolarHBondContact N-O 3.03Å; T947-I986 HydrophobicContact CG2-CG1 3.81Å; T947-I986 CarbonylContact O-C 3.57Å; T947-I986 VanDerWaalsContact O-CA 3.31Å; T947-I986 WeakPolarHBondContact O-CA 3.46Å; T947-L987 PolarHBondContact O-N 3.47Å; T947-F1008 HydrophobicContact CG2-CE1 4.3Å; T947-C1156 WeakPolarHBondContact CA-O 3.45Å; T947-C1156 WeakPolarHBondContact OG1-CB 3.4Å
948	D	94.5	Very high	89.8	Confident	8 Å²	8	26.5 Å²	26.5	4%	0.043	12%	0.124	C	C	.	.			trans	-74.5	170.1	157.5	-170.1	64.1	0	0	0	110.7	D950 K1133 C1156 M1165	D948-D950 PolarHBondContact OD2-N 3.45Å; D948-D950 VanDerWaalsContact OD2-N 3.09Å; D948-K1133 VanDerWaalsContact CG-NZ 3.3Å; D948-K1133 IonicContact OD1-NZ 3.08Å; D948-K1133 PolarHBondContact OD1-NZ 2.83Å; D948-C1156 PolarHBondContact N-O 3.13Å; D948-M1165 HydrophobicContact CB-CE 4.46Å
949	R	92.9	Very high	89.2	Confident	4 Å²	4	19.3 Å²	19.3	2%	0.015	10%	0.098	C	C	.	.			trans	-107.6	-63.1	-179.6	176.2	176.9	178.9	-113.2	3.1	112.6	T952 L953 K954 S963 I986 M1000	R949-T952 PolarHBondContact O-N 3.48Å; R949-L953 PolarHBondContact O-N 2.87Å; R949-K954 HydrophobicContact CG-CG 4.48Å; R949-K954 PolarHBondContact O-N 2.93Å; R949-K954 VanDerWaalsContact O-N 3.12Å; R949-S963 PolarHBondContact NH2-O 3.02Å; R949-I986 HydrophobicContact CB-CG2 3.81Å; R949-M1000 VanDerWaalsContact NH2-CB 3.26Å; R949-M1000 PolarHBondContact NH2-O 3.36Å; R949-M1000 VanDerWaalsContact NH2-O 3.13Å
950	D	85.9	Confident	88.9	Confident	14 Å²	14	20.9 Å²	20.9	8%	0.075	11%	0.105	C	C	.	.	B	Isolated β-bridge	trans	-85.2	121.3	-167.4	-67.9	-77	0	0	0	107.8	D948 T952 Y956 S963	D948-D950 PolarHBondContact OD2-N 3.45Å; D948-D950 VanDerWaalsContact OD2-N 3.09Å; D950-T952 VanDerWaalsContact C-N 3.26Å; D950-T952 PolarHBondContact O-N 3.06Å; D950-Y956 HydrophobicContact CB-CD1 4.05Å; D950-Y956 HydrophobicContact CB-CE1 3.8Å; D950-Y956 VanDerWaalsContact O-CZ 3.28Å; D950-Y956 PolarHBondContact O-OH 3.19Å; D950-Y956 VanDerWaalsContact O-OH 3.09Å; D950-S963 PolarHBondContact OD1-OG 3.16Å
951	G	85.4	Confident	88.8	Confident	5 Å²	5	21.5 Å²	21.5	5%	0.052	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	-17.9	-169	0	0	0	0	0	114.4	K954 D1158 V1182 P1219	G951-K954 CarbonylContact C-O 3.54Å; G951-K954 VanDerWaalsContact CA-O 3.28Å; G951-K954 WeakPolarHBondContact CA-O 3.38Å; G951-K954 PolarHBondContact N-O 3.48Å; G951-D1158 WeakPolarHBondContact O-CB 3.41Å; G951-V1182 WeakPolarHBondContact O-CG1 3.21Å; G951-P1219 WeakPolarHBondContact O-CG 3.48Å
952	T	91.4	Very high	88.6	Confident	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107	-64.9	179.4	-62.9	0	0	0	0	113.1	T947 R949 D950 C1156 G1157 D1158 V1182 P1219 L1222	T947-T952 WeakPolarHBondContact OG1-CG2 3.3Å; R949-T952 PolarHBondContact O-N 3.48Å; D950-T952 VanDerWaalsContact C-N 3.26Å; D950-T952 PolarHBondContact O-N 3.06Å; T952-C1156 HydrophobicContact CG2-CB 3.77Å; T952-G1157 VanDerWaalsContact OG1-CA 3.29Å; T952-G1157 WeakPolarHBondContact OG1-CA 3.19Å; T952-D1158 PolarHBondContact OG1-N 3Å; T952-D1158 PolarHBondContact OG1-OD1 3.49Å; T952-V1182 HydrophobicContact CG2-CG2 4.48Å; T952-P1219 WeakPolarHBondContact O-CA 3.46Å; T952-P1219 VanDerWaalsContact O-CB 3.29Å; T952-P1219 WeakPolarHBondContact O-CB 3.43Å; T952-L1222 HydrophobicContact CG2-CD2 3.87Å
953	L	92.8	Very high	88.2	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-16.2	-179.8	-67.9	173.8	0	0	0	113.2	T947 R949 S969 Q973 I986 L1222 L1223 M1226	T947-L953 HydrophobicContact CG2-CD1 3.56Å; T947-L953 HydrophobicContact CG2-CG 4.25Å; R949-L953 PolarHBondContact O-N 2.87Å; L953-S969 PolarHBondContact O-OG 2.94Å; L953-Q973 HydrophobicContact CD2-CG 4.34Å; L953-I986 HydrophobicContact CD1-CD1 4.04Å; L953-I986 HydrophobicContact CD1-CG1 3.99Å; L953-L1222 HydrophobicContact CD2-CD2 4.21Å; L953-L1223 WeakPolarHBondContact O-CD1 3.08Å; L953-M1226 HydrophobicContact CD2-CE 4.35Å; L953-M1226 HydrophobicContact CD2-SD 3.89Å
954	K	89	Confident	88.2	Confident	4 Å²	4	17.3 Å²	17.3	2%	0.017	9%	0.089	C	C	.	.	B	Isolated β-bridge	trans	-146.6	164.6	169	66.8	168.5	-74.3	-169.6	0	110.4	R949 G951 S963 I964 P1219	R949-K954 HydrophobicContact CG-CG 4.48Å; R949-K954 PolarHBondContact O-N 2.93Å; R949-K954 VanDerWaalsContact O-N 3.12Å; G951-K954 CarbonylContact C-O 3.54Å; G951-K954 VanDerWaalsContact CA-O 3.28Å; G951-K954 WeakPolarHBondContact CA-O 3.38Å; G951-K954 PolarHBondContact N-O 3.48Å; K954-S963 WeakPolarHBondContact CE-OG 3.23Å; K954-S963 PolarHBondContact NZ-O 3.3Å; K954-S963 VanDerWaalsContact NZ-O 3.08Å; K954-S963 PolarHBondContact NZ-OG 3.49Å; K954-I964 PolarHBondContact NZ-O 3.2Å; K954-P1219 WeakPolarHBondContact O-CG 3.38Å
955	S	85	Confident	88.1	Confident	28 Å²	28	17 Å²	17	20%	0.196	9%	0.088	C	C	.	.	P	Polyproline II helix	trans	-74.9	157.6	173.1	-53.7	0	0	0	0	111.3	D884 R887	D884-S955 WeakPolarHBondContact OD1-CB 3.48Å; R887-S955 PolarHBondContact NH2-OG 3.12Å
956	Y	81.4	Confident	88	Confident	140 Å²	140	17 Å²	17	55%	0.549	9%	0.088	S	C	.	.	P	Polyproline II helix	trans	-68.1	133.7	174.4	-71.3	-81.3	0	0	0	110.4	D950 D1158	D950-Y956 HydrophobicContact CB-CD1 4.05Å; D950-Y956 HydrophobicContact CB-CE1 3.8Å; D950-Y956 VanDerWaalsContact O-CZ 3.28Å; D950-Y956 PolarHBondContact O-OH 3.19Å; D950-Y956 VanDerWaalsContact O-OH 3.09Å; Y956-D1158 PolarHBondContact OH-OD2 3.24Å
957	A	82.5	Confident	87.9	Confident	22 Å²	22	16.9 Å²	16.9	18%	0.182	9%	0.087	C	C	.	.	P	Polyproline II helix	trans	-85.9	170.9	175.2	0	0	0	0	0	111.7	E885 S959	E885-A957 WeakPolarHBondContact OE1-CB 3.38Å; A957-S959 PolarHBondContact O-N 3.35Å
958	C	76.3	Confident	87.7	Confident	27 Å²	27	17 Å²	17	18%	0.182	9%	0.088	C	C	.	.	S	Bend	trans	-64	-28.6	178.9	80.6	0	0	0	0	112.6	D881 E885 S962	D881-C958 WeakPolarHBondContact O-CB 3.49Å; E885-C958 PolarHBondContact OE1-N 3.41Å; E885-C958 PolarHBondContact OE1-SG 3.07Å; C958-S962 PolarHBondContact SG-OG 2.9Å
959	S	79.1	Confident	87.7	Confident	11 Å²	11	16.7 Å²	16.7	8%	0.077	9%	0.086	C	C	.	.	S	Bend	trans	-150.6	158.8	173.3	68.9	0	0	0	0	111.1	Y817 A957 N961 S962 S963	Y817-S959 VanDerWaalsContact CE1-OG 3.31Å; Y817-S959 WeakPolarHBondContact CE1-OG 3.34Å; Y817-S959 PolarHBondContact OH-OG 3.39Å; A957-S959 PolarHBondContact O-N 3.35Å; S959-N961 VanDerWaalsContact C-N 3.3Å; S959-N961 PolarHBondContact O-N 3.38Å; S959-S962 PolarHBondContact N-OG 2.94Å; S959-S962 VanDerWaalsContact N-OG 3.15Å; S959-S962 PolarHBondContact O-N 2.94Å; S959-S962 VanDerWaalsContact O-N 3.16Å; S959-S962 PolarHBondContact O-OG 3.4Å; S959-S962 PolarHBondContact OG-OG 3.21Å; S959-S963 PolarHBondContact O-N 3.38Å; S959-S963 VanDerWaalsContact O-N 3.16Å
960	Y	78.4	Confident	87.8	Confident	33 Å²	33	16.5 Å²	16.5	13%	0.129	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-61.2	-39.7	179.9	-178.9	-94	0	0	0	112.4	S962 S963 A990 Y995 G996 I997 M1000	Y960-S962 PolarHBondContact O-N 3.46Å; Y960-S963 WeakPolarHBondContact O-CB 3.38Å; Y960-S963 PolarHBondContact O-N 3.47Å; Y960-A990 HydrophobicContact CE2-CB 3.52Å; Y960-A990 VanDerWaalsContact OH-CB 3.25Å; Y960-A990 WeakPolarHBondContact OH-CB 3.3Å; Y960-Y995 VanDerWaalsContact CE1-O 3.23Å; Y960-Y995 WeakPolarHBondContact CE1-O 3.35Å; Y960-G996 VanDerWaalsContact OH-C 3.27Å; Y960-G996 PolarHBondContact OH-O 3.4Å; Y960-I997 WeakPolarHBondContact OH-CA 3.29Å; Y960-I997 PolarHBondContact OH-N 3.17Å; Y960-M1000 HydrophobicContact CD1-CE 4.49Å; Y960-M1000 HydrophobicContact CE1-CE 4.11Å; Y960-M1000 HydrophobicContact CE1-CG 3.84Å; Y960-M1000 WeakPolarHBondContact OH-CG 3.39Å
961	N	80.8	Confident	88.1	Confident	51 Å²	51	15.9 Å²	15.9	27%	0.273	8%	0.082	S	C	.	.	G	3₁₀ helix	trans	-68.9	-16.5	-179.8	-71.2	-9.2	0	0	0	113.9	Y817 S959	Y817-N961 HydrophobicContact CD1-CB 3.67Å; Y817-N961 HydrophobicContact CE1-CB 3.43Å; Y817-N961 VanDerWaalsContact CE1-CB 3.43Å; Y817-N961 HydrophobicContact CG-CB 4.49Å; S959-N961 VanDerWaalsContact C-N 3.3Å; S959-N961 PolarHBondContact O-N 3.38Å
962	S	85.6	Confident	88.5	Confident	1 Å²	1	16 Å²	16	1%	0.007	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-98	-3.3	171	55.4	0	0	0	0	112.6	E885 C958 S959 Y960 I964	E885-S962 PolarHBondContact OE1-OG 3.4Å; C958-S962 PolarHBondContact SG-OG 2.9Å; S959-S962 PolarHBondContact N-OG 2.94Å; S959-S962 VanDerWaalsContact N-OG 3.15Å; S959-S962 PolarHBondContact O-N 2.94Å; S959-S962 VanDerWaalsContact O-N 3.16Å; S959-S962 PolarHBondContact O-OG 3.4Å; S959-S962 PolarHBondContact OG-OG 3.21Å; Y960-S962 PolarHBondContact O-N 3.46Å; S962-I964 PolarHBondContact O-N 3.44Å
963	S	87.5	Confident	88.6	Confident	3 Å²	3	16.2 Å²	16.2	2%	0.021	8%	0.082	C	C	.	.			trans	-73.5	48.2	179.9	-162.8	0	0	0	0	113.1	R949 D950 K954 S959 Y960	R949-S963 PolarHBondContact NH2-O 3.02Å; D950-S963 PolarHBondContact OD1-OG 3.16Å; K954-S963 WeakPolarHBondContact CE-OG 3.23Å; K954-S963 PolarHBondContact NZ-O 3.3Å; K954-S963 VanDerWaalsContact NZ-O 3.08Å; K954-S963 PolarHBondContact NZ-OG 3.49Å; S959-S963 PolarHBondContact O-N 3.38Å; S959-S963 VanDerWaalsContact O-N 3.16Å; Y960-S963 WeakPolarHBondContact O-CB 3.38Å; Y960-S963 PolarHBondContact O-N 3.47Å
964	I	93.9	Very high	88.6	Confident	1 Å²	1	16.2 Å²	16.2	1%	0.005	8%	0.083	C	C	.	.	P	Polyproline II helix	trans	-63.8	136.5	172.3	-55.8	-49.4	0	0	0	109.6	M820 R824 Q888 K954 S962 M1000 V1002	M820-I964 HydrophobicContact CB-CG1 4.22Å; R824-I964 HydrophobicContact CB-CD1 3.84Å; R824-I964 HydrophobicContact CB-CG1 4.12Å; R824-I964 HydrophobicContact CB-CG2 3.6Å; R824-I964 HydrophobicContact CG-CD1 4.14Å; R824-I964 HydrophobicContact CG-CG2 3.98Å; Q888-I964 PolarHBondContact OE1-O 3.32Å; K954-I964 PolarHBondContact NZ-O 3.2Å; S962-I964 PolarHBondContact O-N 3.44Å; I964-M1000 HydrophobicContact CD1-SD 3.67Å; I964-V1002 HydrophobicContact CG2-CG1 4.11Å
965	E	94.9	Very high	88.6	Confident	2 Å²	2	16.8 Å²	16.8	1%	0.009	9%	0.086	C	C	.	.	P	Polyproline II helix	trans	-72.2	127.9	174.9	179.2	-179.6	-148.8	0	0	111	R827 A970 Q973 M1000 V1001 V1002	R827-E965 WeakPolarHBondContact CD-O 3.29Å; E965-A970 HydrophobicContact CG-CB 4.14Å; E965-Q973 PolarHBondContact OE1-NE2 2.88Å; E965-Q973 PolarHBondContact OE1-OE1 3.36Å; E965-M1000 PolarHBondContact N-O 3.38Å; E965-V1001 WeakPolarHBondContact OE2-CA 3.48Å; E965-V1002 HydrophobicContact CB-CG1 4.33Å; E965-V1002 HydrophobicContact CB-CG2 3.95Å; E965-V1002 HydrophobicContact CG-CG2 3.87Å; E965-V1002 VanDerWaalsContact O-CG1 3.29Å; E965-V1002 WeakPolarHBondContact O-CG1 3.29Å; E965-V1002 WeakPolarHBondContact O-CG2 3.31Å; E965-V1002 PolarHBondContact OE2-N 3.23Å
966	P	95.7	Very high	89	Confident	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.077	C	C	.	.	P	Polyproline II helix	trans	-62.7	150.3	174	-22.1	32.8	0	0	0	112.9	Q888 Y968 S969 A970	Q888-P966 HydrophobicContact CB-CG 4.04Å; Q888-P966 HydrophobicContact CG-CG 3.67Å; P966-Y968 HydrophobicContact CB-CD1 3.53Å; P966-Y968 HydrophobicContact CB-CE1 3.31Å; P966-Y968 HydrophobicContact CB-CG 4.48Å; P966-Y968 HydrophobicContact CG-CE1 3.82Å; P966-S969 PolarHBondContact O-N 3.16Å; P966-A970 WeakPolarHBondContact O-CB 3.49Å; P966-A970 PolarHBondContact O-N 3.47Å; P966-A970 VanDerWaalsContact O-N 3.09Å
967	A	95.6	Very high	89.6	Confident	0 Å²	0	9 Å²	9	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-66.1	-41.4	179.3	0	0	0	0	0	112	R827 I830 V831 D892 S969 A970 V971	R827-A967 HydrophobicContact CB-CB 4.25Å; R827-A967 HydrophobicContact CG-CB 4.13Å; I830-A967 HydrophobicContact CB-CB 4.21Å; I830-A967 HydrophobicContact CG2-CB 3.79Å; V831-A967 HydrophobicContact CG2-CB 3.94Å; D892-A967 WeakPolarHBondContact OD1-CA 3.41Å; D892-A967 WeakPolarHBondContact OD1-CB 3.22Å; D892-A967 PolarHBondContact OD1-N 3.03Å; A967-S969 VanDerWaalsContact C-N 3.32Å; A967-S969 PolarHBondContact O-N 3.06Å; A967-A970 PolarHBondContact O-N 3.24Å; A967-V971 WeakPolarHBondContact O-CG2 3.29Å; A967-V971 PolarHBondContact O-N 3.09Å
968	Y	93.1	Very high	89.9	Confident	4 Å²	4	13.7 Å²	13.7	2%	0.016	8%	0.075	C	C	.	.	H	α-helix	trans	-61	-42.4	178.6	78.7	-93.1	0	0	0	111.9	L891 D892 F895 F910 L914 P966 V971 I972 L1220 L1223	L891-Y968 HydrophobicContact CB-CD1 3.97Å; L891-Y968 HydrophobicContact CB-CE1 3.76Å; L891-Y968 HydrophobicContact CD1-CE1 4.08Å; D892-Y968 WeakPolarHBondContact OD1-CD1 3.3Å; D892-Y968 PolarHBondContact OD1-N 3.05Å; D892-Y968 VanDerWaalsContact OD1-N 3.1Å; F895-Y968 VanDerWaalsContact CG-CB 3.47Å; F910-Y968 HydrophobicContact CE1-CD2 4.05Å; F910-Y968 HydrophobicContact CE1-CG 4.47Å; F910-Y968 AromaticContact CZ-CD2 3.66Å; F910-Y968 HydrophobicContact CZ-CD2 3.66Å; F910-Y968 AromaticContact CZ-CG 3.73Å; F910-Y968 HydrophobicContact CZ-CG 3.73Å; L914-Y968 HydrophobicContact CD2-CD2 4.44Å; L914-Y968 HydrophobicContact CD2-CE2 4.11Å; P966-Y968 HydrophobicContact CB-CD1 3.53Å; P966-Y968 HydrophobicContact CB-CE1 3.31Å; P966-Y968 HydrophobicContact CB-CG 4.48Å; P966-Y968 HydrophobicContact CG-CE1 3.82Å; Y968-V971 PolarHBondContact O-N 3.13Å; Y968-I972 HydrophobicContact CD2-CD1 4.26Å; Y968-I972 WeakPolarHBondContact O-CG1 3.46Å; Y968-I972 PolarHBondContact O-N 3.16Å; Y968-I972 VanDerWaalsContact O-N 3.11Å; Y968-L1220 HydrophobicContact CE2-CD2 4.17Å; Y968-L1220 WeakPolarHBondContact OH-CD2 3.39Å; Y968-L1223 HydrophobicContact CE2-CD1 3.7Å
969	S	94.5	Very high	90.4	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-65.7	-46.5	-179.4	178.9	0	0	0	0	110	L953 P966 A967 V971 I972 Q973 L1223	L953-S969 PolarHBondContact O-OG 2.94Å; P966-S969 PolarHBondContact O-N 3.16Å; A967-S969 VanDerWaalsContact C-N 3.32Å; A967-S969 PolarHBondContact O-N 3.06Å; S969-V971 PolarHBondContact O-N 3.21Å; S969-I972 PolarHBondContact O-N 2.84Å; S969-Q973 WeakPolarHBondContact O-CB 3.23Å; S969-Q973 VanDerWaalsContact O-CG 3.25Å; S969-Q973 WeakPolarHBondContact O-CG 3.33Å; S969-Q973 PolarHBondContact O-N 3.32Å; S969-Q973 PolarHBondContact OG-NE2 2.69Å; S969-L1223 WeakPolarHBondContact OG-CD1 3.35Å; S969-L1223 WeakPolarHBondContact OG-CD2 3.33Å
970	A	95.4	Very high	91	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-59.5	-43.6	176.5	0	0	0	0	0	112.8	V831 E965 P966 A967 I972 Q973 A974 V1002 L1003	V831-A970 HydrophobicContact CG1-CB 4.08Å; V831-A970 HydrophobicContact CG2-CB 3.6Å; E965-A970 HydrophobicContact CG-CB 4.14Å; P966-A970 WeakPolarHBondContact O-CB 3.49Å; P966-A970 PolarHBondContact O-N 3.47Å; P966-A970 VanDerWaalsContact O-N 3.09Å; A967-A970 PolarHBondContact O-N 3.24Å; A970-I972 PolarHBondContact O-N 2.78Å; A970-Q973 PolarHBondContact O-N 2.73Å; A970-A974 WeakPolarHBondContact O-CB 3.28Å; A970-A974 PolarHBondContact O-N 3.13Å; A970-V1002 HydrophobicContact CB-CG2 3.41Å; A970-V1002 VanDerWaalsContact CB-CG2 3.41Å; A970-L1003 HydrophobicContact CB-CD2 4.04Å; A970-L1003 HydrophobicContact CB-CG 3.9Å; A970-L1003 WeakPolarHBondContact O-CD2 3.46Å
971	V	92.5	Very high	91.7	Very high	1 Å²	1	15 Å²	15	1%	0.006	8%	0.075	C	C	.	.	H	α-helix	trans	-64	-42.5	178	171.9	0	0	0	0	111.7	V831 V834 V835 F895 A967 Y968 S969 A974 T975	V831-V971 HydrophobicContact CB-CG2 4.44Å; V831-V971 HydrophobicContact CG1-CG2 4.28Å; V831-V971 HydrophobicContact CG2-CG2 4.17Å; V834-V971 HydrophobicContact CB-CG2 3.88Å; V834-V971 HydrophobicContact CG1-CG1 3.77Å; V834-V971 HydrophobicContact CG1-CG2 3.92Å; V834-V971 HydrophobicContact CG2-CG2 4.34Å; V835-V971 HydrophobicContact CG2-CG2 4.41Å; F895-V971 HydrophobicContact CE1-CG2 4.11Å; F895-V971 HydrophobicContact CE2-CB 4.43Å; F895-V971 HydrophobicContact CE2-CG1 4.46Å; F895-V971 HydrophobicContact CZ-CB 3.75Å; F895-V971 HydrophobicContact CZ-CG1 3.95Å; F895-V971 HydrophobicContact CZ-CG2 3.74Å; A967-V971 WeakPolarHBondContact O-CG2 3.29Å; A967-V971 PolarHBondContact O-N 3.09Å; Y968-V971 PolarHBondContact O-N 3.13Å; S969-V971 PolarHBondContact O-N 3.21Å; V971-A974 PolarHBondContact O-N 2.89Å; V971-T975 WeakPolarHBondContact O-CB 3.27Å; V971-T975 PolarHBondContact O-N 3.2Å; V971-T975 PolarHBondContact O-OG1 3.36Å
972	I	92.4	Very high	92.2	Very high	9 Å²	9	17.8 Å²	17.8	5%	0.046	9%	0.087	C	C	.	.	H	α-helix	trans	-60.7	-47.4	175.6	-70.2	169.1	0	0	0	110.3	F910 Y968 S969 A970 T975 F976 L1223 M1226 A1227	F910-I972 HydrophobicContact CE1-CD1 4.07Å; Y968-I972 HydrophobicContact CD2-CD1 4.26Å; Y968-I972 WeakPolarHBondContact O-CG1 3.46Å; Y968-I972 PolarHBondContact O-N 3.16Å; Y968-I972 VanDerWaalsContact O-N 3.11Å; S969-I972 PolarHBondContact O-N 2.84Å; A970-I972 PolarHBondContact O-N 2.78Å; I972-T975 PolarHBondContact O-N 3.14Å; I972-F976 WeakPolarHBondContact O-CB 3.37Å; I972-F976 PolarHBondContact O-N 2.94Å; I972-L1223 HydrophobicContact CD1-CB 4.32Å; I972-L1223 HydrophobicContact CG2-CB 4.46Å; I972-L1223 HydrophobicContact CG2-CD2 4.14Å; I972-L1223 WeakPolarHBondContact CG2-O 3.34Å; I972-M1226 HydrophobicContact CG2-CB 3.77Å; I972-A1227 HydrophobicContact CD1-CB 4.23Å; I972-A1227 HydrophobicContact CG1-CB 4.19Å; I972-A1227 HydrophobicContact CG2-CB 4.16Å
973	Q	94.8	Very high	92.5	Very high	3 Å²	3	21.7 Å²	21.7	1%	0.014	10%	0.102	C	C	.	.	H	α-helix	trans	-61.1	-46.5	178.1	-73.4	177.8	56.3	0	0	112.1	L953 E965 S969 A970 T975 F976 A977 L1003 F1008 L1223 M1226	L953-Q973 HydrophobicContact CD2-CG 4.34Å; E965-Q973 PolarHBondContact OE1-NE2 2.88Å; E965-Q973 PolarHBondContact OE1-OE1 3.36Å; S969-Q973 WeakPolarHBondContact O-CB 3.23Å; S969-Q973 VanDerWaalsContact O-CG 3.25Å; S969-Q973 WeakPolarHBondContact O-CG 3.33Å; S969-Q973 PolarHBondContact O-N 3.32Å; S969-Q973 PolarHBondContact OG-NE2 2.69Å; A970-Q973 PolarHBondContact O-N 2.73Å; Q973-T975 VanDerWaalsContact C-N 3.34Å; Q973-T975 PolarHBondContact O-N 2.94Å; Q973-F976 PolarHBondContact O-N 3.4Å; Q973-A977 VanDerWaalsContact O-CB 3.28Å; Q973-A977 WeakPolarHBondContact O-CB 3.21Å; Q973-A977 PolarHBondContact O-N 2.66Å; Q973-L1003 HydrophobicContact CB-CD1 4.21Å; Q973-F1008 HydrophobicContact CB-CE2 3.86Å; Q973-F1008 HydrophobicContact CB-CZ 4.17Å; Q973-L1223 HydrophobicContact CG-CD2 4.2Å; Q973-M1226 HydrophobicContact CG-CE 4.12Å
974	A	92.3	Very high	92.9	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.008	10%	0.103	C	C	.	.	H	α-helix	trans	-58.7	-46.4	176.5	0	0	0	0	0	111.6	V835 A970 V971 A977 N978 L1003 Y1007	V835-A974 HydrophobicContact CG2-CB 3.97Å; A970-A974 WeakPolarHBondContact O-CB 3.28Å; A970-A974 PolarHBondContact O-N 3.13Å; V971-A974 PolarHBondContact O-N 2.89Å; A974-A977 PolarHBondContact O-N 3.29Å; A974-N978 VanDerWaalsContact O-CB 3.26Å; A974-N978 WeakPolarHBondContact O-CB 3.46Å; A974-N978 PolarHBondContact O-N 2.87Å; A974-L1003 HydrophobicContact CB-CD2 3.63Å; A974-Y1007 HydrophobicContact CB-CD1 3.66Å; A974-Y1007 HydrophobicContact CB-CE1 3.87Å; A974-Y1007 HydrophobicContact CB-CG 4.04Å; A974-Y1007 WeakPolarHBondContact O-CD1 3.44Å
975	T	89.4	Confident	93	Very high	15 Å²	15	21.8 Å²	21.8	9%	0.092	10%	0.103	C	C	.	.	H	α-helix	trans	-65.8	-42.5	-178.6	-51.6	0	0	0	0	110.9	V971 I972 Q973 R979 T1230	V971-T975 WeakPolarHBondContact O-CB 3.27Å; V971-T975 PolarHBondContact O-N 3.2Å; V971-T975 PolarHBondContact O-OG1 3.36Å; I972-T975 PolarHBondContact O-N 3.14Å; Q973-T975 VanDerWaalsContact C-N 3.34Å; Q973-T975 PolarHBondContact O-N 2.94Å; T975-R979 WeakPolarHBondContact O-CB 3.41Å; T975-R979 WeakPolarHBondContact O-CG 3.39Å; T975-R979 PolarHBondContact O-N 2.98Å; T975-T1230 HydrophobicContact CG2-CG2 3.88Å
976	F	93.1	Very high	93.1	Very high	1 Å²	1	21.7 Å²	21.7	0%	0.004	10%	0.103	C	C	.	.	H	α-helix	trans	-65	-47.9	175.7	-176.1	-92.2	0	0	0	111.8	M936 F942 F945 I972 Q973 N978 R979 C980 T981 L1154 M1226 A1229 T1230	M936-F976 HydrophobicContact CE-CE2 4.29Å; M936-F976 HydrophobicContact CE-CZ 4.39Å; M936-F976 HydrophobicContact SD-CE2 3.7Å; M936-F976 HydrophobicContact SD-CZ 4.18Å; F942-F976 HydrophobicContact CD2-CZ 4.19Å; F942-F976 HydrophobicContact CE2-CZ 4.21Å; F945-F976 HydrophobicContact CD1-CD1 4.18Å; F945-F976 AromaticContact CD1-CE1 3.95Å; F945-F976 HydrophobicContact CD1-CE1 3.95Å; F945-F976 HydrophobicContact CE1-CD1 4.07Å; F945-F976 HydrophobicContact CE1-CE1 4Å; F945-F976 HydrophobicContact CG-CE1 4.37Å; F945-F976 HydrophobicContact CZ-CE1 4.47Å; I972-F976 WeakPolarHBondContact O-CB 3.37Å; I972-F976 PolarHBondContact O-N 2.94Å; Q973-F976 PolarHBondContact O-N 3.4Å; F976-N978 VanDerWaalsContact C-N 3.32Å; F976-N978 PolarHBondContact O-N 2.78Å; F976-R979 PolarHBondContact O-N 2.92Å; F976-C980 HydrophobicContact CD1-CB 4.39Å; F976-C980 HydrophobicContact CD2-CB 3.86Å; F976-C980 HydrophobicContact CE1-CB 4.24Å; F976-C980 HydrophobicContact CE2-CB 3.68Å; F976-C980 HydrophobicContact CG-CB 4.22Å; F976-C980 HydrophobicContact CZ-CB 3.9Å; F976-C980 WeakPolarHBondContact O-CA 3.49Å; F976-C980 VanDerWaalsContact O-CB 3.27Å; F976-C980 WeakPolarHBondContact O-CB 3.27Å; F976-C980 PolarHBondContact O-N 3.31Å; F976-T981 HydrophobicContact CD1-CG2 3.97Å; F976-T981 HydrophobicContact CE1-CG2 3.66Å; F976-L1154 HydrophobicContact CE1-CD2 4.09Å; F976-L1154 HydrophobicContact CZ-CD2 3.85Å; F976-M1226 HydrophobicContact CB-CB 4.26Å; F976-M1226 HydrophobicContact CB-CE 3.63Å; F976-M1226 HydrophobicContact CD1-CE 3.6Å; F976-M1226 HydrophobicContact CD2-CB 3.89Å; F976-M1226 HydrophobicContact CD2-CE 4.44Å; F976-M1226 HydrophobicContact CD2-CG 4.07Å; F976-M1226 HydrophobicContact CE1-CE 4.37Å; F976-M1226 HydrophobicContact CE2-CG 4.34Å; F976-M1226 HydrophobicContact CG-CB 4.14Å; F976-M1226 HydrophobicContact CG-CE 3.63Å; F976-M1226 HydrophobicContact CG-CG 4.18Å; F976-A1229 HydrophobicContact CD2-CB 4.29Å; F976-A1229 HydrophobicContact CE2-CB 4.01Å; F976-T1230 HydrophobicContact CB-CG2 4.22Å; F976-T1230 HydrophobicContact CD2-CG2 4.39Å
977	A	93.2	Very high	93.1	Very high	5 Å²	5	21.7 Å²	21.7	4%	0.041	10%	0.103	C	C	.	.	H	α-helix	trans	-58.1	-45.5	178.4	0	0	0	0	0	111.2	Q973 A974 T981 A984 F1008	Q973-A977 VanDerWaalsContact O-CB 3.28Å; Q973-A977 WeakPolarHBondContact O-CB 3.21Å; Q973-A977 PolarHBondContact O-N 2.66Å; A974-A977 PolarHBondContact O-N 3.29Å; A977-T981 WeakPolarHBondContact CA-OG1 3.48Å; A977-T981 PolarHBondContact O-N 3.01Å; A977-T981 PolarHBondContact O-OG1 3.44Å; A977-A984 HydrophobicContact CB-CB 3.95Å; A977-F1008 HydrophobicContact CB-CD2 4.23Å; A977-F1008 HydrophobicContact CB-CE2 3.66Å; A977-F1008 HydrophobicContact CB-CZ 4.08Å
978	N	89	Confident	92.9	Very high	120 Å²	120	21.8 Å²	21.8	64%	0.642	10%	0.103	S	C	*	.	H	α-helix	trans	-71.2	-36.8	-178	-168.7	37.6	0	0	0	113.6	A974 F976 Y1007	A974-N978 VanDerWaalsContact O-CB 3.26Å; A974-N978 WeakPolarHBondContact O-CB 3.46Å; A974-N978 PolarHBondContact O-N 2.87Å; F976-N978 VanDerWaalsContact C-N 3.32Å; F976-N978 PolarHBondContact O-N 2.78Å; N978-Y1007 HydrophobicContact CB-CD1 4.39Å; N978-Y1007 HydrophobicContact CB-CE1 4.14Å
979	R	86.8	Confident	92.5	Very high	85 Å²	85	23.6 Å²	23.6	32%	0.321	12%	0.116	S	C	.	.	H	α-helix	trans	-93.6	-38.2	-175.5	-63.6	-171.8	74.8	167	-2.8	113.4	L328 T975 F976 T1230 I1234	L328-R979 PolarHBondContact O-NH1 2.74Å; T975-R979 WeakPolarHBondContact O-CB 3.41Å; T975-R979 WeakPolarHBondContact O-CG 3.39Å; T975-R979 PolarHBondContact O-N 2.98Å; F976-R979 PolarHBondContact O-N 2.92Å; R979-T1230 VanDerWaalsContact CZ-O 3.26Å; R979-T1230 PolarHBondContact NH1-O 2.77Å; R979-I1234 HydrophobicContact CB-CD1 4.18Å; R979-I1234 WeakPolarHBondContact O-CD1 3.3Å
980	C	92.1	Very high	92.2	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.007	12%	0.117	C	C	.	.	H	α-helix	trans	-104.8	-8.5	-168.8	-56.6	0	0	0	0	113.5	H941 F942 F976 I1234	H941-C980 PolarHBondContact ND1-O 3.13Å; F942-C980 PolarHBondContact N-O 3.22Å; F976-C980 HydrophobicContact CD1-CB 4.39Å; F976-C980 HydrophobicContact CD2-CB 3.86Å; F976-C980 HydrophobicContact CE1-CB 4.24Å; F976-C980 HydrophobicContact CE2-CB 3.68Å; F976-C980 HydrophobicContact CG-CB 4.22Å; F976-C980 HydrophobicContact CZ-CB 3.9Å; F976-C980 WeakPolarHBondContact O-CA 3.49Å; F976-C980 VanDerWaalsContact O-CB 3.27Å; F976-C980 WeakPolarHBondContact O-CB 3.27Å; F976-C980 PolarHBondContact O-N 3.31Å; C980-I1234 HydrophobicContact CB-CD1 4.48Å
981	T	93	Very high	91.8	Very high	11 Å²	11	24.3 Å²	24.3	7%	0.067	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	154.1	-174.4	83.1	0	0	0	0	113.6	H941 F942 F945 F976 A977	H941-T981 VanDerWaalsContact CE1-C 3.41Å; F942-T981 HydrophobicContact CB-CG2 4.36Å; F942-T981 CarbonylContact O-C 3.59Å; F942-T981 WeakPolarHBondContact O-CA 3.4Å; F945-T981 HydrophobicContact CB-CG2 3.72Å; F945-T981 HydrophobicContact CD1-CG2 4.12Å; F945-T981 HydrophobicContact CG-CG2 4.24Å; F976-T981 HydrophobicContact CD1-CG2 3.97Å; F976-T981 HydrophobicContact CE1-CG2 3.66Å; A977-T981 WeakPolarHBondContact CA-OG1 3.48Å; A977-T981 PolarHBondContact O-N 3.01Å; A977-T981 PolarHBondContact O-OG1 3.44Å
982	Q	91.2	Very high	91.4	Very high	110 Å²	110	24.7 Å²	24.7	51%	0.514	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-40.3	169.5	-176.6	63.5	73.9	0	0	112.4	F942 Q943	F942-Q982 PolarHBondContact O-N 3.11Å; Q943-Q982 WeakPolarHBondContact O-CB 3.22Å
983	Y	91.9	Very high	90.7	Very high	83 Å²	83	29.3 Å²	29.3	33%	0.325	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	120.5	172	-70.7	-81.4	0	0	0	109.4	Q943 Y944 F945 L1146	Q943-Y983 PolarHBondContact O-N 3.07Å; Q943-Y983 VanDerWaalsContact O-N 3.13Å; Y944-Y983 CarbonylContact C-O 3.5Å; Y944-Y983 WeakPolarHBondContact CA-O 3.32Å; Y944-Y983 HydrophobicContact CD1-CD2 4.14Å; Y944-Y983 HydrophobicContact CD1-CG 4.4Å; Y944-Y983 AromaticContact CE1-CD2 3.75Å; Y944-Y983 HydrophobicContact CE1-CD2 3.75Å; Y944-Y983 HydrophobicContact CE1-CE2 4.47Å; Y944-Y983 HydrophobicContact CE1-CG 4.34Å; F945-Y983 PolarHBondContact N-O 2.94Å; Y983-L1146 HydrophobicContact CD2-CD2 4.3Å; Y983-L1146 HydrophobicContact CE1-CD2 4.44Å; Y983-L1146 HydrophobicContact CE2-CD2 3.82Å
984	A	95.8	Very high	89.6	Confident	5 Å²	5	36.4 Å²	36.4	4%	0.041	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	136.4	172.4	0	0	0	0	0	110.5	F945 A977 F1008 C1009	F945-A984 HydrophobicContact CB-CB 4.29Å; F945-A984 HydrophobicContact CD1-CB 3.95Å; F945-A984 CarbonylContact O-C 3.54Å; F945-A984 WeakPolarHBondContact O-CA 3.5Å; A977-A984 HydrophobicContact CB-CB 3.95Å; A984-F1008 HydrophobicContact CB-CD1 3.61Å; A984-F1008 HydrophobicContact CB-CE1 3.58Å; A984-F1008 HydrophobicContact CB-CE2 4.46Å; A984-F1008 HydrophobicContact CB-CG 4.12Å; A984-F1008 HydrophobicContact CB-CZ 4.03Å; A984-F1008 CarbonylContact O-C 3.59Å; A984-F1008 WeakPolarHBondContact O-CA 3.46Å; A984-C1009 PolarHBondContact O-N 3.45Å
985	A	96.6	Very high	88.7	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.008	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	128.7	-177.3	0	0	0	0	0	111.7	F945 F946 T947 L987 C1009 W1018	F945-A985 PolarHBondContact O-N 3.43Å; F946-A985 WeakPolarHBondContact CA-O 3.4Å; F946-A985 HydrophobicContact CD1-CB 3.73Å; F946-A985 HydrophobicContact CE1-CB 3.9Å; T947-A985 PolarHBondContact N-O 3.03Å; A985-L987 HydrophobicContact CB-CD1 4.14Å; A985-C1009 CarbonylContact C-O 3.5Å; A985-C1009 WeakPolarHBondContact CA-O 3.48Å; A985-C1009 HydrophobicContact CB-CB 4.1Å; A985-W1018 HydrophobicContact CB-CH2 4.1Å; A985-W1018 HydrophobicContact CB-CZ3 3.88Å
986	I	96.5	Very high	88.5	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	121.9	172.6	-74.8	159.5	0	0	0	108.5	T947 R949 L953 F1008 C1009 Y1010 G1011	T947-I986 HydrophobicContact CG2-CG1 3.81Å; T947-I986 CarbonylContact O-C 3.57Å; T947-I986 VanDerWaalsContact O-CA 3.31Å; T947-I986 WeakPolarHBondContact O-CA 3.46Å; R949-I986 HydrophobicContact CB-CG2 3.81Å; L953-I986 HydrophobicContact CD1-CD1 4.04Å; L953-I986 HydrophobicContact CD1-CG1 3.99Å; I986-F1008 HydrophobicContact CD1-CB 4.19Å; I986-F1008 HydrophobicContact CD1-CD1 3.61Å; I986-F1008 HydrophobicContact CD1-CD2 4.47Å; I986-F1008 HydrophobicContact CD1-CE1 4.01Å; I986-F1008 HydrophobicContact CD1-CG 3.84Å; I986-F1008 HydrophobicContact CG1-CD1 3.56Å; I986-F1008 HydrophobicContact CG1-CE1 3.92Å; I986-F1008 HydrophobicContact CG1-CG 4.27Å; I986-C1009 PolarHBondContact N-O 2.67Å; I986-Y1010 HydrophobicContact CB-CD1 4.03Å; I986-Y1010 HydrophobicContact CB-CE1 4.33Å; I986-Y1010 HydrophobicContact CD1-CD1 4.38Å; I986-Y1010 HydrophobicContact CD1-CE1 3.81Å; I986-Y1010 HydrophobicContact CG2-CD1 4.32Å; I986-Y1010 WeakPolarHBondContact O-CA 3.49Å; I986-G1011 PolarHBondContact O-N 3.04Å
987	L	95.5	Very high	88.4	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	114.2	176.4	-71.2	84.8	0	0	0	110.3	F946 T947 A985 G1011 W1018 K1133 I1137 M1165	F946-L987 HydrophobicContact CB-CD1 4.34Å; F946-L987 HydrophobicContact CD1-CD1 3.8Å; T947-L987 PolarHBondContact O-N 3.47Å; A985-L987 HydrophobicContact CB-CD1 4.14Å; L987-G1011 WeakPolarHBondContact CA-O 3.29Å; L987-W1018 HydrophobicContact CD1-CH2 3.79Å; L987-W1018 HydrophobicContact CD1-CZ2 4.41Å; L987-W1018 HydrophobicContact CD2-CH2 4.11Å; L987-W1018 HydrophobicContact CD2-CZ2 3.89Å; L987-W1018 HydrophobicContact CG-CH2 3.81Å; L987-W1018 HydrophobicContact CG-CZ2 4Å; L987-K1133 HydrophobicContact CB-CD 4.29Å; L987-K1133 HydrophobicContact CD2-CB 4.32Å; L987-K1133 WeakPolarHBondContact O-CE 3.48Å; L987-K1133 PolarHBondContact O-NZ 2.96Å; L987-I1137 HydrophobicContact CD1-CG1 4.39Å; L987-I1137 HydrophobicContact CD2-CD1 4.38Å; L987-I1137 HydrophobicContact CD2-CG1 3.58Å; L987-M1165 HydrophobicContact CB-SD 3.91Å; L987-M1165 HydrophobicContact CD1-SD 4.27Å; L987-M1165 HydrophobicContact CD2-SD 4.12Å; L987-M1165 HydrophobicContact CG-SD 4.34Å
988	T	91.5	Very high	88.2	Confident	2 Å²	2	43 Å²	43	1%	0.012	21%	0.211	C	C	.	.			trans	-126.5	155.8	-175.1	178.3	0	0	0	0	111.4	A990 I997 G1011 S1013 I1014	T988-A990 HydrophobicContact CG2-CB 3.79Å; T988-A990 WeakPolarHBondContact OG1-CB 3.43Å; T988-A990 PolarHBondContact OG1-N 2.99Å; T988-A990 VanDerWaalsContact OG1-N 3.09Å; T988-I997 HydrophobicContact CG2-CB 4.02Å; T988-I997 HydrophobicContact CG2-CD1 4.02Å; T988-I997 HydrophobicContact CG2-CG1 3.92Å; T988-G1011 PolarHBondContact N-O 3Å; T988-S1013 PolarHBondContact O-N 3.47Å; T988-I1014 PolarHBondContact O-N 3.36Å
989	S	85.9	Confident	88.2	Confident	41 Å²	41	39.6 Å²	39.6	29%	0.287	19%	0.192	S	C	.	.	S	Bend	trans	-69.5	-20.4	167.2	52.1	0	0	0	0	112.5	H1068	S989-H1068 PolarHBondContact O-CE1 3.48Å; S989-H1068 PolarHBondContact O-ND1 3.41Å
990	A	86.6	Confident	88.4	Confident	3 Å²	3	35.5 Å²	35.5	3%	0.025	18%	0.177	C	C	.	.	S	Bend	trans	-58.1	149.1	-178.1	0	0	0	0	0	113.2	Y960 T988 A1012 S1013	Y960-A990 HydrophobicContact CE2-CB 3.52Å; Y960-A990 VanDerWaalsContact OH-CB 3.25Å; Y960-A990 WeakPolarHBondContact OH-CB 3.3Å; T988-A990 HydrophobicContact CG2-CB 3.79Å; T988-A990 WeakPolarHBondContact OG1-CB 3.43Å; T988-A990 PolarHBondContact OG1-N 2.99Å; T988-A990 VanDerWaalsContact OG1-N 3.09Å; A990-A1012 WeakPolarHBondContact O-CA 3.43Å; A990-A1012 WeakPolarHBondContact O-CB 3.11Å; A990-S1013 PolarHBondContact O-N 3.5Å
991	P	87.1	Confident	88.4	Confident	12 Å²	12	35.7 Å²	35.7	8%	0.078	18%	0.178	C	C	.	.			trans	-70.4	162.7	178.6	29.8	-30.9	0	0	0	111.4	G996 I997 H1068	P991-G996 CarbonylContact O-C 3.53Å; P991-G996 WeakPolarHBondContact O-CA 3.48Å; P991-I997 PolarHBondContact O-N 3.07Å; P991-H1068 WeakPolarHBondContact CD-ND1 3.46Å
992	L	85.5	Confident	88.5	Confident	10 Å²	10	35.3 Å²	35.3	5%	0.052	18%	0.176	C	C	.	.	S	Bend	trans	-79.4	-39	-179.5	-168.4	64.9	0	0	0	113.5	I997 L998 A1012 E1017	L992-I997 HydrophobicContact CD1-CG2 3.98Å; L992-L998 HydrophobicContact CD1-CD1 3.88Å; L992-L998 HydrophobicContact CD1-CD2 4.47Å; L992-L998 HydrophobicContact CD1-CG 3.94Å; L992-L998 HydrophobicContact CG-CD1 4.11Å; L992-A1012 HydrophobicContact CB-CB 3.65Å; L992-A1012 HydrophobicContact CD1-CB 3.71Å; L992-A1012 HydrophobicContact CG-CB 4.28Å; L992-E1017 HydrophobicContact CB-CB 4.27Å; L992-E1017 HydrophobicContact CD2-CB 4.11Å
993	L	77.1	Confident	88.5	Confident	106 Å²	106	30.6 Å²	30.6	56%	0.555	15%	0.154	S	C	*	.	S	Bend	trans	-126.8	172.4	-174.7	-64.3	173.3	0	0	0	110.3
994	N	71	Confident	88.3	Confident	151 Å²	151	28.3 Å²	28.3	81%	0.807	15%	0.149	S	C	*	.	S	Bend	trans	60.7	63.2	178.8	-60.1	-30.7	0	0	0	113.1
995	Y	75.1	Confident	87.8	Confident	127 Å²	127	32.2 Å²	32.2	50%	0.498	17%	0.169	S	C	.	.	S	Bend	trans	65	52.1	-165.1	-52.5	-72.9	0	0	0	110.2	F821 Y960 D999 M1000	F821-Y995 HydrophobicContact CE1-CD1 4.22Å; F821-Y995 HydrophobicContact CE1-CE1 4.33Å; F821-Y995 HydrophobicContact CE2-CD1 4.02Å; F821-Y995 AromaticContact CE2-CE1 3.58Å; F821-Y995 HydrophobicContact CE2-CE1 3.58Å; F821-Y995 AromaticContact CZ-CD1 3.38Å; F821-Y995 HydrophobicContact CZ-CD1 3.38Å; F821-Y995 AromaticContact CZ-CE1 3.39Å; F821-Y995 HydrophobicContact CZ-CE1 3.39Å; Y960-Y995 VanDerWaalsContact CE1-O 3.23Å; Y960-Y995 WeakPolarHBondContact CE1-O 3.35Å; Y995-D999 WeakPolarHBondContact CA-OD2 3.42Å; Y995-D999 PolarHBondContact N-OD2 3.45Å; Y995-M1000 HydrophobicContact CD1-CE 4.49Å
996	G	85.1	Confident	87.3	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.203	C	C	.	.			trans	-94.2	-173.9	179.3	0	0	0	0	0	113.3	Y960 P991 L998 D999 M1000	Y960-G996 VanDerWaalsContact OH-C 3.27Å; Y960-G996 PolarHBondContact OH-O 3.4Å; P991-G996 CarbonylContact O-C 3.53Å; P991-G996 WeakPolarHBondContact O-CA 3.48Å; G996-L998 PolarHBondContact O-N 3.46Å; G996-D999 PolarHBondContact N-OD2 3.43Å; G996-D999 WeakPolarHBondContact O-CB 3.31Å; G996-D999 PolarHBondContact O-N 3.38Å; G996-M1000 PolarHBondContact O-N 3.28Å
997	I	89.4	Confident	87.1	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-54.4	-39.5	175.8	-174.9	58.8	0	0	0	111.8	Y960 T988 P991 L992 D999 M1000 V1001 Y1010 A1012	Y960-I997 WeakPolarHBondContact OH-CA 3.29Å; Y960-I997 PolarHBondContact OH-N 3.17Å; T988-I997 HydrophobicContact CG2-CB 4.02Å; T988-I997 HydrophobicContact CG2-CD1 4.02Å; T988-I997 HydrophobicContact CG2-CG1 3.92Å; P991-I997 PolarHBondContact O-N 3.07Å; L992-I997 HydrophobicContact CD1-CG2 3.98Å; I997-D999 PolarHBondContact O-N 3.34Å; I997-M1000 PolarHBondContact O-N 2.92Å; I997-V1001 HydrophobicContact CD1-CG1 3.84Å; I997-V1001 HydrophobicContact CG1-CG1 4.1Å; I997-V1001 WeakPolarHBondContact O-CG1 3.45Å; I997-V1001 WeakPolarHBondContact O-CG2 3.36Å; I997-V1001 PolarHBondContact O-N 2.99Å; I997-V1001 VanDerWaalsContact O-N 3.07Å; I997-Y1010 HydrophobicContact CG1-CD1 3.89Å; I997-A1012 HydrophobicContact CG2-CB 4.06Å
998	L	90.2	Very high	87.1	Confident	35 Å²	35	38.5 Å²	38.5	18%	0.183	22%	0.215	C	C	.	.	H	α-helix	trans	-66.2	-19.2	178.2	-58.5	-178.1	0	0	0	113.2	R828 L992 G996 Y1010 Y1019	R828-L998 PolarHBondContact NH2-O 3.42Å; L992-L998 HydrophobicContact CD1-CD1 3.88Å; L992-L998 HydrophobicContact CD1-CD2 4.47Å; L992-L998 HydrophobicContact CD1-CG 3.94Å; L992-L998 HydrophobicContact CG-CD1 4.11Å; G996-L998 PolarHBondContact O-N 3.46Å; L998-Y1010 HydrophobicContact CD2-CD2 3.76Å; L998-Y1010 HydrophobicContact CD2-CE2 4.27Å; L998-Y1010 HydrophobicContact CD2-CG 4.1Å; L998-Y1019 HydrophobicContact CD1-CD1 4.22Å; L998-Y1019 HydrophobicContact CD1-CD2 3.75Å; L998-Y1019 HydrophobicContact CD1-CE2 4.12Å; L998-Y1019 HydrophobicContact CD1-CG 3.79Å; L998-Y1019 HydrophobicContact CD2-CD1 3.68Å; L998-Y1019 HydrophobicContact CD2-CE1 4.12Å; L998-Y1019 HydrophobicContact CD2-CG 3.97Å
999	D	88.5	Confident	87.2	Confident	47 Å²	47	39 Å²	39	25%	0.251	22%	0.218	S	C	.	.	H	α-helix	trans	-86.9	-16.1	173.9	-67.8	-60.7	0	0	0	112.6	R824 Y995 G996 I997	R824-D999 WeakPolarHBondContact CD-O 3.43Å; R824-D999 PolarHBondContact NH1-O 2.93Å; R824-D999 IonicContact NH1-OD1 2.67Å; Y995-D999 WeakPolarHBondContact CA-OD2 3.42Å; Y995-D999 PolarHBondContact N-OD2 3.45Å; G996-D999 PolarHBondContact N-OD2 3.43Å; G996-D999 WeakPolarHBondContact O-CB 3.31Å; G996-D999 PolarHBondContact O-N 3.38Å; I997-D999 PolarHBondContact O-N 3.34Å
1000	M	90.2	Very high	87.7	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-106.3	-24.4	-173.8	-59.1	-57.6	152.2	0	0	113	F821 R949 Y960 I964 E965 Y995 G996 I997	F821-M1000 HydrophobicContact CE1-CE 4.21Å; F821-M1000 HydrophobicContact CZ-CE 4.07Å; R949-M1000 VanDerWaalsContact NH2-CB 3.26Å; R949-M1000 PolarHBondContact NH2-O 3.36Å; R949-M1000 VanDerWaalsContact NH2-O 3.13Å; Y960-M1000 HydrophobicContact CD1-CE 4.49Å; Y960-M1000 HydrophobicContact CE1-CE 4.11Å; Y960-M1000 HydrophobicContact CE1-CG 3.84Å; Y960-M1000 WeakPolarHBondContact OH-CG 3.39Å; I964-M1000 HydrophobicContact CD1-SD 3.67Å; E965-M1000 PolarHBondContact N-O 3.38Å; Y995-M1000 HydrophobicContact CD1-CE 4.49Å; G996-M1000 PolarHBondContact O-N 3.28Å; I997-M1000 PolarHBondContact O-N 2.92Å
1001	V	93.1	Very high	88.2	Confident	5 Å²	5	37 Å²	37	3%	0.03	20%	0.204	C	C	.	.			trans	-76.7	145.7	175.5	-61.3	0	0	0	0	111.7	R828 E965 I997 Y1010	R828-V1001 PolarHBondContact NE-O 3.35Å; R828-V1001 VanDerWaalsContact NE-O 3.08Å; R828-V1001 PolarHBondContact NH2-O 2.94Å; E965-V1001 WeakPolarHBondContact OE2-CA 3.48Å; I997-V1001 HydrophobicContact CD1-CG1 3.84Å; I997-V1001 HydrophobicContact CG1-CG1 4.1Å; I997-V1001 WeakPolarHBondContact O-CG1 3.45Å; I997-V1001 WeakPolarHBondContact O-CG2 3.36Å; I997-V1001 PolarHBondContact O-N 2.99Å; I997-V1001 VanDerWaalsContact O-N 3.07Å; V1001-Y1010 HydrophobicContact CB-CE1 4.36Å; V1001-Y1010 HydrophobicContact CG1-CD1 4.46Å; V1001-Y1010 HydrophobicContact CG1-CE1 3.69Å; V1001-Y1010 HydrophobicContact CG2-CE1 4.33Å
1002	V	94.3	Very high	88.5	Confident	2 Å²	2	36.5 Å²	36.5	1%	0.012	20%	0.2	C	C	.	.			trans	-110.9	-8.1	177.8	-58.5	0	0	0	0	112.6	R824 R827 R828 V831 I964 E965 A970	R824-V1002 HydrophobicContact CG-CG1 3.94Å; R827-V1002 HydrophobicContact CB-CB 4.21Å; R827-V1002 HydrophobicContact CB-CG1 3.77Å; R827-V1002 HydrophobicContact CB-CG2 4.42Å; R828-V1002 HydrophobicContact CG-CB 3.79Å; R828-V1002 HydrophobicContact CG-CG1 4.08Å; V831-V1002 HydrophobicContact CG2-CG2 3.87Å; I964-V1002 HydrophobicContact CG2-CG1 4.11Å; E965-V1002 HydrophobicContact CB-CG1 4.33Å; E965-V1002 HydrophobicContact CB-CG2 3.95Å; E965-V1002 HydrophobicContact CG-CG2 3.87Å; E965-V1002 VanDerWaalsContact O-CG1 3.29Å; E965-V1002 WeakPolarHBondContact O-CG1 3.29Å; E965-V1002 WeakPolarHBondContact O-CG2 3.31Å; E965-V1002 PolarHBondContact OE2-N 3.23Å; A970-V1002 HydrophobicContact CB-CG2 3.41Å; A970-V1002 VanDerWaalsContact CB-CG2 3.41Å
1003	L	91.3	Very high	88.8	Confident	11 Å²	11	36 Å²	36	6%	0.058	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-62.4	136.3	172.3	-80.1	168.8	0	0	0	112.7	V831 A970 Q973 A974 F1008	V831-L1003 HydrophobicContact CG1-CD2 4.34Å; A970-L1003 HydrophobicContact CB-CD2 4.04Å; A970-L1003 HydrophobicContact CB-CG 3.9Å; A970-L1003 WeakPolarHBondContact O-CD2 3.46Å; Q973-L1003 HydrophobicContact CB-CD1 4.21Å; A974-L1003 HydrophobicContact CB-CD2 3.63Å; L1003-F1008 HydrophobicContact CD1-CD2 3.77Å; L1003-F1008 HydrophobicContact CD1-CE2 4.1Å
1004	P	87.2	Confident	89.4	Confident	35 Å²	35	32 Å²	32	23%	0.227	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-64.2	162.3	165.9	-20.3	32.6	0	0	0	112.8	D832 Y1007	D832-P1004 HydrophobicContact CB-CG 4.5Å; P1004-Y1007 HydrophobicContact CB-CE2 4.36Å
1005	D	86.6	Confident	90.4	Very high	87 Å²	87	24.8 Å²	24.8	47%	0.465	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	149.8	172.1	-71.3	-2.5	0	0	0	111.6	Y1019	D1005-Y1019 PolarHBondContact OD2-OH 3.46Å
1006	G	86.6	Confident	91.3	Very high	69 Å²	69	19.3 Å²	19.3	71%	0.711	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	100.5	-10.5	173.1	0	0	0	0	0	115.7
1007	Y	90.9	Very high	91.6	Very high	59 Å²	59	19.9 Å²	19.9	23%	0.231	12%	0.119	C	C	.	.	S	Bend	trans	-92.6	-43.4	176.3	-65.5	-84.1	0	0	0	112.9	V835 A974 N978 P1004	V835-Y1007 HydrophobicContact CG1-CE1 4.21Å; V835-Y1007 HydrophobicContact CG1-CE2 4.16Å; V835-Y1007 WeakPolarHBondContact CG1-OH 3.5Å; A974-Y1007 HydrophobicContact CB-CD1 3.66Å; A974-Y1007 HydrophobicContact CB-CE1 3.87Å; A974-Y1007 HydrophobicContact CB-CG 4.04Å; A974-Y1007 WeakPolarHBondContact O-CD1 3.44Å; N978-Y1007 HydrophobicContact CB-CD1 4.39Å; N978-Y1007 HydrophobicContact CB-CE1 4.14Å; P1004-Y1007 HydrophobicContact CB-CE2 4.36Å
1008	F	95.1	Very high	91.9	Very high	6 Å²	6	19.9 Å²	19.9	3%	0.026	12%	0.119	C	C	.	.			trans	-131.9	142.6	-178.9	-78.5	-97.9	0	0	0	111.5	F945 T947 Q973 A977 A984 I986 L1003 Y1010	F945-F1008 AromaticContact CD1-CE1 3.99Å; F945-F1008 HydrophobicContact CD1-CE1 3.99Å; F945-F1008 HydrophobicContact CD1-CZ 4.26Å; F945-F1008 AromaticContact CE1-CE1 3.82Å; F945-F1008 HydrophobicContact CE1-CE1 3.82Å; F945-F1008 AromaticContact CE1-CZ 3.92Å; F945-F1008 HydrophobicContact CE1-CZ 3.92Å; T947-F1008 HydrophobicContact CG2-CE1 4.3Å; Q973-F1008 HydrophobicContact CB-CE2 3.86Å; Q973-F1008 HydrophobicContact CB-CZ 4.17Å; A977-F1008 HydrophobicContact CB-CD2 4.23Å; A977-F1008 HydrophobicContact CB-CE2 3.66Å; A977-F1008 HydrophobicContact CB-CZ 4.08Å; A984-F1008 HydrophobicContact CB-CD1 3.61Å; A984-F1008 HydrophobicContact CB-CE1 3.58Å; A984-F1008 HydrophobicContact CB-CE2 4.46Å; A984-F1008 HydrophobicContact CB-CG 4.12Å; A984-F1008 HydrophobicContact CB-CZ 4.03Å; A984-F1008 CarbonylContact O-C 3.59Å; A984-F1008 WeakPolarHBondContact O-CA 3.46Å; I986-F1008 HydrophobicContact CD1-CB 4.19Å; I986-F1008 HydrophobicContact CD1-CD1 3.61Å; I986-F1008 HydrophobicContact CD1-CD2 4.47Å; I986-F1008 HydrophobicContact CD1-CE1 4.01Å; I986-F1008 HydrophobicContact CD1-CG 3.84Å; I986-F1008 HydrophobicContact CG1-CD1 3.56Å; I986-F1008 HydrophobicContact CG1-CE1 3.92Å; I986-F1008 HydrophobicContact CG1-CG 4.27Å; L1003-F1008 HydrophobicContact CD1-CD2 3.77Å; L1003-F1008 HydrophobicContact CD1-CE2 4.1Å; F1008-Y1010 HydrophobicContact CB-CE1 4.22Å; F1008-Y1010 HydrophobicContact CB-CE2 4.37Å; F1008-Y1010 WeakPolarHBondContact O-CE2 3.46Å
1009	C	95.4	Very high	92.1	Very high	12 Å²	12	20 Å²	20	8%	0.081	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	145.4	160.8	-56.6	0	0	0	0	109.1	A984 A985 I986 W1018 I1020 F1140	A984-C1009 PolarHBondContact O-N 3.45Å; A985-C1009 CarbonylContact C-O 3.5Å; A985-C1009 WeakPolarHBondContact CA-O 3.48Å; A985-C1009 HydrophobicContact CB-CB 4.1Å; I986-C1009 PolarHBondContact N-O 2.67Å; C1009-W1018 HydrophobicContact CB-CE3 4.28Å; C1009-W1018 HydrophobicContact CB-CZ3 4.08Å; C1009-I1020 HydrophobicContact CB-CD1 3.86Å; C1009-F1140 HydrophobicContact CB-CE2 4.06Å; C1009-F1140 HydrophobicContact CB-CZ 4.38Å
1010	Y	95.9	Very high	92.2	Very high	4 Å²	4	18.7 Å²	18.7	2%	0.016	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	112.4	-178.6	-59.8	-81.4	0	0	0	111	I986 I997 L998 V1001 F1008 W1018 Y1019	I986-Y1010 HydrophobicContact CB-CD1 4.03Å; I986-Y1010 HydrophobicContact CB-CE1 4.33Å; I986-Y1010 HydrophobicContact CD1-CD1 4.38Å; I986-Y1010 HydrophobicContact CD1-CE1 3.81Å; I986-Y1010 HydrophobicContact CG2-CD1 4.32Å; I986-Y1010 WeakPolarHBondContact O-CA 3.49Å; I997-Y1010 HydrophobicContact CG1-CD1 3.89Å; L998-Y1010 HydrophobicContact CD2-CD2 3.76Å; L998-Y1010 HydrophobicContact CD2-CE2 4.27Å; L998-Y1010 HydrophobicContact CD2-CG 4.1Å; V1001-Y1010 HydrophobicContact CB-CE1 4.36Å; V1001-Y1010 HydrophobicContact CG1-CD1 4.46Å; V1001-Y1010 HydrophobicContact CG1-CE1 3.69Å; V1001-Y1010 HydrophobicContact CG2-CE1 4.33Å; F1008-Y1010 HydrophobicContact CB-CE1 4.22Å; F1008-Y1010 HydrophobicContact CB-CE2 4.37Å; F1008-Y1010 WeakPolarHBondContact O-CE2 3.46Å; Y1010-W1018 WeakPolarHBondContact O-CA 3.21Å; Y1010-Y1019 HydrophobicContact CD2-CD1 4.08Å; Y1010-Y1019 PolarHBondContact N-O 3.07Å; Y1010-Y1019 PolarHBondContact O-N 3.16Å
1011	G	95.7	Very high	92	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	92.8	169.5	0	0	0	0	0	110.5	I986 L987 T988 E1017	I986-G1011 PolarHBondContact O-N 3.04Å; L987-G1011 WeakPolarHBondContact CA-O 3.29Å; T988-G1011 PolarHBondContact N-O 3Å; G1011-E1017 CarbonylContact C-O 3.55Å; G1011-E1017 WeakPolarHBondContact CA-O 3.35Å
1012	A	93.6	Very high	91.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	166.3	177.1	0	0	0	0	0	112	A990 L992 I997 I1014 G1015 R1016 E1017	A990-A1012 WeakPolarHBondContact O-CA 3.43Å; A990-A1012 WeakPolarHBondContact O-CB 3.11Å; L992-A1012 HydrophobicContact CB-CB 3.65Å; L992-A1012 HydrophobicContact CD1-CB 3.71Å; L992-A1012 HydrophobicContact CG-CB 4.28Å; I997-A1012 HydrophobicContact CG2-CB 4.06Å; A1012-I1014 VanDerWaalsContact C-N 3.3Å; A1012-I1014 PolarHBondContact O-N 3.13Å; A1012-G1015 CarbonylContact O-C 3.5Å; A1012-G1015 WeakPolarHBondContact O-CA 3.28Å; A1012-G1015 PolarHBondContact O-N 3.4Å; A1012-R1016 PolarHBondContact O-N 2.94Å; A1012-R1016 VanDerWaalsContact O-N 3.1Å; A1012-E1017 HydrophobicContact CB-CB 4.41Å; A1012-E1017 PolarHBondContact N-O 2.9Å; A1012-E1017 PolarHBondContact O-N 3.29Å; A1012-E1017 VanDerWaalsContact O-N 3.14Å
1013	S	91.6	Very high	90.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	53.9	46.2	179.2	-57.2	0	0	0	0	111.7	T988 A990 G1015 R1016 E1017 Y1069	T988-S1013 PolarHBondContact O-N 3.47Å; A990-S1013 PolarHBondContact O-N 3.5Å; S1013-G1015 PolarHBondContact O-N 3.44Å; S1013-R1016 PolarHBondContact O-N 3.43Å; S1013-E1017 PolarHBondContact OG-OE2 3.04Å; S1013-Y1069 WeakPolarHBondContact CB-O 3.46Å; S1013-Y1069 PolarHBondContact OG-N 3.35Å
1014	I	90.8	Very high	90.6	Very high	22 Å²	22	32.9 Å²	32.9	11%	0.113	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	67.1	22.8	-177	-45.4	171.4	0	0	0	111.5	T988 A1012 F1131 K1133	T988-I1014 PolarHBondContact O-N 3.36Å; A1012-I1014 VanDerWaalsContact C-N 3.3Å; A1012-I1014 PolarHBondContact O-N 3.13Å; I1014-F1131 WeakPolarHBondContact O-CE1 3.45Å; I1014-K1133 HydrophobicContact CG2-CB 4.4Å; I1014-K1133 HydrophobicContact CG2-CG 3.6Å
1015	G	92.7	Very high	90.8	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	84.6	18.3	-177.9	0	0	0	0	0	114.5	A1012 S1013 W1018 G1136	A1012-G1015 CarbonylContact O-C 3.5Å; A1012-G1015 WeakPolarHBondContact O-CA 3.28Å; A1012-G1015 PolarHBondContact O-N 3.4Å; S1013-G1015 PolarHBondContact O-N 3.44Å; G1015-W1018 PolarHBondContact O-NE1 2.94Å; G1015-G1136 WeakPolarHBondContact O-CA 3.19Å
1016	R	92.4	Very high	91.1	Very high	11 Å²	11	35.8 Å²	35.8	4%	0.042	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-19.5	169.6	-68.7	-173.2	-176.8	-103.6	20.7	113	A1012 S1013 K1027 D1028 Y1069 F1131	A1012-R1016 PolarHBondContact O-N 2.94Å; A1012-R1016 VanDerWaalsContact O-N 3.1Å; S1013-R1016 PolarHBondContact O-N 3.43Å; R1016-K1027 CarbonylContact O-C 3.54Å; R1016-K1027 VanDerWaalsContact O-CA 3.27Å; R1016-K1027 WeakPolarHBondContact O-CA 3.46Å; R1016-D1028 HydrophobicContact CB-CB 4.03Å; R1016-D1028 HydrophobicContact CG-CB 4.26Å; R1016-D1028 IonicContact CZ-OD2 2.74Å; R1016-D1028 IonicContact NH1-OD2 3.34Å; R1016-D1028 PolarHBondContact NH1-OD2 3.33Å; R1016-D1028 PolarHBondContact O-N 2.9Å; R1016-Y1069 HydrophobicContact CB-CD1 3.97Å; R1016-Y1069 WeakPolarHBondContact CD-O 3.4Å; R1016-F1131 HydrophobicContact CB-CE1 4.38Å; R1016-F1131 HydrophobicContact CG-CD1 3.5Å; R1016-F1131 VanDerWaalsContact CG-CD1 3.5Å; R1016-F1131 HydrophobicContact CG-CD2 4.12Å; R1016-F1131 HydrophobicContact CG-CE1 3.4Å; R1016-F1131 VanDerWaalsContact CG-CE1 3.4Å; R1016-F1131 HydrophobicContact CG-CE2 4.03Å; R1016-F1131 HydrophobicContact CG-CG 3.88Å; R1016-F1131 HydrophobicContact CG-CZ 3.68Å
1017	E	93	Very high	91.3	Very high	13 Å²	13	36.7 Å²	36.7	6%	0.061	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	128.4	177.2	-58.7	178.9	101.5	0	0	109.3	L992 G1011 A1012 S1013 K1027 Y1069	L992-E1017 HydrophobicContact CB-CB 4.27Å; L992-E1017 HydrophobicContact CD2-CB 4.11Å; G1011-E1017 CarbonylContact C-O 3.55Å; G1011-E1017 WeakPolarHBondContact CA-O 3.35Å; A1012-E1017 HydrophobicContact CB-CB 4.41Å; A1012-E1017 PolarHBondContact N-O 2.9Å; A1012-E1017 PolarHBondContact O-N 3.29Å; A1012-E1017 VanDerWaalsContact O-N 3.14Å; S1013-E1017 PolarHBondContact OG-OE2 3.04Å; E1017-K1027 HydrophobicContact CB-CG 4.36Å; E1017-K1027 HydrophobicContact CG-CB 4.41Å; E1017-K1027 HydrophobicContact CG-CD 3.97Å; E1017-K1027 HydrophobicContact CG-CG 3.95Å; E1017-K1027 WeakPolarHBondContact OE1-CD 3.47Å; E1017-K1027 WeakPolarHBondContact OE1-CE 3.45Å; E1017-K1027 IonicContact OE1-NZ 2.66Å; E1017-K1027 PolarHBondContact OE1-NZ 3.41Å; E1017-Y1069 HydrophobicContact CG-CD1 3.6Å; E1017-Y1069 HydrophobicContact CG-CE1 4.47Å; E1017-Y1069 HydrophobicContact CG-CG 3.72Å; E1017-Y1069 WeakPolarHBondContact OE2-CB 3.47Å
1018	W	95.1	Very high	91.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	130.3	-177.3	-75.8	86.3	0	0	0	111	A985 L987 C1009 Y1010 G1015 I1020 K1025 F1026 G1136 F1140	A985-W1018 HydrophobicContact CB-CH2 4.1Å; A985-W1018 HydrophobicContact CB-CZ3 3.88Å; L987-W1018 HydrophobicContact CD1-CH2 3.79Å; L987-W1018 HydrophobicContact CD1-CZ2 4.41Å; L987-W1018 HydrophobicContact CD2-CH2 4.11Å; L987-W1018 HydrophobicContact CD2-CZ2 3.89Å; L987-W1018 HydrophobicContact CG-CH2 3.81Å; L987-W1018 HydrophobicContact CG-CZ2 4Å; C1009-W1018 HydrophobicContact CB-CE3 4.28Å; C1009-W1018 HydrophobicContact CB-CZ3 4.08Å; Y1010-W1018 WeakPolarHBondContact O-CA 3.21Å; G1015-W1018 PolarHBondContact O-NE1 2.94Å; W1018-I1020 HydrophobicContact CB-CD1 4.46Å; W1018-I1020 HydrophobicContact CE3-CD1 4.28Å; W1018-K1025 VanDerWaalsContact O-CA 3.24Å; W1018-K1025 WeakPolarHBondContact O-CA 3.47Å; W1018-F1026 HydrophobicContact CB-CD1 4.04Å; W1018-F1026 HydrophobicContact CB-CD2 3.91Å; W1018-F1026 HydrophobicContact CB-CE1 3.64Å; W1018-F1026 HydrophobicContact CB-CE2 3.5Å; W1018-F1026 HydrophobicContact CB-CG 4.17Å; W1018-F1026 HydrophobicContact CB-CZ 3.36Å; W1018-F1026 AromaticContact CD1-CE2 3.44Å; W1018-F1026 VanDerWaalsContact CD1-CE2 3.44Å; W1018-F1026 AromaticContact CD1-CZ 3.93Å; W1018-F1026 HydrophobicContact CD2-CE2 4.5Å; W1018-F1026 HydrophobicContact CD2-CZ 4.24Å; W1018-F1026 HydrophobicContact CG-CD2 4.29Å; W1018-F1026 HydrophobicContact CG-CE1 4.31Å; W1018-F1026 AromaticContact CG-CE2 3.52Å; W1018-F1026 HydrophobicContact CG-CE2 3.52Å; W1018-F1026 AromaticContact CG-CZ 3.54Å; W1018-F1026 HydrophobicContact CG-CZ 3.54Å; W1018-F1026 PolarHBondContact N-O 3.45Å; W1018-F1026 PolarHBondContact O-N 3.19Å; W1018-G1136 WeakPolarHBondContact CZ2-O 3.44Å; W1018-G1136 PolarHBondContact NE1-O 3.09Å; W1018-F1140 HydrophobicContact CD2-CB 4.03Å; W1018-F1140 AromaticContact CD2-CD2 3.76Å; W1018-F1140 HydrophobicContact CD2-CD2 3.76Å; W1018-F1140 HydrophobicContact CD2-CG 4.25Å; W1018-F1140 HydrophobicContact CE3-CB 4.32Å; W1018-F1140 AromaticContact CE3-CD2 3.36Å; W1018-F1140 HydrophobicContact CE3-CD2 3.36Å; W1018-F1140 AromaticContact CE3-CE2 3.9Å; W1018-F1140 HydrophobicContact CE3-CE2 3.9Å; W1018-F1140 HydrophobicContact CE3-CG 4.06Å; W1018-F1140 HydrophobicContact CH2-CB 3.75Å; W1018-F1140 HydrophobicContact CH2-CD1 4.29Å; W1018-F1140 AromaticContact CH2-CD2 3.87Å; W1018-F1140 HydrophobicContact CH2-CD2 3.87Å; W1018-F1140 AromaticContact CH2-CG 3.72Å; W1018-F1140 HydrophobicContact CH2-CG 3.72Å; W1018-F1140 HydrophobicContact CZ2-CB 3.46Å; W1018-F1140 VanDerWaalsContact CZ2-CB 3.46Å; W1018-F1140 HydrophobicContact CZ2-CD2 4.27Å; W1018-F1140 AromaticContact CZ2-CG 3.98Å; W1018-F1140 HydrophobicContact CZ2-CG 3.98Å; W1018-F1140 HydrophobicContact CZ3-CB 4.18Å; W1018-F1140 HydrophobicContact CZ3-CD1 4.45Å; W1018-F1140 AromaticContact CZ3-CD2 3.41Å; W1018-F1140 HydrophobicContact CZ3-CD2 3.41Å; W1018-F1140 VanDerWaalsContact CZ3-CD2 3.41Å; W1018-F1140 AromaticContact CZ3-CE2 3.82Å; W1018-F1140 HydrophobicContact CZ3-CE2 3.82Å; W1018-F1140 AromaticContact CZ3-CG 3.78Å; W1018-F1140 HydrophobicContact CZ3-CG 3.78Å; W1018-F1140 HydrophobicContact CZ3-CZ 4.49Å
1019	Y	94.2	Very high	90.8	Very high	37 Å²	37	42.2 Å²	42.2	15%	0.145	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	116.5	166.7	-179.6	-88.3	0	0	0	108.7	L998 D1005 Y1010 D1021 A1022	L998-Y1019 HydrophobicContact CD1-CD1 4.22Å; L998-Y1019 HydrophobicContact CD1-CD2 3.75Å; L998-Y1019 HydrophobicContact CD1-CE2 4.12Å; L998-Y1019 HydrophobicContact CD1-CG 3.79Å; L998-Y1019 HydrophobicContact CD2-CD1 3.68Å; L998-Y1019 HydrophobicContact CD2-CE1 4.12Å; L998-Y1019 HydrophobicContact CD2-CG 3.97Å; D1005-Y1019 PolarHBondContact OD2-OH 3.46Å; Y1010-Y1019 HydrophobicContact CD2-CD1 4.08Å; Y1010-Y1019 PolarHBondContact N-O 3.07Å; Y1010-Y1019 PolarHBondContact O-N 3.16Å; Y1019-D1021 WeakPolarHBondContact CE2-O 3.23Å; Y1019-D1021 VanDerWaalsContact CZ-C 3.44Å; Y1019-A1022 PolarHBondContact OH-N 3.42Å
1020	I	91.3	Very high	90.3	Very high	19 Å²	19	44 Å²	44	10%	0.097	23%	0.225	C	C	.	.			trans	-95.8	-51.5	177	-49.1	-52	0	0	0	108.7	C1009 W1018 K1024 F1026 F1140 M1144	C1009-I1020 HydrophobicContact CB-CD1 3.86Å; W1018-I1020 HydrophobicContact CB-CD1 4.46Å; W1018-I1020 HydrophobicContact CE3-CD1 4.28Å; I1020-K1024 HydrophobicContact CB-CB 4.15Å; I1020-K1024 HydrophobicContact CB-CG 4.42Å; I1020-K1024 WeakPolarHBondContact CB-O 3.22Å; I1020-K1024 HydrophobicContact CG1-CB 4.36Å; I1020-K1024 HydrophobicContact CG1-CD 4.32Å; I1020-K1024 HydrophobicContact CG1-CG 4.08Å; I1020-K1024 PolarHBondContact N-O 3.34Å; I1020-F1026 HydrophobicContact CD1-CE1 3.98Å; I1020-F1026 HydrophobicContact CG1-CE1 3.96Å; I1020-F1140 HydrophobicContact CD1-CD2 4.11Å; I1020-F1140 HydrophobicContact CD1-CE2 3.62Å; I1020-M1144 HydrophobicContact CD1-SD 4.21Å; I1020-M1144 HydrophobicContact CG1-CE 4.5Å; I1020-M1144 HydrophobicContact CG1-SD 4.02Å; I1020-M1144 HydrophobicContact CG2-CE 4.1Å
1021	D	85.1	Confident	89.7	Confident	55 Å²	55	44.7 Å²	44.7	29%	0.294	23%	0.228	S	C	.	.	S	Bend	trans	-160	-178.6	176.3	59.6	48.4	0	0	0	109.4	Y1019 T1023 K1024	Y1019-D1021 WeakPolarHBondContact CE2-O 3.23Å; Y1019-D1021 VanDerWaalsContact CZ-C 3.44Å; D1021-T1023 PolarHBondContact O-N 3.33Å; D1021-T1023 VanDerWaalsContact OD1-CA 3.24Å; D1021-T1023 WeakPolarHBondContact OD1-CA 3.32Å; D1021-T1023 WeakPolarHBondContact OD1-CB 3.41Å; D1021-T1023 PolarHBondContact OD1-N 3.19Å; D1021-T1023 PolarHBondContact OD1-OG1 3.22Å; D1021-K1024 PolarHBondContact N-O 3.02Å; D1021-K1024 PolarHBondContact O-N 2.94Å; D1021-K1024 PolarHBondContact OD1-N 3.04Å
1022	A	79.5	Confident	89.2	Confident	73 Å²	73	46.7 Å²	46.7	60%	0.603	24%	0.242	S	C	*	.	S	Bend	trans	-58.3	-17.3	178.7	0	0	0	0	0	115.3	Y1019	Y1019-A1022 PolarHBondContact OH-N 3.42Å
1023	T	81.7	Confident	88.8	Confident	112 Å²	112	55.1 Å²	55.1	69%	0.687	28%	0.282	S	S	*	.	S	Bend	trans	-101.3	-32.3	-179.2	72.5	0	0	0	0	113.2	D1021	D1021-T1023 PolarHBondContact O-N 3.33Å; D1021-T1023 VanDerWaalsContact OD1-CA 3.24Å; D1021-T1023 WeakPolarHBondContact OD1-CA 3.32Å; D1021-T1023 WeakPolarHBondContact OD1-CB 3.41Å; D1021-T1023 PolarHBondContact OD1-N 3.19Å; D1021-T1023 PolarHBondContact OD1-OG1 3.22Å
1024	K	88.2	Confident	88.6	Confident	77 Å²	77	61 Å²	61	34%	0.335	31%	0.307	S	S	.	.			trans	-118.7	107.9	-176.4	-169.8	171.4	-174.6	179.5	0	111.3	I1020 D1021 E1143 M1144	I1020-K1024 HydrophobicContact CB-CB 4.15Å; I1020-K1024 HydrophobicContact CB-CG 4.42Å; I1020-K1024 WeakPolarHBondContact CB-O 3.22Å; I1020-K1024 HydrophobicContact CG1-CB 4.36Å; I1020-K1024 HydrophobicContact CG1-CD 4.32Å; I1020-K1024 HydrophobicContact CG1-CG 4.08Å; I1020-K1024 PolarHBondContact N-O 3.34Å; D1021-K1024 PolarHBondContact N-O 3.02Å; D1021-K1024 PolarHBondContact O-N 2.94Å; D1021-K1024 PolarHBondContact OD1-N 3.04Å; K1024-E1143 PolarHBondContact NZ-O 2.8Å; K1024-M1144 HydrophobicContact CD-SD 3.82Å; K1024-M1144 WeakPolarHBondContact CE-SD 3.02Å; K1024-M1144 PolarHBondContact NZ-SD 2.84Å
1025	K	91	Very high	88.5	Confident	163 Å²	163	60.1 Å²	60.1	71%	0.709	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.9	141.8	169	64.1	-174.3	178.6	-175.5	0	109.6	W1018	W1018-K1025 VanDerWaalsContact O-CA 3.24Å; W1018-K1025 WeakPolarHBondContact O-CA 3.47Å
1026	F	93.3	Very high	88.2	Confident	20 Å²	20	62.1 Å²	62.1	9%	0.088	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	160.6	177.6	58.4	-89.7	0	0	0	110.5	W1018 I1020 L1139 F1140 E1143 M1144	W1018-F1026 HydrophobicContact CB-CD1 4.04Å; W1018-F1026 HydrophobicContact CB-CD2 3.91Å; W1018-F1026 HydrophobicContact CB-CE1 3.64Å; W1018-F1026 HydrophobicContact CB-CE2 3.5Å; W1018-F1026 HydrophobicContact CB-CG 4.17Å; W1018-F1026 HydrophobicContact CB-CZ 3.36Å; W1018-F1026 AromaticContact CD1-CE2 3.44Å; W1018-F1026 VanDerWaalsContact CD1-CE2 3.44Å; W1018-F1026 AromaticContact CD1-CZ 3.93Å; W1018-F1026 HydrophobicContact CD2-CE2 4.5Å; W1018-F1026 HydrophobicContact CD2-CZ 4.24Å; W1018-F1026 HydrophobicContact CG-CD2 4.29Å; W1018-F1026 HydrophobicContact CG-CE1 4.31Å; W1018-F1026 AromaticContact CG-CE2 3.52Å; W1018-F1026 HydrophobicContact CG-CE2 3.52Å; W1018-F1026 AromaticContact CG-CZ 3.54Å; W1018-F1026 HydrophobicContact CG-CZ 3.54Å; W1018-F1026 PolarHBondContact N-O 3.45Å; W1018-F1026 PolarHBondContact O-N 3.19Å; I1020-F1026 HydrophobicContact CD1-CE1 3.98Å; I1020-F1026 HydrophobicContact CG1-CE1 3.96Å; F1026-L1139 HydrophobicContact CE2-CG 4.2Å; F1026-F1140 HydrophobicContact CZ-CD2 4.08Å; F1026-E1143 HydrophobicContact CD1-CB 4.25Å; F1026-E1143 HydrophobicContact CD2-CB 3.88Å; F1026-E1143 HydrophobicContact CD2-CG 3.66Å; F1026-E1143 HydrophobicContact CE1-CB 3.99Å; F1026-E1143 HydrophobicContact CE2-CB 3.59Å; F1026-E1143 HydrophobicContact CE2-CG 3.72Å; F1026-E1143 HydrophobicContact CG-CB 4.19Å; F1026-E1143 HydrophobicContact CG-CG 4.2Å; F1026-E1143 HydrophobicContact CZ-CB 3.64Å; F1026-E1143 HydrophobicContact CZ-CG 4.31Å; F1026-M1144 HydrophobicContact CE1-SD 4.38Å
1027	K	91.2	Very high	88.1	Confident	88 Å²	88	63.9 Å²	63.9	38%	0.383	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	156.4	179.9	-53.4	-170.2	-177.6	-158.6	0	109.7	R1016 E1017 K1029 Y1069	R1016-K1027 CarbonylContact O-C 3.54Å; R1016-K1027 VanDerWaalsContact O-CA 3.27Å; R1016-K1027 WeakPolarHBondContact O-CA 3.46Å; E1017-K1027 HydrophobicContact CB-CG 4.36Å; E1017-K1027 HydrophobicContact CG-CB 4.41Å; E1017-K1027 HydrophobicContact CG-CD 3.97Å; E1017-K1027 HydrophobicContact CG-CG 3.95Å; E1017-K1027 WeakPolarHBondContact OE1-CD 3.47Å; E1017-K1027 WeakPolarHBondContact OE1-CE 3.45Å; E1017-K1027 IonicContact OE1-NZ 2.66Å; E1017-K1027 PolarHBondContact OE1-NZ 3.41Å; K1027-K1029 PolarHBondContact O-N 3.11Å; K1027-Y1069 HydrophobicContact CB-CE1 3.99Å; K1027-Y1069 HydrophobicContact CD-CD2 4.47Å; K1027-Y1069 HydrophobicContact CD-CE1 4.29Å; K1027-Y1069 HydrophobicContact CD-CE2 4.23Å
1028	D	89	Confident	88	Confident	12 Å²	12	64.4 Å²	64.4	6%	0.064	33%	0.333	C	S	.	.			trans	-56.1	123.4	167.4	176.1	18.9	0	0	0	110	R1016 S1030 Y1069 L1139	R1016-D1028 HydrophobicContact CB-CB 4.03Å; R1016-D1028 HydrophobicContact CG-CB 4.26Å; R1016-D1028 IonicContact CZ-OD2 2.74Å; R1016-D1028 IonicContact NH1-OD2 3.34Å; R1016-D1028 PolarHBondContact NH1-OD2 3.33Å; R1016-D1028 PolarHBondContact O-N 2.9Å; D1028-S1030 WeakPolarHBondContact OD1-CB 3.48Å; D1028-S1030 PolarHBondContact OD1-N 2.97Å; D1028-S1030 PolarHBondContact OD1-OG 3.32Å; D1028-S1030 PolarHBondContact OD2-OG 3.07Å; D1028-Y1069 HydrophobicContact CB-CE1 4.48Å; D1028-Y1069 PolarHBondContact O-OH 2.89Å; D1028-L1139 HydrophobicContact CB-CD2 3.89Å
1029	K	86.3	Confident	87.9	Confident	169 Å²	169	64.9 Å²	64.9	74%	0.735	34%	0.335	S	S	*	.	S	Bend	trans	-94.6	3.4	-179	-61.7	172.6	-174	151.8	0	112.6	K1027 I1031 E1143	K1027-K1029 PolarHBondContact O-N 3.11Å; K1029-I1031 VanDerWaalsContact C-N 3.31Å; K1029-E1143 IonicContact NZ-OE1 3.8Å
1030	S	83.9	Confident	87.7	Confident	50 Å²	50	69 Å²	69	35%	0.35	36%	0.356	S	S	.	.			trans	-77.3	-15.2	-177.5	72.9	0	0	0	0	114.1	D1028	D1028-S1030 WeakPolarHBondContact OD1-CB 3.48Å; D1028-S1030 PolarHBondContact OD1-N 2.97Å; D1028-S1030 PolarHBondContact OD1-OG 3.32Å; D1028-S1030 PolarHBondContact OD2-OG 3.07Å
1031	I	84.6	Confident	87.8	Confident	17 Å²	17	72.6 Å²	72.6	9%	0.087	37%	0.372	C	S	.	.	S	Bend	trans	-90.8	127	179.5	-53.9	169	0	0	0	109.9	K1029 E1035 I1036 Y1069 L1122	K1029-I1031 VanDerWaalsContact C-N 3.31Å; I1031-E1035 HydrophobicContact CG2-CB 3.77Å; I1031-I1036 HydrophobicContact CG2-CD1 4.29Å; I1031-I1036 HydrophobicContact CG2-CG1 3.68Å; I1031-Y1069 HydrophobicContact CD1-CD1 4.25Å; I1031-Y1069 HydrophobicContact CD1-CE1 3.96Å; I1031-L1122 HydrophobicContact CD1-CD1 4.35Å; I1031-L1122 HydrophobicContact CG1-CD1 4.45Å; I1031-L1122 HydrophobicContact CG2-CD1 3.61Å
1032	S	85.5	Confident	88.3	Confident	42 Å²	42	70 Å²	70	29%	0.294	36%	0.358	S	S	.	.			trans	-77.1	154.3	174.5	68.6	0	0	0	0	112.7	K1034 E1035 I1036	S1032-K1034 PolarHBondContact O-N 2.98Å; S1032-E1035 WeakPolarHBondContact CB-OE2 3.32Å; S1032-E1035 PolarHBondContact N-OE2 2.92Å; S1032-E1035 WeakPolarHBondContact O-CB 3.42Å; S1032-E1035 PolarHBondContact O-N 3.43Å; S1032-E1035 VanDerWaalsContact O-N 3.08Å; S1032-E1035 VanDerWaalsContact OG-CD 3.31Å; S1032-E1035 VanDerWaalsContact OG-CG 3.27Å; S1032-E1035 WeakPolarHBondContact OG-CG 3.43Å; S1032-E1035 PolarHBondContact OG-N 3.24Å; S1032-E1035 PolarHBondContact OG-OE2 2.77Å; S1032-I1036 PolarHBondContact O-N 2.72Å; S1032-I1036 VanDerWaalsContact O-N 3.16Å
1033	E	85.2	Confident	88.8	Confident	177 Å²	177	66.5 Å²	66.5	83%	0.827	33%	0.33	S	S	*	.	H	α-helix	trans	-57.8	-32.4	174.9	-67.2	-179	172.9	0	0	112.5	I1036 A1037	E1033-I1036 PolarHBondContact O-N 2.81Å; E1033-A1037 WeakPolarHBondContact O-CB 3.1Å; E1033-A1037 PolarHBondContact O-N 2.86Å
1034	K	87	Confident	89.4	Confident	123 Å²	123	63.6 Å²	63.6	54%	0.535	32%	0.317	S	S	.	.	H	α-helix	trans	-63	-43.7	175.9	-173.9	-174.2	176.9	-169.3	0	111.6	S1032 A1037 L1038 Y1108	S1032-K1034 PolarHBondContact O-N 2.98Å; K1034-A1037 PolarHBondContact O-N 3.45Å; K1034-L1038 WeakPolarHBondContact O-CG 3.35Å; K1034-L1038 PolarHBondContact O-N 3.44Å; K1034-L1038 VanDerWaalsContact O-N 3.11Å; K1034-Y1108 PolarHBondContact NZ-OH 3.26Å
1035	E	88	Confident	89.7	Confident	4 Å²	4	61.3 Å²	61.3	2%	0.019	31%	0.308	C	S	.	.	H	α-helix	trans	-67.2	-39.4	179.1	-74.7	166.1	128.9	0	0	112.2	I1031 S1032 A1037 L1038 L1039 Y1108 L1122 H1125	I1031-E1035 HydrophobicContact CG2-CB 3.77Å; S1032-E1035 WeakPolarHBondContact CB-OE2 3.32Å; S1032-E1035 PolarHBondContact N-OE2 2.92Å; S1032-E1035 WeakPolarHBondContact O-CB 3.42Å; S1032-E1035 PolarHBondContact O-N 3.43Å; S1032-E1035 VanDerWaalsContact O-N 3.08Å; S1032-E1035 VanDerWaalsContact OG-CD 3.31Å; S1032-E1035 VanDerWaalsContact OG-CG 3.27Å; S1032-E1035 WeakPolarHBondContact OG-CG 3.43Å; S1032-E1035 PolarHBondContact OG-N 3.24Å; S1032-E1035 PolarHBondContact OG-OE2 2.77Å; E1035-A1037 VanDerWaalsContact C-N 3.34Å; E1035-L1038 PolarHBondContact O-N 2.86Å; E1035-L1039 PolarHBondContact O-N 3.06Å; E1035-Y1108 HydrophobicContact CG-CD1 3.81Å; E1035-Y1108 HydrophobicContact CG-CE1 4.32Å; E1035-L1122 HydrophobicContact CB-CD1 3.86Å; E1035-L1122 HydrophobicContact CB-CD2 3.72Å; E1035-L1122 HydrophobicContact CB-CG 4.47Å; E1035-L1122 HydrophobicContact CG-CD2 4.07Å; E1035-H1125 VanDerWaalsContact CD-CD2 3.46Å; E1035-H1125 IonicContact OE1-CD2 3.85Å; E1035-H1125 PolarHBondContact OE1-CD2 2.67Å; E1035-H1125 IonicContact OE1-CE1 2.89Å; E1035-H1125 IonicContact OE1-CG 3.72Å; E1035-H1125 IonicContact OE1-NE2 2.56Å; E1035-H1125 PolarHBondContact OE1-NE2 3.42Å; E1035-H1125 VanDerWaalsContact OE1-NE2 3.14Å; E1035-H1125 IonicContact OE2-CD2 2.99Å; E1035-H1125 PolarHBondContact OE2-CD2 3.12Å; E1035-H1125 IonicContact OE2-NE2 2.84Å
1036	I	87.5	Confident	89.8	Confident	43 Å²	43	53.6 Å²	53.6	22%	0.221	28%	0.275	C	S	.	.	H	α-helix	trans	-61	-46.2	173.5	-64.3	171.5	0	0	0	110.1	I1031 S1032 E1033 L1038 L1039 E1040 Y1069	I1031-I1036 HydrophobicContact CG2-CD1 4.29Å; I1031-I1036 HydrophobicContact CG2-CG1 3.68Å; S1032-I1036 PolarHBondContact O-N 2.72Å; S1032-I1036 VanDerWaalsContact O-N 3.16Å; E1033-I1036 PolarHBondContact O-N 2.81Å; I1036-L1038 VanDerWaalsContact C-N 3.27Å; I1036-L1038 PolarHBondContact O-N 2.92Å; I1036-L1039 PolarHBondContact O-N 3.16Å; I1036-L1039 VanDerWaalsContact O-N 3.14Å; I1036-E1040 HydrophobicContact CG2-CG 4.34Å; I1036-E1040 WeakPolarHBondContact O-CG 3.45Å; I1036-E1040 PolarHBondContact O-N 3.27Å; I1036-Y1069 HydrophobicContact CD1-CE2 3.78Å
1037	A	89.9	Confident	89.8	Confident	48 Å²	48	56.4 Å²	56.4	40%	0.397	29%	0.288	S	S	.	.	H	α-helix	trans	-60.5	-35.3	178.8	0	0	0	0	0	112.7	E1033 K1034 E1035 E1040 Q1041	E1033-A1037 WeakPolarHBondContact O-CB 3.1Å; E1033-A1037 PolarHBondContact O-N 2.86Å; K1034-A1037 PolarHBondContact O-N 3.45Å; E1035-A1037 VanDerWaalsContact C-N 3.34Å; A1037-E1040 PolarHBondContact O-N 2.95Å; A1037-Q1041 WeakPolarHBondContact O-CB 3.31Å; A1037-Q1041 PolarHBondContact O-N 2.8Å
1038	L	91.4	Very high	89.8	Confident	23 Å²	23	57.9 Å²	57.9	12%	0.12	30%	0.297	C	S	.	.	H	α-helix	trans	-63.9	-46.6	174	-68.4	171.8	0	0	0	111.4	K1034 E1035 I1036 E1040 Q1041 V1042 V1102 Y1108	K1034-L1038 WeakPolarHBondContact O-CG 3.35Å; K1034-L1038 PolarHBondContact O-N 3.44Å; K1034-L1038 VanDerWaalsContact O-N 3.11Å; E1035-L1038 PolarHBondContact O-N 2.86Å; I1036-L1038 VanDerWaalsContact C-N 3.27Å; I1036-L1038 PolarHBondContact O-N 2.92Å; L1038-E1040 VanDerWaalsContact C-N 3.34Å; L1038-E1040 PolarHBondContact O-N 3.37Å; L1038-Q1041 PolarHBondContact O-N 2.93Å; L1038-V1042 WeakPolarHBondContact O-CG2 3.38Å; L1038-V1042 PolarHBondContact O-N 3.4Å; L1038-V1102 HydrophobicContact CB-CG1 4.16Å; L1038-V1102 HydrophobicContact CD2-CG1 3.63Å; L1038-V1102 HydrophobicContact CG-CG1 4.5Å; L1038-Y1108 HydrophobicContact CD1-CD1 4.39Å; L1038-Y1108 HydrophobicContact CD1-CD2 3.65Å; L1038-Y1108 HydrophobicContact CD1-CE2 4.3Å; L1038-Y1108 HydrophobicContact CD1-CG 3.69Å
1039	L	91.1	Very high	89.9	Confident	10 Å²	10	58.1 Å²	58.1	5%	0.052	30%	0.297	C	S	.	.	H	α-helix	trans	-61.9	-41.8	175.7	-74.7	178.2	0	0	0	112.1	E1035 I1036 Q1041 V1042 A1043 I1072 L1109 V1120 L1122	E1035-L1039 PolarHBondContact O-N 3.06Å; I1036-L1039 PolarHBondContact O-N 3.16Å; I1036-L1039 VanDerWaalsContact O-N 3.14Å; L1039-Q1041 VanDerWaalsContact C-N 3.29Å; L1039-Q1041 PolarHBondContact O-N 3.24Å; L1039-V1042 PolarHBondContact O-N 3.42Å; L1039-A1043 WeakPolarHBondContact O-CB 3.49Å; L1039-A1043 PolarHBondContact O-N 2.85Å; L1039-I1072 HydrophobicContact CD2-CG2 4.47Å; L1039-L1109 HydrophobicContact CD2-CD2 3.63Å; L1039-L1109 HydrophobicContact CG-CD2 4.23Å; L1039-V1120 HydrophobicContact CD2-CG1 4.4Å; L1039-L1122 HydrophobicContact CD1-CD1 3.5Å; L1039-L1122 HydrophobicContact CD1-CD2 4.49Å; L1039-L1122 HydrophobicContact CD1-CG 3.71Å; L1039-L1122 HydrophobicContact CD2-CG 4.37Å; L1039-L1122 HydrophobicContact CG-CD1 4.13Å; L1039-L1122 HydrophobicContact CG-CD2 4.28Å; L1039-L1122 HydrophobicContact CG-CG 3.98Å
1040	E	91.6	Very high	90	Very high	123 Å²	123	50.2 Å²	50.2	58%	0.575	26%	0.263	S	S	*	.	H	α-helix	trans	-61.8	-39.1	176.8	-73.8	-177.2	166.5	0	0	111.9	I1036 A1037 L1038 A1043 A1044	I1036-E1040 HydrophobicContact CG2-CG 4.34Å; I1036-E1040 WeakPolarHBondContact O-CG 3.45Å; I1036-E1040 PolarHBondContact O-N 3.27Å; A1037-E1040 PolarHBondContact O-N 2.95Å; L1038-E1040 VanDerWaalsContact C-N 3.34Å; L1038-E1040 PolarHBondContact O-N 3.37Å; E1040-A1043 PolarHBondContact O-N 2.74Å; E1040-A1044 WeakPolarHBondContact O-CB 2.97Å; E1040-A1044 PolarHBondContact O-N 3.33Å
1041	Q	93.6	Very high	90	Very high	96 Å²	96	54.7 Å²	54.7	45%	0.449	28%	0.278	S	S	.	.	H	α-helix	trans	-65.3	-48.3	175.4	-173.1	178.5	-5.6	0	0	111.6	A1037 L1038 L1039 A1043 A1044 D1045 V1102	A1037-Q1041 WeakPolarHBondContact O-CB 3.31Å; A1037-Q1041 PolarHBondContact O-N 2.8Å; L1038-Q1041 PolarHBondContact O-N 2.93Å; L1039-Q1041 VanDerWaalsContact C-N 3.29Å; L1039-Q1041 PolarHBondContact O-N 3.24Å; Q1041-A1043 VanDerWaalsContact C-N 3.28Å; Q1041-A1043 PolarHBondContact O-N 3.06Å; Q1041-A1044 PolarHBondContact O-N 3.32Å; Q1041-D1045 PolarHBondContact O-N 3.28Å; Q1041-V1102 HydrophobicContact CB-CG1 4.24Å; Q1041-V1102 HydrophobicContact CB-CG2 4.39Å; Q1041-V1102 HydrophobicContact CG-CG1 4.35Å; Q1041-V1102 HydrophobicContact CG-CG2 3.84Å
1042	V	93.6	Very high	90	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-57.8	-44.6	175	178.3	0	0	0	0	110.3	L1038 L1039 A1044 D1045 V1046 I1072 V1099 V1102 L1109 V1120	L1038-V1042 WeakPolarHBondContact O-CG2 3.38Å; L1038-V1042 PolarHBondContact O-N 3.4Å; L1039-V1042 PolarHBondContact O-N 3.42Å; V1042-A1044 VanDerWaalsContact C-N 3.35Å; V1042-A1044 PolarHBondContact O-N 3.42Å; V1042-D1045 PolarHBondContact O-N 3.4Å; V1042-V1046 HydrophobicContact CG1-CG2 4.26Å; V1042-V1046 VanDerWaalsContact O-CG2 3.27Å; V1042-V1046 WeakPolarHBondContact O-CG2 3.43Å; V1042-V1046 PolarHBondContact O-N 3.47Å; V1042-I1072 HydrophobicContact CB-CD1 4.16Å; V1042-I1072 HydrophobicContact CG1-CD1 3.51Å; V1042-V1099 HydrophobicContact CG1-CG2 3.8Å; V1042-V1099 HydrophobicContact CG2-CG2 4.46Å; V1042-V1102 HydrophobicContact CG2-CB 3.73Å; V1042-V1102 HydrophobicContact CG2-CG1 3.82Å; V1042-V1102 HydrophobicContact CG2-CG2 3.78Å; V1042-L1109 HydrophobicContact CG2-CD1 3.84Å; V1042-V1120 HydrophobicContact CG1-CG2 4.48Å
1043	A	92	Very high	89.6	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-64.8	-37.5	-179.7	0	0	0	0	0	112.7	L1039 E1040 Q1041 Q1047 K1067 I1072	L1039-A1043 WeakPolarHBondContact O-CB 3.49Å; L1039-A1043 PolarHBondContact O-N 2.85Å; E1040-A1043 PolarHBondContact O-N 2.74Å; Q1041-A1043 VanDerWaalsContact C-N 3.28Å; Q1041-A1043 PolarHBondContact O-N 3.06Å; A1043-Q1047 VanDerWaalsContact O-CB 3.32Å; A1043-Q1047 WeakPolarHBondContact O-CB 3.01Å; A1043-Q1047 PolarHBondContact O-N 3.06Å; A1043-K1067 HydrophobicContact CB-CD 3.82Å; A1043-K1067 HydrophobicContact CB-CG 4.05Å; A1043-I1072 HydrophobicContact CB-CG2 4.17Å
1044	A	93.3	Very high	89.4	Confident	50 Å²	50	56 Å²	56	41%	0.413	29%	0.29	S	S	.	.	H	α-helix	trans	-66.3	-43.4	175	0	0	0	0	0	111.7	E1040 Q1041 V1042 Q1047 Q1048	E1040-A1044 WeakPolarHBondContact O-CB 2.97Å; E1040-A1044 PolarHBondContact O-N 3.33Å; Q1041-A1044 PolarHBondContact O-N 3.32Å; V1042-A1044 VanDerWaalsContact C-N 3.35Å; V1042-A1044 PolarHBondContact O-N 3.42Å; A1044-Q1047 PolarHBondContact O-N 3.18Å; A1044-Q1048 PolarHBondContact O-N 2.87Å
1045	D	94.9	Very high	89.4	Confident	30 Å²	30	50.4 Å²	50.4	16%	0.16	27%	0.265	C	S	.	.	H	α-helix	trans	-62.8	-44.4	176.7	-79.8	7.7	0	0	0	111.4	Q1041 V1042 Q1048 Q1049 L1098	Q1041-D1045 PolarHBondContact O-N 3.28Å; V1042-D1045 PolarHBondContact O-N 3.4Å; D1045-Q1048 PolarHBondContact O-N 2.74Å; D1045-Q1049 WeakPolarHBondContact O-CG 3.4Å; D1045-Q1049 PolarHBondContact O-N 3.11Å; D1045-Q1049 VanDerWaalsContact O-N 3.1Å; D1045-L1098 HydrophobicContact CB-CD1 4.13Å; D1045-L1098 HydrophobicContact CB-CD2 4.06Å; D1045-L1098 HydrophobicContact CB-CG 4.46Å
1046	V	93.7	Very high	88.9	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.5	-46.2	175.2	173.2	0	0	0	0	110.4	V1042 Q1048 Q1049 L1050 L1065 V1074 W1091 L1098	V1042-V1046 HydrophobicContact CG1-CG2 4.26Å; V1042-V1046 VanDerWaalsContact O-CG2 3.27Å; V1042-V1046 WeakPolarHBondContact O-CG2 3.43Å; V1042-V1046 PolarHBondContact O-N 3.47Å; V1046-Q1048 VanDerWaalsContact C-N 3.26Å; V1046-Q1048 PolarHBondContact O-N 2.95Å; V1046-Q1049 PolarHBondContact O-N 2.96Å; V1046-L1050 HydrophobicContact CG1-CD1 4.07Å; V1046-L1050 HydrophobicContact CG1-CG 4.34Å; V1046-L1050 WeakPolarHBondContact O-CG 3.25Å; V1046-L1050 PolarHBondContact O-N 3.46Å; V1046-L1065 HydrophobicContact CB-CD1 4.44Å; V1046-L1065 HydrophobicContact CB-CD2 4.38Å; V1046-L1065 HydrophobicContact CG1-CD1 4Å; V1046-L1065 HydrophobicContact CG1-CD2 4.09Å; V1046-L1065 HydrophobicContact CG1-CG 4.49Å; V1046-V1074 HydrophobicContact CG1-CG1 4.02Å; V1046-V1074 HydrophobicContact CG1-CG2 4.19Å; V1046-W1091 HydrophobicContact CG1-CH2 3.94Å; V1046-W1091 HydrophobicContact CG1-CZ2 3.88Å; V1046-L1098 HydrophobicContact CB-CD1 4.37Å; V1046-L1098 HydrophobicContact CG2-CD1 3.7Å
1047	Q	91.8	Very high	88.3	Confident	80 Å²	80	52.4 Å²	52.4	37%	0.374	28%	0.275	S	S	.	.	H	α-helix	trans	-58.7	-37.3	178.1	-175	65.1	63.5	0	0	112.5	A1043 A1044 L1050 L1065	A1043-Q1047 VanDerWaalsContact O-CB 3.32Å; A1043-Q1047 WeakPolarHBondContact O-CB 3.01Å; A1043-Q1047 PolarHBondContact O-N 3.06Å; A1044-Q1047 PolarHBondContact O-N 3.18Å; Q1047-L1050 PolarHBondContact O-N 2.98Å; Q1047-L1065 HydrophobicContact CB-CD2 4Å
1048	Q	91.6	Very high	87.9	Confident	119 Å²	119	50.2 Å²	50.2	56%	0.556	26%	0.256	S	S	*	.	H	α-helix	trans	-67.3	-40.8	175.2	-168.9	-173.7	27.3	0	0	111.6	A1044 D1045 V1046 L1050 Q1051	A1044-Q1048 PolarHBondContact O-N 2.87Å; D1045-Q1048 PolarHBondContact O-N 2.74Å; V1046-Q1048 VanDerWaalsContact C-N 3.26Å; V1046-Q1048 PolarHBondContact O-N 2.95Å; Q1048-L1050 VanDerWaalsContact C-N 3.31Å; Q1048-L1050 PolarHBondContact O-N 3.35Å; Q1048-Q1051 WeakPolarHBondContact O-CB 3.44Å; Q1048-Q1051 PolarHBondContact O-N 2.95Å
1049	Q	92.2	Very high	87.1	Confident	17 Å²	17	51.5 Å²	51.5	8%	0.079	26%	0.263	C	S	.	.	H	α-helix	trans	-66.1	-34.5	176.6	-64.4	-52.6	-73.9	0	0	112.4	D1045 V1046 Q1051 L1052 F1055 W1091 R1094 L1098	D1045-Q1049 WeakPolarHBondContact O-CG 3.4Å; D1045-Q1049 PolarHBondContact O-N 3.11Å; D1045-Q1049 VanDerWaalsContact O-N 3.1Å; V1046-Q1049 PolarHBondContact O-N 2.96Å; Q1049-Q1051 PolarHBondContact O-N 3.37Å; Q1049-Q1051 VanDerWaalsContact O-N 3.1Å; Q1049-L1052 VanDerWaalsContact O-CB 3.32Å; Q1049-L1052 WeakPolarHBondContact O-CB 3.32Å; Q1049-L1052 PolarHBondContact O-N 3.4Å; Q1049-F1055 HydrophobicContact CB-CD2 4.33Å; Q1049-W1091 HydrophobicContact CB-CH2 3.95Å; Q1049-W1091 HydrophobicContact CB-CZ3 3.78Å; Q1049-R1094 HydrophobicContact CG-CG 4.41Å; Q1049-R1094 VanDerWaalsContact OE1-CZ 3.29Å; Q1049-L1098 HydrophobicContact CG-CD1 3.82Å; Q1049-L1098 HydrophobicContact CG-CD2 4.39Å
1050	L	88.5	Confident	85.9	Confident	2 Å²	2	53.3 Å²	53.3	1%	0.01	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-9.9	176.4	-73.8	173.7	0	0	0	113.9	V1046 Q1047 Q1048 Q1056 F1058 N1059 L1065 W1091	V1046-L1050 HydrophobicContact CG1-CD1 4.07Å; V1046-L1050 HydrophobicContact CG1-CG 4.34Å; V1046-L1050 WeakPolarHBondContact O-CG 3.25Å; V1046-L1050 PolarHBondContact O-N 3.46Å; Q1047-L1050 PolarHBondContact O-N 2.98Å; Q1048-L1050 VanDerWaalsContact C-N 3.31Å; Q1048-L1050 PolarHBondContact O-N 3.35Å; L1050-Q1056 WeakPolarHBondContact O-CA 3.35Å; L1050-F1058 HydrophobicContact CD2-CB 3.75Å; L1050-N1059 WeakPolarHBondContact CB-OD1 3.37Å; L1050-N1059 PolarHBondContact O-ND2 2.95Å; L1050-L1065 HydrophobicContact CD1-CB 3.84Å; L1050-L1065 HydrophobicContact CD1-CD2 4.23Å; L1050-W1091 HydrophobicContact CD2-CH2 3.87Å; L1050-W1091 HydrophobicContact CD2-CZ2 3.59Å; L1050-W1091 HydrophobicContact CG-CH2 3.99Å; L1050-W1091 HydrophobicContact CG-CZ2 4.01Å
1051	Q	83.4	Confident	84.9	Confident	144 Å²	144	48.7 Å²	48.7	67%	0.673	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-14.7	171.5	-62	-178.8	-18.9	0	0	113	Q1048 Q1049	Q1048-Q1051 WeakPolarHBondContact O-CB 3.44Å; Q1048-Q1051 PolarHBondContact O-N 2.95Å; Q1049-Q1051 PolarHBondContact O-N 3.37Å; Q1049-Q1051 VanDerWaalsContact O-N 3.1Å
1052	L	84.9	Confident	83.7	Confident	68 Å²	68	45.4 Å²	45.4	36%	0.356	24%	0.24	S	C	.	.	S	Bend	trans	-74.8	135.5	178.6	-63	171.7	0	0	0	109.8	Q1049 E1054 F1055 Q1056	Q1049-L1052 VanDerWaalsContact O-CB 3.32Å; Q1049-L1052 WeakPolarHBondContact O-CB 3.32Å; Q1049-L1052 PolarHBondContact O-N 3.4Å; L1052-E1054 HydrophobicContact CB-CG 4.08Å; L1052-E1054 PolarHBondContact O-N 3.26Å; L1052-F1055 HydrophobicContact CB-CD2 4.36Å; L1052-F1055 HydrophobicContact CD1-CD2 4.18Å; L1052-F1055 HydrophobicContact CD1-CE2 4.4Å; L1052-F1055 PolarHBondContact O-N 2.97Å; L1052-Q1056 PolarHBondContact O-N 3.31Å
1053	P	75.7	Confident	82.7	Confident	100 Å²	100	47.4 Å²	47.4	65%	0.649	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-32.2	-178.9	-28.8	34.7	0	0	0	114.3
1054	E	82.5	Confident	82.1	Confident	96 Å²	96	47.7 Å²	47.7	45%	0.449	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-25.1	179.2	58.5	176.7	-157.7	0	0	114.7	L1052 K1090	L1052-E1054 HydrophobicContact CB-CG 4.08Å; L1052-E1054 PolarHBondContact O-N 3.26Å; E1054-K1090 IonicContact OE1-NZ 3.55Å; E1054-K1090 IonicContact OE2-NZ 2.63Å; E1054-K1090 PolarHBondContact OE2-NZ 2.98Å
1055	F	85.9	Confident	81.8	Confident	5 Å²	5	46.9 Å²	46.9	2%	0.022	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-4.8	179.9	-59	-50.2	0	0	0	113	Q1049 L1052 M1057 F1058 K1090 W1091 R1094	Q1049-F1055 HydrophobicContact CB-CD2 4.33Å; L1052-F1055 HydrophobicContact CB-CD2 4.36Å; L1052-F1055 HydrophobicContact CD1-CD2 4.18Å; L1052-F1055 HydrophobicContact CD1-CE2 4.4Å; L1052-F1055 PolarHBondContact O-N 2.97Å; F1055-M1057 PolarHBondContact O-N 3.21Å; F1055-F1058 HydrophobicContact CB-CD2 4.15Å; F1055-F1058 HydrophobicContact CD1-CD2 4.19Å; F1055-F1058 HydrophobicContact CD1-CE2 4.01Å; F1055-F1058 WeakPolarHBondContact O-CB 3.45Å; F1055-F1058 WeakPolarHBondContact O-CD2 3.33Å; F1055-F1058 PolarHBondContact O-N 3.18Å; F1055-K1090 HydrophobicContact CE1-CD 4.39Å; F1055-K1090 HydrophobicContact CE1-CG 4.27Å; F1055-K1090 HydrophobicContact CZ-CG 4.44Å; F1055-W1091 HydrophobicContact CB-CE3 4Å; F1055-W1091 HydrophobicContact CB-CZ3 3.94Å; F1055-W1091 HydrophobicContact CD1-CB 4.21Å; F1055-W1091 HydrophobicContact CD1-CD2 4.03Å; F1055-W1091 AromaticContact CD1-CE3 3.36Å; F1055-W1091 HydrophobicContact CD1-CE3 3.36Å; F1055-W1091 HydrophobicContact CD1-CG 4.4Å; F1055-W1091 HydrophobicContact CD1-CZ3 4.04Å; F1055-W1091 AromaticContact CD2-CE3 3.92Å; F1055-W1091 HydrophobicContact CD2-CE3 3.92Å; F1055-W1091 AromaticContact CD2-CZ3 3.78Å; F1055-W1091 HydrophobicContact CD2-CZ3 3.78Å; F1055-W1091 HydrophobicContact CE1-CB 4.22Å; F1055-W1091 AromaticContact CE1-CE3 3.71Å; F1055-W1091 HydrophobicContact CE1-CE3 3.71Å; F1055-W1091 HydrophobicContact CE2-CE3 4.23Å; F1055-W1091 HydrophobicContact CE2-CZ3 4.28Å; F1055-W1091 HydrophobicContact CG-CD2 4.38Å; F1055-W1091 AromaticContact CG-CE3 3.48Å; F1055-W1091 HydrophobicContact CG-CE3 3.48Å; F1055-W1091 VanDerWaalsContact CG-CE3 3.48Å; F1055-W1091 AromaticContact CG-CZ3 3.65Å; F1055-W1091 HydrophobicContact CG-CZ3 3.65Å; F1055-W1091 HydrophobicContact CZ-CE3 4.13Å; F1055-R1094 HydrophobicContact CE2-CB 4.49Å; F1055-R1094 HydrophobicContact CE2-CG 3.98Å; F1055-R1094 HydrophobicContact CZ-CB 4.1Å; F1055-R1094 HydrophobicContact CZ-CG 4.07Å
1056	Q	78.4	Confident	81.3	Confident	23 Å²	23	46.9 Å²	46.9	11%	0.107	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-55.8	-32.2	-175.8	-152.4	-173.3	-6.1	0	0	112.3	T874 L1050 L1052 F1058 N1059 W1060	T874-Q1056 VanDerWaalsContact OG1-CD 3.31Å; T874-Q1056 PolarHBondContact OG1-NE2 2.9Å; T874-Q1056 PolarHBondContact OG1-OE1 3.09Å; L1050-Q1056 WeakPolarHBondContact O-CA 3.35Å; L1052-Q1056 PolarHBondContact O-N 3.31Å; Q1056-F1058 PolarHBondContact O-N 3.43Å; Q1056-N1059 WeakPolarHBondContact O-CB 3.33Å; Q1056-N1059 PolarHBondContact O-N 3.49Å; Q1056-N1059 VanDerWaalsContact O-N 3.09Å; Q1056-N1059 PolarHBondContact O-ND2 3.35Å; Q1056-W1060 HydrophobicContact CB-CH2 3.83Å; Q1056-W1060 HydrophobicContact CB-CZ2 4.43Å; Q1056-W1060 HydrophobicContact CB-CZ3 4.39Å; Q1056-W1060 HydrophobicContact CG-CH2 3.42Å; Q1056-W1060 VanDerWaalsContact CG-CH2 3.42Å; Q1056-W1060 HydrophobicContact CG-CZ2 3.6Å; Q1056-W1060 HydrophobicContact CG-CZ3 4.4Å; Q1056-W1060 WeakPolarHBondContact O-CZ3 3.35Å
1057	M	73.6	Confident	80.9	Confident	67 Å²	67	52.4 Å²	52.4	33%	0.33	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-56.1	-35.5	176.6	75.5	177.1	71.6	0	0	113.8	F1055 N1059 W1060 I1061 V1083	F1055-M1057 PolarHBondContact O-N 3.21Å; M1057-N1059 PolarHBondContact O-N 3.27Å; M1057-W1060 VanDerWaalsContact CA-CE3 3.43Å; M1057-W1060 VanDerWaalsContact CA-CZ3 3.5Å; M1057-W1060 HydrophobicContact CB-CE3 4.38Å; M1057-W1060 HydrophobicContact CB-CZ3 4.34Å; M1057-W1060 PolarHBondContact O-N 3.43Å; M1057-I1061 HydrophobicContact CB-CD1 4.01Å; M1057-I1061 HydrophobicContact CG-CD1 4.01Å; M1057-I1061 WeakPolarHBondContact O-CG1 2.93Å; M1057-I1061 PolarHBondContact O-N 2.94Å; M1057-I1061 HydrophobicContact SD-CD1 4.15Å; M1057-V1083 HydrophobicContact SD-CG1 4.11Å; M1057-V1083 HydrophobicContact SD-CG2 4.24Å
1058	F	83.3	Confident	80.7	Confident	1 Å²	1	49.4 Å²	49.4	0%	0.004	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-73.3	-5.8	-178.4	-58.5	-69.9	0	0	0	113.2	L1050 F1055 Q1056 W1060 H1076 V1083 W1091	L1050-F1058 HydrophobicContact CD2-CB 3.75Å; F1055-F1058 HydrophobicContact CB-CD2 4.15Å; F1055-F1058 HydrophobicContact CD1-CD2 4.19Å; F1055-F1058 HydrophobicContact CD1-CE2 4.01Å; F1055-F1058 WeakPolarHBondContact O-CB 3.45Å; F1055-F1058 WeakPolarHBondContact O-CD2 3.33Å; F1055-F1058 PolarHBondContact O-N 3.18Å; Q1056-F1058 PolarHBondContact O-N 3.43Å; F1058-W1060 VanDerWaalsContact C-N 3.26Å; F1058-H1076 WeakPolarHBondContact CE1-O 3.48Å; F1058-V1083 HydrophobicContact CE1-CB 4.43Å; F1058-V1083 HydrophobicContact CE1-CG1 3.73Å; F1058-V1083 HydrophobicContact CE1-CG2 3.93Å; F1058-V1083 HydrophobicContact CZ-CG1 3.74Å; F1058-W1091 AromaticContact CD1-CD1 3.57Å; F1058-W1091 HydrophobicContact CD1-CG 4.26Å; F1058-W1091 AromaticContact CD1-NE1 3.97Å; F1058-W1091 HydrophobicContact CD2-CB 4Å; F1058-W1091 AromaticContact CD2-CD1 3.61Å; F1058-W1091 AromaticContact CD2-CD2 3.87Å; F1058-W1091 HydrophobicContact CD2-CD2 3.87Å; F1058-W1091 AromaticContact CD2-CG 3.56Å; F1058-W1091 HydrophobicContact CD2-CG 3.56Å; F1058-W1091 AromaticContact CD2-NE1 3.9Å; F1058-W1091 HydrophobicContact CE1-CB 4.29Å; F1058-W1091 AromaticContact CE1-CD1 3.82Å; F1058-W1091 HydrophobicContact CE1-CG 4.27Å; F1058-W1091 HydrophobicContact CE2-CB 3.5Å; F1058-W1091 VanDerWaalsContact CE2-CB 3.5Å; F1058-W1091 AromaticContact CE2-CD1 3.9Å; F1058-W1091 HydrophobicContact CE2-CD2 4.28Å; F1058-W1091 AromaticContact CE2-CG 3.62Å; F1058-W1091 HydrophobicContact CE2-CG 3.62Å; F1058-W1091 AromaticContact CG-CD1 3.46Å; F1058-W1091 VanDerWaalsContact CG-CD1 3.46Å; F1058-W1091 HydrophobicContact CG-CD2 4.31Å; F1058-W1091 AromaticContact CG-CG 3.92Å; F1058-W1091 HydrophobicContact CG-CG 3.92Å; F1058-W1091 AromaticContact CG-NE1 3.55Å; F1058-W1091 HydrophobicContact CZ-CB 3.65Å; F1058-W1091 AromaticContact CZ-CD1 3.98Å; F1058-W1091 AromaticContact CZ-CG 3.97Å; F1058-W1091 HydrophobicContact CZ-CG 3.97Å
1059	N	74.3	Confident	80.5	Confident	50 Å²	50	45.8 Å²	45.8	27%	0.267	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-67.4	-30.1	164.5	-73.3	-65.3	0	0	0	112.1	L1050 Q1056 M1057	L1050-N1059 WeakPolarHBondContact CB-OD1 3.37Å; L1050-N1059 PolarHBondContact O-ND2 2.95Å; Q1056-N1059 WeakPolarHBondContact O-CB 3.33Å; Q1056-N1059 PolarHBondContact O-N 3.49Å; Q1056-N1059 VanDerWaalsContact O-N 3.09Å; Q1056-N1059 PolarHBondContact O-ND2 3.35Å; M1057-N1059 PolarHBondContact O-N 3.27Å
1060	W	66.1	Low	80.2	Confident	49 Å²	49	45.1 Å²	45.1	19%	0.186	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	-23.9	-165	-44.5	-55.6	0	0	0	113.3	L813 T870 F872 A878 Q1056 M1057 F1058	L813-W1060 HydrophobicContact CD1-CB 4.49Å; L813-W1060 HydrophobicContact CD1-CG 4.11Å; T870-W1060 HydrophobicContact CG2-CD2 3.56Å; T870-W1060 HydrophobicContact CG2-CE3 3.88Å; T870-W1060 HydrophobicContact CG2-CG 4.13Å; T870-W1060 HydrophobicContact CG2-CH2 3.87Å; T870-W1060 HydrophobicContact CG2-CZ2 3.51Å; T870-W1060 HydrophobicContact CG2-CZ3 4.04Å; F872-W1060 HydrophobicContact CD2-CZ2 4.41Å; A878-W1060 HydrophobicContact CB-CB 4.37Å; Q1056-W1060 HydrophobicContact CB-CH2 3.83Å; Q1056-W1060 HydrophobicContact CB-CZ2 4.43Å; Q1056-W1060 HydrophobicContact CB-CZ3 4.39Å; Q1056-W1060 HydrophobicContact CG-CH2 3.42Å; Q1056-W1060 VanDerWaalsContact CG-CH2 3.42Å; Q1056-W1060 HydrophobicContact CG-CZ2 3.6Å; Q1056-W1060 HydrophobicContact CG-CZ3 4.4Å; Q1056-W1060 WeakPolarHBondContact O-CZ3 3.35Å; M1057-W1060 VanDerWaalsContact CA-CE3 3.43Å; M1057-W1060 VanDerWaalsContact CA-CZ3 3.5Å; M1057-W1060 HydrophobicContact CB-CE3 4.38Å; M1057-W1060 HydrophobicContact CB-CZ3 4.34Å; M1057-W1060 PolarHBondContact O-N 3.43Å; F1058-W1060 VanDerWaalsContact C-N 3.26Å
1061	I	70	Confident	80.3	Confident	25 Å²	25	45.1 Å²	45.1	13%	0.128	23%	0.234	C	C	.	.	S	Bend	trans	-79.5	130.1	-178.6	-67.1	179.6	0	0	0	109	M1057 S1063 G1064 A1075 D1078 V1083	M1057-I1061 HydrophobicContact CB-CD1 4.01Å; M1057-I1061 HydrophobicContact CG-CD1 4.01Å; M1057-I1061 WeakPolarHBondContact O-CG1 2.93Å; M1057-I1061 PolarHBondContact O-N 2.94Å; M1057-I1061 HydrophobicContact SD-CD1 4.15Å; I1061-S1063 PolarHBondContact O-N 3.41Å; I1061-G1064 PolarHBondContact O-N 3.39Å; I1061-A1075 WeakPolarHBondContact O-CB 3.42Å; I1061-D1078 HydrophobicContact CG2-CB 3.54Å; I1061-D1078 VanDerWaalsContact CG2-N 3.26Å; I1061-V1083 HydrophobicContact CD1-CG2 3.21Å; I1061-V1083 HydrophobicContact CG1-CG2 4.4Å; I1061-V1083 HydrophobicContact CG2-CG2 3.87Å
1062	G	68.6	Low	80.6	Confident	27 Å²	27	38.4 Å²	38.4	28%	0.278	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	-130.7	175.2	0	0	0	0	0	113.9	G1064	G1062-G1064 VanDerWaalsContact C-N 3.3Å; G1062-G1064 PolarHBondContact O-N 3.46Å
1063	S	72.1	Confident	80.8	Confident	42 Å²	42	35.5 Å²	35.5	29%	0.294	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-17.1	-176.5	-56.1	0	0	0	0	114.2	I1061 Q1066 D1117	I1061-S1063 PolarHBondContact O-N 3.41Å; S1063-Q1066 VanDerWaalsContact O-CG 3.3Å; S1063-Q1066 WeakPolarHBondContact O-CG 3.14Å; S1063-Q1066 PolarHBondContact O-NE2 2.95Å; S1063-D1117 WeakPolarHBondContact CB-OD1 3.33Å; S1063-D1117 PolarHBondContact OG-OD1 3.19Å; S1063-D1117 VanDerWaalsContact OG-OD1 3.1Å; S1063-D1117 PolarHBondContact OG-OD2 2.91Å
1064	G	80	Confident	81.5	Confident	7 Å²	7	30.8 Å²	30.8	7%	0.072	16%	0.157	C	C	.	.			trans	61.7	-152.4	-167.3	0	0	0	0	0	113	I1061 G1062 V1074 A1075	I1061-G1064 PolarHBondContact O-N 3.39Å; G1062-G1064 VanDerWaalsContact C-N 3.3Å; G1062-G1064 PolarHBondContact O-N 3.46Å; G1064-V1074 WeakPolarHBondContact O-CA 3.13Å; G1064-A1075 PolarHBondContact O-N 3.23Å
1065	L	85.7	Confident	81.8	Confident	33 Å²	33	26.2 Å²	26.2	17%	0.173	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	118.2	168.9	171.6	64.8	0	0	0	110	V1046 Q1047 L1050 T1073 V1074	V1046-L1065 HydrophobicContact CB-CD1 4.44Å; V1046-L1065 HydrophobicContact CB-CD2 4.38Å; V1046-L1065 HydrophobicContact CG1-CD1 4Å; V1046-L1065 HydrophobicContact CG1-CD2 4.09Å; V1046-L1065 HydrophobicContact CG1-CG 4.49Å; Q1047-L1065 HydrophobicContact CB-CD2 4Å; L1050-L1065 HydrophobicContact CD1-CB 3.84Å; L1050-L1065 HydrophobicContact CD1-CD2 4.23Å; L1065-T1073 WeakPolarHBondContact CA-O 3.26Å; L1065-V1074 HydrophobicContact CD1-CG2 3.8Å
1066	Q	84.9	Confident	81.9	Confident	30 Å²	30	26.5 Å²	26.5	14%	0.14	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	131.2	177.3	-56.9	-178.4	-6.7	0	0	110.6	S1063 H1068 I1072 T1073	S1063-Q1066 VanDerWaalsContact O-CG 3.3Å; S1063-Q1066 WeakPolarHBondContact O-CG 3.14Å; S1063-Q1066 PolarHBondContact O-NE2 2.95Å; Q1066-H1068 WeakPolarHBondContact CB-NE2 3.37Å; Q1066-H1068 PolarHBondContact OE1-CE1 3.17Å; Q1066-H1068 PolarHBondContact OE1-NE2 3.4Å; Q1066-I1072 WeakPolarHBondContact O-CA 3.46Å; Q1066-T1073 PolarHBondContact N-O 2.71Å; Q1066-T1073 PolarHBondContact O-N 2.73Å
1067	K	86.1	Confident	82.1	Confident	116 Å²	116	26 Å²	26	50%	0.504	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	112.4	176.8	-55.1	-171.6	-167.1	-167.8	0	109	A1043	A1043-K1067 HydrophobicContact CB-CD 3.82Å; A1043-K1067 HydrophobicContact CB-CG 4.05Å
1068	H	86.2	Confident	82	Confident	16 Å²	16	23.6 Å²	23.6	7%	0.074	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	165.5	175.5	-48.7	-91.4	0	0	0	110	S989 P991 Q1066 G1070 H1071 T1073	S989-H1068 PolarHBondContact O-CE1 3.48Å; S989-H1068 PolarHBondContact O-ND1 3.41Å; P991-H1068 WeakPolarHBondContact CD-ND1 3.46Å; Q1066-H1068 WeakPolarHBondContact CB-NE2 3.37Å; Q1066-H1068 PolarHBondContact OE1-CE1 3.17Å; Q1066-H1068 PolarHBondContact OE1-NE2 3.4Å; H1068-G1070 PolarHBondContact O-N 3.31Å; H1068-H1071 CarbonylContact C-O 3.58Å; H1068-H1071 WeakPolarHBondContact CA-O 3.5Å; H1068-H1071 WeakPolarHBondContact CB-CE1 3.38Å; H1068-H1071 WeakPolarHBondContact CB-ND1 3.35Å; H1068-H1071 VanDerWaalsContact CB-O 3.28Å; H1068-H1071 WeakPolarHBondContact CB-O 3.44Å; H1068-H1071 AromaticContact CD2-CD2 3.42Å; H1068-H1071 PolarHBondContact CD2-CD2 2.96Å; H1068-H1071 VanDerWaalsContact CD2-CD2 3.42Å; H1068-H1071 AromaticContact CD2-CE1 3.86Å; H1068-H1071 AromaticContact CD2-NE2 3.22Å; H1068-H1071 PolarHBondContact CD2-NE2 2.76Å; H1068-H1071 AromaticContact CG-CD2 3.85Å; H1068-H1071 AromaticContact CG-CE1 3.49Å; H1068-H1071 VanDerWaalsContact CG-CE1 3.49Å; H1068-H1071 AromaticContact CG-NE2 3.32Å; H1068-H1071 VanDerWaalsContact CG-NE2 3.32Å; H1068-H1071 PolarHBondContact N-O 3.3Å; H1068-H1071 AromaticContact ND1-NE2 3.9Å; H1068-H1071 AromaticContact NE2-NE2 3.78Å; H1068-T1073 PolarHBondContact CD2-OG1 2.76Å; H1068-T1073 PolarHBondContact NE2-OG1 3.46Å
1069	Y	87.6	Confident	81.2	Confident	44 Å²	44	28.2 Å²	28.2	17%	0.173	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	110.1	171.8	-171.1	-108.3	0	0	0	109.5	S1013 R1016 E1017 K1027 D1028 I1031 I1036	S1013-Y1069 WeakPolarHBondContact CB-O 3.46Å; S1013-Y1069 PolarHBondContact OG-N 3.35Å; R1016-Y1069 HydrophobicContact CB-CD1 3.97Å; R1016-Y1069 WeakPolarHBondContact CD-O 3.4Å; E1017-Y1069 HydrophobicContact CG-CD1 3.6Å; E1017-Y1069 HydrophobicContact CG-CE1 4.47Å; E1017-Y1069 HydrophobicContact CG-CG 3.72Å; E1017-Y1069 WeakPolarHBondContact OE2-CB 3.47Å; K1027-Y1069 HydrophobicContact CB-CE1 3.99Å; K1027-Y1069 HydrophobicContact CD-CD2 4.47Å; K1027-Y1069 HydrophobicContact CD-CE1 4.29Å; K1027-Y1069 HydrophobicContact CD-CE2 4.23Å; D1028-Y1069 HydrophobicContact CB-CE1 4.48Å; D1028-Y1069 PolarHBondContact O-OH 2.89Å; I1031-Y1069 HydrophobicContact CD1-CD1 4.25Å; I1031-Y1069 HydrophobicContact CD1-CE1 3.96Å; I1036-Y1069 HydrophobicContact CD1-CE2 3.78Å
1070	G	87.3	Confident	80.6	Confident	3 Å²	3	31.7 Å²	31.7	3%	0.031	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.3	0.6	178.9	0	0	0	0	0	116.1	H1068 L1122	H1068-G1070 PolarHBondContact O-N 3.31Å; G1070-L1122 PolarHBondContact O-N 3.4Å
1071	H	90	Very high	80.8	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	163.7	169.2	67.3	-75.6	0	0	0	112.3	H1068 V1120 L1121	H1068-H1071 CarbonylContact C-O 3.58Å; H1068-H1071 WeakPolarHBondContact CA-O 3.5Å; H1068-H1071 WeakPolarHBondContact CB-CE1 3.38Å; H1068-H1071 WeakPolarHBondContact CB-ND1 3.35Å; H1068-H1071 VanDerWaalsContact CB-O 3.28Å; H1068-H1071 WeakPolarHBondContact CB-O 3.44Å; H1068-H1071 AromaticContact CD2-CD2 3.42Å; H1068-H1071 PolarHBondContact CD2-CD2 2.96Å; H1068-H1071 VanDerWaalsContact CD2-CD2 3.42Å; H1068-H1071 AromaticContact CD2-CE1 3.86Å; H1068-H1071 AromaticContact CD2-NE2 3.22Å; H1068-H1071 PolarHBondContact CD2-NE2 2.76Å; H1068-H1071 AromaticContact CG-CD2 3.85Å; H1068-H1071 AromaticContact CG-CE1 3.49Å; H1068-H1071 VanDerWaalsContact CG-CE1 3.49Å; H1068-H1071 AromaticContact CG-NE2 3.32Å; H1068-H1071 VanDerWaalsContact CG-NE2 3.32Å; H1068-H1071 PolarHBondContact N-O 3.3Å; H1068-H1071 AromaticContact ND1-NE2 3.9Å; H1068-H1071 AromaticContact NE2-NE2 3.78Å; H1071-V1120 CarbonylContact C-O 3.54Å; H1071-V1120 WeakPolarHBondContact CA-O 3.35Å; H1071-V1120 VanDerWaalsContact CB-O 3.24Å; H1071-V1120 WeakPolarHBondContact CB-O 3.35Å; H1071-L1121 HydrophobicContact CB-CD2 3.76Å
1072	I	90.5	Very high	80.8	Confident	4 Å²	4	36.8 Å²	36.8	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	148.6	168.4	62.7	159.9	0	0	0	110	L1039 V1042 A1043 Q1066 V1074 R1119 V1120	L1039-I1072 HydrophobicContact CD2-CG2 4.47Å; V1042-I1072 HydrophobicContact CB-CD1 4.16Å; V1042-I1072 HydrophobicContact CG1-CD1 3.51Å; A1043-I1072 HydrophobicContact CB-CG2 4.17Å; Q1066-I1072 WeakPolarHBondContact O-CA 3.46Å; I1072-V1074 HydrophobicContact CD1-CG2 4.28Å; I1072-R1119 CarbonylContact O-C 3.59Å; I1072-R1119 VanDerWaalsContact O-CA 3.29Å; I1072-R1119 WeakPolarHBondContact O-CA 3.38Å; I1072-V1120 HydrophobicContact CD1-CB 4.11Å; I1072-V1120 HydrophobicContact CD1-CG2 3.75Å; I1072-V1120 HydrophobicContact CG1-CB 3.51Å; I1072-V1120 HydrophobicContact CG1-CG2 3.61Å; I1072-V1120 PolarHBondContact N-O 2.85Å; I1072-V1120 PolarHBondContact O-N 3.45Å
1073	T	88.6	Confident	81.3	Confident	7 Å²	7	35.7 Å²	35.7	4%	0.043	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	133.2	176.6	-56	0	0	0	0	108.5	L1065 Q1066 H1068 D1117 R1119	L1065-T1073 WeakPolarHBondContact CA-O 3.26Å; Q1066-T1073 PolarHBondContact N-O 2.71Å; Q1066-T1073 PolarHBondContact O-N 2.73Å; H1068-T1073 PolarHBondContact CD2-OG1 2.76Å; H1068-T1073 PolarHBondContact NE2-OG1 3.46Å; T1073-D1117 HydrophobicContact CG2-CB 3.66Å; T1073-R1119 HydrophobicContact CG2-CG 4.23Å
1074	V	91	Very high	81.8	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	118.4	-179	-169.7	0	0	0	0	109.4	V1046 G1064 L1065 I1072 W1091 I1095 D1117 V1118	V1046-V1074 HydrophobicContact CG1-CG1 4.02Å; V1046-V1074 HydrophobicContact CG1-CG2 4.19Å; G1064-V1074 WeakPolarHBondContact O-CA 3.13Å; L1065-V1074 HydrophobicContact CD1-CG2 3.8Å; I1072-V1074 HydrophobicContact CD1-CG2 4.28Å; V1074-W1091 HydrophobicContact CG1-CZ2 3.73Å; V1074-I1095 HydrophobicContact CB-CD1 3.91Å; V1074-I1095 HydrophobicContact CG1-CD1 3.62Å; V1074-I1095 HydrophobicContact CG1-CG1 4.31Å; V1074-D1117 CarbonylContact O-C 3.51Å; V1074-D1117 VanDerWaalsContact O-CA 3.32Å; V1074-D1117 WeakPolarHBondContact O-CA 3.14Å; V1074-V1118 PolarHBondContact N-O 3.45Å; V1074-V1118 PolarHBondContact O-N 2.72Å
1075	A	87	Confident	82.1	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	140.1	175.8	0	0	0	0	0	112.3	I1061 G1064 W1091 D1117	I1061-A1075 WeakPolarHBondContact O-CB 3.42Å; G1064-A1075 PolarHBondContact O-N 3.23Å; A1075-W1091 PolarHBondContact O-NE1 2.67Å; A1075-D1117 WeakPolarHBondContact CA-OD1 3.45Å; A1075-D1117 WeakPolarHBondContact CB-OD1 3.42Å
1076	H	89	Confident	82.3	Confident	11 Å²	11	44.6 Å²	44.6	5%	0.051	24%	0.238	C	C	.	.	S	Bend	trans	-129.8	-4.4	170.3	71	86.9	0	0	0	113	F1058 S1088 I1092 G1114 K1115 T1116 D1117	F1058-H1076 WeakPolarHBondContact CE1-O 3.48Å; H1076-S1088 PolarHBondContact ND1-OG 2.91Å; H1076-S1088 WeakPolarHBondContact O-CB 3.44Å; H1076-S1088 PolarHBondContact O-OG 2.89Å; H1076-I1092 HydrophobicContact CB-CD1 4.39Å; H1076-I1092 HydrophobicContact CB-CG1 3.91Å; H1076-G1114 PolarHBondContact NE2-O 3.1Å; H1076-K1115 PolarHBondContact CE1-O 3.5Å; H1076-T1116 PolarHBondContact CD2-O 3.3Å; H1076-T1116 PolarHBondContact N-O 3.21Å; H1076-T1116 VanDerWaalsContact NE2-C 3.3Å; H1076-D1117 VanDerWaalsContact CD2-CA 3.5Å; H1076-D1117 WeakPolarHBondContact CD2-CA 3.33Å; H1076-D1117 PolarHBondContact CD2-N 2.9Å; H1076-D1117 PolarHBondContact NE2-N 2.84Å
1077	Q	82.1	Confident	82.3	Confident	12 Å²	12	44.3 Å²	44.3	6%	0.056	24%	0.24	C	C	.	.			trans	-159.2	156.9	176.2	-175	59.6	-74.9	0	0	110.3	D1081 V1083 T1116	Q1077-D1081 VanDerWaalsContact CD-CA 3.41Å; Q1077-D1081 WeakPolarHBondContact CG-OD1 3.35Å; Q1077-V1083 PolarHBondContact NE2-O 2.98Å; Q1077-V1083 VanDerWaalsContact OE1-CB 3.26Å; Q1077-T1116 PolarHBondContact N-O 2.96Å; Q1077-T1116 WeakPolarHBondContact O-CB 3.26Å
1078	D	71.9	Confident	82.5	Confident	17 Å²	17	39.3 Å²	39.3	9%	0.091	22%	0.22	C	C	.	.			trans	-103.6	-179.7	170.7	60.1	21.2	0	0	0	112.3	I1061 Y1080 D1081 S1082	I1061-D1078 HydrophobicContact CG2-CB 3.54Å; I1061-D1078 VanDerWaalsContact CG2-N 3.26Å; D1078-Y1080 PolarHBondContact O-N 3.07Å; D1078-Y1080 WeakPolarHBondContact OD1-CA 3.48Å; D1078-Y1080 PolarHBondContact OD1-N 2.98Å; D1078-D1081 PolarHBondContact O-N 3.3Å; D1078-D1081 PolarHBondContact OD1-N 2.95Å; D1078-S1082 VanDerWaalsContact CG-OG 3.29Å; D1078-S1082 WeakPolarHBondContact OD1-CB 3.49Å; D1078-S1082 PolarHBondContact OD1-N 3.37Å; D1078-S1082 PolarHBondContact OD1-OG 2.93Å; D1078-S1082 WeakPolarHBondContact OD2-CB 3.23Å; D1078-S1082 PolarHBondContact OD2-OG 3.02Å
1079	C	65.7	Low	82.8	Confident	98 Å²	98	45.5 Å²	45.5	66%	0.662	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-8.5	176.9	53.7	0	0	0	0	114.5
1080	Y	63.1	Low	83.1	Confident	123 Å²	123	48.4 Å²	48.4	48%	0.482	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	2.5	-179.6	-63.8	-66.4	0	0	0	113.7	D881 D1078 S1082	D881-Y1080 HydrophobicContact CB-CE2 3.6Å; D881-Y1080 VanDerWaalsContact CB-CZ 3.43Å; D881-Y1080 WeakPolarHBondContact CB-OH 3.5Å; D881-Y1080 PolarHBondContact OD2-OH 3.43Å; D1078-Y1080 PolarHBondContact O-N 3.07Å; D1078-Y1080 WeakPolarHBondContact OD1-CA 3.48Å; D1078-Y1080 PolarHBondContact OD1-N 2.98Å; Y1080-S1082 PolarHBondContact O-N 3.25Å
1081	D	69.8	Low	83.4	Confident	104 Å²	104	48.2 Å²	48.2	56%	0.556	25%	0.254	S	S	*	.			trans	53.3	34.8	-170.7	-70	-49.3	0	0	0	112.7	Q1077 D1078 V1083	Q1077-D1081 VanDerWaalsContact CD-CA 3.41Å; Q1077-D1081 WeakPolarHBondContact CG-OD1 3.35Å; D1078-D1081 PolarHBondContact O-N 3.3Å; D1078-D1081 PolarHBondContact OD1-N 2.95Å; D1081-V1083 PolarHBondContact O-N 3.1Å
1082	S	68.8	Low	83.6	Confident	77 Å²	77	48.9 Å²	48.9	54%	0.538	26%	0.258	S	S	.	.			trans	-65	-24.9	-174.5	-57.1	0	0	0	0	113.6	D1078 Y1080	D1078-S1082 VanDerWaalsContact CG-OG 3.29Å; D1078-S1082 WeakPolarHBondContact OD1-CB 3.49Å; D1078-S1082 PolarHBondContact OD1-N 3.37Å; D1078-S1082 PolarHBondContact OD1-OG 2.93Å; D1078-S1082 WeakPolarHBondContact OD2-CB 3.23Å; D1078-S1082 PolarHBondContact OD2-OG 3.02Å; Y1080-S1082 PolarHBondContact O-N 3.25Å
1083	V	79.4	Confident	83.8	Confident	3 Å²	3	53.2 Å²	53.2	2%	0.018	28%	0.281	C	S	.	.	S	Bend	trans	-84.8	130.3	177.9	-172.9	0	0	0	0	109.8	M1057 F1058 I1061 Q1077 D1081 A1087	M1057-V1083 HydrophobicContact SD-CG1 4.11Å; M1057-V1083 HydrophobicContact SD-CG2 4.24Å; F1058-V1083 HydrophobicContact CE1-CB 4.43Å; F1058-V1083 HydrophobicContact CE1-CG1 3.73Å; F1058-V1083 HydrophobicContact CE1-CG2 3.93Å; F1058-V1083 HydrophobicContact CZ-CG1 3.74Å; I1061-V1083 HydrophobicContact CD1-CG2 3.21Å; I1061-V1083 HydrophobicContact CG1-CG2 4.4Å; I1061-V1083 HydrophobicContact CG2-CG2 3.87Å; Q1077-V1083 PolarHBondContact NE2-O 2.98Å; Q1077-V1083 VanDerWaalsContact OE1-CB 3.26Å; D1081-V1083 PolarHBondContact O-N 3.1Å; V1083-A1087 HydrophobicContact CG1-CB 3.8Å
1084	S	83.7	Confident	84	Confident	55 Å²	55	55.8 Å²	55.8	39%	0.385	29%	0.29	S	S	.	.			trans	-55.1	139.6	171.1	66	0	0	0	0	111.6	E1086 A1087 S1088	S1084-E1086 PolarHBondContact O-N 3.31Å; S1084-A1087 PolarHBondContact O-N 2.86Å; S1084-A1087 WeakPolarHBondContact OG-CB 3.45Å; S1084-A1087 PolarHBondContact OG-N 2.94Å; S1084-S1088 PolarHBondContact O-N 2.98Å
1085	P	86.8	Confident	84.2	Confident	82 Å²	82	55.7 Å²	55.7	53%	0.532	29%	0.29	S	S	.	.	H	α-helix	trans	-56.7	-24.6	177.1	-27.6	35.2	0	0	0	114.1	R1089	P1085-R1089 WeakPolarHBondContact O-CB 3.24Å; P1085-R1089 WeakPolarHBondContact O-CG 3.46Å; P1085-R1089 PolarHBondContact O-N 3.3Å; P1085-R1089 PolarHBondContact O-NE 3.09Å
1086	E	88.4	Confident	84.5	Confident	133 Å²	133	58.9 Å²	58.9	62%	0.621	30%	0.303	S	S	*	.	H	α-helix	trans	-73	-47.4	172.6	-63.7	96.1	-163.2	0	0	112.7	S1084 S1088 R1089 K1090	S1084-E1086 PolarHBondContact O-N 3.31Å; E1086-S1088 VanDerWaalsContact C-N 3.33Å; E1086-S1088 PolarHBondContact O-N 3.41Å; E1086-R1089 PolarHBondContact O-N 3.45Å; E1086-K1090 WeakPolarHBondContact O-CB 3.21Å; E1086-K1090 PolarHBondContact O-N 3.21Å
1087	A	86	Confident	84.8	Confident	24 Å²	24	61.9 Å²	61.9	20%	0.198	32%	0.317	C	S	.	.	H	α-helix	trans	-64	-41.2	179.2	0	0	0	0	0	111.4	V1083 S1084 K1090 W1091	V1083-A1087 HydrophobicContact CG1-CB 3.8Å; S1084-A1087 PolarHBondContact O-N 2.86Å; S1084-A1087 WeakPolarHBondContact OG-CB 3.45Å; S1084-A1087 PolarHBondContact OG-N 2.94Å; A1087-K1090 PolarHBondContact O-N 3.4Å; A1087-W1091 WeakPolarHBondContact O-CB 3.46Å; A1087-W1091 PolarHBondContact O-N 2.98Å
1088	S	89.8	Confident	85.4	Confident	10 Å²	10	61.4 Å²	61.4	7%	0.07	32%	0.315	C	S	.	.	H	α-helix	trans	-60.1	-49.5	175.9	-167.1	0	0	0	0	111.4	H1076 S1084 E1086 K1090 W1091 I1092	H1076-S1088 PolarHBondContact ND1-OG 2.91Å; H1076-S1088 WeakPolarHBondContact O-CB 3.44Å; H1076-S1088 PolarHBondContact O-OG 2.89Å; S1084-S1088 PolarHBondContact O-N 2.98Å; E1086-S1088 VanDerWaalsContact C-N 3.33Å; E1086-S1088 PolarHBondContact O-N 3.41Å; S1088-K1090 PolarHBondContact O-N 2.9Å; S1088-W1091 PolarHBondContact O-N 3.34Å; S1088-I1092 VanDerWaalsContact O-CG1 3.31Å; S1088-I1092 WeakPolarHBondContact O-CG1 3.26Å; S1088-I1092 PolarHBondContact O-N 3.45Å
1089	R	93.1	Very high	86.4	Confident	146 Å²	146	61 Å²	61	55%	0.551	31%	0.313	S	S	*	.	H	α-helix	trans	-61.6	-44.8	176	-84.2	-179.2	-79.9	170.4	-6.8	113	P1085 E1086 W1091 I1092 D1093	P1085-R1089 WeakPolarHBondContact O-CB 3.24Å; P1085-R1089 WeakPolarHBondContact O-CG 3.46Å; P1085-R1089 PolarHBondContact O-N 3.3Å; P1085-R1089 PolarHBondContact O-NE 3.09Å; E1086-R1089 PolarHBondContact O-N 3.45Å; R1089-W1091 PolarHBondContact O-N 2.99Å; R1089-I1092 PolarHBondContact O-N 3.47Å; R1089-D1093 WeakPolarHBondContact O-CB 3.46Å; R1089-D1093 PolarHBondContact O-N 3.33Å
1090	K	92.5	Very high	87.7	Confident	105 Å²	105	64.2 Å²	64.2	46%	0.457	31%	0.311	S	S	.	.	H	α-helix	trans	-57.1	-39.3	176.6	-174.1	-174.7	173.2	-168.3	0	111.2	E1054 F1055 E1086 A1087 S1088 R1094	E1054-K1090 IonicContact OE1-NZ 3.55Å; E1054-K1090 IonicContact OE2-NZ 2.63Å; E1054-K1090 PolarHBondContact OE2-NZ 2.98Å; F1055-K1090 HydrophobicContact CE1-CD 4.39Å; F1055-K1090 HydrophobicContact CE1-CG 4.27Å; F1055-K1090 HydrophobicContact CZ-CG 4.44Å; E1086-K1090 WeakPolarHBondContact O-CB 3.21Å; E1086-K1090 PolarHBondContact O-N 3.21Å; A1087-K1090 PolarHBondContact O-N 3.4Å; S1088-K1090 PolarHBondContact O-N 2.9Å; K1090-R1094 WeakPolarHBondContact O-CB 3.35Å; K1090-R1094 PolarHBondContact O-N 2.83Å; K1090-R1094 VanDerWaalsContact O-N 3.08Å
1091	W	93.7	Very high	89.2	Confident	0 Å²	0	64 Å²	64	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-70.7	-45.3	177.2	-179.6	-130.8	0	0	0	112.8	V1046 Q1049 L1050 F1055 F1058 V1074 A1075 A1087 S1088 R1089 D1093 R1094 I1095	V1046-W1091 HydrophobicContact CG1-CH2 3.94Å; V1046-W1091 HydrophobicContact CG1-CZ2 3.88Å; Q1049-W1091 HydrophobicContact CB-CH2 3.95Å; Q1049-W1091 HydrophobicContact CB-CZ3 3.78Å; L1050-W1091 HydrophobicContact CD2-CH2 3.87Å; L1050-W1091 HydrophobicContact CD2-CZ2 3.59Å; L1050-W1091 HydrophobicContact CG-CH2 3.99Å; L1050-W1091 HydrophobicContact CG-CZ2 4.01Å; F1055-W1091 HydrophobicContact CB-CE3 4Å; F1055-W1091 HydrophobicContact CB-CZ3 3.94Å; F1055-W1091 HydrophobicContact CD1-CB 4.21Å; F1055-W1091 HydrophobicContact CD1-CD2 4.03Å; F1055-W1091 AromaticContact CD1-CE3 3.36Å; F1055-W1091 HydrophobicContact CD1-CE3 3.36Å; F1055-W1091 HydrophobicContact CD1-CG 4.4Å; F1055-W1091 HydrophobicContact CD1-CZ3 4.04Å; F1055-W1091 AromaticContact CD2-CE3 3.92Å; F1055-W1091 HydrophobicContact CD2-CE3 3.92Å; F1055-W1091 AromaticContact CD2-CZ3 3.78Å; F1055-W1091 HydrophobicContact CD2-CZ3 3.78Å; F1055-W1091 HydrophobicContact CE1-CB 4.22Å; F1055-W1091 AromaticContact CE1-CE3 3.71Å; F1055-W1091 HydrophobicContact CE1-CE3 3.71Å; F1055-W1091 HydrophobicContact CE2-CE3 4.23Å; F1055-W1091 HydrophobicContact CE2-CZ3 4.28Å; F1055-W1091 HydrophobicContact CG-CD2 4.38Å; F1055-W1091 AromaticContact CG-CE3 3.48Å; F1055-W1091 HydrophobicContact CG-CE3 3.48Å; F1055-W1091 VanDerWaalsContact CG-CE3 3.48Å; F1055-W1091 AromaticContact CG-CZ3 3.65Å; F1055-W1091 HydrophobicContact CG-CZ3 3.65Å; F1055-W1091 HydrophobicContact CZ-CE3 4.13Å; F1058-W1091 AromaticContact CD1-CD1 3.57Å; F1058-W1091 HydrophobicContact CD1-CG 4.26Å; F1058-W1091 AromaticContact CD1-NE1 3.97Å; F1058-W1091 HydrophobicContact CD2-CB 4Å; F1058-W1091 AromaticContact CD2-CD1 3.61Å; F1058-W1091 AromaticContact CD2-CD2 3.87Å; F1058-W1091 HydrophobicContact CD2-CD2 3.87Å; F1058-W1091 AromaticContact CD2-CG 3.56Å; F1058-W1091 HydrophobicContact CD2-CG 3.56Å; F1058-W1091 AromaticContact CD2-NE1 3.9Å; F1058-W1091 HydrophobicContact CE1-CB 4.29Å; F1058-W1091 AromaticContact CE1-CD1 3.82Å; F1058-W1091 HydrophobicContact CE1-CG 4.27Å; F1058-W1091 HydrophobicContact CE2-CB 3.5Å; F1058-W1091 VanDerWaalsContact CE2-CB 3.5Å; F1058-W1091 AromaticContact CE2-CD1 3.9Å; F1058-W1091 HydrophobicContact CE2-CD2 4.28Å; F1058-W1091 AromaticContact CE2-CG 3.62Å; F1058-W1091 HydrophobicContact CE2-CG 3.62Å; F1058-W1091 AromaticContact CG-CD1 3.46Å; F1058-W1091 VanDerWaalsContact CG-CD1 3.46Å; F1058-W1091 HydrophobicContact CG-CD2 4.31Å; F1058-W1091 AromaticContact CG-CG 3.92Å; F1058-W1091 HydrophobicContact CG-CG 3.92Å; F1058-W1091 AromaticContact CG-NE1 3.55Å; F1058-W1091 HydrophobicContact CZ-CB 3.65Å; F1058-W1091 AromaticContact CZ-CD1 3.98Å; F1058-W1091 AromaticContact CZ-CG 3.97Å; F1058-W1091 HydrophobicContact CZ-CG 3.97Å; V1074-W1091 HydrophobicContact CG1-CZ2 3.73Å; A1075-W1091 PolarHBondContact O-NE1 2.67Å; A1087-W1091 WeakPolarHBondContact O-CB 3.46Å; A1087-W1091 PolarHBondContact O-N 2.98Å; S1088-W1091 PolarHBondContact O-N 3.34Å; R1089-W1091 PolarHBondContact O-N 2.99Å; W1091-D1093 VanDerWaalsContact C-N 3.31Å; W1091-D1093 PolarHBondContact O-N 3.21Å; W1091-R1094 HydrophobicContact CE3-CB 4.06Å; W1091-R1094 HydrophobicContact CE3-CG 4.29Å; W1091-R1094 HydrophobicContact CZ3-CB 4.4Å; W1091-R1094 HydrophobicContact CZ3-CG 4.16Å; W1091-R1094 WeakPolarHBondContact O-CA 3.47Å; W1091-R1094 WeakPolarHBondContact O-CB 3.29Å; W1091-R1094 PolarHBondContact O-N 2.91Å; W1091-R1094 VanDerWaalsContact O-N 3.08Å; W1091-I1095 HydrophobicContact CD2-CD1 4.19Å; W1091-I1095 HydrophobicContact CD2-CG1 4.22Å; W1091-I1095 HydrophobicContact CG-CD1 4.29Å; W1091-I1095 HydrophobicContact CZ2-CD1 4.28Å; W1091-I1095 HydrophobicContact CZ2-CG1 4.16Å; W1091-I1095 WeakPolarHBondContact O-CG1 3.49Å; W1091-I1095 PolarHBondContact O-N 3.21Å
1092	I	94	Very high	90.2	Very high	14 Å²	14	59.8 Å²	59.8	7%	0.072	29%	0.288	C	S	.	.	H	α-helix	trans	-56.1	-46.6	173.7	-65.8	166.3	0	0	0	110.9	H1076 S1088 R1089 R1094 I1095 K1096 E1113 V1118	H1076-I1092 HydrophobicContact CB-CD1 4.39Å; H1076-I1092 HydrophobicContact CB-CG1 3.91Å; S1088-I1092 VanDerWaalsContact O-CG1 3.31Å; S1088-I1092 WeakPolarHBondContact O-CG1 3.26Å; S1088-I1092 PolarHBondContact O-N 3.45Å; R1089-I1092 PolarHBondContact O-N 3.47Å; I1092-R1094 VanDerWaalsContact C-N 3.26Å; I1092-R1094 PolarHBondContact O-N 2.92Å; I1092-I1095 PolarHBondContact O-N 3.32Å; I1092-K1096 HydrophobicContact CG2-CD 4.17Å; I1092-K1096 WeakPolarHBondContact O-CG 3.28Å; I1092-K1096 PolarHBondContact O-N 2.68Å; I1092-E1113 HydrophobicContact CG2-CG 4.14Å; I1092-V1118 HydrophobicContact CG1-CG2 3.88Å; I1092-V1118 HydrophobicContact CG2-CG2 4.32Å
1093	D	94.9	Very high	91.3	Very high	95 Å²	95	56.7 Å²	56.7	51%	0.508	27%	0.265	S	S	.	.	H	α-helix	trans	-62.4	-36.3	178	-71.5	-23	0	0	0	111.7	R1089 W1091 K1096 E1097	R1089-D1093 WeakPolarHBondContact O-CB 3.46Å; R1089-D1093 PolarHBondContact O-N 3.33Å; W1091-D1093 VanDerWaalsContact C-N 3.31Å; W1091-D1093 PolarHBondContact O-N 3.21Å; D1093-K1096 WeakPolarHBondContact O-CB 3.48Å; D1093-K1096 PolarHBondContact O-N 3.21Å; D1093-E1097 PolarHBondContact O-N 3.14Å
1094	R	94.3	Very high	91.8	Very high	61 Å²	61	61 Å²	61	23%	0.23	29%	0.293	C	S	.	.	H	α-helix	trans	-66	-43.8	174.4	-171	57.3	169.4	170.7	-1.1	111.7	Q1049 F1055 K1090 W1091 I1092 K1096 E1097 L1098	Q1049-R1094 HydrophobicContact CG-CG 4.41Å; Q1049-R1094 VanDerWaalsContact OE1-CZ 3.29Å; F1055-R1094 HydrophobicContact CE2-CB 4.49Å; F1055-R1094 HydrophobicContact CE2-CG 3.98Å; F1055-R1094 HydrophobicContact CZ-CB 4.1Å; F1055-R1094 HydrophobicContact CZ-CG 4.07Å; K1090-R1094 WeakPolarHBondContact O-CB 3.35Å; K1090-R1094 PolarHBondContact O-N 2.83Å; K1090-R1094 VanDerWaalsContact O-N 3.08Å; W1091-R1094 HydrophobicContact CE3-CB 4.06Å; W1091-R1094 HydrophobicContact CE3-CG 4.29Å; W1091-R1094 HydrophobicContact CZ3-CB 4.4Å; W1091-R1094 HydrophobicContact CZ3-CG 4.16Å; W1091-R1094 WeakPolarHBondContact O-CA 3.47Å; W1091-R1094 WeakPolarHBondContact O-CB 3.29Å; W1091-R1094 PolarHBondContact O-N 2.91Å; W1091-R1094 VanDerWaalsContact O-N 3.08Å; I1092-R1094 VanDerWaalsContact C-N 3.26Å; I1092-R1094 PolarHBondContact O-N 2.92Å; R1094-K1096 VanDerWaalsContact C-N 3.34Å; R1094-K1096 PolarHBondContact O-N 3.18Å; R1094-E1097 IonicContact CZ-OE2 2.68Å; R1094-E1097 IonicContact NH1-OE1 3.82Å; R1094-E1097 PolarHBondContact NH1-OE1 2.75Å; R1094-E1097 VanDerWaalsContact NH1-OE1 3.07Å; R1094-E1097 IonicContact NH1-OE2 3.8Å; R1094-E1097 PolarHBondContact NH1-OE2 2.98Å; R1094-E1097 WeakPolarHBondContact O-CB 3.21Å; R1094-E1097 PolarHBondContact O-N 3.26Å; R1094-L1098 WeakPolarHBondContact O-CG 3.4Å; R1094-L1098 PolarHBondContact O-N 3.13Å
1095	I	93.8	Very high	91.9	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-59.4	-46.4	175.1	-64	162.3	0	0	0	110.1	V1074 W1091 I1092 E1097 L1098 V1099 L1111 V1118	V1074-I1095 HydrophobicContact CB-CD1 3.91Å; V1074-I1095 HydrophobicContact CG1-CD1 3.62Å; V1074-I1095 HydrophobicContact CG1-CG1 4.31Å; W1091-I1095 HydrophobicContact CD2-CD1 4.19Å; W1091-I1095 HydrophobicContact CD2-CG1 4.22Å; W1091-I1095 HydrophobicContact CG-CD1 4.29Å; W1091-I1095 HydrophobicContact CZ2-CD1 4.28Å; W1091-I1095 HydrophobicContact CZ2-CG1 4.16Å; W1091-I1095 WeakPolarHBondContact O-CG1 3.49Å; W1091-I1095 PolarHBondContact O-N 3.21Å; I1092-I1095 PolarHBondContact O-N 3.32Å; I1095-E1097 VanDerWaalsContact C-N 3.28Å; I1095-E1097 PolarHBondContact O-N 2.83Å; I1095-L1098 PolarHBondContact O-N 2.71Å; I1095-L1098 VanDerWaalsContact O-N 3.14Å; I1095-V1099 HydrophobicContact CG2-CG2 4.35Å; I1095-V1099 WeakPolarHBondContact O-CG2 3.27Å; I1095-V1099 PolarHBondContact O-N 3.32Å; I1095-L1111 HydrophobicContact CG2-CD2 4.19Å; I1095-V1118 HydrophobicContact CD1-CB 4.26Å; I1095-V1118 HydrophobicContact CD1-CG2 4.22Å; I1095-V1118 HydrophobicContact CG2-CG1 4.18Å
1096	K	94.7	Very high	91.7	Very high	66 Å²	66	64.2 Å²	64.2	29%	0.287	31%	0.305	S	S	.	.	H	α-helix	trans	-55.3	-43	175.6	-75	168.7	179.3	171.5	0	112.2	I1092 D1093 R1094 R1100 L1111 E1113	I1092-K1096 HydrophobicContact CG2-CD 4.17Å; I1092-K1096 WeakPolarHBondContact O-CG 3.28Å; I1092-K1096 PolarHBondContact O-N 2.68Å; D1093-K1096 WeakPolarHBondContact O-CB 3.48Å; D1093-K1096 PolarHBondContact O-N 3.21Å; R1094-K1096 VanDerWaalsContact C-N 3.34Å; R1094-K1096 PolarHBondContact O-N 3.18Å; K1096-R1100 WeakPolarHBondContact O-CB 3.37Å; K1096-R1100 PolarHBondContact O-N 2.91Å; K1096-L1111 HydrophobicContact CB-CD1 4.36Å; K1096-L1111 HydrophobicContact CG-CD1 3.86Å; K1096-E1113 VanDerWaalsContact CE-CD 3.4Å; K1096-E1113 WeakPolarHBondContact CE-OE1 3.3Å; K1096-E1113 IonicContact NZ-OE1 3.11Å; K1096-E1113 PolarHBondContact NZ-OE1 2.89Å; K1096-E1113 IonicContact NZ-OE2 3.04Å; K1096-E1113 PolarHBondContact NZ-OE2 3.44Å
1097	E	94.7	Very high	91.5	Very high	75 Å²	75	61.1 Å²	61.1	35%	0.35	30%	0.295	S	S	.	.	H	α-helix	trans	-64	-42.6	177.4	-166.2	-158.6	140.1	0	0	112.3	D1093 R1094 I1095 R1100 R1101	D1093-E1097 PolarHBondContact O-N 3.14Å; R1094-E1097 IonicContact CZ-OE2 2.68Å; R1094-E1097 IonicContact NH1-OE1 3.82Å; R1094-E1097 PolarHBondContact NH1-OE1 2.75Å; R1094-E1097 VanDerWaalsContact NH1-OE1 3.07Å; R1094-E1097 IonicContact NH1-OE2 3.8Å; R1094-E1097 PolarHBondContact NH1-OE2 2.98Å; R1094-E1097 WeakPolarHBondContact O-CB 3.21Å; R1094-E1097 PolarHBondContact O-N 3.26Å; I1095-E1097 VanDerWaalsContact C-N 3.28Å; I1095-E1097 PolarHBondContact O-N 2.83Å; E1097-R1100 PolarHBondContact O-N 3.45Å; E1097-R1101 WeakPolarHBondContact O-CB 3.42Å; E1097-R1101 PolarHBondContact O-N 3Å; E1097-R1101 IonicContact OE1-NH2 3.26Å; E1097-R1101 PolarHBondContact OE1-NH2 3.35Å
1098	L	94.2	Very high	91.5	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-63.8	-46.7	177.4	-64.8	179.6	0	0	0	111.4	D1045 V1046 Q1049 R1094 I1095 R1100 R1101 V1102	D1045-L1098 HydrophobicContact CB-CD1 4.13Å; D1045-L1098 HydrophobicContact CB-CD2 4.06Å; D1045-L1098 HydrophobicContact CB-CG 4.46Å; V1046-L1098 HydrophobicContact CB-CD1 4.37Å; V1046-L1098 HydrophobicContact CG2-CD1 3.7Å; Q1049-L1098 HydrophobicContact CG-CD1 3.82Å; Q1049-L1098 HydrophobicContact CG-CD2 4.39Å; R1094-L1098 WeakPolarHBondContact O-CG 3.4Å; R1094-L1098 PolarHBondContact O-N 3.13Å; I1095-L1098 PolarHBondContact O-N 2.71Å; I1095-L1098 VanDerWaalsContact O-N 3.14Å; L1098-R1100 PolarHBondContact O-N 2.86Å; L1098-R1101 WeakPolarHBondContact O-CB 3.29Å; L1098-R1101 PolarHBondContact O-N 3.01Å; L1098-R1101 VanDerWaalsContact O-N 3.11Å; L1098-V1102 PolarHBondContact O-N 2.62Å; L1098-V1102 VanDerWaalsContact O-N 3.13Å
1099	V	93.5	Very high	91.4	Very high	9 Å²	9	62.5 Å²	62.5	6%	0.055	30%	0.295	C	S	.	.	H	α-helix	trans	-60.5	-46.7	177.2	174.4	0	0	0	0	110.7	V1042 I1095 R1101 V1102 D1103 L1109 L1111 V1120	V1042-V1099 HydrophobicContact CG1-CG2 3.8Å; V1042-V1099 HydrophobicContact CG2-CG2 4.46Å; I1095-V1099 HydrophobicContact CG2-CG2 4.35Å; I1095-V1099 WeakPolarHBondContact O-CG2 3.27Å; I1095-V1099 PolarHBondContact O-N 3.32Å; V1099-R1101 PolarHBondContact O-N 2.83Å; V1099-V1102 PolarHBondContact O-N 2.89Å; V1099-V1102 VanDerWaalsContact O-N 3.15Å; V1099-D1103 PolarHBondContact O-N 3.23Å; V1099-L1109 HydrophobicContact CG1-CB 4.08Å; V1099-L1109 HydrophobicContact CG1-CD1 4.06Å; V1099-L1111 HydrophobicContact CB-CD1 3.89Å; V1099-L1111 HydrophobicContact CB-CG 4.45Å; V1099-L1111 HydrophobicContact CG1-CD1 3.93Å; V1099-L1111 HydrophobicContact CG1-CG 4.22Å; V1099-L1111 HydrophobicContact CG2-CD1 4.07Å; V1099-L1111 HydrophobicContact CG2-CD2 4.15Å; V1099-L1111 HydrophobicContact CG2-CG 4.24Å; V1099-V1120 HydrophobicContact CG1-CG1 4.22Å; V1099-V1120 HydrophobicContact CG2-CG1 3.93Å; V1099-V1120 HydrophobicContact CG2-CG2 3.76Å
1100	R	93.2	Very high	91.1	Very high	165 Å²	165	59.7 Å²	59.7	62%	0.623	29%	0.288	S	S	*	.	H	α-helix	trans	-64.3	-24.9	176.9	-167.7	-175.3	69	87.7	1.6	113	K1096 E1097 L1098 D1103 P1104	K1096-R1100 WeakPolarHBondContact O-CB 3.37Å; K1096-R1100 PolarHBondContact O-N 2.91Å; E1097-R1100 PolarHBondContact O-N 3.45Å; L1098-R1100 PolarHBondContact O-N 2.86Å; R1100-D1103 CarbonylContact O-C 3.58Å; R1100-P1104 WeakPolarHBondContact O-CA 3.41Å; R1100-P1104 WeakPolarHBondContact O-CG 3.49Å
1101	R	93.1	Very high	91	Very high	120 Å²	120	57.1 Å²	57.1	45%	0.453	28%	0.279	S	S	.	.	H	α-helix	trans	-73.5	-38.6	175.2	-170.7	-172.5	-58.1	161.6	2.8	111.4	E1097 L1098 V1099	E1097-R1101 WeakPolarHBondContact O-CB 3.42Å; E1097-R1101 PolarHBondContact O-N 3Å; E1097-R1101 IonicContact OE1-NH2 3.26Å; E1097-R1101 PolarHBondContact OE1-NH2 3.35Å; L1098-R1101 WeakPolarHBondContact O-CB 3.29Å; L1098-R1101 PolarHBondContact O-N 3.01Å; L1098-R1101 VanDerWaalsContact O-N 3.11Å; V1099-R1101 PolarHBondContact O-N 2.83Å
1102	V	92.2	Very high	90.7	Very high	15 Å²	15	62.8 Å²	62.8	9%	0.091	30%	0.301	C	S	.	.	H	α-helix	trans	-79.4	-39.5	-180	177.3	0	0	0	0	111.7	L1038 Q1041 V1042 L1098 V1099	L1038-V1102 HydrophobicContact CB-CG1 4.16Å; L1038-V1102 HydrophobicContact CD2-CG1 3.63Å; L1038-V1102 HydrophobicContact CG-CG1 4.5Å; Q1041-V1102 HydrophobicContact CB-CG1 4.24Å; Q1041-V1102 HydrophobicContact CB-CG2 4.39Å; Q1041-V1102 HydrophobicContact CG-CG1 4.35Å; Q1041-V1102 HydrophobicContact CG-CG2 3.84Å; V1042-V1102 HydrophobicContact CG2-CB 3.73Å; V1042-V1102 HydrophobicContact CG2-CG1 3.82Å; V1042-V1102 HydrophobicContact CG2-CG2 3.78Å; L1098-V1102 PolarHBondContact O-N 2.62Å; L1098-V1102 VanDerWaalsContact O-N 3.13Å; V1099-V1102 PolarHBondContact O-N 2.89Å; V1099-V1102 VanDerWaalsContact O-N 3.15Å
1103	D	91.5	Very high	90.4	Very high	11 Å²	11	66.7 Å²	66.7	6%	0.059	32%	0.319	C	S	.	.			trans	-127.4	80.6	175.4	-175.7	17.3	0	0	0	111.1	V1099 R1100 E1105 G1106 T1107 Y1108 L1109	V1099-D1103 PolarHBondContact O-N 3.23Å; R1100-D1103 CarbonylContact O-C 3.58Å; D1103-E1105 VanDerWaalsContact C-N 3.26Å; D1103-E1105 PolarHBondContact O-N 3Å; D1103-G1106 PolarHBondContact O-N 2.97Å; D1103-G1106 PolarHBondContact OD1-N 3.2Å; D1103-G1106 VanDerWaalsContact OD2-C 3.28Å; D1103-G1106 WeakPolarHBondContact OD2-CA 3.5Å; D1103-T1107 PolarHBondContact OD1-N 3.16Å; D1103-T1107 VanDerWaalsContact OD1-N 3.12Å; D1103-T1107 PolarHBondContact OD2-N 2.87Å; D1103-Y1108 WeakPolarHBondContact OD2-CA 3.44Å; D1103-Y1108 PolarHBondContact OD2-N 2.95Å; D1103-L1109 HydrophobicContact CB-CB 4.35Å; D1103-L1109 HydrophobicContact CB-CD1 3.87Å; D1103-L1109 HydrophobicContact CB-CG 4.14Å; D1103-L1109 PolarHBondContact OD2-N 3.07Å
1104	P	89	Confident	89.7	Confident	93 Å²	93	63.4 Å²	63.4	60%	0.604	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-27	-176.1	-22.1	33	0	0	0	115	R1100	R1100-P1104 WeakPolarHBondContact O-CA 3.41Å; R1100-P1104 WeakPolarHBondContact O-CG 3.49Å
1105	E	85.8	Confident	88.9	Confident	168 Å²	168	66.8 Å²	66.8	79%	0.785	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	-11.5	-178.6	-65.6	-179.3	174.5	0	0	112.3	D1103 T1107	D1103-E1105 VanDerWaalsContact C-N 3.26Å; D1103-E1105 PolarHBondContact O-N 3Å; E1105-T1107 WeakPolarHBondContact CB-OG1 3.36Å; E1105-T1107 PolarHBondContact O-N 3.45Å; E1105-T1107 PolarHBondContact OE2-OG1 3.01Å
1106	G	83.7	Confident	88.2	Confident	37 Å²	37	68.8 Å²	68.8	38%	0.381	34%	0.337	S	S	.	.			trans	63.6	29.2	-172.8	0	0	0	0	0	112.2	D1103 H1123	D1103-G1106 PolarHBondContact O-N 2.97Å; D1103-G1106 PolarHBondContact OD1-N 3.2Å; D1103-G1106 VanDerWaalsContact OD2-C 3.28Å; D1103-G1106 WeakPolarHBondContact OD2-CA 3.5Å; G1106-H1123 PolarHBondContact O-CE1 3.26Å; G1106-H1123 VanDerWaalsContact O-CE1 3.31Å
1107	T	84.4	Confident	87.8	Confident	69 Å²	69	66.4 Å²	66.4	42%	0.423	33%	0.327	S	S	.	.	S	Bend	trans	-75.3	-32.5	-174.6	-64.3	0	0	0	0	111.1	D1103 E1105 H1123	D1103-T1107 PolarHBondContact OD1-N 3.16Å; D1103-T1107 VanDerWaalsContact OD1-N 3.12Å; D1103-T1107 PolarHBondContact OD2-N 2.87Å; E1105-T1107 WeakPolarHBondContact CB-OG1 3.36Å; E1105-T1107 PolarHBondContact O-N 3.45Å; E1105-T1107 PolarHBondContact OE2-OG1 3.01Å; T1107-H1123 PolarHBondContact O-ND1 3.09Å
1108	Y	85.3	Confident	87.7	Confident	51 Å²	51	62.9 Å²	62.9	20%	0.2	31%	0.311	C	S	.	.	S	Bend	trans	-115.4	-32.4	-170.4	-61.2	-78.8	0	0	0	113.6	K1034 E1035 L1038 D1103 L1122 H1123	K1034-Y1108 PolarHBondContact NZ-OH 3.26Å; E1035-Y1108 HydrophobicContact CG-CD1 3.81Å; E1035-Y1108 HydrophobicContact CG-CE1 4.32Å; L1038-Y1108 HydrophobicContact CD1-CD1 4.39Å; L1038-Y1108 HydrophobicContact CD1-CD2 3.65Å; L1038-Y1108 HydrophobicContact CD1-CE2 4.3Å; L1038-Y1108 HydrophobicContact CD1-CG 3.69Å; D1103-Y1108 WeakPolarHBondContact OD2-CA 3.44Å; D1103-Y1108 PolarHBondContact OD2-N 2.95Å; Y1108-L1122 WeakPolarHBondContact O-CA 3.33Å; Y1108-H1123 PolarHBondContact O-N 2.87Å
1109	L	88.7	Confident	87.5	Confident	12 Å²	12	66 Å²	66	6%	0.063	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	134.3	-169.2	-59.2	175.6	0	0	0	112.9	L1039 V1042 V1099 D1103 V1120 L1121 L1122	L1039-L1109 HydrophobicContact CD2-CD2 3.63Å; L1039-L1109 HydrophobicContact CG-CD2 4.23Å; V1042-L1109 HydrophobicContact CG2-CD1 3.84Å; V1099-L1109 HydrophobicContact CG1-CB 4.08Å; V1099-L1109 HydrophobicContact CG1-CD1 4.06Å; D1103-L1109 HydrophobicContact CB-CB 4.35Å; D1103-L1109 HydrophobicContact CB-CD1 3.87Å; D1103-L1109 HydrophobicContact CB-CG 4.14Å; D1103-L1109 PolarHBondContact OD2-N 3.07Å; L1109-V1120 HydrophobicContact CB-CG1 4.11Å; L1109-V1120 HydrophobicContact CD1-CG1 4.25Å; L1109-V1120 HydrophobicContact CD2-CG1 4.08Å; L1109-V1120 HydrophobicContact CG-CG1 4.38Å; L1109-L1121 WeakPolarHBondContact CA-O 3.39Å; L1109-L1122 HydrophobicContact CD2-CD2 3.66Å; L1109-L1122 HydrophobicContact CD2-CG 4.34Å
1110	E	87	Confident	87.4	Confident	86 Å²	86	65.6 Å²	65.6	40%	0.402	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	137.5	171.3	-170.1	173.1	-171.4	0	0	110.3	V1120 L1121 V1130	E1110-V1120 CarbonylContact O-C 3.48Å; E1110-V1120 WeakPolarHBondContact O-CA 3.32Å; E1110-L1121 PolarHBondContact N-O 2.62Å; E1110-L1121 PolarHBondContact O-N 2.92Å; E1110-V1130 VanDerWaalsContact OE2-CG2 3.31Å; E1110-V1130 WeakPolarHBondContact OE2-CG2 3.46Å
1111	L	89.6	Confident	87.1	Confident	51 Å²	51	58.7 Å²	58.7	27%	0.267	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	123.6	176.2	-88.6	161.6	0	0	0	110.2	I1095 K1096 V1099 V1118 V1120	I1095-L1111 HydrophobicContact CG2-CD2 4.19Å; K1096-L1111 HydrophobicContact CB-CD1 4.36Å; K1096-L1111 HydrophobicContact CG-CD1 3.86Å; V1099-L1111 HydrophobicContact CB-CD1 3.89Å; V1099-L1111 HydrophobicContact CB-CG 4.45Å; V1099-L1111 HydrophobicContact CG1-CD1 3.93Å; V1099-L1111 HydrophobicContact CG1-CG 4.22Å; V1099-L1111 HydrophobicContact CG2-CD1 4.07Å; V1099-L1111 HydrophobicContact CG2-CD2 4.15Å; V1099-L1111 HydrophobicContact CG2-CG 4.24Å; L1111-V1118 HydrophobicContact CD2-CG1 3.34Å; L1111-V1120 HydrophobicContact CD2-CG2 3.73Å
1112	Y	87	Confident	86.9	Confident	120 Å²	120	53.1 Å²	53.1	47%	0.471	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	115.4	171.4	-179.9	-96.2	0	0	0	109.8	G1114 V1118 R1119	Y1112-G1114 PolarHBondContact O-N 3.01Å; Y1112-V1118 CarbonylContact O-C 3.43Å; Y1112-V1118 WeakPolarHBondContact O-CA 3.26Å; Y1112-R1119 PolarHBondContact N-O 3.37Å; Y1112-R1119 PolarHBondContact O-N 3.1Å
1113	E	88.3	Confident	86.3	Confident	96 Å²	96	55.2 Å²	55.2	45%	0.449	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	104.6	175.3	-72.5	167.7	-116.3	0	0	109.6	I1092 K1096 V1118	I1092-E1113 HydrophobicContact CG2-CG 4.14Å; K1096-E1113 VanDerWaalsContact CE-CD 3.4Å; K1096-E1113 WeakPolarHBondContact CE-OE1 3.3Å; K1096-E1113 IonicContact NZ-OE1 3.11Å; K1096-E1113 PolarHBondContact NZ-OE1 2.89Å; K1096-E1113 IonicContact NZ-OE2 3.04Å; K1096-E1113 PolarHBondContact NZ-OE2 3.44Å; E1113-V1118 HydrophobicContact CG-CG2 4.35Å
1114	G	80.7	Confident	85.1	Confident	26 Å²	26	55.5 Å²	55.5	27%	0.268	29%	0.286	S	S	.	.			trans	-82.2	-172.6	171.1	0	0	0	0	0	112.5	H1076 Y1112 D1117	H1076-G1114 PolarHBondContact NE2-O 3.1Å; Y1112-G1114 PolarHBondContact O-N 3.01Å; G1114-D1117 WeakPolarHBondContact CA-O 3.41Å; G1114-D1117 PolarHBondContact N-O 2.97Å
1115	K	76.7	Confident	83.7	Confident	131 Å²	131	57.1 Å²	57.1	57%	0.57	29%	0.285	S	S	*	.	S	Bend	trans	-72.6	-41.7	176.4	-174.8	-176.9	178	-174.7	0	112.2	H1076 H1191	H1076-K1115 PolarHBondContact CE1-O 3.5Å; K1115-H1191 PolarHBondContact NZ-NE2 3.32Å; K1115-H1191 VanDerWaalsContact NZ-NE2 3.14Å
1116	T	79.3	Confident	82.2	Confident	43 Å²	43	53.9 Å²	53.9	26%	0.264	28%	0.281	S	S	.	.	S	Bend	trans	-111.7	-26.8	-175.1	48	0	0	0	0	113.2	H1076 Q1077	H1076-T1116 PolarHBondContact CD2-O 3.3Å; H1076-T1116 PolarHBondContact N-O 3.21Å; H1076-T1116 VanDerWaalsContact NE2-C 3.3Å; Q1077-T1116 PolarHBondContact N-O 2.96Å; Q1077-T1116 WeakPolarHBondContact O-CB 3.26Å
1117	D	87.1	Confident	81.1	Confident	16 Å²	16	56.3 Å²	56.3	9%	0.086	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	146.9	-169.9	-49.4	-81.2	0	0	0	111.8	S1063 T1073 V1074 A1075 H1076 G1114	S1063-D1117 WeakPolarHBondContact CB-OD1 3.33Å; S1063-D1117 PolarHBondContact OG-OD1 3.19Å; S1063-D1117 VanDerWaalsContact OG-OD1 3.1Å; S1063-D1117 PolarHBondContact OG-OD2 2.91Å; T1073-D1117 HydrophobicContact CG2-CB 3.66Å; V1074-D1117 CarbonylContact O-C 3.51Å; V1074-D1117 VanDerWaalsContact O-CA 3.32Å; V1074-D1117 WeakPolarHBondContact O-CA 3.14Å; A1075-D1117 WeakPolarHBondContact CA-OD1 3.45Å; A1075-D1117 WeakPolarHBondContact CB-OD1 3.42Å; H1076-D1117 VanDerWaalsContact CD2-CA 3.5Å; H1076-D1117 WeakPolarHBondContact CD2-CA 3.33Å; H1076-D1117 PolarHBondContact CD2-N 2.9Å; H1076-D1117 PolarHBondContact NE2-N 2.84Å; G1114-D1117 WeakPolarHBondContact CA-O 3.41Å; G1114-D1117 PolarHBondContact N-O 2.97Å
1118	V	91.5	Very high	80.2	Confident	1 Å²	1	56 Å²	56	1%	0.006	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	128.1	168.2	-179.2	0	0	0	0	108.4	V1074 I1092 I1095 L1111 Y1112 E1113	V1074-V1118 PolarHBondContact N-O 3.45Å; V1074-V1118 PolarHBondContact O-N 2.72Å; I1092-V1118 HydrophobicContact CG1-CG2 3.88Å; I1092-V1118 HydrophobicContact CG2-CG2 4.32Å; I1095-V1118 HydrophobicContact CD1-CB 4.26Å; I1095-V1118 HydrophobicContact CD1-CG2 4.22Å; I1095-V1118 HydrophobicContact CG2-CG1 4.18Å; L1111-V1118 HydrophobicContact CD2-CG1 3.34Å; Y1112-V1118 CarbonylContact O-C 3.43Å; Y1112-V1118 WeakPolarHBondContact O-CA 3.26Å; E1113-V1118 HydrophobicContact CG-CG2 4.35Å
1119	R	90.1	Very high	79.6	Confident	66 Å²	66	61.1 Å²	61.1	25%	0.249	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	130.7	174.7	-60.9	178.1	-175.6	171.7	0.4	109.9	I1072 T1073 Y1112 L1121	I1072-R1119 CarbonylContact O-C 3.59Å; I1072-R1119 VanDerWaalsContact O-CA 3.29Å; I1072-R1119 WeakPolarHBondContact O-CA 3.38Å; T1073-R1119 HydrophobicContact CG2-CG 4.23Å; Y1112-R1119 PolarHBondContact N-O 3.37Å; Y1112-R1119 PolarHBondContact O-N 3.1Å; R1119-L1121 HydrophobicContact CB-CG 4.33Å
1120	V	91.4	Very high	79.2	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	111	170	-167.5	0	0	0	0	107.5	L1039 V1042 H1071 I1072 V1099 L1109 E1110 L1111	L1039-V1120 HydrophobicContact CD2-CG1 4.4Å; V1042-V1120 HydrophobicContact CG1-CG2 4.48Å; H1071-V1120 CarbonylContact C-O 3.54Å; H1071-V1120 WeakPolarHBondContact CA-O 3.35Å; H1071-V1120 VanDerWaalsContact CB-O 3.24Å; H1071-V1120 WeakPolarHBondContact CB-O 3.35Å; I1072-V1120 HydrophobicContact CD1-CB 4.11Å; I1072-V1120 HydrophobicContact CD1-CG2 3.75Å; I1072-V1120 HydrophobicContact CG1-CB 3.51Å; I1072-V1120 HydrophobicContact CG1-CG2 3.61Å; I1072-V1120 PolarHBondContact N-O 2.85Å; I1072-V1120 PolarHBondContact O-N 3.45Å; V1099-V1120 HydrophobicContact CG1-CG1 4.22Å; V1099-V1120 HydrophobicContact CG2-CG1 3.93Å; V1099-V1120 HydrophobicContact CG2-CG2 3.76Å; L1109-V1120 HydrophobicContact CB-CG1 4.11Å; L1109-V1120 HydrophobicContact CD1-CG1 4.25Å; L1109-V1120 HydrophobicContact CD2-CG1 4.08Å; L1109-V1120 HydrophobicContact CG-CG1 4.38Å; E1110-V1120 CarbonylContact O-C 3.48Å; E1110-V1120 WeakPolarHBondContact O-CA 3.32Å; L1111-V1120 HydrophobicContact CD2-CG2 3.73Å
1121	L	87.4	Confident	79.2	Confident	20 Å²	20	60 Å²	60	11%	0.105	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	146.4	-171.7	-61.2	156.5	0	0	0	109.8	H1071 L1109 E1110 R1119 V1130	H1071-L1121 HydrophobicContact CB-CD2 3.76Å; L1109-L1121 WeakPolarHBondContact CA-O 3.39Å; E1110-L1121 PolarHBondContact N-O 2.62Å; E1110-L1121 PolarHBondContact O-N 2.92Å; R1119-L1121 HydrophobicContact CB-CG 4.33Å; L1121-V1130 HydrophobicContact CD1-CG1 4.1Å; L1121-V1130 HydrophobicContact CD2-CG1 4.31Å
1122	L	87.6	Confident	79.2	Confident	3 Å²	3	59.7 Å²	59.7	2%	0.016	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	139.1	168.6	-77.2	169.8	0	0	0	112.2	I1031 E1035 L1039 G1070 Y1108 L1109	I1031-L1122 HydrophobicContact CD1-CD1 4.35Å; I1031-L1122 HydrophobicContact CG1-CD1 4.45Å; I1031-L1122 HydrophobicContact CG2-CD1 3.61Å; E1035-L1122 HydrophobicContact CB-CD1 3.86Å; E1035-L1122 HydrophobicContact CB-CD2 3.72Å; E1035-L1122 HydrophobicContact CB-CG 4.47Å; E1035-L1122 HydrophobicContact CG-CD2 4.07Å; L1039-L1122 HydrophobicContact CD1-CD1 3.5Å; L1039-L1122 HydrophobicContact CD1-CD2 4.49Å; L1039-L1122 HydrophobicContact CD1-CG 3.71Å; L1039-L1122 HydrophobicContact CD2-CG 4.37Å; L1039-L1122 HydrophobicContact CG-CD1 4.13Å; L1039-L1122 HydrophobicContact CG-CD2 4.28Å; L1039-L1122 HydrophobicContact CG-CG 3.98Å; G1070-L1122 PolarHBondContact O-N 3.4Å; Y1108-L1122 WeakPolarHBondContact O-CA 3.33Å; L1109-L1122 HydrophobicContact CD2-CD2 3.66Å; L1109-L1122 HydrophobicContact CD2-CG 4.34Å
1123	H	79.8	Confident	79.5	Confident	59 Å²	59	54.3 Å²	54.3	27%	0.273	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-65.1	136.9	166.1	-67	156.7	0	0	0	111.1	G1106 T1107 Y1108 H1125	G1106-H1123 PolarHBondContact O-CE1 3.26Å; G1106-H1123 VanDerWaalsContact O-CE1 3.31Å; T1107-H1123 PolarHBondContact O-ND1 3.09Å; Y1108-H1123 PolarHBondContact O-N 2.87Å; H1123-H1125 PolarHBondContact O-N 2.86Å
1124	S	66.4	Low	79.8	Confident	17 Å²	17	49.8 Å²	49.8	12%	0.119	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-74.7	120.2	169.1	178.1	0	0	0	0	110.7	S1126 T1127 G1128 K1129	S1124-S1126 PolarHBondContact O-N 2.68Å; S1124-S1126 VanDerWaalsContact O-N 3.15Å; S1124-S1126 PolarHBondContact OG-OG 2.89Å; S1124-T1127 WeakPolarHBondContact CB-OG1 3.33Å; S1124-T1127 PolarHBondContact OG-OG1 2.84Å; S1124-G1128 PolarHBondContact O-N 2.85Å; S1124-K1129 WeakPolarHBondContact CB-O 3.42Å
1125	H	59.3	Low	80.4	Confident	127 Å²	127	50.6 Å²	50.6	59%	0.588	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-29.4	176.4	-92.3	-57.5	0	0	0	114.6	E1035 H1123	E1035-H1125 VanDerWaalsContact CD-CD2 3.46Å; E1035-H1125 IonicContact OE1-CD2 3.85Å; E1035-H1125 PolarHBondContact OE1-CD2 2.67Å; E1035-H1125 IonicContact OE1-CE1 2.89Å; E1035-H1125 IonicContact OE1-CG 3.72Å; E1035-H1125 IonicContact OE1-NE2 2.56Å; E1035-H1125 PolarHBondContact OE1-NE2 3.42Å; E1035-H1125 VanDerWaalsContact OE1-NE2 3.14Å; E1035-H1125 IonicContact OE2-CD2 2.99Å; E1035-H1125 PolarHBondContact OE2-CD2 3.12Å; E1035-H1125 IonicContact OE2-NE2 2.84Å; H1123-H1125 PolarHBondContact O-N 2.86Å
1126	S	55.7	Low	81.2	Confident	100 Å²	100	44.3 Å²	44.3	70%	0.699	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-26.8	-172.1	57.9	0	0	0	0	114.8	S1124	S1124-S1126 PolarHBondContact O-N 2.68Å; S1124-S1126 VanDerWaalsContact O-N 3.15Å; S1124-S1126 PolarHBondContact OG-OG 2.89Å
1127	T	59.4	Low	82	Confident	88 Å²	88	42.3 Å²	42.3	54%	0.54	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-17.5	-171.9	60.1	0	0	0	0	114.4	S1124 K1129	S1124-T1127 WeakPolarHBondContact CB-OG1 3.33Å; S1124-T1127 PolarHBondContact OG-OG1 2.84Å; T1127-K1129 PolarHBondContact O-N 3.22Å; T1127-K1129 PolarHBondContact OG1-N 2.83Å
1128	G	65.7	Low	82.3	Confident	64 Å²	64	46.2 Å²	46.2	66%	0.66	25%	0.251	S	S	*	.	S	Bend	trans	63.8	12.9	-167.8	0	0	0	0	0	113.7	S1124	S1124-G1128 PolarHBondContact O-N 2.85Å
1129	K	73.6	Confident	82.4	Confident	157 Å²	157	47.1 Å²	47.1	68%	0.683	26%	0.255	S	S	*	.	S	Bend	trans	-106.6	152.9	178.3	-65.4	-177	178.7	180	0	111.1	S1124 T1127	S1124-K1129 WeakPolarHBondContact CB-O 3.42Å; T1127-K1129 PolarHBondContact O-N 3.22Å; T1127-K1129 PolarHBondContact OG1-N 2.83Å
1130	V	78.8	Confident	82.6	Confident	50 Å²	50	44 Å²	44	30%	0.303	24%	0.244	S	C	.	.			trans	-68.9	136.6	171.2	-178.1	0	0	0	0	109.4	E1110 L1121 T1132	E1110-V1130 VanDerWaalsContact OE2-CG2 3.31Å; E1110-V1130 WeakPolarHBondContact OE2-CG2 3.46Å; L1121-V1130 HydrophobicContact CD1-CG1 4.1Å; L1121-V1130 HydrophobicContact CD2-CG1 4.31Å; V1130-T1132 WeakPolarHBondContact O-CG2 3.42Å; V1130-T1132 PolarHBondContact O-N 2.93Å
1131	F	87.1	Confident	82.8	Confident	25 Å²	25	44.5 Å²	44.5	11%	0.11	25%	0.248	C	C	.	.			trans	-67.4	128.5	175.4	-170.6	-78.8	0	0	0	110.5	I1014 R1016 D1135 L1139	I1014-F1131 WeakPolarHBondContact O-CE1 3.45Å; R1016-F1131 HydrophobicContact CB-CE1 4.38Å; R1016-F1131 HydrophobicContact CG-CD1 3.5Å; R1016-F1131 VanDerWaalsContact CG-CD1 3.5Å; R1016-F1131 HydrophobicContact CG-CD2 4.12Å; R1016-F1131 HydrophobicContact CG-CE1 3.4Å; R1016-F1131 VanDerWaalsContact CG-CE1 3.4Å; R1016-F1131 HydrophobicContact CG-CE2 4.03Å; R1016-F1131 HydrophobicContact CG-CG 3.88Å; R1016-F1131 HydrophobicContact CG-CZ 3.68Å; F1131-D1135 HydrophobicContact CD1-CB 4.3Å; F1131-D1135 HydrophobicContact CD2-CB 4.01Å; F1131-D1135 HydrophobicContact CE1-CB 4.17Å; F1131-D1135 HydrophobicContact CE2-CB 3.89Å; F1131-D1135 HydrophobicContact CG-CB 4.21Å; F1131-D1135 HydrophobicContact CZ-CB 3.97Å; F1131-L1139 HydrophobicContact CZ-CD2 4.5Å
1132	T	90.5	Very high	83	Confident	45 Å²	45	50 Å²	50	28%	0.276	27%	0.273	S	S	.	.			trans	-113.5	166.9	-176.5	67.7	0	0	0	0	111.8	V1130 G1134 D1135 G1136 P1164	V1130-T1132 WeakPolarHBondContact O-CG2 3.42Å; V1130-T1132 PolarHBondContact O-N 2.93Å; T1132-G1134 PolarHBondContact O-N 2.88Å; T1132-G1134 PolarHBondContact OG1-N 3.37Å; T1132-D1135 PolarHBondContact N-OD2 3.3Å; T1132-D1135 WeakPolarHBondContact O-CB 3.43Å; T1132-D1135 PolarHBondContact O-N 2.76Å; T1132-D1135 PolarHBondContact OG1-N 2.88Å; T1132-D1135 PolarHBondContact OG1-OD2 2.89Å; T1132-G1136 PolarHBondContact O-N 3.4Å; T1132-P1164 HydrophobicContact CG2-CB 4.33Å; T1132-P1164 HydrophobicContact CG2-CG 4.19Å
1133	K	93.7	Very high	83.2	Confident	7 Å²	7	53.3 Å²	53.3	3%	0.03	29%	0.288	C	S	.	.	H	α-helix	trans	-59.2	-28.8	173.8	-65.2	-170	-179.7	-175.9	0	112.3	D948 L987 I1014 G1136 I1137 D1162 M1165	D948-K1133 VanDerWaalsContact CG-NZ 3.3Å; D948-K1133 IonicContact OD1-NZ 3.08Å; D948-K1133 PolarHBondContact OD1-NZ 2.83Å; L987-K1133 HydrophobicContact CB-CD 4.29Å; L987-K1133 HydrophobicContact CD2-CB 4.32Å; L987-K1133 WeakPolarHBondContact O-CE 3.48Å; L987-K1133 PolarHBondContact O-NZ 2.96Å; I1014-K1133 HydrophobicContact CG2-CB 4.4Å; I1014-K1133 HydrophobicContact CG2-CG 3.6Å; K1133-G1136 WeakPolarHBondContact O-CA 3.42Å; K1133-G1136 PolarHBondContact O-N 3.2Å; K1133-I1137 PolarHBondContact O-N 3.39Å; K1133-D1162 WeakPolarHBondContact CE-OD1 3.27Å; K1133-D1162 IonicContact NZ-OD1 3.32Å; K1133-D1162 PolarHBondContact NZ-OD1 3.16Å; K1133-M1165 HydrophobicContact CB-CG 3.39Å; K1133-M1165 HydrophobicContact CB-SD 4.01Å; K1133-M1165 HydrophobicContact CD-CE 3.97Å; K1133-M1165 HydrophobicContact CD-CG 4.19Å; K1133-M1165 HydrophobicContact CD-SD 3.91Å; K1133-M1165 HydrophobicContact CG-CG 4.43Å
1134	G	93.9	Very high	83.8	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-64.2	-41.1	172.5	0	0	0	0	0	112.6	T1132 G1136 I1137 R1138	T1132-G1134 PolarHBondContact O-N 2.88Å; T1132-G1134 PolarHBondContact OG1-N 3.37Å; G1134-G1136 VanDerWaalsContact C-N 3.28Å; G1134-G1136 PolarHBondContact O-N 2.81Å; G1134-I1137 PolarHBondContact O-N 3.33Å; G1134-R1138 PolarHBondContact O-N 3.02Å
1135	D	93.1	Very high	84.9	Confident	42 Å²	42	58.6 Å²	58.6	23%	0.225	32%	0.316	C	S	.	.	H	α-helix	trans	-65.7	-34.6	172.4	-56.2	-61.3	0	0	0	111.5	F1131 T1132 R1138 L1139	F1131-D1135 HydrophobicContact CD1-CB 4.3Å; F1131-D1135 HydrophobicContact CD2-CB 4.01Å; F1131-D1135 HydrophobicContact CE1-CB 4.17Å; F1131-D1135 HydrophobicContact CE2-CB 3.89Å; F1131-D1135 HydrophobicContact CG-CB 4.21Å; F1131-D1135 HydrophobicContact CZ-CB 3.97Å; T1132-D1135 PolarHBondContact N-OD2 3.3Å; T1132-D1135 WeakPolarHBondContact O-CB 3.43Å; T1132-D1135 PolarHBondContact O-N 2.76Å; T1132-D1135 PolarHBondContact OG1-N 2.88Å; T1132-D1135 PolarHBondContact OG1-OD2 2.89Å; D1135-R1138 WeakPolarHBondContact O-CB 3.36Å; D1135-R1138 PolarHBondContact O-N 2.97Å; D1135-R1138 IonicContact OD1-CZ 3.97Å; D1135-R1138 IonicContact OD1-NH1 3.88Å; D1135-R1138 PolarHBondContact OD1-NH1 2.82Å; D1135-R1138 IonicContact OD1-NH2 3.72Å; D1135-L1139 WeakPolarHBondContact O-CB 3.42Å; D1135-L1139 PolarHBondContact O-N 2.87Å
1136	G	94.2	Very high	86.5	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-59.4	-44.9	171.2	0	0	0	0	0	113.4	G1015 W1018 T1132 K1133 G1134 R1138 L1139 F1140	G1015-G1136 WeakPolarHBondContact O-CA 3.19Å; W1018-G1136 WeakPolarHBondContact CZ2-O 3.44Å; W1018-G1136 PolarHBondContact NE1-O 3.09Å; T1132-G1136 PolarHBondContact O-N 3.4Å; K1133-G1136 WeakPolarHBondContact O-CA 3.42Å; K1133-G1136 PolarHBondContact O-N 3.2Å; G1134-G1136 VanDerWaalsContact C-N 3.28Å; G1134-G1136 PolarHBondContact O-N 2.81Å; G1136-R1138 VanDerWaalsContact C-N 3.33Å; G1136-L1139 PolarHBondContact O-N 2.84Å; G1136-F1140 PolarHBondContact O-N 3.49Å
1137	I	96	Very high	88.2	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-63.2	-41	174.2	-65.1	174.2	0	0	0	110.8	F946 L987 K1133 G1134 L1139 F1140 A1141 L1148 M1165 M1169	F946-I1137 HydrophobicContact CB-CD1 4.08Å; F946-I1137 HydrophobicContact CD1-CD1 4.15Å; F946-I1137 HydrophobicContact CD1-CG1 4.08Å; F946-I1137 HydrophobicContact CD2-CD1 4.06Å; F946-I1137 HydrophobicContact CD2-CG2 4.47Å; F946-I1137 HydrophobicContact CE1-CG1 4.29Å; F946-I1137 HydrophobicContact CE1-CG2 4.14Å; F946-I1137 HydrophobicContact CE2-CG2 3.95Å; F946-I1137 HydrophobicContact CG-CD1 3.83Å; F946-I1137 HydrophobicContact CG-CG1 4.28Å; F946-I1137 HydrophobicContact CZ-CG2 3.77Å; L987-I1137 HydrophobicContact CD1-CG1 4.39Å; L987-I1137 HydrophobicContact CD2-CD1 4.38Å; L987-I1137 HydrophobicContact CD2-CG1 3.58Å; K1133-I1137 PolarHBondContact O-N 3.39Å; G1134-I1137 PolarHBondContact O-N 3.33Å; I1137-L1139 PolarHBondContact O-N 2.86Å; I1137-F1140 WeakPolarHBondContact O-CB 3.35Å; I1137-F1140 PolarHBondContact O-N 2.8Å; I1137-A1141 WeakPolarHBondContact O-CB 3.46Å; I1137-A1141 PolarHBondContact O-N 3.18Å; I1137-L1148 HydrophobicContact CG2-CD1 3.96Å; I1137-M1165 HydrophobicContact CD1-CB 3.72Å; I1137-M1165 HydrophobicContact CD1-CG 3.81Å; I1137-M1165 HydrophobicContact CD1-SD 4.31Å; I1137-M1169 HydrophobicContact CB-CE 4.47Å; I1137-M1169 HydrophobicContact CD1-CE 4.45Å; I1137-M1169 HydrophobicContact CG2-CE 3.52Å; I1137-M1169 HydrophobicContact CG2-SD 4.38Å
1138	R	94	Very high	89.8	Confident	98 Å²	98	50 Å²	50	37%	0.37	26%	0.263	S	S	.	.	H	α-helix	trans	-62.4	-44	177.4	-166.7	-176.7	-57.5	129	3.2	111.8	G1134 D1135 G1136 F1140 A1141 Q1142 E1168	G1134-R1138 PolarHBondContact O-N 3.02Å; D1135-R1138 WeakPolarHBondContact O-CB 3.36Å; D1135-R1138 PolarHBondContact O-N 2.97Å; D1135-R1138 IonicContact OD1-CZ 3.97Å; D1135-R1138 IonicContact OD1-NH1 3.88Å; D1135-R1138 PolarHBondContact OD1-NH1 2.82Å; D1135-R1138 IonicContact OD1-NH2 3.72Å; G1136-R1138 VanDerWaalsContact C-N 3.33Å; R1138-F1140 VanDerWaalsContact C-N 3.34Å; R1138-A1141 PolarHBondContact O-N 3.23Å; R1138-Q1142 VanDerWaalsContact O-CG 3.26Å; R1138-Q1142 WeakPolarHBondContact O-CG 3.36Å; R1138-Q1142 PolarHBondContact O-N 3.46Å; R1138-E1168 IonicContact CZ-OE1 3.75Å; R1138-E1168 IonicContact CZ-OE2 3.07Å; R1138-E1168 IonicContact NE-OE1 3.69Å; R1138-E1168 PolarHBondContact NE-OE1 2.99Å; R1138-E1168 IonicContact NH2-OE1 3.92Å; R1138-E1168 PolarHBondContact NH2-OE1 3.29Å; R1138-E1168 IonicContact NH2-OE2 2.93Å; R1138-E1168 PolarHBondContact NH2-OE2 3.26Å
1139	L	93.8	Very high	91.1	Very high	21 Å²	21	49.4 Å²	49.4	11%	0.11	25%	0.252	C	S	.	.	H	α-helix	trans	-59.4	-46.3	174.5	177.4	64.2	0	0	0	111	F1026 D1028 F1131 D1135 G1136 I1137 Q1142 E1143	F1026-L1139 HydrophobicContact CE2-CG 4.2Å; D1028-L1139 HydrophobicContact CB-CD2 3.89Å; F1131-L1139 HydrophobicContact CZ-CD2 4.5Å; D1135-L1139 WeakPolarHBondContact O-CB 3.42Å; D1135-L1139 PolarHBondContact O-N 2.87Å; G1136-L1139 PolarHBondContact O-N 2.84Å; I1137-L1139 PolarHBondContact O-N 2.86Å; L1139-Q1142 PolarHBondContact O-N 2.88Å; L1139-E1143 HydrophobicContact CD1-CG 4.16Å; L1139-E1143 WeakPolarHBondContact O-CG 3.28Å; L1139-E1143 PolarHBondContact O-N 2.98Å
1140	F	94.3	Very high	91.8	Very high	1 Å²	1	45.1 Å²	45.1	0%	0.004	24%	0.241	C	C	.	.	H	α-helix	trans	-59.4	-48.5	176.6	173.8	-106.6	0	0	0	112.5	F946 C1009 W1018 I1020 F1026 G1136 I1137 R1138 Q1142 E1143 M1144 L1146	F946-F1140 AromaticContact CE1-CD1 3.94Å; F946-F1140 HydrophobicContact CE1-CD1 3.94Å; F946-F1140 AromaticContact CE1-CE1 3.98Å; F946-F1140 HydrophobicContact CE1-CE1 3.98Å; F946-F1140 HydrophobicContact CZ-CD1 4.23Å; F946-F1140 HydrophobicContact CZ-CE1 4.25Å; C1009-F1140 HydrophobicContact CB-CE2 4.06Å; C1009-F1140 HydrophobicContact CB-CZ 4.38Å; W1018-F1140 HydrophobicContact CD2-CB 4.03Å; W1018-F1140 AromaticContact CD2-CD2 3.76Å; W1018-F1140 HydrophobicContact CD2-CD2 3.76Å; W1018-F1140 HydrophobicContact CD2-CG 4.25Å; W1018-F1140 HydrophobicContact CE3-CB 4.32Å; W1018-F1140 AromaticContact CE3-CD2 3.36Å; W1018-F1140 HydrophobicContact CE3-CD2 3.36Å; W1018-F1140 AromaticContact CE3-CE2 3.9Å; W1018-F1140 HydrophobicContact CE3-CE2 3.9Å; W1018-F1140 HydrophobicContact CE3-CG 4.06Å; W1018-F1140 HydrophobicContact CH2-CB 3.75Å; W1018-F1140 HydrophobicContact CH2-CD1 4.29Å; W1018-F1140 AromaticContact CH2-CD2 3.87Å; W1018-F1140 HydrophobicContact CH2-CD2 3.87Å; W1018-F1140 AromaticContact CH2-CG 3.72Å; W1018-F1140 HydrophobicContact CH2-CG 3.72Å; W1018-F1140 HydrophobicContact CZ2-CB 3.46Å; W1018-F1140 VanDerWaalsContact CZ2-CB 3.46Å; W1018-F1140 HydrophobicContact CZ2-CD2 4.27Å; W1018-F1140 AromaticContact CZ2-CG 3.98Å; W1018-F1140 HydrophobicContact CZ2-CG 3.98Å; W1018-F1140 HydrophobicContact CZ3-CB 4.18Å; W1018-F1140 HydrophobicContact CZ3-CD1 4.45Å; W1018-F1140 AromaticContact CZ3-CD2 3.41Å; W1018-F1140 HydrophobicContact CZ3-CD2 3.41Å; W1018-F1140 VanDerWaalsContact CZ3-CD2 3.41Å; W1018-F1140 AromaticContact CZ3-CE2 3.82Å; W1018-F1140 HydrophobicContact CZ3-CE2 3.82Å; W1018-F1140 AromaticContact CZ3-CG 3.78Å; W1018-F1140 HydrophobicContact CZ3-CG 3.78Å; W1018-F1140 HydrophobicContact CZ3-CZ 4.49Å; I1020-F1140 HydrophobicContact CD1-CD2 4.11Å; I1020-F1140 HydrophobicContact CD1-CE2 3.62Å; F1026-F1140 HydrophobicContact CZ-CD2 4.08Å; G1136-F1140 PolarHBondContact O-N 3.49Å; I1137-F1140 WeakPolarHBondContact O-CB 3.35Å; I1137-F1140 PolarHBondContact O-N 2.8Å; R1138-F1140 VanDerWaalsContact C-N 3.34Å; F1140-Q1142 VanDerWaalsContact C-N 3.29Å; F1140-Q1142 PolarHBondContact O-N 3.17Å; F1140-E1143 PolarHBondContact O-N 3.25Å; F1140-M1144 HydrophobicContact CD2-CG 3.76Å; F1140-M1144 HydrophobicContact CE2-CG 3.55Å; F1140-M1144 HydrophobicContact CE2-SD 4.47Å; F1140-M1144 HydrophobicContact CG-CG 4.41Å; F1140-M1144 HydrophobicContact CZ-CG 4.03Å; F1140-M1144 VanDerWaalsContact O-CB 3.24Å; F1140-M1144 WeakPolarHBondContact O-CB 3.43Å; F1140-M1144 WeakPolarHBondContact O-CG 3.31Å; F1140-M1144 PolarHBondContact O-N 3.01Å; F1140-L1146 HydrophobicContact CD1-CD1 3.84Å; F1140-L1146 HydrophobicContact CE1-CD1 3.27Å; F1140-L1146 HydrophobicContact CZ-CD1 3.82Å
1141	A	93.9	Very high	92.4	Very high	10 Å²	10	44.1 Å²	44.1	8%	0.083	24%	0.241	C	C	.	.	H	α-helix	trans	-62	-36.9	179.6	0	0	0	0	0	112.5	I1137 R1138 N1145 L1146 L1148	I1137-A1141 WeakPolarHBondContact O-CB 3.46Å; I1137-A1141 PolarHBondContact O-N 3.18Å; R1138-A1141 PolarHBondContact O-N 3.23Å; A1141-N1145 CarbonylContact O-C 3.51Å; A1141-N1145 VanDerWaalsContact O-CA 3.31Å; A1141-N1145 WeakPolarHBondContact O-CA 3.32Å; A1141-N1145 PolarHBondContact O-N 3.41Å; A1141-L1146 HydrophobicContact CB-CB 4.35Å; A1141-L1146 PolarHBondContact O-N 3.17Å; A1141-L1148 HydrophobicContact CB-CD1 3.5Å; A1141-L1148 HydrophobicContact CB-CD2 4.33Å; A1141-L1148 HydrophobicContact CB-CG 3.83Å
1142	Q	92.9	Very high	92.9	Very high	134 Å²	134	44.5 Å²	44.5	63%	0.626	25%	0.245	S	C	*	.	H	α-helix	trans	-67	-49.5	175.8	-72.6	173	0.7	0	0	112.2	R1138 L1139 F1140 M1144 N1145	R1138-Q1142 VanDerWaalsContact O-CG 3.26Å; R1138-Q1142 WeakPolarHBondContact O-CG 3.36Å; R1138-Q1142 PolarHBondContact O-N 3.46Å; L1139-Q1142 PolarHBondContact O-N 2.88Å; F1140-Q1142 VanDerWaalsContact C-N 3.29Å; F1140-Q1142 PolarHBondContact O-N 3.17Å; Q1142-M1144 VanDerWaalsContact C-N 3.32Å; Q1142-M1144 PolarHBondContact O-N 2.87Å; Q1142-N1145 PolarHBondContact O-N 2.88Å
1143	E	91.9	Very high	93.2	Very high	73 Å²	73	42.4 Å²	42.4	34%	0.341	23%	0.232	S	C	.	.	H	α-helix	trans	-73.8	-22.7	-176.9	-70.9	-74.7	173.1	0	0	113.2	K1024 F1026 K1029 L1139 F1140	K1024-E1143 PolarHBondContact NZ-O 2.8Å; F1026-E1143 HydrophobicContact CD1-CB 4.25Å; F1026-E1143 HydrophobicContact CD2-CB 3.88Å; F1026-E1143 HydrophobicContact CD2-CG 3.66Å; F1026-E1143 HydrophobicContact CE1-CB 3.99Å; F1026-E1143 HydrophobicContact CE2-CB 3.59Å; F1026-E1143 HydrophobicContact CE2-CG 3.72Å; F1026-E1143 HydrophobicContact CG-CB 4.19Å; F1026-E1143 HydrophobicContact CG-CG 4.2Å; F1026-E1143 HydrophobicContact CZ-CB 3.64Å; F1026-E1143 HydrophobicContact CZ-CG 4.31Å; K1029-E1143 IonicContact NZ-OE1 3.8Å; L1139-E1143 HydrophobicContact CD1-CG 4.16Å; L1139-E1143 WeakPolarHBondContact O-CG 3.28Å; L1139-E1143 PolarHBondContact O-N 2.98Å; F1140-E1143 PolarHBondContact O-N 3.25Å
1144	M	91.1	Very high	93.4	Very high	36 Å²	36	42 Å²	42	18%	0.177	23%	0.23	C	C	.	.	H	α-helix	trans	-97.8	-4	174.4	-62.8	-64.6	-72.4	0	0	113.3	I1020 K1024 F1026 F1140 Q1142 L1146	I1020-M1144 HydrophobicContact CD1-SD 4.21Å; I1020-M1144 HydrophobicContact CG1-CE 4.5Å; I1020-M1144 HydrophobicContact CG1-SD 4.02Å; I1020-M1144 HydrophobicContact CG2-CE 4.1Å; K1024-M1144 HydrophobicContact CD-SD 3.82Å; K1024-M1144 WeakPolarHBondContact CE-SD 3.02Å; K1024-M1144 PolarHBondContact NZ-SD 2.84Å; F1026-M1144 HydrophobicContact CE1-SD 4.38Å; F1140-M1144 HydrophobicContact CD2-CG 3.76Å; F1140-M1144 HydrophobicContact CE2-CG 3.55Å; F1140-M1144 HydrophobicContact CE2-SD 4.47Å; F1140-M1144 HydrophobicContact CG-CG 4.41Å; F1140-M1144 HydrophobicContact CZ-CG 4.03Å; F1140-M1144 VanDerWaalsContact O-CB 3.24Å; F1140-M1144 WeakPolarHBondContact O-CB 3.43Å; F1140-M1144 WeakPolarHBondContact O-CG 3.31Å; F1140-M1144 PolarHBondContact O-N 3.01Å; Q1142-M1144 VanDerWaalsContact C-N 3.32Å; Q1142-M1144 PolarHBondContact O-N 2.87Å; M1144-L1146 HydrophobicContact CB-CD1 3.66Å; M1144-L1146 HydrophobicContact CB-CD2 4.14Å; M1144-L1146 HydrophobicContact CB-CG 3.56Å; M1144-L1146 HydrophobicContact CG-CD1 4.43Å; M1144-L1146 PolarHBondContact O-N 3.19Å
1145	N	91	Very high	93.5	Very high	151 Å²	151	42 Å²	42	81%	0.807	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	50.2	-176.5	-168.5	52.3	0	0	0	113.1	A1141 Q1142	A1141-N1145 CarbonylContact O-C 3.51Å; A1141-N1145 VanDerWaalsContact O-CA 3.31Å; A1141-N1145 WeakPolarHBondContact O-CA 3.32Å; A1141-N1145 PolarHBondContact O-N 3.41Å; Q1142-N1145 PolarHBondContact O-N 2.88Å
1146	L	91.9	Very high	93.8	Very high	26 Å²	26	40 Å²	40	14%	0.136	22%	0.219	C	C	.	.			trans	-97.5	139	-176.3	-57.6	174.4	0	0	0	111.1	Y944 Y983 F1140 A1141 M1144	Y944-L1146 HydrophobicContact CD1-CD1 4.48Å; Y944-L1146 HydrophobicContact CE1-CB 4.04Å; Y944-L1146 HydrophobicContact CE1-CD1 3.89Å; Y944-L1146 HydrophobicContact CE1-CD2 4.18Å; Y944-L1146 HydrophobicContact CE1-CG 4.24Å; Y983-L1146 HydrophobicContact CD2-CD2 4.3Å; Y983-L1146 HydrophobicContact CE1-CD2 4.44Å; Y983-L1146 HydrophobicContact CE2-CD2 3.82Å; F1140-L1146 HydrophobicContact CD1-CD1 3.84Å; F1140-L1146 HydrophobicContact CE1-CD1 3.27Å; F1140-L1146 HydrophobicContact CZ-CD1 3.82Å; A1141-L1146 HydrophobicContact CB-CB 4.35Å; A1141-L1146 PolarHBondContact O-N 3.17Å; M1144-L1146 HydrophobicContact CB-CD1 3.66Å; M1144-L1146 HydrophobicContact CB-CD2 4.14Å; M1144-L1146 HydrophobicContact CB-CG 3.56Å; M1144-L1146 HydrophobicContact CG-CD1 4.43Å; M1144-L1146 PolarHBondContact O-N 3.19Å
1147	D	92.2	Very high	93.8	Very high	99 Å²	99	40 Å²	40	53%	0.529	22%	0.219	S	C	.	.			trans	-96.3	92.6	172.2	-178.2	10.7	0	0	0	110.5	Y944 A1149 C1150	Y944-D1147 WeakPolarHBondContact CE2-O 3.38Å; Y944-D1147 PolarHBondContact OH-N 3.05Å; Y944-D1147 PolarHBondContact OH-O 3.18Å; D1147-A1149 PolarHBondContact O-N 3.04Å; D1147-A1149 VanDerWaalsContact O-N 3.16Å; D1147-A1149 WeakPolarHBondContact OD1-CB 2.99Å; D1147-A1149 PolarHBondContact OD1-N 3.19Å; D1147-A1149 VanDerWaalsContact OD1-N 3.11Å; D1147-C1150 HydrophobicContact CB-CB 4.4Å; D1147-C1150 WeakPolarHBondContact O-CB 3.37Å; D1147-C1150 PolarHBondContact O-N 2.89Å
1148	L	93.3	Very high	93.6	Very high	10 Å²	10	41.3 Å²	41.3	5%	0.052	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-11.2	-179.5	-61.4	173.3	0	0	0	113.8	Y944 F946 I1137 A1141 C1150 M1169 I1172 N1173	Y944-L1148 HydrophobicContact CD1-CD2 4.19Å; Y944-L1148 HydrophobicContact CD2-CD2 3.96Å; Y944-L1148 HydrophobicContact CE1-CD2 4.3Å; Y944-L1148 HydrophobicContact CE2-CD2 4.05Å; Y944-L1148 HydrophobicContact CG-CD2 4.04Å; F946-L1148 HydrophobicContact CE2-CD2 4.03Å; F946-L1148 HydrophobicContact CZ-CD2 4.01Å; I1137-L1148 HydrophobicContact CG2-CD1 3.96Å; A1141-L1148 HydrophobicContact CB-CD1 3.5Å; A1141-L1148 HydrophobicContact CB-CD2 4.33Å; A1141-L1148 HydrophobicContact CB-CG 3.83Å; L1148-C1150 VanDerWaalsContact C-N 3.27Å; L1148-M1169 HydrophobicContact CD1-CE 3.78Å; L1148-M1169 HydrophobicContact CD1-SD 4.47Å; L1148-M1169 HydrophobicContact CD2-SD 4.5Å; L1148-I1172 HydrophobicContact CB-CD1 4.3Å; L1148-I1172 HydrophobicContact CB-CG2 4.06Å; L1148-I1172 HydrophobicContact CD1-CD1 4.02Å; L1148-N1173 PolarHBondContact O-ND2 3.35Å
1149	A	92.4	Very high	93.3	Very high	51 Å²	51	37.9 Å²	37.9	42%	0.421	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-13.4	172.9	0	0	0	0	0	112.6	D1147 I1172 N1173	D1147-A1149 PolarHBondContact O-N 3.04Å; D1147-A1149 VanDerWaalsContact O-N 3.16Å; D1147-A1149 WeakPolarHBondContact OD1-CB 2.99Å; D1147-A1149 PolarHBondContact OD1-N 3.19Å; D1147-A1149 VanDerWaalsContact OD1-N 3.11Å; A1149-I1172 HydrophobicContact CB-CG2 4.01Å; A1149-N1173 PolarHBondContact O-ND2 3.08Å
1150	C	88.8	Confident	93.1	Very high	67 Å²	67	41.1 Å²	41.1	45%	0.453	23%	0.234	S	C	.	.	S	Bend	trans	-96.2	133.4	-176.8	-168.6	0	0	0	0	112.3	D1147 L1148	D1147-C1150 HydrophobicContact CB-CB 4.4Å; D1147-C1150 WeakPolarHBondContact O-CB 3.37Å; D1147-C1150 PolarHBondContact O-N 2.89Å; L1148-C1150 VanDerWaalsContact C-N 3.27Å
1151	G	91	Very high	92.7	Very high	30 Å²	30	44 Å²	44	31%	0.309	25%	0.252	S	S	.	.	S	Bend	trans	77.1	-176.5	174.4	0	0	0	0	0	114.6	N1173 N1176	G1151-N1173 PolarHBondContact O-ND2 3.06Å; G1151-N1176 WeakPolarHBondContact O-CB 3.29Å
1152	N	96.3	Very high	92.7	Very high	33 Å²	33	43.5 Å²	43.5	18%	0.176	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	141.9	178.5	-61.4	-40.6	0	0	0	110.8	G939 H941 F942 Q943 Y944 N1176 Y1178	G939-N1152 PolarHBondContact O-ND2 3.34Å; H941-N1152 WeakPolarHBondContact O-CB 3.42Å; H941-N1152 PolarHBondContact O-ND2 3.19Å; F942-N1152 CarbonylContact C-O 3.58Å; F942-N1152 WeakPolarHBondContact CA-O 3.24Å; F942-N1152 HydrophobicContact CD1-CB 3.89Å; F942-N1152 HydrophobicContact CE1-CB 4.37Å; Q943-N1152 PolarHBondContact N-O 3.36Å; Y944-N1152 PolarHBondContact N-O 3.19Å; N1152-N1176 WeakPolarHBondContact CA-O 3.2Å; N1152-N1176 WeakPolarHBondContact OD1-CB 3.5Å; N1152-Y1178 HydrophobicContact CB-CD2 4.33Å; N1152-Y1178 HydrophobicContact CB-CE2 4.02Å
1153	V	96.7	Very high	92.8	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	133.9	178.4	-175.2	0	0	0	0	109.4	Y944 F946 V1155 M1169 N1176 Y1178	Y944-V1153 HydrophobicContact CD2-CG2 4.08Å; Y944-V1153 CarbonylContact O-C 3.48Å; Y944-V1153 VanDerWaalsContact O-CA 3.28Å; Y944-V1153 WeakPolarHBondContact O-CA 3.44Å; F946-V1153 HydrophobicContact CD2-CG1 4.09Å; F946-V1153 HydrophobicContact CE2-CG1 4.4Å; V1153-V1155 HydrophobicContact CG1-CG2 4.05Å; V1153-M1169 HydrophobicContact CG1-CB 4.41Å; V1153-M1169 HydrophobicContact CG1-CG 3.87Å; V1153-M1169 HydrophobicContact CG1-SD 3.92Å; V1153-N1176 PolarHBondContact N-O 2.94Å; V1153-Y1178 PolarHBondContact O-N 2.94Å
1154	L	97.9	Very high	92.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	128.5	169.1	-178.5	60.8	0	0	0	109.5	F942 Y944 F945 F946 F976 Y1178 I1180	F942-L1154 HydrophobicContact CB-CB 4.48Å; F942-L1154 HydrophobicContact CD1-CB 3.64Å; F942-L1154 HydrophobicContact CD2-CB 4.14Å; F942-L1154 HydrophobicContact CD2-CD2 4.22Å; F942-L1154 HydrophobicContact CE1-CB 3.78Å; F942-L1154 HydrophobicContact CE1-CD1 4.47Å; F942-L1154 HydrophobicContact CE2-CB 4.27Å; F942-L1154 HydrophobicContact CE2-CD2 3.97Å; F942-L1154 HydrophobicContact CG-CB 3.82Å; F942-L1154 HydrophobicContact CZ-CB 4.09Å; F942-L1154 HydrophobicContact CZ-CD1 4.31Å; F942-L1154 HydrophobicContact CZ-CD2 4.24Å; F942-L1154 HydrophobicContact CZ-CG 4.45Å; Y944-L1154 PolarHBondContact O-N 3.23Å; F945-L1154 CarbonylContact C-O 3.58Å; F945-L1154 WeakPolarHBondContact CA-O 3.3Å; F945-L1154 HydrophobicContact CD2-CB 3.78Å; F945-L1154 HydrophobicContact CD2-CD2 3.7Å; F945-L1154 HydrophobicContact CD2-CG 3.69Å; F945-L1154 HydrophobicContact CE2-CB 4.48Å; F945-L1154 HydrophobicContact CE2-CD2 3.73Å; F945-L1154 HydrophobicContact CE2-CG 3.89Å; F945-L1154 HydrophobicContact CG-CD2 4.45Å; F945-L1154 HydrophobicContact CZ-CD2 4.48Å; F946-L1154 PolarHBondContact N-O 3.43Å; F976-L1154 HydrophobicContact CE1-CD2 4.09Å; F976-L1154 HydrophobicContact CZ-CD2 3.85Å; L1154-Y1178 CarbonylContact C-O 3.54Å; L1154-Y1178 WeakPolarHBondContact CA-O 3.34Å; L1154-I1180 HydrophobicContact CD1-CD1 4.31Å; L1154-I1180 HydrophobicContact CD1-CG1 4.3Å
1155	V	97.9	Very high	93.2	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.006	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	124.5	175.1	-175.6	0	0	0	0	110.2	F946 V1153 M1165 L1166 M1169 T1177 Y1178 T1179 I1180	F946-V1155 CarbonylContact O-C 3.54Å; F946-V1155 WeakPolarHBondContact O-CA 3.31Å; V1153-V1155 HydrophobicContact CG1-CG2 4.05Å; V1155-M1165 HydrophobicContact CG1-CB 3.96Å; V1155-L1166 HydrophobicContact CG1-CB 4.27Å; V1155-M1169 HydrophobicContact CG2-CB 4.07Å; V1155-M1169 HydrophobicContact CG2-CG 3.64Å; V1155-T1177 HydrophobicContact CG2-CG2 4.35Å; V1155-Y1178 PolarHBondContact N-O 3.46Å; V1155-T1179 CarbonylContact O-C 3.54Å; V1155-T1179 WeakPolarHBondContact O-CA 3.38Å; V1155-T1179 WeakPolarHBondContact O-CB 3.4Å; V1155-T1179 PolarHBondContact O-OG1 2.86Å; V1155-I1180 PolarHBondContact O-N 3.4Å; V1155-I1180 VanDerWaalsContact O-N 3.09Å
1156	C	97.8	Very high	93.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	146.6	176.4	-59.7	0	0	0	0	112.5	F945 F946 T947 D948 T952 I1180 L1222	F945-C1156 HydrophobicContact CE2-CB 4.38Å; F946-C1156 PolarHBondContact O-N 2.84Å; T947-C1156 WeakPolarHBondContact CA-O 3.45Å; T947-C1156 WeakPolarHBondContact OG1-CB 3.4Å; D948-C1156 PolarHBondContact N-O 3.13Å; T952-C1156 HydrophobicContact CG2-CB 3.77Å; C1156-I1180 VanDerWaalsContact CA-O 3.23Å; C1156-I1180 WeakPolarHBondContact CA-O 3.48Å; C1156-L1222 HydrophobicContact CB-CD2 4.29Å
1157	G	94.5	Very high	93.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	169.7	179.2	0	0	0	0	0	113	T952 I1180 W1181 V1182	T952-G1157 VanDerWaalsContact OG1-CA 3.29Å; T952-G1157 WeakPolarHBondContact OG1-CA 3.19Å; G1157-I1180 PolarHBondContact N-O 3.48Å; G1157-W1181 VanDerWaalsContact C-CE3 3.48Å; G1157-W1181 CarbonylContact O-C 3.56Å; G1157-W1181 VanDerWaalsContact O-CA 3.26Å; G1157-W1181 WeakPolarHBondContact O-CA 3.47Å; G1157-W1181 VanDerWaalsContact O-CE3 3.28Å; G1157-V1182 PolarHBondContact O-N 2.87Å
1158	D	91.8	Very high	93.9	Very high	27 Å²	27	29 Å²	29	14%	0.144	17%	0.169	C	C	.	.	S	Bend	trans	-129	-9	-178.6	66.6	-66.3	0	0	0	113.4	G951 T952 Y956 D1162 V1182 L1197	G951-D1158 WeakPolarHBondContact O-CB 3.41Å; T952-D1158 PolarHBondContact OG1-N 3Å; T952-D1158 PolarHBondContact OG1-OD1 3.49Å; Y956-D1158 PolarHBondContact OH-OD2 3.24Å; D1158-D1162 PolarHBondContact N-OD2 3.08Å; D1158-V1182 WeakPolarHBondContact CA-O 3.48Å; D1158-V1182 HydrophobicContact CB-CB 3.98Å; D1158-L1197 WeakPolarHBondContact O-CD2 3.24Å
1159	S	88.1	Confident	94.1	Very high	26 Å²	26	28.6 Å²	28.6	18%	0.182	17%	0.166	C	C	.	.	S	Bend	trans	-135.9	161.7	-173.6	77	0	0	0	0	113.7	T1161 D1162 W1181	S1159-T1161 PolarHBondContact O-N 3.11Å; S1159-T1161 VanDerWaalsContact O-N 3.11Å; S1159-T1161 PolarHBondContact OG-N 3.15Å; S1159-T1161 PolarHBondContact OG-OG1 3.32Å; S1159-D1162 PolarHBondContact N-OD2 3.06Å; S1159-D1162 WeakPolarHBondContact O-CB 3.43Å; S1159-D1162 PolarHBondContact O-N 2.87Å; S1159-D1162 PolarHBondContact OG-OD2 3.49Å; S1159-W1181 VanDerWaalsContact O-CZ3 3.22Å; S1159-W1181 WeakPolarHBondContact O-CZ3 3.15Å
1160	D	89.2	Confident	94.3	Very high	88 Å²	88	26.1 Å²	26.1	47%	0.471	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-60.5	-22	174.1	63.9	-24.2	0	0	0	113	D1162 L1163	D1160-D1162 PolarHBondContact O-N 2.96Å; D1160-L1163 HydrophobicContact CB-CD1 3.99Å; D1160-L1163 WeakPolarHBondContact O-CB 3.34Å; D1160-L1163 PolarHBondContact O-N 3.08Å
1161	T	85.7	Confident	94.7	Very high	61 Å²	61	25.9 Å²	25.9	37%	0.374	15%	0.145	S	C	.	.	G	3₁₀ helix	trans	-66.8	-16.4	174.4	78.4	0	0	0	0	113.7	S1159 P1164	S1159-T1161 PolarHBondContact O-N 3.11Å; S1159-T1161 VanDerWaalsContact O-N 3.11Å; S1159-T1161 PolarHBondContact OG-N 3.15Å; S1159-T1161 PolarHBondContact OG-OG1 3.32Å; T1161-P1164 WeakPolarHBondContact O-CD 3.29Å
1162	D	93.4	Very high	94.9	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-92.6	-17	177.8	-56	-57.2	0	0	0	112.9	K1133 D1158 S1159 D1160 P1164 M1165 W1181	K1133-D1162 WeakPolarHBondContact CE-OD1 3.27Å; K1133-D1162 IonicContact NZ-OD1 3.32Å; K1133-D1162 PolarHBondContact NZ-OD1 3.16Å; D1158-D1162 PolarHBondContact N-OD2 3.08Å; S1159-D1162 PolarHBondContact N-OD2 3.06Å; S1159-D1162 WeakPolarHBondContact O-CB 3.43Å; S1159-D1162 PolarHBondContact O-N 2.87Å; S1159-D1162 PolarHBondContact OG-OD2 3.49Å; D1160-D1162 PolarHBondContact O-N 2.96Å; D1162-P1164 VanDerWaalsContact C-N 3.26Å; D1162-P1164 VanDerWaalsContact O-N 3.17Å; D1162-M1165 HydrophobicContact CB-CE 3.67Å; D1162-M1165 WeakPolarHBondContact O-CB 3.33Å; D1162-M1165 PolarHBondContact O-N 3.44Å; D1162-M1165 WeakPolarHBondContact OD1-CE 3.12Å; D1162-W1181 HydrophobicContact CB-CH2 3.63Å; D1162-W1181 HydrophobicContact CB-CZ3 3.87Å
1163	L	95.3	Very high	94.8	Very high	19 Å²	19	26.4 Å²	26.4	10%	0.099	14%	0.141	C	C	.	.	H	α-helix	trans	-54.6	-33.9	179.7	-69.7	171.3	0	0	0	113.6	D1160 M1165 L1166 R1167 W1181 Q1200 V1201 L1204	D1160-L1163 HydrophobicContact CB-CD1 3.99Å; D1160-L1163 WeakPolarHBondContact O-CB 3.34Å; D1160-L1163 PolarHBondContact O-N 3.08Å; L1163-M1165 VanDerWaalsContact C-N 3.27Å; L1163-M1165 PolarHBondContact O-N 3.32Å; L1163-L1166 PolarHBondContact O-N 2.85Å; L1163-R1167 WeakPolarHBondContact O-CB 3.4Å; L1163-R1167 PolarHBondContact O-N 2.94Å; L1163-W1181 HydrophobicContact CD2-CH2 3.7Å; L1163-W1181 HydrophobicContact CD2-CZ2 3.89Å; L1163-W1181 HydrophobicContact CD2-CZ3 4.44Å; L1163-W1181 HydrophobicContact CG-CH2 4.01Å; L1163-Q1200 HydrophobicContact CD1-CB 3.95Å; L1163-V1201 HydrophobicContact CD2-CG2 3.67Å; L1163-L1204 HydrophobicContact CD2-CD2 4.19Å
1164	P	95.2	Very high	94.7	Very high	33 Å²	33	28.4 Å²	28.4	21%	0.214	15%	0.154	C	C	.	.	H	α-helix	trans	-58.6	-32.7	172.4	-27.1	37.4	0	0	0	114.4	T1132 T1161 D1162 E1168	T1132-P1164 HydrophobicContact CG2-CB 4.33Å; T1132-P1164 HydrophobicContact CG2-CG 4.19Å; T1161-P1164 WeakPolarHBondContact O-CD 3.29Å; D1162-P1164 VanDerWaalsContact C-N 3.26Å; D1162-P1164 VanDerWaalsContact O-N 3.17Å; P1164-E1168 WeakPolarHBondContact O-CB 3.46Å; P1164-E1168 PolarHBondContact O-N 2.72Å
1165	M	96.6	Very high	94.5	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.6	-48.3	175	-62.6	-167.5	-73.2	0	0	110.7	D948 L987 K1133 I1137 V1155 D1162 L1163 E1168 M1169	D948-M1165 HydrophobicContact CB-CE 4.46Å; L987-M1165 HydrophobicContact CB-SD 3.91Å; L987-M1165 HydrophobicContact CD1-SD 4.27Å; L987-M1165 HydrophobicContact CD2-SD 4.12Å; L987-M1165 HydrophobicContact CG-SD 4.34Å; K1133-M1165 HydrophobicContact CB-CG 3.39Å; K1133-M1165 HydrophobicContact CB-SD 4.01Å; K1133-M1165 HydrophobicContact CD-CE 3.97Å; K1133-M1165 HydrophobicContact CD-CG 4.19Å; K1133-M1165 HydrophobicContact CD-SD 3.91Å; K1133-M1165 HydrophobicContact CG-CG 4.43Å; I1137-M1165 HydrophobicContact CD1-CB 3.72Å; I1137-M1165 HydrophobicContact CD1-CG 3.81Å; I1137-M1165 HydrophobicContact CD1-SD 4.31Å; V1155-M1165 HydrophobicContact CG1-CB 3.96Å; D1162-M1165 HydrophobicContact CB-CE 3.67Å; D1162-M1165 WeakPolarHBondContact O-CB 3.33Å; D1162-M1165 PolarHBondContact O-N 3.44Å; D1162-M1165 WeakPolarHBondContact OD1-CE 3.12Å; L1163-M1165 VanDerWaalsContact C-N 3.27Å; L1163-M1165 PolarHBondContact O-N 3.32Å; M1165-E1168 PolarHBondContact O-N 2.9Å; M1165-M1169 PolarHBondContact O-N 3.4Å; M1165-M1169 VanDerWaalsContact O-N 3.17Å
1166	L	97.5	Very high	94.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64	-43.2	178.6	177.7	59.2	0	0	0	111.5	V1155 L1163 E1168 M1169 L1170 T1177 T1179 W1181 V1201 L1204	V1155-L1166 HydrophobicContact CG1-CB 4.27Å; L1163-L1166 PolarHBondContact O-N 2.85Å; L1166-E1168 VanDerWaalsContact C-N 3.34Å; L1166-E1168 PolarHBondContact O-N 3.39Å; L1166-M1169 PolarHBondContact O-N 3.47Å; L1166-L1170 HydrophobicContact CD1-CD1 3.8Å; L1166-L1170 HydrophobicContact CD1-CD2 4.49Å; L1166-L1170 HydrophobicContact CD1-CG 3.86Å; L1166-L1170 HydrophobicContact CD2-CD1 4.4Å; L1166-L1170 HydrophobicContact CG-CD1 3.73Å; L1166-L1170 HydrophobicContact CG-CG 4.24Å; L1166-L1170 WeakPolarHBondContact O-CB 3.38Å; L1166-L1170 VanDerWaalsContact O-CG 3.3Å; L1166-L1170 WeakPolarHBondContact O-CG 3.32Å; L1166-L1170 PolarHBondContact O-N 3.4Å; L1166-T1177 HydrophobicContact CD1-CG2 3.94Å; L1166-T1179 HydrophobicContact CD1-CG2 3.97Å; L1166-T1179 HydrophobicContact CD2-CG2 4.17Å; L1166-W1181 HydrophobicContact CB-CZ2 4.14Å; L1166-W1181 HydrophobicContact CD2-CZ2 3.88Å; L1166-V1201 HydrophobicContact CD2-CG1 4.11Å; L1166-L1204 HydrophobicContact CB-CD2 4.33Å; L1166-L1204 HydrophobicContact CD2-CD2 4.03Å; L1166-L1204 HydrophobicContact CG-CD2 4.05Å
1167	R	97.1	Very high	94.4	Very high	136 Å²	136	38.7 Å²	38.7	51%	0.513	20%	0.203	S	C	.	.	H	α-helix	trans	-60.5	-42.5	177.8	-173.8	-180	-62.7	-107.8	-0.4	112	L1163 S1171 L1204	L1163-R1167 WeakPolarHBondContact O-CB 3.4Å; L1163-R1167 PolarHBondContact O-N 2.94Å; R1167-S1171 WeakPolarHBondContact O-CB 3.41Å; R1167-S1171 PolarHBondContact O-N 3.21Å; R1167-S1171 PolarHBondContact O-OG 2.81Å; R1167-L1204 HydrophobicContact CB-CD1 4.36Å; R1167-L1204 HydrophobicContact CB-CD2 4.13Å; R1167-L1204 HydrophobicContact CG-CD1 4.28Å
1168	E	96	Very high	94.6	Very high	26 Å²	26	39.7 Å²	39.7	12%	0.121	21%	0.207	C	C	.	.	H	α-helix	trans	-62.2	-49	177.8	-169.8	70.5	-176.5	0	0	110.2	R1138 P1164 M1165 L1166 S1171 I1172	R1138-E1168 IonicContact CZ-OE1 3.75Å; R1138-E1168 IonicContact CZ-OE2 3.07Å; R1138-E1168 IonicContact NE-OE1 3.69Å; R1138-E1168 PolarHBondContact NE-OE1 2.99Å; R1138-E1168 IonicContact NH2-OE1 3.92Å; R1138-E1168 PolarHBondContact NH2-OE1 3.29Å; R1138-E1168 IonicContact NH2-OE2 2.93Å; R1138-E1168 PolarHBondContact NH2-OE2 3.26Å; P1164-E1168 WeakPolarHBondContact O-CB 3.46Å; P1164-E1168 PolarHBondContact O-N 2.72Å; M1165-E1168 PolarHBondContact O-N 2.9Å; L1166-E1168 VanDerWaalsContact C-N 3.34Å; L1166-E1168 PolarHBondContact O-N 3.39Å; E1168-S1171 PolarHBondContact O-N 3.36Å; E1168-S1171 PolarHBondContact O-OG 3.02Å; E1168-I1172 HydrophobicContact CG-CD1 4.15Å; E1168-I1172 WeakPolarHBondContact O-CG1 3.48Å; E1168-I1172 PolarHBondContact O-N 3.1Å
1169	M	96.4	Very high	94.9	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-65.5	-41.7	-180	-63.6	-54.5	90	0	0	112.8	F946 I1137 L1148 V1153 V1155 M1165 L1166 S1171 I1172 N1173 T1177	F946-M1169 HydrophobicContact CD2-CG 4.36Å; F946-M1169 HydrophobicContact CD2-SD 3.97Å; F946-M1169 HydrophobicContact CE2-SD 3.76Å; I1137-M1169 HydrophobicContact CB-CE 4.47Å; I1137-M1169 HydrophobicContact CD1-CE 4.45Å; I1137-M1169 HydrophobicContact CG2-CE 3.52Å; I1137-M1169 HydrophobicContact CG2-SD 4.38Å; L1148-M1169 HydrophobicContact CD1-CE 3.78Å; L1148-M1169 HydrophobicContact CD1-SD 4.47Å; L1148-M1169 HydrophobicContact CD2-SD 4.5Å; V1153-M1169 HydrophobicContact CG1-CB 4.41Å; V1153-M1169 HydrophobicContact CG1-CG 3.87Å; V1153-M1169 HydrophobicContact CG1-SD 3.92Å; V1155-M1169 HydrophobicContact CG2-CB 4.07Å; V1155-M1169 HydrophobicContact CG2-CG 3.64Å; M1165-M1169 PolarHBondContact O-N 3.4Å; M1165-M1169 VanDerWaalsContact O-N 3.17Å; L1166-M1169 PolarHBondContact O-N 3.47Å; M1169-S1171 VanDerWaalsContact C-N 3.27Å; M1169-S1171 PolarHBondContact O-N 2.98Å; M1169-I1172 HydrophobicContact CE-CD1 4.21Å; M1169-I1172 PolarHBondContact O-N 3.08Å; M1169-N1173 CarbonylContact O-C 3.56Å; M1169-N1173 PolarHBondContact O-N 3.48Å; M1169-T1177 HydrophobicContact CB-CG2 3.94Å; M1169-T1177 PolarHBondContact O-OG1 2.87Å
1170	L	97.3	Very high	95.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-64.1	-31.8	175.7	-72.7	172.3	0	0	0	112.7	L1166 I1172 P1174 T1177 L1204 Y1208 N1210	L1166-L1170 HydrophobicContact CD1-CD1 3.8Å; L1166-L1170 HydrophobicContact CD1-CD2 4.49Å; L1166-L1170 HydrophobicContact CD1-CG 3.86Å; L1166-L1170 HydrophobicContact CD2-CD1 4.4Å; L1166-L1170 HydrophobicContact CG-CD1 3.73Å; L1166-L1170 HydrophobicContact CG-CG 4.24Å; L1166-L1170 WeakPolarHBondContact O-CB 3.38Å; L1166-L1170 VanDerWaalsContact O-CG 3.3Å; L1166-L1170 WeakPolarHBondContact O-CG 3.32Å; L1166-L1170 PolarHBondContact O-N 3.4Å; L1170-I1172 VanDerWaalsContact C-N 3.3Å; L1170-I1172 PolarHBondContact O-N 2.77Å; L1170-P1174 WeakPolarHBondContact O-CB 3.35Å; L1170-P1174 WeakPolarHBondContact O-CD 3.44Å; L1170-T1177 HydrophobicContact CD2-CG2 4.1Å; L1170-T1177 HydrophobicContact CG-CG2 4.36Å; L1170-L1204 HydrophobicContact CD1-CG 3.94Å; L1170-Y1208 HydrophobicContact CB-CD1 4.15Å; L1170-Y1208 HydrophobicContact CB-CD2 3.9Å; L1170-Y1208 HydrophobicContact CB-CE2 4.35Å; L1170-Y1208 HydrophobicContact CB-CG 3.8Å; L1170-Y1208 HydrophobicContact CD1-CD2 4.13Å; L1170-Y1208 WeakPolarHBondContact O-CD1 3.19Å; L1170-N1210 HydrophobicContact CD2-CB 3.53Å
1171	S	96	Very high	95.6	Very high	62 Å²	62	33 Å²	33	43%	0.434	17%	0.169	S	C	.	.	H	α-helix	trans	-71.5	-25.8	177.7	77.4	0	0	0	0	113.6	R1167 E1168 M1169	R1167-S1171 WeakPolarHBondContact O-CB 3.41Å; R1167-S1171 PolarHBondContact O-N 3.21Å; R1167-S1171 PolarHBondContact O-OG 2.81Å; E1168-S1171 PolarHBondContact O-N 3.36Å; E1168-S1171 PolarHBondContact O-OG 3.02Å; M1169-S1171 VanDerWaalsContact C-N 3.27Å; M1169-S1171 PolarHBondContact O-N 2.98Å
1172	I	95.2	Very high	96	Very high	65 Å²	65	30.6 Å²	30.6	33%	0.333	16%	0.155	S	C	.	.	H	α-helix	trans	-98.2	-43	-177.5	-61.8	169.5	0	0	0	111	L1148 A1149 E1168 M1169 L1170	L1148-I1172 HydrophobicContact CB-CD1 4.3Å; L1148-I1172 HydrophobicContact CB-CG2 4.06Å; L1148-I1172 HydrophobicContact CD1-CD1 4.02Å; A1149-I1172 HydrophobicContact CB-CG2 4.01Å; E1168-I1172 HydrophobicContact CG-CD1 4.15Å; E1168-I1172 WeakPolarHBondContact O-CG1 3.48Å; E1168-I1172 PolarHBondContact O-N 3.1Å; M1169-I1172 HydrophobicContact CE-CD1 4.21Å; M1169-I1172 PolarHBondContact O-N 3.08Å; L1170-I1172 VanDerWaalsContact C-N 3.3Å; L1170-I1172 PolarHBondContact O-N 2.77Å
1173	N	95	Very high	95.7	Very high	9 Å²	9	30.7 Å²	30.7	5%	0.048	16%	0.156	C	C	.	.			trans	-142.7	64.6	-169.3	-166.6	-2.4	0	0	0	112	L1148 A1149 G1151 M1169 E1175 N1176 T1177	L1148-N1173 PolarHBondContact O-ND2 3.35Å; A1149-N1173 PolarHBondContact O-ND2 3.08Å; G1151-N1173 PolarHBondContact O-ND2 3.06Å; M1169-N1173 CarbonylContact O-C 3.56Å; M1169-N1173 PolarHBondContact O-N 3.48Å; N1173-E1175 PolarHBondContact O-N 2.81Å; N1173-N1176 PolarHBondContact O-N 3.26Å; N1173-N1176 VanDerWaalsContact OD1-CB 3.3Å; N1173-N1176 WeakPolarHBondContact OD1-CB 3.43Å; N1173-N1176 PolarHBondContact OD1-ND2 3.46Å; N1173-T1177 WeakPolarHBondContact O-CB 3Å; N1173-T1177 PolarHBondContact O-N 3.09Å; N1173-T1177 VanDerWaalsContact O-N 3.14Å; N1173-T1177 PolarHBondContact O-OG1 2.81Å
1174	P	94.8	Very high	94.6	Very high	42 Å²	42	31.8 Å²	31.8	27%	0.273	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-36.4	-170.2	23.2	-32.9	0	0	0	113.9	L1170 N1210	L1170-P1174 WeakPolarHBondContact O-CB 3.35Å; L1170-P1174 WeakPolarHBondContact O-CD 3.44Å; P1174-N1210 PolarHBondContact O-ND2 3.36Å
1175	E	93.8	Very high	92.7	Very high	158 Å²	158	31.3 Å²	31.3	74%	0.738	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-35.4	-176.6	-65.5	-173.8	170.1	0	0	112.9	N1173 N1212	N1173-E1175 PolarHBondContact O-N 2.81Å; E1175-N1212 PolarHBondContact O-ND2 3.32Å; E1175-N1212 VanDerWaalsContact O-ND2 3.1Å
1176	N	95.8	Very high	90.3	Very high	58 Å²	58	33.9 Å²	33.9	31%	0.31	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	10.4	-175.5	-49.8	-66.1	0	0	0	113.6	G1151 N1152 V1153 N1173 Y1178	G1151-N1176 WeakPolarHBondContact O-CB 3.29Å; N1152-N1176 WeakPolarHBondContact CA-O 3.2Å; N1152-N1176 WeakPolarHBondContact OD1-CB 3.5Å; V1153-N1176 PolarHBondContact N-O 2.94Å; N1173-N1176 PolarHBondContact O-N 3.26Å; N1173-N1176 VanDerWaalsContact OD1-CB 3.3Å; N1173-N1176 WeakPolarHBondContact OD1-CB 3.43Å; N1173-N1176 PolarHBondContact OD1-ND2 3.46Å; N1176-Y1178 VanDerWaalsContact O-CD2 3.28Å; N1176-Y1178 WeakPolarHBondContact O-CD2 3.35Å; N1176-Y1178 WeakPolarHBondContact O-CE2 3.48Å
1177	T	97.7	Very high	87.8	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	125.8	169.7	-63.7	0	0	0	0	109.7	V1155 L1166 M1169 L1170 N1173 N1210 N1212	V1155-T1177 HydrophobicContact CG2-CG2 4.35Å; L1166-T1177 HydrophobicContact CD1-CG2 3.94Å; M1169-T1177 HydrophobicContact CB-CG2 3.94Å; M1169-T1177 PolarHBondContact O-OG1 2.87Å; L1170-T1177 HydrophobicContact CD2-CG2 4.1Å; L1170-T1177 HydrophobicContact CG-CG2 4.36Å; N1173-T1177 WeakPolarHBondContact O-CB 3Å; N1173-T1177 PolarHBondContact O-N 3.09Å; N1173-T1177 VanDerWaalsContact O-N 3.14Å; N1173-T1177 PolarHBondContact O-OG1 2.81Å; T1177-N1210 PolarHBondContact O-ND2 2.85Å; T1177-N1212 WeakPolarHBondContact O-CB 3.47Å; T1177-N1212 PolarHBondContact O-ND2 3.02Å
1178	Y	98	Very high	85.2	Confident	21 Å²	21	36 Å²	36	8%	0.082	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	145	174.4	-62.5	-102.9	0	0	0	108.2	L935 R938 F942 N1152 V1153 L1154 V1155 N1176 N1212	L935-Y1178 HydrophobicContact CD1-CD1 3.94Å; L935-Y1178 HydrophobicContact CG-CD1 4.08Å; R938-Y1178 HydrophobicContact CB-CE1 3.94Å; R938-Y1178 PolarHBondContact O-OH 3.21Å; F942-Y1178 AromaticContact CE1-CD2 3.8Å; F942-Y1178 HydrophobicContact CE1-CD2 3.8Å; F942-Y1178 AromaticContact CE1-CG 3.92Å; F942-Y1178 HydrophobicContact CE1-CG 3.92Å; N1152-Y1178 HydrophobicContact CB-CD2 4.33Å; N1152-Y1178 HydrophobicContact CB-CE2 4.02Å; V1153-Y1178 PolarHBondContact O-N 2.94Å; L1154-Y1178 CarbonylContact C-O 3.54Å; L1154-Y1178 WeakPolarHBondContact CA-O 3.34Å; V1155-Y1178 PolarHBondContact N-O 3.46Å; N1176-Y1178 VanDerWaalsContact O-CD2 3.28Å; N1176-Y1178 WeakPolarHBondContact O-CD2 3.35Å; N1176-Y1178 WeakPolarHBondContact O-CE2 3.48Å; Y1178-N1212 CarbonylContact C-O 3.56Å; Y1178-N1212 WeakPolarHBondContact CA-O 3.46Å; Y1178-N1212 HydrophobicContact CD1-CB 3.65Å; Y1178-N1212 HydrophobicContact CE1-CB 4.06Å; Y1178-N1212 HydrophobicContact CG-CB 4.06Å
1179	T	97.8	Very high	82.5	Confident	0 Å²	0	36 Å²	36	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	138.2	-176.9	-166.7	0	0	0	0	114	L935 V1155 L1166 W1181 N1212 Y1213 V1214	L935-T1179 WeakPolarHBondContact CD2-O 3.33Å; V1155-T1179 CarbonylContact O-C 3.54Å; V1155-T1179 WeakPolarHBondContact O-CA 3.38Å; V1155-T1179 WeakPolarHBondContact O-CB 3.4Å; V1155-T1179 PolarHBondContact O-OG1 2.86Å; L1166-T1179 HydrophobicContact CD1-CG2 3.97Å; L1166-T1179 HydrophobicContact CD2-CG2 4.17Å; T1179-W1181 VanDerWaalsContact OG1-CD1 3.29Å; T1179-W1181 PolarHBondContact OG1-NE1 3.43Å; T1179-N1212 PolarHBondContact N-O 3.49Å; T1179-Y1213 VanDerWaalsContact O-CA 3.29Å; T1179-Y1213 WeakPolarHBondContact O-CA 3.41Å; T1179-V1214 PolarHBondContact O-N 2.93Å
1180	I	97.4	Very high	79.5	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	127.7	177.8	-56.6	171.5	0	0	0	108.7	A932 L935 M936 L1154 V1155 C1156 G1157 V1214 V1216 L1222	A932-I1180 HydrophobicContact CB-CD1 4.37Å; L935-I1180 HydrophobicContact CD2-CD1 4.14Å; L935-I1180 HydrophobicContact CD2-CG1 3.51Å; M936-I1180 HydrophobicContact CE-CD1 3.49Å; M936-I1180 VanDerWaalsContact CE-CD1 3.49Å; M936-I1180 HydrophobicContact CG-CD1 4.11Å; L1154-I1180 HydrophobicContact CD1-CD1 4.31Å; L1154-I1180 HydrophobicContact CD1-CG1 4.3Å; V1155-I1180 PolarHBondContact O-N 3.4Å; V1155-I1180 VanDerWaalsContact O-N 3.09Å; C1156-I1180 VanDerWaalsContact CA-O 3.23Å; C1156-I1180 WeakPolarHBondContact CA-O 3.48Å; G1157-I1180 PolarHBondContact N-O 3.48Å; I1180-V1214 WeakPolarHBondContact CA-O 3.42Å; I1180-V1216 HydrophobicContact CG2-CG1 3.83Å; I1180-V1216 HydrophobicContact CG2-CG2 4.08Å; I1180-L1222 HydrophobicContact CB-CD1 4.26Å; I1180-L1222 HydrophobicContact CD1-CD1 3.97Å; I1180-L1222 HydrophobicContact CG2-CD1 3.94Å
1181	W	96.5	Very high	77	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	128.7	-174.4	-75.1	78.6	0	0	0	112.1	G1157 S1159 D1162 L1163 L1166 T1179 A1183 L1197 V1201 V1214 F1215 V1216	G1157-W1181 VanDerWaalsContact C-CE3 3.48Å; G1157-W1181 CarbonylContact O-C 3.56Å; G1157-W1181 VanDerWaalsContact O-CA 3.26Å; G1157-W1181 WeakPolarHBondContact O-CA 3.47Å; G1157-W1181 VanDerWaalsContact O-CE3 3.28Å; S1159-W1181 VanDerWaalsContact O-CZ3 3.22Å; S1159-W1181 WeakPolarHBondContact O-CZ3 3.15Å; D1162-W1181 HydrophobicContact CB-CH2 3.63Å; D1162-W1181 HydrophobicContact CB-CZ3 3.87Å; L1163-W1181 HydrophobicContact CD2-CH2 3.7Å; L1163-W1181 HydrophobicContact CD2-CZ2 3.89Å; L1163-W1181 HydrophobicContact CD2-CZ3 4.44Å; L1163-W1181 HydrophobicContact CG-CH2 4.01Å; L1166-W1181 HydrophobicContact CB-CZ2 4.14Å; L1166-W1181 HydrophobicContact CD2-CZ2 3.88Å; T1179-W1181 VanDerWaalsContact OG1-CD1 3.29Å; T1179-W1181 PolarHBondContact OG1-NE1 3.43Å; W1181-A1183 PolarHBondContact O-N 3.23Å; W1181-L1197 HydrophobicContact CE3-CD1 4.14Å; W1181-L1197 HydrophobicContact CE3-CD2 4.13Å; W1181-L1197 HydrophobicContact CE3-CG 4.31Å; W1181-L1197 HydrophobicContact CZ3-CD1 3.9Å; W1181-L1197 HydrophobicContact CZ3-CD2 4.48Å; W1181-V1201 HydrophobicContact CD2-CG1 4.33Å; W1181-V1201 HydrophobicContact CD2-CG2 3.46Å; W1181-V1201 VanDerWaalsContact CD2-CG2 3.46Å; W1181-V1201 VanDerWaalsContact CE2-CG2 3.49Å; W1181-V1201 HydrophobicContact CE3-CG2 3.85Å; W1181-V1201 HydrophobicContact CG-CG1 4.03Å; W1181-V1201 HydrophobicContact CG-CG2 3.84Å; W1181-V1201 HydrophobicContact CH2-CG2 4.22Å; W1181-V1201 HydrophobicContact CZ2-CG2 3.89Å; W1181-V1201 HydrophobicContact CZ3-CG2 4.21Å; W1181-V1214 PolarHBondContact N-O 3.43Å; W1181-F1215 HydrophobicContact CB-CD1 3.68Å; W1181-F1215 HydrophobicContact CB-CE1 3.91Å; W1181-F1215 HydrophobicContact CG-CE1 4.41Å; W1181-F1215 CarbonylContact O-C 3.59Å; W1181-F1215 WeakPolarHBondContact O-CA 3.35Å; W1181-V1216 PolarHBondContact O-N 3.03Å
1182	V	92.3	Very high	74.8	Confident	12 Å²	12	50.8 Å²	50.8	7%	0.073	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	112.3	174.2	-173.4	0	0	0	0	108.8	G951 T952 G1157 D1158 V1216 P1219	G951-V1182 WeakPolarHBondContact O-CG1 3.21Å; T952-V1182 HydrophobicContact CG2-CG2 4.48Å; G1157-V1182 PolarHBondContact O-N 2.87Å; D1158-V1182 WeakPolarHBondContact CA-O 3.48Å; D1158-V1182 HydrophobicContact CB-CB 3.98Å; V1182-V1216 CarbonylContact C-O 3.53Å; V1182-V1216 WeakPolarHBondContact CA-O 3.16Å; V1182-V1216 HydrophobicContact CB-CG2 4.28Å; V1182-V1216 HydrophobicContact CG2-CG2 3.77Å; V1182-P1219 HydrophobicContact CG1-CG 4.38Å
1183	A	88.1	Confident	73.4	Confident	3 Å²	3	50 Å²	50	3%	0.025	28%	0.284	C	S	.	.			trans	-145.6	106	-179.1	0	0	0	0	0	110.6	W1181 K1198 F1215 V1216	W1181-A1183 PolarHBondContact O-N 3.23Å; A1183-K1198 HydrophobicContact CB-CD 4.36Å; A1183-K1198 VanDerWaalsContact CB-CE 3.46Å; A1183-K1198 HydrophobicContact CB-CG 3.99Å; A1183-K1198 PolarHBondContact O-NZ 2.95Å; A1183-F1215 HydrophobicContact CB-CD1 4.49Å; A1183-V1216 PolarHBondContact N-O 3.46Å
1184	C	71.2	Confident	72.4	Confident	42 Å²	42	50.6 Å²	50.6	28%	0.284	29%	0.289	S	S	.	.			trans	-56.1	146.8	-176.2	-157.3	0	0	0	0	112.4
1185	P	57	Low	71.9	Confident	22 Å²	22	52.1 Å²	52.1	14%	0.143	30%	0.295	C	S	.	.			trans	-63.4	140.2	172.7	-20.3	32.3	0	0	0	112	E920 A1187 H1188 C1189	E920-P1185 WeakPolarHBondContact OE1-CG 3.47Å; P1185-A1187 PolarHBondContact O-N 3.38Å; P1185-H1188 PolarHBondContact O-N 3.22Å; P1185-C1189 PolarHBondContact O-N 2.96Å
1186	A	45.3	Very low	71.6	Confident	55 Å²	55	48.9 Å²	48.9	46%	0.455	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-15.2	-178.9	0	0	0	0	0	114.6	H1188	A1186-H1188 VanDerWaalsContact C-N 3.35Å
1187	A	44.4	Very low	71.3	Confident	74 Å²	74	46.7 Å²	46.7	61%	0.612	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-18.9	177.3	0	0	0	0	0	114	P1185	P1185-A1187 PolarHBondContact O-N 3.38Å
1188	H	43	Very low	71	Confident	106 Å²	106	49.4 Å²	49.4	49%	0.491	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119	-20.3	-175.6	-65.1	-26.8	0	0	0	113.8	P919 P1185 A1186	P919-H1188 WeakPolarHBondContact CB-CD2 3.36Å; P919-H1188 VanDerWaalsContact CB-NE2 3.32Å; P919-H1188 WeakPolarHBondContact CB-NE2 3.32Å; P1185-H1188 PolarHBondContact O-N 3.22Å; A1186-H1188 VanDerWaalsContact C-N 3.35Å
1189	C	40	Very low	70.7	Confident	27 Å²	27	55 Å²	55	18%	0.182	30%	0.3	C	S	.	.			trans	-110.7	113.4	163.5	61.8	0	0	0	0	108.8	P1185 H1191	P1185-C1189 PolarHBondContact O-N 2.96Å; C1189-H1191 HydrophobicContact CB-CB 4.06Å; C1189-H1191 PolarHBondContact O-N 2.91Å
1190	H	33.1	Very low	70.5	Confident	193 Å²	193	57.7 Å²	57.7	89%	0.894	31%	0.313	S	S	*	.			trans	-69	28.4	162	-71.6	-26.6	0	0	0	111.9	P1192	H1190-P1192 WeakPolarHBondContact O-CD 3.36Å
1191	H	45.4	Very low	70.4	Confident	79 Å²	79	57.7 Å²	57.7	37%	0.366	31%	0.313	S	S	.	.			trans	-100.6	112.8	-175.4	-147.5	-79.8	0	0	0	109.4	K1115 C1189 S1193	K1115-H1191 PolarHBondContact NZ-NE2 3.32Å; K1115-H1191 VanDerWaalsContact NZ-NE2 3.14Å; C1189-H1191 HydrophobicContact CB-CB 4.06Å; C1189-H1191 PolarHBondContact O-N 2.91Å; H1191-S1193 VanDerWaalsContact ND1-CB 3.3Å; H1191-S1193 WeakPolarHBondContact ND1-CB 3.38Å; H1191-S1193 PolarHBondContact ND1-OG 3.04Å; H1191-S1193 PolarHBondContact O-N 3.34Å
1192	P	48.9	Very low	70.4	Confident	100 Å²	100	62.1 Å²	62.1	65%	0.649	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-12.8	178.7	-23.4	32.5	0	0	0	114.9	H1190 Q1196	H1190-P1192 WeakPolarHBondContact O-CD 3.36Å; P1192-Q1196 PolarHBondContact O-N 2.96Å
1193	S	65.1	Low	70.6	Confident	50 Å²	50	67.4 Å²	67.4	35%	0.35	36%	0.356	S	S	.	.	H	α-helix	trans	-72.8	-28	-174	67.3	0	0	0	0	114.4	H1191 Q1196 L1197	H1191-S1193 VanDerWaalsContact ND1-CB 3.3Å; H1191-S1193 WeakPolarHBondContact ND1-CB 3.38Å; H1191-S1193 PolarHBondContact ND1-OG 3.04Å; H1191-S1193 PolarHBondContact O-N 3.34Å; S1193-Q1196 PolarHBondContact O-N 3.15Å; S1193-L1197 WeakPolarHBondContact O-CB 2.96Å; S1193-L1197 PolarHBondContact O-N 3.07Å
1194	C	75.9	Confident	71	Confident	20 Å²	20	67.8 Å²	67.8	14%	0.135	36%	0.358	C	S	.	.	H	α-helix	trans	-70.2	-44.7	-175.9	-69.3	0	0	0	0	112	Q1196 L1197 K1198	C1194-Q1196 VanDerWaalsContact C-N 3.28Å; C1194-Q1196 PolarHBondContact O-N 3.31Å; C1194-L1197 PolarHBondContact O-N 3.23Å; C1194-K1198 WeakPolarHBondContact O-CG 3.49Å; C1194-K1198 PolarHBondContact O-N 3.49Å
1195	D	83.4	Confident	72.2	Confident	75 Å²	75	65.8 Å²	65.8	40%	0.401	34%	0.344	S	S	.	.	H	α-helix	trans	-67.4	-32.4	174.3	-74.6	-24.1	0	0	0	112	R1199	D1195-R1199 WeakPolarHBondContact O-CB 3.5Å; D1195-R1199 WeakPolarHBondContact O-CG 3.15Å; D1195-R1199 PolarHBondContact O-N 2.98Å; D1195-R1199 PolarHBondContact O-NE 2.85Å; D1195-R1199 VanDerWaalsContact O-NE 3.13Å
1196	Q	87.1	Confident	74.1	Confident	90 Å²	90	69.6 Å²	69.6	42%	0.421	36%	0.36	S	S	.	.	H	α-helix	trans	-65.3	-46	173.1	-179.8	177.5	-6.9	0	0	110.9	P1192 S1193 C1194 R1199 Q1200	P1192-Q1196 PolarHBondContact O-N 2.96Å; S1193-Q1196 PolarHBondContact O-N 3.15Å; C1194-Q1196 VanDerWaalsContact C-N 3.28Å; C1194-Q1196 PolarHBondContact O-N 3.31Å; Q1196-R1199 WeakPolarHBondContact O-CB 3.5Å; Q1196-R1199 PolarHBondContact O-N 3.17Å; Q1196-Q1200 HydrophobicContact CG-CG 4.46Å; Q1196-Q1200 VanDerWaalsContact O-CG 3.3Å; Q1196-Q1200 WeakPolarHBondContact O-CG 3.5Å; Q1196-Q1200 PolarHBondContact O-N 3.36Å
1197	L	89.5	Confident	76.5	Confident	11 Å²	11	71 Å²	71	6%	0.058	37%	0.367	C	S	.	.	H	α-helix	trans	-61.6	-47.3	176.7	-178.5	65.1	0	0	0	111.2	D1158 W1181 S1193 C1194 R1199 Q1200 V1201	D1158-L1197 WeakPolarHBondContact O-CD2 3.24Å; W1181-L1197 HydrophobicContact CE3-CD1 4.14Å; W1181-L1197 HydrophobicContact CE3-CD2 4.13Å; W1181-L1197 HydrophobicContact CE3-CG 4.31Å; W1181-L1197 HydrophobicContact CZ3-CD1 3.9Å; W1181-L1197 HydrophobicContact CZ3-CD2 4.48Å; S1193-L1197 WeakPolarHBondContact O-CB 2.96Å; S1193-L1197 PolarHBondContact O-N 3.07Å; C1194-L1197 PolarHBondContact O-N 3.23Å; L1197-R1199 VanDerWaalsContact C-N 3.27Å; L1197-R1199 PolarHBondContact O-N 3.36Å; L1197-Q1200 PolarHBondContact O-N 3.39Å; L1197-Q1200 VanDerWaalsContact O-N 3.12Å; L1197-V1201 HydrophobicContact CD1-CG2 4.18Å; L1197-V1201 HydrophobicContact CG-CG2 4.35Å; L1197-V1201 WeakPolarHBondContact O-CG2 3.47Å; L1197-V1201 PolarHBondContact O-N 3.36Å
1198	K	91.6	Very high	79	Confident	58 Å²	58	71.7 Å²	71.7	25%	0.252	35%	0.354	S	S	.	.	H	α-helix	trans	-55.1	-43.8	175.2	-73.8	178.8	179.4	173.5	0	111.7	A1183 C1194 K1202 F1215	A1183-K1198 HydrophobicContact CB-CD 4.36Å; A1183-K1198 VanDerWaalsContact CB-CE 3.46Å; A1183-K1198 HydrophobicContact CB-CG 3.99Å; A1183-K1198 PolarHBondContact O-NZ 2.95Å; C1194-K1198 WeakPolarHBondContact O-CG 3.49Å; C1194-K1198 PolarHBondContact O-N 3.49Å; K1198-K1202 VanDerWaalsContact O-CB 3.22Å; K1198-K1202 WeakPolarHBondContact O-CB 3.48Å; K1198-K1202 PolarHBondContact O-N 2.71Å; K1198-K1202 VanDerWaalsContact O-N 3.08Å; K1198-F1215 HydrophobicContact CB-CE1 4.08Å; K1198-F1215 HydrophobicContact CB-CE2 4.45Å; K1198-F1215 HydrophobicContact CB-CZ 4.04Å; K1198-F1215 HydrophobicContact CD-CG 4.43Å; K1198-F1215 HydrophobicContact CG-CD1 3.71Å; K1198-F1215 HydrophobicContact CG-CD2 4.39Å; K1198-F1215 HydrophobicContact CG-CE1 3.76Å; K1198-F1215 HydrophobicContact CG-CE2 4.42Å; K1198-F1215 HydrophobicContact CG-CG 4.04Å; K1198-F1215 HydrophobicContact CG-CZ 4.12Å; K1198-F1215 WeakPolarHBondContact O-CZ 3.23Å
1199	R	92.2	Very high	81.4	Confident	138 Å²	138	69.7 Å²	69.7	52%	0.521	36%	0.362	S	S	.	.	H	α-helix	trans	-62.9	-48.8	174.4	-81.5	178.8	-89.3	138.5	-8.3	112	D1195 Q1196 L1197 V1201 K1202 E1203	D1195-R1199 WeakPolarHBondContact O-CB 3.5Å; D1195-R1199 WeakPolarHBondContact O-CG 3.15Å; D1195-R1199 PolarHBondContact O-N 2.98Å; D1195-R1199 PolarHBondContact O-NE 2.85Å; D1195-R1199 VanDerWaalsContact O-NE 3.13Å; Q1196-R1199 WeakPolarHBondContact O-CB 3.5Å; Q1196-R1199 PolarHBondContact O-N 3.17Å; L1197-R1199 VanDerWaalsContact C-N 3.27Å; L1197-R1199 PolarHBondContact O-N 3.36Å; R1199-V1201 PolarHBondContact O-N 2.97Å; R1199-K1202 PolarHBondContact O-N 3.42Å; R1199-E1203 WeakPolarHBondContact O-CB 3.41Å; R1199-E1203 VanDerWaalsContact O-CG 3.26Å; R1199-E1203 WeakPolarHBondContact O-CG 3.42Å; R1199-E1203 PolarHBondContact O-N 2.98Å
1200	Q	94	Very high	84.1	Confident	57 Å²	57	68.6 Å²	68.6	27%	0.266	35%	0.354	S	S	.	.	H	α-helix	trans	-61.4	-44.4	-179.2	-73.8	171.8	-49.7	0	0	112.7	L1163 Q1196 L1197 L1204	L1163-Q1200 HydrophobicContact CD1-CB 3.95Å; Q1196-Q1200 HydrophobicContact CG-CG 4.46Å; Q1196-Q1200 VanDerWaalsContact O-CG 3.3Å; Q1196-Q1200 WeakPolarHBondContact O-CG 3.5Å; Q1196-Q1200 PolarHBondContact O-N 3.36Å; L1197-Q1200 PolarHBondContact O-N 3.39Å; L1197-Q1200 VanDerWaalsContact O-N 3.12Å; Q1200-L1204 WeakPolarHBondContact O-CB 3.27Å; Q1200-L1204 PolarHBondContact O-N 3.12Å
1201	V	95	Very high	86.9	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-62.6	-47.8	176.5	172.5	0	0	0	0	110.4	L1163 L1166 W1181 L1197 R1199 L1204 C1205 F1215	L1163-V1201 HydrophobicContact CD2-CG2 3.67Å; L1166-V1201 HydrophobicContact CD2-CG1 4.11Å; W1181-V1201 HydrophobicContact CD2-CG1 4.33Å; W1181-V1201 HydrophobicContact CD2-CG2 3.46Å; W1181-V1201 VanDerWaalsContact CD2-CG2 3.46Å; W1181-V1201 VanDerWaalsContact CE2-CG2 3.49Å; W1181-V1201 HydrophobicContact CE3-CG2 3.85Å; W1181-V1201 HydrophobicContact CG-CG1 4.03Å; W1181-V1201 HydrophobicContact CG-CG2 3.84Å; W1181-V1201 HydrophobicContact CH2-CG2 4.22Å; W1181-V1201 HydrophobicContact CZ2-CG2 3.89Å; W1181-V1201 HydrophobicContact CZ3-CG2 4.21Å; L1197-V1201 HydrophobicContact CD1-CG2 4.18Å; L1197-V1201 HydrophobicContact CG-CG2 4.35Å; L1197-V1201 WeakPolarHBondContact O-CG2 3.47Å; L1197-V1201 PolarHBondContact O-N 3.36Å; R1199-V1201 PolarHBondContact O-N 2.97Å; V1201-L1204 PolarHBondContact O-N 3.01Å; V1201-C1205 PolarHBondContact O-N 2.97Å; V1201-F1215 HydrophobicContact CB-CE1 3.97Å; V1201-F1215 HydrophobicContact CB-CZ 4.03Å; V1201-F1215 HydrophobicContact CG1-CE1 3.98Å; V1201-F1215 HydrophobicContact CG1-CZ 3.99Å; V1201-F1215 HydrophobicContact CG2-CE1 4.36Å
1202	K	95.4	Very high	89.3	Confident	93 Å²	93	64.6 Å²	64.6	40%	0.404	33%	0.334	S	S	.	.	H	α-helix	trans	-61.1	-50.6	179.6	177.1	170.8	-179.1	-176.6	0	111.9	K1198 R1199 L1204 C1205 E1206 Y1213	K1198-K1202 VanDerWaalsContact O-CB 3.22Å; K1198-K1202 WeakPolarHBondContact O-CB 3.48Å; K1198-K1202 PolarHBondContact O-N 2.71Å; K1198-K1202 VanDerWaalsContact O-N 3.08Å; R1199-K1202 PolarHBondContact O-N 3.42Å; K1202-L1204 VanDerWaalsContact C-N 3.28Å; K1202-L1204 PolarHBondContact O-N 3.26Å; K1202-C1205 PolarHBondContact O-N 3.29Å; K1202-E1206 WeakPolarHBondContact CE-OE1 3.44Å; K1202-E1206 HydrophobicContact CG-CG 4.37Å; K1202-E1206 WeakPolarHBondContact CG-OE1 3.38Å; K1202-E1206 IonicContact NZ-OE1 2.69Å; K1202-E1206 WeakPolarHBondContact O-CB 3.46Å; K1202-E1206 VanDerWaalsContact O-CG 3.28Å; K1202-E1206 WeakPolarHBondContact O-CG 3.16Å; K1202-E1206 PolarHBondContact O-N 3.48Å; K1202-Y1213 HydrophobicContact CB-CE2 4.47Å; K1202-Y1213 WeakPolarHBondContact CE-OH 3.41Å; K1202-Y1213 HydrophobicContact CG-CE2 4.35Å; K1202-Y1213 WeakPolarHBondContact CG-OH 3.42Å
1203	E	96.6	Very high	91.6	Very high	123 Å²	123	62.4 Å²	62.4	58%	0.575	31%	0.313	S	S	*	.	H	α-helix	trans	-59.7	-40	177.4	-73.9	171.2	-173.1	0	0	111.4	R1199 S1207	R1199-E1203 WeakPolarHBondContact O-CB 3.41Å; R1199-E1203 VanDerWaalsContact O-CG 3.26Å; R1199-E1203 WeakPolarHBondContact O-CG 3.42Å; R1199-E1203 PolarHBondContact O-N 2.98Å; E1203-S1207 VanDerWaalsContact O-CB 3.29Å; E1203-S1207 WeakPolarHBondContact O-CB 3.45Å; E1203-S1207 PolarHBondContact O-N 3.02Å; E1203-S1207 PolarHBondContact O-OG 3Å
1204	L	96.6	Very high	93	Very high	11 Å²	11	61.2 Å²	61.2	6%	0.058	30%	0.304	C	S	.	.	H	α-helix	trans	-65	-51.7	177	-177.1	60.6	0	0	0	111.3	L1163 L1166 R1167 L1170 Q1200 V1201 K1202 E1206 S1207 Y1208	L1163-L1204 HydrophobicContact CD2-CD2 4.19Å; L1166-L1204 HydrophobicContact CB-CD2 4.33Å; L1166-L1204 HydrophobicContact CD2-CD2 4.03Å; L1166-L1204 HydrophobicContact CG-CD2 4.05Å; R1167-L1204 HydrophobicContact CB-CD1 4.36Å; R1167-L1204 HydrophobicContact CB-CD2 4.13Å; R1167-L1204 HydrophobicContact CG-CD1 4.28Å; L1170-L1204 HydrophobicContact CD1-CG 3.94Å; Q1200-L1204 WeakPolarHBondContact O-CB 3.27Å; Q1200-L1204 PolarHBondContact O-N 3.12Å; V1201-L1204 PolarHBondContact O-N 3.01Å; K1202-L1204 VanDerWaalsContact C-N 3.28Å; K1202-L1204 PolarHBondContact O-N 3.26Å; L1204-E1206 PolarHBondContact O-N 3.3Å; L1204-S1207 PolarHBondContact O-N 3.08Å; L1204-S1207 PolarHBondContact O-OG 3.27Å; L1204-Y1208 HydrophobicContact CD1-CD2 4.34Å; L1204-Y1208 HydrophobicContact CD1-CE2 3.93Å; L1204-Y1208 WeakPolarHBondContact O-CD2 3.27Å
1205	C	96.9	Very high	93.9	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-57.1	-47.7	175.8	-76.2	0	0	0	0	111.9	V1201 K1202 S1207 Y1208 G1209 N1210 Y1213	V1201-C1205 PolarHBondContact O-N 2.97Å; K1202-C1205 PolarHBondContact O-N 3.29Å; C1205-S1207 VanDerWaalsContact C-N 3.32Å; C1205-S1207 PolarHBondContact O-N 3.11Å; C1205-Y1208 PolarHBondContact O-N 3.4Å; C1205-Y1208 VanDerWaalsContact O-N 3.15Å; C1205-G1209 PolarHBondContact O-N 3.41Å; C1205-N1210 CarbonylContact C-O 3.46Å; C1205-N1210 HydrophobicContact CB-CB 4.28Å; C1205-N1210 WeakPolarHBondContact O-CB 3.43Å; C1205-N1210 PolarHBondContact O-N 3.29Å; C1205-Y1213 HydrophobicContact CB-CD1 3.65Å; C1205-Y1213 HydrophobicContact CB-CE1 4.08Å
1206	E	95.9	Very high	94.4	Very high	101 Å²	101	59.4 Å²	59.4	47%	0.472	29%	0.29	S	S	.	.	H	α-helix	trans	-65.2	-33.9	-178.7	-72.6	176.9	176.3	0	0	112.4	K1202 L1204 Y1208 G1209 Y1213	K1202-E1206 WeakPolarHBondContact CE-OE1 3.44Å; K1202-E1206 HydrophobicContact CG-CG 4.37Å; K1202-E1206 WeakPolarHBondContact CG-OE1 3.38Å; K1202-E1206 IonicContact NZ-OE1 2.69Å; K1202-E1206 WeakPolarHBondContact O-CB 3.46Å; K1202-E1206 VanDerWaalsContact O-CG 3.28Å; K1202-E1206 WeakPolarHBondContact O-CG 3.16Å; K1202-E1206 PolarHBondContact O-N 3.48Å; L1204-E1206 PolarHBondContact O-N 3.3Å; E1206-Y1208 PolarHBondContact O-N 3.06Å; E1206-G1209 PolarHBondContact O-N 3.44Å; E1206-Y1213 PolarHBondContact OE1-OH 3.45Å
1207	S	96.5	Very high	94.5	Very high	86 Å²	86	55.6 Å²	55.6	60%	0.601	27%	0.274	S	S	*	.	H	α-helix	trans	-62.6	-23.3	175.9	74.2	0	0	0	0	113.9	E1203 L1204 C1205	E1203-S1207 VanDerWaalsContact O-CB 3.29Å; E1203-S1207 WeakPolarHBondContact O-CB 3.45Å; E1203-S1207 PolarHBondContact O-N 3.02Å; E1203-S1207 PolarHBondContact O-OG 3Å; L1204-S1207 PolarHBondContact O-N 3.08Å; L1204-S1207 PolarHBondContact O-OG 3.27Å; C1205-S1207 VanDerWaalsContact C-N 3.32Å; C1205-S1207 PolarHBondContact O-N 3.11Å
1208	Y	96.6	Very high	94.5	Very high	88 Å²	88	56.2 Å²	56.2	35%	0.345	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	8.1	174.2	-72.2	-93.1	0	0	0	112.9	L1170 L1204 C1205 E1206 N1210	L1170-Y1208 HydrophobicContact CB-CD1 4.15Å; L1170-Y1208 HydrophobicContact CB-CD2 3.9Å; L1170-Y1208 HydrophobicContact CB-CE2 4.35Å; L1170-Y1208 HydrophobicContact CB-CG 3.8Å; L1170-Y1208 HydrophobicContact CD1-CD2 4.13Å; L1170-Y1208 WeakPolarHBondContact O-CD1 3.19Å; L1204-Y1208 HydrophobicContact CD1-CD2 4.34Å; L1204-Y1208 HydrophobicContact CD1-CE2 3.93Å; L1204-Y1208 WeakPolarHBondContact O-CD2 3.27Å; C1205-Y1208 PolarHBondContact O-N 3.4Å; C1205-Y1208 VanDerWaalsContact O-N 3.15Å; E1206-Y1208 PolarHBondContact O-N 3.06Å; Y1208-N1210 PolarHBondContact O-N 3.1Å
1209	G	94.1	Very high	94.5	Very high	64 Å²	64	53.9 Å²	53.9	66%	0.66	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	13.6	-177.6	0	0	0	0	0	114.6	C1205 E1206	C1205-G1209 PolarHBondContact O-N 3.41Å; E1206-G1209 PolarHBondContact O-N 3.44Å
1210	N	95.4	Very high	94.4	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.016	25%	0.247	C	C	.	.			trans	-85.3	137	179.4	-179.4	-86.3	0	0	0	111.3	L1170 P1174 T1177 C1205 Y1208 N1212	L1170-N1210 HydrophobicContact CD2-CB 3.53Å; P1174-N1210 PolarHBondContact O-ND2 3.36Å; T1177-N1210 PolarHBondContact O-ND2 2.85Å; C1205-N1210 CarbonylContact C-O 3.46Å; C1205-N1210 HydrophobicContact CB-CB 4.28Å; C1205-N1210 WeakPolarHBondContact O-CB 3.43Å; C1205-N1210 PolarHBondContact O-N 3.29Å; Y1208-N1210 PolarHBondContact O-N 3.1Å; N1210-N1212 PolarHBondContact OD1-N 3.13Å
1211	K	93.7	Very high	94.4	Very high	176 Å²	176	45 Å²	45	77%	0.765	24%	0.235	S	C	*	.			trans	-120.3	9.7	178.4	-61.6	-179	-178.9	177.1	0	113	Y1213	K1211-Y1213 PolarHBondContact O-N 3.39Å
1212	N	95.7	Very high	94.4	Very high	13 Å²	13	45.1 Å²	45.1	7%	0.07	24%	0.235	C	C	.	.			trans	-97.2	60	-171.1	-63.9	-34.2	0	0	0	110.3	L935 R938 E1175 T1177 Y1178 T1179 N1210	L935-N1212 HydrophobicContact CD1-CB 4.13Å; R938-N1212 PolarHBondContact NH2-OD1 2.74Å; E1175-N1212 PolarHBondContact O-ND2 3.32Å; E1175-N1212 VanDerWaalsContact O-ND2 3.1Å; T1177-N1212 WeakPolarHBondContact O-CB 3.47Å; T1177-N1212 PolarHBondContact O-ND2 3.02Å; Y1178-N1212 CarbonylContact C-O 3.56Å; Y1178-N1212 WeakPolarHBondContact CA-O 3.46Å; Y1178-N1212 HydrophobicContact CD1-CB 3.65Å; Y1178-N1212 HydrophobicContact CE1-CB 4.06Å; Y1178-N1212 HydrophobicContact CG-CB 4.06Å; T1179-N1212 PolarHBondContact N-O 3.49Å; N1210-N1212 PolarHBondContact OD1-N 3.13Å
1213	Y	95.6	Very high	94.4	Very high	53 Å²	53	40.7 Å²	40.7	21%	0.208	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	141.3	178.3	61.6	-95.7	0	0	0	111.9	T1179 K1202 C1205 E1206 K1211 F1215	T1179-Y1213 VanDerWaalsContact O-CA 3.29Å; T1179-Y1213 WeakPolarHBondContact O-CA 3.41Å; K1202-Y1213 HydrophobicContact CB-CE2 4.47Å; K1202-Y1213 WeakPolarHBondContact CE-OH 3.41Å; K1202-Y1213 HydrophobicContact CG-CE2 4.35Å; K1202-Y1213 WeakPolarHBondContact CG-OH 3.42Å; C1205-Y1213 HydrophobicContact CB-CD1 3.65Å; C1205-Y1213 HydrophobicContact CB-CE1 4.08Å; E1206-Y1213 PolarHBondContact OE1-OH 3.45Å; K1211-Y1213 PolarHBondContact O-N 3.39Å; Y1213-F1215 AromaticContact CD2-CE2 3.81Å; Y1213-F1215 HydrophobicContact CD2-CE2 3.81Å; Y1213-F1215 HydrophobicContact CD2-CZ 4.24Å; Y1213-F1215 HydrophobicContact CE2-CE2 4.04Å
1214	V	96	Very high	94.1	Very high	26 Å²	26	34.8 Å²	34.8	16%	0.158	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	148.2	172.8	170.3	0	0	0	0	109.5	A932 L935 T1179 I1180 W1181 V1216	A932-V1214 HydrophobicContact CB-CG1 4.19Å; L935-V1214 HydrophobicContact CB-CG2 3.82Å; L935-V1214 HydrophobicContact CD1-CG2 4.22Å; L935-V1214 HydrophobicContact CD2-CB 4.13Å; L935-V1214 HydrophobicContact CD2-CG2 4Å; L935-V1214 HydrophobicContact CG-CG2 4.21Å; T1179-V1214 PolarHBondContact O-N 2.93Å; I1180-V1214 WeakPolarHBondContact CA-O 3.42Å; W1181-V1214 PolarHBondContact N-O 3.43Å; V1214-V1216 HydrophobicContact CG1-CG1 4.47Å
1215	F	94.3	Very high	94	Very high	54 Å²	54	34.3 Å²	34.3	24%	0.237	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	138.8	172.2	-59.7	-76.4	0	0	0	109.8	W1181 A1183 K1198 V1201 Y1213	W1181-F1215 HydrophobicContact CB-CD1 3.68Å; W1181-F1215 HydrophobicContact CB-CE1 3.91Å; W1181-F1215 HydrophobicContact CG-CE1 4.41Å; W1181-F1215 CarbonylContact O-C 3.59Å; W1181-F1215 WeakPolarHBondContact O-CA 3.35Å; A1183-F1215 HydrophobicContact CB-CD1 4.49Å; K1198-F1215 HydrophobicContact CB-CE1 4.08Å; K1198-F1215 HydrophobicContact CB-CE2 4.45Å; K1198-F1215 HydrophobicContact CB-CZ 4.04Å; K1198-F1215 HydrophobicContact CD-CG 4.43Å; K1198-F1215 HydrophobicContact CG-CD1 3.71Å; K1198-F1215 HydrophobicContact CG-CD2 4.39Å; K1198-F1215 HydrophobicContact CG-CE1 3.76Å; K1198-F1215 HydrophobicContact CG-CE2 4.42Å; K1198-F1215 HydrophobicContact CG-CG 4.04Å; K1198-F1215 HydrophobicContact CG-CZ 4.12Å; K1198-F1215 WeakPolarHBondContact O-CZ 3.23Å; V1201-F1215 HydrophobicContact CB-CE1 3.97Å; V1201-F1215 HydrophobicContact CB-CZ 4.03Å; V1201-F1215 HydrophobicContact CG1-CE1 3.98Å; V1201-F1215 HydrophobicContact CG1-CZ 3.99Å; V1201-F1215 HydrophobicContact CG2-CE1 4.36Å; Y1213-F1215 AromaticContact CD2-CE2 3.81Å; Y1213-F1215 HydrophobicContact CD2-CE2 3.81Å; Y1213-F1215 HydrophobicContact CD2-CZ 4.24Å; Y1213-F1215 HydrophobicContact CE2-CE2 4.04Å
1216	V	93	Very high	93.9	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.012	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	149.3	173.6	-61.6	0	0	0	0	109.5	A932 I1180 W1181 V1182 A1183 V1214 V1221 L1222	A932-V1216 HydrophobicContact CB-CG1 3.85Å; I1180-V1216 HydrophobicContact CG2-CG1 3.83Å; I1180-V1216 HydrophobicContact CG2-CG2 4.08Å; W1181-V1216 PolarHBondContact O-N 3.03Å; V1182-V1216 CarbonylContact C-O 3.53Å; V1182-V1216 WeakPolarHBondContact CA-O 3.16Å; V1182-V1216 HydrophobicContact CB-CG2 4.28Å; V1182-V1216 HydrophobicContact CG2-CG2 3.77Å; A1183-V1216 PolarHBondContact N-O 3.46Å; V1214-V1216 HydrophobicContact CG1-CG1 4.47Å; V1216-V1221 HydrophobicContact CB-CB 4.03Å; V1216-V1221 HydrophobicContact CB-CG1 3.69Å; V1216-V1221 HydrophobicContact CG1-CB 4.41Å; V1216-V1221 HydrophobicContact CG1-CG1 3.62Å; V1216-L1222 HydrophobicContact CG2-CB 4.29Å
1217	S	89.9	Confident	93.6	Very high	11 Å²	11	29.6 Å²	29.6	8%	0.077	16%	0.164	C	C	.	.	S	Bend	trans	-73.8	-27.7	-176.6	55.6	0	0	0	0	114.2	H918 E928	H918-S1217 PolarHBondContact CE1-OG 3.13Å; E928-S1217 VanDerWaalsContact CD-OG 3.29Å; E928-S1217 VanDerWaalsContact OE1-CB 3.29Å; E928-S1217 WeakPolarHBondContact OE1-CB 3.27Å; E928-S1217 PolarHBondContact OE1-OG 3.01Å; E928-S1217 WeakPolarHBondContact OE2-CB 3.27Å; E928-S1217 PolarHBondContact OE2-N 2.87Å; E928-S1217 PolarHBondContact OE2-OG 2.95Å
1218	S	88.9	Confident	93.2	Very high	23 Å²	23	28.8 Å²	28.8	16%	0.161	15%	0.151	C	C	.	.	S	Bend	trans	-155.4	161.4	-172.8	67.7	0	0	0	0	112.6	L1220 V1221 L1222	S1218-L1220 PolarHBondContact O-N 3.18Å; S1218-V1221 PolarHBondContact O-N 3.27Å; S1218-V1221 VanDerWaalsContact O-N 3.16Å; S1218-L1222 PolarHBondContact O-N 3.03Å
1219	P	91.6	Very high	92.8	Very high	10 Å²	10	24.6 Å²	24.6	7%	0.065	13%	0.134	C	C	.	.	H	α-helix	trans	-56.4	-33	173.5	-29.4	39.1	0	0	0	114	G951 T952 K954 V1182 V1221 L1222 L1223	G951-P1219 WeakPolarHBondContact O-CG 3.48Å; T952-P1219 WeakPolarHBondContact O-CA 3.46Å; T952-P1219 VanDerWaalsContact O-CB 3.29Å; T952-P1219 WeakPolarHBondContact O-CB 3.43Å; K954-P1219 WeakPolarHBondContact O-CG 3.38Å; V1182-P1219 HydrophobicContact CG1-CG 4.38Å; P1219-V1221 VanDerWaalsContact C-N 3.28Å; P1219-V1221 PolarHBondContact O-N 3.38Å; P1219-L1222 PolarHBondContact O-N 2.77Å; P1219-L1223 WeakPolarHBondContact O-CG 3.45Å; P1219-L1223 PolarHBondContact O-N 2.93Å
1220	L	91.7	Very high	92.2	Very high	9 Å²	9	21.6 Å²	21.6	5%	0.047	10%	0.103	C	C	.	.	H	α-helix	trans	-64.1	-34.1	179.9	-65.4	-172	0	0	0	112.6	L891 L914 F925 Y968 S1218 L1223 G1224	L891-L1220 HydrophobicContact CD1-CD1 4.41Å; L891-L1220 HydrophobicContact CD1-CD2 4.23Å; L914-L1220 HydrophobicContact CD2-CD2 4.16Å; F925-L1220 HydrophobicContact CE2-CB 4.17Å; Y968-L1220 HydrophobicContact CE2-CD2 4.17Å; Y968-L1220 WeakPolarHBondContact OH-CD2 3.39Å; S1218-L1220 PolarHBondContact O-N 3.18Å; L1220-L1223 HydrophobicContact CD2-CD1 4.46Å; L1220-G1224 PolarHBondContact O-N 2.93Å
1221	V	93.6	Very high	91.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-69.1	-42.4	176.4	173.8	0	0	0	0	110.1	F925 E928 V929 V1216 S1218 P1219 G1224 A1225	F925-V1221 HydrophobicContact CD2-CG2 3.54Å; F925-V1221 HydrophobicContact CE2-CB 4.41Å; F925-V1221 HydrophobicContact CE2-CG2 3.68Å; E928-V1221 HydrophobicContact CB-CG1 3.51Å; E928-V1221 HydrophobicContact CB-CG2 4.44Å; V929-V1221 HydrophobicContact CG2-CB 4.47Å; V929-V1221 HydrophobicContact CG2-CG1 3.97Å; V1216-V1221 HydrophobicContact CB-CB 4.03Å; V1216-V1221 HydrophobicContact CB-CG1 3.69Å; V1216-V1221 HydrophobicContact CG1-CB 4.41Å; V1216-V1221 HydrophobicContact CG1-CG1 3.62Å; S1218-V1221 PolarHBondContact O-N 3.27Å; S1218-V1221 VanDerWaalsContact O-N 3.16Å; P1219-V1221 VanDerWaalsContact C-N 3.28Å; P1219-V1221 PolarHBondContact O-N 3.38Å; V1221-G1224 PolarHBondContact O-N 2.95Å; V1221-A1225 WeakPolarHBondContact O-CB 3.47Å; V1221-A1225 PolarHBondContact O-N 3.13Å
1222	L	95.1	Very high	90	Very high	1 Å²	1	19 Å²	19	1%	0.005	9%	0.093	C	C	.	.	H	α-helix	trans	-60.5	-47.1	174.1	177.9	57.7	0	0	0	111.1	M936 T952 L953 C1156 I1180 V1216 S1218 P1219 G1224 A1225 M1226	M936-L1222 HydrophobicContact CE-CD1 3.79Å; T952-L1222 HydrophobicContact CG2-CD2 3.87Å; L953-L1222 HydrophobicContact CD2-CD2 4.21Å; C1156-L1222 HydrophobicContact CB-CD2 4.29Å; I1180-L1222 HydrophobicContact CB-CD1 4.26Å; I1180-L1222 HydrophobicContact CD1-CD1 3.97Å; I1180-L1222 HydrophobicContact CG2-CD1 3.94Å; V1216-L1222 HydrophobicContact CG2-CB 4.29Å; S1218-L1222 PolarHBondContact O-N 3.03Å; P1219-L1222 PolarHBondContact O-N 2.77Å; L1222-G1224 VanDerWaalsContact C-N 3.34Å; L1222-G1224 PolarHBondContact O-N 3.47Å; L1222-A1225 PolarHBondContact O-N 3.15Å; L1222-M1226 HydrophobicContact CD1-CG 4.34Å; L1222-M1226 HydrophobicContact CD1-SD 4.48Å; L1222-M1226 HydrophobicContact CG-SD 4.16Å; L1222-M1226 VanDerWaalsContact O-CG 3.28Å; L1222-M1226 WeakPolarHBondContact O-CG 3.25Å; L1222-M1226 PolarHBondContact O-N 3.01Å
1223	L	94	Very high	87.8	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-61.5	-40.8	175.8	-68.9	173.7	0	0	0	112.1	L953 Y968 S969 I972 Q973 P1219 L1220 A1225 M1226 A1227	L953-L1223 WeakPolarHBondContact O-CD1 3.08Å; Y968-L1223 HydrophobicContact CE2-CD1 3.7Å; S969-L1223 WeakPolarHBondContact OG-CD1 3.35Å; S969-L1223 WeakPolarHBondContact OG-CD2 3.33Å; I972-L1223 HydrophobicContact CD1-CB 4.32Å; I972-L1223 HydrophobicContact CG2-CB 4.46Å; I972-L1223 HydrophobicContact CG2-CD2 4.14Å; I972-L1223 WeakPolarHBondContact CG2-O 3.34Å; Q973-L1223 HydrophobicContact CG-CD2 4.2Å; P1219-L1223 WeakPolarHBondContact O-CG 3.45Å; P1219-L1223 PolarHBondContact O-N 2.93Å; L1220-L1223 HydrophobicContact CD2-CD1 4.46Å; L1223-A1225 VanDerWaalsContact C-N 3.32Å; L1223-A1225 PolarHBondContact O-N 2.97Å; L1223-M1226 HydrophobicContact CD2-SD 4.23Å; L1223-M1226 PolarHBondContact O-N 3.06Å; L1223-A1227 WeakPolarHBondContact O-CB 3.46Å; L1223-A1227 PolarHBondContact O-N 3.29Å
1224	G	92	Very high	85.6	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-60.2	-43.3	174.4	0	0	0	0	0	112	L1220 V1221 L1222 A1227 Q1228	L1220-G1224 PolarHBondContact O-N 2.93Å; V1221-G1224 PolarHBondContact O-N 2.95Å; L1222-G1224 VanDerWaalsContact C-N 3.34Å; L1222-G1224 PolarHBondContact O-N 3.47Å; G1224-A1227 PolarHBondContact O-N 2.62Å; G1224-Q1228 WeakPolarHBondContact O-CB 3.37Å; G1224-Q1228 PolarHBondContact O-N 2.89Å
1225	A	93.8	Very high	82.8	Confident	0 Å²	0	35 Å²	35	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-66.1	-40.7	176.4	0	0	0	0	0	112.7	V929 A932 T933 M936 V1221 L1222 L1223 Q1228 A1229	V929-A1225 HydrophobicContact CG1-CB 4.47Å; A932-A1225 HydrophobicContact CB-CB 3.54Å; T933-A1225 VanDerWaalsContact OG1-CA 3.29Å; T933-A1225 WeakPolarHBondContact OG1-CA 3.5Å; T933-A1225 PolarHBondContact OG1-O 3.37Å; M936-A1225 HydrophobicContact CE-CB 4.27Å; M936-A1225 HydrophobicContact SD-CB 4.44Å; V1221-A1225 WeakPolarHBondContact O-CB 3.47Å; V1221-A1225 PolarHBondContact O-N 3.13Å; L1222-A1225 PolarHBondContact O-N 3.15Å; L1223-A1225 VanDerWaalsContact C-N 3.32Å; L1223-A1225 PolarHBondContact O-N 2.97Å; A1225-Q1228 PolarHBondContact O-N 3.25Å; A1225-A1229 VanDerWaalsContact O-CB 3.28Å; A1225-A1229 WeakPolarHBondContact O-CB 3.38Å; A1225-A1229 PolarHBondContact O-N 3.16Å
1226	M	93.9	Very high	80.2	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-61	-44.9	173.6	-70.6	172.7	72.8	0	0	111.2	M936 F945 L953 I972 Q973 F976 L1222 L1223 A1229 T1230	M936-M1226 HydrophobicContact CE-CG 3.64Å; M936-M1226 HydrophobicContact SD-CG 4.49Å; F945-M1226 HydrophobicContact CE1-CE 4.21Å; F945-M1226 HydrophobicContact CZ-CE 4.47Å; L953-M1226 HydrophobicContact CD2-CE 4.35Å; L953-M1226 HydrophobicContact CD2-SD 3.89Å; I972-M1226 HydrophobicContact CG2-CB 3.77Å; Q973-M1226 HydrophobicContact CG-CE 4.12Å; F976-M1226 HydrophobicContact CB-CB 4.26Å; F976-M1226 HydrophobicContact CB-CE 3.63Å; F976-M1226 HydrophobicContact CD1-CE 3.6Å; F976-M1226 HydrophobicContact CD2-CB 3.89Å; F976-M1226 HydrophobicContact CD2-CE 4.44Å; F976-M1226 HydrophobicContact CD2-CG 4.07Å; F976-M1226 HydrophobicContact CE1-CE 4.37Å; F976-M1226 HydrophobicContact CE2-CG 4.34Å; F976-M1226 HydrophobicContact CG-CB 4.14Å; F976-M1226 HydrophobicContact CG-CE 3.63Å; F976-M1226 HydrophobicContact CG-CG 4.18Å; L1222-M1226 HydrophobicContact CD1-CG 4.34Å; L1222-M1226 HydrophobicContact CD1-SD 4.48Å; L1222-M1226 HydrophobicContact CG-SD 4.16Å; L1222-M1226 VanDerWaalsContact O-CG 3.28Å; L1222-M1226 WeakPolarHBondContact O-CG 3.25Å; L1222-M1226 PolarHBondContact O-N 3.01Å; L1223-M1226 HydrophobicContact CD2-SD 4.23Å; L1223-M1226 PolarHBondContact O-N 3.06Å; M1226-A1229 WeakPolarHBondContact O-CB 3.43Å; M1226-A1229 PolarHBondContact O-N 3.11Å; M1226-T1230 WeakPolarHBondContact O-CG2 3.26Å; M1226-T1230 PolarHBondContact O-N 3.1Å
1227	A	89.7	Confident	77.1	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.008	22%	0.216	C	C	.	.	H	α-helix	trans	-61.5	-50.5	177.5	0	0	0	0	0	110.8	L907 I972 L1223 G1224 A1229 T1230	L907-A1227 HydrophobicContact CD1-CB 4.04Å; I972-A1227 HydrophobicContact CD1-CB 4.23Å; I972-A1227 HydrophobicContact CG1-CB 4.19Å; I972-A1227 HydrophobicContact CG2-CB 4.16Å; L1223-A1227 WeakPolarHBondContact O-CB 3.46Å; L1223-A1227 PolarHBondContact O-N 3.29Å; G1224-A1227 PolarHBondContact O-N 2.62Å; A1227-A1229 PolarHBondContact O-N 2.71Å; A1227-T1230 PolarHBondContact O-N 2.96Å; A1227-T1230 VanDerWaalsContact O-N 3.07Å; A1227-T1230 PolarHBondContact O-OG1 2.8Å
1228	Q	88.1	Confident	74.3	Confident	69 Å²	69	53.4 Å²	53.4	32%	0.322	25%	0.249	S	C	.	.	H	α-helix	trans	-60.1	-33.2	177	-162.6	74.7	-1.7	0	0	112.8	T933 Y937 G1224 A1225 T1230 I1231	T933-Q1228 HydrophobicContact CG2-CB 4.11Å; T933-Q1228 HydrophobicContact CG2-CG 3.92Å; Y937-Q1228 PolarHBondContact OH-O 2.86Å; Y937-Q1228 VanDerWaalsContact OH-O 3.14Å; G1224-Q1228 WeakPolarHBondContact O-CB 3.37Å; G1224-Q1228 PolarHBondContact O-N 2.89Å; A1225-Q1228 PolarHBondContact O-N 3.25Å; Q1228-T1230 PolarHBondContact O-N 3.02Å; Q1228-I1231 PolarHBondContact O-N 3.39Å
1229	A	87.6	Confident	71.6	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-65.9	-22	178.4	0	0	0	0	0	113.6	M936 Y937 F976 A1225 M1226 A1227	M936-A1229 HydrophobicContact CB-CB 4.17Å; M936-A1229 HydrophobicContact SD-CB 3.68Å; Y937-A1229 HydrophobicContact CE1-CB 4.48Å; F976-A1229 HydrophobicContact CD2-CB 4.29Å; F976-A1229 HydrophobicContact CE2-CB 4.01Å; A1225-A1229 VanDerWaalsContact O-CB 3.28Å; A1225-A1229 WeakPolarHBondContact O-CB 3.38Å; A1225-A1229 PolarHBondContact O-N 3.16Å; M1226-A1229 WeakPolarHBondContact O-CB 3.43Å; M1226-A1229 PolarHBondContact O-N 3.11Å; A1227-A1229 PolarHBondContact O-N 2.71Å
1230	T	83.1	Confident	68.6	Low	1 Å²	1	62.2 Å²	62.2	1%	0.006	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-14.8	-176.9	62.6	0	0	0	0	115	T975 F976 R979 M1226 A1227 Q1228 R1232	T975-T1230 HydrophobicContact CG2-CG2 3.88Å; F976-T1230 HydrophobicContact CB-CG2 4.22Å; F976-T1230 HydrophobicContact CD2-CG2 4.39Å; R979-T1230 VanDerWaalsContact CZ-O 3.26Å; R979-T1230 PolarHBondContact NH1-O 2.77Å; M1226-T1230 WeakPolarHBondContact O-CG2 3.26Å; M1226-T1230 PolarHBondContact O-N 3.1Å; A1227-T1230 PolarHBondContact O-N 2.96Å; A1227-T1230 VanDerWaalsContact O-N 3.07Å; A1227-T1230 PolarHBondContact O-OG1 2.8Å; Q1228-T1230 PolarHBondContact O-N 3.02Å; T1230-R1232 VanDerWaalsContact C-N 3.32Å; T1230-R1232 PolarHBondContact O-N 3.17Å
1231	I	74.7	Confident	65.6	Low	73 Å²	73	71.3 Å²	71.3	37%	0.374	35%	0.347	S	S	.	.	S	Bend	trans	-71	-25.9	-176.6	-52.7	171.1	0	0	0	112	L907 Q1228	L907-I1231 HydrophobicContact CD2-CD1 3.35Å; L907-I1231 HydrophobicContact CD2-CG1 3.7Å; Q1228-I1231 PolarHBondContact O-N 3.39Å
1232	R	68.3	Low	62.7	Low	51 Å²	51	74.9 Å²	74.9	19%	0.192	38%	0.383	C	S	.	.	S	Bend	trans	-77.6	160.5	-173.8	67.2	168.6	174.6	-178	-8.8	114.3	M936 Y937 D940 T1230 I1234	M936-R1232 PolarHBondContact O-NH2 2.64Å; Y937-R1232 VanDerWaalsContact CA-NH1 3.26Å; Y937-R1232 VanDerWaalsContact CD1-CZ 3.48Å; Y937-R1232 HydrophobicContact CE1-CG 4.17Å; Y937-R1232 PolarHBondContact O-NH1 3.09Å; D940-R1232 VanDerWaalsContact C-NH2 3.35Å; D940-R1232 VanDerWaalsContact CA-NH2 3.27Å; D940-R1232 PolarHBondContact O-NH2 3.49Å; D940-R1232 IonicContact OD1-NH1 3.95Å; T1230-R1232 VanDerWaalsContact C-N 3.32Å; T1230-R1232 PolarHBondContact O-N 3.17Å; R1232-I1234 HydrophobicContact CG-CG1 4Å
1233	E	48.8	Very low	59.4	Low	191 Å²	191	85.3 Å²	85.3	89%	0.893	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-72.7	123.5	158	-72.6	-177.3	173.8	0	0	109.9
1234	I	49.7	Very low	56.3	Low	34 Å²	34	97 Å²	97	17%	0.174	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-99.6	131	-178.8	-62.1	170	0	0	0	108.6	H941 R979 C980 R1232 I1236	H941-I1234 HydrophobicContact CB-CG2 3.92Å; R979-I1234 HydrophobicContact CB-CD1 4.18Å; R979-I1234 WeakPolarHBondContact O-CD1 3.3Å; C980-I1234 HydrophobicContact CB-CD1 4.48Å; R1232-I1234 HydrophobicContact CG-CG1 4Å; I1234-I1236 PolarHBondContact O-N 2.66Å
1235	R	37.7	Very low	53.4	Low	205 Å²	205	105 Å²	105	77%	0.774	51%	0.509	S	S	*	.			trans	-84.3	95	175	-70.3	-177.8	179.7	-176.4	0.8	109.6	D940 R1237	D940-R1235 PolarHBondContact OD1-N 3.2Å; R1235-R1237 PolarHBondContact O-N 3.02Å
1236	I	40	Very low	50.4	Low	120 Å²	120	109.7 Å²	109.7	62%	0.615	54%	0.542	S	S	*	.			trans	-68.1	99.5	168.1	-54.7	174.2	0	0	0	107.2	I1234 P1238	I1234-I1236 PolarHBondContact O-N 2.66Å; I1236-P1238 VanDerWaalsContact O-CD 3.25Å; I1236-P1238 WeakPolarHBondContact O-CD 3.44Å
1237	R	28	Very low	47.2	Very low	215 Å²	215	115.5 Å²	115.5	81%	0.811	57%	0.573	S	S	*	*			trans	-63.4	117.1	171.4	-69.6	-173.1	-177.4	-169.9	1.9	107.4	R1235 S1239	R1235-R1237 PolarHBondContact O-N 3.02Å; R1237-S1239 PolarHBondContact O-N 3.09Å; R1237-S1239 VanDerWaalsContact O-N 3.16Å
1238	P	30.4	Very low	44.3	Very low	118 Å²	118	123.5 Å²	123.5	77%	0.766	62%	0.615	S	S	*	*			trans	-60.8	125.1	166.3	-4.2	18.2	0	0	0	105.8	I1236 V1240	I1236-P1238 VanDerWaalsContact O-CD 3.25Å; I1236-P1238 WeakPolarHBondContact O-CD 3.44Å; P1238-V1240 PolarHBondContact O-N 2.65Å; P1238-V1240 VanDerWaalsContact O-N 3.08Å
1239	S	31	Very low	41.4	Very low	85 Å²	85	127.4 Å²	127.4	59%	0.594	64%	0.636	S	S	*	*			trans	-45.5	122.9	173.9	58.4	0	0	0	0	109.2	R1237	R1237-S1239 PolarHBondContact O-N 3.09Å; R1237-S1239 VanDerWaalsContact O-N 3.16Å
1240	V	29.8	Very low	38.5	Very low	133 Å²	133	137 Å²	137	81%	0.806	67%	0.673	S	S	*	*			trans	-11.7	126.4	172.3	-176.8	0	0	0	0	114.4	P1238 G1242	P1238-V1240 PolarHBondContact O-N 2.65Å; P1238-V1240 VanDerWaalsContact O-N 3.08Å; V1240-G1242 PolarHBondContact O-N 3.22Å
1241	E	29.1	Very low	35.7	Very low	200 Å²	200	146.9 Å²	146.9	94%	0.935	71%	0.71	S	S	*	*	S	Bend	trans	-32.6	104.8	168.9	-69.8	176	145.9	0	0	111.8
1242	G	32	Very low	33.5	Very low	74 Å²	74	150.5 Å²	150.5	76%	0.763	73%	0.729	S	S	*	*	S	Bend	trans	167.7	-19.7	176.7	0	0	0	0	0	118.9	V1240	V1240-G1242 PolarHBondContact O-N 3.22Å
1243	R	26.6	Very low	31.6	Very low	221 Å²	221	157.5 Å²	157.5	83%	0.834	76%	0.757	S	S	*	*			trans	-146.2	91.7	179.4	-69.9	-173.9	-176.3	170.2	2.1	112.5
1244	R	27.5	Very low	30.6	Very low	245 Å²	245	154 Å²	154	93%	0.925	75%	0.75	S	S	*	*			trans	-90.1	7.6	177.9	-115.8	-177.1	-175.1	-177.7	0.6	115.3
1245	D	31.5	Very low	29.4	Very low	167 Å²	167	161.1 Å²	161.1	89%	0.893	79%	0.785	S	S	*	*	S	Bend	trans	-105.5	17.8	-169.4	-72	-10.1	0	0	0	116.2
1246	S	30.6	Very low	28.9	Very low	100 Å²	100	160.2 Å²	160.2	70%	0.699	79%	0.79	S	S	*	*	S	Bend	trans	-145.6	7.2	178.7	59.8	0	0	0	0	118.1
1247	L	28.1	Very low	28.5	Very low	122 Å²	122	166.2 Å²	166.2	64%	0.639	82%	0.823	S	S	*	*			trans	-101.2	5.4	-172.9	-87.2	158.6	0	0	0	116.1	M1249	L1247-M1249 VanDerWaalsContact C-N 3.32Å; L1247-M1249 PolarHBondContact O-N 3.03Å
1248	D	27.7	Very low	28.6	Very low	169 Å²	169	163.8 Å²	163.8	90%	0.904	82%	0.824	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	8.1	179	-81.7	-16.5	0	0	0	115
1249	M	26.8	Very low	28.5	Very low	152 Å²	152	166.2 Å²	166.2	75%	0.749	83%	0.827	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.6	-10.1	-174.3	-104	-163.3	115.1	0	0	117.5	L1247	L1247-M1249 VanDerWaalsContact C-N 3.32Å; L1247-M1249 PolarHBondContact O-N 3.03Å
1250	Y	26.7	Very low	28.3	Very low	201 Å²	201	170.7 Å²	170.7	79%	0.788	84%	0.84	S	S	*	*			trans	-147.6	49.3	-176	-70.1	-78.6	0	0	0	115.3
1251	R	25.5	Very low	28.2	Very low	208 Å²	208	172.9 Å²	172.9	79%	0.785	84%	0.842	S	S	*	*			trans	-103.1	94.4	162.4	-79.6	-174	176.5	-171.7	-2.1	110.2	Y1253	R1251-Y1253 PolarHBondContact O-N 3.13Å
1252	I	28.7	Very low	28.2	Very low	150 Å²	150	171.3 Å²	171.3	77%	0.769	84%	0.836	S	S	*	*	S	Bend	trans	-77.2	111.3	163.7	-54.9	176.5	0	0	0	105.3
1253	Y	27.9	Very low	27.9	Very low	198 Å²	198	177.7 Å²	177.7	78%	0.776	84%	0.841	S	S	*	*	S	Bend	trans	88	109.9	-171.7	-65	-81.1	0	0	0	116.8	R1251	R1251-Y1253 PolarHBondContact O-N 3.13Å
1254	P	28	Very low	28	Very low	116 Å²	116	174.6 Å²	174.6	75%	0.753	84%	0.841	S	S	*	*			trans	-79.6	121.4	165.5	31.1	-27	0	0	0	109.5
1255	M	23.6	Very low	28.1	Very low	185 Å²	185	169.2 Å²	169.2	91%	0.911	84%	0.835	S	S	*	*			trans	-102.4	107.9	154.1	-73.2	-97.4	-76	0	0	105.4
1256	E	28.5	Very low	27.8	Very low	186 Å²	186	169.4 Å²	169.4	87%	0.869	83%	0.83	S	S	*	*			trans	-110.6	120.1	165	-80.1	-172	159.3	0	0	107.4
1257	D	31.3	Very low	27.5	Very low	246 Å²	246	175.7 Å²	175.7	100%	1.316	84%	0.842	S	S	*	*			trans	39.5	0	172.2	-69.1	-17.8	0	0	0	120.2

Retrieved 1,257 of 1,257 residues in 378.6 ms (Link to these results)

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