A0A096LPX3_POEFO Loading...

Hypoxia up-regulated protein 1

AlphaFold DB , UniProt , Accession A0A096LPX3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 982 aa.

						>A0A096LPX3_POEFO|A0A096LPX3
MGIRIQMVVALTSLLLAVFPSFTVTVAVMSVDLGSEWMKMAIVKPGVPMEIVLNSESRRKTPTVVCLKENERLFGDSALGVSVKNPKTVYRHLQSLLGKKHDNLQVKVYQRYFPEHQLQGDPVRGTVYFNSSLETYYSPEELLGMMLNYSRGLAQDFAEQPIKDTVITVPAFFNQAERRAVLHAAQMADLKVLQLINDNTAVALNYGVFRRKDIDSTAQNVMFYDMGSGSTTATIVSYQTVKTKESGTQPQLQIRGVGFDRSLGGFEMDLRLRDHLAKLFNDQKKSPKDVRENHRAMAKLLKEAQRLKTVLSANVDFMAQVEGLMDDIDFKAKVTRVEFEELCADLFDRVPGPVQEALTAADMKLEAIEQVILVGGATRVPKVQEVLLKAVGKMELGKNINADEAAAMGAVYQAAALSKAFKVKPFLVRDAAIFPIQVEFNREVEEEEGIKTLKHNKRILFQRMAPYPQRKVITFNRYTDDFAFNINYGDLSFLSQEDLSVFGSLNLTTVKLSGVGHSFQKHTDAESKGIKAHFNMDESGVLLLDRVESVFETIVEEKEEESTLTKLGNTISTLFGGGSSEPTSNVSEPIQEEEEVPPESGKESNEAQKNEDKDNETKNDSGKSPTEEKNEEKPEDTTSKTETPQEKGDQKSENAETEKKTKPQKRTKISEDVPMELLINDIMDPTADDLISSKKKLQDLTDRDLAKQEREKILNSLEAFIFETQDKLYQEDHQQVVTEEEQEQILSKLKEASDWLDEEGYGATTRQLKEKLSQLKGLCKDVFFRVAERRKWPELLTDLDNTLNTSNFFLRGAKLIPGDDQIFTEVELNMLEKVINETTVWKNETVAEQEKRSPHERPVLLSRDIESKLLLLQREMNYLLNKAKFAKPKPKPKAKNETTTDAGNKVNATTEEKVIPPTEESKNPKTESLEEQKPGESPPTEESTPHTATDSQSQPIEETIEETLSKETAESATHGNHVEDEL
					

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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	49.7	Very low	70.1	Confident	203 Å²	203	117.3 Å²	117.3	100%	1	62%	0.617	S	S	*	*				0	-62.7	0	-158	161.4	178.4	0	0	111.5	I3 R4 I5	M1-I3 PolarHBondContact O-N 2.91Å; M1-I3 VanDerWaalsContact O-N 3.13Å; M1-R4 PolarHBondContact O-N 3.44Å; M1-I5 HydrophobicContact CG-CD1 4.31Å
2	G	63.5	Low	70.5	Confident	42 Å²	42	113.4 Å²	113.4	43%	0.433	60%	0.602	S	S	.	*	H	α-helix	trans	-45.7	-44.1	-175.7	0	0	0	0	0	117.1	R4 I5 Q6	G2-R4 VanDerWaalsContact C-N 3.29Å; G2-R4 PolarHBondContact O-N 3.07Å; G2-I5 WeakPolarHBondContact O-CA 3.47Å; G2-I5 WeakPolarHBondContact O-CB 3.46Å; G2-I5 PolarHBondContact O-N 3.46Å; G2-Q6 PolarHBondContact O-N 3.16Å
3	I	65.8	Low	70.7	Confident	127 Å²	127	109.8 Å²	109.8	65%	0.651	59%	0.592	S	S	*	*	H	α-helix	trans	-58.3	-37.2	179.2	-60.2	171.9	0	0	0	112.5	M1 Q6 M7	M1-I3 PolarHBondContact O-N 2.91Å; M1-I3 VanDerWaalsContact O-N 3.13Å; I3-Q6 PolarHBondContact O-N 2.92Å; I3-M7 PolarHBondContact O-N 3.42Å
4	R	62.5	Low	70.9	Confident	207 Å²	207	109.9 Å²	109.9	78%	0.781	59%	0.591	S	S	*	*	H	α-helix	trans	-69.2	-34.7	174.6	-76.5	-171.4	176.7	179	-1.6	111.9	M1 G2 V8	M1-R4 PolarHBondContact O-N 3.44Å; G2-R4 VanDerWaalsContact C-N 3.29Å; G2-R4 PolarHBondContact O-N 3.07Å; R4-V8 WeakPolarHBondContact O-CB 3.44Å; R4-V8 VanDerWaalsContact O-CG2 3.28Å; R4-V8 WeakPolarHBondContact O-CG2 3.48Å; R4-V8 PolarHBondContact O-N 3.49Å
5	I	73.9	Confident	70.6	Confident	97 Å²	97	108.7 Å²	108.7	50%	0.497	58%	0.584	S	S	.	*	H	α-helix	trans	-66.8	-44.4	175.4	-59.8	172	0	0	0	109.5	M1 G2 V8 V9	M1-I5 HydrophobicContact CG-CD1 4.31Å; G2-I5 WeakPolarHBondContact O-CA 3.47Å; G2-I5 WeakPolarHBondContact O-CB 3.46Å; G2-I5 PolarHBondContact O-N 3.46Å; I5-V8 PolarHBondContact O-N 3.19Å; I5-V9 HydrophobicContact CG2-CG2 4.33Å; I5-V9 WeakPolarHBondContact O-CB 3.31Å; I5-V9 VanDerWaalsContact O-CG2 3.3Å; I5-V9 WeakPolarHBondContact O-CG2 3.45Å; I5-V9 PolarHBondContact O-N 3.24Å
6	Q	67.8	Low	70.1	Confident	138 Å²	138	109.9 Å²	109.9	65%	0.645	59%	0.589	S	S	*	*	H	α-helix	trans	-62.7	-42.2	175.4	-72.4	175.8	-52.3	0	0	112.6	G2 I3 A10	G2-Q6 PolarHBondContact O-N 3.16Å; I3-Q6 PolarHBondContact O-N 2.92Å; Q6-A10 VanDerWaalsContact O-CB 3.27Å; Q6-A10 WeakPolarHBondContact O-CB 3.41Å; Q6-A10 PolarHBondContact O-N 3.17Å
7	M	71.3	Confident	69.4	Low	134 Å²	134	108.1 Å²	108.1	66%	0.66	59%	0.593	S	S	*	*	H	α-helix	trans	-61.4	-46.2	172.6	-83.6	-175.4	166	0	0	112.4	I3 A10 L11	I3-M7 PolarHBondContact O-N 3.42Å; M7-A10 PolarHBondContact O-N 3.17Å; M7-L11 VanDerWaalsContact O-CB 3.29Å; M7-L11 WeakPolarHBondContact O-CB 3.37Å; M7-L11 PolarHBondContact O-N 2.92Å
8	V	80.2	Confident	68.6	Low	91 Å²	91	108.1 Å²	108.1	55%	0.552	60%	0.596	S	S	*	*	H	α-helix	trans	-63.7	-44.5	179.4	168.2	0	0	0	0	111.1	R4 I5 L11 T12	R4-V8 WeakPolarHBondContact O-CB 3.44Å; R4-V8 VanDerWaalsContact O-CG2 3.28Å; R4-V8 WeakPolarHBondContact O-CG2 3.48Å; R4-V8 PolarHBondContact O-N 3.49Å; I5-V8 PolarHBondContact O-N 3.19Å; V8-L11 PolarHBondContact O-N 2.79Å; V8-T12 PolarHBondContact O-N 3.31Å; V8-T12 PolarHBondContact O-OG1 2.61Å; V8-T12 VanDerWaalsContact O-OG1 3.08Å
9	V	80.7	Confident	67.5	Low	79 Å²	79	109.3 Å²	109.3	48%	0.479	60%	0.595	S	S	.	*	H	α-helix	trans	-63.7	-44.1	176.7	170.4	0	0	0	0	111.3	I5 L11 T12 S13	I5-V9 HydrophobicContact CG2-CG2 4.33Å; I5-V9 WeakPolarHBondContact O-CB 3.31Å; I5-V9 VanDerWaalsContact O-CG2 3.3Å; I5-V9 WeakPolarHBondContact O-CG2 3.45Å; I5-V9 PolarHBondContact O-N 3.24Å; V9-L11 VanDerWaalsContact C-N 3.3Å; V9-L11 PolarHBondContact O-N 3.09Å; V9-T12 PolarHBondContact O-N 3.38Å; V9-T12 PolarHBondContact O-OG1 2.89Å; V9-S13 WeakPolarHBondContact O-CB 3.22Å; V9-S13 PolarHBondContact O-N 3.14Å; V9-S13 PolarHBondContact O-OG 2.84Å; V9-S13 VanDerWaalsContact O-OG 3.08Å
10	A	77.8	Confident	66.6	Low	63 Å²	63	108.6 Å²	108.6	52%	0.521	60%	0.596	S	S	.	*	H	α-helix	trans	-62.4	-38.3	175.5	0	0	0	0	0	112	Q6 M7 L14	Q6-A10 VanDerWaalsContact O-CB 3.27Å; Q6-A10 WeakPolarHBondContact O-CB 3.41Å; Q6-A10 PolarHBondContact O-N 3.17Å; M7-A10 PolarHBondContact O-N 3.17Å; A10-L14 WeakPolarHBondContact O-CB 3.5Å; A10-L14 PolarHBondContact O-N 3.43Å
11	L	77.8	Confident	65.7	Low	109 Å²	109	108.1 Å²	108.1	57%	0.571	60%	0.601	S	S	*	*	H	α-helix	trans	-72.2	-38.9	178.8	-161	73.8	0	0	0	112.2	M7 V8 V9 L14 L15	M7-L11 VanDerWaalsContact O-CB 3.29Å; M7-L11 WeakPolarHBondContact O-CB 3.37Å; M7-L11 PolarHBondContact O-N 2.92Å; V8-L11 PolarHBondContact O-N 2.79Å; V9-L11 VanDerWaalsContact C-N 3.3Å; V9-L11 PolarHBondContact O-N 3.09Å; L11-L14 PolarHBondContact O-N 3.24Å; L11-L15 HydrophobicContact CG-CD1 4.22Å; L11-L15 VanDerWaalsContact O-CD1 3.25Å; L11-L15 WeakPolarHBondContact O-CD1 3.31Å; L11-L15 PolarHBondContact O-N 3.49Å
12	T	75.5	Confident	65.5	Low	71 Å²	71	107.4 Å²	107.4	44%	0.436	59%	0.592	S	S	.	*	H	α-helix	trans	-71.9	-35.6	173.2	49.9	0	0	0	0	112.3	V8 V9 L14 L15 L16	V8-T12 PolarHBondContact O-N 3.31Å; V8-T12 PolarHBondContact O-OG1 2.61Å; V8-T12 VanDerWaalsContact O-OG1 3.08Å; V9-T12 PolarHBondContact O-N 3.38Å; V9-T12 PolarHBondContact O-OG1 2.89Å; T12-L14 VanDerWaalsContact C-N 3.31Å; T12-L14 PolarHBondContact O-N 2.68Å; T12-L15 PolarHBondContact O-N 2.69Å; T12-L16 VanDerWaalsContact O-CB 3.31Å; T12-L16 WeakPolarHBondContact O-CB 3.38Å; T12-L16 WeakPolarHBondContact O-CD1 3.49Å; T12-L16 VanDerWaalsContact O-CG 3.22Å; T12-L16 WeakPolarHBondContact O-CG 3.39Å; T12-L16 PolarHBondContact O-N 2.82Å
13	S	72.1	Confident	64.9	Low	67 Å²	67	110.3 Å²	110.3	47%	0.469	60%	0.602	S	S	.	*	H	α-helix	trans	-61.5	-39.6	169.3	-67.8	0	0	0	0	111.9	V9 L16 A17	V9-S13 WeakPolarHBondContact O-CB 3.22Å; V9-S13 PolarHBondContact O-N 3.14Å; V9-S13 PolarHBondContact O-OG 2.84Å; V9-S13 VanDerWaalsContact O-OG 3.08Å; S13-L16 PolarHBondContact O-N 2.65Å; S13-A17 WeakPolarHBondContact O-CB 3.29Å; S13-A17 PolarHBondContact O-N 2.97Å
14	L	73.5	Confident	64.4	Low	110 Å²	110	109.7 Å²	109.7	58%	0.576	60%	0.604	S	S	*	*	H	α-helix	trans	-68.5	-42	175.6	-167.7	69	0	0	0	111.8	A10 L11 T12 A17 V18	A10-L14 WeakPolarHBondContact O-CB 3.5Å; A10-L14 PolarHBondContact O-N 3.43Å; L11-L14 PolarHBondContact O-N 3.24Å; T12-L14 VanDerWaalsContact C-N 3.31Å; T12-L14 PolarHBondContact O-N 2.68Å; L14-A17 PolarHBondContact O-N 3.44Å; L14-V18 WeakPolarHBondContact O-CB 3.38Å; L14-V18 VanDerWaalsContact O-CG2 3.25Å; L14-V18 WeakPolarHBondContact O-CG2 3.37Å; L14-V18 PolarHBondContact O-N 3.29Å; L14-V18 VanDerWaalsContact O-N 3.1Å
15	L	66.7	Low	64.6	Low	93 Å²	93	103.3 Å²	103.3	49%	0.487	59%	0.588	S	S	.	*	H	α-helix	trans	-61.3	-44	172.1	-98.5	89.9	0	0	0	111.7	L11 T12 A17 V18 F19	L11-L15 HydrophobicContact CG-CD1 4.22Å; L11-L15 VanDerWaalsContact O-CD1 3.25Å; L11-L15 WeakPolarHBondContact O-CD1 3.31Å; L11-L15 PolarHBondContact O-N 3.49Å; T12-L15 PolarHBondContact O-N 2.69Å; L15-A17 PolarHBondContact O-N 2.83Å; L15-V18 CarbonylContact O-C 3.54Å; L15-V18 PolarHBondContact O-N 2.92Å; L15-F19 VanDerWaalsContact O-CD2 3.24Å; L15-F19 WeakPolarHBondContact O-CD2 3.13Å; L15-F19 PolarHBondContact O-N 3.28Å
16	L	62.6	Low	65.2	Low	127 Å²	127	99.8 Å²	99.8	67%	0.665	57%	0.571	S	S	*	*	H	α-helix	trans	-64	-25.8	177.9	-74.7	165.9	0	0	0	113.1	T12 S13	T12-L16 VanDerWaalsContact O-CB 3.31Å; T12-L16 WeakPolarHBondContact O-CB 3.38Å; T12-L16 WeakPolarHBondContact O-CD1 3.49Å; T12-L16 VanDerWaalsContact O-CG 3.22Å; T12-L16 WeakPolarHBondContact O-CG 3.39Å; T12-L16 PolarHBondContact O-N 2.82Å; S13-L16 PolarHBondContact O-N 2.65Å
17	A	58.2	Low	66.4	Low	79 Å²	79	93.3 Å²	93.3	65%	0.653	54%	0.541	S	S	*	.	H	α-helix	trans	-85.8	-9.7	171.4	0	0	0	0	0	114.1	S13 L14 L15	S13-A17 WeakPolarHBondContact O-CB 3.29Å; S13-A17 PolarHBondContact O-N 2.97Å; L14-A17 PolarHBondContact O-N 3.44Å; L15-A17 PolarHBondContact O-N 2.83Å
18	V	55.1	Low	67.5	Low	108 Å²	108	87.1 Å²	87.1	66%	0.655	51%	0.511	S	S	*	.	H	α-helix	trans	-109.5	-18.2	-179.2	169.7	0	0	0	0	112.4	L14 L15	L14-V18 WeakPolarHBondContact O-CB 3.38Å; L14-V18 VanDerWaalsContact O-CG2 3.25Å; L14-V18 WeakPolarHBondContact O-CG2 3.37Å; L14-V18 PolarHBondContact O-N 3.29Å; L14-V18 VanDerWaalsContact O-N 3.1Å; L15-V18 CarbonylContact O-C 3.54Å; L15-V18 PolarHBondContact O-N 2.92Å
19	F	48.8	Very low	68.3	Low	131 Å²	131	82.8 Å²	82.8	58%	0.575	48%	0.484	S	S	*	.	S	Bend	trans	-55.2	126	157.3	-85.4	-75	0	0	0	108.1	L15 S21	L15-F19 VanDerWaalsContact O-CD2 3.24Å; L15-F19 WeakPolarHBondContact O-CD2 3.13Å; L15-F19 PolarHBondContact O-N 3.28Å; F19-S21 PolarHBondContact O-N 3.02Å; F19-S21 VanDerWaalsContact O-N 3.08Å
20	P	47.8	Very low	69.2	Low	95 Å²	95	79 Å²	79	62%	0.617	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-60.3	120.4	166.4	26.6	-31.9	0	0	0	106.7	F22	P20-F22 PolarHBondContact O-N 3.49Å
21	S	48.3	Very low	70.2	Confident	100 Å²	100	76 Å²	76	70%	0.699	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-50.3	119.7	160.9	-70.9	0	0	0	0	106.5	F19 T23	F19-S21 PolarHBondContact O-N 3.02Å; F19-S21 VanDerWaalsContact O-N 3.08Å; S21-T23 PolarHBondContact O-N 3.37Å; S21-T23 PolarHBondContact O-OG1 2.87Å
22	F	45.3	Very low	71.2	Confident	187 Å²	187	71.5 Å²	71.5	82%	0.82	41%	0.413	S	S	*	.			trans	-69.5	75.2	168.2	-72.3	-86.4	0	0	0	107.5	P20 V24	P20-F22 PolarHBondContact O-N 3.49Å; F22-V24 PolarHBondContact O-N 2.87Å
23	T	50.4	Low	72.2	Confident	104 Å²	104	68.5 Å²	68.5	64%	0.638	39%	0.394	S	S	*	.			trans	-62.6	90.4	165.5	33.1	0	0	0	0	106.5	S21 T25	S21-T23 PolarHBondContact O-N 3.37Å; S21-T23 PolarHBondContact O-OG1 2.87Å; T23-T25 PolarHBondContact O-N 2.95Å
24	V	57.2	Low	73.2	Confident	114 Å²	114	66 Å²	66	69%	0.691	38%	0.379	S	S	*	.			trans	-54.7	111	172.3	-174.9	0	0	0	0	106.2	F22 V26	F22-V24 PolarHBondContact O-N 2.87Å; V24-V26 VanDerWaalsContact C-N 3.27Å; V24-V26 HydrophobicContact CB-CG2 4.21Å; V24-V26 HydrophobicContact CG1-CG2 3.77Å; V24-V26 PolarHBondContact O-N 3.08Å
25	T	66.6	Low	74.2	Confident	72 Å²	72	61.7 Å²	61.7	44%	0.442	36%	0.359	S	S	.	.			trans	-72.6	87.2	-179.3	51.5	0	0	0	0	107.7	T23 P161	T23-T25 PolarHBondContact O-N 2.95Å; T25-P161 HydrophobicContact CG2-CB 3.97Å; T25-P161 HydrophobicContact CG2-CG 4.26Å; T25-P161 WeakPolarHBondContact CG2-O 3.17Å
26	V	85.3	Confident	75.5	Confident	24 Å²	24	58.1 Å²	58.1	15%	0.145	34%	0.34	C	S	.	.			trans	-87.4	-24.1	-177.6	175.9	0	0	0	0	111.2	V24 V28 P45 A420 F421	V24-V26 VanDerWaalsContact C-N 3.27Å; V24-V26 HydrophobicContact CB-CG2 4.21Å; V24-V26 HydrophobicContact CG1-CG2 3.77Å; V24-V26 PolarHBondContact O-N 3.08Å; V26-V28 PolarHBondContact O-N 3.01Å; V26-P45 HydrophobicContact CB-CG 3.66Å; V26-P45 HydrophobicContact CG1-CG 3.38Å; V26-P45 HydrophobicContact CG2-CG 4.3Å; V26-A420 HydrophobicContact CB-CB 4.29Å; V26-A420 HydrophobicContact CG1-CB 3.59Å; V26-A420 HydrophobicContact CG2-CB 4.12Å; V26-F421 HydrophobicContact CG1-CE1 4.12Å; V26-F421 HydrophobicContact CG1-CE2 3.98Å; V26-F421 HydrophobicContact CG1-CZ 3.68Å; V26-F421 WeakPolarHBondContact O-CE2 3.36Å; V26-F421 VanDerWaalsContact O-CZ 3.31Å; V26-F421 WeakPolarHBondContact O-CZ 3.33Å
27	A	92.5	Very high	77.1	Confident	2 Å²	2	55.4 Å²	55.4	2%	0.017	32%	0.32	C	S	.	.			trans	-59.8	130.3	176.9	0	0	0	0	0	112.2	V43 K44 A158 Q160 I162	A27-V43 VanDerWaalsContact CA-O 3.31Å; A27-V43 WeakPolarHBondContact CA-O 3.46Å; A27-K44 HydrophobicContact CB-CB 3.95Å; A27-A158 HydrophobicContact CB-CB 4.05Å; A27-Q160 HydrophobicContact CB-CG 3.68Å; A27-I162 HydrophobicContact CB-CD1 4.17Å; A27-I162 HydrophobicContact CB-CG1 3.95Å
28	V	95.4	Very high	78.9	Confident	3 Å²	3	51.7 Å²	51.7	2%	0.018	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	152.8	168.6	-56.6	0	0	0	0	109.3	V26 I42 V43 D164 A414 F421	V26-V28 PolarHBondContact O-N 3.01Å; V28-I42 WeakPolarHBondContact O-CA 3.41Å; V28-V43 HydrophobicContact CG2-CG1 3.65Å; V28-V43 PolarHBondContact N-O 2.78Å; V28-V43 PolarHBondContact O-N 2.86Å; V28-D164 HydrophobicContact CB-CB 4.47Å; V28-D164 HydrophobicContact CG1-CB 3.79Å; V28-A414 HydrophobicContact CB-CB 4.32Å; V28-A414 HydrophobicContact CG2-CB 3.75Å; V28-F421 HydrophobicContact CG1-CE2 4.32Å; V28-F421 HydrophobicContact CG2-CD2 4.38Å; V28-F421 HydrophobicContact CG2-CE2 3.87Å
29	M	97.4	Very high	80.9	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	170.8	-178.3	71	-177.4	-65.9	0	0	112.5	V31 M40 A41 I42 A154 I162 D164 T165 V166 L190	M29-V31 HydrophobicContact CE-CG2 3.82Å; M29-M40 HydrophobicContact CE-CB 4.28Å; M29-M40 HydrophobicContact CE-CG 4.16Å; M29-A41 CarbonylContact C-O 3.55Å; M29-A41 WeakPolarHBondContact CA-O 3.17Å; M29-A41 WeakPolarHBondContact CB-O 3.42Å; M29-I42 HydrophobicContact CB-CG2 3.98Å; M29-A154 HydrophobicContact CB-CB 4.38Å; M29-A154 HydrophobicContact CE-CB 3.6Å; M29-A154 HydrophobicContact SD-CB 3.91Å; M29-I162 HydrophobicContact CB-CD1 4.43Å; M29-I162 HydrophobicContact CB-CG2 4.13Å; M29-I162 HydrophobicContact CG-CG2 3.81Å; M29-I162 HydrophobicContact SD-CG2 3.92Å; M29-D164 PolarHBondContact N-O 2.82Å; M29-T165 WeakPolarHBondContact CG-OG1 3.46Å; M29-T165 VanDerWaalsContact O-CA 3.31Å; M29-T165 WeakPolarHBondContact O-CA 3.2Å; M29-V166 PolarHBondContact O-N 2.78Å; M29-V166 VanDerWaalsContact O-N 3.13Å; M29-L190 HydrophobicContact SD-CD2 4.25Å
30	S	98.6	Very high	83.3	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	160.8	159.1	70.8	0	0	0	0	111.3	M40 A41 V166 A407 V411	S30-M40 VanDerWaalsContact O-CA 3.27Å; S30-M40 WeakPolarHBondContact O-CA 3.36Å; S30-M40 WeakPolarHBondContact O-CB 3.34Å; S30-A41 PolarHBondContact N-O 3.08Å; S30-A41 PolarHBondContact O-N 3.02Å; S30-V166 CarbonylContact C-O 3.23Å; S30-V166 WeakPolarHBondContact CA-O 3.41Å; S30-V166 WeakPolarHBondContact CB-O 3.44Å; S30-A407 PolarHBondContact OG-O 2.85Å; S30-V411 PolarHBondContact OG-N 3.19Å
31	V	98.6	Very high	85.7	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	115.5	168.6	-177.4	0	0	0	0	108.2	M29 L33 M38 M40 L147 V166 I167 T168	M29-V31 HydrophobicContact CE-CG2 3.82Å; V31-L33 HydrophobicContact CG1-CB 4.32Å; V31-L33 PolarHBondContact O-N 3.36Å; V31-M38 HydrophobicContact CG1-CE 3.96Å; V31-M38 HydrophobicContact CG1-CG 3.69Å; V31-M38 HydrophobicContact CG1-SD 3.75Å; V31-M40 HydrophobicContact CG2-CG 4.32Å; V31-L147 HydrophobicContact CB-CD2 4.48Å; V31-L147 HydrophobicContact CG1-CD2 4.17Å; V31-L147 HydrophobicContact CG2-CD2 4.2Å; V31-V166 PolarHBondContact N-O 3.18Å; V31-I167 HydrophobicContact CB-CG1 4.4Å; V31-I167 HydrophobicContact CB-CG2 4.46Å; V31-T168 PolarHBondContact O-N 3.1Å; V31-T168 PolarHBondContact O-OG1 3.04Å
32	D	98.5	Very high	88	Confident	15 Å²	15	32 Å²	32	8%	0.08	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	100.8	158	178.4	36.4	0	0	0	108.6	G34 M38 K39 T168 A406 A407	D32-G34 VanDerWaalsContact C-N 3.34Å; D32-G34 PolarHBondContact O-N 3.03Å; D32-G34 VanDerWaalsContact O-N 3.11Å; D32-M38 VanDerWaalsContact O-CA 3.26Å; D32-M38 WeakPolarHBondContact O-CA 3.47Å; D32-M38 WeakPolarHBondContact O-CG 3.4Å; D32-K39 HydrophobicContact CB-CB 4.36Å; D32-K39 HydrophobicContact CB-CD 3.92Å; D32-K39 PolarHBondContact N-O 2.7Å; D32-K39 PolarHBondContact O-N 3.08Å; D32-K39 VanDerWaalsContact O-N 3.12Å; D32-K39 WeakPolarHBondContact OD2-CD 3.31Å; D32-K39 WeakPolarHBondContact OD2-CE 3.16Å; D32-K39 IonicContact OD2-NZ 3.95Å; D32-K39 PolarHBondContact OD2-NZ 3.06Å; D32-T168 VanDerWaalsContact CA-OG1 3.31Å; D32-T168 WeakPolarHBondContact CA-OG1 3.24Å; D32-T168 PolarHBondContact OD1-OG1 3.3Å; D32-A406 HydrophobicContact CB-CB 4.24Å; D32-A407 HydrophobicContact CB-CB 3.85Å
33	L	96.8	Very high	90.3	Very high	7 Å²	7	23.6 Å²	23.6	4%	0.037	14%	0.137	C	C	.	.			trans	-84.9	76.2	-177.5	177.7	49.4	0	0	0	109.1	V31 M38 Q94 L143 I167 T168 V181	V31-L33 HydrophobicContact CG1-CB 4.32Å; V31-L33 PolarHBondContact O-N 3.36Å; L33-M38 HydrophobicContact CD1-CE 3.65Å; L33-Q94 VanDerWaalsContact CD1-NE2 3.28Å; L33-Q94 VanDerWaalsContact CG-NE2 3.34Å; L33-Q94 PolarHBondContact O-NE2 3.1Å; L33-L143 HydrophobicContact CD1-CD1 3.63Å; L33-L143 HydrophobicContact CD2-CD1 4.2Å; L33-L143 HydrophobicContact CD2-CD2 4.18Å; L33-I167 HydrophobicContact CB-CG2 4.09Å; L33-I167 HydrophobicContact CD2-CG2 3.84Å; L33-T168 WeakPolarHBondContact CB-O 3.34Å; L33-T168 PolarHBondContact N-OG1 3.43Å; L33-V181 HydrophobicContact CD2-CG1 4.08Å; L33-V181 HydrophobicContact CD2-CG2 4.36Å
34	G	94.8	Very high	92.3	Very high	15 Å²	15	19.9 Å²	19.9	16%	0.155	11%	0.111	C	C	.	.			trans	-83.9	143.2	173.5	0	0	0	0	0	113.6	D32 E36 W37 T63 Q94	D32-G34 VanDerWaalsContact C-N 3.34Å; D32-G34 PolarHBondContact O-N 3.03Å; D32-G34 VanDerWaalsContact O-N 3.11Å; G34-E36 PolarHBondContact O-N 3.13Å; G34-E36 VanDerWaalsContact O-N 3.14Å; G34-W37 WeakPolarHBondContact CA-O 3.41Å; G34-T63 WeakPolarHBondContact O-CB 3.44Å; G34-T63 PolarHBondContact O-OG1 3.17Å; G34-Q94 PolarHBondContact O-NE2 2.93Å
35	S	93.2	Very high	93.7	Very high	20 Å²	20	18.2 Å²	18.2	14%	0.14	10%	0.103	C	C	.	.	S	Bend	trans	-56	-31.1	-174.5	35.5	0	0	0	0	115.3	Q94 G229	S35-Q94 VanDerWaalsContact CA-CD 3.48Å; S35-G229 PolarHBondContact OG-N 3.15Å
36	E	94.7	Very high	94.5	Very high	18 Å²	18	19.2 Å²	19.2	8%	0.084	13%	0.127	C	C	.	.	S	Bend	trans	-121.3	-28.3	174.3	-174.9	178	-136.3	0	0	113.2	G34 P62 T63 R91 H92 S228 Q305	G34-E36 PolarHBondContact O-N 3.13Å; G34-E36 VanDerWaalsContact O-N 3.14Å; E36-P62 CarbonylContact O-C 3.49Å; E36-P62 WeakPolarHBondContact O-CA 3.47Å; E36-T63 PolarHBondContact O-N 3.21Å; E36-R91 IonicContact OE1-NH2 2.72Å; E36-H92 WeakPolarHBondContact CG-NE2 3.18Å; E36-H92 IonicContact OE1-NE2 2.7Å; E36-H92 PolarHBondContact OE1-NE2 2.97Å; E36-H92 VanDerWaalsContact OE1-NE2 3.1Å; E36-S228 WeakPolarHBondContact CB-OG 3.3Å; E36-S228 PolarHBondContact OE2-OG 2.93Å; E36-Q305 PolarHBondContact OE1-NE2 2.78Å
37	W	95.4	Very high	94.4	Very high	70 Å²	70	20.1 Å²	20.1	27%	0.265	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	106.1	-173.3	-63.2	98	0	0	0	111.4	G34 K39 K60 P62 T63	G34-W37 WeakPolarHBondContact CA-O 3.41Å; W37-K39 WeakPolarHBondContact O-CE 3.46Å; W37-K39 PolarHBondContact O-NZ 3.14Å; W37-K60 HydrophobicContact CB-CD 4.42Å; W37-K60 HydrophobicContact CD2-CD 3.98Å; W37-K60 HydrophobicContact CE3-CB 4.35Å; W37-K60 HydrophobicContact CE3-CD 3.67Å; W37-K60 HydrophobicContact CE3-CG 3.71Å; W37-K60 HydrophobicContact CG-CD 4.3Å; W37-K60 HydrophobicContact CZ3-CD 4.28Å; W37-K60 HydrophobicContact CZ3-CG 4.15Å; W37-P62 HydrophobicContact CE3-CG 4.38Å; W37-P62 HydrophobicContact CH2-CG 4.22Å; W37-P62 HydrophobicContact CZ3-CG 3.74Å; W37-T63 PolarHBondContact N-OG1 3.02Å
38	M	96.3	Very high	94.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	145.9	171.8	-174.4	177.3	-75.6	0	0	110.9	V31 D32 L33 K60 T61 T63 M146 S150	V31-M38 HydrophobicContact CG1-CE 3.96Å; V31-M38 HydrophobicContact CG1-CG 3.69Å; V31-M38 HydrophobicContact CG1-SD 3.75Å; D32-M38 VanDerWaalsContact O-CA 3.26Å; D32-M38 WeakPolarHBondContact O-CA 3.47Å; D32-M38 WeakPolarHBondContact O-CG 3.4Å; L33-M38 HydrophobicContact CD1-CE 3.65Å; M38-K60 WeakPolarHBondContact O-CA 3.39Å; M38-T61 PolarHBondContact N-O 2.98Å; M38-T61 PolarHBondContact O-N 3.45Å; M38-T63 HydrophobicContact CE-CG2 4.41Å; M38-T63 PolarHBondContact N-OG1 3.39Å; M38-M146 HydrophobicContact CE-CB 4.27Å; M38-M146 HydrophobicContact CE-CE 4.34Å; M38-M146 HydrophobicContact SD-CE 4.17Å; M38-S150 PolarHBondContact SD-OG 2.89Å
39	K	97.9	Very high	94.1	Very high	21 Å²	21	27 Å²	27	9%	0.091	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	153.5	167.7	-43.8	88.3	-172.5	167.1	0	108	D32 W37 K60 D403 A407	D32-K39 HydrophobicContact CB-CB 4.36Å; D32-K39 HydrophobicContact CB-CD 3.92Å; D32-K39 PolarHBondContact N-O 2.7Å; D32-K39 PolarHBondContact O-N 3.08Å; D32-K39 VanDerWaalsContact O-N 3.12Å; D32-K39 WeakPolarHBondContact OD2-CD 3.31Å; D32-K39 WeakPolarHBondContact OD2-CE 3.16Å; D32-K39 IonicContact OD2-NZ 3.95Å; D32-K39 PolarHBondContact OD2-NZ 3.06Å; W37-K39 WeakPolarHBondContact O-CE 3.46Å; W37-K39 PolarHBondContact O-NZ 3.14Å; K39-K60 HydrophobicContact CG-CB 3.8Å; K39-D403 VanDerWaalsContact CD-O 3.25Å; K39-D403 WeakPolarHBondContact CD-O 3.3Å; K39-D403 WeakPolarHBondContact CE-O 3.28Å; K39-A407 HydrophobicContact CB-CB 4.27Å
40	M	97.9	Very high	94	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	145.1	175.4	-53.6	122.1	-58.8	0	0	108.3	M29 S30 V31 I51 V52 S150 L153	M29-M40 HydrophobicContact CE-CB 4.28Å; M29-M40 HydrophobicContact CE-CG 4.16Å; S30-M40 VanDerWaalsContact O-CA 3.27Å; S30-M40 WeakPolarHBondContact O-CA 3.36Å; S30-M40 WeakPolarHBondContact O-CB 3.34Å; V31-M40 HydrophobicContact CG2-CG 4.32Å; M40-I51 WeakPolarHBondContact O-CA 3.48Å; M40-V52 HydrophobicContact CB-CB 4.09Å; M40-V52 HydrophobicContact CB-CG2 4.11Å; M40-V52 PolarHBondContact O-N 3.09Å; M40-S150 VanDerWaalsContact SD-CB 3.55Å; M40-L153 HydrophobicContact CE-CD1 4.17Å; M40-L153 HydrophobicContact SD-CD1 4.14Å
41	A	98.1	Very high	93.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	152.4	168.7	0	0	0	0	0	109.8	M29 S30 E50 I51 A407 M408 V411	M29-A41 CarbonylContact C-O 3.55Å; M29-A41 WeakPolarHBondContact CA-O 3.17Å; M29-A41 WeakPolarHBondContact CB-O 3.42Å; S30-A41 PolarHBondContact N-O 3.08Å; S30-A41 PolarHBondContact O-N 3.02Å; A41-E50 CarbonylContact C-O 3.57Å; A41-E50 WeakPolarHBondContact CA-O 3.49Å; A41-E50 WeakPolarHBondContact CB-O 3.28Å; A41-I51 HydrophobicContact CB-CD1 4.15Å; A41-A407 HydrophobicContact CB-CB 4.26Å; A41-M408 HydrophobicContact CB-SD 4.19Å; A41-V411 HydrophobicContact CB-CB 3.85Å; A41-V411 HydrophobicContact CB-CG1 3.64Å; A41-V411 HydrophobicContact CB-CG2 4.39Å
42	I	96.7	Very high	93.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	161.9	175.4	60.7	122.3	0	0	0	111.2	V28 M29 K44 M49 E50 V52 A154 F157 A158 I162	V28-I42 WeakPolarHBondContact O-CA 3.41Å; M29-I42 HydrophobicContact CB-CG2 3.98Å; I42-K44 HydrophobicContact CD1-CD 4.41Å; I42-K44 HydrophobicContact CD1-CG 4.31Å; I42-M49 WeakPolarHBondContact O-CA 3.47Å; I42-E50 PolarHBondContact N-O 3.14Å; I42-E50 PolarHBondContact O-N 2.95Å; I42-V52 HydrophobicContact CB-CG2 4.36Å; I42-V52 HydrophobicContact CG1-CG2 4.16Å; I42-V52 HydrophobicContact CG2-CG2 3.6Å; I42-A154 HydrophobicContact CG2-CB 3.85Å; I42-F157 HydrophobicContact CD1-CD1 3.65Å; I42-F157 HydrophobicContact CD1-CE1 3.95Å; I42-F157 HydrophobicContact CG1-CD1 3.76Å; I42-F157 HydrophobicContact CG1-CE1 4.03Å; I42-A158 HydrophobicContact CD1-CB 4.39Å; I42-I162 HydrophobicContact CG2-CD1 4.06Å
43	V	94.8	Very high	93.7	Very high	10 Å²	10	33 Å²	33	6%	0.061	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	136.5	158.8	61.8	0	0	0	0	108.6	A27 V28 M49 V411 A415 F421	A27-V43 VanDerWaalsContact CA-O 3.31Å; A27-V43 WeakPolarHBondContact CA-O 3.46Å; V28-V43 HydrophobicContact CG2-CG1 3.65Å; V28-V43 PolarHBondContact N-O 2.78Å; V28-V43 PolarHBondContact O-N 2.86Å; V43-M49 HydrophobicContact CB-CG 3.98Å; V43-M49 HydrophobicContact CG2-CG 4.12Å; V43-V411 HydrophobicContact CB-CG2 4.29Å; V43-V411 HydrophobicContact CG1-CG2 4.05Å; V43-A415 HydrophobicContact CG1-CB 4.02Å; V43-F421 HydrophobicContact CB-CZ 4.36Å; V43-F421 HydrophobicContact CG1-CD2 4.36Å; V43-F421 HydrophobicContact CG1-CE1 4.17Å; V43-F421 HydrophobicContact CG1-CE2 3.82Å; V43-F421 HydrophobicContact CG1-CZ 3.72Å; V43-F421 HydrophobicContact CG2-CD1 4.32Å; V43-F421 HydrophobicContact CG2-CE1 3.78Å; V43-F421 HydrophobicContact CG2-CZ 4.1Å; V43-F421 WeakPolarHBondContact O-CZ 3.11Å
44	K	92	Very high	93.6	Very high	25 Å²	25	33.1 Å²	33.1	11%	0.109	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	157.6	176.2	70.3	-179.6	-177.7	-175.4	0	110.2	A27 I42 G46 V47 F157 A158 E159	A27-K44 HydrophobicContact CB-CB 3.95Å; I42-K44 HydrophobicContact CD1-CD 4.41Å; I42-K44 HydrophobicContact CD1-CG 4.31Å; K44-G46 PolarHBondContact O-N 3.08Å; K44-V47 HydrophobicContact CD-CG2 4.25Å; K44-V47 HydrophobicContact CG-CB 3.69Å; K44-V47 HydrophobicContact CG-CG1 4.4Å; K44-V47 HydrophobicContact CG-CG2 3.66Å; K44-V47 PolarHBondContact O-N 3.23Å; K44-F157 PolarHBondContact NZ-O 2.99Å; K44-F157 VanDerWaalsContact NZ-O 3.08Å; K44-A158 HydrophobicContact CD-CB 4.22Å; K44-A158 WeakPolarHBondContact CD-O 3.5Å; K44-A158 PolarHBondContact NZ-O 3.31Å; K44-E159 IonicContact NZ-OE2 2.71Å; K44-E159 PolarHBondContact NZ-OE2 2.68Å; K44-E159 VanDerWaalsContact NZ-OE2 3.14Å
45	P	86.4	Confident	93.4	Very high	80 Å²	80	36 Å²	36	52%	0.519	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	131.9	-179.1	-27.9	37.6	0	0	0	112.2	V26 V47	V26-P45 HydrophobicContact CB-CG 3.66Å; V26-P45 HydrophobicContact CG1-CG 3.38Å; V26-P45 HydrophobicContact CG2-CG 4.3Å; P45-V47 VanDerWaalsContact C-N 3.25Å; P45-V47 PolarHBondContact O-N 2.82Å
46	G	82.9	Confident	93.3	Very high	92 Å²	92	39.7 Å²	39.7	95%	0.948	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.1	-5.2	-177.5	0	0	0	0	0	115.7	K44	K44-G46 PolarHBondContact O-N 3.08Å
47	V	83.4	Confident	93.4	Very high	44 Å²	44	43.3 Å²	43.3	27%	0.267	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	136.7	-179.7	-176.9	0	0	0	0	109.4	K44 P45	K44-V47 HydrophobicContact CD-CG2 4.25Å; K44-V47 HydrophobicContact CG-CB 3.69Å; K44-V47 HydrophobicContact CG-CG1 4.4Å; K44-V47 HydrophobicContact CG-CG2 3.66Å; K44-V47 PolarHBondContact O-N 3.23Å; P45-V47 VanDerWaalsContact C-N 3.25Å; P45-V47 PolarHBondContact O-N 2.82Å
48	P	87.4	Confident	93.4	Very high	95 Å²	95	46.1 Å²	46.1	62%	0.617	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.9	176.5	175.6	29.8	-36.7	0	0	0	112.2	E50	P48-E50 PolarHBondContact O-N 2.93Å
49	M	94.2	Very high	93.4	Very high	53 Å²	53	51 Å²	51	26%	0.261	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	125.7	167.3	-68	160.4	-175.4	0	0	109.2	I42 V43 M408 V411 Y412 A415 V423	I42-M49 WeakPolarHBondContact O-CA 3.47Å; V43-M49 HydrophobicContact CB-CG 3.98Å; V43-M49 HydrophobicContact CG2-CG 4.12Å; M49-M408 HydrophobicContact CB-CE 3.8Å; M49-V411 HydrophobicContact CB-CG1 3.93Å; M49-V411 HydrophobicContact CG-CG1 3.96Å; M49-V411 HydrophobicContact SD-CG1 4.4Å; M49-Y412 HydrophobicContact CE-CD2 3.79Å; M49-Y412 HydrophobicContact CE-CG 4.35Å; M49-Y412 HydrophobicContact SD-CD2 3.85Å; M49-Y412 HydrophobicContact SD-CG 4.44Å; M49-A415 HydrophobicContact CE-CB 3.48Å; M49-A415 VanDerWaalsContact CE-CB 3.48Å; M49-V423 HydrophobicContact CE-CG1 4.21Å
50	E	95.1	Very high	93.3	Very high	80 Å²	80	53.1 Å²	53.1	37%	0.374	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	147.8	-175	-176.4	161	-152.5	0	0	112.5	A41 I42 P48 F157	A41-E50 CarbonylContact C-O 3.57Å; A41-E50 WeakPolarHBondContact CA-O 3.49Å; A41-E50 WeakPolarHBondContact CB-O 3.28Å; I42-E50 PolarHBondContact N-O 3.14Å; I42-E50 PolarHBondContact O-N 2.95Å; P48-E50 PolarHBondContact O-N 2.93Å; E50-F157 HydrophobicContact CG-CE1 4.4Å; E50-F157 HydrophobicContact CG-CZ 4.05Å
51	I	97.8	Very high	93.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	124.8	174.6	-63.5	-74.8	0	0	0	109.9	M40 A41 R59 E404 A407 M408	M40-I51 WeakPolarHBondContact O-CA 3.48Å; A41-I51 HydrophobicContact CB-CD1 4.15Å; I51-R59 HydrophobicContact CG2-CB 3.9Å; I51-R59 HydrophobicContact CG2-CG 4.27Å; I51-R59 WeakPolarHBondContact CG2-O 3.2Å; I51-E404 HydrophobicContact CD1-CB 4.05Å; I51-E404 HydrophobicContact CD1-CG 4.03Å; I51-E404 HydrophobicContact CG1-CB 4.31Å; I51-E404 HydrophobicContact CG1-CG 4.01Å; I51-A407 HydrophobicContact CD1-CB 3.8Å; I51-M408 HydrophobicContact CD1-CG 4.16Å; I51-M408 HydrophobicContact CD1-SD 3.92Å; I51-M408 HydrophobicContact CG1-CG 4.46Å; I51-M408 HydrophobicContact CG1-SD 3.91Å
52	V	96.9	Very high	93.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-67.5	133.8	174.9	179.5	0	0	0	0	109.9	M40 I42 L153 A154 F157	M40-V52 HydrophobicContact CB-CB 4.09Å; M40-V52 HydrophobicContact CB-CG2 4.11Å; M40-V52 PolarHBondContact O-N 3.09Å; I42-V52 HydrophobicContact CB-CG2 4.36Å; I42-V52 HydrophobicContact CG1-CG2 4.16Å; I42-V52 HydrophobicContact CG2-CG2 3.6Å; V52-L153 HydrophobicContact CG1-CB 3.99Å; V52-A154 HydrophobicContact CG2-CB 4.25Å; V52-F157 HydrophobicContact CG1-CB 4.07Å; V52-F157 HydrophobicContact CG1-CD2 4.4Å; V52-F157 HydrophobicContact CG1-CG 4.35Å
53	L	96.2	Very high	93.2	Very high	63 Å²	63	53.3 Å²	53.3	33%	0.33	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-85.2	144.4	170.7	-55.5	-176.3	0	0	0	110.8	R58 R59 F157	L53-R58 WeakPolarHBondContact CA-O 3.09Å; L53-R59 HydrophobicContact CD2-CB 4.43Å; L53-R59 HydrophobicContact CD2-CG 3.48Å; L53-R59 VanDerWaalsContact CD2-CG 3.48Å; L53-F157 HydrophobicContact CG-CE2 4.38Å
54	N	93.9	Very high	93.3	Very high	8 Å²	8	53 Å²	53	4%	0.043	30%	0.301	C	S	.	.			trans	-83	-179	169.6	79.7	-0.6	0	0	0	112.4	E56 S57 R58 T61 D76 L153	N54-E56 PolarHBondContact O-N 2.94Å; N54-E56 VanDerWaalsContact O-N 3.15Å; N54-E56 WeakPolarHBondContact OD1-CA 3.15Å; N54-E56 WeakPolarHBondContact OD1-CB 3.33Å; N54-E56 PolarHBondContact OD1-N 2.94Å; N54-S57 WeakPolarHBondContact O-CA 3.32Å; N54-S57 PolarHBondContact O-N 3.44Å; N54-S57 PolarHBondContact OD1-N 3.41Å; N54-R58 PolarHBondContact N-O 3.3Å; N54-R58 WeakPolarHBondContact OD1-CB 3.26Å; N54-R58 PolarHBondContact OD1-N 3.03Å; N54-T61 WeakPolarHBondContact CB-OG1 3.48Å; N54-T61 PolarHBondContact ND2-OG1 3.22Å; N54-D76 PolarHBondContact ND2-OD2 2.93Å; N54-L153 HydrophobicContact CB-CD1 3.9Å
55	S	90.1	Very high	93.5	Very high	75 Å²	75	51.9 Å²	51.9	52%	0.524	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-32.4	179.8	57.5	0	0	0	0	113.7	S57	S55-S57 PolarHBondContact O-N 3.13Å
56	E	92.1	Very high	93.9	Very high	99 Å²	99	48.1 Å²	48.1	46%	0.463	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85	13.9	178.1	-47.1	-47.5	116.4	0	0	112.6	N54 R58 D76	N54-E56 PolarHBondContact O-N 2.94Å; N54-E56 VanDerWaalsContact O-N 3.15Å; N54-E56 WeakPolarHBondContact OD1-CA 3.15Å; N54-E56 WeakPolarHBondContact OD1-CB 3.33Å; N54-E56 PolarHBondContact OD1-N 2.94Å; E56-R58 HydrophobicContact CB-CG 4Å; E56-R58 PolarHBondContact O-N 2.87Å; E56-D76 HydrophobicContact CG-CB 3.93Å
57	S	95.3	Very high	94.4	Very high	94 Å²	94	44.3 Å²	44.3	66%	0.657	23%	0.23	S	C	*	.	S	Bend	trans	58.5	25.7	-174	-58.6	0	0	0	0	114.4	N54 S55	N54-S57 WeakPolarHBondContact O-CA 3.32Å; N54-S57 PolarHBondContact O-N 3.44Å; N54-S57 PolarHBondContact OD1-N 3.41Å; S55-S57 PolarHBondContact O-N 3.13Å
58	R	95.7	Very high	94.4	Very high	129 Å²	129	45 Å²	45	49%	0.487	23%	0.229	S	C	.	.			trans	-93	140	-178	-59.5	173.4	176.5	-154.7	-10.8	111.6	L53 N54 E56 K60 D76	L53-R58 WeakPolarHBondContact CA-O 3.09Å; N54-R58 PolarHBondContact N-O 3.3Å; N54-R58 WeakPolarHBondContact OD1-CB 3.26Å; N54-R58 PolarHBondContact OD1-N 3.03Å; E56-R58 HydrophobicContact CB-CG 4Å; E56-R58 PolarHBondContact O-N 2.87Å; R58-K60 WeakPolarHBondContact CB-O 3.38Å; R58-K60 PolarHBondContact O-N 3.46Å; R58-D76 IonicContact CZ-OD1 3.31Å; R58-D76 IonicContact NE-OD1 3.14Å; R58-D76 IonicContact NH1-OD1 2.8Å; R58-D76 PolarHBondContact NH1-OD1 2.87Å
59	R	96.6	Very high	93.5	Very high	102 Å²	102	47.9 Å²	47.9	39%	0.385	23%	0.234	S	C	.	.	S	Bend	trans	-73.9	2	175.2	-64.8	177.3	73.1	82.1	-7	114.4	I51 L53 E404	I51-R59 HydrophobicContact CG2-CB 3.9Å; I51-R59 HydrophobicContact CG2-CG 4.27Å; I51-R59 WeakPolarHBondContact CG2-O 3.2Å; L53-R59 HydrophobicContact CD2-CB 4.43Å; L53-R59 HydrophobicContact CD2-CG 3.48Å; L53-R59 VanDerWaalsContact CD2-CG 3.48Å; R59-E404 IonicContact CZ-OE1 3.02Å; R59-E404 IonicContact CZ-OE2 3.4Å; R59-E404 IonicContact NE-OE1 3.44Å; R59-E404 PolarHBondContact NE-OE1 3.34Å; R59-E404 IonicContact NE-OE2 3.32Å; R59-E404 IonicContact NH2-OE1 2.74Å; R59-E404 PolarHBondContact NH2-OE1 3.13Å; R59-E404 IonicContact NH2-OE2 2.66Å; R59-E404 PolarHBondContact NH2-OE2 2.57Å
60	K	95.4	Very high	92.3	Very high	66 Å²	66	51.7 Å²	51.7	29%	0.287	26%	0.256	S	S	.	.	S	Bend	trans	-149.7	147	174.5	66.2	-178.7	-176.4	-176.3	0	110.7	W37 M38 K39 R58	W37-K60 HydrophobicContact CB-CD 4.42Å; W37-K60 HydrophobicContact CD2-CD 3.98Å; W37-K60 HydrophobicContact CE3-CB 4.35Å; W37-K60 HydrophobicContact CE3-CD 3.67Å; W37-K60 HydrophobicContact CE3-CG 3.71Å; W37-K60 HydrophobicContact CG-CD 4.3Å; W37-K60 HydrophobicContact CZ3-CD 4.28Å; W37-K60 HydrophobicContact CZ3-CG 4.15Å; M38-K60 WeakPolarHBondContact O-CA 3.39Å; K39-K60 HydrophobicContact CG-CB 3.8Å; R58-K60 WeakPolarHBondContact CB-O 3.38Å; R58-K60 PolarHBondContact O-N 3.46Å
61	T	97.1	Very high	91.6	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	134.5	-175.8	-62.2	0	0	0	0	109.7	M38 N54 T63 Y149	M38-T61 PolarHBondContact N-O 2.98Å; M38-T61 PolarHBondContact O-N 3.45Å; N54-T61 WeakPolarHBondContact CB-OG1 3.48Å; N54-T61 PolarHBondContact ND2-OG1 3.22Å; T61-T63 PolarHBondContact O-N 3.46Å; T61-Y149 HydrophobicContact CG2-CE1 4.03Å
62	P	97.1	Very high	91.4	Very high	2 Å²	2	52 Å²	52	1%	0.013	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	131.7	170.9	-24.9	33.7	0	0	0	112.5	E36 W37 V64 G75 D76 L79	E36-P62 CarbonylContact O-C 3.49Å; E36-P62 WeakPolarHBondContact O-CA 3.47Å; W37-P62 HydrophobicContact CE3-CG 4.38Å; W37-P62 HydrophobicContact CH2-CG 4.22Å; W37-P62 HydrophobicContact CZ3-CG 3.74Å; P62-V64 HydrophobicContact CB-CB 4.3Å; P62-V64 HydrophobicContact CB-CG2 3.71Å; P62-V64 PolarHBondContact O-N 2.9Å; P62-G75 WeakPolarHBondContact O-CA 3.32Å; P62-D76 WeakPolarHBondContact CD-OD2 3.37Å; P62-L79 HydrophobicContact CB-CB 4.35Å; P62-L79 HydrophobicContact CB-CD2 4.14Å; P62-L79 HydrophobicContact CG-CB 4.37Å; P62-L79 HydrophobicContact CG-CD2 3.82Å
63	T	96.9	Very high	91.2	Very high	3 Å²	3	53.9 Å²	53.9	2%	0.018	27%	0.266	C	S	.	.			trans	-78.4	67.9	176.1	-49.6	0	0	0	0	110.1	G34 E36 W37 M38 T61	G34-T63 WeakPolarHBondContact O-CB 3.44Å; G34-T63 PolarHBondContact O-OG1 3.17Å; E36-T63 PolarHBondContact O-N 3.21Å; W37-T63 PolarHBondContact N-OG1 3.02Å; M38-T63 HydrophobicContact CE-CG2 4.41Å; M38-T63 PolarHBondContact N-OG1 3.39Å; T61-T63 PolarHBondContact O-N 3.46Å
64	V	96.8	Very high	91.2	Very high	4 Å²	4	52 Å²	52	2%	0.024	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	131.6	-166.5	-172.6	0	0	0	0	111.2	P62 G75 A78 V89 Y90 R91	P62-V64 HydrophobicContact CB-CB 4.3Å; P62-V64 HydrophobicContact CB-CG2 3.71Å; P62-V64 PolarHBondContact O-N 2.9Å; V64-G75 PolarHBondContact O-N 3.36Å; V64-A78 HydrophobicContact CB-CB 4.18Å; V64-A78 HydrophobicContact CG1-CB 3.76Å; V64-V89 HydrophobicContact CG1-CG1 3.32Å; V64-Y90 WeakPolarHBondContact CA-O 3.48Å; V64-R91 HydrophobicContact CG1-CB 4.45Å; V64-R91 HydrophobicContact CG2-CB 4.07Å
65	V	96.4	Very high	91.3	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	131.4	175.3	-176.3	0	0	0	0	109.6	L67 F74 V89 Y90 L142 M145 M146	V65-L67 HydrophobicContact CG1-CD2 3.86Å; V65-L67 HydrophobicContact CG1-CG 4.14Å; V65-F74 HydrophobicContact CG1-CD1 4.34Å; V65-F74 HydrophobicContact CG1-CE1 3.9Å; V65-F74 HydrophobicContact CG2-CD1 4.11Å; V65-F74 HydrophobicContact CG2-CE1 4.09Å; V65-V89 CarbonylContact O-C 3.42Å; V65-V89 WeakPolarHBondContact O-CA 3.35Å; V65-Y90 PolarHBondContact N-O 3.5Å; V65-Y90 PolarHBondContact O-N 2.87Å; V65-L142 HydrophobicContact CG1-CD2 4.44Å; V65-M145 HydrophobicContact CG1-SD 4.28Å; V65-M146 HydrophobicContact CG2-CG 3.55Å; V65-M146 HydrophobicContact CG2-SD 3.71Å
66	C	95.3	Very high	91.6	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.014	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	133.2	167.6	-177.6	0	0	0	0	110.1	R72 L73 A78 T88 V89	C66-R72 WeakPolarHBondContact O-CA 3.27Å; C66-L73 HydrophobicContact CB-CB 3.99Å; C66-L73 PolarHBondContact N-O 2.86Å; C66-L73 PolarHBondContact O-N 3.05Å; C66-A78 HydrophobicContact CB-CB 3.92Å; C66-T88 CarbonylContact C-O 3.57Å; C66-T88 VanDerWaalsContact CA-O 3.27Å; C66-T88 WeakPolarHBondContact CA-O 3.48Å; C66-V89 HydrophobicContact CB-CG2 3.9Å
67	L	92.4	Very high	91.7	Very high	12 Å²	12	47.3 Å²	47.3	6%	0.063	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	103.6	172.8	-55.7	-179.1	0	0	0	109.7	V65 R72 T88 Y90 Y137 L142 M145	V65-L67 HydrophobicContact CG1-CD2 3.86Å; V65-L67 HydrophobicContact CG1-CG 4.14Å; L67-R72 HydrophobicContact CD2-CB 4.32Å; L67-R72 HydrophobicContact CD2-CG 3.66Å; L67-T88 PolarHBondContact N-O 3.17Å; L67-T88 VanDerWaalsContact O-CB 3.31Å; L67-T88 WeakPolarHBondContact O-CB 3.5Å; L67-Y90 HydrophobicContact CB-CE2 4.12Å; L67-Y90 HydrophobicContact CD1-CD2 4.49Å; L67-Y90 HydrophobicContact CD1-CE2 3.87Å; L67-Y90 HydrophobicContact CG-CD2 4.42Å; L67-Y90 HydrophobicContact CG-CE2 3.93Å; L67-Y137 HydrophobicContact CD1-CD2 3.59Å; L67-Y137 HydrophobicContact CD1-CE1 4.48Å; L67-Y137 HydrophobicContact CD1-CE2 3.4Å; L67-Y137 VanDerWaalsContact CD1-CE2 3.4Å; L67-Y137 HydrophobicContact CD1-CG 4.22Å; L67-L142 HydrophobicContact CD1-CD2 3.83Å; L67-M145 HydrophobicContact CD1-CE 4.27Å; L67-M145 HydrophobicContact CD2-CE 4.27Å; L67-M145 HydrophobicContact CD2-SD 3.95Å
68	K	83.7	Confident	91.7	Very high	57 Å²	57	42.9 Å²	42.9	25%	0.248	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	121.8	-175.9	178.2	178.4	-179.6	-71.2	0	111.1	N70 E71 T88	K68-N70 VanDerWaalsContact C-N 3.3Å; K68-N70 PolarHBondContact O-N 3.11Å; K68-N70 VanDerWaalsContact O-N 3.12Å; K68-E71 PolarHBondContact N-O 2.64Å; K68-E71 WeakPolarHBondContact O-CA 3.48Å; K68-E71 WeakPolarHBondContact O-CB 3.35Å; K68-E71 PolarHBondContact O-N 2.92Å; K68-T88 HydrophobicContact CB-CG2 4.43Å
69	E	69.4	Low	91.7	Very high	156 Å²	156	38.8 Å²	38.8	73%	0.729	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.5	43	164.2	-64.4	156.2	-144.6	0	0	114.8
70	N	68.8	Low	91.5	Very high	134 Å²	134	36.4 Å²	36.4	72%	0.717	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.4	2.2	-174.1	-56.3	-56.9	0	0	0	117.4	K68	K68-N70 VanDerWaalsContact C-N 3.3Å; K68-N70 PolarHBondContact O-N 3.11Å; K68-N70 VanDerWaalsContact O-N 3.12Å
71	E	80.5	Confident	91.5	Very high	70 Å²	70	34.5 Å²	34.5	33%	0.327	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	140.1	170.5	174.9	167	-134.3	0	0	111.8	K68 L73 K707	K68-E71 PolarHBondContact N-O 2.64Å; K68-E71 WeakPolarHBondContact O-CA 3.48Å; K68-E71 WeakPolarHBondContact O-CB 3.35Å; K68-E71 PolarHBondContact O-N 2.92Å; E71-L73 HydrophobicContact CG-CD2 4.14Å; E71-L73 HydrophobicContact CG-CG 4.2Å; E71-K707 IonicContact OE1-NZ 3.9Å; E71-K707 PolarHBondContact OE1-NZ 3.25Å; E71-K707 IonicContact OE2-NZ 2.77Å
72	R	92.1	Very high	91.3	Very high	16 Å²	16	35.4 Å²	35.4	6%	0.06	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	140.4	164	-55.7	-162.5	-62.7	-170.5	-1.1	110.6	C66 L67 F74 M145 L700 T701 D704	C66-R72 WeakPolarHBondContact O-CA 3.27Å; L67-R72 HydrophobicContact CD2-CB 4.32Å; L67-R72 HydrophobicContact CD2-CG 3.66Å; R72-F74 HydrophobicContact CB-CE2 4.08Å; R72-F74 HydrophobicContact CB-CZ 4.04Å; R72-M145 PolarHBondContact NH1-SD 2.83Å; R72-L700 HydrophobicContact CG-CD2 4.44Å; R72-L700 VanDerWaalsContact CZ-CB 3.49Å; R72-T701 PolarHBondContact NH2-OG1 2.64Å; R72-D704 IonicContact CZ-OD2 3.55Å; R72-D704 IonicContact NE-OD2 2.83Å; R72-D704 PolarHBondContact NE-OD2 2.94Å; R72-D704 IonicContact NH2-OD2 3.34Å; R72-D704 PolarHBondContact NH2-OD2 3.4Å
73	L	94.4	Very high	91.1	Very high	39 Å²	39	36.5 Å²	36.5	20%	0.204	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	153.5	166.3	-53.5	167.4	0	0	0	109.5	C66 E71 A78 V81	C66-L73 HydrophobicContact CB-CB 3.99Å; C66-L73 PolarHBondContact N-O 2.86Å; C66-L73 PolarHBondContact O-N 3.05Å; E71-L73 HydrophobicContact CG-CD2 4.14Å; E71-L73 HydrophobicContact CG-CG 4.2Å; L73-A78 HydrophobicContact CB-CB 4.19Å; L73-V81 HydrophobicContact CD1-CB 4.5Å; L73-V81 HydrophobicContact CD1-CG2 3.6Å
74	F	95.9	Very high	90.9	Very high	23 Å²	23	43.4 Å²	43.4	10%	0.101	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	164	179.5	-58.5	-72.5	0	0	0	110.7	V65 R72 S77 A78 M145 M146 Y149	V65-F74 HydrophobicContact CG1-CD1 4.34Å; V65-F74 HydrophobicContact CG1-CE1 3.9Å; V65-F74 HydrophobicContact CG2-CD1 4.11Å; V65-F74 HydrophobicContact CG2-CE1 4.09Å; R72-F74 HydrophobicContact CB-CE2 4.08Å; R72-F74 HydrophobicContact CB-CZ 4.04Å; F74-S77 PolarHBondContact O-N 3.45Å; F74-A78 PolarHBondContact O-N 2.89Å; F74-A78 VanDerWaalsContact O-N 3.16Å; F74-M145 HydrophobicContact CE1-CB 3.73Å; F74-M145 HydrophobicContact CZ-CB 4.06Å; F74-M146 HydrophobicContact CD1-SD 3.88Å; F74-Y149 HydrophobicContact CB-CD1 3.57Å; F74-Y149 HydrophobicContact CB-CD2 4Å; F74-Y149 HydrophobicContact CB-CE1 3.66Å; F74-Y149 HydrophobicContact CB-CE2 4.11Å; F74-Y149 HydrophobicContact CB-CG 3.74Å; F74-Y149 HydrophobicContact CD1-CG 4.45Å; F74-Y149 AromaticContact CD2-CD2 3.76Å; F74-Y149 HydrophobicContact CD2-CD2 3.76Å; F74-Y149 HydrophobicContact CD2-CE2 4.35Å; F74-Y149 AromaticContact CD2-CG 3.9Å; F74-Y149 HydrophobicContact CD2-CG 3.9Å; F74-Y149 HydrophobicContact CG-CD1 4.05Å; F74-Y149 HydrophobicContact CG-CD2 4.03Å; F74-Y149 AromaticContact CG-CG 3.75Å; F74-Y149 HydrophobicContact CG-CG 3.75Å
75	G	96	Very high	90.7	Very high	0 Å²	0	46 Å²	46	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	58	-136.1	167.6	0	0	0	0	0	114.5	P62 V64 S77 A78 L79	P62-G75 WeakPolarHBondContact O-CA 3.32Å; V64-G75 PolarHBondContact O-N 3.36Å; G75-S77 VanDerWaalsContact C-N 3.27Å; G75-S77 PolarHBondContact O-N 3.36Å; G75-A78 PolarHBondContact O-N 2.74Å; G75-L79 WeakPolarHBondContact O-CB 3.35Å; G75-L79 PolarHBondContact O-N 3.12Å
76	D	95.4	Very high	90.6	Very high	28 Å²	28	46.6 Å²	46.6	15%	0.15	25%	0.25	C	C	.	.	H	α-helix	trans	-59.9	-34.7	-179.3	-66.1	-89.5	0	0	0	112.5	N54 E56 R58 P62 L79 G80	N54-D76 PolarHBondContact ND2-OD2 2.93Å; E56-D76 HydrophobicContact CG-CB 3.93Å; R58-D76 IonicContact CZ-OD1 3.31Å; R58-D76 IonicContact NE-OD1 3.14Å; R58-D76 IonicContact NH1-OD1 2.8Å; R58-D76 PolarHBondContact NH1-OD1 2.87Å; P62-D76 WeakPolarHBondContact CD-OD2 3.37Å; D76-L79 PolarHBondContact O-N 2.7Å; D76-G80 PolarHBondContact O-N 2.98Å
77	S	94.6	Very high	90.5	Very high	57 Å²	57	52.4 Å²	52.4	40%	0.399	28%	0.275	S	S	.	.	H	α-helix	trans	-67.1	-42.9	176.4	-59.3	0	0	0	0	112.4	F74 G75 G80 V81	F74-S77 PolarHBondContact O-N 3.45Å; G75-S77 VanDerWaalsContact C-N 3.27Å; G75-S77 PolarHBondContact O-N 3.36Å; S77-G80 PolarHBondContact O-N 2.75Å; S77-V81 PolarHBondContact O-N 2.91Å
78	A	95.6	Very high	90.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65	-43.5	173.7	0	0	0	0	0	111.6	V64 C66 L73 F74 G75 G80 V81 S82	V64-A78 HydrophobicContact CB-CB 4.18Å; V64-A78 HydrophobicContact CG1-CB 3.76Å; C66-A78 HydrophobicContact CB-CB 3.92Å; L73-A78 HydrophobicContact CB-CB 4.19Å; F74-A78 PolarHBondContact O-N 2.89Å; F74-A78 VanDerWaalsContact O-N 3.16Å; G75-A78 PolarHBondContact O-N 2.74Å; A78-G80 VanDerWaalsContact C-N 3.29Å; A78-G80 PolarHBondContact O-N 3.08Å; A78-V81 PolarHBondContact O-N 3.31Å; A78-V81 VanDerWaalsContact O-N 3.11Å; A78-S82 PolarHBondContact O-N 2.97Å
79	L	94.7	Very high	91.1	Very high	44 Å²	44	50.8 Å²	50.8	23%	0.23	27%	0.27	C	S	.	.	H	α-helix	trans	-62.1	-36.4	176.4	-175.9	60.9	0	0	0	111.8	P62 G75 D76 V81 S82	P62-L79 HydrophobicContact CB-CB 4.35Å; P62-L79 HydrophobicContact CB-CD2 4.14Å; P62-L79 HydrophobicContact CG-CB 4.37Å; P62-L79 HydrophobicContact CG-CD2 3.82Å; G75-L79 WeakPolarHBondContact O-CB 3.35Å; G75-L79 PolarHBondContact O-N 3.12Å; D76-L79 PolarHBondContact O-N 2.7Å; L79-V81 VanDerWaalsContact C-N 3.28Å; L79-V81 PolarHBondContact O-N 2.89Å; L79-S82 WeakPolarHBondContact O-CB 3.46Å; L79-S82 PolarHBondContact O-N 3.37Å; L79-S82 PolarHBondContact O-OG 2.83Å
80	G	93.7	Very high	92.4	Very high	51 Å²	51	43.5 Å²	43.5	53%	0.526	24%	0.236	S	C	.	.	H	α-helix	trans	-62.4	-30.6	173.5	0	0	0	0	0	114.1	D76 S77 A78	D76-G80 PolarHBondContact O-N 2.98Å; S77-G80 PolarHBondContact O-N 2.75Å; A78-G80 VanDerWaalsContact C-N 3.29Å; A78-G80 PolarHBondContact O-N 3.08Å
81	V	94.1	Very high	93.7	Very high	27 Å²	27	38 Å²	38	16%	0.164	21%	0.206	C	C	.	.	H	α-helix	trans	-82.3	-21.9	177	175.3	0	0	0	0	113	L73 S77 A78 L79 V83 K84 N85 V89	L73-V81 HydrophobicContact CD1-CB 4.5Å; L73-V81 HydrophobicContact CD1-CG2 3.6Å; S77-V81 PolarHBondContact O-N 2.91Å; A78-V81 PolarHBondContact O-N 3.31Å; A78-V81 VanDerWaalsContact O-N 3.11Å; L79-V81 VanDerWaalsContact C-N 3.28Å; L79-V81 PolarHBondContact O-N 2.89Å; V81-V83 PolarHBondContact O-N 3.28Å; V81-V83 VanDerWaalsContact O-N 3.08Å; V81-K84 WeakPolarHBondContact O-CA 3.26Å; V81-K84 PolarHBondContact O-N 2.88Å; V81-N85 HydrophobicContact CG1-CB 4.05Å; V81-N85 PolarHBondContact O-N 3.35Å; V81-V89 HydrophobicContact CB-CG2 4.35Å; V81-V89 HydrophobicContact CG1-CG2 4.12Å
82	S	93.6	Very high	94.4	Very high	19 Å²	19	35.4 Å²	35.4	13%	0.133	19%	0.193	C	C	.	.	H	α-helix	trans	-50.5	-38.5	-177.5	67.3	0	0	0	0	114.5	A78 L79 P86	A78-S82 PolarHBondContact O-N 2.97Å; L79-S82 WeakPolarHBondContact O-CB 3.46Å; L79-S82 PolarHBondContact O-N 3.37Å; L79-S82 PolarHBondContact O-OG 2.83Å; S82-P86 VanDerWaalsContact O-CA 3.25Å; S82-P86 WeakPolarHBondContact O-CA 3.37Å; S82-P86 WeakPolarHBondContact O-CB 3.29Å; S82-P86 WeakPolarHBondContact O-CD 3.35Å
83	V	93.1	Very high	94.5	Very high	24 Å²	24	34.9 Å²	34.9	15%	0.145	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-25.8	178.5	176	0	0	0	0	112.7	V81 R295 K299 K302	V81-V83 PolarHBondContact O-N 3.28Å; V81-V83 VanDerWaalsContact O-N 3.08Å; V83-R295 VanDerWaalsContact O-CG 3.31Å; V83-R295 WeakPolarHBondContact O-CG 3.42Å; V83-K299 HydrophobicContact CG1-CG 3.5Å; V83-K299 VanDerWaalsContact CG1-CG 3.5Å; V83-K302 HydrophobicContact CG2-CB 4.5Å; V83-K302 HydrophobicContact CG2-CD 4.17Å
84	K	92.8	Very high	94.5	Very high	148 Å²	148	33.8 Å²	33.8	64%	0.643	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-47	178	-66.7	-178.7	-180	177.7	0	110.9	V81	V81-K84 WeakPolarHBondContact O-CA 3.26Å; V81-K84 PolarHBondContact O-N 2.88Å
85	N	92.6	Very high	94.4	Very high	58 Å²	58	34 Å²	34	31%	0.31	19%	0.19	S	C	.	.			trans	-134.5	68.5	-172.7	-52.6	-56.5	0	0	0	111.2	V81 K87 T88	V81-N85 HydrophobicContact CG1-CB 4.05Å; V81-N85 PolarHBondContact O-N 3.35Å; N85-K87 PolarHBondContact O-N 3.14Å; N85-T88 WeakPolarHBondContact CB-OG1 3.47Å; N85-T88 PolarHBondContact O-N 3.36Å; N85-T88 VanDerWaalsContact O-N 3.11Å; N85-T88 PolarHBondContact O-OG1 2.93Å
86	P	93.9	Very high	94.4	Very high	13 Å²	13	34.1 Å²	34.1	8%	0.084	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-58.7	-35.8	-174.2	20.5	-31.7	0	0	0	113.2	S82 T88 V89 E115 H116 H294 A298	S82-P86 VanDerWaalsContact O-CA 3.25Å; S82-P86 WeakPolarHBondContact O-CA 3.37Å; S82-P86 WeakPolarHBondContact O-CB 3.29Å; S82-P86 WeakPolarHBondContact O-CD 3.35Å; P86-T88 PolarHBondContact O-N 3.1Å; P86-T88 VanDerWaalsContact O-N 3.09Å; P86-V89 PolarHBondContact O-N 3.31Å; P86-V89 VanDerWaalsContact O-N 3.11Å; P86-E115 HydrophobicContact CB-CG 4.15Å; P86-H116 PolarHBondContact O-NE2 3.47Å; P86-H294 HydrophobicContact CG-CB 3.81Å; P86-A298 HydrophobicContact CB-CB 4.4Å
87	K	93.4	Very high	94.5	Very high	124 Å²	124	32.8 Å²	32.8	54%	0.539	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-55.7	-25.2	177.1	-69.7	-175.6	172.5	-172.4	0	114.8	N85 E115	N85-K87 PolarHBondContact O-N 3.14Å; K87-E115 HydrophobicContact CG-CB 3.79Å
88	T	93.4	Very high	94.5	Very high	32 Å²	32	30.4 Å²	30.4	20%	0.196	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-102.7	3.8	-177.5	59.4	0	0	0	0	113.7	C66 L67 K68 N85 P86	C66-T88 CarbonylContact C-O 3.57Å; C66-T88 VanDerWaalsContact CA-O 3.27Å; C66-T88 WeakPolarHBondContact CA-O 3.48Å; L67-T88 PolarHBondContact N-O 3.17Å; L67-T88 VanDerWaalsContact O-CB 3.31Å; L67-T88 WeakPolarHBondContact O-CB 3.5Å; K68-T88 HydrophobicContact CB-CG2 4.43Å; N85-T88 WeakPolarHBondContact CB-OG1 3.47Å; N85-T88 PolarHBondContact O-N 3.36Å; N85-T88 VanDerWaalsContact O-N 3.11Å; N85-T88 PolarHBondContact O-OG1 2.93Å; P86-T88 PolarHBondContact O-N 3.1Å; P86-T88 VanDerWaalsContact O-N 3.09Å
89	V	95.6	Very high	94.6	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.018	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	106.2	-171.2	-176.6	0	0	0	0	111.3	V64 V65 C66 V81 P86 H116	V64-V89 HydrophobicContact CG1-CG1 3.32Å; V65-V89 CarbonylContact O-C 3.42Å; V65-V89 WeakPolarHBondContact O-CA 3.35Å; C66-V89 HydrophobicContact CB-CG2 3.9Å; V81-V89 HydrophobicContact CB-CG2 4.35Å; V81-V89 HydrophobicContact CG1-CG2 4.12Å; P86-V89 PolarHBondContact O-N 3.31Å; P86-V89 VanDerWaalsContact O-N 3.11Å; V89-H116 PolarHBondContact N-NE2 2.92Å; V89-H116 PolarHBondContact O-CE1 2.73Å; V89-H116 PolarHBondContact O-NE2 3.05Å
90	Y	96.1	Very high	94.6	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.016	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	135.6	-175.1	-44.5	-77.2	0	0	0	110.9	V64 V65 L67 H116 F129 S131 L142	V64-Y90 WeakPolarHBondContact CA-O 3.48Å; V65-Y90 PolarHBondContact N-O 3.5Å; V65-Y90 PolarHBondContact O-N 2.87Å; L67-Y90 HydrophobicContact CB-CE2 4.12Å; L67-Y90 HydrophobicContact CD1-CD2 4.49Å; L67-Y90 HydrophobicContact CD1-CE2 3.87Å; L67-Y90 HydrophobicContact CG-CD2 4.42Å; L67-Y90 HydrophobicContact CG-CE2 3.93Å; Y90-H116 VanDerWaalsContact CA-CE1 3.46Å; Y90-H116 WeakPolarHBondContact CA-CE1 3.36Å; Y90-H116 AromaticContact CD1-CD2 3.96Å; Y90-F129 AromaticContact CD1-CD1 3.37Å; Y90-F129 HydrophobicContact CD1-CD1 3.37Å; Y90-F129 AromaticContact CD1-CE1 3.62Å; Y90-F129 HydrophobicContact CD1-CE1 3.62Å; Y90-F129 HydrophobicContact CD1-CG 4.06Å; Y90-F129 HydrophobicContact CD1-CZ 4.47Å; Y90-F129 HydrophobicContact CE1-CB 4.12Å; Y90-F129 AromaticContact CE1-CD1 3.53Å; Y90-F129 HydrophobicContact CE1-CD1 3.53Å; Y90-F129 HydrophobicContact CE1-CE1 4.23Å; Y90-F129 HydrophobicContact CE1-CG 4.09Å; Y90-F129 HydrophobicContact CG-CD1 4.38Å; Y90-F129 HydrophobicContact CG-CE1 4.48Å; Y90-S131 WeakPolarHBondContact OH-CB 3.32Å; Y90-S131 PolarHBondContact OH-OG 2.91Å; Y90-L142 HydrophobicContact CD2-CD1 4.16Å; Y90-L142 HydrophobicContact CD2-CD2 4.3Å; Y90-L142 HydrophobicContact CG-CD1 4Å
91	R	95.4	Very high	94.7	Very high	19 Å²	19	33.2 Å²	33.2	7%	0.072	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	162.8	-172.5	54.6	179.7	-86.9	152.7	-1	109.8	E36 V64 L93 Y109 F113	E36-R91 IonicContact OE1-NH2 2.72Å; V64-R91 HydrophobicContact CG1-CB 4.45Å; V64-R91 HydrophobicContact CG2-CB 4.07Å; R91-L93 PolarHBondContact O-N 3.07Å; R91-Y109 VanDerWaalsContact O-CE2 3.3Å; R91-Y109 WeakPolarHBondContact O-CE2 3.43Å; R91-Y109 PolarHBondContact O-OH 2.84Å; R91-F113 HydrophobicContact CG-CD1 4.26Å; R91-F113 HydrophobicContact CG-CE1 3.72Å; R91-F113 HydrophobicContact CG-CE2 4.36Å; R91-F113 HydrophobicContact CG-CZ 3.78Å; R91-F113 VanDerWaalsContact NE-CE1 3.35Å
92	H	95.3	Very high	94.8	Very high	14 Å²	14	37.4 Å²	37.4	7%	0.065	19%	0.186	C	C	.	.			trans	59	24.1	178.9	-67.2	-103.1	0	0	0	115.2	E36 Q94 S95 F113 S228 F266	E36-H92 WeakPolarHBondContact CG-NE2 3.18Å; E36-H92 IonicContact OE1-NE2 2.7Å; E36-H92 PolarHBondContact OE1-NE2 2.97Å; E36-H92 VanDerWaalsContact OE1-NE2 3.1Å; H92-Q94 PolarHBondContact O-N 2.77Å; H92-S95 PolarHBondContact O-N 2.9Å; H92-S95 PolarHBondContact O-OG 3.15Å; H92-F113 HydrophobicContact CB-CE2 4.01Å; H92-F113 HydrophobicContact CB-CZ 4.35Å; H92-F113 AromaticContact CD2-CZ 3.88Å; H92-S228 PolarHBondContact CE1-OG 3.18Å; H92-F266 WeakPolarHBondContact CE1-CB 3.21Å; H92-F266 AromaticContact CE1-CD1 3.54Å; H92-F266 AromaticContact CE1-CD2 3.7Å; H92-F266 AromaticContact CE1-CG 3.15Å; H92-F266 WeakPolarHBondContact CE1-CG 3.26Å; H92-F266 AromaticContact ND1-CD1 3.83Å; H92-F266 AromaticContact NE2-CD2 3.9Å
93	L	95.1	Very high	94.9	Very high	5 Å²	5	37.4 Å²	37.4	3%	0.026	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-54.8	-27	-173.9	-66.1	170.5	0	0	0	115.1	R91 S95 L96 F129 L142	R91-L93 PolarHBondContact O-N 3.07Å; L93-S95 PolarHBondContact O-N 2.97Å; L93-L96 PolarHBondContact O-N 2.9Å; L93-F129 HydrophobicContact CD2-CE2 3.6Å; L93-F129 HydrophobicContact CD2-CZ 3.55Å; L93-L142 HydrophobicContact CD1-CB 3.59Å; L93-L142 HydrophobicContact CD1-CD1 4.39Å; L93-L142 HydrophobicContact CD2-CB 4.37Å; L93-L142 HydrophobicContact CD2-CD1 3.79Å
94	Q	94.4	Very high	95.1	Very high	17 Å²	17	39.8 Å²	39.8	8%	0.079	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-55.7	-34.3	-177.5	-67.6	178.1	-4.1	0	0	113.6	L33 G34 S35 H92 L96 L97 F173	L33-Q94 VanDerWaalsContact CD1-NE2 3.28Å; L33-Q94 VanDerWaalsContact CG-NE2 3.34Å; L33-Q94 PolarHBondContact O-NE2 3.1Å; G34-Q94 PolarHBondContact O-NE2 2.93Å; S35-Q94 VanDerWaalsContact CA-CD 3.48Å; H92-Q94 PolarHBondContact O-N 2.77Å; Q94-L96 PolarHBondContact O-N 3.2Å; Q94-L97 HydrophobicContact CB-CD1 4.37Å; Q94-L97 HydrophobicContact CG-CD1 4.44Å; Q94-L97 PolarHBondContact O-N 3Å; Q94-F173 HydrophobicContact CB-CZ 4.44Å
95	S	93.3	Very high	95.2	Very high	28 Å²	28	33.9 Å²	33.9	20%	0.196	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-62.9	-19.3	178.5	58.2	0	0	0	0	113.6	H92 L93 Q105	H92-S95 PolarHBondContact O-N 2.9Å; H92-S95 PolarHBondContact O-OG 3.15Å; L93-S95 PolarHBondContact O-N 2.97Å; S95-Q105 WeakPolarHBondContact O-CG 3.21Å
96	L	96.9	Very high	95.4	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-100.2	-10.4	-177.9	-56.5	176.2	0	0	0	113.6	L93 Q94 G98 K99 V106 Y109 V127 F129 P139	L93-L96 PolarHBondContact O-N 2.9Å; Q94-L96 PolarHBondContact O-N 3.2Å; L96-G98 PolarHBondContact O-N 3.26Å; L96-K99 PolarHBondContact O-N 3.37Å; L96-V106 HydrophobicContact CD2-CB 4.23Å; L96-V106 HydrophobicContact CD2-CG1 4.17Å; L96-V106 HydrophobicContact CD2-CG2 4.01Å; L96-Y109 HydrophobicContact CD1-CD1 4.17Å; L96-Y109 HydrophobicContact CD1-CD2 3.78Å; L96-Y109 HydrophobicContact CD1-CE1 4.29Å; L96-Y109 HydrophobicContact CD1-CE2 3.87Å; L96-Y109 HydrophobicContact CD1-CG 3.95Å; L96-Y109 HydrophobicContact CD2-CD2 4.15Å; L96-Y109 HydrophobicContact CD2-CG 3.91Å; L96-Y109 HydrophobicContact CG-CD2 3.9Å; L96-Y109 HydrophobicContact CG-CE2 4.4Å; L96-Y109 HydrophobicContact CG-CG 4.13Å; L96-V127 HydrophobicContact CD1-CG1 4.38Å; L96-V127 HydrophobicContact CD2-CG2 4.45Å; L96-F129 HydrophobicContact CD1-CE1 4.48Å; L96-F129 HydrophobicContact CD1-CE2 3.73Å; L96-F129 HydrophobicContact CD1-CZ 3.44Å; L96-F129 VanDerWaalsContact CD1-CZ 3.44Å; L96-P139 HydrophobicContact CB-CB 4Å; L96-P139 HydrophobicContact CB-CG 3.57Å; L96-P139 HydrophobicContact CD1-CG 4.32Å
97	L	96.8	Very high	95.5	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	129.4	-179	-65.2	172	0	0	0	110.4	Q94 K99 P139 E140 L143 F173 A180 V181	Q94-L97 HydrophobicContact CB-CD1 4.37Å; Q94-L97 HydrophobicContact CG-CD1 4.44Å; Q94-L97 PolarHBondContact O-N 3Å; L97-K99 PolarHBondContact O-N 2.9Å; L97-P139 HydrophobicContact CD2-CB 4.08Å; L97-E140 HydrophobicContact CD2-CG 4.39Å; L97-L143 HydrophobicContact CD1-CD2 3.9Å; L97-L143 HydrophobicContact CD2-CD2 3.95Å; L97-F173 HydrophobicContact CD1-CE2 4.13Å; L97-F173 HydrophobicContact CD1-CZ 4.35Å; L97-A180 HydrophobicContact CB-CB 3.92Å; L97-A180 HydrophobicContact CD2-CB 4.21Å; L97-V181 HydrophobicContact CD1-CG2 3.86Å
98	G	95.2	Very high	95.5	Very high	6 Å²	6	32.6 Å²	32.6	6%	0.062	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	22.8	179.4	0	0	0	0	0	114.6	L96 I682	L96-G98 PolarHBondContact O-N 3.26Å; G98-I682 WeakPolarHBondContact O-CG1 3.4Å
99	K	96.2	Very high	95.7	Very high	1 Å²	1	31.2 Å²	31.2	0%	0.004	16%	0.156	C	C	.	.			trans	-107.2	138.5	176.8	-55.9	-57.8	171.7	179.4	0	112	L96 L97 N103 V106 T126 E177 V501 F502	L96-K99 PolarHBondContact O-N 3.37Å; L97-K99 PolarHBondContact O-N 2.9Å; K99-N103 HydrophobicContact CB-CB 4.4Å; K99-V106 HydrophobicContact CB-CG2 4.12Å; K99-T126 WeakPolarHBondContact O-CA 3.49Å; K99-E177 WeakPolarHBondContact CE-OE1 3.29Å; K99-E177 IonicContact NZ-OE1 2.72Å; K99-E177 PolarHBondContact NZ-OE1 2.7Å; K99-V501 PolarHBondContact NZ-O 3.47Å; K99-F502 PolarHBondContact NZ-O 2.84Å
100	K	95.8	Very high	95.7	Very high	82 Å²	82	34 Å²	34	36%	0.357	17%	0.169	S	C	.	.	B	Isolated β-bridge	trans	-73	149.3	164.8	-62.3	-171.3	-178.5	174.3	0	109.9	D102 N103 V106 G125 D681 I682	K100-D102 WeakPolarHBondContact CB-OD1 3.48Å; K100-D102 PolarHBondContact O-N 3.27Å; K100-D102 VanDerWaalsContact O-N 3.14Å; K100-N103 WeakPolarHBondContact O-CB 3.33Å; K100-N103 PolarHBondContact O-N 2.97Å; K100-N103 VanDerWaalsContact O-N 3.08Å; K100-V106 WeakPolarHBondContact O-CG2 3.47Å; K100-G125 CarbonylContact C-O 3.54Å; K100-G125 VanDerWaalsContact CA-O 3.23Å; K100-G125 WeakPolarHBondContact CA-O 3.36Å; K100-D681 WeakPolarHBondContact CE-O 3.49Å; K100-D681 PolarHBondContact NZ-O 2.88Å; K100-D681 VanDerWaalsContact NZ-O 3.11Å; K100-I682 HydrophobicContact CD-CD1 4.34Å; K100-I682 HydrophobicContact CG-CD1 3.49Å; K100-I682 VanDerWaalsContact CG-CD1 3.49Å
101	H	96.6	Very high	95.7	Very high	72 Å²	72	41 Å²	41	33%	0.333	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-24.7	-174.3	177.1	-97.2	0	0	0	114.4	Q119 G125	H101-Q119 PolarHBondContact CD2-O 3.02Å; H101-Q119 VanDerWaalsContact CD2-O 3.25Å; H101-Q119 WeakPolarHBondContact NE2-CA 3.35Å; H101-G125 PolarHBondContact N-O 3.16Å
102	D	95.3	Very high	95.7	Very high	114 Å²	114	41.8 Å²	41.8	61%	0.61	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-14	178.8	62.1	-22.9	0	0	0	114.7	K100 K107	K100-D102 WeakPolarHBondContact CB-OD1 3.48Å; K100-D102 PolarHBondContact O-N 3.27Å; K100-D102 VanDerWaalsContact O-N 3.14Å; D102-K107 VanDerWaalsContact O-CE 3.26Å; D102-K107 WeakPolarHBondContact O-CE 3.35Å; D102-K107 PolarHBondContact O-NZ 3.11Å
103	N	96.3	Very high	95.6	Very high	20 Å²	20	41.3 Å²	41.3	11%	0.107	20%	0.196	C	C	.	.	S	Bend	trans	-60.3	142.6	-179.2	-177.9	-69.9	0	0	0	111.8	K99 K100 Q105 V106 V501	K99-N103 HydrophobicContact CB-CB 4.4Å; K100-N103 WeakPolarHBondContact O-CB 3.33Å; K100-N103 PolarHBondContact O-N 2.97Å; K100-N103 VanDerWaalsContact O-N 3.08Å; N103-Q105 PolarHBondContact O-N 3.14Å; N103-Q105 WeakPolarHBondContact OD1-CB 3.43Å; N103-Q105 PolarHBondContact OD1-N 3.14Å; N103-V106 HydrophobicContact CB-CG2 4.34Å; N103-V106 WeakPolarHBondContact O-CB 3.5Å; N103-V106 PolarHBondContact O-N 3Å; N103-V501 PolarHBondContact ND2-O 3.17Å
104	L	95.9	Very high	95.6	Very high	73 Å²	73	44.5 Å²	44.5	38%	0.382	22%	0.217	S	C	.	.	H	α-helix	trans	-62.3	-27.7	-175.2	-57.6	-168.2	0	0	0	113.3	V106 K107 V108 V501	L104-V106 PolarHBondContact O-N 2.9Å; L104-K107 HydrophobicContact CD2-CD 3.84Å; L104-K107 WeakPolarHBondContact O-CB 3.29Å; L104-K107 PolarHBondContact O-N 3.45Å; L104-K107 VanDerWaalsContact O-N 3.07Å; L104-V108 WeakPolarHBondContact O-CG2 3.39Å; L104-V108 PolarHBondContact O-N 3.28Å; L104-V501 HydrophobicContact CB-CG1 4.23Å
105	Q	95	Very high	95.6	Very high	24 Å²	24	45 Å²	45	11%	0.112	22%	0.22	C	C	.	.	H	α-helix	trans	-61.5	-32.4	175.5	-166.9	63.6	76.5	0	0	112.7	S95 N103 V108 Y109 V501	S95-Q105 WeakPolarHBondContact O-CG 3.21Å; N103-Q105 PolarHBondContact O-N 3.14Å; N103-Q105 WeakPolarHBondContact OD1-CB 3.43Å; N103-Q105 PolarHBondContact OD1-N 3.14Å; Q105-V108 PolarHBondContact O-N 3.27Å; Q105-Y109 PolarHBondContact O-N 2.97Å; Q105-V501 HydrophobicContact CB-CB 4.13Å; Q105-V501 HydrophobicContact CB-CG1 4.07Å
106	V	96.9	Very high	95.6	Very high	5 Å²	5	44 Å²	44	3%	0.03	21%	0.211	C	C	.	.	H	α-helix	trans	-70.7	-37.7	175.4	-171.7	0	0	0	0	110.4	L96 K99 K100 N103 L104 Y109 Q110 L118 V127	L96-V106 HydrophobicContact CD2-CB 4.23Å; L96-V106 HydrophobicContact CD2-CG1 4.17Å; L96-V106 HydrophobicContact CD2-CG2 4.01Å; K99-V106 HydrophobicContact CB-CG2 4.12Å; K100-V106 WeakPolarHBondContact O-CG2 3.47Å; N103-V106 HydrophobicContact CB-CG2 4.34Å; N103-V106 WeakPolarHBondContact O-CB 3.5Å; N103-V106 PolarHBondContact O-N 3Å; L104-V106 PolarHBondContact O-N 2.9Å; V106-Y109 WeakPolarHBondContact O-CB 3.43Å; V106-Y109 PolarHBondContact O-N 3.1Å; V106-Q110 WeakPolarHBondContact O-CB 3.43Å; V106-Q110 PolarHBondContact O-N 2.96Å; V106-L118 HydrophobicContact CG1-CD1 3.68Å; V106-V127 HydrophobicContact CB-CG2 4.41Å; V106-V127 HydrophobicContact CG1-CG2 3.81Å; V106-V127 HydrophobicContact CG2-CG2 3.62Å
107	K	95.7	Very high	95.4	Very high	122 Å²	122	49.9 Å²	49.9	53%	0.53	24%	0.239	S	C	.	.	H	α-helix	trans	-67.6	-37.6	174.1	-54.6	178.2	-168.2	167.8	0	111.6	D102 L104 Q110 R111	D102-K107 VanDerWaalsContact O-CE 3.26Å; D102-K107 WeakPolarHBondContact O-CE 3.35Å; D102-K107 PolarHBondContact O-NZ 3.11Å; L104-K107 HydrophobicContact CD2-CD 3.84Å; L104-K107 WeakPolarHBondContact O-CB 3.29Å; L104-K107 PolarHBondContact O-N 3.45Å; L104-K107 VanDerWaalsContact O-N 3.07Å; K107-Q110 PolarHBondContact O-N 3.36Å; K107-R111 PolarHBondContact O-N 3.23Å
108	V	95.4	Very high	95.3	Very high	42 Å²	42	51.1 Å²	51.1	26%	0.255	25%	0.246	S	C	.	.	H	α-helix	trans	-63.5	-44.2	172.4	170.2	0	0	0	0	111	L104 Q105 Q110 R111 Y112	L104-V108 WeakPolarHBondContact O-CG2 3.39Å; L104-V108 PolarHBondContact O-N 3.28Å; Q105-V108 PolarHBondContact O-N 3.27Å; V108-Q110 PolarHBondContact O-N 2.97Å; V108-R111 WeakPolarHBondContact O-CB 3.48Å; V108-R111 PolarHBondContact O-N 3.33Å; V108-Y112 HydrophobicContact CG1-CD2 4.15Å; V108-Y112 HydrophobicContact CG1-CE2 3.37Å; V108-Y112 WeakPolarHBondContact O-CD2 3.48Å; V108-Y112 PolarHBondContact O-N 3.04Å
109	Y	96.8	Very high	95.3	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.008	26%	0.257	C	S	.	.	H	α-helix	trans	-58.8	-47	172.1	-177.7	-78.7	0	0	0	111.7	R91 L96 Q105 V106 R111 Y112 F113 H116 L118 F129	R91-Y109 VanDerWaalsContact O-CE2 3.3Å; R91-Y109 WeakPolarHBondContact O-CE2 3.43Å; R91-Y109 PolarHBondContact O-OH 2.84Å; L96-Y109 HydrophobicContact CD1-CD1 4.17Å; L96-Y109 HydrophobicContact CD1-CD2 3.78Å; L96-Y109 HydrophobicContact CD1-CE1 4.29Å; L96-Y109 HydrophobicContact CD1-CE2 3.87Å; L96-Y109 HydrophobicContact CD1-CG 3.95Å; L96-Y109 HydrophobicContact CD2-CD2 4.15Å; L96-Y109 HydrophobicContact CD2-CG 3.91Å; L96-Y109 HydrophobicContact CG-CD2 3.9Å; L96-Y109 HydrophobicContact CG-CE2 4.4Å; L96-Y109 HydrophobicContact CG-CG 4.13Å; Q105-Y109 PolarHBondContact O-N 2.97Å; V106-Y109 WeakPolarHBondContact O-CB 3.43Å; V106-Y109 PolarHBondContact O-N 3.1Å; Y109-R111 VanDerWaalsContact C-N 3.26Å; Y109-R111 PolarHBondContact O-N 2.86Å; Y109-Y112 PolarHBondContact O-N 3.11Å; Y109-F113 HydrophobicContact CD1-CD2 4.23Å; Y109-F113 HydrophobicContact CD2-CD2 4.07Å; Y109-F113 HydrophobicContact CD2-CE2 4.36Å; Y109-F113 HydrophobicContact CE1-CB 4.07Å; Y109-F113 AromaticContact CE1-CD2 3.86Å; Y109-F113 HydrophobicContact CE1-CD2 3.86Å; Y109-F113 HydrophobicContact CE1-CG 4.4Å; Y109-F113 AromaticContact CE2-CD2 3.72Å; Y109-F113 HydrophobicContact CE2-CD2 3.72Å; Y109-F113 HydrophobicContact CE2-CE2 4.05Å; Y109-F113 HydrophobicContact CG-CD2 4.3Å; Y109-F113 AromaticContact CZ-CD2 3.57Å; Y109-F113 PolarHBondContact O-N 3.15Å; Y109-H116 HydrophobicContact CE1-CB 4.43Å; Y109-H116 AromaticContact CE1-ND1 3.59Å; Y109-H116 AromaticContact CZ-ND1 3.66Å; Y109-H116 PolarHBondContact OH-CE1 2.8Å; Y109-H116 PolarHBondContact OH-ND1 3.11Å; Y109-L118 HydrophobicContact CD1-CD1 3.99Å; Y109-L118 HydrophobicContact CE1-CD1 4.48Å; Y109-F129 AromaticContact CE1-CE1 3.87Å; Y109-F129 HydrophobicContact CE1-CE1 3.87Å; Y109-F129 HydrophobicContact CE1-CZ 4.1Å; Y109-F129 HydrophobicContact CE2-CZ 4.46Å; Y109-F129 AromaticContact CZ-CE1 3.85Å; Y109-F129 AromaticContact CZ-CZ 3.8Å; Y109-F129 WeakPolarHBondContact OH-CE1 3.35Å
110	Q	95.9	Very high	95.2	Very high	62 Å²	62	55.2 Å²	55.2	29%	0.29	27%	0.272	S	S	.	.	H	α-helix	trans	-63.6	-29.5	179.4	-165.2	69.5	57.7	0	0	112.7	V106 K107 V108 Y112 P114 H116	V106-Q110 WeakPolarHBondContact O-CB 3.43Å; V106-Q110 PolarHBondContact O-N 2.96Å; K107-Q110 PolarHBondContact O-N 3.36Å; V108-Q110 PolarHBondContact O-N 2.97Å; Q110-Y112 VanDerWaalsContact C-N 3.33Å; Q110-P114 WeakPolarHBondContact O-CA 3.46Å; Q110-H116 PolarHBondContact NE2-O 3.33Å
111	R	95.2	Very high	95.1	Very high	150 Å²	150	51.7 Å²	51.7	57%	0.566	26%	0.257	S	S	*	.	H	α-helix	trans	-65	-35.3	170.3	-174.9	-179.3	81.2	152.3	5	112	K107 V108 Y109 E267	K107-R111 PolarHBondContact O-N 3.23Å; V108-R111 WeakPolarHBondContact O-CB 3.48Å; V108-R111 PolarHBondContact O-N 3.33Å; Y109-R111 VanDerWaalsContact C-N 3.26Å; Y109-R111 PolarHBondContact O-N 2.86Å; R111-E267 IonicContact NH2-OE1 3.05Å; R111-E267 IonicContact NH2-OE2 3.12Å
112	Y	94.8	Very high	94.9	Very high	36 Å²	36	53.9 Å²	53.9	14%	0.141	28%	0.277	C	S	.	.	H	α-helix	trans	-82.5	-36.6	-178.1	-59.3	-27.6	0	0	0	113.2	V108 Y109 Q110 P114 F266 E267 L270	V108-Y112 HydrophobicContact CG1-CD2 4.15Å; V108-Y112 HydrophobicContact CG1-CE2 3.37Å; V108-Y112 WeakPolarHBondContact O-CD2 3.48Å; V108-Y112 PolarHBondContact O-N 3.04Å; Y109-Y112 PolarHBondContact O-N 3.11Å; Q110-Y112 VanDerWaalsContact C-N 3.33Å; Y112-P114 VanDerWaalsContact C-CD 3.48Å; Y112-F266 HydrophobicContact CD2-CE1 4.01Å; Y112-F266 HydrophobicContact CG-CE1 4.13Å; Y112-E267 PolarHBondContact OH-OE2 3.14Å; Y112-L270 HydrophobicContact CD1-CD1 3.26Å; Y112-L270 HydrophobicContact CD2-CD1 4.42Å; Y112-L270 HydrophobicContact CE1-CD1 3.31Å; Y112-L270 HydrophobicContact CE2-CD1 4.47Å; Y112-L270 HydrophobicContact CG-CD1 3.87Å
113	F	95.2	Very high	94.7	Very high	4 Å²	4	53.5 Å²	53.5	2%	0.018	28%	0.279	C	S	.	.			trans	-128.1	65.1	-177	-49.9	-68	0	0	0	111.7	R91 H92 Y109 E115 H116 F266	R91-F113 HydrophobicContact CG-CD1 4.26Å; R91-F113 HydrophobicContact CG-CE1 3.72Å; R91-F113 HydrophobicContact CG-CE2 4.36Å; R91-F113 HydrophobicContact CG-CZ 3.78Å; R91-F113 VanDerWaalsContact NE-CE1 3.35Å; H92-F113 HydrophobicContact CB-CE2 4.01Å; H92-F113 HydrophobicContact CB-CZ 4.35Å; H92-F113 AromaticContact CD2-CZ 3.88Å; Y109-F113 HydrophobicContact CD1-CD2 4.23Å; Y109-F113 HydrophobicContact CD2-CD2 4.07Å; Y109-F113 HydrophobicContact CD2-CE2 4.36Å; Y109-F113 HydrophobicContact CE1-CB 4.07Å; Y109-F113 AromaticContact CE1-CD2 3.86Å; Y109-F113 HydrophobicContact CE1-CD2 3.86Å; Y109-F113 HydrophobicContact CE1-CG 4.4Å; Y109-F113 AromaticContact CE2-CD2 3.72Å; Y109-F113 HydrophobicContact CE2-CD2 3.72Å; Y109-F113 HydrophobicContact CE2-CE2 4.05Å; Y109-F113 HydrophobicContact CG-CD2 4.3Å; Y109-F113 AromaticContact CZ-CD2 3.57Å; Y109-F113 PolarHBondContact O-N 3.15Å; F113-E115 PolarHBondContact O-N 3.14Å; F113-H116 WeakPolarHBondContact CB-ND1 3.48Å; F113-H116 AromaticContact CG-CE1 3.82Å; F113-H116 PolarHBondContact O-N 3.32Å; F113-F266 AromaticContact CE1-CZ 3.96Å; F113-F266 HydrophobicContact CE1-CZ 3.96Å; F113-F266 HydrophobicContact CE2-CE1 4.31Å; F113-F266 HydrophobicContact CE2-CZ 4.43Å; F113-F266 AromaticContact CZ-CE1 3.75Å; F113-F266 HydrophobicContact CZ-CE1 3.75Å; F113-F266 AromaticContact CZ-CZ 3.48Å; F113-F266 HydrophobicContact CZ-CZ 3.48Å; F113-F266 VanDerWaalsContact CZ-CZ 3.48Å
114	P	94.6	Very high	94.5	Very high	72 Å²	72	53.8 Å²	53.8	47%	0.468	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-14.7	-177.4	27.2	-36	0	0	0	113.9	Q110 Y112 H116	Q110-P114 WeakPolarHBondContact O-CA 3.46Å; Y112-P114 VanDerWaalsContact C-CD 3.48Å; P114-H116 VanDerWaalsContact C-N 3.33Å
115	E	93.6	Very high	94.4	Very high	29 Å²	29	51.7 Å²	51.7	14%	0.136	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-26.5	169.9	48.1	-95.3	-144.7	0	0	115	P86 K87 F113 H294	P86-E115 HydrophobicContact CB-CG 4.15Å; K87-E115 HydrophobicContact CG-CB 3.79Å; F113-E115 PolarHBondContact O-N 3.14Å; E115-H294 VanDerWaalsContact CA-CE1 3.5Å; E115-H294 WeakPolarHBondContact CA-CE1 3.4Å; E115-H294 HydrophobicContact CB-CB 4.41Å; E115-H294 WeakPolarHBondContact CB-ND1 3.39Å; E115-H294 PolarHBondContact N-CE1 2.85Å; E115-H294 IonicContact OE2-CE1 3.97Å; E115-H294 IonicContact OE2-CG 2.64Å; E115-H294 IonicContact OE2-ND1 3.98Å; E115-H294 PolarHBondContact OE2-ND1 2.94Å
116	H	94.4	Very high	94.5	Very high	5 Å²	5	50.7 Å²	50.7	2%	0.023	27%	0.27	C	S	.	.	S	Bend	trans	-83.4	138.5	-176.9	-63.1	155.4	0	0	0	110.9	P86 V89 Y90 Y109 Q110 F113 P114 F129	P86-H116 PolarHBondContact O-NE2 3.47Å; V89-H116 PolarHBondContact N-NE2 2.92Å; V89-H116 PolarHBondContact O-CE1 2.73Å; V89-H116 PolarHBondContact O-NE2 3.05Å; Y90-H116 VanDerWaalsContact CA-CE1 3.46Å; Y90-H116 WeakPolarHBondContact CA-CE1 3.36Å; Y90-H116 AromaticContact CD1-CD2 3.96Å; Y109-H116 HydrophobicContact CE1-CB 4.43Å; Y109-H116 AromaticContact CE1-ND1 3.59Å; Y109-H116 AromaticContact CZ-ND1 3.66Å; Y109-H116 PolarHBondContact OH-CE1 2.8Å; Y109-H116 PolarHBondContact OH-ND1 3.11Å; Q110-H116 PolarHBondContact NE2-O 3.33Å; F113-H116 WeakPolarHBondContact CB-ND1 3.48Å; F113-H116 AromaticContact CG-CE1 3.82Å; F113-H116 PolarHBondContact O-N 3.32Å; P114-H116 VanDerWaalsContact C-N 3.33Å; H116-F129 HydrophobicContact CB-CD1 4.33Å; H116-F129 HydrophobicContact CB-CE1 4.27Å; H116-F129 AromaticContact ND1-CE1 3.99Å
117	Q	92.4	Very high	94.4	Very high	125 Å²	125	50.5 Å²	50.5	58%	0.584	27%	0.269	S	S	*	.			trans	-98.7	111	176.4	-69.3	-176	-6.7	0	0	109.3	N130	Q117-N130 HydrophobicContact CB-CB 4.04Å; Q117-N130 PolarHBondContact O-N 2.95Å
118	L	94.6	Very high	94.4	Very high	27 Å²	27	47.3 Å²	47.3	14%	0.141	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	147.2	176.9	-59.5	-173.3	0	0	0	111.3	V106 Y109 V127 Y128 F129	V106-L118 HydrophobicContact CG1-CD1 3.68Å; Y109-L118 HydrophobicContact CD1-CD1 3.99Å; Y109-L118 HydrophobicContact CE1-CD1 4.48Å; L118-V127 HydrophobicContact CB-CG1 4.37Å; L118-V127 HydrophobicContact CD1-CG1 4.08Å; L118-V127 HydrophobicContact CD2-CG1 3.76Å; L118-V127 HydrophobicContact CG-CG1 4.29Å; L118-Y128 WeakPolarHBondContact CA-O 3.15Å; L118-F129 HydrophobicContact CD2-CD1 3.43Å; L118-F129 VanDerWaalsContact CD2-CD1 3.43Å; L118-F129 HydrophobicContact CD2-CD2 4.31Å; L118-F129 HydrophobicContact CD2-CE1 3.55Å; L118-F129 HydrophobicContact CD2-CE2 4.39Å; L118-F129 HydrophobicContact CD2-CG 3.85Å; L118-F129 HydrophobicContact CD2-CZ 4.05Å
119	Q	94.3	Very high	94.3	Very high	63 Å²	63	45.3 Å²	45.3	29%	0.294	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	168.6	170	69.8	-176.3	45.8	0	0	110.9	H101 Y128 Y136	H101-Q119 PolarHBondContact CD2-O 3.02Å; H101-Q119 VanDerWaalsContact CD2-O 3.25Å; H101-Q119 WeakPolarHBondContact NE2-CA 3.35Å; Q119-Y128 PolarHBondContact N-O 3.01Å; Q119-Y128 PolarHBondContact O-N 2.97Å; Q119-Y136 VanDerWaalsContact CD-CE1 3.44Å; Q119-Y136 HydrophobicContact CG-CD1 4.48Å; Q119-Y136 VanDerWaalsContact NE2-CD1 3.32Å
120	G	95.3	Very high	94	Very high	31 Å²	31	47.1 Å²	47.1	32%	0.32	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	139.5	171.9	0	0	0	0	0	112.7	T126	G120-T126 CarbonylContact C-O 3.59Å; G120-T126 WeakPolarHBondContact CA-O 3.4Å
121	D	94.1	Very high	93.3	Very high	8 Å²	8	45.8 Å²	45.8	4%	0.043	25%	0.249	C	C	.	.			trans	-63.4	121.9	159.4	179.7	-39.4	0	0	0	108.5	V123 R124 G125 T126 Y128	D121-V123 PolarHBondContact O-N 2.89Å; D121-V123 WeakPolarHBondContact OD1-CA 3.3Å; D121-V123 PolarHBondContact OD1-N 3.08Å; D121-R124 HydrophobicContact CB-CB 4.36Å; D121-R124 PolarHBondContact OD1-N 2.75Å; D121-G125 VanDerWaalsContact O-CA 3.23Å; D121-G125 WeakPolarHBondContact O-CA 3.33Å; D121-G125 PolarHBondContact O-N 2.84Å; D121-T126 WeakPolarHBondContact CB-O 3.5Å; D121-T126 WeakPolarHBondContact CB-OG1 3.28Å; D121-T126 PolarHBondContact N-O 2.8Å; D121-T126 PolarHBondContact OD2-OG1 2.86Å; D121-Y128 HydrophobicContact CB-CD2 4.13Å; D121-Y128 HydrophobicContact CB-CE1 4.29Å; D121-Y128 HydrophobicContact CB-CE2 3.84Å; D121-Y128 HydrophobicContact CB-CG 4.49Å; D121-Y128 PolarHBondContact OD2-OH 2.88Å; D121-Y128 VanDerWaalsContact OD2-OH 3.05Å
122	P	91.6	Very high	92.5	Very high	117 Å²	117	41.2 Å²	41.2	76%	0.76	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73	-10.1	-174.3	30.8	-35.9	0	0	0	114
123	V	90.9	Very high	91.3	Very high	106 Å²	106	47.1 Å²	47.1	64%	0.642	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	-52.8	178.8	-178	0	0	0	0	110.6	D121	D121-V123 PolarHBondContact O-N 2.89Å; D121-V123 WeakPolarHBondContact OD1-CA 3.3Å; D121-V123 PolarHBondContact OD1-N 3.08Å
124	R	92.6	Very high	90.4	Very high	26 Å²	26	55.2 Å²	55.2	10%	0.098	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-17.9	-174.6	-60.9	174.1	67	-138.9	4.8	113.8	D121 T126 E140 M683	D121-R124 HydrophobicContact CB-CB 4.36Å; D121-R124 PolarHBondContact OD1-N 2.75Å; R124-T126 HydrophobicContact CB-CG2 4.18Å; R124-T126 WeakPolarHBondContact CB-OG1 3.46Å; R124-T126 PolarHBondContact NH1-OG1 3.29Å; R124-T126 PolarHBondContact O-N 3.33Å; R124-E140 IonicContact CZ-OE1 2.71Å; R124-E140 VanDerWaalsContact CZ-OE1 3.31Å; R124-E140 IonicContact NH1-OE1 2.65Å; R124-E140 PolarHBondContact NH1-OE1 2.92Å; R124-E140 IonicContact NH2-OE1 2.74Å; R124-E140 PolarHBondContact NH2-OE1 3.27Å; R124-M683 PolarHBondContact NE-O 3.36Å; R124-M683 PolarHBondContact NH2-O 3.48Å
125	G	94.1	Very high	90	Very high	30 Å²	30	54.1 Å²	54.1	31%	0.309	30%	0.303	S	S	.	.			trans	70.5	3.4	-172.5	0	0	0	0	0	114.7	K100 H101 D121	K100-G125 CarbonylContact C-O 3.54Å; K100-G125 VanDerWaalsContact CA-O 3.23Å; K100-G125 WeakPolarHBondContact CA-O 3.36Å; H101-G125 PolarHBondContact N-O 3.16Å; D121-G125 VanDerWaalsContact O-CA 3.23Å; D121-G125 WeakPolarHBondContact O-CA 3.33Å; D121-G125 PolarHBondContact O-N 2.84Å
126	T	95.4	Very high	89.9	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.012	31%	0.311	C	S	.	.	B	Isolated β-bridge	trans	-71.8	178.1	176.4	44.6	0	0	0	0	112.5	K99 G120 D121 R124 I682	K99-T126 WeakPolarHBondContact O-CA 3.49Å; G120-T126 CarbonylContact C-O 3.59Å; G120-T126 WeakPolarHBondContact CA-O 3.4Å; D121-T126 WeakPolarHBondContact CB-O 3.5Å; D121-T126 WeakPolarHBondContact CB-OG1 3.28Å; D121-T126 PolarHBondContact N-O 2.8Å; D121-T126 PolarHBondContact OD2-OG1 2.86Å; R124-T126 HydrophobicContact CB-CG2 4.18Å; R124-T126 WeakPolarHBondContact CB-OG1 3.46Å; R124-T126 PolarHBondContact NH1-OG1 3.29Å; R124-T126 PolarHBondContact O-N 3.33Å; T126-I682 HydrophobicContact CG2-CD1 4.25Å; T126-I682 HydrophobicContact CG2-CG2 3.7Å
127	V	95.8	Very high	89.9	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.006	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	139.3	179.3	-178.7	0	0	0	0	111.6	L96 V106 L118 P139	L96-V127 HydrophobicContact CD1-CG1 4.38Å; L96-V127 HydrophobicContact CD2-CG2 4.45Å; V106-V127 HydrophobicContact CB-CG2 4.41Å; V106-V127 HydrophobicContact CG1-CG2 3.81Å; V106-V127 HydrophobicContact CG2-CG2 3.62Å; L118-V127 HydrophobicContact CB-CG1 4.37Å; L118-V127 HydrophobicContact CD1-CG1 4.08Å; L118-V127 HydrophobicContact CD2-CG1 3.76Å; L118-V127 HydrophobicContact CG-CG1 4.29Å; V127-P139 HydrophobicContact CB-CG 4.13Å; V127-P139 WeakPolarHBondContact O-CD 3.36Å
128	Y	95.1	Very high	90.1	Very high	56 Å²	56	51.1 Å²	51.1	22%	0.22	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	137.4	159.9	-76.9	-30.3	0	0	0	111	L118 Q119 D121 Y137	L118-Y128 WeakPolarHBondContact CA-O 3.15Å; Q119-Y128 PolarHBondContact N-O 3.01Å; Q119-Y128 PolarHBondContact O-N 2.97Å; D121-Y128 HydrophobicContact CB-CD2 4.13Å; D121-Y128 HydrophobicContact CB-CE1 4.29Å; D121-Y128 HydrophobicContact CB-CE2 3.84Å; D121-Y128 HydrophobicContact CB-CG 4.49Å; D121-Y128 PolarHBondContact OD2-OH 2.88Å; D121-Y128 VanDerWaalsContact OD2-OH 3.05Å; Y128-Y137 WeakPolarHBondContact CA-O 3.48Å
129	F	94.7	Very high	90.3	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	127.3	163.2	-69.4	-91.6	0	0	0	110	Y90 L93 L96 Y109 H116 L118 Y136 Y137 P139 L142	Y90-F129 AromaticContact CD1-CD1 3.37Å; Y90-F129 HydrophobicContact CD1-CD1 3.37Å; Y90-F129 AromaticContact CD1-CE1 3.62Å; Y90-F129 HydrophobicContact CD1-CE1 3.62Å; Y90-F129 HydrophobicContact CD1-CG 4.06Å; Y90-F129 HydrophobicContact CD1-CZ 4.47Å; Y90-F129 HydrophobicContact CE1-CB 4.12Å; Y90-F129 AromaticContact CE1-CD1 3.53Å; Y90-F129 HydrophobicContact CE1-CD1 3.53Å; Y90-F129 HydrophobicContact CE1-CE1 4.23Å; Y90-F129 HydrophobicContact CE1-CG 4.09Å; Y90-F129 HydrophobicContact CG-CD1 4.38Å; Y90-F129 HydrophobicContact CG-CE1 4.48Å; L93-F129 HydrophobicContact CD2-CE2 3.6Å; L93-F129 HydrophobicContact CD2-CZ 3.55Å; L96-F129 HydrophobicContact CD1-CE1 4.48Å; L96-F129 HydrophobicContact CD1-CE2 3.73Å; L96-F129 HydrophobicContact CD1-CZ 3.44Å; L96-F129 VanDerWaalsContact CD1-CZ 3.44Å; Y109-F129 AromaticContact CE1-CE1 3.87Å; Y109-F129 HydrophobicContact CE1-CE1 3.87Å; Y109-F129 HydrophobicContact CE1-CZ 4.1Å; Y109-F129 HydrophobicContact CE2-CZ 4.46Å; Y109-F129 AromaticContact CZ-CE1 3.85Å; Y109-F129 AromaticContact CZ-CZ 3.8Å; Y109-F129 WeakPolarHBondContact OH-CE1 3.35Å; H116-F129 HydrophobicContact CB-CD1 4.33Å; H116-F129 HydrophobicContact CB-CE1 4.27Å; H116-F129 AromaticContact ND1-CE1 3.99Å; L118-F129 HydrophobicContact CD2-CD1 3.43Å; L118-F129 VanDerWaalsContact CD2-CD1 3.43Å; L118-F129 HydrophobicContact CD2-CD2 4.31Å; L118-F129 HydrophobicContact CD2-CE1 3.55Å; L118-F129 HydrophobicContact CD2-CE2 4.39Å; L118-F129 HydrophobicContact CD2-CG 3.85Å; L118-F129 HydrophobicContact CD2-CZ 4.05Å; F129-Y136 CarbonylContact O-C 3.41Å; F129-Y136 VanDerWaalsContact O-CA 3.28Å; F129-Y136 WeakPolarHBondContact O-CA 3.4Å; F129-Y137 PolarHBondContact N-O 3.42Å; F129-Y137 PolarHBondContact O-N 3.34Å; F129-P139 HydrophobicContact CE2-CG 4.26Å; F129-L142 HydrophobicContact CD2-CD1 3.47Å; F129-L142 VanDerWaalsContact CD2-CD1 3.47Å; F129-L142 HydrophobicContact CE2-CD1 3.73Å; F129-L142 HydrophobicContact CG-CD1 4Å; F129-L142 HydrophobicContact CZ-CD1 4.44Å
130	N	89.9	Confident	90.4	Very high	39 Å²	39	47 Å²	47	21%	0.209	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	112.6	167.7	-175.3	-36.7	0	0	0	109.2	Q117 S132 Y136	Q117-N130 HydrophobicContact CB-CB 4.04Å; Q117-N130 PolarHBondContact O-N 2.95Å; N130-S132 PolarHBondContact OD1-N 3.14Å; N130-S132 PolarHBondContact OD1-O 3.49Å; N130-Y136 HydrophobicContact CB-CD1 4.21Å; N130-Y136 HydrophobicContact CB-CE1 4.14Å
131	S	81.6	Confident	90.6	Very high	35 Å²	35	45.7 Å²	45.7	25%	0.245	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	-16.1	-179.9	-169.6	0	0	0	0	113.2	Y90 T135	Y90-S131 WeakPolarHBondContact OH-CB 3.32Å; Y90-S131 PolarHBondContact OH-OG 2.91Å; S131-T135 PolarHBondContact N-O 2.79Å
132	S	77.9	Confident	90.7	Very high	54 Å²	54	45.3 Å²	45.3	38%	0.378	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	165.9	171	98	0	0	0	0	108.4	N130 E134 T135	N130-S132 PolarHBondContact OD1-N 3.14Å; N130-S132 PolarHBondContact OD1-O 3.49Å; S132-E134 PolarHBondContact O-N 3.18Å; S132-T135 PolarHBondContact N-O 3.39Å; S132-T135 PolarHBondContact O-N 2.93Å; S132-T135 VanDerWaalsContact OG-CB 3.29Å; S132-T135 WeakPolarHBondContact OG-CB 3.43Å; S132-T135 PolarHBondContact OG-N 3.16Å; S132-T135 PolarHBondContact OG-OG1 2.82Å
133	L	69.5	Low	91	Very high	160 Å²	160	40 Å²	40	84%	0.838	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-45.2	-31.1	-176.7	-67	173.5	0	0	0	115.2	Y136	L133-Y136 PolarHBondContact O-OH 3.28Å
134	E	75.5	Confident	91.4	Very high	173 Å²	173	35 Å²	35	81%	0.808	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-128.3	10.6	179.2	-60.1	-176.1	165.7	0	0	113	S132	S132-E134 PolarHBondContact O-N 3.18Å
135	T	86.4	Confident	91.6	Very high	49 Å²	49	33.8 Å²	33.8	30%	0.301	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	108.7	-177	-44	0	0	0	0	112.4	S131 S132 Y137	S131-T135 PolarHBondContact N-O 2.79Å; S132-T135 PolarHBondContact N-O 3.39Å; S132-T135 PolarHBondContact O-N 2.93Å; S132-T135 VanDerWaalsContact OG-CB 3.29Å; S132-T135 WeakPolarHBondContact OG-CB 3.43Å; S132-T135 PolarHBondContact OG-N 3.16Å; S132-T135 PolarHBondContact OG-OG1 2.82Å; T135-Y137 HydrophobicContact CG2-CD2 4.4Å; T135-Y137 HydrophobicContact CG2-CE2 3.53Å
136	Y	91.7	Very high	91.8	Very high	74 Å²	74	32.3 Å²	32.3	29%	0.29	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	150.7	179.1	-51.6	-77	0	0	0	111.2	Q119 F129 N130 L133 K696	Q119-Y136 VanDerWaalsContact CD-CE1 3.44Å; Q119-Y136 HydrophobicContact CG-CD1 4.48Å; Q119-Y136 VanDerWaalsContact NE2-CD1 3.32Å; F129-Y136 CarbonylContact O-C 3.41Å; F129-Y136 VanDerWaalsContact O-CA 3.28Å; F129-Y136 WeakPolarHBondContact O-CA 3.4Å; N130-Y136 HydrophobicContact CB-CD1 4.21Å; N130-Y136 HydrophobicContact CB-CE1 4.14Å; L133-Y136 PolarHBondContact O-OH 3.28Å; Y136-K696 PolarHBondContact O-NZ 3Å
137	Y	95	Very high	91.9	Very high	17 Å²	17	32.2 Å²	32.2	7%	0.067	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	137	170.7	-63.1	-87.5	0	0	0	111.3	L67 Y128 F129 T135 E141 L142 M145 K696 L700	L67-Y137 HydrophobicContact CD1-CD2 3.59Å; L67-Y137 HydrophobicContact CD1-CE1 4.48Å; L67-Y137 HydrophobicContact CD1-CE2 3.4Å; L67-Y137 VanDerWaalsContact CD1-CE2 3.4Å; L67-Y137 HydrophobicContact CD1-CG 4.22Å; Y128-Y137 WeakPolarHBondContact CA-O 3.48Å; F129-Y137 PolarHBondContact N-O 3.42Å; F129-Y137 PolarHBondContact O-N 3.34Å; T135-Y137 HydrophobicContact CG2-CD2 4.4Å; T135-Y137 HydrophobicContact CG2-CE2 3.53Å; Y137-E141 WeakPolarHBondContact CA-OE2 3.48Å; Y137-E141 HydrophobicContact CD1-CB 4.41Å; Y137-L142 HydrophobicContact CG-CD2 4.18Å; Y137-M145 HydrophobicContact CD1-CE 3.46Å; Y137-M145 VanDerWaalsContact CD1-CE 3.46Å; Y137-M145 HydrophobicContact CE1-CE 3.3Å; Y137-M145 HydrophobicContact CG-CE 4.31Å; Y137-K696 VanDerWaalsContact CE1-CE 3.41Å; Y137-L700 HydrophobicContact CE1-CD1 4.08Å
138	S	96.8	Very high	92	Very high	5 Å²	5	33.4 Å²	33.4	4%	0.035	17%	0.171	C	C	.	.			trans	-75.3	156.8	169	54	0	0	0	0	112.3	E140 E141 L142	S138-E140 PolarHBondContact O-N 3.46Å; S138-E141 PolarHBondContact N-OE2 2.91Å; S138-E141 PolarHBondContact O-N 2.84Å; S138-E141 WeakPolarHBondContact OG-CB 3.28Å; S138-E141 WeakPolarHBondContact OG-CG 3.24Å; S138-E141 PolarHBondContact OG-N 3.13Å; S138-E141 VanDerWaalsContact OG-N 3.08Å; S138-E141 PolarHBondContact OG-OE2 3.39Å; S138-L142 PolarHBondContact O-N 3.48Å
139	P	97.4	Very high	92	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-52.1	-39.5	165.7	-25.8	33.5	0	0	0	112.5	L96 L97 V127 F129 L142 L143	L96-P139 HydrophobicContact CB-CB 4Å; L96-P139 HydrophobicContact CB-CG 3.57Å; L96-P139 HydrophobicContact CD1-CG 4.32Å; L97-P139 HydrophobicContact CD2-CB 4.08Å; V127-P139 HydrophobicContact CB-CG 4.13Å; V127-P139 WeakPolarHBondContact O-CD 3.36Å; F129-P139 HydrophobicContact CE2-CG 4.26Å; P139-L142 PolarHBondContact O-N 3.01Å; P139-L143 VanDerWaalsContact O-CB 3.32Å; P139-L143 WeakPolarHBondContact O-CB 3.37Å; P139-L143 PolarHBondContact O-N 3.31Å
140	E	97.9	Very high	92.1	Very high	3 Å²	3	33.1 Å²	33.1	1%	0.014	17%	0.17	C	C	.	.	H	α-helix	trans	-61.8	-43.8	175.8	-61.6	97.6	121.3	0	0	112.6	L97 R124 S138 L143 G144 A180 A184 M187	L97-E140 HydrophobicContact CD2-CG 4.39Å; R124-E140 IonicContact CZ-OE1 2.71Å; R124-E140 VanDerWaalsContact CZ-OE1 3.31Å; R124-E140 IonicContact NH1-OE1 2.65Å; R124-E140 PolarHBondContact NH1-OE1 2.92Å; R124-E140 IonicContact NH2-OE1 2.74Å; R124-E140 PolarHBondContact NH2-OE1 3.27Å; S138-E140 PolarHBondContact O-N 3.46Å; E140-L143 PolarHBondContact O-N 3.41Å; E140-G144 PolarHBondContact O-N 3.08Å; E140-A180 HydrophobicContact CG-CB 3.94Å; E140-A184 HydrophobicContact CB-CB 4.48Å; E140-A184 VanDerWaalsContact O-CB 3.24Å; E140-A184 WeakPolarHBondContact O-CB 3.35Å; E140-M187 HydrophobicContact CB-CE 4.36Å
141	E	97.6	Very high	92.4	Very high	5 Å²	5	32.5 Å²	32.5	2%	0.023	17%	0.165	C	C	.	.	H	α-helix	trans	-66.2	-43.7	176.1	-78.6	169.4	104.2	0	0	112.7	Y137 S138 L143 G144 M145 M187 K696 L697	Y137-E141 WeakPolarHBondContact CA-OE2 3.48Å; Y137-E141 HydrophobicContact CD1-CB 4.41Å; S138-E141 PolarHBondContact N-OE2 2.91Å; S138-E141 PolarHBondContact O-N 2.84Å; S138-E141 WeakPolarHBondContact OG-CB 3.28Å; S138-E141 WeakPolarHBondContact OG-CG 3.24Å; S138-E141 PolarHBondContact OG-N 3.13Å; S138-E141 VanDerWaalsContact OG-N 3.08Å; S138-E141 PolarHBondContact OG-OE2 3.39Å; E141-L143 VanDerWaalsContact C-N 3.32Å; E141-L143 PolarHBondContact O-N 3.11Å; E141-G144 CarbonylContact O-C 3.35Å; E141-G144 WeakPolarHBondContact O-CA 3.39Å; E141-G144 PolarHBondContact O-N 2.63Å; E141-G144 VanDerWaalsContact O-N 3.12Å; E141-M145 WeakPolarHBondContact O-CG 3.08Å; E141-M145 PolarHBondContact O-N 3.23Å; E141-M187 HydrophobicContact CB-SD 4.41Å; E141-M187 HydrophobicContact CG-CE 4.24Å; E141-M187 HydrophobicContact CG-SD 3.71Å; E141-K696 WeakPolarHBondContact OE1-CD 3.25Å; E141-K696 VanDerWaalsContact OE1-CE 3.28Å; E141-K696 WeakPolarHBondContact OE1-CE 3.33Å; E141-K696 IonicContact OE1-NZ 2.73Å; E141-K696 PolarHBondContact OE1-NZ 3.33Å; E141-K696 IonicContact OE2-NZ 2.76Å; E141-L697 HydrophobicContact CB-CD2 4.39Å
142	L	97.7	Very high	93.1	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.9	-38.1	178.1	-66.2	177.4	0	0	0	111.4	V65 L67 Y90 L93 F129 Y137 S138 P139 M145 M146	V65-L142 HydrophobicContact CG1-CD2 4.44Å; L67-L142 HydrophobicContact CD1-CD2 3.83Å; Y90-L142 HydrophobicContact CD2-CD1 4.16Å; Y90-L142 HydrophobicContact CD2-CD2 4.3Å; Y90-L142 HydrophobicContact CG-CD1 4Å; L93-L142 HydrophobicContact CD1-CB 3.59Å; L93-L142 HydrophobicContact CD1-CD1 4.39Å; L93-L142 HydrophobicContact CD2-CB 4.37Å; L93-L142 HydrophobicContact CD2-CD1 3.79Å; F129-L142 HydrophobicContact CD2-CD1 3.47Å; F129-L142 VanDerWaalsContact CD2-CD1 3.47Å; F129-L142 HydrophobicContact CE2-CD1 3.73Å; F129-L142 HydrophobicContact CG-CD1 4Å; F129-L142 HydrophobicContact CZ-CD1 4.44Å; Y137-L142 HydrophobicContact CG-CD2 4.18Å; S138-L142 PolarHBondContact O-N 3.48Å; P139-L142 PolarHBondContact O-N 3.01Å; L142-M145 HydrophobicContact CD2-CE 4.03Å; L142-M145 PolarHBondContact O-N 3.38Å; L142-M146 PolarHBondContact O-N 3.37Å
143	L	98.1	Very high	94	Very high	5 Å²	5	30.3 Å²	30.3	3%	0.026	15%	0.151	C	C	.	.	H	α-helix	trans	-65.8	-39	170	178.5	59.3	0	0	0	111.5	L33 L97 P139 E140 E141 M145 M146 L147 V181 A184	L33-L143 HydrophobicContact CD1-CD1 3.63Å; L33-L143 HydrophobicContact CD2-CD1 4.2Å; L33-L143 HydrophobicContact CD2-CD2 4.18Å; L97-L143 HydrophobicContact CD1-CD2 3.9Å; L97-L143 HydrophobicContact CD2-CD2 3.95Å; P139-L143 VanDerWaalsContact O-CB 3.32Å; P139-L143 WeakPolarHBondContact O-CB 3.37Å; P139-L143 PolarHBondContact O-N 3.31Å; E140-L143 PolarHBondContact O-N 3.41Å; E141-L143 VanDerWaalsContact C-N 3.32Å; E141-L143 PolarHBondContact O-N 3.11Å; L143-M145 VanDerWaalsContact C-N 3.29Å; L143-M145 PolarHBondContact O-N 3.11Å; L143-M146 WeakPolarHBondContact O-CB 3.14Å; L143-M146 PolarHBondContact O-N 3.4Å; L143-M146 VanDerWaalsContact O-N 3.13Å; L143-L147 HydrophobicContact CD1-CD1 4.36Å; L143-L147 HydrophobicContact CD1-CG 4.13Å; L143-L147 HydrophobicContact CG-CD1 4.02Å; L143-L147 HydrophobicContact CG-CG 4.27Å; L143-L147 WeakPolarHBondContact O-CG 3.17Å; L143-L147 PolarHBondContact O-N 3.03Å; L143-V181 HydrophobicContact CD2-CG2 4.41Å; L143-A184 HydrophobicContact CB-CB 3.89Å; L143-A184 HydrophobicContact CD2-CB 3.7Å; L143-A184 HydrophobicContact CG-CB 3.69Å
144	G	97.9	Very high	95.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-60.2	-36.7	174.2	0	0	0	0	0	112.9	E140 E141 N148 A184	E140-G144 PolarHBondContact O-N 3.08Å; E141-G144 CarbonylContact O-C 3.35Å; E141-G144 WeakPolarHBondContact O-CA 3.39Å; E141-G144 PolarHBondContact O-N 2.63Å; E141-G144 VanDerWaalsContact O-N 3.12Å; G144-N148 WeakPolarHBondContact O-CB 3.4Å; G144-N148 PolarHBondContact O-N 3.26Å; G144-A184 WeakPolarHBondContact CA-O 3.4Å
145	M	97.6	Very high	96.1	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-64	-45.6	171.2	-58.9	-169.3	-154.4	0	0	111.9	V65 L67 R72 F74 Y137 E141 L142 L143 N148 Y149 L697 L700	V65-M145 HydrophobicContact CG1-SD 4.28Å; L67-M145 HydrophobicContact CD1-CE 4.27Å; L67-M145 HydrophobicContact CD2-CE 4.27Å; L67-M145 HydrophobicContact CD2-SD 3.95Å; R72-M145 PolarHBondContact NH1-SD 2.83Å; F74-M145 HydrophobicContact CE1-CB 3.73Å; F74-M145 HydrophobicContact CZ-CB 4.06Å; Y137-M145 HydrophobicContact CD1-CE 3.46Å; Y137-M145 VanDerWaalsContact CD1-CE 3.46Å; Y137-M145 HydrophobicContact CE1-CE 3.3Å; Y137-M145 HydrophobicContact CG-CE 4.31Å; E141-M145 WeakPolarHBondContact O-CG 3.08Å; E141-M145 PolarHBondContact O-N 3.23Å; L142-M145 HydrophobicContact CD2-CE 4.03Å; L142-M145 PolarHBondContact O-N 3.38Å; L143-M145 VanDerWaalsContact C-N 3.29Å; L143-M145 PolarHBondContact O-N 3.11Å; M145-N148 PolarHBondContact O-N 3.31Å; M145-Y149 PolarHBondContact O-N 3.09Å; M145-L697 HydrophobicContact CE-CD2 3.54Å; M145-L697 HydrophobicContact CG-CD1 4.16Å; M145-L697 HydrophobicContact CG-CD2 3.7Å; M145-L697 HydrophobicContact CG-CG 4.5Å; M145-L697 HydrophobicContact SD-CD2 4.33Å; M145-L700 HydrophobicContact CE-CD1 4Å
146	M	97.6	Very high	96.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-59.6	-48	175.3	-77.3	-61	-51.9	0	0	111.7	M38 V65 F74 L142 L143 N148 Y149 S150	M38-M146 HydrophobicContact CE-CB 4.27Å; M38-M146 HydrophobicContact CE-CE 4.34Å; M38-M146 HydrophobicContact SD-CE 4.17Å; V65-M146 HydrophobicContact CG2-CG 3.55Å; V65-M146 HydrophobicContact CG2-SD 3.71Å; F74-M146 HydrophobicContact CD1-SD 3.88Å; L142-M146 PolarHBondContact O-N 3.37Å; L143-M146 WeakPolarHBondContact O-CB 3.14Å; L143-M146 PolarHBondContact O-N 3.4Å; L143-M146 VanDerWaalsContact O-N 3.13Å; M146-N148 VanDerWaalsContact C-N 3.32Å; M146-N148 PolarHBondContact O-N 2.7Å; M146-Y149 WeakPolarHBondContact O-CB 3.35Å; M146-Y149 PolarHBondContact O-N 2.72Å; M146-Y149 VanDerWaalsContact O-N 3.16Å; M146-S150 PolarHBondContact O-N 3.47Å; M146-S150 PolarHBondContact O-OG 3.06Å
147	L	98.2	Very high	96.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-63.6	-35.9	179.9	-70	174.2	0	0	0	112.3	V31 L143 S150 R151 I167 A184 A185 A188 L190	V31-L147 HydrophobicContact CB-CD2 4.48Å; V31-L147 HydrophobicContact CG1-CD2 4.17Å; V31-L147 HydrophobicContact CG2-CD2 4.2Å; L143-L147 HydrophobicContact CD1-CD1 4.36Å; L143-L147 HydrophobicContact CD1-CG 4.13Å; L143-L147 HydrophobicContact CG-CD1 4.02Å; L143-L147 HydrophobicContact CG-CG 4.27Å; L143-L147 WeakPolarHBondContact O-CG 3.17Å; L143-L147 PolarHBondContact O-N 3.03Å; L147-S150 WeakPolarHBondContact O-CB 3.5Å; L147-S150 PolarHBondContact O-N 2.74Å; L147-R151 WeakPolarHBondContact O-CB 3.37Å; L147-R151 PolarHBondContact O-N 2.7Å; L147-I167 HydrophobicContact CD1-CD1 4.22Å; L147-I167 HydrophobicContact CD2-CD1 4.11Å; L147-A184 HydrophobicContact CD1-CB 4.07Å; L147-A185 HydrophobicContact CD1-CB 4.15Å; L147-A188 HydrophobicContact CB-CB 3.82Å; L147-L190 HydrophobicContact CB-CD1 4.01Å
148	N	97.1	Very high	96.1	Very high	26 Å²	26	19.1 Å²	19.1	14%	0.139	10%	0.098	C	C	.	.	H	α-helix	trans	-68.5	-39.2	172.9	-173.9	46.8	0	0	0	112.4	G144 M145 M146 R151 G152 A188 T701	G144-N148 WeakPolarHBondContact O-CB 3.4Å; G144-N148 PolarHBondContact O-N 3.26Å; M145-N148 PolarHBondContact O-N 3.31Å; M146-N148 VanDerWaalsContact C-N 3.32Å; M146-N148 PolarHBondContact O-N 2.7Å; N148-R151 WeakPolarHBondContact O-CB 2.96Å; N148-R151 PolarHBondContact O-N 3.04Å; N148-R151 PolarHBondContact OD1-NE 2.48Å; N148-R151 PolarHBondContact OD1-NH2 3.11Å; N148-G152 PolarHBondContact O-N 2.62Å; N148-A188 HydrophobicContact CB-CB 4.17Å; N148-T701 PolarHBondContact ND2-OG1 3.2Å
149	Y	96.4	Very high	95.9	Very high	49 Å²	49	26.8 Å²	26.8	19%	0.192	13%	0.133	C	C	.	.	H	α-helix	trans	-63.6	-42.2	172.8	173.4	-109.8	0	0	0	111.8	T61 F74 M145 M146 R151 G152 L153	T61-Y149 HydrophobicContact CG2-CE1 4.03Å; F74-Y149 HydrophobicContact CB-CD1 3.57Å; F74-Y149 HydrophobicContact CB-CD2 4Å; F74-Y149 HydrophobicContact CB-CE1 3.66Å; F74-Y149 HydrophobicContact CB-CE2 4.11Å; F74-Y149 HydrophobicContact CB-CG 3.74Å; F74-Y149 HydrophobicContact CD1-CG 4.45Å; F74-Y149 AromaticContact CD2-CD2 3.76Å; F74-Y149 HydrophobicContact CD2-CD2 3.76Å; F74-Y149 HydrophobicContact CD2-CE2 4.35Å; F74-Y149 AromaticContact CD2-CG 3.9Å; F74-Y149 HydrophobicContact CD2-CG 3.9Å; F74-Y149 HydrophobicContact CG-CD1 4.05Å; F74-Y149 HydrophobicContact CG-CD2 4.03Å; F74-Y149 AromaticContact CG-CG 3.75Å; F74-Y149 HydrophobicContact CG-CG 3.75Å; M145-Y149 PolarHBondContact O-N 3.09Å; M146-Y149 WeakPolarHBondContact O-CB 3.35Å; M146-Y149 PolarHBondContact O-N 2.72Å; M146-Y149 VanDerWaalsContact O-N 3.16Å; Y149-R151 VanDerWaalsContact C-N 3.35Å; Y149-R151 PolarHBondContact O-N 3.11Å; Y149-G152 WeakPolarHBondContact O-CA 3.24Å; Y149-G152 PolarHBondContact O-N 2.99Å; Y149-G152 VanDerWaalsContact O-N 3.07Å; Y149-L153 HydrophobicContact CD1-CD1 4.3Å; Y149-L153 HydrophobicContact CE1-CD1 3.7Å; Y149-L153 HydrophobicContact CE1-CG 4.29Å; Y149-L153 HydrophobicContact CE2-CD2 4.34Å; Y149-L153 HydrophobicContact CE2-CG 4.33Å; Y149-L153 PolarHBondContact O-N 3.04Å
150	S	97	Very high	95.5	Very high	1 Å²	1	29 Å²	29	1%	0.007	14%	0.143	C	C	.	.	H	α-helix	trans	-60.2	-41.4	172.5	-59.6	0	0	0	0	113	M38 M40 M146 L147 G152 A154	M38-S150 PolarHBondContact SD-OG 2.89Å; M40-S150 VanDerWaalsContact SD-CB 3.55Å; M146-S150 PolarHBondContact O-N 3.47Å; M146-S150 PolarHBondContact O-OG 3.06Å; L147-S150 WeakPolarHBondContact O-CB 3.5Å; L147-S150 PolarHBondContact O-N 2.74Å; S150-G152 VanDerWaalsContact C-N 3.31Å; S150-A154 VanDerWaalsContact O-CB 3.31Å; S150-A154 WeakPolarHBondContact O-CB 3.48Å; S150-A154 PolarHBondContact O-N 3.19Å
151	R	96.4	Very high	95.2	Very high	26 Å²	26	32 Å²	32	10%	0.098	16%	0.163	C	C	.	.	H	α-helix	trans	-60.6	-42.1	171.4	-179.2	177	64.9	158.8	-0.1	110.8	L147 N148 Y149 A154 Q155 I162 A188 D189 L190	L147-R151 WeakPolarHBondContact O-CB 3.37Å; L147-R151 PolarHBondContact O-N 2.7Å; N148-R151 WeakPolarHBondContact O-CB 2.96Å; N148-R151 PolarHBondContact O-N 3.04Å; N148-R151 PolarHBondContact OD1-NE 2.48Å; N148-R151 PolarHBondContact OD1-NH2 3.11Å; Y149-R151 VanDerWaalsContact C-N 3.35Å; Y149-R151 PolarHBondContact O-N 3.11Å; R151-A154 PolarHBondContact O-N 3.02Å; R151-Q155 HydrophobicContact CG-CG 4.2Å; R151-Q155 WeakPolarHBondContact O-CB 3.31Å; R151-Q155 WeakPolarHBondContact O-CG 3.44Å; R151-Q155 PolarHBondContact O-N 3.4Å; R151-I162 VanDerWaalsContact CD-O 3.31Å; R151-I162 WeakPolarHBondContact CD-O 2.79Å; R151-A188 PolarHBondContact NH1-O 3.42Å; R151-A188 PolarHBondContact NH2-O 2.83Å; R151-D189 PolarHBondContact NH1-O 2.86Å; R151-D189 VanDerWaalsContact NH1-O 3.15Å; R151-D189 IonicContact NH1-OD2 2.79Å; R151-D189 PolarHBondContact NH1-OD2 2.97Å; R151-L190 HydrophobicContact CB-CD2 4.24Å; R151-L190 HydrophobicContact CG-CD2 4.15Å
152	G	95.4	Very high	95	Very high	22 Å²	22	31.8 Å²	31.8	23%	0.227	16%	0.162	C	C	.	.	H	α-helix	trans	-52.8	-61.4	173.1	0	0	0	0	0	112.3	N148 Y149 S150 A154 Q155 D156	N148-G152 PolarHBondContact O-N 2.62Å; Y149-G152 WeakPolarHBondContact O-CA 3.24Å; Y149-G152 PolarHBondContact O-N 2.99Å; Y149-G152 VanDerWaalsContact O-N 3.07Å; S150-G152 VanDerWaalsContact C-N 3.31Å; G152-A154 VanDerWaalsContact C-N 3.27Å; G152-A154 PolarHBondContact O-N 2.93Å; G152-Q155 PolarHBondContact O-N 2.92Å; G152-D156 PolarHBondContact O-N 2.99Å
153	L	95.8	Very high	94.8	Very high	20 Å²	20	36.7 Å²	36.7	11%	0.105	18%	0.184	C	C	.	.	H	α-helix	trans	-53.4	-42.8	178.2	-65.3	178.1	0	0	0	112.7	M40 V52 N54 Y149 F157	M40-L153 HydrophobicContact CE-CD1 4.17Å; M40-L153 HydrophobicContact SD-CD1 4.14Å; V52-L153 HydrophobicContact CG1-CB 3.99Å; N54-L153 HydrophobicContact CB-CD1 3.9Å; Y149-L153 HydrophobicContact CD1-CD1 4.3Å; Y149-L153 HydrophobicContact CE1-CD1 3.7Å; Y149-L153 HydrophobicContact CE1-CG 4.29Å; Y149-L153 HydrophobicContact CE2-CD2 4.34Å; Y149-L153 HydrophobicContact CE2-CG 4.33Å; Y149-L153 PolarHBondContact O-N 3.04Å; L153-F157 WeakPolarHBondContact O-CB 3.43Å; L153-F157 PolarHBondContact O-N 3.27Å; L153-F157 VanDerWaalsContact O-N 3.09Å
154	A	95.2	Very high	94.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-69	-36.2	179.4	0	0	0	0	0	112.8	M29 I42 V52 S150 R151 G152 A158 I162	M29-A154 HydrophobicContact CB-CB 4.38Å; M29-A154 HydrophobicContact CE-CB 3.6Å; M29-A154 HydrophobicContact SD-CB 3.91Å; I42-A154 HydrophobicContact CG2-CB 3.85Å; V52-A154 HydrophobicContact CG2-CB 4.25Å; S150-A154 VanDerWaalsContact O-CB 3.31Å; S150-A154 WeakPolarHBondContact O-CB 3.48Å; S150-A154 PolarHBondContact O-N 3.19Å; R151-A154 PolarHBondContact O-N 3.02Å; G152-A154 VanDerWaalsContact C-N 3.27Å; G152-A154 PolarHBondContact O-N 2.93Å; A154-A158 WeakPolarHBondContact O-CB 3.36Å; A154-A158 PolarHBondContact O-N 3.36Å; A154-I162 HydrophobicContact CB-CD1 3.83Å; A154-I162 WeakPolarHBondContact O-CD1 3.39Å
155	Q	94.4	Very high	94.7	Very high	51 Å²	51	38.3 Å²	38.3	24%	0.238	19%	0.193	C	C	.	.	H	α-helix	trans	-69.2	-40.7	174.8	-73.1	179.3	148.9	0	0	112.2	R151 G152 A158 E159 Q160 I162	R151-Q155 HydrophobicContact CG-CG 4.2Å; R151-Q155 WeakPolarHBondContact O-CB 3.31Å; R151-Q155 WeakPolarHBondContact O-CG 3.44Å; R151-Q155 PolarHBondContact O-N 3.4Å; G152-Q155 PolarHBondContact O-N 2.92Å; Q155-A158 CarbonylContact O-C 3.57Å; Q155-A158 PolarHBondContact O-N 2.91Å; Q155-E159 WeakPolarHBondContact O-CA 3.47Å; Q155-E159 PolarHBondContact O-N 3.49Å; Q155-Q160 WeakPolarHBondContact CA-O 3.41Å; Q155-Q160 WeakPolarHBondContact CG-O 3.27Å; Q155-Q160 PolarHBondContact O-N 2.94Å; Q155-I162 HydrophobicContact CG-CB 4.02Å; Q155-I162 HydrophobicContact CG-CD1 4.49Å; Q155-I162 HydrophobicContact CG-CG1 4.01Å
156	D	92.6	Very high	94.7	Very high	127 Å²	127	38.3 Å²	38.3	68%	0.679	19%	0.192	S	C	*	.	H	α-helix	trans	-62.8	-44.7	177.2	-66	-27.4	0	0	0	110.5	G152 E159	G152-D156 PolarHBondContact O-N 2.99Å; D156-E159 PolarHBondContact O-N 3.49Å
157	F	91	Very high	94.8	Very high	59 Å²	59	38.3 Å²	38.3	26%	0.259	19%	0.192	S	C	.	.	H	α-helix	trans	-67.9	-34.7	174.2	-165.3	-79.3	0	0	0	112.6	I42 K44 E50 V52 L53 L153	I42-F157 HydrophobicContact CD1-CD1 3.65Å; I42-F157 HydrophobicContact CD1-CE1 3.95Å; I42-F157 HydrophobicContact CG1-CD1 3.76Å; I42-F157 HydrophobicContact CG1-CE1 4.03Å; K44-F157 PolarHBondContact NZ-O 2.99Å; K44-F157 VanDerWaalsContact NZ-O 3.08Å; E50-F157 HydrophobicContact CG-CE1 4.4Å; E50-F157 HydrophobicContact CG-CZ 4.05Å; V52-F157 HydrophobicContact CG1-CB 4.07Å; V52-F157 HydrophobicContact CG1-CD2 4.4Å; V52-F157 HydrophobicContact CG1-CG 4.35Å; L53-F157 HydrophobicContact CG-CE2 4.38Å; L153-F157 WeakPolarHBondContact O-CB 3.43Å; L153-F157 PolarHBondContact O-N 3.27Å; L153-F157 VanDerWaalsContact O-N 3.09Å
158	A	90.7	Very high	94.8	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.008	19%	0.193	C	C	.	.	H	α-helix	trans	-81.6	-14.3	179.1	0	0	0	0	0	114.3	A27 I42 K44 A154 Q155 Q160 I162	A27-A158 HydrophobicContact CB-CB 4.05Å; I42-A158 HydrophobicContact CD1-CB 4.39Å; K44-A158 HydrophobicContact CD-CB 4.22Å; K44-A158 WeakPolarHBondContact CD-O 3.5Å; K44-A158 PolarHBondContact NZ-O 3.31Å; A154-A158 WeakPolarHBondContact O-CB 3.36Å; A154-A158 PolarHBondContact O-N 3.36Å; Q155-A158 CarbonylContact O-C 3.57Å; Q155-A158 PolarHBondContact O-N 2.91Å; A158-Q160 HydrophobicContact CB-CG 4.08Å; A158-Q160 PolarHBondContact O-N 3Å; A158-Q160 PolarHBondContact O-NE2 3.18Å; A158-I162 HydrophobicContact CB-CD1 3.79Å; A158-I162 HydrophobicContact CB-CG1 4.33Å
159	E	91	Very high	94.9	Very high	167 Å²	167	37.1 Å²	37.1	78%	0.78	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	26.4	-172.5	-58.8	166.6	123.5	0	0	113.1	K44 Q155 D156	K44-E159 IonicContact NZ-OE2 2.71Å; K44-E159 PolarHBondContact NZ-OE2 2.68Å; K44-E159 VanDerWaalsContact NZ-OE2 3.14Å; Q155-E159 WeakPolarHBondContact O-CA 3.47Å; Q155-E159 PolarHBondContact O-N 3.49Å; D156-E159 PolarHBondContact O-N 3.49Å
160	Q	90.5	Very high	94.9	Very high	45 Å²	45	35.2 Å²	35.2	21%	0.21	18%	0.18	C	C	.	.	S	Bend	trans	-156	157.3	-179.7	74.1	-163.3	-100.9	0	0	111.5	A27 Q155 A158	A27-Q160 HydrophobicContact CB-CG 3.68Å; Q155-Q160 WeakPolarHBondContact CA-O 3.41Å; Q155-Q160 WeakPolarHBondContact CG-O 3.27Å; Q155-Q160 PolarHBondContact O-N 2.94Å; A158-Q160 HydrophobicContact CB-CG 4.08Å; A158-Q160 PolarHBondContact O-N 3Å; A158-Q160 PolarHBondContact O-NE2 3.18Å
161	P	92.1	Very high	94.9	Very high	67 Å²	67	35.1 Å²	35.1	44%	0.435	18%	0.179	S	C	.	.			trans	-62	143.7	173.5	-20.1	31.8	0	0	0	112.6	T25	T25-P161 HydrophobicContact CG2-CB 3.97Å; T25-P161 HydrophobicContact CG2-CG 4.26Å; T25-P161 WeakPolarHBondContact CG2-O 3.17Å
162	I	93.1	Very high	94.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.176	C	C	.	.			trans	-126.3	134.8	178	-59.3	179.8	0	0	0	108.7	A27 M29 I42 R151 A154 Q155 A158	A27-I162 HydrophobicContact CB-CD1 4.17Å; A27-I162 HydrophobicContact CB-CG1 3.95Å; M29-I162 HydrophobicContact CB-CD1 4.43Å; M29-I162 HydrophobicContact CB-CG2 4.13Å; M29-I162 HydrophobicContact CG-CG2 3.81Å; M29-I162 HydrophobicContact SD-CG2 3.92Å; I42-I162 HydrophobicContact CG2-CD1 4.06Å; R151-I162 VanDerWaalsContact CD-O 3.31Å; R151-I162 WeakPolarHBondContact CD-O 2.79Å; A154-I162 HydrophobicContact CB-CD1 3.83Å; A154-I162 WeakPolarHBondContact O-CD1 3.39Å; Q155-I162 HydrophobicContact CG-CB 4.02Å; Q155-I162 HydrophobicContact CG-CD1 4.49Å; Q155-I162 HydrophobicContact CG-CG1 4.01Å; A158-I162 HydrophobicContact CB-CD1 3.79Å; A158-I162 HydrophobicContact CB-CG1 4.33Å
163	K	92.1	Very high	95	Very high	104 Å²	104	33.6 Å²	33.6	45%	0.452	17%	0.167	S	C	.	.			trans	-126.6	-39.2	175.1	-65.5	-163.8	173.4	-120.6	0	113.1	D189 K191	K163-D189 IonicContact NZ-OD2 3.95Å; K163-D189 PolarHBondContact NZ-OD2 3.37Å; K163-K191 PolarHBondContact O-N 3.37Å
164	D	96.1	Very high	95.1	Very high	39 Å²	39	32.9 Å²	32.9	21%	0.209	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	127.1	-176.1	-80.3	9.7	0	0	0	111.1	V28 M29 K191 L193	V28-D164 HydrophobicContact CB-CB 4.47Å; V28-D164 HydrophobicContact CG1-CB 3.79Å; M29-D164 PolarHBondContact N-O 2.82Å; D164-K191 WeakPolarHBondContact CA-O 3.42Å; D164-K191 WeakPolarHBondContact OD1-CB 3.39Å; D164-K191 WeakPolarHBondContact OD1-CD 3.47Å; D164-K191 WeakPolarHBondContact OD1-CG 3.38Å; D164-K191 IonicContact OD1-NZ 2.75Å; D164-K191 PolarHBondContact OD1-NZ 3.34Å; D164-K191 IonicContact OD2-NZ 2.68Å; D164-K191 PolarHBondContact OD2-NZ 3.37Å; D164-L193 HydrophobicContact CB-CD1 4.06Å; D164-L193 HydrophobicContact CB-CD2 4.23Å; D164-L193 HydrophobicContact CB-CG 4.12Å
165	T	97.9	Very high	95.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	152	-174.8	-173	0	0	0	0	113.1	M29 I167 L190 K191 V192 L193	M29-T165 WeakPolarHBondContact CG-OG1 3.46Å; M29-T165 VanDerWaalsContact O-CA 3.31Å; M29-T165 WeakPolarHBondContact O-CA 3.2Å; T165-I167 HydrophobicContact CG2-CD1 4.16Å; T165-I167 HydrophobicContact CG2-CG1 4.03Å; T165-L190 HydrophobicContact CG2-CB 3.92Å; T165-L190 HydrophobicContact CG2-CD1 4.31Å; T165-L190 HydrophobicContact CG2-CD2 4.07Å; T165-L190 HydrophobicContact CG2-CG 4.34Å; T165-K191 PolarHBondContact N-O 2.99Å; T165-V192 HydrophobicContact CG2-CG2 4.33Å; T165-V192 CarbonylContact O-C 3.54Å; T165-V192 WeakPolarHBondContact O-CA 3.47Å; T165-L193 PolarHBondContact O-N 3.28Å
166	V	98.8	Very high	95.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	125.9	162.3	171.6	0	0	0	0	108.9	M29 S30 V31 L193 Q194 I196 A410 A414 L417	M29-V166 PolarHBondContact O-N 2.78Å; M29-V166 VanDerWaalsContact O-N 3.13Å; S30-V166 CarbonylContact C-O 3.23Å; S30-V166 WeakPolarHBondContact CA-O 3.41Å; S30-V166 WeakPolarHBondContact CB-O 3.44Å; V31-V166 PolarHBondContact N-O 3.18Å; V166-L193 HydrophobicContact CG2-CB 3.98Å; V166-Q194 HydrophobicContact CG1-CB 4.49Å; V166-Q194 HydrophobicContact CG2-CB 4.27Å; V166-I196 HydrophobicContact CG1-CB 4.02Å; V166-I196 HydrophobicContact CG1-CG2 3.56Å; V166-A410 HydrophobicContact CG1-CB 3.99Å; V166-A414 HydrophobicContact CB-CB 4.1Å; V166-A414 HydrophobicContact CG2-CB 3.67Å; V166-L417 HydrophobicContact CG2-CD1 4.27Å
167	I	98.9	Very high	95.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	134.2	-177	-56.8	176.9	0	0	0	108.3	V31 L33 L147 T165 V181 A185 V192 Q194 L195 I196	V31-I167 HydrophobicContact CB-CG1 4.4Å; V31-I167 HydrophobicContact CB-CG2 4.46Å; L33-I167 HydrophobicContact CB-CG2 4.09Å; L33-I167 HydrophobicContact CD2-CG2 3.84Å; L147-I167 HydrophobicContact CD1-CD1 4.22Å; L147-I167 HydrophobicContact CD2-CD1 4.11Å; T165-I167 HydrophobicContact CG2-CD1 4.16Å; T165-I167 HydrophobicContact CG2-CG1 4.03Å; I167-V181 HydrophobicContact CG2-CG1 4.04Å; I167-A185 HydrophobicContact CD1-CB 3.88Å; I167-V192 HydrophobicContact CD1-CG2 3.92Å; I167-Q194 PolarHBondContact N-O 2.73Å; I167-L195 HydrophobicContact CB-CD2 3.93Å; I167-L195 HydrophobicContact CG2-CD2 4.46Å; I167-L195 WeakPolarHBondContact O-CA 3.49Å; I167-I196 PolarHBondContact O-N 3.37Å; I167-I196 VanDerWaalsContact O-N 3.08Å
168	T	98.7	Very high	95.9	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.006	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	147.4	172.6	66.5	0	0	0	0	110.8	V31 D32 L33 I196 A201 A406 A410	V31-T168 PolarHBondContact O-N 3.1Å; V31-T168 PolarHBondContact O-OG1 3.04Å; D32-T168 VanDerWaalsContact CA-OG1 3.31Å; D32-T168 WeakPolarHBondContact CA-OG1 3.24Å; D32-T168 PolarHBondContact OD1-OG1 3.3Å; L33-T168 WeakPolarHBondContact CB-O 3.34Å; L33-T168 PolarHBondContact N-OG1 3.43Å; T168-I196 CarbonylContact C-O 3.59Å; T168-I196 VanDerWaalsContact CA-O 3.29Å; T168-I196 WeakPolarHBondContact CA-O 3.41Å; T168-I196 HydrophobicContact CG2-CG2 4.01Å; T168-A201 HydrophobicContact CG2-CB 4.24Å; T168-A406 HydrophobicContact CG2-CB 4.26Å; T168-A410 HydrophobicContact CG2-CB 3.98Å
169	V	98.4	Very high	96.3	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.006	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	148.7	167.1	-66.3	0	0	0	0	109.7	A171 F173 V181 L195 I196 N197 D198	V169-A171 PolarHBondContact O-N 3.07Å; V169-F173 HydrophobicContact CB-CB 4.5Å; V169-F173 HydrophobicContact CB-CD2 3.94Å; V169-F173 HydrophobicContact CB-CG 4.37Å; V169-F173 HydrophobicContact CG1-CD2 4.14Å; V169-V181 HydrophobicContact CG1-CB 4.41Å; V169-V181 HydrophobicContact CG1-CG1 4.24Å; V169-V181 HydrophobicContact CG1-CG2 4.08Å; V169-L195 HydrophobicContact CG1-CB 4.38Å; V169-L195 HydrophobicContact CG1-CD1 4.22Å; V169-L195 HydrophobicContact CG1-CD2 4.28Å; V169-L195 HydrophobicContact CG2-CB 4.25Å; V169-I196 PolarHBondContact N-O 3.01Å; V169-N197 CarbonylContact O-C 3.58Å; V169-N197 VanDerWaalsContact O-CA 3.32Å; V169-N197 WeakPolarHBondContact O-CA 3.49Å; V169-D198 PolarHBondContact O-N 2.94Å
170	P	97.4	Very high	96.6	Very high	8 Å²	8	16.9 Å²	16.9	5%	0.052	9%	0.085	C	C	.	.			trans	-55.4	134.1	171.2	-25.8	35.3	0	0	0	111.2	F172 F173 D198	P170-F172 HydrophobicContact CB-CD1 4.23Å; P170-F172 HydrophobicContact CB-CD2 3.95Å; P170-F172 HydrophobicContact CB-CE1 3.86Å; P170-F172 HydrophobicContact CB-CE2 3.55Å; P170-F172 HydrophobicContact CB-CG 4.28Å; P170-F172 HydrophobicContact CB-CZ 3.51Å; P170-F172 HydrophobicContact CG-CE2 4.24Å; P170-F172 HydrophobicContact CG-CZ 4.2Å; P170-F172 PolarHBondContact O-N 3.2Å; P170-F173 HydrophobicContact CB-CD1 3.78Å; P170-F173 HydrophobicContact CB-CE1 4.04Å; P170-F173 HydrophobicContact CB-CG 4.47Å; P170-F173 HydrophobicContact CG-CD1 3.84Å; P170-F173 HydrophobicContact CG-CE1 3.62Å; P170-F173 HydrophobicContact CG-CZ 4.12Å; P170-F173 VanDerWaalsContact O-CB 3.29Å; P170-F173 WeakPolarHBondContact O-CB 3.3Å; P170-F173 PolarHBondContact O-N 3.14Å; P170-D198 WeakPolarHBondContact CA-OD2 3.5Å
171	A	96.1	Very high	97	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-39	-178.7	0	0	0	0	0	113	V169 F173 R178 N197 D198 V257 I433	V169-A171 PolarHBondContact O-N 3.07Å; A171-F173 PolarHBondContact O-N 3.12Å; A171-F173 VanDerWaalsContact O-N 3.17Å; A171-R178 PolarHBondContact O-NH2 2.82Å; A171-R178 VanDerWaalsContact O-NH2 3.15Å; A171-N197 HydrophobicContact CB-CB 4.25Å; A171-D198 PolarHBondContact N-OD1 2.96Å; A171-V257 HydrophobicContact CB-CG1 4.28Å; A171-I433 HydrophobicContact CB-CD1 4.5Å; A171-I433 HydrophobicContact CB-CG1 4.47Å; A171-I433 WeakPolarHBondContact O-CG1 3.5Å
172	F	96.2	Very high	97.3	Very high	8 Å²	8	13.9 Å²	13.9	4%	0.035	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	5.6	177.3	58.9	-112	0	0	0	115.5	P170 N174 S230 F259 R261 F434	P170-F172 HydrophobicContact CB-CD1 4.23Å; P170-F172 HydrophobicContact CB-CD2 3.95Å; P170-F172 HydrophobicContact CB-CE1 3.86Å; P170-F172 HydrophobicContact CB-CE2 3.55Å; P170-F172 HydrophobicContact CB-CG 4.28Å; P170-F172 HydrophobicContact CB-CZ 3.51Å; P170-F172 HydrophobicContact CG-CE2 4.24Å; P170-F172 HydrophobicContact CG-CZ 4.2Å; P170-F172 PolarHBondContact O-N 3.2Å; F172-N174 PolarHBondContact O-N 3.29Å; F172-S230 WeakPolarHBondContact CZ-OG 3.36Å; F172-F259 HydrophobicContact CB-CD1 3.8Å; F172-F259 HydrophobicContact CB-CD2 3.78Å; F172-F259 HydrophobicContact CB-CE1 3.7Å; F172-F259 HydrophobicContact CB-CE2 3.7Å; F172-F259 HydrophobicContact CB-CG 3.83Å; F172-F259 HydrophobicContact CB-CZ 3.64Å; F172-F259 HydrophobicContact CD1-CB 3.84Å; F172-F259 HydrophobicContact CD1-CD1 4.49Å; F172-F259 AromaticContact CD1-CD2 3.87Å; F172-F259 HydrophobicContact CD1-CD2 3.87Å; F172-F259 AromaticContact CD1-CG 3.82Å; F172-F259 HydrophobicContact CD1-CG 3.82Å; F172-F259 HydrophobicContact CG-CD2 4.03Å; F172-F259 HydrophobicContact CG-CE2 4.28Å; F172-F259 HydrophobicContact CG-CG 4.21Å; F172-R261 HydrophobicContact CD1-CG 4.26Å; F172-R261 HydrophobicContact CD2-CG 3.88Å; F172-R261 HydrophobicContact CE1-CG 4.34Å; F172-R261 HydrophobicContact CE2-CG 3.97Å; F172-R261 HydrophobicContact CG-CG 4.03Å; F172-R261 HydrophobicContact CZ-CG 4.2Å; F172-R261 PolarHBondContact O-NH1 2.76Å; F172-F434 HydrophobicContact CB-CZ 4.38Å; F172-F434 VanDerWaalsContact O-CE2 3.26Å; F172-F434 WeakPolarHBondContact O-CE2 3.39Å; F172-F434 VanDerWaalsContact O-CZ 3.25Å; F172-F434 WeakPolarHBondContact O-CZ 3.47Å
173	F	97.7	Very high	97.5	Very high	7 Å²	7	14.7 Å²	14.7	3%	0.031	7%	0.07	C	C	.	.			trans	-68.9	122.9	172.7	-90.9	25.1	0	0	0	111.2	Q94 L97 V169 P170 A171 E177 R178 V181	Q94-F173 HydrophobicContact CB-CZ 4.44Å; L97-F173 HydrophobicContact CD1-CE2 4.13Å; L97-F173 HydrophobicContact CD1-CZ 4.35Å; V169-F173 HydrophobicContact CB-CB 4.5Å; V169-F173 HydrophobicContact CB-CD2 3.94Å; V169-F173 HydrophobicContact CB-CG 4.37Å; V169-F173 HydrophobicContact CG1-CD2 4.14Å; P170-F173 HydrophobicContact CB-CD1 3.78Å; P170-F173 HydrophobicContact CB-CE1 4.04Å; P170-F173 HydrophobicContact CB-CG 4.47Å; P170-F173 HydrophobicContact CG-CD1 3.84Å; P170-F173 HydrophobicContact CG-CE1 3.62Å; P170-F173 HydrophobicContact CG-CZ 4.12Å; P170-F173 VanDerWaalsContact O-CB 3.29Å; P170-F173 WeakPolarHBondContact O-CB 3.3Å; P170-F173 PolarHBondContact O-N 3.14Å; A171-F173 PolarHBondContact O-N 3.12Å; A171-F173 VanDerWaalsContact O-N 3.17Å; F173-E177 WeakPolarHBondContact CA-OE2 3.47Å; F173-E177 HydrophobicContact CB-CB 3.94Å; F173-E177 HydrophobicContact CD1-CB 4.22Å; F173-E177 HydrophobicContact CD2-CB 3.69Å; F173-E177 HydrophobicContact CE2-CB 4.17Å; F173-E177 HydrophobicContact CG-CB 3.71Å; F173-R178 HydrophobicContact CB-CG 4.09Å; F173-R178 PolarHBondContact O-NE 3.21Å; F173-R178 PolarHBondContact O-NH2 2.79Å; F173-V181 HydrophobicContact CD2-CG2 4.45Å; F173-V181 HydrophobicContact CE2-CG2 4.04Å
174	N	97.3	Very high	97.8	Very high	6 Å²	6	9.8 Å²	9.8	3%	0.032	5%	0.049	C	C	.	.			trans	-80.2	-179.6	176.4	83.5	18.6	0	0	0	112.1	F172 A176 E177 R178 F434 Y488 F502	F172-N174 PolarHBondContact O-N 3.29Å; N174-A176 PolarHBondContact O-N 3.04Å; N174-A176 PolarHBondContact OD1-N 3.24Å; N174-E177 PolarHBondContact N-OE2 3.03Å; N174-E177 PolarHBondContact O-N 3.4Å; N174-E177 PolarHBondContact OD1-N 3.39Å; N174-E177 VanDerWaalsContact OD1-N 3.13Å; N174-R178 WeakPolarHBondContact O-CG 3.46Å; N174-R178 PolarHBondContact O-N 3.04Å; N174-F434 HydrophobicContact CB-CD2 4.12Å; N174-F434 HydrophobicContact CB-CE2 3.97Å; N174-Y488 WeakPolarHBondContact CB-OH 3.32Å; N174-F502 HydrophobicContact CB-CE2 3.9Å; N174-F502 HydrophobicContact CB-CZ 3.92Å; N174-F502 PolarHBondContact ND2-O 2.99Å
175	Q	97.7	Very high	97.9	Very high	15 Å²	15	7.9 Å²	7.9	7%	0.07	4%	0.039	C	C	.	.	H	α-helix	trans	-58.6	-44	-175.2	-65	-61.8	-53.1	0	0	113.2	R178 R179 I436 Y488 L507 G540	Q175-R178 PolarHBondContact O-N 3.04Å; Q175-R179 WeakPolarHBondContact O-CG 3.48Å; Q175-R179 PolarHBondContact O-N 3.37Å; Q175-I436 HydrophobicContact CG-CD1 4.34Å; Q175-Y488 WeakPolarHBondContact CB-OH 3.49Å; Q175-Y488 HydrophobicContact CG-CE1 4.41Å; Q175-Y488 WeakPolarHBondContact CG-OH 3.3Å; Q175-Y488 PolarHBondContact N-OH 3.05Å; Q175-L507 HydrophobicContact CB-CD2 3.89Å; Q175-L507 HydrophobicContact CG-CD1 4.24Å; Q175-L507 HydrophobicContact CG-CD2 4.08Å; Q175-G540 PolarHBondContact NE2-O 3.17Å
176	A	97.4	Very high	97.9	Very high	7 Å²	7	12.7 Å²	12.7	6%	0.058	6%	0.061	C	C	.	.	H	α-helix	trans	-69.7	-37.5	179.5	0	0	0	0	0	112.1	N174 R178 R179 A180 I682	N174-A176 PolarHBondContact O-N 3.04Å; N174-A176 PolarHBondContact OD1-N 3.24Å; A176-R178 VanDerWaalsContact C-N 3.35Å; A176-R179 PolarHBondContact O-N 3.27Å; A176-A180 WeakPolarHBondContact O-CB 3.24Å; A176-A180 PolarHBondContact O-N 3Å; A176-I682 HydrophobicContact CB-CB 4.08Å; A176-I682 HydrophobicContact CB-CG1 3.7Å
177	E	98.1	Very high	97.8	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-63.8	-39.3	174.8	-64.8	173.3	138.5	0	0	111.2	K99 F173 N174 V181 R261	K99-E177 WeakPolarHBondContact CE-OE1 3.29Å; K99-E177 IonicContact NZ-OE1 2.72Å; K99-E177 PolarHBondContact NZ-OE1 2.7Å; F173-E177 WeakPolarHBondContact CA-OE2 3.47Å; F173-E177 HydrophobicContact CB-CB 3.94Å; F173-E177 HydrophobicContact CD1-CB 4.22Å; F173-E177 HydrophobicContact CD2-CB 3.69Å; F173-E177 HydrophobicContact CE2-CB 4.17Å; F173-E177 HydrophobicContact CG-CB 3.71Å; N174-E177 PolarHBondContact N-OE2 3.03Å; N174-E177 PolarHBondContact O-N 3.4Å; N174-E177 PolarHBondContact OD1-N 3.39Å; N174-E177 VanDerWaalsContact OD1-N 3.13Å; E177-V181 PolarHBondContact O-N 3.02Å; E177-R261 IonicContact OE1-CZ 3.81Å; E177-R261 IonicContact OE1-NH1 2.86Å; E177-R261 PolarHBondContact OE1-NH1 2.75Å; E177-R261 VanDerWaalsContact OE1-NH1 3.11Å; E177-R261 IonicContact OE1-NH2 3.32Å; E177-R261 PolarHBondContact OE1-NH2 3.38Å; E177-R261 IonicContact OE2-CZ 3.13Å; E177-R261 IonicContact OE2-NH1 3.67Å; E177-R261 PolarHBondContact OE2-NH1 2.99Å; E177-R261 IonicContact OE2-NH2 2.91Å
178	R	98.4	Very high	97.7	Very high	10 Å²	10	13.4 Å²	13.4	4%	0.038	7%	0.065	C	C	.	.	H	α-helix	trans	-68.1	-47.6	174.4	-70	176.2	-170.1	-96.1	-14.1	112.7	A171 F173 N174 Q175 A176 A180 V181 L182 L195 N197 S539 V541	A171-R178 PolarHBondContact O-NH2 2.82Å; A171-R178 VanDerWaalsContact O-NH2 3.15Å; F173-R178 HydrophobicContact CB-CG 4.09Å; F173-R178 PolarHBondContact O-NE 3.21Å; F173-R178 PolarHBondContact O-NH2 2.79Å; N174-R178 WeakPolarHBondContact O-CG 3.46Å; N174-R178 PolarHBondContact O-N 3.04Å; Q175-R178 PolarHBondContact O-N 3.04Å; A176-R178 VanDerWaalsContact C-N 3.35Å; R178-A180 VanDerWaalsContact C-N 3.29Å; R178-A180 PolarHBondContact O-N 3.12Å; R178-V181 PolarHBondContact O-N 3.01Å; R178-V181 VanDerWaalsContact O-N 3.13Å; R178-L182 PolarHBondContact O-N 2.98Å; R178-L195 HydrophobicContact CB-CD1 4.04Å; R178-L195 HydrophobicContact CG-CD1 4.4Å; R178-N197 VanDerWaalsContact CZ-OD1 3.28Å; R178-N197 PolarHBondContact NH1-OD1 2.7Å; R178-N197 PolarHBondContact NH2-OD1 2.67Å; R178-S539 PolarHBondContact NH1-O 3.43Å; R178-V541 HydrophobicContact CB-CG2 4.13Å
179	R	97.8	Very high	97.5	Very high	34 Å²	34	15.9 Å²	15.9	13%	0.128	8%	0.078	C	C	.	.	H	α-helix	trans	-60.6	-38.3	177.9	-65.9	-165.9	-41.2	-94.1	8.8	111.7	Q175 A176 V181 L182 H183 D681 I682 D684	Q175-R179 WeakPolarHBondContact O-CG 3.48Å; Q175-R179 PolarHBondContact O-N 3.37Å; A176-R179 PolarHBondContact O-N 3.27Å; R179-V181 VanDerWaalsContact C-N 3.32Å; R179-V181 PolarHBondContact O-N 2.82Å; R179-L182 WeakPolarHBondContact O-CB 3.41Å; R179-L182 PolarHBondContact O-N 2.91Å; R179-L182 VanDerWaalsContact O-N 3.1Å; R179-H183 PolarHBondContact O-CE1 3.19Å; R179-H183 VanDerWaalsContact O-CG 3.26Å; R179-H183 PolarHBondContact O-N 3.37Å; R179-H183 PolarHBondContact O-ND1 3.08Å; R179-H183 VanDerWaalsContact O-ND1 3.11Å; R179-D681 IonicContact CZ-OD1 3.85Å; R179-D681 IonicContact CZ-OD2 3.95Å; R179-D681 IonicContact NH1-OD1 3.29Å; R179-D681 IonicContact NH1-OD2 3.85Å; R179-D681 PolarHBondContact NH1-OD2 3.27Å; R179-D681 IonicContact NH2-OD1 3.69Å; R179-D681 PolarHBondContact NH2-OD1 2.66Å; R179-D681 IonicContact NH2-OD2 3.55Å; R179-D681 PolarHBondContact NH2-OD2 2.83Å; R179-I682 PolarHBondContact NH2-O 2.71Å; R179-D684 IonicContact CZ-OD1 3.55Å; R179-D684 IonicContact CZ-OD2 3.52Å; R179-D684 VanDerWaalsContact NE-CG 3.35Å; R179-D684 IonicContact NE-OD1 2.74Å; R179-D684 PolarHBondContact NE-OD1 3.31Å; R179-D684 IonicContact NE-OD2 3.85Å; R179-D684 PolarHBondContact NE-OD2 2.99Å; R179-D684 VanDerWaalsContact NE-OD2 3.14Å; R179-D684 IonicContact NH2-OD1 3.53Å; R179-D684 PolarHBondContact NH2-OD1 3.37Å; R179-D684 IonicContact NH2-OD2 2.67Å
180	A	98.1	Very high	97.4	Very high	2 Å²	2	16.3 Å²	16.3	2%	0.017	8%	0.081	C	C	.	.	H	α-helix	trans	-59	-36.9	174.6	0	0	0	0	0	113.8	L97 E140 A176 R178 A184	L97-A180 HydrophobicContact CB-CB 3.92Å; L97-A180 HydrophobicContact CD2-CB 4.21Å; E140-A180 HydrophobicContact CG-CB 3.94Å; A176-A180 WeakPolarHBondContact O-CB 3.24Å; A176-A180 PolarHBondContact O-N 3Å; R178-A180 VanDerWaalsContact C-N 3.29Å; R178-A180 PolarHBondContact O-N 3.12Å; A180-A184 PolarHBondContact O-N 3.21Å; A180-A184 VanDerWaalsContact O-N 3.14Å
181	V	98.6	Very high	97.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-68.9	-38.9	173.4	178.5	0	0	0	0	111.5	L33 L97 L143 I167 V169 F173 E177 R178 R179 A184 A185 L195	L33-V181 HydrophobicContact CD2-CG1 4.08Å; L33-V181 HydrophobicContact CD2-CG2 4.36Å; L97-V181 HydrophobicContact CD1-CG2 3.86Å; L143-V181 HydrophobicContact CD2-CG2 4.41Å; I167-V181 HydrophobicContact CG2-CG1 4.04Å; V169-V181 HydrophobicContact CG1-CB 4.41Å; V169-V181 HydrophobicContact CG1-CG1 4.24Å; V169-V181 HydrophobicContact CG1-CG2 4.08Å; F173-V181 HydrophobicContact CD2-CG2 4.45Å; F173-V181 HydrophobicContact CE2-CG2 4.04Å; E177-V181 PolarHBondContact O-N 3.02Å; R178-V181 PolarHBondContact O-N 3.01Å; R178-V181 VanDerWaalsContact O-N 3.13Å; R179-V181 VanDerWaalsContact C-N 3.32Å; R179-V181 PolarHBondContact O-N 2.82Å; V181-A184 PolarHBondContact O-N 3.13Å; V181-A185 PolarHBondContact O-N 2.84Å; V181-L195 HydrophobicContact CB-CD1 4.39Å; V181-L195 HydrophobicContact CG1-CD2 3.81Å
182	L	98.5	Very high	97.5	Very high	49 Å²	49	23 Å²	23	26%	0.257	11%	0.111	S	C	.	.	H	α-helix	trans	-62.4	-44	174.8	-64.8	178.5	0	0	0	111.9	R178 R179 A184 A185 Q186 V192 L195 V541	R178-L182 PolarHBondContact O-N 2.98Å; R179-L182 WeakPolarHBondContact O-CB 3.41Å; R179-L182 PolarHBondContact O-N 2.91Å; R179-L182 VanDerWaalsContact O-N 3.1Å; L182-A184 PolarHBondContact O-N 3.28Å; L182-A185 PolarHBondContact O-N 3.35Å; L182-Q186 WeakPolarHBondContact O-CB 3.23Å; L182-Q186 PolarHBondContact O-N 3.1Å; L182-V192 HydrophobicContact CD2-CB 4.03Å; L182-V192 HydrophobicContact CD2-CG1 3.92Å; L182-V192 HydrophobicContact CD2-CG2 4.11Å; L182-L195 HydrophobicContact CD2-CD1 3.89Å; L182-L195 HydrophobicContact CD2-CD2 4.09Å; L182-L195 HydrophobicContact CD2-CG 3.85Å; L182-L195 HydrophobicContact CG-CD1 3.96Å; L182-L195 HydrophobicContact CG-CG 4.47Å; L182-V541 HydrophobicContact CD1-CG2 4.29Å
183	H	97.9	Very high	97.6	Very high	18 Å²	18	24.3 Å²	24.3	8%	0.083	12%	0.119	C	C	.	.	H	α-helix	trans	-61.3	-43.7	176.4	-57.4	140.8	0	0	0	111.8	R179 A185 Q186 M187 D684 P685 L690	R179-H183 PolarHBondContact O-CE1 3.19Å; R179-H183 VanDerWaalsContact O-CG 3.26Å; R179-H183 PolarHBondContact O-N 3.37Å; R179-H183 PolarHBondContact O-ND1 3.08Å; R179-H183 VanDerWaalsContact O-ND1 3.11Å; H183-A185 VanDerWaalsContact C-N 3.34Å; H183-A185 PolarHBondContact O-N 2.71Å; H183-Q186 PolarHBondContact O-N 2.73Å; H183-M187 VanDerWaalsContact O-CG 3.31Å; H183-M187 WeakPolarHBondContact O-CG 3.49Å; H183-M187 PolarHBondContact O-N 3.41Å; H183-D684 IonicContact CE1-OD1 3.35Å; H183-D684 PolarHBondContact CE1-OD1 2.93Å; H183-D684 IonicContact NE2-OD1 2.63Å; H183-P685 HydrophobicContact CB-CG 4.42Å; H183-P685 VanDerWaalsContact CE1-CD 3.46Å; H183-P685 WeakPolarHBondContact CE1-CD 3.38Å; H183-L690 HydrophobicContact CB-CD2 4.43Å
184	A	98.4	Very high	97.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-60.4	-41.1	175.6	0	0	0	0	0	112.5	E140 L143 G144 L147 A180 V181 L182 M187 A188	E140-A184 HydrophobicContact CB-CB 4.48Å; E140-A184 VanDerWaalsContact O-CB 3.24Å; E140-A184 WeakPolarHBondContact O-CB 3.35Å; L143-A184 HydrophobicContact CB-CB 3.89Å; L143-A184 HydrophobicContact CD2-CB 3.7Å; L143-A184 HydrophobicContact CG-CB 3.69Å; G144-A184 WeakPolarHBondContact CA-O 3.4Å; L147-A184 HydrophobicContact CD1-CB 4.07Å; A180-A184 PolarHBondContact O-N 3.21Å; A180-A184 VanDerWaalsContact O-N 3.14Å; V181-A184 PolarHBondContact O-N 3.13Å; L182-A184 PolarHBondContact O-N 3.28Å; A184-M187 PolarHBondContact O-N 3.38Å; A184-A188 PolarHBondContact O-N 3.49Å; A184-A188 VanDerWaalsContact O-N 3.1Å
185	A	98.3	Very high	97.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-68.1	-37.8	175.8	0	0	0	0	0	112.7	L147 I167 V181 L182 H183 A188 D189 L190 V192	L147-A185 HydrophobicContact CD1-CB 4.15Å; I167-A185 HydrophobicContact CD1-CB 3.88Å; V181-A185 PolarHBondContact O-N 2.84Å; L182-A185 PolarHBondContact O-N 3.35Å; H183-A185 VanDerWaalsContact C-N 3.34Å; H183-A185 PolarHBondContact O-N 2.71Å; A185-A188 CarbonylContact O-C 3.56Å; A185-A188 WeakPolarHBondContact O-CA 3.36Å; A185-A188 WeakPolarHBondContact O-CB 3.28Å; A185-A188 PolarHBondContact O-N 3.17Å; A185-A188 VanDerWaalsContact O-N 3.13Å; A185-D189 PolarHBondContact O-N 3.09Å; A185-L190 HydrophobicContact CB-CB 4.34Å; A185-L190 PolarHBondContact O-N 2.9Å; A185-V192 HydrophobicContact CB-CG2 3.43Å; A185-V192 VanDerWaalsContact CB-CG2 3.43Å
186	Q	97.2	Very high	97.7	Very high	101 Å²	101	23.4 Å²	23.4	47%	0.472	12%	0.115	S	C	.	.	H	α-helix	trans	-64.5	-40.5	175.3	-173.9	179	4.5	0	0	112.1	L182 H183 A188 D189	L182-Q186 WeakPolarHBondContact O-CB 3.23Å; L182-Q186 PolarHBondContact O-N 3.1Å; H183-Q186 PolarHBondContact O-N 2.73Å; Q186-A188 VanDerWaalsContact C-N 3.27Å; Q186-A188 PolarHBondContact O-N 3.12Å; Q186-D189 PolarHBondContact O-N 3.19Å
187	M	97	Very high	97.8	Very high	12 Å²	12	23.1 Å²	23.1	6%	0.059	11%	0.112	C	C	.	.	H	α-helix	trans	-62.4	-34.3	171.4	-67.6	174.1	-171.1	0	0	111.9	E140 E141 H183 A184 D189 L690 L697	E140-M187 HydrophobicContact CB-CE 4.36Å; E141-M187 HydrophobicContact CB-SD 4.41Å; E141-M187 HydrophobicContact CG-CE 4.24Å; E141-M187 HydrophobicContact CG-SD 3.71Å; H183-M187 VanDerWaalsContact O-CG 3.31Å; H183-M187 WeakPolarHBondContact O-CG 3.49Å; H183-M187 PolarHBondContact O-N 3.41Å; A184-M187 PolarHBondContact O-N 3.38Å; M187-D189 VanDerWaalsContact C-N 3.27Å; M187-D189 PolarHBondContact O-N 3.13Å; M187-L690 HydrophobicContact CE-CD2 3.93Å; M187-L690 HydrophobicContact CG-CD2 4.28Å; M187-L697 HydrophobicContact CB-CD1 4.08Å
188	A	96.3	Very high	97.8	Very high	3 Å²	3	24.2 Å²	24.2	3%	0.025	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	1.8	175.8	0	0	0	0	0	114.9	L147 N148 R151 A184 A185 Q186 L190	L147-A188 HydrophobicContact CB-CB 3.82Å; N148-A188 HydrophobicContact CB-CB 4.17Å; R151-A188 PolarHBondContact NH1-O 3.42Å; R151-A188 PolarHBondContact NH2-O 2.83Å; A184-A188 PolarHBondContact O-N 3.49Å; A184-A188 VanDerWaalsContact O-N 3.1Å; A185-A188 CarbonylContact O-C 3.56Å; A185-A188 WeakPolarHBondContact O-CA 3.36Å; A185-A188 WeakPolarHBondContact O-CB 3.28Å; A185-A188 PolarHBondContact O-N 3.17Å; A185-A188 VanDerWaalsContact O-N 3.13Å; Q186-A188 VanDerWaalsContact C-N 3.27Å; Q186-A188 PolarHBondContact O-N 3.12Å; A188-L190 VanDerWaalsContact C-N 3.26Å; A188-L190 HydrophobicContact CB-CD1 4.14Å; A188-L190 HydrophobicContact CB-CG 4.37Å; A188-L190 PolarHBondContact O-N 2.91Å
189	D	94.4	Very high	97.7	Very high	52 Å²	52	24 Å²	24	28%	0.278	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	37.9	-172.7	-165.8	70.3	0	0	0	113.3	R151 K163 A185 Q186 M187 K694	R151-D189 PolarHBondContact NH1-O 2.86Å; R151-D189 VanDerWaalsContact NH1-O 3.15Å; R151-D189 IonicContact NH1-OD2 2.79Å; R151-D189 PolarHBondContact NH1-OD2 2.97Å; K163-D189 IonicContact NZ-OD2 3.95Å; K163-D189 PolarHBondContact NZ-OD2 3.37Å; A185-D189 PolarHBondContact O-N 3.09Å; Q186-D189 PolarHBondContact O-N 3.19Å; M187-D189 VanDerWaalsContact C-N 3.27Å; M187-D189 PolarHBondContact O-N 3.13Å; D189-K694 IonicContact OD1-NZ 2.71Å; D189-K694 PolarHBondContact OD1-NZ 2.78Å
190	L	96.6	Very high	97.8	Very high	11 Å²	11	22.4 Å²	22.4	6%	0.058	11%	0.111	C	C	.	.			trans	-103.7	132	172.6	-75.6	168.3	0	0	0	110.9	M29 L147 R151 T165 A185 A188 V192	M29-L190 HydrophobicContact SD-CD2 4.25Å; L147-L190 HydrophobicContact CB-CD1 4.01Å; R151-L190 HydrophobicContact CB-CD2 4.24Å; R151-L190 HydrophobicContact CG-CD2 4.15Å; T165-L190 HydrophobicContact CG2-CB 3.92Å; T165-L190 HydrophobicContact CG2-CD1 4.31Å; T165-L190 HydrophobicContact CG2-CD2 4.07Å; T165-L190 HydrophobicContact CG2-CG 4.34Å; A185-L190 HydrophobicContact CB-CB 4.34Å; A185-L190 PolarHBondContact O-N 2.9Å; A188-L190 VanDerWaalsContact C-N 3.26Å; A188-L190 HydrophobicContact CB-CD1 4.14Å; A188-L190 HydrophobicContact CB-CG 4.37Å; A188-L190 PolarHBondContact O-N 2.91Å; L190-V192 PolarHBondContact O-N 3.06Å
191	K	96.8	Very high	97.8	Very high	113 Å²	113	22.3 Å²	22.3	49%	0.491	11%	0.11	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	102.3	168.9	169.5	161.9	154.6	-88.6	0	108.5	K163 D164 T165 L193	K163-K191 PolarHBondContact O-N 3.37Å; D164-K191 WeakPolarHBondContact CA-O 3.42Å; D164-K191 WeakPolarHBondContact OD1-CB 3.39Å; D164-K191 WeakPolarHBondContact OD1-CD 3.47Å; D164-K191 WeakPolarHBondContact OD1-CG 3.38Å; D164-K191 IonicContact OD1-NZ 2.75Å; D164-K191 PolarHBondContact OD1-NZ 3.34Å; D164-K191 IonicContact OD2-NZ 2.68Å; D164-K191 PolarHBondContact OD2-NZ 3.37Å; T165-K191 PolarHBondContact N-O 2.99Å; K191-L193 PolarHBondContact O-N 2.79Å
192	V	98.3	Very high	97.8	Very high	34 Å²	34	22.4 Å²	22.4	21%	0.206	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	116.9	172.2	-178.7	0	0	0	0	108.5	T165 I167 L182 A185 L190 Q194 L195	T165-V192 HydrophobicContact CG2-CG2 4.33Å; T165-V192 CarbonylContact O-C 3.54Å; T165-V192 WeakPolarHBondContact O-CA 3.47Å; I167-V192 HydrophobicContact CD1-CG2 3.92Å; L182-V192 HydrophobicContact CD2-CB 4.03Å; L182-V192 HydrophobicContact CD2-CG1 3.92Å; L182-V192 HydrophobicContact CD2-CG2 4.11Å; A185-V192 HydrophobicContact CB-CG2 3.43Å; A185-V192 VanDerWaalsContact CB-CG2 3.43Å; L190-V192 PolarHBondContact O-N 3.06Å; V192-Q194 VanDerWaalsContact CG1-C 3.45Å; V192-Q194 WeakPolarHBondContact CG1-O 3.36Å; V192-L195 HydrophobicContact CG1-CD2 3.86Å; V192-L195 HydrophobicContact CG1-CG 4.26Å
193	L	97.9	Very high	97.8	Very high	37 Å²	37	20 Å²	20	19%	0.194	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	-37.5	170.5	-64.6	-179	0	0	0	110.8	D164 T165 V166 K191 L417	D164-L193 HydrophobicContact CB-CD1 4.06Å; D164-L193 HydrophobicContact CB-CD2 4.23Å; D164-L193 HydrophobicContact CB-CG 4.12Å; T165-L193 PolarHBondContact O-N 3.28Å; V166-L193 HydrophobicContact CG2-CB 3.98Å; K191-L193 PolarHBondContact O-N 2.79Å; L193-L417 HydrophobicContact CB-CB 4.3Å; L193-L417 HydrophobicContact CB-CD1 3.9Å; L193-L417 HydrophobicContact CD1-CB 4.06Å
194	Q	98.5	Very high	97.8	Very high	9 Å²	9	19.2 Å²	19.2	4%	0.042	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	145.8	177	-166.2	-177.5	-0.8	0	0	110.3	V166 I167 V192 L417 E538	V166-Q194 HydrophobicContact CG1-CB 4.49Å; V166-Q194 HydrophobicContact CG2-CB 4.27Å; I167-Q194 PolarHBondContact N-O 2.73Å; V192-Q194 VanDerWaalsContact CG1-C 3.45Å; V192-Q194 WeakPolarHBondContact CG1-O 3.36Å; Q194-L417 HydrophobicContact CB-CD1 3.73Å; Q194-E538 HydrophobicContact CG-CB 4.05Å; Q194-E538 WeakPolarHBondContact CG-O 3.47Å; Q194-E538 PolarHBondContact NE2-O 3.38Å
195	L	98.8	Very high	97.8	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	106.6	153.6	-59.1	-178.2	0	0	0	109	I167 V169 R178 V181 L182 V192 S539	I167-L195 HydrophobicContact CB-CD2 3.93Å; I167-L195 HydrophobicContact CG2-CD2 4.46Å; I167-L195 WeakPolarHBondContact O-CA 3.49Å; V169-L195 HydrophobicContact CG1-CB 4.38Å; V169-L195 HydrophobicContact CG1-CD1 4.22Å; V169-L195 HydrophobicContact CG1-CD2 4.28Å; V169-L195 HydrophobicContact CG2-CB 4.25Å; R178-L195 HydrophobicContact CB-CD1 4.04Å; R178-L195 HydrophobicContact CG-CD1 4.4Å; V181-L195 HydrophobicContact CB-CD1 4.39Å; V181-L195 HydrophobicContact CG1-CD2 3.81Å; L182-L195 HydrophobicContact CD2-CD1 3.89Å; L182-L195 HydrophobicContact CD2-CD2 4.09Å; L182-L195 HydrophobicContact CD2-CG 3.85Å; L182-L195 HydrophobicContact CG-CD1 3.96Å; L182-L195 HydrophobicContact CG-CG 4.47Å; V192-L195 HydrophobicContact CG1-CD2 3.86Å; V192-L195 HydrophobicContact CG1-CG 4.26Å; L195-S539 PolarHBondContact N-OG 2.71Å; L195-S539 VanDerWaalsContact N-OG 3.15Å; L195-S539 WeakPolarHBondContact O-CA 3.48Å
196	I	98.7	Very high	97.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	143.7	176.1	-167.6	169	0	0	0	109.4	V166 I167 T168 V169 T200 A201 L204 A410 Q413	V166-I196 HydrophobicContact CG1-CB 4.02Å; V166-I196 HydrophobicContact CG1-CG2 3.56Å; I167-I196 PolarHBondContact O-N 3.37Å; I167-I196 VanDerWaalsContact O-N 3.08Å; T168-I196 CarbonylContact C-O 3.59Å; T168-I196 VanDerWaalsContact CA-O 3.29Å; T168-I196 WeakPolarHBondContact CA-O 3.41Å; T168-I196 HydrophobicContact CG2-CG2 4.01Å; V169-I196 PolarHBondContact N-O 3.01Å; I196-T200 HydrophobicContact CD1-CG2 4.29Å; I196-T200 HydrophobicContact CG1-CG2 4.18Å; I196-A201 HydrophobicContact CD1-CB 3.93Å; I196-A201 HydrophobicContact CG1-CB 4.25Å; I196-A201 HydrophobicContact CG2-CB 4Å; I196-L204 HydrophobicContact CD1-CD2 4.28Å; I196-A410 HydrophobicContact CG2-CB 3.99Å; I196-Q413 HydrophobicContact CD1-CB 4.23Å; I196-Q413 HydrophobicContact CD1-CG 4.22Å
197	N	98.7	Very high	97.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	139.5	171	-61	-27.6	0	0	0	109.6	V169 A171 R178 N199 T200 A201 D430 Y467	V169-N197 CarbonylContact O-C 3.58Å; V169-N197 VanDerWaalsContact O-CA 3.32Å; V169-N197 WeakPolarHBondContact O-CA 3.49Å; A171-N197 HydrophobicContact CB-CB 4.25Å; R178-N197 VanDerWaalsContact CZ-OD1 3.28Å; R178-N197 PolarHBondContact NH1-OD1 2.7Å; R178-N197 PolarHBondContact NH2-OD1 2.67Å; N197-N199 WeakPolarHBondContact CB-OD1 3.37Å; N197-N199 PolarHBondContact O-N 2.97Å; N197-T200 WeakPolarHBondContact O-CB 3.37Å; N197-T200 PolarHBondContact O-N 3.26Å; N197-A201 PolarHBondContact O-N 3.34Å; N197-D430 PolarHBondContact ND2-OD1 3.43Å; N197-D430 PolarHBondContact ND2-OD2 2.75Å; N197-Y467 PolarHBondContact ND2-OH 3.25Å
198	D	97.8	Very high	97.7	Very high	23 Å²	23	17 Å²	17	12%	0.123	9%	0.086	C	C	.	.	H	α-helix	trans	-54.3	-49	-178.9	54.3	-3.4	0	0	0	112.7	V169 P170 A171 T200 A201 V202	V169-D198 PolarHBondContact O-N 2.94Å; P170-D198 WeakPolarHBondContact CA-OD2 3.5Å; A171-D198 PolarHBondContact N-OD1 2.96Å; D198-T200 VanDerWaalsContact C-N 3.34Å; D198-T200 PolarHBondContact O-N 3.32Å; D198-A201 PolarHBondContact O-N 3.26Å; D198-V202 WeakPolarHBondContact O-CG2 3.45Å; D198-V202 PolarHBondContact O-N 3.34Å
199	N	97.8	Very high	97.6	Very high	6 Å²	6	24 Å²	24	3%	0.032	12%	0.116	C	C	.	.	H	α-helix	trans	-58.8	-38.6	173.1	65.3	-15.7	0	0	0	113.5	N197 V202 A203 T234	N197-N199 WeakPolarHBondContact CB-OD1 3.37Å; N197-N199 PolarHBondContact O-N 2.97Å; N199-V202 WeakPolarHBondContact O-CB 3.49Å; N199-A203 WeakPolarHBondContact O-CB 3.31Å; N199-A203 PolarHBondContact O-N 3.25Å; N199-T234 HydrophobicContact CB-CG2 4.07Å; N199-T234 VanDerWaalsContact CB-OG1 3.31Å; N199-T234 WeakPolarHBondContact CB-OG1 3.49Å; N199-T234 WeakPolarHBondContact ND2-CG2 3.46Å; N199-T234 PolarHBondContact ND2-OG1 3.29Å
200	T	98.6	Very high	97.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-70.6	-36.3	176.6	-61.2	0	0	0	0	111.6	I196 N197 D198 A203 L204 L252 V428 D430	I196-T200 HydrophobicContact CD1-CG2 4.29Å; I196-T200 HydrophobicContact CG1-CG2 4.18Å; N197-T200 WeakPolarHBondContact O-CB 3.37Å; N197-T200 PolarHBondContact O-N 3.26Å; D198-T200 VanDerWaalsContact C-N 3.34Å; D198-T200 PolarHBondContact O-N 3.32Å; T200-A203 PolarHBondContact O-N 3.29Å; T200-L204 VanDerWaalsContact O-CB 3.3Å; T200-L204 WeakPolarHBondContact O-CB 3.34Å; T200-L204 PolarHBondContact O-N 3.48Å; T200-L252 HydrophobicContact CG2-CD1 4.32Å; T200-V428 HydrophobicContact CG2-CG1 3.6Å; T200-D430 WeakPolarHBondContact CB-OD2 3.46Å; T200-D430 HydrophobicContact CG2-CB 4.37Å; T200-D430 WeakPolarHBondContact CG2-OD2 3.39Å; T200-D430 PolarHBondContact OG1-OD1 3.42Å; T200-D430 PolarHBondContact OG1-OD2 2.96Å
201	A	98.6	Very high	97.5	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-66.4	-44.3	174.2	0	0	0	0	0	111.3	T168 I196 N197 D198 A203 L204 N205 A406 G409 A410	T168-A201 HydrophobicContact CG2-CB 4.24Å; I196-A201 HydrophobicContact CD1-CB 3.93Å; I196-A201 HydrophobicContact CG1-CB 4.25Å; I196-A201 HydrophobicContact CG2-CB 4Å; N197-A201 PolarHBondContact O-N 3.34Å; D198-A201 PolarHBondContact O-N 3.26Å; A201-A203 VanDerWaalsContact C-N 3.33Å; A201-A203 PolarHBondContact O-N 2.92Å; A201-L204 PolarHBondContact O-N 3.34Å; A201-N205 WeakPolarHBondContact O-CB 3.44Å; A201-N205 PolarHBondContact O-N 2.92Å; A201-A406 WeakPolarHBondContact CB-O 3.34Å; A201-G409 WeakPolarHBondContact O-CA 3.46Å; A201-A410 HydrophobicContact CB-CB 4.39Å
202	V	98.6	Very high	97.3	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.012	14%	0.138	C	C	.	.	H	α-helix	trans	-55.3	-47.4	170.8	165.6	0	0	0	0	111.4	D198 N199 N205 Y206 F223 V374 I400 A405 A406	D198-V202 WeakPolarHBondContact O-CG2 3.45Å; D198-V202 PolarHBondContact O-N 3.34Å; N199-V202 WeakPolarHBondContact O-CB 3.49Å; V202-N205 PolarHBondContact O-N 3.29Å; V202-Y206 PolarHBondContact O-N 2.8Å; V202-F223 HydrophobicContact CG1-CB 4.44Å; V202-F223 HydrophobicContact CG1-CD1 3.68Å; V202-F223 HydrophobicContact CG1-CE1 4.19Å; V202-F223 HydrophobicContact CG1-CG 4.09Å; V202-V374 HydrophobicContact CG1-CG1 4.24Å; V202-V374 HydrophobicContact CG1-CG2 3.84Å; V202-V374 HydrophobicContact CG2-CG1 3.98Å; V202-I400 HydrophobicContact CG1-CD1 4.24Å; V202-A405 HydrophobicContact CG1-CB 4.48Å; V202-A405 HydrophobicContact CG2-CB 4.09Å; V202-A406 HydrophobicContact CG2-CB 3.99Å
203	A	98.4	Very high	97.1	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.9	-39.1	178.4	0	0	0	0	0	112.8	N199 T200 A201 Y206 G207 F223 V236 Y238 L252	N199-A203 WeakPolarHBondContact O-CB 3.31Å; N199-A203 PolarHBondContact O-N 3.25Å; T200-A203 PolarHBondContact O-N 3.29Å; A201-A203 VanDerWaalsContact C-N 3.33Å; A201-A203 PolarHBondContact O-N 2.92Å; A203-Y206 PolarHBondContact O-N 2.88Å; A203-G207 PolarHBondContact O-N 3.48Å; A203-F223 HydrophobicContact CB-CD2 4.39Å; A203-F223 HydrophobicContact CB-CE2 4.01Å; A203-V236 HydrophobicContact CB-CG1 4.28Å; A203-V236 HydrophobicContact CB-CG2 3.89Å; A203-Y238 VanDerWaalsContact C-OH 3.31Å; A203-Y238 VanDerWaalsContact CA-OH 3.24Å; A203-Y238 WeakPolarHBondContact CA-OH 3.39Å; A203-Y238 WeakPolarHBondContact CB-OH 3.26Å; A203-Y238 PolarHBondContact O-OH 3.37Å; A203-L252 HydrophobicContact CB-CD2 4.23Å
204	L	98.4	Very high	97	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-64.5	-44.6	176	-178.9	57	0	0	0	110.8	I196 T200 A201 Y206 G207 V208 L252 Y412 Q413 F426 V428	I196-L204 HydrophobicContact CD1-CD2 4.28Å; T200-L204 VanDerWaalsContact O-CB 3.3Å; T200-L204 WeakPolarHBondContact O-CB 3.34Å; T200-L204 PolarHBondContact O-N 3.48Å; A201-L204 PolarHBondContact O-N 3.34Å; L204-Y206 PolarHBondContact O-N 2.27Å; L204-G207 PolarHBondContact O-N 3.48Å; L204-V208 HydrophobicContact CD1-CG2 3.81Å; L204-V208 HydrophobicContact CG-CG2 4.29Å; L204-V208 WeakPolarHBondContact O-CB 3.24Å; L204-V208 WeakPolarHBondContact O-CG2 3.37Å; L204-V208 PolarHBondContact O-N 2.83Å; L204-L252 VanDerWaalsContact CA-CD2 3.48Å; L204-L252 HydrophobicContact CB-CD2 3.89Å; L204-L252 HydrophobicContact CD1-CD2 4.12Å; L204-Y412 HydrophobicContact CD1-CD1 4.11Å; L204-Y412 HydrophobicContact CD1-CE1 4.24Å; L204-Y412 HydrophobicContact CD2-CD1 4.1Å; L204-Y412 HydrophobicContact CG-CD1 4.11Å; L204-Q413 HydrophobicContact CD2-CB 3.94Å; L204-F426 HydrophobicContact CD1-CB 4.25Å; L204-F426 HydrophobicContact CD1-CD1 3.69Å; L204-F426 HydrophobicContact CD1-CE1 4.3Å; L204-F426 HydrophobicContact CD1-CG 4.03Å; L204-V428 HydrophobicContact CD1-CG2 3.9Å; L204-V428 HydrophobicContact CD2-CG2 4.1Å
205	N	98.1	Very high	96.9	Very high	16 Å²	16	35.2 Å²	35.2	9%	0.086	16%	0.163	C	C	.	.	H	α-helix	trans	-58.2	-47.4	173.8	-175.8	64.9	0	0	0	111.8	A201 V202 G207 F209 A405 M408	A201-N205 WeakPolarHBondContact O-CB 3.44Å; A201-N205 PolarHBondContact O-N 2.92Å; V202-N205 PolarHBondContact O-N 3.29Å; N205-G207 PolarHBondContact O-N 3.15Å; N205-F209 WeakPolarHBondContact O-CD2 3.17Å; N205-F209 WeakPolarHBondContact OD1-CE2 3.28Å; N205-A405 HydrophobicContact CB-CB 4.49Å; N205-A405 VanDerWaalsContact CB-O 3.3Å; N205-A405 WeakPolarHBondContact CB-O 3.28Å; N205-M408 VanDerWaalsContact OD1-CB 3.26Å; N205-M408 WeakPolarHBondContact OD1-CB 3.38Å
206	Y	98	Very high	96.7	Very high	24 Å²	24	39.8 Å²	39.8	9%	0.094	20%	0.195	C	C	.	.	H	α-helix	trans	-57.1	-49.2	176.8	178.2	-91	0	0	0	112.8	V202 A203 L204 R210 V221 F223 Y238 I372	V202-Y206 PolarHBondContact O-N 2.8Å; A203-Y206 PolarHBondContact O-N 2.88Å; L204-Y206 PolarHBondContact O-N 2.27Å; Y206-R210 VanDerWaalsContact CD2-CZ 3.45Å; Y206-R210 VanDerWaalsContact CD2-NH1 3.3Å; Y206-R210 VanDerWaalsContact CZ-NE 3.31Å; Y206-R210 PolarHBondContact O-N 2.87Å; Y206-R210 PolarHBondContact O-NH1 3.07Å; Y206-R210 PolarHBondContact OH-NE 3.41Å; Y206-V221 HydrophobicContact CE1-CG2 4.14Å; Y206-F223 AromaticContact CD1-CZ 3.87Å; Y206-F223 HydrophobicContact CD1-CZ 3.87Å; Y206-F223 AromaticContact CD2-CE1 3.92Å; Y206-F223 HydrophobicContact CD2-CE1 3.92Å; Y206-F223 AromaticContact CD2-CZ 3.99Å; Y206-F223 HydrophobicContact CD2-CZ 3.99Å; Y206-F223 AromaticContact CG-CE1 3.89Å; Y206-F223 HydrophobicContact CG-CE1 3.89Å; Y206-F223 AromaticContact CG-CZ 3.56Å; Y206-F223 HydrophobicContact CG-CZ 3.56Å; Y206-Y238 HydrophobicContact CD1-CE1 4.28Å; Y206-Y238 AromaticContact CD1-CE2 3.77Å; Y206-Y238 HydrophobicContact CD1-CE2 3.77Å; Y206-Y238 AromaticContact CD1-CZ 3.6Å; Y206-Y238 WeakPolarHBondContact CD1-OH 3.34Å; Y206-Y238 HydrophobicContact CE1-CD2 4.44Å; Y206-Y238 AromaticContact CE1-CE2 3.97Å; Y206-Y238 HydrophobicContact CE1-CE2 3.97Å; Y206-I372 HydrophobicContact CD2-CD1 3.66Å; Y206-I372 HydrophobicContact CE2-CD1 3.19Å
207	G	97.2	Very high	96.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-73.4	-34.9	-175	0	0	0	0	0	114	A203 L204 N205 F209 R210 R211 F426	A203-G207 PolarHBondContact O-N 3.48Å; L204-G207 PolarHBondContact O-N 3.48Å; N205-G207 PolarHBondContact O-N 3.15Å; G207-F209 PolarHBondContact O-N 2.81Å; G207-R210 CarbonylContact O-C 3.53Å; G207-R210 PolarHBondContact O-N 3.16Å; G207-R210 VanDerWaalsContact O-N 3.15Å; G207-R211 PolarHBondContact O-N 3.29Å; G207-F426 VanDerWaalsContact C-CE2 3.46Å; G207-F426 WeakPolarHBondContact O-CE2 3.27Å
208	V	95.7	Very high	96.4	Very high	27 Å²	27	45.4 Å²	45.4	16%	0.164	23%	0.233	C	C	.	.	H	α-helix	trans	-61.5	-44.4	178.9	162.6	0	0	0	0	111.6	L204 R210 R211 Y412 F426	L204-V208 HydrophobicContact CD1-CG2 3.81Å; L204-V208 HydrophobicContact CG-CG2 4.29Å; L204-V208 WeakPolarHBondContact O-CB 3.24Å; L204-V208 WeakPolarHBondContact O-CG2 3.37Å; L204-V208 PolarHBondContact O-N 2.83Å; V208-R210 VanDerWaalsContact C-N 3.29Å; V208-R210 PolarHBondContact O-N 3.37Å; V208-R211 WeakPolarHBondContact O-CB 3.32Å; V208-Y412 HydrophobicContact CB-CE2 4.34Å; V208-Y412 HydrophobicContact CG1-CD2 3.78Å; V208-Y412 HydrophobicContact CG1-CE2 3.49Å; V208-Y412 VanDerWaalsContact CG1-CE2 3.49Å; V208-Y412 HydrophobicContact CG1-CG 4.46Å; V208-Y412 HydrophobicContact CG2-CD1 3.73Å; V208-Y412 HydrophobicContact CG2-CD2 4.09Å; V208-Y412 HydrophobicContact CG2-CE1 3.42Å; V208-Y412 VanDerWaalsContact CG2-CE1 3.42Å; V208-Y412 HydrophobicContact CG2-CE2 3.83Å; V208-Y412 HydrophobicContact CG2-CG 4.03Å; V208-Y412 VanDerWaalsContact CG2-CZ 3.45Å; V208-F426 HydrophobicContact CG2-CB 4.48Å; V208-F426 HydrophobicContact CG2-CD2 3.95Å; V208-F426 HydrophobicContact CG2-CE2 4.48Å; V208-F426 HydrophobicContact CG2-CG 4.22Å
209	F	93.2	Very high	96.4	Very high	151 Å²	151	46.4 Å²	46.4	66%	0.662	24%	0.237	S	C	*	.	H	α-helix	trans	-72.7	-20.8	177.2	-74	-68.7	0	0	0	113.3	N205 G207	N205-F209 WeakPolarHBondContact O-CD2 3.17Å; N205-F209 WeakPolarHBondContact OD1-CE2 3.28Å; G207-F209 PolarHBondContact O-N 2.81Å
210	R	95.3	Very high	96.4	Very high	48 Å²	48	47.1 Å²	47.1	18%	0.181	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	19.3	177.8	-69.9	170.9	-177	74.4	-4.5	114.2	Y206 G207 V208 K212 D213 I214 N399	Y206-R210 VanDerWaalsContact CD2-CZ 3.45Å; Y206-R210 VanDerWaalsContact CD2-NH1 3.3Å; Y206-R210 VanDerWaalsContact CZ-NE 3.31Å; Y206-R210 PolarHBondContact O-N 2.87Å; Y206-R210 PolarHBondContact O-NH1 3.07Å; Y206-R210 PolarHBondContact OH-NE 3.41Å; G207-R210 CarbonylContact O-C 3.53Å; G207-R210 PolarHBondContact O-N 3.16Å; G207-R210 VanDerWaalsContact O-N 3.15Å; V208-R210 VanDerWaalsContact C-N 3.29Å; V208-R210 PolarHBondContact O-N 3.37Å; R210-K212 PolarHBondContact O-N 2.91Å; R210-D213 VanDerWaalsContact CA-OD2 3.24Å; R210-D213 WeakPolarHBondContact CA-OD2 3.48Å; R210-D213 HydrophobicContact CB-CB 4.44Å; R210-D213 VanDerWaalsContact CB-OD2 3.3Å; R210-D213 WeakPolarHBondContact CB-OD2 3.26Å; R210-D213 WeakPolarHBondContact CG-OD2 3.37Å; R210-D213 WeakPolarHBondContact O-CB 3.36Å; R210-D213 PolarHBondContact O-N 3.34Å; R210-I214 PolarHBondContact O-N 3.19Å; R210-N399 PolarHBondContact NH2-ND2 3.44Å; R210-N399 PolarHBondContact NH2-O 2.75Å
211	R	94.5	Very high	96.4	Very high	57 Å²	57	47.3 Å²	47.3	22%	0.215	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-26.7	-177.2	171	179.6	-67.2	-100.7	4.1	114.9	G207 V208 P250 Y412 K424 P425	G207-R211 PolarHBondContact O-N 3.29Å; V208-R211 WeakPolarHBondContact O-CB 3.32Å; R211-P250 HydrophobicContact CG-CG 4.28Å; R211-Y412 PolarHBondContact NH2-OH 2.86Å; R211-K424 PolarHBondContact NH2-O 2.93Å; R211-P425 VanDerWaalsContact CZ-O 3.22Å; R211-P425 PolarHBondContact NH1-O 3.02Å; R211-P425 PolarHBondContact NH2-O 3.05Å
212	K	93.2	Very high	96.4	Very high	204 Å²	204	47.3 Å²	47.3	89%	0.887	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-22.7	177.7	-68.8	-175.4	178.4	-178.5	0	113.2	R210	R210-K212 PolarHBondContact O-N 2.91Å
213	D	93.9	Very high	96.4	Very high	96 Å²	96	47.4 Å²	47.4	51%	0.513	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-13.1	-166.7	-37.5	-42.4	0	0	0	111.2	R210 Q219	R210-D213 VanDerWaalsContact CA-OD2 3.24Å; R210-D213 WeakPolarHBondContact CA-OD2 3.48Å; R210-D213 HydrophobicContact CB-CB 4.44Å; R210-D213 VanDerWaalsContact CB-OD2 3.3Å; R210-D213 WeakPolarHBondContact CB-OD2 3.26Å; R210-D213 WeakPolarHBondContact CG-OD2 3.37Å; R210-D213 WeakPolarHBondContact O-CB 3.36Å; R210-D213 PolarHBondContact O-N 3.34Å; D213-Q219 PolarHBondContact O-NE2 2.88Å
214	I	95.9	Very high	96.4	Very high	10 Å²	10	47.4 Å²	47.4	5%	0.051	24%	0.242	C	C	.	.			trans	-85.8	114	174.4	-55.9	168.2	0	0	0	108.7	R210 Y238 Q239 T240 P250 F426	R210-I214 PolarHBondContact O-N 3.19Å; I214-Y238 HydrophobicContact CD1-CD1 3.92Å; I214-Y238 HydrophobicContact CD1-CG 4.32Å; I214-Q239 VanDerWaalsContact CG2-C 3.48Å; I214-T240 HydrophobicContact CG2-CG2 4.25Å; I214-T240 WeakPolarHBondContact O-CG2 3.4Å; I214-P250 HydrophobicContact CD1-CB 4.3Å; I214-F426 HydrophobicContact CD1-CE2 4.05Å; I214-F426 HydrophobicContact CD1-CZ 3.9Å
215	D	94.7	Very high	96.4	Very high	75 Å²	75	49 Å²	49	40%	0.401	25%	0.251	S	S	.	.			trans	-107.8	-152.6	178.1	77.6	-16.5	0	0	0	111.5	T217 Q239 T240	D215-T217 VanDerWaalsContact C-N 3.27Å; D215-T217 WeakPolarHBondContact OD1-CA 3.49Å; D215-T217 WeakPolarHBondContact OD1-CB 3.49Å; D215-T217 PolarHBondContact OD1-N 2.88Å; D215-T217 PolarHBondContact OD1-OG1 3.41Å; D215-T217 VanDerWaalsContact OD1-OG1 3.07Å; D215-T217 PolarHBondContact OD2-OG1 3.33Å; D215-T217 VanDerWaalsContact OD2-OG1 3.07Å; D215-Q239 CarbonylContact O-C 3.6Å; D215-T240 WeakPolarHBondContact O-CB 3.49Å; D215-T240 WeakPolarHBondContact O-CG2 3.4Å; D215-T240 PolarHBondContact O-N 3.36Å; D215-T240 PolarHBondContact O-OG1 2.9Å
216	S	94.7	Very high	96.4	Very high	96 Å²	96	48.2 Å²	48.2	67%	0.671	25%	0.247	S	C	*	.	S	Bend	trans	-81.1	-2.4	175.3	51.3	0	0	0	0	114.5	T240	S216-T240 PolarHBondContact N-OG1 2.89Å
217	T	95.5	Very high	96.3	Very high	82 Å²	82	47.9 Å²	47.9	50%	0.503	25%	0.251	S	S	.	.	S	Bend	trans	-90.5	140.1	-178.9	-43.2	0	0	0	0	109.5	D215 Q219	D215-T217 VanDerWaalsContact C-N 3.27Å; D215-T217 WeakPolarHBondContact OD1-CA 3.49Å; D215-T217 WeakPolarHBondContact OD1-CB 3.49Å; D215-T217 PolarHBondContact OD1-N 2.88Å; D215-T217 PolarHBondContact OD1-OG1 3.41Å; D215-T217 VanDerWaalsContact OD1-OG1 3.07Å; D215-T217 PolarHBondContact OD2-OG1 3.33Å; D215-T217 VanDerWaalsContact OD2-OG1 3.07Å; T217-Q219 PolarHBondContact O-N 3.34Å
218	A	95.6	Very high	96.3	Very high	37 Å²	37	48.6 Å²	48.6	31%	0.306	26%	0.256	S	S	.	.			trans	-81.6	96.5	-179.3	0	0	0	0	0	111.6	Y238	A218-Y238 WeakPolarHBondContact CA-O 3.39Å
219	Q	97.6	Very high	96.2	Very high	44 Å²	44	48.5 Å²	48.5	21%	0.206	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	117.8	174.4	-69.3	168.7	4.2	0	0	109.9	D213 T217 S237 Y238 E369	D213-Q219 PolarHBondContact O-NE2 2.88Å; T217-Q219 PolarHBondContact O-N 3.34Å; Q219-S237 CarbonylContact O-C 3.56Å; Q219-S237 WeakPolarHBondContact O-CA 3.44Å; Q219-Y238 PolarHBondContact N-O 2.94Å; Q219-Y238 PolarHBondContact O-N 3.1Å; Q219-E369 WeakPolarHBondContact CA-OE1 3.43Å; Q219-E369 WeakPolarHBondContact CA-OE2 3.44Å; Q219-E369 WeakPolarHBondContact CB-OE2 3.3Å
220	N	98.2	Very high	96.4	Very high	21 Å²	21	42.3 Å²	42.3	11%	0.112	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	113.2	-178	-51.8	-60.9	0	0	0	111.5	V236 S237 A367 I368 E369	N220-V236 WeakPolarHBondContact CA-O 3.2Å; N220-S237 PolarHBondContact OD1-OG 3.2Å; N220-A367 WeakPolarHBondContact CB-O 3.43Å; N220-A367 PolarHBondContact ND2-O 2.84Å; N220-I368 HydrophobicContact CB-CD1 4.33Å; N220-E369 PolarHBondContact O-N 2.87Å
221	V	98.4	Very high	96.5	Very high	3 Å²	3	40 Å²	40	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	136.4	179.6	-179.4	0	0	0	0	109.2	Y206 F223 V236 Y238 I372	Y206-V221 HydrophobicContact CE1-CG2 4.14Å; V221-F223 HydrophobicContact CB-CE2 4.29Å; V221-F223 HydrophobicContact CG1-CD2 4.45Å; V221-F223 HydrophobicContact CG1-CE1 4.33Å; V221-F223 HydrophobicContact CG1-CE2 3.88Å; V221-F223 HydrophobicContact CG1-CZ 3.8Å; V221-V236 PolarHBondContact N-O 3.5Å; V221-V236 PolarHBondContact O-N 2.95Å; V221-Y238 HydrophobicContact CB-CD2 4.5Å; V221-Y238 HydrophobicContact CB-CE2 4.09Å; V221-Y238 HydrophobicContact CG2-CD2 4.18Å; V221-Y238 HydrophobicContact CG2-CE2 4.14Å; V221-I372 HydrophobicContact CG1-CD1 3.46Å; V221-I372 VanDerWaalsContact CG1-CD1 3.46Å; V221-I372 HydrophobicContact CG1-CG1 3.96Å
222	M	98.8	Very high	96.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	125.7	170.9	-178.1	-178.8	-75.1	0	0	109.9	T234 I235 V354 L358 I368 Q370 V371 I372	M222-T234 CarbonylContact C-O 3.58Å; M222-T234 VanDerWaalsContact CA-O 3.3Å; M222-T234 WeakPolarHBondContact CA-O 3.36Å; M222-I235 HydrophobicContact CB-CG1 4.44Å; M222-I235 HydrophobicContact CE-CD1 3.79Å; M222-I235 HydrophobicContact CE-CG1 3.57Å; M222-I235 HydrophobicContact CG-CG1 4.38Å; M222-V354 HydrophobicContact CE-CG1 4Å; M222-V354 HydrophobicContact SD-CB 4.49Å; M222-V354 HydrophobicContact SD-CG1 3.99Å; M222-V354 HydrophobicContact SD-CG2 4.2Å; M222-L358 HydrophobicContact CE-CD2 4.26Å; M222-L358 HydrophobicContact CE-CG 4.09Å; M222-I368 HydrophobicContact CB-CG2 3.77Å; M222-I368 HydrophobicContact CE-CG1 4.47Å; M222-Q370 PolarHBondContact N-O 3.4Å; M222-V371 HydrophobicContact CB-CG2 4.25Å; M222-V371 HydrophobicContact CG-CG1 4.44Å; M222-V371 CarbonylContact O-C 3.57Å; M222-V371 VanDerWaalsContact O-CA 3.3Å; M222-V371 WeakPolarHBondContact O-CA 3.47Å; M222-V371 HydrophobicContact SD-CG1 4.33Å; M222-V371 HydrophobicContact SD-CG2 4.37Å; M222-I372 PolarHBondContact O-N 3.02Å
223	F	98.8	Very high	97	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.018	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	129.2	166.4	-59.8	-87.3	0	0	0	108.6	V202 A203 Y206 V221 A233 T234 V236 Y238 I372 V374	V202-F223 HydrophobicContact CG1-CB 4.44Å; V202-F223 HydrophobicContact CG1-CD1 3.68Å; V202-F223 HydrophobicContact CG1-CE1 4.19Å; V202-F223 HydrophobicContact CG1-CG 4.09Å; A203-F223 HydrophobicContact CB-CD2 4.39Å; A203-F223 HydrophobicContact CB-CE2 4.01Å; Y206-F223 AromaticContact CD1-CZ 3.87Å; Y206-F223 HydrophobicContact CD1-CZ 3.87Å; Y206-F223 AromaticContact CD2-CE1 3.92Å; Y206-F223 HydrophobicContact CD2-CE1 3.92Å; Y206-F223 AromaticContact CD2-CZ 3.99Å; Y206-F223 HydrophobicContact CD2-CZ 3.99Å; Y206-F223 AromaticContact CG-CE1 3.89Å; Y206-F223 HydrophobicContact CG-CE1 3.89Å; Y206-F223 AromaticContact CG-CZ 3.56Å; Y206-F223 HydrophobicContact CG-CZ 3.56Å; V221-F223 HydrophobicContact CB-CE2 4.29Å; V221-F223 HydrophobicContact CG1-CD2 4.45Å; V221-F223 HydrophobicContact CG1-CE1 4.33Å; V221-F223 HydrophobicContact CG1-CE2 3.88Å; V221-F223 HydrophobicContact CG1-CZ 3.8Å; F223-A233 CarbonylContact O-C 3.58Å; F223-A233 WeakPolarHBondContact O-CA 3.28Å; F223-T234 PolarHBondContact N-O 2.83Å; F223-T234 PolarHBondContact O-N 3.32Å; F223-V236 HydrophobicContact CD2-CG2 3.8Å; F223-V236 HydrophobicContact CE2-CB 4.23Å; F223-V236 HydrophobicContact CE2-CG2 3.81Å; F223-Y238 HydrophobicContact CE2-CE2 4.22Å; F223-Y238 WeakPolarHBondContact CE2-OH 3.15Å; F223-Y238 HydrophobicContact CZ-CE2 4.41Å; F223-Y238 WeakPolarHBondContact CZ-OH 3.16Å; F223-I372 HydrophobicContact CD1-CB 3.98Å; F223-I372 HydrophobicContact CD1-CD1 4.4Å; F223-I372 HydrophobicContact CD1-CG2 4.16Å; F223-I372 HydrophobicContact CE1-CB 4.21Å; F223-I372 HydrophobicContact CE1-CD1 3.78Å; F223-I372 HydrophobicContact CE1-CG2 4.28Å; F223-I372 HydrophobicContact CZ-CD1 4.26Å; F223-V374 HydrophobicContact CB-CG2 4.49Å; F223-V374 HydrophobicContact CD1-CG2 4.25Å
224	Y	98.8	Very high	97.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	104	173.7	-173.3	-82.7	0	0	0	108.2	M226 T231 A233 V350 V354 I372 V374 T378 V383 L387	Y224-M226 HydrophobicContact CE1-CB 4.1Å; Y224-T231 HydrophobicContact CE1-CG2 3.99Å; Y224-T231 HydrophobicContact CE2-CG2 4Å; Y224-T231 VanDerWaalsContact OH-CG2 3.3Å; Y224-T231 WeakPolarHBondContact OH-CG2 3.48Å; Y224-A233 HydrophobicContact CD2-CB 4Å; Y224-V350 WeakPolarHBondContact OH-CG1 3.28Å; Y224-V350 PolarHBondContact OH-O 3.33Å; Y224-V354 HydrophobicContact CD2-CG2 3.76Å; Y224-V354 HydrophobicContact CE2-CG2 3.86Å; Y224-I372 PolarHBondContact N-O 3.31Å; Y224-V374 PolarHBondContact O-N 3.37Å; Y224-T378 HydrophobicContact CD1-CG2 4.03Å; Y224-T378 HydrophobicContact CE1-CG2 4.32Å; Y224-V383 HydrophobicContact CE1-CG1 4.47Å; Y224-L387 HydrophobicContact CD1-CD2 3.57Å; Y224-L387 HydrophobicContact CD2-CD1 3.66Å; Y224-L387 HydrophobicContact CD2-CD2 4.09Å; Y224-L387 HydrophobicContact CE1-CD2 4.02Å; Y224-L387 HydrophobicContact CE2-CD1 3.72Å; Y224-L387 HydrophobicContact CE2-CD2 4.5Å; Y224-L387 HydrophobicContact CG-CD1 4.08Å; Y224-L387 HydrophobicContact CG-CD2 3.62Å
225	D	98.4	Very high	97.4	Very high	33 Å²	33	22.8 Å²	22.8	18%	0.176	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	122.2	176.9	-163.3	-37.4	0	0	0	109.6	G227 T231 T232 V374 G375	D225-G227 PolarHBondContact OD1-N 3.39Å; D225-T231 CarbonylContact O-C 3.57Å; D225-T231 VanDerWaalsContact O-CA 3.3Å; D225-T231 WeakPolarHBondContact O-CA 3.26Å; D225-T231 WeakPolarHBondContact O-CG2 3.41Å; D225-T232 PolarHBondContact N-O 3.5Å; D225-T232 PolarHBondContact O-N 2.67Å; D225-V374 WeakPolarHBondContact CA-O 3.44Å; D225-V374 HydrophobicContact CB-CB 3.98Å; D225-V374 HydrophobicContact CB-CG1 4.38Å; D225-V374 VanDerWaalsContact OD2-CG1 3.27Å; D225-V374 WeakPolarHBondContact OD2-CG1 3.3Å; D225-G375 WeakPolarHBondContact OD1-CA 3.43Å; D225-G375 PolarHBondContact OD1-N 3.22Å
226	M	98.3	Very high	97.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	99.9	167.3	-161.2	-174	178.5	0	0	109.5	Y224 T231 L263 M268 V374 G375 G376 A377 T378 V383	Y224-M226 HydrophobicContact CE1-CB 4.1Å; M226-T231 HydrophobicContact CG-CG2 4.46Å; M226-T231 WeakPolarHBondContact CG-OG1 3.21Å; M226-L263 HydrophobicContact CE-CD1 3.74Å; M226-L263 HydrophobicContact CE-CG 3.86Å; M226-M268 HydrophobicContact CE-CE 3.54Å; M226-M268 HydrophobicContact SD-CE 4.41Å; M226-V374 PolarHBondContact N-O 3.31Å; M226-V374 VanDerWaalsContact N-O 3.13Å; M226-G375 CarbonylContact O-C 3.51Å; M226-G375 WeakPolarHBondContact O-CA 3.27Å; M226-G376 PolarHBondContact O-N 3.42Å; M226-G376 VanDerWaalsContact O-N 3.17Å; M226-A377 HydrophobicContact CB-CB 4.15Å; M226-A377 HydrophobicContact CE-CB 4.28Å; M226-A377 HydrophobicContact CG-CB 3.77Å; M226-A377 WeakPolarHBondContact O-CB 3.14Å; M226-A377 PolarHBondContact O-N 3.37Å; M226-A377 HydrophobicContact SD-CB 3.8Å; M226-T378 HydrophobicContact CB-CG2 3.58Å; M226-V383 HydrophobicContact SD-CB 4.4Å; M226-V383 HydrophobicContact SD-CG1 3.69Å; M226-V383 HydrophobicContact SD-CG2 3.78Å
227	G	96.3	Very high	97.7	Very high	18 Å²	18	14.7 Å²	14.7	19%	0.186	10%	0.098	C	C	.	.			trans	-83.3	-159.2	-176.6	0	0	0	0	0	113.8	D225 S230 G265 A377	D225-G227 PolarHBondContact OD1-N 3.39Å; G227-S230 PolarHBondContact N-O 2.97Å; G227-G265 PolarHBondContact O-N 3.37Å; G227-A377 WeakPolarHBondContact O-CB 3.27Å
228	S	96.1	Very high	97.9	Very high	15 Å²	15	10.8 Å²	10.8	11%	0.105	7%	0.074	C	C	.	.	S	Bend	trans	-78.6	-48.3	173.2	-164.1	0	0	0	0	110.8	E36 H92 G264 G265 F266	E36-S228 WeakPolarHBondContact CB-OG 3.3Å; E36-S228 PolarHBondContact OE2-OG 2.93Å; H92-S228 PolarHBondContact CE1-OG 3.18Å; S228-G264 CarbonylContact O-C 3.54Å; S228-G264 VanDerWaalsContact O-C 3.23Å; S228-G264 WeakPolarHBondContact O-CA 3.18Å; S228-G265 PolarHBondContact O-N 3Å; S228-F266 VanDerWaalsContact O-CB 3.26Å; S228-F266 WeakPolarHBondContact O-CB 3.45Å; S228-F266 PolarHBondContact O-N 3.09Å
229	G	94.4	Very high	98	Very high	24 Å²	24	11 Å²	11	25%	0.247	7%	0.069	C	C	.	.	S	Bend	trans	-95.4	-20.8	-178.1	0	0	0	0	0	117.4	S35	S35-G229 PolarHBondContact OG-N 3.15Å
230	S	96.9	Very high	98	Very high	21 Å²	21	10.6 Å²	10.6	15%	0.147	7%	0.07	C	C	.	.			trans	-157.2	167	-165.7	56.8	0	0	0	0	113.2	F172 G227 D260 L263	F172-S230 WeakPolarHBondContact CZ-OG 3.36Å; G227-S230 PolarHBondContact N-O 2.97Å; S230-D260 WeakPolarHBondContact CA-O 3.45Å; S230-D260 WeakPolarHBondContact CB-O 3.47Å; S230-L263 CarbonylContact C-O 3.58Å; S230-L263 WeakPolarHBondContact CA-O 3.34Å
231	T	98.4	Very high	97.8	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	139.8	178.4	-57.6	0	0	0	0	111	Y224 D225 M226 F259 D260 L263 P353	Y224-T231 HydrophobicContact CE1-CG2 3.99Å; Y224-T231 HydrophobicContact CE2-CG2 4Å; Y224-T231 VanDerWaalsContact OH-CG2 3.3Å; Y224-T231 WeakPolarHBondContact OH-CG2 3.48Å; D225-T231 CarbonylContact O-C 3.57Å; D225-T231 VanDerWaalsContact O-CA 3.3Å; D225-T231 WeakPolarHBondContact O-CA 3.26Å; D225-T231 WeakPolarHBondContact O-CG2 3.41Å; M226-T231 HydrophobicContact CG-CG2 4.46Å; M226-T231 WeakPolarHBondContact CG-OG1 3.21Å; T231-F259 CarbonylContact O-C 3.56Å; T231-F259 VanDerWaalsContact O-CA 3.27Å; T231-F259 WeakPolarHBondContact O-CA 3.29Å; T231-F259 WeakPolarHBondContact O-CB 3.32Å; T231-D260 PolarHBondContact N-O 2.93Å; T231-D260 PolarHBondContact O-N 2.88Å; T231-L263 HydrophobicContact CG2-CD2 4.4Å; T231-L263 PolarHBondContact N-O 3.13Å; T231-L263 VanDerWaalsContact N-O 3.12Å; T231-L263 WeakPolarHBondContact OG1-CG 3.19Å; T231-L263 PolarHBondContact OG1-O 3.47Å; T231-P353 HydrophobicContact CG2-CB 4.38Å; T231-P353 HydrophobicContact CG2-CG 3.9Å
232	T	98.4	Very high	97.5	Very high	5 Å²	5	19.9 Å²	19.9	3%	0.031	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	127.5	176.2	-52.7	0	0	0	0	110.4	D225 V257 F259	D225-T232 PolarHBondContact N-O 3.5Å; D225-T232 PolarHBondContact O-N 2.67Å; T232-V257 HydrophobicContact CG2-CG1 3.79Å; T232-F259 HydrophobicContact CG2-CB 4.5Å
233	A	98.8	Very high	96.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	130.6	166.2	0	0	0	0	0	109.8	F223 Y224 V257 G258 P353 V354 A357	F223-A233 CarbonylContact O-C 3.58Å; F223-A233 WeakPolarHBondContact O-CA 3.28Å; Y224-A233 HydrophobicContact CD2-CB 4Å; A233-V257 WeakPolarHBondContact O-CA 3.45Å; A233-G258 PolarHBondContact N-O 2.92Å; A233-G258 PolarHBondContact O-N 2.93Å; A233-G258 VanDerWaalsContact O-O 3.13Å; A233-P353 HydrophobicContact CB-CB 3.81Å; A233-P353 WeakPolarHBondContact CB-O 3.47Å; A233-V354 HydrophobicContact CB-CG2 4.35Å; A233-A357 HydrophobicContact CB-CB 4.1Å; A233-A357 WeakPolarHBondContact O-CB 3.49Å
234	T	98.8	Very high	96.1	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	119	-172.1	-61.3	0	0	0	0	110.9	N199 M222 F223 V236 I254 V257	N199-T234 HydrophobicContact CB-CG2 4.07Å; N199-T234 VanDerWaalsContact CB-OG1 3.31Å; N199-T234 WeakPolarHBondContact CB-OG1 3.49Å; N199-T234 WeakPolarHBondContact ND2-CG2 3.46Å; N199-T234 PolarHBondContact ND2-OG1 3.29Å; M222-T234 CarbonylContact C-O 3.58Å; M222-T234 VanDerWaalsContact CA-O 3.3Å; M222-T234 WeakPolarHBondContact CA-O 3.36Å; F223-T234 PolarHBondContact N-O 2.83Å; F223-T234 PolarHBondContact O-N 3.32Å; T234-V236 HydrophobicContact CG2-CG2 3.87Å; T234-I254 HydrophobicContact CG2-CD1 4Å; T234-I254 HydrophobicContact CG2-CG2 4.12Å; T234-V257 HydrophobicContact CG2-CG2 4.26Å
235	I	98.8	Very high	95	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	128.5	174.2	-60	167.1	0	0	0	109	M222 R255 G256 A357 L358 A361 M363 I368	M222-I235 HydrophobicContact CB-CG1 4.44Å; M222-I235 HydrophobicContact CE-CD1 3.79Å; M222-I235 HydrophobicContact CE-CG1 3.57Å; M222-I235 HydrophobicContact CG-CG1 4.38Å; I235-R255 HydrophobicContact CB-CB 4.33Å; I235-R255 HydrophobicContact CG2-CB 4.05Å; I235-R255 PolarHBondContact O-N 3.37Å; I235-G256 PolarHBondContact N-O 3.06Å; I235-A357 HydrophobicContact CD1-CB 4.1Å; I235-A357 WeakPolarHBondContact CD1-O 3.32Å; I235-A357 HydrophobicContact CG1-CB 4.19Å; I235-L358 HydrophobicContact CD1-CB 4.49Å; I235-L358 HydrophobicContact CD1-CD2 3.81Å; I235-L358 HydrophobicContact CD1-CG 4.12Å; I235-A361 HydrophobicContact CD1-CB 3.91Å; I235-M363 HydrophobicContact CG2-SD 3.86Å; I235-I368 HydrophobicContact CB-CD1 4.49Å; I235-I368 HydrophobicContact CD1-CD1 3.95Å; I235-I368 HydrophobicContact CG1-CD1 3.98Å; I235-I368 HydrophobicContact CG2-CD1 3.69Å
236	V	98.8	Very high	93.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	125.1	-177.8	-170.7	0	0	0	0	109.3	A203 N220 V221 F223 T234 Y238 L252 Q253 I254	A203-V236 HydrophobicContact CB-CG1 4.28Å; A203-V236 HydrophobicContact CB-CG2 3.89Å; N220-V236 WeakPolarHBondContact CA-O 3.2Å; V221-V236 PolarHBondContact N-O 3.5Å; V221-V236 PolarHBondContact O-N 2.95Å; F223-V236 HydrophobicContact CD2-CG2 3.8Å; F223-V236 HydrophobicContact CE2-CB 4.23Å; F223-V236 HydrophobicContact CE2-CG2 3.81Å; T234-V236 HydrophobicContact CG2-CG2 3.87Å; V236-Y238 HydrophobicContact CB-CE2 3.95Å; V236-Y238 HydrophobicContact CG1-CD2 4.21Å; V236-Y238 HydrophobicContact CG1-CE1 4.17Å; V236-Y238 HydrophobicContact CG1-CE2 3.71Å; V236-L252 HydrophobicContact CG1-CB 3.84Å; V236-L252 HydrophobicContact CG1-CD1 4.22Å; V236-Q253 WeakPolarHBondContact CA-O 3.3Å; V236-I254 HydrophobicContact CG1-CD1 4.4Å; V236-I254 HydrophobicContact CG2-CD1 3.78Å
237	S	98.6	Very high	93.2	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.007	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	126.2	165	-62.2	0	0	0	0	109.5	Q219 N220 L252 Q253 R255	Q219-S237 CarbonylContact O-C 3.56Å; Q219-S237 WeakPolarHBondContact O-CA 3.44Å; N220-S237 PolarHBondContact OD1-OG 3.2Å; S237-L252 WeakPolarHBondContact O-CA 3.42Å; S237-Q253 PolarHBondContact N-O 2.83Å; S237-Q253 PolarHBondContact O-N 2.95Å; S237-R255 VanDerWaalsContact OG-CG 3.29Å; S237-R255 WeakPolarHBondContact OG-CG 3.46Å; S237-R255 PolarHBondContact OG-NE 3.35Å
238	Y	98.6	Very high	93	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	132.9	165.8	-61.8	-87	0	0	0	109.7	A203 Y206 I214 A218 Q219 V221 F223 V236 Q251 L252 F426	A203-Y238 VanDerWaalsContact C-OH 3.31Å; A203-Y238 VanDerWaalsContact CA-OH 3.24Å; A203-Y238 WeakPolarHBondContact CA-OH 3.39Å; A203-Y238 WeakPolarHBondContact CB-OH 3.26Å; A203-Y238 PolarHBondContact O-OH 3.37Å; Y206-Y238 HydrophobicContact CD1-CE1 4.28Å; Y206-Y238 AromaticContact CD1-CE2 3.77Å; Y206-Y238 HydrophobicContact CD1-CE2 3.77Å; Y206-Y238 AromaticContact CD1-CZ 3.6Å; Y206-Y238 WeakPolarHBondContact CD1-OH 3.34Å; Y206-Y238 HydrophobicContact CE1-CD2 4.44Å; Y206-Y238 AromaticContact CE1-CE2 3.97Å; Y206-Y238 HydrophobicContact CE1-CE2 3.97Å; I214-Y238 HydrophobicContact CD1-CD1 3.92Å; I214-Y238 HydrophobicContact CD1-CG 4.32Å; A218-Y238 WeakPolarHBondContact CA-O 3.39Å; Q219-Y238 PolarHBondContact N-O 2.94Å; Q219-Y238 PolarHBondContact O-N 3.1Å; V221-Y238 HydrophobicContact CB-CD2 4.5Å; V221-Y238 HydrophobicContact CB-CE2 4.09Å; V221-Y238 HydrophobicContact CG2-CD2 4.18Å; V221-Y238 HydrophobicContact CG2-CE2 4.14Å; F223-Y238 HydrophobicContact CE2-CE2 4.22Å; F223-Y238 WeakPolarHBondContact CE2-OH 3.15Å; F223-Y238 HydrophobicContact CZ-CE2 4.41Å; F223-Y238 WeakPolarHBondContact CZ-OH 3.16Å; V236-Y238 HydrophobicContact CB-CE2 3.95Å; V236-Y238 HydrophobicContact CG1-CD2 4.21Å; V236-Y238 HydrophobicContact CG1-CE1 4.17Å; V236-Y238 HydrophobicContact CG1-CE2 3.71Å; Y238-Q251 WeakPolarHBondContact CA-O 3.2Å; Y238-L252 HydrophobicContact CD1-CB 3.74Å; Y238-L252 HydrophobicContact CE1-CB 3.56Å; Y238-L252 HydrophobicContact CE1-CD2 4.36Å; Y238-F426 HydrophobicContact CD1-CZ 4.3Å; Y238-F426 HydrophobicContact CE1-CZ 4.49Å
239	Q	97.6	Very high	93	Very high	42 Å²	42	46.3 Å²	46.3	20%	0.196	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	161.2	175.8	60.9	-178.2	10.2	0	0	110	I214 D215 V241 Q251	I214-Q239 VanDerWaalsContact CG2-C 3.48Å; D215-Q239 CarbonylContact O-C 3.6Å; Q239-V241 HydrophobicContact CG-CG1 4.1Å; Q239-Q251 PolarHBondContact N-O 2.96Å; Q239-Q251 VanDerWaalsContact N-O 3.09Å; Q239-Q251 WeakPolarHBondContact O-CA 3.39Å; Q239-Q251 WeakPolarHBondContact O-CB 3.42Å; Q239-Q251 PolarHBondContact O-N 3.21Å
240	T	97.1	Very high	93.1	Very high	35 Å²	35	45.6 Å²	45.6	22%	0.215	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	138.9	168.1	58.2	0	0	0	0	111.2	I214 D215 S216 T248 Q249	I214-T240 HydrophobicContact CG2-CG2 4.25Å; I214-T240 WeakPolarHBondContact O-CG2 3.4Å; D215-T240 WeakPolarHBondContact O-CB 3.49Å; D215-T240 WeakPolarHBondContact O-CG2 3.4Å; D215-T240 PolarHBondContact O-N 3.36Å; D215-T240 PolarHBondContact O-OG1 2.9Å; S216-T240 PolarHBondContact N-OG1 2.89Å; T240-T248 HydrophobicContact CG2-CG2 4.21Å; T240-Q249 CarbonylContact C-O 3Å; T240-Q249 WeakPolarHBondContact CA-O 3.48Å
241	V	94.9	Very high	93.1	Very high	34 Å²	34	45.6 Å²	45.6	21%	0.206	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	149.6	178.9	-59	0	0	0	0	110.6	Q239 T248 Q249 Q251 L427	Q239-V241 HydrophobicContact CG-CG1 4.1Å; V241-T248 WeakPolarHBondContact O-CA 3.42Å; V241-Q249 PolarHBondContact N-O 3.32Å; V241-Q249 PolarHBondContact O-N 3.11Å; V241-Q251 HydrophobicContact CG1-CB 4.32Å; V241-Q251 HydrophobicContact CG2-CB 4.02Å; V241-L427 HydrophobicContact CG2-CD1 3.43Å; V241-L427 VanDerWaalsContact CG2-CD1 3.43Å
242	K	92.2	Very high	93.1	Very high	185 Å²	185	45.6 Å²	45.6	80%	0.804	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	114.7	177.4	-66.4	178.5	-178.6	176.1	0	110.1	G247	K242-G247 CarbonylContact C-O 3.55Å; K242-G247 WeakPolarHBondContact CA-O 3.33Å
243	T	86.3	Confident	93	Very high	39 Å²	39	47.2 Å²	47.2	24%	0.239	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	157.6	169	72.6	0	0	0	0	111.1	S246 G247 L427	T243-S246 WeakPolarHBondContact OG1-CA 3.49Å; T243-S246 WeakPolarHBondContact OG1-CB 3.32Å; T243-S246 PolarHBondContact OG1-N 3.47Å; T243-G247 PolarHBondContact N-O 3.29Å; T243-G247 PolarHBondContact O-N 3.02Å; T243-G247 PolarHBondContact OG1-O 3.12Å; T243-L427 HydrophobicContact CG2-CD1 3.55Å; T243-L427 HydrophobicContact CG2-CD2 4.49Å
244	K	82.2	Confident	93	Very high	209 Å²	209	47.3 Å²	47.3	91%	0.909	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-36.4	176.8	-66.9	-179.5	179	178.7	0	112.3
245	E	74.5	Confident	93	Very high	173 Å²	173	51.2 Å²	51.2	81%	0.808	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-20.5	-173.5	-62.2	115.6	-121.4	0	0	114.7
246	S	72	Confident	93	Very high	54 Å²	54	51.2 Å²	51.2	38%	0.378	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.5	9.2	-171	-49.2	0	0	0	0	114.8	T243 Q249	T243-S246 WeakPolarHBondContact OG1-CA 3.49Å; T243-S246 WeakPolarHBondContact OG1-CB 3.32Å; T243-S246 PolarHBondContact OG1-N 3.47Å; S246-Q249 PolarHBondContact O-NE2 2.87Å
247	G	87.3	Confident	93	Very high	37 Å²	37	51.2 Å²	51.2	38%	0.381	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	64.7	-144.4	-179.7	0	0	0	0	0	112.4	K242 T243 Q249	K242-G247 CarbonylContact C-O 3.55Å; K242-G247 WeakPolarHBondContact CA-O 3.33Å; T243-G247 PolarHBondContact N-O 3.29Å; T243-G247 PolarHBondContact O-N 3.02Å; T243-G247 PolarHBondContact OG1-O 3.12Å; G247-Q249 PolarHBondContact O-N 3.49Å
248	T	92.9	Very high	93	Very high	81 Å²	81	51.1 Å²	51.1	50%	0.497	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	118.2	177.7	-54	0	0	0	0	110.5	T240 V241	T240-T248 HydrophobicContact CG2-CG2 4.21Å; V241-T248 WeakPolarHBondContact O-CA 3.42Å
249	Q	94.9	Very high	93	Very high	32 Å²	32	51.4 Å²	51.4	15%	0.15	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	147.8	176.7	-65.6	-59.6	-33.6	0	0	110.9	T240 V241 S246 G247 P425 L427	T240-Q249 CarbonylContact C-O 3Å; T240-Q249 WeakPolarHBondContact CA-O 3.48Å; V241-Q249 PolarHBondContact N-O 3.32Å; V241-Q249 PolarHBondContact O-N 3.11Å; S246-Q249 PolarHBondContact O-NE2 2.87Å; G247-Q249 PolarHBondContact O-N 3.49Å; Q249-P425 HydrophobicContact CG-CB 4.33Å; Q249-P425 PolarHBondContact OE1-O 3.27Å; Q249-L427 HydrophobicContact CB-CD1 4.1Å; Q249-L427 HydrophobicContact CB-CG 4.31Å
250	P	96.8	Very high	92.9	Very high	9 Å²	9	50.3 Å²	50.3	6%	0.058	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	144.2	171.9	32.4	-36.9	0	0	0	110.5	R211 I214 F426 L427	R211-P250 HydrophobicContact CG-CG 4.28Å; I214-P250 HydrophobicContact CD1-CB 4.3Å; P250-F426 HydrophobicContact CB-CD2 4.01Å; P250-F426 HydrophobicContact CB-CE2 3.67Å; P250-F426 HydrophobicContact CB-CZ 4.07Å; P250-F426 HydrophobicContact CG-CD2 3.55Å; P250-F426 HydrophobicContact CG-CE2 3.75Å; P250-F426 HydrophobicContact CG-CG 4.18Å; P250-L427 PolarHBondContact O-N 3.24Å
251	Q	96.8	Very high	92.8	Very high	21 Å²	21	50 Å²	50	10%	0.098	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	141.7	176.9	176	169.3	88.9	0	0	109.5	Y238 Q239 V241 L427	Y238-Q251 WeakPolarHBondContact CA-O 3.2Å; Q239-Q251 PolarHBondContact N-O 2.96Å; Q239-Q251 VanDerWaalsContact N-O 3.09Å; Q239-Q251 WeakPolarHBondContact O-CA 3.39Å; Q239-Q251 WeakPolarHBondContact O-CB 3.42Å; Q239-Q251 PolarHBondContact O-N 3.21Å; V241-Q251 HydrophobicContact CG1-CB 4.32Å; V241-Q251 HydrophobicContact CG2-CB 4.02Å; Q251-L427 CarbonylContact C-O 3.53Å; Q251-L427 VanDerWaalsContact CA-O 3.28Å; Q251-L427 WeakPolarHBondContact CA-O 3.27Å; Q251-L427 HydrophobicContact CB-CB 3.94Å; Q251-L427 HydrophobicContact CG-CB 4.08Å
252	L	98	Very high	92.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	140.6	155.8	75	88.5	0	0	0	108.5	T200 A203 L204 V236 S237 Y238 I254 F426 L427 V428 R429	T200-L252 HydrophobicContact CG2-CD1 4.32Å; A203-L252 HydrophobicContact CB-CD2 4.23Å; L204-L252 VanDerWaalsContact CA-CD2 3.48Å; L204-L252 HydrophobicContact CB-CD2 3.89Å; L204-L252 HydrophobicContact CD1-CD2 4.12Å; V236-L252 HydrophobicContact CG1-CB 3.84Å; V236-L252 HydrophobicContact CG1-CD1 4.22Å; S237-L252 WeakPolarHBondContact O-CA 3.42Å; Y238-L252 HydrophobicContact CD1-CB 3.74Å; Y238-L252 HydrophobicContact CE1-CB 3.56Å; Y238-L252 HydrophobicContact CE1-CD2 4.36Å; L252-I254 HydrophobicContact CD1-CD1 4.01Å; L252-I254 HydrophobicContact CD1-CG1 4.45Å; L252-F426 HydrophobicContact CB-CE1 3.97Å; L252-F426 HydrophobicContact CD2-CD1 4.45Å; L252-F426 HydrophobicContact CD2-CE1 3.9Å; L252-F426 HydrophobicContact CG-CE1 4.14Å; L252-L427 PolarHBondContact N-O 2.86Å; L252-V428 HydrophobicContact CD1-CG1 4.32Å; L252-V428 HydrophobicContact CD2-CG2 4.41Å; L252-R429 PolarHBondContact O-N 2.7Å
253	Q	98.2	Very high	93	Very high	39 Å²	39	41 Å²	41	18%	0.182	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	123.9	169.1	179	175.2	-3.6	0	0	109.7	V236 S237 R255 R429	V236-Q253 WeakPolarHBondContact CA-O 3.3Å; S237-Q253 PolarHBondContact N-O 2.83Å; S237-Q253 PolarHBondContact O-N 2.95Å; Q253-R255 PolarHBondContact O-N 3.2Å; Q253-R429 WeakPolarHBondContact CA-O 3.38Å; Q253-R429 HydrophobicContact CB-CB 4.05Å; Q253-R429 HydrophobicContact CG-CB 4Å
254	I	98.6	Very high	93.5	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	126.6	168.6	-52	-54.4	0	0	0	108.1	T234 V236 L252 V257 R429 A431	T234-I254 HydrophobicContact CG2-CD1 4Å; T234-I254 HydrophobicContact CG2-CG2 4.12Å; V236-I254 HydrophobicContact CG1-CD1 4.4Å; V236-I254 HydrophobicContact CG2-CD1 3.78Å; L252-I254 HydrophobicContact CD1-CD1 4.01Å; L252-I254 HydrophobicContact CD1-CG1 4.45Å; I254-V257 HydrophobicContact CG2-CG2 3.6Å; I254-R429 PolarHBondContact N-O 3.43Å; I254-A431 HydrophobicContact CB-CB 3.82Å; I254-A431 HydrophobicContact CG2-CB 3.78Å
255	R	98.4	Very high	94.2	Very high	82 Å²	82	29.3 Å²	29.3	31%	0.309	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	-44.3	-176.4	-68.2	-58.9	-156.7	156.6	7.4	113	I235 S237 Q253 A361 M363	I235-R255 HydrophobicContact CB-CB 4.33Å; I235-R255 HydrophobicContact CG2-CB 4.05Å; I235-R255 PolarHBondContact O-N 3.37Å; S237-R255 VanDerWaalsContact OG-CG 3.29Å; S237-R255 WeakPolarHBondContact OG-CG 3.46Å; S237-R255 PolarHBondContact OG-NE 3.35Å; Q253-R255 PolarHBondContact O-N 3.2Å; R255-A361 HydrophobicContact CB-CB 3.94Å; R255-A361 WeakPolarHBondContact O-CA 3.37Å; R255-M363 HydrophobicContact CB-CE 4.29Å; R255-M363 HydrophobicContact CG-CE 3.92Å
256	G	98.4	Very high	95.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	140.6	-177.6	0	0	0	0	0	110.2	I235	I235-G256 PolarHBondContact N-O 3.06Å
257	V	98.7	Very high	96.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	128.2	176.4	-174.8	0	0	0	0	108	A171 T232 A233 T234 I254 I433	A171-V257 HydrophobicContact CB-CG1 4.28Å; T232-V257 HydrophobicContact CG2-CG1 3.79Å; A233-V257 WeakPolarHBondContact O-CA 3.45Å; T234-V257 HydrophobicContact CG2-CG2 4.26Å; I254-V257 HydrophobicContact CG2-CG2 3.6Å; V257-I433 HydrophobicContact CB-CD1 3.88Å; V257-I433 HydrophobicContact CG1-CD1 4.27Å; V257-I433 HydrophobicContact CG2-CD1 3.74Å
258	G	98.3	Very high	97.1	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	149.8	167.8	0	0	0	0	0	109.1	A233 P353 E356	A233-G258 PolarHBondContact N-O 2.92Å; A233-G258 PolarHBondContact O-N 2.93Å; A233-G258 VanDerWaalsContact O-O 3.13Å; G258-P353 WeakPolarHBondContact CA-O 3.41Å; G258-E356 VanDerWaalsContact CA-CB 3.44Å; G258-E356 VanDerWaalsContact CA-OE2 3.27Å; G258-E356 WeakPolarHBondContact CA-OE2 3.45Å
259	F	98	Very high	97.3	Very high	5 Å²	5	14.1 Å²	14.1	2%	0.022	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	160.3	-172.1	62.1	-99.2	0	0	0	112.6	F172 T231 T232 R261 E356 I433 F434 L494	F172-F259 HydrophobicContact CB-CD1 3.8Å; F172-F259 HydrophobicContact CB-CD2 3.78Å; F172-F259 HydrophobicContact CB-CE1 3.7Å; F172-F259 HydrophobicContact CB-CE2 3.7Å; F172-F259 HydrophobicContact CB-CG 3.83Å; F172-F259 HydrophobicContact CB-CZ 3.64Å; F172-F259 HydrophobicContact CD1-CB 3.84Å; F172-F259 HydrophobicContact CD1-CD1 4.49Å; F172-F259 AromaticContact CD1-CD2 3.87Å; F172-F259 HydrophobicContact CD1-CD2 3.87Å; F172-F259 AromaticContact CD1-CG 3.82Å; F172-F259 HydrophobicContact CD1-CG 3.82Å; F172-F259 HydrophobicContact CG-CD2 4.03Å; F172-F259 HydrophobicContact CG-CE2 4.28Å; F172-F259 HydrophobicContact CG-CG 4.21Å; T231-F259 CarbonylContact O-C 3.56Å; T231-F259 VanDerWaalsContact O-CA 3.27Å; T231-F259 WeakPolarHBondContact O-CA 3.29Å; T231-F259 WeakPolarHBondContact O-CB 3.32Å; T232-F259 HydrophobicContact CG2-CB 4.5Å; F259-R261 HydrophobicContact CD2-CG 3.78Å; F259-R261 HydrophobicContact CE2-CG 3.81Å; F259-E356 PolarHBondContact N-OE2 2.81Å; F259-I433 HydrophobicContact CE1-CG2 3.86Å; F259-F434 HydrophobicContact CZ-CE1 4.24Å; F259-F434 HydrophobicContact CZ-CZ 4.29Å; F259-L494 HydrophobicContact CE1-CD2 4.36Å; F259-L494 HydrophobicContact CE2-CD2 4.3Å; F259-L494 HydrophobicContact CZ-CD2 3.58Å
260	D	97.3	Very high	97.5	Very high	20 Å²	20	12.9 Å²	12.9	11%	0.107	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	120	171.1	-177.2	-35	0	0	0	108	S230 T231 S262 L263 R349 P353	S230-D260 WeakPolarHBondContact CA-O 3.45Å; S230-D260 WeakPolarHBondContact CB-O 3.47Å; T231-D260 PolarHBondContact N-O 2.93Å; T231-D260 PolarHBondContact O-N 2.88Å; D260-S262 PolarHBondContact OD1-N 2.74Å; D260-L263 HydrophobicContact CB-CB 3.8Å; D260-L263 HydrophobicContact CB-CD2 4.37Å; D260-L263 WeakPolarHBondContact OD1-CB 3.38Å; D260-L263 PolarHBondContact OD1-N 2.79Å; D260-L263 VanDerWaalsContact OD2-CB 3.29Å; D260-L263 WeakPolarHBondContact OD2-CB 3.46Å; D260-R349 IonicContact OD1-CZ 2.73Å; D260-R349 IonicContact OD1-NH2 2.7Å; D260-R349 PolarHBondContact OD1-NH2 2.89Å; D260-R349 IonicContact OD2-CZ 3.18Å; D260-R349 VanDerWaalsContact OD2-CZ 3.25Å; D260-R349 IonicContact OD2-NE 3.86Å; D260-R349 PolarHBondContact OD2-NE 2.91Å; D260-R349 IonicContact OD2-NH2 3.41Å; D260-R349 PolarHBondContact OD2-NH2 3.08Å; D260-P353 HydrophobicContact CB-CG 4Å
261	R	94.8	Very high	97.6	Very high	28 Å²	28	15.3 Å²	15.3	11%	0.106	7%	0.069	C	C	.	.	S	Bend	trans	-82.6	-8.2	-173.2	-67.9	-171.9	60.1	136.7	0.9	114.5	F172 E177 F259 D498	F172-R261 HydrophobicContact CD1-CG 4.26Å; F172-R261 HydrophobicContact CD2-CG 3.88Å; F172-R261 HydrophobicContact CE1-CG 4.34Å; F172-R261 HydrophobicContact CE2-CG 3.97Å; F172-R261 HydrophobicContact CG-CG 4.03Å; F172-R261 HydrophobicContact CZ-CG 4.2Å; F172-R261 PolarHBondContact O-NH1 2.76Å; E177-R261 IonicContact OE1-CZ 3.81Å; E177-R261 IonicContact OE1-NH1 2.86Å; E177-R261 PolarHBondContact OE1-NH1 2.75Å; E177-R261 VanDerWaalsContact OE1-NH1 3.11Å; E177-R261 IonicContact OE1-NH2 3.32Å; E177-R261 PolarHBondContact OE1-NH2 3.38Å; E177-R261 IonicContact OE2-CZ 3.13Å; E177-R261 IonicContact OE2-NH1 3.67Å; E177-R261 PolarHBondContact OE2-NH1 2.99Å; E177-R261 IonicContact OE2-NH2 2.91Å; F259-R261 HydrophobicContact CD2-CG 3.78Å; F259-R261 HydrophobicContact CE2-CG 3.81Å; R261-D498 VanDerWaalsContact CD-OD1 3.24Å; R261-D498 WeakPolarHBondContact CD-OD1 3.28Å; R261-D498 VanDerWaalsContact CG-OD1 3.26Å; R261-D498 WeakPolarHBondContact CG-OD1 3.36Å
262	S	93.3	Very high	97.7	Very high	29 Å²	29	14.3 Å²	14.3	20%	0.203	6%	0.064	C	C	.	.	S	Bend	trans	-125.6	-12.2	178.5	62.8	0	0	0	0	114.4	D260 G264 R349 E497	D260-S262 PolarHBondContact OD1-N 2.74Å; S262-G264 PolarHBondContact O-N 3.22Å; S262-R349 PolarHBondContact OG-NH2 3.14Å; S262-E497 WeakPolarHBondContact CB-OE1 3.37Å; S262-E497 PolarHBondContact OG-OE1 2.92Å
263	L	96.6	Very high	97.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.069	C	C	.	.			trans	-75.8	106.8	168.7	178.6	62.3	0	0	0	111	M226 S230 T231 D260 L346 R349 V350	M226-L263 HydrophobicContact CE-CD1 3.74Å; M226-L263 HydrophobicContact CE-CG 3.86Å; S230-L263 CarbonylContact C-O 3.58Å; S230-L263 WeakPolarHBondContact CA-O 3.34Å; T231-L263 HydrophobicContact CG2-CD2 4.4Å; T231-L263 PolarHBondContact N-O 3.13Å; T231-L263 VanDerWaalsContact N-O 3.12Å; T231-L263 WeakPolarHBondContact OG1-CG 3.19Å; T231-L263 PolarHBondContact OG1-O 3.47Å; D260-L263 HydrophobicContact CB-CB 3.8Å; D260-L263 HydrophobicContact CB-CD2 4.37Å; D260-L263 WeakPolarHBondContact OD1-CB 3.38Å; D260-L263 PolarHBondContact OD1-N 2.79Å; D260-L263 VanDerWaalsContact OD2-CB 3.29Å; D260-L263 WeakPolarHBondContact OD2-CB 3.46Å; L263-L346 HydrophobicContact CD1-CB 3.74Å; L263-L346 HydrophobicContact CD1-CD2 4.44Å; L263-L346 WeakPolarHBondContact CD1-O 3.21Å; L263-R349 HydrophobicContact CD1-CB 4.42Å; L263-R349 HydrophobicContact CD2-CB 3.86Å; L263-V350 HydrophobicContact CD2-CG2 4.47Å
264	G	96.6	Very high	97.7	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.01	8%	0.075	C	C	.	.	S	Bend	trans	-162.8	168.2	177.6	0	0	0	0	0	113.5	S228 S262 F266 E267	S228-G264 CarbonylContact O-C 3.54Å; S228-G264 VanDerWaalsContact O-C 3.23Å; S228-G264 WeakPolarHBondContact O-CA 3.18Å; S262-G264 PolarHBondContact O-N 3.22Å; G264-F266 PolarHBondContact O-N 3.13Å; G264-F266 VanDerWaalsContact O-N 3.11Å; G264-E267 PolarHBondContact O-N 3.24Å
265	G	98	Very high	97.7	Very high	2 Å²	2	17.8 Å²	17.8	2%	0.021	8%	0.081	C	C	.	.	H	α-helix	trans	-62.7	-14.4	-178.6	0	0	0	0	0	115.6	G227 S228 D269 K308	G227-G265 PolarHBondContact O-N 3.37Å; S228-G265 PolarHBondContact O-N 3Å; G265-D269 PolarHBondContact O-N 2.74Å; G265-K308 PolarHBondContact O-NZ 3.17Å
266	F	97.8	Very high	97.7	Very high	7 Å²	7	13.9 Å²	13.9	3%	0.031	7%	0.066	C	C	.	.	H	α-helix	trans	-81.2	-35.7	178.2	-177.9	-125.8	0	0	0	112.7	H92 Y112 F113 S228 G264 M268 D269 L270 L301	H92-F266 WeakPolarHBondContact CE1-CB 3.21Å; H92-F266 AromaticContact CE1-CD1 3.54Å; H92-F266 AromaticContact CE1-CD2 3.7Å; H92-F266 AromaticContact CE1-CG 3.15Å; H92-F266 WeakPolarHBondContact CE1-CG 3.26Å; H92-F266 AromaticContact ND1-CD1 3.83Å; H92-F266 AromaticContact NE2-CD2 3.9Å; Y112-F266 HydrophobicContact CD2-CE1 4.01Å; Y112-F266 HydrophobicContact CG-CE1 4.13Å; F113-F266 AromaticContact CE1-CZ 3.96Å; F113-F266 HydrophobicContact CE1-CZ 3.96Å; F113-F266 HydrophobicContact CE2-CE1 4.31Å; F113-F266 HydrophobicContact CE2-CZ 4.43Å; F113-F266 AromaticContact CZ-CE1 3.75Å; F113-F266 HydrophobicContact CZ-CE1 3.75Å; F113-F266 AromaticContact CZ-CZ 3.48Å; F113-F266 HydrophobicContact CZ-CZ 3.48Å; F113-F266 VanDerWaalsContact CZ-CZ 3.48Å; S228-F266 VanDerWaalsContact O-CB 3.26Å; S228-F266 WeakPolarHBondContact O-CB 3.45Å; S228-F266 PolarHBondContact O-N 3.09Å; G264-F266 PolarHBondContact O-N 3.13Å; G264-F266 VanDerWaalsContact O-N 3.11Å; F266-M268 PolarHBondContact O-N 3.34Å; F266-D269 HydrophobicContact CD2-CB 4.24Å; F266-D269 WeakPolarHBondContact O-CA 3.41Å; F266-D269 WeakPolarHBondContact O-CB 3.46Å; F266-D269 PolarHBondContact O-N 3.33Å; F266-L270 HydrophobicContact CD1-CD1 4.09Å; F266-L270 HydrophobicContact CE1-CD1 3.78Å; F266-L270 HydrophobicContact CE1-CD2 4.38Å; F266-L270 HydrophobicContact CE1-CG 4.22Å; F266-L270 HydrophobicContact CE2-CD2 4.17Å; F266-L270 HydrophobicContact CE2-CG 4.2Å; F266-L270 HydrophobicContact CZ-CD1 4.05Å; F266-L270 HydrophobicContact CZ-CD2 3.82Å; F266-L270 HydrophobicContact CZ-CG 4.01Å; F266-L270 WeakPolarHBondContact O-CG 3.31Å; F266-L270 PolarHBondContact O-N 3.03Å; F266-L301 HydrophobicContact CE2-CD1 4.03Å; F266-L301 HydrophobicContact CE2-CD2 4.15Å
267	E	97.6	Very high	97.7	Very high	20 Å²	20	13.9 Å²	13.9	9%	0.093	7%	0.066	C	C	.	.	H	α-helix	trans	-61.9	-38.1	173.2	-177.6	67.7	-174.9	0	0	109.9	R111 Y112 G264 D269 L270 R271 L346	R111-E267 IonicContact NH2-OE1 3.05Å; R111-E267 IonicContact NH2-OE2 3.12Å; Y112-E267 PolarHBondContact OH-OE2 3.14Å; G264-E267 PolarHBondContact O-N 3.24Å; E267-D269 VanDerWaalsContact C-N 3.32Å; E267-D269 PolarHBondContact O-N 2.93Å; E267-L270 WeakPolarHBondContact O-CB 3.49Å; E267-L270 PolarHBondContact O-N 3.27Å; E267-R271 WeakPolarHBondContact O-CG 3.49Å; E267-R271 PolarHBondContact O-N 2.84Å; E267-R271 IonicContact OE1-CZ 3.71Å; E267-R271 IonicContact OE1-NE 2.7Å; E267-R271 PolarHBondContact OE1-NE 2.72Å; E267-R271 IonicContact OE1-NH2 3.77Å; E267-R271 PolarHBondContact OE1-NH2 2.85Å; E267-L346 HydrophobicContact CB-CD1 4.12Å; E267-L346 HydrophobicContact CG-CD1 3.82Å; E267-L346 HydrophobicContact CG-CD2 3.91Å; E267-L346 HydrophobicContact CG-CG 4.5Å
268	M	98.6	Very high	97.7	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-57.2	-40	170.1	-62.3	177.3	-179.3	0	0	113.2	M226 F266 L270 L272 K308 F339 L346 F347 V380 V383	M226-M268 HydrophobicContact CE-CE 3.54Å; M226-M268 HydrophobicContact SD-CE 4.41Å; F266-M268 PolarHBondContact O-N 3.34Å; M268-L270 VanDerWaalsContact C-N 3.32Å; M268-L272 PolarHBondContact O-N 3.02Å; M268-L272 VanDerWaalsContact O-N 3.12Å; M268-K308 HydrophobicContact CB-CD 3.96Å; M268-K308 HydrophobicContact SD-CD 4.38Å; M268-F339 HydrophobicContact CB-CE2 4Å; M268-F339 HydrophobicContact CB-CZ 4.22Å; M268-F339 HydrophobicContact CG-CE2 4.47Å; M268-F339 HydrophobicContact CG-CZ 4.44Å; M268-F339 HydrophobicContact SD-CZ 4.14Å; M268-L346 HydrophobicContact CG-CD1 3.85Å; M268-F347 HydrophobicContact CE-CD1 4.39Å; M268-F347 HydrophobicContact CE-CE1 3.63Å; M268-F347 HydrophobicContact CE-CZ 4.29Å; M268-V380 HydrophobicContact SD-CG2 4.13Å; M268-V383 HydrophobicContact CE-CG2 4Å
269	D	98.5	Very high	97.7	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-67.3	-34.4	175.2	-61.9	-39.5	0	0	0	111.7	G265 F266 E267 R273 L301 A304 Q305 K308	G265-D269 PolarHBondContact O-N 2.74Å; F266-D269 HydrophobicContact CD2-CB 4.24Å; F266-D269 WeakPolarHBondContact O-CA 3.41Å; F266-D269 WeakPolarHBondContact O-CB 3.46Å; F266-D269 PolarHBondContact O-N 3.33Å; E267-D269 VanDerWaalsContact C-N 3.32Å; E267-D269 PolarHBondContact O-N 2.93Å; D269-R273 VanDerWaalsContact O-CB 3.24Å; D269-R273 WeakPolarHBondContact O-CB 3.26Å; D269-R273 PolarHBondContact O-N 2.99Å; D269-L301 HydrophobicContact CB-CD1 3.92Å; D269-A304 VanDerWaalsContact O-CB 3.28Å; D269-A304 WeakPolarHBondContact O-CB 3.42Å; D269-Q305 HydrophobicContact CB-CG 3.97Å; D269-Q305 VanDerWaalsContact CG-CG 3.42Å; D269-Q305 WeakPolarHBondContact OD1-CA 3.38Å; D269-Q305 WeakPolarHBondContact OD2-CG 3.23Å; D269-Q305 PolarHBondContact OD2-NE2 3.11Å; D269-K308 WeakPolarHBondContact OD1-CD 3.46Å; D269-K308 VanDerWaalsContact OD1-CE 3.28Å; D269-K308 WeakPolarHBondContact OD1-CE 3.11Å; D269-K308 IonicContact OD1-NZ 2.87Å; D269-K308 PolarHBondContact OD1-NZ 3.32Å; D269-K308 IonicContact OD2-NZ 2.71Å; D269-K308 PolarHBondContact OD2-NZ 2.79Å
270	L	98.2	Very high	97.7	Very high	5 Å²	5	20.9 Å²	20.9	3%	0.026	10%	0.099	C	C	.	.	H	α-helix	trans	-70.5	-42.9	177.5	-65.6	170.4	0	0	0	111.5	Y112 F266 E267 M268 L272 R273 D274 L301	Y112-L270 HydrophobicContact CD1-CD1 3.26Å; Y112-L270 HydrophobicContact CD2-CD1 4.42Å; Y112-L270 HydrophobicContact CE1-CD1 3.31Å; Y112-L270 HydrophobicContact CE2-CD1 4.47Å; Y112-L270 HydrophobicContact CG-CD1 3.87Å; F266-L270 HydrophobicContact CD1-CD1 4.09Å; F266-L270 HydrophobicContact CE1-CD1 3.78Å; F266-L270 HydrophobicContact CE1-CD2 4.38Å; F266-L270 HydrophobicContact CE1-CG 4.22Å; F266-L270 HydrophobicContact CE2-CD2 4.17Å; F266-L270 HydrophobicContact CE2-CG 4.2Å; F266-L270 HydrophobicContact CZ-CD1 4.05Å; F266-L270 HydrophobicContact CZ-CD2 3.82Å; F266-L270 HydrophobicContact CZ-CG 4.01Å; F266-L270 WeakPolarHBondContact O-CG 3.31Å; F266-L270 PolarHBondContact O-N 3.03Å; E267-L270 WeakPolarHBondContact O-CB 3.49Å; E267-L270 PolarHBondContact O-N 3.27Å; M268-L270 VanDerWaalsContact C-N 3.32Å; L270-L272 VanDerWaalsContact C-N 3.35Å; L270-L272 PolarHBondContact O-N 2.85Å; L270-R273 VanDerWaalsContact CD2-CZ 3.48Å; L270-R273 WeakPolarHBondContact O-CB 3.24Å; L270-R273 PolarHBondContact O-N 2.96Å; L270-D274 WeakPolarHBondContact O-CB 3.36Å; L270-D274 PolarHBondContact O-N 3.27Å; L270-L301 HydrophobicContact CD2-CD1 4.42Å
271	R	98.4	Very high	97.7	Very high	61 Å²	61	21.7 Å²	21.7	23%	0.23	10%	0.103	C	C	.	.	H	α-helix	trans	-58.8	-46.2	173	-56.4	-50.8	175.9	72.9	1.9	111.4	E267 D274 H275 L342 D345	E267-R271 WeakPolarHBondContact O-CG 3.49Å; E267-R271 PolarHBondContact O-N 2.84Å; E267-R271 IonicContact OE1-CZ 3.71Å; E267-R271 IonicContact OE1-NE 2.7Å; E267-R271 PolarHBondContact OE1-NE 2.72Å; E267-R271 IonicContact OE1-NH2 3.77Å; E267-R271 PolarHBondContact OE1-NH2 2.85Å; R271-D274 PolarHBondContact O-N 3.04Å; R271-H275 VanDerWaalsContact O-CB 3.32Å; R271-H275 WeakPolarHBondContact O-CB 3.3Å; R271-H275 PolarHBondContact O-N 3.42Å; R271-L342 HydrophobicContact CB-CB 4.36Å; R271-L342 PolarHBondContact NH1-O 3.47Å; R271-D345 IonicContact CZ-OD1 3.98Å; R271-D345 IonicContact CZ-OD2 2.88Å; R271-D345 VanDerWaalsContact NH1-CG 3.3Å; R271-D345 IonicContact NH1-OD1 2.69Å; R271-D345 PolarHBondContact NH1-OD1 3.09Å; R271-D345 IonicContact NH1-OD2 3.94Å; R271-D345 PolarHBondContact NH1-OD2 3.1Å; R271-D345 VanDerWaalsContact NH1-OD2 3.13Å; R271-D345 IonicContact NH2-OD1 3.11Å; R271-D345 IonicContact NH2-OD2 2.69Å; R271-D345 PolarHBondContact NH2-OD2 2.89Å
272	L	98.8	Very high	97.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62.1	-46.5	174.9	-78.9	171.5	0	0	0	112.1	M268 L270 D274 H275 L276 A304 L307 K308 V334 F339	M268-L272 PolarHBondContact O-N 3.02Å; M268-L272 VanDerWaalsContact O-N 3.12Å; L270-L272 VanDerWaalsContact C-N 3.35Å; L270-L272 PolarHBondContact O-N 2.85Å; L272-D274 VanDerWaalsContact C-N 3.32Å; L272-D274 PolarHBondContact O-N 3.49Å; L272-H275 PolarHBondContact O-N 3.3Å; L272-L276 WeakPolarHBondContact O-CG 3.12Å; L272-L276 PolarHBondContact O-N 2.73Å; L272-A304 HydrophobicContact CB-CB 3.66Å; L272-L307 HydrophobicContact CD1-CB 4.19Å; L272-K308 HydrophobicContact CD1-CB 3.87Å; L272-V334 HydrophobicContact CD2-CG1 4.3Å; L272-F339 HydrophobicContact CD1-CD2 3.62Å; L272-F339 HydrophobicContact CD1-CE2 3.72Å; L272-F339 HydrophobicContact CD1-CG 4.4Å; L272-F339 HydrophobicContact CD2-CB 4.18Å; L272-F339 HydrophobicContact CD2-CD2 3.72Å; L272-F339 HydrophobicContact CD2-CG 4.26Å; L272-F339 HydrophobicContact CG-CD2 3.63Å; L272-F339 HydrophobicContact CG-CE2 4.03Å
273	R	98.6	Very high	97.9	Very high	27 Å²	27	26.1 Å²	26.1	10%	0.102	12%	0.124	C	C	.	.	H	α-helix	trans	-55	-47.4	176.1	178.4	-161.8	73.2	178.7	-2.2	111.4	D269 L270 L276 A277 M297 L300 L301 A304	D269-R273 VanDerWaalsContact O-CB 3.24Å; D269-R273 WeakPolarHBondContact O-CB 3.26Å; D269-R273 PolarHBondContact O-N 2.99Å; L270-R273 VanDerWaalsContact CD2-CZ 3.48Å; L270-R273 WeakPolarHBondContact O-CB 3.24Å; L270-R273 PolarHBondContact O-N 2.96Å; R273-L276 PolarHBondContact O-N 3.21Å; R273-A277 WeakPolarHBondContact O-CB 3.49Å; R273-A277 PolarHBondContact O-N 2.9Å; R273-M297 HydrophobicContact CG-CE 4.03Å; R273-L300 HydrophobicContact CG-CB 3.96Å; R273-L301 HydrophobicContact CB-CD1 4.42Å; R273-L301 HydrophobicContact CG-CB 4.21Å; R273-A304 HydrophobicContact CB-CB 4.11Å
274	D	98.5	Very high	97.7	Very high	56 Å²	56	34.5 Å²	34.5	30%	0.299	16%	0.161	S	C	.	.	H	α-helix	trans	-77.5	-26.8	-173.4	-66.6	-16.1	0	0	0	112.4	L270 R271 L272 K278 R291 M297	L270-D274 WeakPolarHBondContact O-CB 3.36Å; L270-D274 PolarHBondContact O-N 3.27Å; R271-D274 PolarHBondContact O-N 3.04Å; L272-D274 VanDerWaalsContact C-N 3.32Å; L272-D274 PolarHBondContact O-N 3.49Å; D274-K278 PolarHBondContact O-N 3.07Å; D274-R291 PolarHBondContact O-NH2 2.89Å; D274-R291 VanDerWaalsContact O-NH2 3.08Å; D274-M297 WeakPolarHBondContact OD1-CE 3.43Å
275	H	98.7	Very high	97.5	Very high	31 Å²	31	39.9 Å²	39.9	14%	0.144	18%	0.184	C	C	.	.	H	α-helix	trans	-66.9	-47	164.9	176.8	90.5	0	0	0	112	R271 L272 A277 K278 L279 L342	R271-H275 VanDerWaalsContact O-CB 3.32Å; R271-H275 WeakPolarHBondContact O-CB 3.3Å; R271-H275 PolarHBondContact O-N 3.42Å; L272-H275 PolarHBondContact O-N 3.3Å; H275-A277 VanDerWaalsContact C-N 3.27Å; H275-A277 PolarHBondContact O-N 2.88Å; H275-K278 WeakPolarHBondContact O-CB 3.35Å; H275-K278 PolarHBondContact O-N 3.49Å; H275-K278 VanDerWaalsContact O-N 3.12Å; H275-L279 WeakPolarHBondContact NE2-CD1 3.33Å; H275-L279 WeakPolarHBondContact O-CG 3.42Å; H275-L279 PolarHBondContact O-N 3.43Å; H275-L342 HydrophobicContact CB-CD1 3.69Å; H275-L342 HydrophobicContact CB-CD2 4.23Å
276	L	98.8	Very high	97.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.3	-38.6	173.9	-64.8	-173.6	0	0	0	111.8	L272 R273 K278 L279 F280 L300 E303 L307 A319 F330 V334	L272-L276 WeakPolarHBondContact O-CG 3.12Å; L272-L276 PolarHBondContact O-N 2.73Å; R273-L276 PolarHBondContact O-N 3.21Å; L276-K278 VanDerWaalsContact C-N 3.34Å; L276-K278 PolarHBondContact O-N 3.3Å; L276-L279 PolarHBondContact O-N 3.35Å; L276-F280 PolarHBondContact O-N 3.34Å; L276-L300 HydrophobicContact CB-CD2 3.81Å; L276-L300 HydrophobicContact CD1-CD2 4.14Å; L276-E303 HydrophobicContact CD1-CB 4.16Å; L276-E303 HydrophobicContact CD1-CG 3.93Å; L276-L307 HydrophobicContact CD1-CD1 3.84Å; L276-L307 HydrophobicContact CD2-CD1 3.85Å; L276-L307 HydrophobicContact CG-CD1 4.15Å; L276-A319 HydrophobicContact CD2-CB 4.05Å; L276-F330 HydrophobicContact CB-CE1 4.06Å; L276-F330 HydrophobicContact CB-CZ 4.12Å; L276-F330 HydrophobicContact CD1-CE1 4.28Å; L276-F330 HydrophobicContact CD2-CE1 3.91Å; L276-F330 HydrophobicContact CD2-CZ 3.93Å; L276-F330 HydrophobicContact CG-CE1 4.3Å; L276-V334 HydrophobicContact CD2-CG2 3.83Å
277	A	98.4	Very high	96.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.7	-40	174.9	0	0	0	0	0	111.9	R273 H275 N281 V290 R291 M297 L300	R273-A277 WeakPolarHBondContact O-CB 3.49Å; R273-A277 PolarHBondContact O-N 2.9Å; H275-A277 VanDerWaalsContact C-N 3.27Å; H275-A277 PolarHBondContact O-N 2.88Å; A277-N281 VanDerWaalsContact O-CG 3.25Å; A277-N281 PolarHBondContact O-N 2.89Å; A277-N281 VanDerWaalsContact O-N 3.17Å; A277-N281 PolarHBondContact O-OD1 3.43Å; A277-V290 HydrophobicContact CB-CG1 3.59Å; A277-R291 HydrophobicContact CB-CG 4.32Å; A277-M297 HydrophobicContact CB-CE 4.36Å; A277-M297 HydrophobicContact CB-SD 4.03Å; A277-L300 HydrophobicContact CB-CD1 3.71Å
278	K	98.4	Very high	96.7	Very high	106 Å²	106	50.7 Å²	50.7	46%	0.461	25%	0.245	S	C	.	.	H	α-helix	trans	-61.6	-51.2	171.6	-175.8	-172.4	177.9	-64.5	0	110.7	D274 H275 L276 F280 N281 D282 R291	D274-K278 PolarHBondContact O-N 3.07Å; H275-K278 WeakPolarHBondContact O-CB 3.35Å; H275-K278 PolarHBondContact O-N 3.49Å; H275-K278 VanDerWaalsContact O-N 3.12Å; L276-K278 VanDerWaalsContact C-N 3.34Å; L276-K278 PolarHBondContact O-N 3.3Å; K278-F280 VanDerWaalsContact C-N 3.28Å; K278-F280 PolarHBondContact O-N 3.05Å; K278-N281 PolarHBondContact O-N 3.28Å; K278-N281 VanDerWaalsContact O-N 3.17Å; K278-D282 IonicContact NZ-OD1 2.78Å; K278-D282 IonicContact NZ-OD2 2.87Å; K278-D282 PolarHBondContact NZ-OD2 3.02Å; K278-D282 WeakPolarHBondContact O-CB 3.46Å; K278-D282 VanDerWaalsContact O-CG 3.29Å; K278-D282 PolarHBondContact O-N 2.87Å; K278-R291 VanDerWaalsContact N-NH2 3.14Å
279	L	98.1	Very high	96.6	Very high	43 Å²	43	53.1 Å²	53.1	23%	0.225	26%	0.259	C	S	.	.	H	α-helix	trans	-61.2	-31.7	-179.5	-69.4	-174	0	0	0	113.6	H275 L276 Q283 F330 A332	H275-L279 WeakPolarHBondContact NE2-CD1 3.33Å; H275-L279 WeakPolarHBondContact O-CG 3.42Å; H275-L279 PolarHBondContact O-N 3.43Å; L276-L279 PolarHBondContact O-N 3.35Å; L279-Q283 WeakPolarHBondContact O-CG 3.28Å; L279-Q283 PolarHBondContact O-NE2 2.94Å; L279-F330 HydrophobicContact CB-CE2 4.06Å; L279-F330 HydrophobicContact CB-CZ 4.16Å; L279-A332 HydrophobicContact CD1-CB 3.81Å
280	F	98.1	Very high	96.5	Very high	3 Å²	3	53.1 Å²	53.1	1%	0.013	26%	0.259	C	S	.	.	H	α-helix	trans	-69.8	-48.4	172.7	177	-96.2	0	0	0	111.8	L276 K278 D282 Q283 V290 L324 M325 I328 F330	L276-F280 PolarHBondContact O-N 3.34Å; K278-F280 VanDerWaalsContact C-N 3.28Å; K278-F280 PolarHBondContact O-N 3.05Å; F280-D282 VanDerWaalsContact C-N 3.29Å; F280-D282 PolarHBondContact O-N 3.15Å; F280-Q283 WeakPolarHBondContact O-CB 3.47Å; F280-Q283 PolarHBondContact O-N 2.89Å; F280-Q283 VanDerWaalsContact O-N 3.09Å; F280-V290 HydrophobicContact CD1-CB 3.76Å; F280-V290 HydrophobicContact CD1-CG1 4.18Å; F280-V290 HydrophobicContact CD1-CG2 4.11Å; F280-V290 HydrophobicContact CE1-CB 4.13Å; F280-V290 HydrophobicContact CE1-CG2 4.34Å; F280-L324 HydrophobicContact CB-CD2 4.13Å; F280-L324 HydrophobicContact CD1-CD2 4.43Å; F280-L324 HydrophobicContact CD2-CD2 3.62Å; F280-L324 HydrophobicContact CD2-CG 4.49Å; F280-L324 HydrophobicContact CE2-CB 4.38Å; F280-L324 HydrophobicContact CE2-CD2 4.05Å; F280-L324 HydrophobicContact CE2-CG 4.46Å; F280-L324 HydrophobicContact CG-CD2 3.79Å; F280-M325 HydrophobicContact CE1-CB 4.45Å; F280-M325 HydrophobicContact CE1-CE 4.11Å; F280-M325 HydrophobicContact CZ-CB 4.28Å; F280-I328 HydrophobicContact CE2-CB 4.14Å; F280-I328 HydrophobicContact CE2-CG2 3.76Å; F280-I328 HydrophobicContact CZ-CB 4.23Å; F280-I328 HydrophobicContact CZ-CD1 4.24Å; F280-I328 HydrophobicContact CZ-CG2 4.21Å; F280-F330 HydrophobicContact CB-CD2 3.78Å; F280-F330 HydrophobicContact CB-CE2 3.97Å; F280-F330 HydrophobicContact CB-CG 4.48Å; F280-F330 HydrophobicContact CD2-CB 3.91Å; F280-F330 AromaticContact CD2-CD2 3.84Å; F280-F330 HydrophobicContact CD2-CD2 3.84Å; F280-F330 HydrophobicContact CD2-CG 4.19Å; F280-F330 HydrophobicContact CE2-CB 4.46Å; F280-F330 HydrophobicContact CG-CD2 4.31Å
281	N	97.6	Very high	96.4	Very high	37 Å²	37	57.5 Å²	57.5	20%	0.198	28%	0.275	C	S	.	.	H	α-helix	trans	-63.4	-36.4	179.7	-64.4	-4.2	0	0	0	111.9	A277 K278 Q283 K284 D289 V290 R291	A277-N281 VanDerWaalsContact O-CG 3.25Å; A277-N281 PolarHBondContact O-N 2.89Å; A277-N281 VanDerWaalsContact O-N 3.17Å; A277-N281 PolarHBondContact O-OD1 3.43Å; K278-N281 PolarHBondContact O-N 3.28Å; K278-N281 VanDerWaalsContact O-N 3.17Å; N281-Q283 PolarHBondContact O-N 3.43Å; N281-K284 WeakPolarHBondContact O-CA 3.49Å; N281-K284 WeakPolarHBondContact O-CG 3.35Å; N281-K284 PolarHBondContact O-N 3.04Å; N281-D289 PolarHBondContact ND2-OD1 3.17Å; N281-D289 PolarHBondContact ND2-OD2 3.24Å; N281-V290 WeakPolarHBondContact OD1-CG1 3.49Å; N281-V290 PolarHBondContact OD1-N 3.11Å; N281-R291 PolarHBondContact ND2-NH1 2.93Å
282	D	96.9	Very high	96.3	Very high	83 Å²	83	61.4 Å²	61.4	44%	0.444	30%	0.296	S	S	.	.	H	α-helix	trans	-62.7	-23.2	176.2	-74.1	-23.4	0	0	0	112.9	K278 F280 K284	K278-D282 IonicContact NZ-OD1 2.78Å; K278-D282 IonicContact NZ-OD2 2.87Å; K278-D282 PolarHBondContact NZ-OD2 3.02Å; K278-D282 WeakPolarHBondContact O-CB 3.46Å; K278-D282 VanDerWaalsContact O-CG 3.29Å; K278-D282 PolarHBondContact O-N 2.87Å; F280-D282 VanDerWaalsContact C-N 3.29Å; F280-D282 PolarHBondContact O-N 3.15Å; D282-K284 PolarHBondContact O-N 3.23Å
283	Q	94.6	Very high	96.1	Very high	66 Å²	66	63.9 Å²	63.9	31%	0.308	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-14.2	171.5	-65.2	174.7	34	0	0	113	L279 F280 N281 K285 K331	L279-Q283 WeakPolarHBondContact O-CG 3.28Å; L279-Q283 PolarHBondContact O-NE2 2.94Å; F280-Q283 WeakPolarHBondContact O-CB 3.47Å; F280-Q283 PolarHBondContact O-N 2.89Å; F280-Q283 VanDerWaalsContact O-N 3.09Å; N281-Q283 PolarHBondContact O-N 3.43Å; Q283-K285 HydrophobicContact CB-CD 4.27Å; Q283-K285 HydrophobicContact CB-CG 4.14Å; Q283-K285 PolarHBondContact O-N 2.98Å; Q283-K285 VanDerWaalsContact OE1-CE 3.29Å; Q283-K331 PolarHBondContact NE2-O 3.36Å
284	K	93.4	Very high	95.9	Very high	176 Å²	176	65.3 Å²	65.3	77%	0.765	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	29.1	174.2	-61.1	175.3	-175.3	177.1	0	114.9	N281 D282	N281-K284 WeakPolarHBondContact O-CA 3.49Å; N281-K284 WeakPolarHBondContact O-CG 3.35Å; N281-K284 PolarHBondContact O-N 3.04Å; D282-K284 PolarHBondContact O-N 3.23Å
285	K	92.1	Very high	95.8	Very high	114 Å²	114	69.1 Å²	69.1	50%	0.496	33%	0.327	S	S	.	.			trans	-80.2	-28.3	-179.6	-66.6	175.9	179.3	164.4	0	113.6	Q283 I328 D329	Q283-K285 HydrophobicContact CB-CD 4.27Å; Q283-K285 HydrophobicContact CB-CG 4.14Å; Q283-K285 PolarHBondContact O-N 2.98Å; Q283-K285 VanDerWaalsContact OE1-CE 3.29Å; K285-I328 HydrophobicContact CB-CD1 3.84Å; K285-I328 HydrophobicContact CB-CG1 4.36Å; K285-I328 HydrophobicContact CB-CG2 3.88Å; K285-I328 HydrophobicContact CD-CG2 3.42Å; K285-I328 VanDerWaalsContact CD-CG2 3.42Å; K285-I328 HydrophobicContact CG-CG2 4.32Å; K285-I328 WeakPolarHBondContact O-CD1 3.23Å; K285-D329 PolarHBondContact NZ-O 3.22Å
286	S	91.1	Very high	95.7	Very high	17 Å²	17	67.6 Å²	67.6	12%	0.119	32%	0.32	C	S	.	.	S	Bend	trans	-113.8	147	170.4	175.9	0	0	0	0	109.7	K288 D326	S286-K288 VanDerWaalsContact C-N 3.26Å; S286-K288 PolarHBondContact O-N 2.6Å; S286-K288 PolarHBondContact OG-N 2.73Å; S286-D326 WeakPolarHBondContact CB-OD2 3.33Å; S286-D326 PolarHBondContact OG-OD2 3.41Å
287	P	90.1	Very high	95.7	Very high	133 Å²	133	68.6 Å²	68.6	86%	0.864	33%	0.325	S	S	*	.	S	Bend	trans	-78.7	0.2	173.8	33.3	-37.2	0	0	0	114.5
288	K	95.3	Very high	95.6	Very high	106 Å²	106	69.2 Å²	69.2	46%	0.461	33%	0.33	S	S	.	.	S	Bend	trans	-110.1	152.3	179.6	-58.9	171.7	-169.1	154.4	0	111.4	S286 M325 D326	S286-K288 VanDerWaalsContact C-N 3.26Å; S286-K288 PolarHBondContact O-N 2.6Å; S286-K288 PolarHBondContact OG-N 2.73Å; K288-M325 HydrophobicContact CB-CE 3.94Å; K288-D326 IonicContact NZ-OD1 2.76Å
289	D	96.1	Very high	95.6	Very high	52 Å²	52	66 Å²	66	28%	0.278	32%	0.316	S	S	.	.			trans	-73	127.9	167.6	-168.4	-36.9	0	0	0	109.7	N281 R291 E292	N281-D289 PolarHBondContact ND2-OD1 3.17Å; N281-D289 PolarHBondContact ND2-OD2 3.24Å; D289-R291 PolarHBondContact O-N 3.04Å; D289-R291 VanDerWaalsContact O-N 3.08Å; D289-R291 VanDerWaalsContact OD1-CB 3.24Å; D289-R291 WeakPolarHBondContact OD1-CB 3.45Å; D289-R291 WeakPolarHBondContact OD1-CG 3.35Å; D289-R291 IonicContact OD1-CZ 2.66Å; D289-R291 PolarHBondContact OD1-N 3.02Å; D289-R291 IonicContact OD1-NH1 3.52Å; D289-R291 PolarHBondContact OD1-NH1 3.26Å; D289-R291 VanDerWaalsContact OD1-NH1 3.08Å; D289-R291 IonicContact OD2-CZ 2.65Å; D289-R291 IonicContact OD2-NH1 2.69Å; D289-R291 PolarHBondContact OD2-NH1 3.37Å; D289-E292 HydrophobicContact CB-CG 4.46Å; D289-E292 WeakPolarHBondContact O-CB 3.47Å; D289-E292 PolarHBondContact O-N 2.74Å
290	V	97.2	Very high	95.6	Very high	0 Å²	0	64 Å²	64	0%	0	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-56.8	-22.9	176.4	72.8	0	0	0	0	113.8	A277 F280 N281 E292 N293 A296 M297 L300 L324 M325	A277-V290 HydrophobicContact CB-CG1 3.59Å; F280-V290 HydrophobicContact CD1-CB 3.76Å; F280-V290 HydrophobicContact CD1-CG1 4.18Å; F280-V290 HydrophobicContact CD1-CG2 4.11Å; F280-V290 HydrophobicContact CE1-CB 4.13Å; F280-V290 HydrophobicContact CE1-CG2 4.34Å; N281-V290 WeakPolarHBondContact OD1-CG1 3.49Å; N281-V290 PolarHBondContact OD1-N 3.11Å; V290-E292 VanDerWaalsContact C-N 3.26Å; V290-E292 PolarHBondContact O-N 3.39Å; V290-N293 PolarHBondContact O-N 3.04Å; V290-N293 VanDerWaalsContact O-N 3.08Å; V290-A296 HydrophobicContact CG2-CB 3.41Å; V290-A296 VanDerWaalsContact CG2-CB 3.41Å; V290-M297 HydrophobicContact CG1-SD 4.35Å; V290-L300 HydrophobicContact CG1-CD1 4.13Å; V290-L300 HydrophobicContact CG2-CD1 4.28Å; V290-L324 HydrophobicContact CG2-CD1 4.41Å; V290-L324 HydrophobicContact CG2-CD2 4.22Å; V290-L324 HydrophobicContact CG2-CG 4.17Å; V290-M325 HydrophobicContact CB-CE 4.18Å; V290-M325 HydrophobicContact CG2-CB 4.43Å; V290-M325 HydrophobicContact CG2-SD 4.49Å
291	R	96.1	Very high	95.6	Very high	97 Å²	97	64.7 Å²	64.7	37%	0.366	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-64.3	-24.8	175	-64.8	172.4	-173.2	82.9	8.9	113.6	D274 A277 K278 N281 D289 N293 M297	D274-R291 PolarHBondContact O-NH2 2.89Å; D274-R291 VanDerWaalsContact O-NH2 3.08Å; A277-R291 HydrophobicContact CB-CG 4.32Å; K278-R291 VanDerWaalsContact N-NH2 3.14Å; N281-R291 PolarHBondContact ND2-NH1 2.93Å; D289-R291 PolarHBondContact O-N 3.04Å; D289-R291 VanDerWaalsContact O-N 3.08Å; D289-R291 VanDerWaalsContact OD1-CB 3.24Å; D289-R291 WeakPolarHBondContact OD1-CB 3.45Å; D289-R291 WeakPolarHBondContact OD1-CG 3.35Å; D289-R291 IonicContact OD1-CZ 2.66Å; D289-R291 PolarHBondContact OD1-N 3.02Å; D289-R291 IonicContact OD1-NH1 3.52Å; D289-R291 PolarHBondContact OD1-NH1 3.26Å; D289-R291 VanDerWaalsContact OD1-NH1 3.08Å; D289-R291 IonicContact OD2-CZ 2.65Å; D289-R291 IonicContact OD2-NH1 2.69Å; D289-R291 PolarHBondContact OD2-NH1 3.37Å; R291-N293 PolarHBondContact O-N 3.25Å; R291-M297 HydrophobicContact CB-SD 4.38Å; R291-M297 HydrophobicContact CG-CE 4.02Å; R291-M297 HydrophobicContact CG-SD 3.96Å
292	E	94.8	Very high	95.5	Very high	143 Å²	143	69.9 Å²	69.9	67%	0.668	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-69.6	-14.7	173.7	-62.7	176.9	-173	0	0	112.4	D289 V290	D289-E292 HydrophobicContact CB-CG 4.46Å; D289-E292 WeakPolarHBondContact O-CB 3.47Å; D289-E292 PolarHBondContact O-N 2.74Å; V290-E292 VanDerWaalsContact C-N 3.26Å; V290-E292 PolarHBondContact O-N 3.39Å
293	N	95.5	Very high	95.6	Very high	52 Å²	52	66.6 Å²	66.6	28%	0.278	31%	0.312	S	S	.	.			trans	-112.2	94.8	-174	-175.1	-18.5	0	0	0	111.3	V290 R291 R295 A296 M297 M325	V290-N293 PolarHBondContact O-N 3.04Å; V290-N293 VanDerWaalsContact O-N 3.08Å; R291-N293 PolarHBondContact O-N 3.25Å; N293-R295 PolarHBondContact O-N 2.81Å; N293-R295 WeakPolarHBondContact OD1-CB 3.24Å; N293-R295 PolarHBondContact OD1-N 3.45Å; N293-R295 VanDerWaalsContact OD1-N 3.13Å; N293-A296 HydrophobicContact CB-CB 3.88Å; N293-A296 WeakPolarHBondContact O-CA 3.32Å; N293-A296 WeakPolarHBondContact O-CB 3.49Å; N293-A296 PolarHBondContact O-N 2.97Å; N293-A296 PolarHBondContact OD1-N 2.69Å; N293-A296 VanDerWaalsContact OD1-N 3.17Å; N293-M297 PolarHBondContact O-N 3.3Å; N293-M325 HydrophobicContact CB-SD 3.62Å; N293-M325 WeakPolarHBondContact ND2-CG 3.5Å; N293-M325 PolarHBondContact ND2-SD 2.81Å
294	H	95.3	Very high	95.8	Very high	57 Å²	57	63.4 Å²	63.4	26%	0.264	30%	0.297	S	S	.	.	H	α-helix	trans	-50.8	-34.6	177.9	-56.7	-87.5	0	0	0	113.8	P86 E115 M297 A298	P86-H294 HydrophobicContact CG-CB 3.81Å; E115-H294 VanDerWaalsContact CA-CE1 3.5Å; E115-H294 WeakPolarHBondContact CA-CE1 3.4Å; E115-H294 HydrophobicContact CB-CB 4.41Å; E115-H294 WeakPolarHBondContact CB-ND1 3.39Å; E115-H294 PolarHBondContact N-CE1 2.85Å; E115-H294 IonicContact OE2-CE1 3.97Å; E115-H294 IonicContact OE2-CG 2.64Å; E115-H294 IonicContact OE2-ND1 3.98Å; E115-H294 PolarHBondContact OE2-ND1 2.94Å; H294-M297 PolarHBondContact O-N 3.04Å; H294-A298 VanDerWaalsContact O-CB 3.29Å; H294-A298 WeakPolarHBondContact O-CB 3.21Å; H294-A298 PolarHBondContact O-N 3.26Å
295	R	95.8	Very high	96	Very high	135 Å²	135	56.7 Å²	56.7	51%	0.509	27%	0.268	S	S	.	.	H	α-helix	trans	-70.8	-37.1	178.1	167.4	157.5	-175.9	-135.7	-2.6	111.7	V83 N293 K299	V83-R295 VanDerWaalsContact O-CG 3.31Å; V83-R295 WeakPolarHBondContact O-CG 3.42Å; N293-R295 PolarHBondContact O-N 2.81Å; N293-R295 WeakPolarHBondContact OD1-CB 3.24Å; N293-R295 PolarHBondContact OD1-N 3.45Å; N293-R295 VanDerWaalsContact OD1-N 3.13Å; R295-K299 PolarHBondContact O-N 2.97Å; R295-K299 VanDerWaalsContact O-N 3.14Å
296	A	96.9	Very high	96.3	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-69.4	-44	172.6	0	0	0	0	0	111.2	V290 N293 A298 K299 L300 L324 M325	V290-A296 HydrophobicContact CG2-CB 3.41Å; V290-A296 VanDerWaalsContact CG2-CB 3.41Å; N293-A296 HydrophobicContact CB-CB 3.88Å; N293-A296 WeakPolarHBondContact O-CA 3.32Å; N293-A296 WeakPolarHBondContact O-CB 3.49Å; N293-A296 PolarHBondContact O-N 2.97Å; N293-A296 PolarHBondContact OD1-N 2.69Å; N293-A296 VanDerWaalsContact OD1-N 3.17Å; A296-A298 VanDerWaalsContact C-N 3.31Å; A296-A298 PolarHBondContact O-N 2.75Å; A296-K299 WeakPolarHBondContact O-CB 3.17Å; A296-K299 PolarHBondContact O-N 3.1Å; A296-K299 VanDerWaalsContact O-N 3.1Å; A296-L300 PolarHBondContact O-N 2.84Å; A296-L324 HydrophobicContact CB-CD1 3.77Å; A296-L324 HydrophobicContact CB-CG 4.32Å; A296-L324 WeakPolarHBondContact CB-O 3.02Å; A296-L324 WeakPolarHBondContact O-CD1 3.49Å; A296-M325 HydrophobicContact CB-CB 4.22Å
297	M	97.7	Very high	96.6	Very high	21 Å²	21	55.1 Å²	55.1	10%	0.103	26%	0.257	C	S	.	.	H	α-helix	trans	-62.2	-35.1	175.1	-67.6	-59.7	-75.1	0	0	112.9	R273 D274 A277 V290 R291 N293 H294 L300 L301	R273-M297 HydrophobicContact CG-CE 4.03Å; D274-M297 WeakPolarHBondContact OD1-CE 3.43Å; A277-M297 HydrophobicContact CB-CE 4.36Å; A277-M297 HydrophobicContact CB-SD 4.03Å; V290-M297 HydrophobicContact CG1-SD 4.35Å; R291-M297 HydrophobicContact CB-SD 4.38Å; R291-M297 HydrophobicContact CG-CE 4.02Å; R291-M297 HydrophobicContact CG-SD 3.96Å; N293-M297 PolarHBondContact O-N 3.3Å; H294-M297 PolarHBondContact O-N 3.04Å; M297-L300 PolarHBondContact O-N 2.89Å; M297-L300 HydrophobicContact SD-CD1 4.08Å; M297-L301 WeakPolarHBondContact O-CB 3.39Å; M297-L301 PolarHBondContact O-N 2.94Å
298	A	96.7	Very high	97	Very high	13 Å²	13	50 Å²	50	11%	0.107	22%	0.221	C	C	.	.	H	α-helix	trans	-67.1	-37.5	172.3	0	0	0	0	0	112.7	P86 H294 A296 K302	P86-A298 HydrophobicContact CB-CB 4.4Å; H294-A298 VanDerWaalsContact O-CB 3.29Å; H294-A298 WeakPolarHBondContact O-CB 3.21Å; H294-A298 PolarHBondContact O-N 3.26Å; A296-A298 VanDerWaalsContact C-N 3.31Å; A296-A298 PolarHBondContact O-N 2.75Å; A298-K302 PolarHBondContact O-N 3.4Å
299	K	97.6	Very high	97.1	Very high	39 Å²	39	49.7 Å²	49.7	17%	0.17	23%	0.228	C	C	.	.	H	α-helix	trans	-61.2	-47.3	169.8	-72.2	-177.7	169.1	-168.5	0	111.2	V83 R295 A296 L301 K302 E303 V321 E322 G323 L324	V83-K299 HydrophobicContact CG1-CG 3.5Å; V83-K299 VanDerWaalsContact CG1-CG 3.5Å; R295-K299 PolarHBondContact O-N 2.97Å; R295-K299 VanDerWaalsContact O-N 3.14Å; A296-K299 WeakPolarHBondContact O-CB 3.17Å; A296-K299 PolarHBondContact O-N 3.1Å; A296-K299 VanDerWaalsContact O-N 3.1Å; K299-L301 PolarHBondContact O-N 2.65Å; K299-K302 PolarHBondContact O-N 2.7Å; K299-E303 PolarHBondContact O-N 3.2Å; K299-E303 VanDerWaalsContact O-N 3.11Å; K299-V321 HydrophobicContact CB-CG1 3.78Å; K299-V321 HydrophobicContact CD-CG1 3.71Å; K299-V321 HydrophobicContact CG-CG1 4.24Å; K299-E322 PolarHBondContact NZ-O 3.43Å; K299-G323 VanDerWaalsContact NZ-C 3.34Å; K299-G323 PolarHBondContact NZ-O 2.89Å; K299-L324 HydrophobicContact CB-CD1 3.9Å; K299-L324 HydrophobicContact CD-CD1 4.11Å
300	L	98.4	Very high	97.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-63.4	-38.5	179.6	-70	-178.7	0	0	0	112.5	R273 L276 A277 V290 A296 M297 E303 A304 L324 F330	R273-L300 HydrophobicContact CG-CB 3.96Å; L276-L300 HydrophobicContact CB-CD2 3.81Å; L276-L300 HydrophobicContact CD1-CD2 4.14Å; A277-L300 HydrophobicContact CB-CD1 3.71Å; V290-L300 HydrophobicContact CG1-CD1 4.13Å; V290-L300 HydrophobicContact CG2-CD1 4.28Å; A296-L300 PolarHBondContact O-N 2.84Å; M297-L300 PolarHBondContact O-N 2.89Å; M297-L300 HydrophobicContact SD-CD1 4.08Å; L300-E303 PolarHBondContact O-N 2.91Å; L300-A304 WeakPolarHBondContact O-CB 3.07Å; L300-A304 PolarHBondContact O-N 2.73Å; L300-L324 HydrophobicContact CD1-CD2 4.32Å; L300-L324 HydrophobicContact CD2-CD1 3.98Å; L300-L324 HydrophobicContact CD2-CD2 3.66Å; L300-L324 HydrophobicContact CG-CD1 3.83Å; L300-L324 HydrophobicContact CG-CD2 4.11Å; L300-F330 HydrophobicContact CD2-CD1 4.16Å; L300-F330 HydrophobicContact CD2-CE1 4.22Å
301	L	97.8	Very high	97.3	Very high	17 Å²	17	48.8 Å²	48.8	9%	0.089	22%	0.224	C	C	.	.	H	α-helix	trans	-65.1	-41.6	176.6	-178.6	58.6	0	0	0	111.8	F266 D269 L270 R273 M297 K299 E303 A304 Q305	F266-L301 HydrophobicContact CE2-CD1 4.03Å; F266-L301 HydrophobicContact CE2-CD2 4.15Å; D269-L301 HydrophobicContact CB-CD1 3.92Å; L270-L301 HydrophobicContact CD2-CD1 4.42Å; R273-L301 HydrophobicContact CB-CD1 4.42Å; R273-L301 HydrophobicContact CG-CB 4.21Å; M297-L301 WeakPolarHBondContact O-CB 3.39Å; M297-L301 PolarHBondContact O-N 2.94Å; K299-L301 PolarHBondContact O-N 2.65Å; L301-E303 VanDerWaalsContact C-N 3.29Å; L301-E303 PolarHBondContact O-N 2.76Å; L301-A304 PolarHBondContact O-N 3.34Å; L301-Q305 WeakPolarHBondContact O-CG 3.45Å; L301-Q305 PolarHBondContact O-N 3.49Å
302	K	97.4	Very high	97.4	Very high	146 Å²	146	45.5 Å²	45.5	64%	0.635	22%	0.216	S	C	*	.	H	α-helix	trans	-60.4	-39.4	174.5	-176.6	-178.9	176.4	-176.2	0	111.8	V83 A298 K299 R306	V83-K302 HydrophobicContact CG2-CB 4.5Å; V83-K302 HydrophobicContact CG2-CD 4.17Å; A298-K302 PolarHBondContact O-N 3.4Å; K299-K302 PolarHBondContact O-N 2.7Å; K302-R306 PolarHBondContact O-N 3.11Å
303	E	98.4	Very high	97.5	Very high	14 Å²	14	42.3 Å²	42.3	7%	0.065	21%	0.214	C	C	.	.	H	α-helix	trans	-73.4	-37.4	177.2	-175.9	67.7	164.4	0	0	112.4	L276 K299 L300 L301 Q305 R306 L307 A319 Q320 V321	L276-E303 HydrophobicContact CD1-CB 4.16Å; L276-E303 HydrophobicContact CD1-CG 3.93Å; K299-E303 PolarHBondContact O-N 3.2Å; K299-E303 VanDerWaalsContact O-N 3.11Å; L300-E303 PolarHBondContact O-N 2.91Å; L301-E303 VanDerWaalsContact C-N 3.29Å; L301-E303 PolarHBondContact O-N 2.76Å; E303-Q305 PolarHBondContact O-N 2.89Å; E303-R306 CarbonylContact O-C 3.48Å; E303-R306 WeakPolarHBondContact O-CB 3.38Å; E303-R306 PolarHBondContact O-N 3.15Å; E303-R306 VanDerWaalsContact O-N 3.13Å; E303-R306 IonicContact OE1-CZ 3.6Å; E303-R306 IonicContact OE1-NE 3.61Å; E303-R306 IonicContact OE1-NH2 2.66Å; E303-R306 PolarHBondContact OE1-NH2 3.09Å; E303-R306 IonicContact OE2-CZ 2.65Å; E303-R306 VanDerWaalsContact OE2-CZ 3.26Å; E303-R306 IonicContact OE2-NE 3.08Å; E303-R306 PolarHBondContact OE2-NE 3.04Å; E303-R306 IonicContact OE2-NH2 2.87Å; E303-R306 PolarHBondContact OE2-NH2 3.32Å; E303-L307 WeakPolarHBondContact O-CG 3.16Å; E303-L307 PolarHBondContact O-N 2.91Å; E303-A319 HydrophobicContact CG-CB 4.33Å; E303-A319 VanDerWaalsContact OE1-CA 3.27Å; E303-A319 WeakPolarHBondContact OE1-CA 3.48Å; E303-Q320 PolarHBondContact OE1-N 3.14Å; E303-V321 HydrophobicContact CB-CG2 3.78Å; E303-V321 HydrophobicContact CG-CG2 3.87Å
304	A	98.6	Very high	97.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-59.9	-43.6	173.7	0	0	0	0	0	112.5	D269 L272 R273 L300 L301 R306 L307 K308	D269-A304 VanDerWaalsContact O-CB 3.28Å; D269-A304 WeakPolarHBondContact O-CB 3.42Å; L272-A304 HydrophobicContact CB-CB 3.66Å; R273-A304 HydrophobicContact CB-CB 4.11Å; L300-A304 WeakPolarHBondContact O-CB 3.07Å; L300-A304 PolarHBondContact O-N 2.73Å; L301-A304 PolarHBondContact O-N 3.34Å; A304-R306 VanDerWaalsContact C-N 3.25Å; A304-R306 PolarHBondContact O-N 2.94Å; A304-L307 WeakPolarHBondContact O-CB 3.36Å; A304-L307 PolarHBondContact O-N 2.7Å; A304-L307 VanDerWaalsContact O-N 3.16Å; A304-K308 PolarHBondContact O-N 2.89Å
305	Q	97.4	Very high	97.8	Very high	35 Å²	35	46.1 Å²	46.1	16%	0.164	24%	0.24	C	C	.	.	H	α-helix	trans	-59.9	-36.4	174	-73.5	-171.9	-34.3	0	0	112.5	E36 D269 L301 E303 T309	E36-Q305 PolarHBondContact OE1-NE2 2.78Å; D269-Q305 HydrophobicContact CB-CG 3.97Å; D269-Q305 VanDerWaalsContact CG-CG 3.42Å; D269-Q305 WeakPolarHBondContact OD1-CA 3.38Å; D269-Q305 WeakPolarHBondContact OD2-CG 3.23Å; D269-Q305 PolarHBondContact OD2-NE2 3.11Å; L301-Q305 WeakPolarHBondContact O-CG 3.45Å; L301-Q305 PolarHBondContact O-N 3.49Å; E303-Q305 PolarHBondContact O-N 2.89Å; Q305-T309 PolarHBondContact O-N 2.72Å; Q305-T309 PolarHBondContact O-OG1 3.45Å
306	R	97.9	Very high	97.9	Very high	97 Å²	97	42.5 Å²	42.5	37%	0.366	23%	0.231	S	C	.	.	H	α-helix	trans	-71.5	-42.6	174.1	-163.4	174.5	69.3	89	-8.6	111.7	K302 E303 A304 T309 V310 F317	K302-R306 PolarHBondContact O-N 3.11Å; E303-R306 CarbonylContact O-C 3.48Å; E303-R306 WeakPolarHBondContact O-CB 3.38Å; E303-R306 PolarHBondContact O-N 3.15Å; E303-R306 VanDerWaalsContact O-N 3.13Å; E303-R306 IonicContact OE1-CZ 3.6Å; E303-R306 IonicContact OE1-NE 3.61Å; E303-R306 IonicContact OE1-NH2 2.66Å; E303-R306 PolarHBondContact OE1-NH2 3.09Å; E303-R306 IonicContact OE2-CZ 2.65Å; E303-R306 VanDerWaalsContact OE2-CZ 3.26Å; E303-R306 IonicContact OE2-NE 3.08Å; E303-R306 PolarHBondContact OE2-NE 3.04Å; E303-R306 IonicContact OE2-NH2 2.87Å; E303-R306 PolarHBondContact OE2-NH2 3.32Å; A304-R306 VanDerWaalsContact C-N 3.25Å; A304-R306 PolarHBondContact O-N 2.94Å; R306-T309 WeakPolarHBondContact O-CB 3.29Å; R306-T309 PolarHBondContact O-N 3.31Å; R306-V310 HydrophobicContact CG-CG2 4.37Å; R306-V310 WeakPolarHBondContact O-CG2 3.39Å; R306-V310 PolarHBondContact O-N 3.14Å; R306-F317 VanDerWaalsContact NH1-CE1 3.33Å
307	L	98.2	Very high	97.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-58.3	-52.7	175.8	-79	170.8	0	0	0	112	L272 L276 E303 A304 T309 V310 L311 F317 A319 V334	L272-L307 HydrophobicContact CD1-CB 4.19Å; L276-L307 HydrophobicContact CD1-CD1 3.84Å; L276-L307 HydrophobicContact CD2-CD1 3.85Å; L276-L307 HydrophobicContact CG-CD1 4.15Å; E303-L307 WeakPolarHBondContact O-CG 3.16Å; E303-L307 PolarHBondContact O-N 2.91Å; A304-L307 WeakPolarHBondContact O-CB 3.36Å; A304-L307 PolarHBondContact O-N 2.7Å; A304-L307 VanDerWaalsContact O-N 3.16Å; L307-T309 PolarHBondContact O-N 3.42Å; L307-V310 PolarHBondContact O-N 2.82Å; L307-V310 VanDerWaalsContact O-N 3.09Å; L307-L311 HydrophobicContact CB-CD1 4.39Å; L307-L311 VanDerWaalsContact O-CB 3.3Å; L307-L311 WeakPolarHBondContact O-CB 3.39Å; L307-L311 VanDerWaalsContact O-CG 3.28Å; L307-L311 WeakPolarHBondContact O-CG 3.33Å; L307-L311 PolarHBondContact O-N 2.78Å; L307-F317 HydrophobicContact CD2-CB 4Å; L307-F317 HydrophobicContact CD2-CD1 3.73Å; L307-F317 HydrophobicContact CD2-CG 4.3Å; L307-A319 HydrophobicContact CD1-CB 4.02Å; L307-A319 HydrophobicContact CD2-CB 4.21Å; L307-A319 HydrophobicContact CG-CB 4.47Å; L307-V334 HydrophobicContact CD1-CB 4.48Å; L307-V334 HydrophobicContact CD1-CG2 4.15Å; L307-V334 HydrophobicContact CD2-CB 4.27Å
308	K	98.4	Very high	98	Very high	27 Å²	27	48.1 Å²	48.1	12%	0.117	26%	0.257	C	S	.	.	H	α-helix	trans	-51.5	-43.6	176.9	-173.6	-177.6	74.5	-152.1	0	111.7	G265 M268 D269 L272 A304 S312 F339 V380	G265-K308 PolarHBondContact O-NZ 3.17Å; M268-K308 HydrophobicContact CB-CD 3.96Å; M268-K308 HydrophobicContact SD-CD 4.38Å; D269-K308 WeakPolarHBondContact OD1-CD 3.46Å; D269-K308 VanDerWaalsContact OD1-CE 3.28Å; D269-K308 WeakPolarHBondContact OD1-CE 3.11Å; D269-K308 IonicContact OD1-NZ 2.87Å; D269-K308 PolarHBondContact OD1-NZ 3.32Å; D269-K308 IonicContact OD2-NZ 2.71Å; D269-K308 PolarHBondContact OD2-NZ 2.79Å; L272-K308 HydrophobicContact CD1-CB 3.87Å; A304-K308 PolarHBondContact O-N 2.89Å; K308-S312 WeakPolarHBondContact O-CB 3.44Å; K308-S312 PolarHBondContact O-N 2.76Å; K308-S312 VanDerWaalsContact O-N 3.17Å; K308-S312 PolarHBondContact O-OG 2.87Å; K308-F339 HydrophobicContact CG-CE1 4.5Å; K308-F339 HydrophobicContact CG-CZ 3.94Å; K308-V380 HydrophobicContact CG-CG2 4.3Å
309	T	97.7	Very high	98	Very high	99 Å²	99	47.5 Å²	47.5	61%	0.607	25%	0.252	S	S	*	.	H	α-helix	trans	-66.7	-46.5	178.8	-53.3	0	0	0	0	112	Q305 R306 L307	Q305-T309 PolarHBondContact O-N 2.72Å; Q305-T309 PolarHBondContact O-OG1 3.45Å; R306-T309 WeakPolarHBondContact O-CB 3.29Å; R306-T309 PolarHBondContact O-N 3.31Å; L307-T309 PolarHBondContact O-N 3.42Å
310	V	98.1	Very high	98	Very high	32 Å²	32	49.6 Å²	49.6	19%	0.194	26%	0.262	C	S	.	.	H	α-helix	trans	-71.6	-41.7	-178.2	173.9	0	0	0	0	112	R306 L307 S312 A313 N314 F317	R306-V310 HydrophobicContact CG-CG2 4.37Å; R306-V310 WeakPolarHBondContact O-CG2 3.39Å; R306-V310 PolarHBondContact O-N 3.14Å; L307-V310 PolarHBondContact O-N 2.82Å; L307-V310 VanDerWaalsContact O-N 3.09Å; V310-S312 VanDerWaalsContact C-N 3.25Å; V310-S312 PolarHBondContact O-N 2.8Å; V310-A313 PolarHBondContact O-N 2.57Å; V310-A313 VanDerWaalsContact O-N 3.1Å; V310-N314 HydrophobicContact CG1-CB 4.37Å; V310-N314 WeakPolarHBondContact O-CB 3.45Å; V310-N314 PolarHBondContact O-N 2.83Å; V310-N314 PolarHBondContact O-ND2 3.46Å; V310-F317 HydrophobicContact CG1-CB 3.94Å; V310-F317 HydrophobicContact CG1-CD2 3.65Å; V310-F317 HydrophobicContact CG1-CE2 4.49Å; V310-F317 HydrophobicContact CG1-CG 3.86Å
311	L	98.5	Very high	98	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-69.9	-20.2	178.3	-65	176.3	0	0	0	112.8	L307 A313 N314 F317 V334 R336 F339	L307-L311 HydrophobicContact CB-CD1 4.39Å; L307-L311 VanDerWaalsContact O-CB 3.3Å; L307-L311 WeakPolarHBondContact O-CB 3.39Å; L307-L311 VanDerWaalsContact O-CG 3.28Å; L307-L311 WeakPolarHBondContact O-CG 3.33Å; L307-L311 PolarHBondContact O-N 2.78Å; L311-A313 PolarHBondContact O-N 2.96Å; L311-N314 CarbonylContact C-O 3.58Å; L311-N314 WeakPolarHBondContact CA-O 3.46Å; L311-F317 HydrophobicContact CD2-CB 4.29Å; L311-V334 HydrophobicContact CD1-CG1 4.08Å; L311-R336 VanDerWaalsContact O-CZ 3.31Å; L311-R336 PolarHBondContact O-NE 2.88Å; L311-R336 PolarHBondContact O-NH2 3.18Å; L311-F339 HydrophobicContact CB-CD1 4.46Å; L311-F339 HydrophobicContact CD1-CB 3.88Å; L311-F339 HydrophobicContact CD1-CD1 4.48Å; L311-F339 HydrophobicContact CD1-CG 4.29Å
312	S	97.6	Very high	97.9	Very high	27 Å²	27	56.1 Å²	56.1	19%	0.189	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-24.2	169.7	-63.1	0	0	0	0	112.6	K308 V310 P381	K308-S312 WeakPolarHBondContact O-CB 3.44Å; K308-S312 PolarHBondContact O-N 2.76Å; K308-S312 VanDerWaalsContact O-N 3.17Å; K308-S312 PolarHBondContact O-OG 2.87Å; V310-S312 VanDerWaalsContact C-N 3.25Å; V310-S312 PolarHBondContact O-N 2.8Å; S312-P381 WeakPolarHBondContact O-CG 3.26Å
313	A	97.7	Very high	97.8	Very high	77 Å²	77	50.1 Å²	50.1	64%	0.636	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	-43.5	174.8	0	0	0	0	0	112.8	V310 L311 R336	V310-A313 PolarHBondContact O-N 2.57Å; V310-A313 VanDerWaalsContact O-N 3.1Å; L311-A313 PolarHBondContact O-N 2.96Å; A313-R336 PolarHBondContact O-NH2 3.26Å
314	N	98	Very high	97.8	Very high	84 Å²	84	49.7 Å²	49.7	45%	0.449	27%	0.271	S	S	.	.	S	Bend	trans	-102.4	159.1	-171.8	-58.2	-87.2	0	0	0	112.1	V310 L311 R336	V310-N314 HydrophobicContact CG1-CB 4.37Å; V310-N314 WeakPolarHBondContact O-CB 3.45Å; V310-N314 PolarHBondContact O-N 2.83Å; V310-N314 PolarHBondContact O-ND2 3.46Å; L311-N314 CarbonylContact C-O 3.58Å; L311-N314 WeakPolarHBondContact CA-O 3.46Å; N314-R336 VanDerWaalsContact C-NH2 3.29Å; N314-R336 PolarHBondContact O-NE 3.12Å; N314-R336 PolarHBondContact O-NH2 2.92Å
315	V	98.2	Very high	97.6	Very high	105 Å²	105	50 Å²	50	64%	0.636	27%	0.273	S	S	*	.	S	Bend	trans	-80.4	-23.4	178.8	-64.3	0	0	0	0	113.4	R336	V315-R336 WeakPolarHBondContact O-CB 3.23Å; V315-R336 PolarHBondContact O-N 3.39Å
316	D	98.3	Very high	97.3	Very high	59 Å²	59	52.1 Å²	52.1	32%	0.316	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	170.9	174	68.4	65.6	0	0	0	112.1	K333 V334 T335	D316-K333 VanDerWaalsContact CB-CE 3.44Å; D316-K333 WeakPolarHBondContact OD1-CE 3.32Å; D316-K333 IonicContact OD1-NZ 3.72Å; D316-K333 WeakPolarHBondContact OD2-CE 3.44Å; D316-K333 IonicContact OD2-NZ 3.99Å; D316-K333 PolarHBondContact OD2-NZ 2.67Å; D316-V334 CarbonylContact C-O 3.5Å; D316-V334 WeakPolarHBondContact CA-O 3.44Å; D316-T335 HydrophobicContact CB-CG2 3.94Å
317	F	98.4	Very high	97	Very high	58 Å²	58	54.9 Å²	54.9	25%	0.254	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	152.3	171.9	-172.2	-97.7	0	0	0	112.4	R306 L307 V310 L311 A319 V334	R306-F317 VanDerWaalsContact NH1-CE1 3.33Å; L307-F317 HydrophobicContact CD2-CB 4Å; L307-F317 HydrophobicContact CD2-CD1 3.73Å; L307-F317 HydrophobicContact CD2-CG 4.3Å; V310-F317 HydrophobicContact CG1-CB 3.94Å; V310-F317 HydrophobicContact CG1-CD2 3.65Å; V310-F317 HydrophobicContact CG1-CE2 4.49Å; V310-F317 HydrophobicContact CG1-CG 3.86Å; L311-F317 HydrophobicContact CD2-CB 4.29Å; F317-A319 PolarHBondContact O-N 3.34Å; F317-V334 PolarHBondContact N-O 3.34Å; F317-V334 PolarHBondContact O-N 3.17Å
318	M	98.2	Very high	96.9	Very high	81 Å²	81	56.2 Å²	56.2	40%	0.399	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	88.3	173.6	-72.2	-58.7	-51.9	0	0	111.4	Q320 K331 A332 K333	M318-Q320 PolarHBondContact O-N 2.84Å; M318-K331 HydrophobicContact CE-CD 4.42Å; M318-K331 HydrophobicContact CE-CG 3.9Å; M318-A332 CarbonylContact C-O 3.36Å; M318-A332 WeakPolarHBondContact CA-O 3.17Å; M318-K333 HydrophobicContact CE-CB 4.36Å; M318-K333 HydrophobicContact SD-CB 3.56Å; M318-K333 VanDerWaalsContact SD-CB 3.56Å; M318-K333 HydrophobicContact SD-CD 4.35Å; M318-K333 HydrophobicContact SD-CG 3.83Å
319	A	98	Very high	96.8	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.8	133.6	172.8	0	0	0	0	0	111.1	L276 E303 L307 F317 F330 K331 A332 V334	L276-A319 HydrophobicContact CD2-CB 4.05Å; E303-A319 HydrophobicContact CG-CB 4.33Å; E303-A319 VanDerWaalsContact OE1-CA 3.27Å; E303-A319 WeakPolarHBondContact OE1-CA 3.48Å; L307-A319 HydrophobicContact CD1-CB 4.02Å; L307-A319 HydrophobicContact CD2-CB 4.21Å; L307-A319 HydrophobicContact CG-CB 4.47Å; F317-A319 PolarHBondContact O-N 3.34Å; A319-F330 HydrophobicContact CB-CE1 4.47Å; A319-K331 VanDerWaalsContact O-CA 3.29Å; A319-K331 WeakPolarHBondContact O-CA 3.38Å; A319-A332 PolarHBondContact N-O 2.66Å; A319-A332 PolarHBondContact O-N 2.89Å; A319-V334 HydrophobicContact CB-CG2 4.36Å
320	Q	97.8	Very high	96.9	Very high	82 Å²	82	54.9 Å²	54.9	38%	0.383	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	130.1	-179.7	-175.5	172.7	-48.8	0	0	111.4	E303 M318 F330 K331	E303-Q320 PolarHBondContact OE1-N 3.14Å; M318-Q320 PolarHBondContact O-N 2.84Å; Q320-F330 WeakPolarHBondContact CA-O 3.16Å; Q320-K331 HydrophobicContact CB-CG 4.48Å
321	V	97.7	Very high	96.8	Very high	15 Å²	15	58.6 Å²	58.6	9%	0.091	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	114.5	177.4	179.7	0	0	0	0	109.7	K299 E303 L324 F330	K299-V321 HydrophobicContact CB-CG1 3.78Å; K299-V321 HydrophobicContact CD-CG1 3.71Å; K299-V321 HydrophobicContact CG-CG1 4.24Å; E303-V321 HydrophobicContact CB-CG2 3.78Å; E303-V321 HydrophobicContact CG-CG2 3.87Å; V321-L324 HydrophobicContact CB-CB 4.49Å; V321-L324 HydrophobicContact CG1-CB 4.04Å; V321-L324 HydrophobicContact CG1-CD1 3.96Å; V321-F330 HydrophobicContact CB-CB 4.35Å; V321-F330 HydrophobicContact CB-CD1 4.3Å; V321-F330 HydrophobicContact CG2-CD1 4.28Å; V321-F330 PolarHBondContact N-O 3.12Å; V321-F330 PolarHBondContact O-N 2.89Å
322	E	96.4	Very high	96.8	Very high	139 Å²	139	59.1 Å²	59.1	65%	0.65	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.4	136.8	-179.8	-68.8	164.8	-171.2	0	0	111.9	K299 L324 D329	K299-E322 PolarHBondContact NZ-O 3.43Å; E322-L324 VanDerWaalsContact C-N 3.31Å; E322-L324 PolarHBondContact O-N 2.65Å; E322-D329 VanDerWaalsContact CA-OD1 3.22Å; E322-D329 WeakPolarHBondContact CA-OD1 3.44Å
323	G	95.5	Very high	96.9	Very high	21 Å²	21	62.9 Å²	62.9	22%	0.216	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	45.1	49	179.5	0	0	0	0	0	113.6	K299 M325 I328 D329	K299-G323 VanDerWaalsContact NZ-C 3.34Å; K299-G323 PolarHBondContact NZ-O 2.89Å; G323-M325 PolarHBondContact O-N 3.22Å; G323-I328 CarbonylContact C-O 3.51Å; G323-D329 PolarHBondContact N-OD1 3.31Å
324	L	96.5	Very high	96.9	Very high	4 Å²	4	59.2 Å²	59.2	2%	0.021	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56	-51	-169.7	171.1	57.6	0	0	0	111.8	F280 V290 A296 K299 L300 V321 E322 I328 F330	F280-L324 HydrophobicContact CB-CD2 4.13Å; F280-L324 HydrophobicContact CD1-CD2 4.43Å; F280-L324 HydrophobicContact CD2-CD2 3.62Å; F280-L324 HydrophobicContact CD2-CG 4.49Å; F280-L324 HydrophobicContact CE2-CB 4.38Å; F280-L324 HydrophobicContact CE2-CD2 4.05Å; F280-L324 HydrophobicContact CE2-CG 4.46Å; F280-L324 HydrophobicContact CG-CD2 3.79Å; V290-L324 HydrophobicContact CG2-CD1 4.41Å; V290-L324 HydrophobicContact CG2-CD2 4.22Å; V290-L324 HydrophobicContact CG2-CG 4.17Å; A296-L324 HydrophobicContact CB-CD1 3.77Å; A296-L324 HydrophobicContact CB-CG 4.32Å; A296-L324 WeakPolarHBondContact CB-O 3.02Å; A296-L324 WeakPolarHBondContact O-CD1 3.49Å; K299-L324 HydrophobicContact CB-CD1 3.9Å; K299-L324 HydrophobicContact CD-CD1 4.11Å; L300-L324 HydrophobicContact CD1-CD2 4.32Å; L300-L324 HydrophobicContact CD2-CD1 3.98Å; L300-L324 HydrophobicContact CD2-CD2 3.66Å; L300-L324 HydrophobicContact CG-CD1 3.83Å; L300-L324 HydrophobicContact CG-CD2 4.11Å; V321-L324 HydrophobicContact CB-CB 4.49Å; V321-L324 HydrophobicContact CG1-CB 4.04Å; V321-L324 HydrophobicContact CG1-CD1 3.96Å; E322-L324 VanDerWaalsContact C-N 3.31Å; E322-L324 PolarHBondContact O-N 2.65Å; L324-I328 PolarHBondContact N-O 3.14Å; L324-F330 HydrophobicContact CB-CB 4.03Å; L324-F330 HydrophobicContact CD2-CB 3.59Å; L324-F330 HydrophobicContact CD2-CD1 4.26Å; L324-F330 HydrophobicContact CD2-CG 3.92Å; L324-F330 HydrophobicContact CG-CB 4.46Å
325	M	94.9	Very high	96.9	Very high	6 Å²	6	56.9 Å²	56.9	3%	0.03	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	146.4	173.2	-177.3	163.5	77.1	0	0	109.3	F280 K288 V290 N293 A296 G323 D327 I328	F280-M325 HydrophobicContact CE1-CB 4.45Å; F280-M325 HydrophobicContact CE1-CE 4.11Å; F280-M325 HydrophobicContact CZ-CB 4.28Å; K288-M325 HydrophobicContact CB-CE 3.94Å; V290-M325 HydrophobicContact CB-CE 4.18Å; V290-M325 HydrophobicContact CG2-CB 4.43Å; V290-M325 HydrophobicContact CG2-SD 4.49Å; N293-M325 HydrophobicContact CB-SD 3.62Å; N293-M325 WeakPolarHBondContact ND2-CG 3.5Å; N293-M325 PolarHBondContact ND2-SD 2.81Å; A296-M325 HydrophobicContact CB-CB 4.22Å; G323-M325 PolarHBondContact O-N 3.22Å; M325-D327 PolarHBondContact O-N 3.48Å; M325-D327 VanDerWaalsContact O-N 3.14Å; M325-I328 VanDerWaalsContact O-CB 3.31Å; M325-I328 WeakPolarHBondContact O-CB 3.31Å; M325-I328 PolarHBondContact O-N 3.22Å
326	D	91.1	Very high	97	Very high	81 Å²	81	54.4 Å²	54.4	43%	0.433	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.4	37.8	-179.9	-50.8	-42.5	0	0	0	113.2	S286 K288 I328	S286-D326 WeakPolarHBondContact CB-OD2 3.33Å; S286-D326 PolarHBondContact OG-OD2 3.41Å; K288-D326 IonicContact NZ-OD1 2.76Å; D326-I328 HydrophobicContact CB-CD1 4.19Å; D326-I328 PolarHBondContact O-N 2.97Å; D326-I328 VanDerWaalsContact O-N 3.16Å
327	D	92.8	Very high	97	Very high	154 Å²	154	55.9 Å²	55.9	82%	0.824	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	19.3	-174.4	-58.3	-40.1	0	0	0	115.9	M325	M325-D327 PolarHBondContact O-N 3.48Å; M325-D327 VanDerWaalsContact O-N 3.14Å
328	I	95.9	Very high	97	Very high	29 Å²	29	56.3 Å²	56.3	15%	0.149	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	123.1	176.4	-60	155.2	0	0	0	110.9	F280 K285 G323 L324 M325 D326	F280-I328 HydrophobicContact CE2-CB 4.14Å; F280-I328 HydrophobicContact CE2-CG2 3.76Å; F280-I328 HydrophobicContact CZ-CB 4.23Å; F280-I328 HydrophobicContact CZ-CD1 4.24Å; F280-I328 HydrophobicContact CZ-CG2 4.21Å; K285-I328 HydrophobicContact CB-CD1 3.84Å; K285-I328 HydrophobicContact CB-CG1 4.36Å; K285-I328 HydrophobicContact CB-CG2 3.88Å; K285-I328 HydrophobicContact CD-CG2 3.42Å; K285-I328 VanDerWaalsContact CD-CG2 3.42Å; K285-I328 HydrophobicContact CG-CG2 4.32Å; K285-I328 WeakPolarHBondContact O-CD1 3.23Å; G323-I328 CarbonylContact C-O 3.51Å; L324-I328 PolarHBondContact N-O 3.14Å; M325-I328 VanDerWaalsContact O-CB 3.31Å; M325-I328 WeakPolarHBondContact O-CB 3.31Å; M325-I328 PolarHBondContact O-N 3.22Å; D326-I328 HydrophobicContact CB-CD1 4.19Å; D326-I328 PolarHBondContact O-N 2.97Å; D326-I328 VanDerWaalsContact O-N 3.16Å
329	D	96.8	Very high	97	Very high	98 Å²	98	52.6 Å²	52.6	52%	0.524	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	132.1	168.5	-67.6	-28.9	0	0	0	112.2	K285 E322 G323	K285-D329 PolarHBondContact NZ-O 3.22Å; E322-D329 VanDerWaalsContact CA-OD1 3.22Å; E322-D329 WeakPolarHBondContact CA-OD1 3.44Å; G323-D329 PolarHBondContact N-OD1 3.31Å
330	F	98	Very high	97	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	132.8	171.6	173.9	-114.4	0	0	0	110.6	L276 L279 F280 L300 A319 Q320 V321 L324 A332	L276-F330 HydrophobicContact CB-CE1 4.06Å; L276-F330 HydrophobicContact CB-CZ 4.12Å; L276-F330 HydrophobicContact CD1-CE1 4.28Å; L276-F330 HydrophobicContact CD2-CE1 3.91Å; L276-F330 HydrophobicContact CD2-CZ 3.93Å; L276-F330 HydrophobicContact CG-CE1 4.3Å; L279-F330 HydrophobicContact CB-CE2 4.06Å; L279-F330 HydrophobicContact CB-CZ 4.16Å; F280-F330 HydrophobicContact CB-CD2 3.78Å; F280-F330 HydrophobicContact CB-CE2 3.97Å; F280-F330 HydrophobicContact CB-CG 4.48Å; F280-F330 HydrophobicContact CD2-CB 3.91Å; F280-F330 AromaticContact CD2-CD2 3.84Å; F280-F330 HydrophobicContact CD2-CD2 3.84Å; F280-F330 HydrophobicContact CD2-CG 4.19Å; F280-F330 HydrophobicContact CE2-CB 4.46Å; F280-F330 HydrophobicContact CG-CD2 4.31Å; L300-F330 HydrophobicContact CD2-CD1 4.16Å; L300-F330 HydrophobicContact CD2-CE1 4.22Å; A319-F330 HydrophobicContact CB-CE1 4.47Å; Q320-F330 WeakPolarHBondContact CA-O 3.16Å; V321-F330 HydrophobicContact CB-CB 4.35Å; V321-F330 HydrophobicContact CB-CD1 4.3Å; V321-F330 HydrophobicContact CG2-CD1 4.28Å; V321-F330 PolarHBondContact N-O 3.12Å; V321-F330 PolarHBondContact O-N 2.89Å; L324-F330 HydrophobicContact CB-CB 4.03Å; L324-F330 HydrophobicContact CD2-CB 3.59Å; L324-F330 HydrophobicContact CD2-CD1 4.26Å; L324-F330 HydrophobicContact CD2-CG 3.92Å; L324-F330 HydrophobicContact CG-CB 4.46Å; F330-A332 HydrophobicContact CE1-CB 4.4Å; F330-A332 HydrophobicContact CE2-CB 3.95Å; F330-A332 HydrophobicContact CZ-CB 3.62Å
331	K	97.7	Very high	97	Very high	109 Å²	109	56.8 Å²	56.8	47%	0.474	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	138.4	170.2	-168.1	164.5	-172.4	151.7	0	109.5	Q283 M318 A319 Q320	Q283-K331 PolarHBondContact NE2-O 3.36Å; M318-K331 HydrophobicContact CE-CD 4.42Å; M318-K331 HydrophobicContact CE-CG 3.9Å; A319-K331 VanDerWaalsContact O-CA 3.29Å; A319-K331 WeakPolarHBondContact O-CA 3.38Å; Q320-K331 HydrophobicContact CB-CG 4.48Å
332	A	98	Very high	97.1	Very high	13 Å²	13	58.6 Å²	58.6	11%	0.107	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	153.8	178.1	0	0	0	0	0	110.7	L279 M318 A319 F330	L279-A332 HydrophobicContact CD1-CB 3.81Å; M318-A332 CarbonylContact C-O 3.36Å; M318-A332 WeakPolarHBondContact CA-O 3.17Å; A319-A332 PolarHBondContact N-O 2.66Å; A319-A332 PolarHBondContact O-N 2.89Å; F330-A332 HydrophobicContact CE1-CB 4.4Å; F330-A332 HydrophobicContact CE2-CB 3.95Å; F330-A332 HydrophobicContact CZ-CB 3.62Å
333	K	98.3	Very high	97.2	Very high	106 Å²	106	52 Å²	52	46%	0.461	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	141.3	162.7	-167.3	172	-178.8	176.8	0	108.4	D316 M318	D316-K333 VanDerWaalsContact CB-CE 3.44Å; D316-K333 WeakPolarHBondContact OD1-CE 3.32Å; D316-K333 IonicContact OD1-NZ 3.72Å; D316-K333 WeakPolarHBondContact OD2-CE 3.44Å; D316-K333 IonicContact OD2-NZ 3.99Å; D316-K333 PolarHBondContact OD2-NZ 2.67Å; M318-K333 HydrophobicContact CE-CB 4.36Å; M318-K333 HydrophobicContact SD-CB 3.56Å; M318-K333 VanDerWaalsContact SD-CB 3.56Å; M318-K333 HydrophobicContact SD-CD 4.35Å; M318-K333 HydrophobicContact SD-CG 3.83Å
334	V	98.6	Very high	97.3	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	131	168.6	-175.9	0	0	0	0	108	L272 L276 L307 L311 D316 F317 A319	L272-V334 HydrophobicContact CD2-CG1 4.3Å; L276-V334 HydrophobicContact CD2-CG2 3.83Å; L307-V334 HydrophobicContact CD1-CB 4.48Å; L307-V334 HydrophobicContact CD1-CG2 4.15Å; L307-V334 HydrophobicContact CD2-CB 4.27Å; L311-V334 HydrophobicContact CD1-CG1 4.08Å; D316-V334 CarbonylContact C-O 3.5Å; D316-V334 WeakPolarHBondContact CA-O 3.44Å; F317-V334 PolarHBondContact N-O 3.34Å; F317-V334 PolarHBondContact O-N 3.17Å; A319-V334 HydrophobicContact CB-CG2 4.36Å
335	T	98.7	Very high	97.4	Very high	34 Å²	34	56.3 Å²	56.3	21%	0.209	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	162.8	178	66.6	0	0	0	0	111.9	D316 V337 E338 F339	D316-T335 HydrophobicContact CB-CG2 3.94Å; T335-V337 VanDerWaalsContact C-N 3.25Å; T335-V337 PolarHBondContact O-N 3.39Å; T335-E338 VanDerWaalsContact CB-OE2 3.26Å; T335-E338 WeakPolarHBondContact CB-OE2 3.47Å; T335-E338 VanDerWaalsContact CG2-OE2 3.32Å; T335-E338 WeakPolarHBondContact CG2-OE2 3.39Å; T335-E338 PolarHBondContact N-OE2 2.85Å; T335-E338 WeakPolarHBondContact OG1-CG 3.33Å; T335-E338 PolarHBondContact OG1-N 2.71Å; T335-E338 VanDerWaalsContact OG1-N 3.11Å; T335-E338 PolarHBondContact OG1-OE2 3.02Å; T335-F339 PolarHBondContact O-N 3.48Å; T335-F339 VanDerWaalsContact O-N 3.14Å
336	R	98.7	Very high	97.6	Very high	54 Å²	54	56.1 Å²	56.1	20%	0.204	29%	0.29	C	S	.	.	H	α-helix	trans	-62.1	-35.8	169.2	-177	-174.9	-62.6	172.7	1.4	111.3	L311 A313 N314 V315 F339 E340	L311-R336 VanDerWaalsContact O-CZ 3.31Å; L311-R336 PolarHBondContact O-NE 2.88Å; L311-R336 PolarHBondContact O-NH2 3.18Å; A313-R336 PolarHBondContact O-NH2 3.26Å; N314-R336 VanDerWaalsContact C-NH2 3.29Å; N314-R336 PolarHBondContact O-NE 3.12Å; N314-R336 PolarHBondContact O-NH2 2.92Å; V315-R336 WeakPolarHBondContact O-CB 3.23Å; V315-R336 PolarHBondContact O-N 3.39Å; R336-F339 PolarHBondContact O-N 3.06Å; R336-E340 VanDerWaalsContact CD-OE1 3.24Å; R336-E340 WeakPolarHBondContact CD-OE1 3.15Å; R336-E340 HydrophobicContact CG-CG 4.24Å; R336-E340 VanDerWaalsContact CG-OE1 3.23Å; R336-E340 WeakPolarHBondContact CG-OE1 3.43Å; R336-E340 WeakPolarHBondContact O-CB 3.45Å; R336-E340 WeakPolarHBondContact O-CG 3.45Å; R336-E340 PolarHBondContact O-N 3.23Å
337	V	98.5	Very high	97.9	Very high	90 Å²	90	52.6 Å²	52.6	55%	0.545	27%	0.271	S	S	.	.	H	α-helix	trans	-64.5	-49.8	-179.5	-177.8	0	0	0	0	110.5	T335 F339 E340 E341	T335-V337 VanDerWaalsContact C-N 3.25Å; T335-V337 PolarHBondContact O-N 3.39Å; V337-F339 VanDerWaalsContact C-N 3.3Å; V337-F339 PolarHBondContact O-N 3.18Å; V337-E340 PolarHBondContact O-N 3Å; V337-E340 VanDerWaalsContact O-N 3.08Å; V337-E341 HydrophobicContact CG1-CG 4.49Å; V337-E341 WeakPolarHBondContact O-CG 3.14Å; V337-E341 PolarHBondContact O-N 3.28Å
338	E	98.3	Very high	98.2	Very high	67 Å²	67	51.7 Å²	51.7	31%	0.313	27%	0.266	S	S	.	.	H	α-helix	trans	-59.9	-40	175.1	-68.6	157.9	127	0	0	111.7	T335 E341 L342	T335-E338 VanDerWaalsContact CB-OE2 3.26Å; T335-E338 WeakPolarHBondContact CB-OE2 3.47Å; T335-E338 VanDerWaalsContact CG2-OE2 3.32Å; T335-E338 WeakPolarHBondContact CG2-OE2 3.39Å; T335-E338 PolarHBondContact N-OE2 2.85Å; T335-E338 WeakPolarHBondContact OG1-CG 3.33Å; T335-E338 PolarHBondContact OG1-N 2.71Å; T335-E338 VanDerWaalsContact OG1-N 3.11Å; T335-E338 PolarHBondContact OG1-OE2 3.02Å; E338-E341 PolarHBondContact O-N 2.84Å; E338-L342 WeakPolarHBondContact O-CB 3.46Å; E338-L342 WeakPolarHBondContact O-CD1 3.23Å; E338-L342 WeakPolarHBondContact O-CG 3.47Å; E338-L342 PolarHBondContact O-N 3.07Å
339	F	98.6	Very high	98.3	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.009	27%	0.272	C	S	.	.	H	α-helix	trans	-62.2	-41.2	173.8	168.6	-126.1	0	0	0	112.5	M268 L272 K308 L311 T335 R336 V337 C343 V380	M268-F339 HydrophobicContact CB-CE2 4Å; M268-F339 HydrophobicContact CB-CZ 4.22Å; M268-F339 HydrophobicContact CG-CE2 4.47Å; M268-F339 HydrophobicContact CG-CZ 4.44Å; M268-F339 HydrophobicContact SD-CZ 4.14Å; L272-F339 HydrophobicContact CD1-CD2 3.62Å; L272-F339 HydrophobicContact CD1-CE2 3.72Å; L272-F339 HydrophobicContact CD1-CG 4.4Å; L272-F339 HydrophobicContact CD2-CB 4.18Å; L272-F339 HydrophobicContact CD2-CD2 3.72Å; L272-F339 HydrophobicContact CD2-CG 4.26Å; L272-F339 HydrophobicContact CG-CD2 3.63Å; L272-F339 HydrophobicContact CG-CE2 4.03Å; K308-F339 HydrophobicContact CG-CE1 4.5Å; K308-F339 HydrophobicContact CG-CZ 3.94Å; L311-F339 HydrophobicContact CB-CD1 4.46Å; L311-F339 HydrophobicContact CD1-CB 3.88Å; L311-F339 HydrophobicContact CD1-CD1 4.48Å; L311-F339 HydrophobicContact CD1-CG 4.29Å; T335-F339 PolarHBondContact O-N 3.48Å; T335-F339 VanDerWaalsContact O-N 3.14Å; R336-F339 PolarHBondContact O-N 3.06Å; V337-F339 VanDerWaalsContact C-N 3.3Å; V337-F339 PolarHBondContact O-N 3.18Å; F339-C343 VanDerWaalsContact CE2-SG 3.59Å; F339-C343 PolarHBondContact O-N 3.01Å; F339-C343 PolarHBondContact O-SG 3.4Å; F339-C343 VanDerWaalsContact O-SG 3.38Å; F339-V380 HydrophobicContact CE1-CG1 3.94Å; F339-V380 HydrophobicContact CE1-CG2 4.41Å; F339-V380 HydrophobicContact CZ-CG1 4.41Å; F339-V380 HydrophobicContact CZ-CG2 4.45Å
340	E	98.5	Very high	98.4	Very high	35 Å²	35	49.1 Å²	49.1	16%	0.164	25%	0.247	C	C	.	.	H	α-helix	trans	-70.2	-38.8	179.3	-75.3	179.1	-162.5	0	0	111.9	R336 V337 C343 A344 F347 K382	R336-E340 VanDerWaalsContact CD-OE1 3.24Å; R336-E340 WeakPolarHBondContact CD-OE1 3.15Å; R336-E340 HydrophobicContact CG-CG 4.24Å; R336-E340 VanDerWaalsContact CG-OE1 3.23Å; R336-E340 WeakPolarHBondContact CG-OE1 3.43Å; R336-E340 WeakPolarHBondContact O-CB 3.45Å; R336-E340 WeakPolarHBondContact O-CG 3.45Å; R336-E340 PolarHBondContact O-N 3.23Å; V337-E340 PolarHBondContact O-N 3Å; V337-E340 VanDerWaalsContact O-N 3.08Å; E340-C343 CarbonylContact O-C 3.55Å; E340-C343 PolarHBondContact O-N 3.16Å; E340-A344 PolarHBondContact O-N 2.83Å; E340-F347 HydrophobicContact CB-CE2 4.22Å; E340-F347 HydrophobicContact CG-CE2 4.26Å; E340-F347 WeakPolarHBondContact O-CE2 3.37Å; E340-K382 HydrophobicContact CG-CB 3.89Å; E340-K382 HydrophobicContact CG-CG 4.08Å; E340-K382 WeakPolarHBondContact OE2-CD 3.23Å; E340-K382 WeakPolarHBondContact OE2-CE 3.4Å; E340-K382 IonicContact OE2-NZ 4Å
341	E	98.6	Very high	98.4	Very high	135 Å²	135	51.2 Å²	51.2	63%	0.631	26%	0.261	S	S	*	.	H	α-helix	trans	-63.1	-42.4	173.6	-71.6	172.1	177.6	0	0	112.3	V337 E338 C343 A344	V337-E341 HydrophobicContact CG1-CG 4.49Å; V337-E341 WeakPolarHBondContact O-CG 3.14Å; V337-E341 PolarHBondContact O-N 3.28Å; E338-E341 PolarHBondContact O-N 2.84Å; E341-C343 PolarHBondContact O-N 3.01Å; E341-C343 VanDerWaalsContact O-N 3.13Å; E341-A344 PolarHBondContact O-N 3.18Å
342	L	98.6	Very high	98.4	Very high	54 Å²	54	47.6 Å²	47.6	28%	0.283	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-14.4	176.9	-74.4	166.1	0	0	0	114.6	R271 H275 E338	R271-L342 HydrophobicContact CB-CB 4.36Å; R271-L342 PolarHBondContact NH1-O 3.47Å; H275-L342 HydrophobicContact CB-CD1 3.69Å; H275-L342 HydrophobicContact CB-CD2 4.23Å; E338-L342 WeakPolarHBondContact O-CB 3.46Å; E338-L342 WeakPolarHBondContact O-CD1 3.23Å; E338-L342 WeakPolarHBondContact O-CG 3.47Å; E338-L342 PolarHBondContact O-N 3.07Å
343	C	98.6	Very high	98.4	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.9	14.4	-174.8	-57.5	0	0	0	0	113.1	F339 E340 E341 D345 L346 F347	F339-C343 VanDerWaalsContact CE2-SG 3.59Å; F339-C343 PolarHBondContact O-N 3.01Å; F339-C343 PolarHBondContact O-SG 3.4Å; F339-C343 VanDerWaalsContact O-SG 3.38Å; E340-C343 CarbonylContact O-C 3.55Å; E340-C343 PolarHBondContact O-N 3.16Å; E341-C343 PolarHBondContact O-N 3.01Å; E341-C343 VanDerWaalsContact O-N 3.13Å; C343-D345 VanDerWaalsContact C-N 3.28Å; C343-D345 PolarHBondContact O-N 2.93Å; C343-L346 HydrophobicContact CB-CD1 4.12Å; C343-L346 HydrophobicContact CB-CG 4.46Å; C343-L346 WeakPolarHBondContact O-CA 3.4Å; C343-L346 WeakPolarHBondContact O-CB 3.46Å; C343-L346 PolarHBondContact O-N 3.32Å; C343-F347 HydrophobicContact CB-CD2 4.27Å; C343-F347 HydrophobicContact CB-CE2 3.54Å; C343-F347 HydrophobicContact CB-CZ 3.72Å; C343-F347 WeakPolarHBondContact O-CD2 3.23Å; C343-F347 PolarHBondContact O-N 2.9Å; C343-F347 VanDerWaalsContact O-N 3.13Å
344	A	98.5	Very high	98.5	Very high	47 Å²	47	42.3 Å²	42.3	39%	0.388	23%	0.229	S	C	.	.	H	α-helix	trans	-54.3	-42.7	-177	0	0	0	0	0	113	E340 E341 L346 F347 D348	E340-A344 PolarHBondContact O-N 2.83Å; E341-A344 PolarHBondContact O-N 3.18Å; A344-L346 PolarHBondContact O-N 3.15Å; A344-F347 PolarHBondContact O-N 2.68Å; A344-F347 VanDerWaalsContact O-N 3.09Å; A344-D348 PolarHBondContact O-N 3.19Å
345	D	98.1	Very high	98.5	Very high	69 Å²	69	48 Å²	48	37%	0.369	26%	0.256	S	S	.	.	H	α-helix	trans	-60.4	-26.9	175.5	65.2	-55.7	0	0	0	113.8	R271 C343 R349	R271-D345 IonicContact CZ-OD1 3.98Å; R271-D345 IonicContact CZ-OD2 2.88Å; R271-D345 VanDerWaalsContact NH1-CG 3.3Å; R271-D345 IonicContact NH1-OD1 2.69Å; R271-D345 PolarHBondContact NH1-OD1 3.09Å; R271-D345 IonicContact NH1-OD2 3.94Å; R271-D345 PolarHBondContact NH1-OD2 3.1Å; R271-D345 VanDerWaalsContact NH1-OD2 3.13Å; R271-D345 IonicContact NH2-OD1 3.11Å; R271-D345 IonicContact NH2-OD2 2.69Å; R271-D345 PolarHBondContact NH2-OD2 2.89Å; C343-D345 VanDerWaalsContact C-N 3.28Å; C343-D345 PolarHBondContact O-N 2.93Å; D345-R349 WeakPolarHBondContact O-CD 3.42Å; D345-R349 WeakPolarHBondContact O-CG 3.47Å
346	L	98.4	Very high	98.4	Very high	1 Å²	1	49 Å²	49	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-81.5	-37.4	175.4	-51.9	-177.9	0	0	0	111.1	L263 E267 M268 C343 A344 R349	L263-L346 HydrophobicContact CD1-CB 3.74Å; L263-L346 HydrophobicContact CD1-CD2 4.44Å; L263-L346 WeakPolarHBondContact CD1-O 3.21Å; E267-L346 HydrophobicContact CB-CD1 4.12Å; E267-L346 HydrophobicContact CG-CD1 3.82Å; E267-L346 HydrophobicContact CG-CD2 3.91Å; E267-L346 HydrophobicContact CG-CG 4.5Å; M268-L346 HydrophobicContact CG-CD1 3.85Å; C343-L346 HydrophobicContact CB-CD1 4.12Å; C343-L346 HydrophobicContact CB-CG 4.46Å; C343-L346 WeakPolarHBondContact O-CA 3.4Å; C343-L346 WeakPolarHBondContact O-CB 3.46Å; C343-L346 PolarHBondContact O-N 3.32Å; A344-L346 PolarHBondContact O-N 3.15Å; L346-R349 PolarHBondContact O-N 3.42Å
347	F	98.6	Very high	98.4	Very high	8 Å²	8	46.5 Å²	46.5	4%	0.035	25%	0.249	C	C	.	.	H	α-helix	trans	-71.4	-35.6	178.7	-56.9	-50.4	0	0	0	112.4	M268 E340 C343 A344 R349 V350 V380 K382 V383 V386	M268-F347 HydrophobicContact CE-CD1 4.39Å; M268-F347 HydrophobicContact CE-CE1 3.63Å; M268-F347 HydrophobicContact CE-CZ 4.29Å; E340-F347 HydrophobicContact CB-CE2 4.22Å; E340-F347 HydrophobicContact CG-CE2 4.26Å; E340-F347 WeakPolarHBondContact O-CE2 3.37Å; C343-F347 HydrophobicContact CB-CD2 4.27Å; C343-F347 HydrophobicContact CB-CE2 3.54Å; C343-F347 HydrophobicContact CB-CZ 3.72Å; C343-F347 WeakPolarHBondContact O-CD2 3.23Å; C343-F347 PolarHBondContact O-N 2.9Å; C343-F347 VanDerWaalsContact O-N 3.13Å; A344-F347 PolarHBondContact O-N 2.68Å; A344-F347 VanDerWaalsContact O-N 3.09Å; F347-R349 PolarHBondContact O-N 3.49Å; F347-R349 VanDerWaalsContact O-N 3.15Å; F347-V350 VanDerWaalsContact O-CB 3.32Å; F347-V350 WeakPolarHBondContact O-CB 3.39Å; F347-V350 PolarHBondContact O-N 2.89Å; F347-V350 VanDerWaalsContact O-N 3.11Å; F347-V380 HydrophobicContact CE1-CG1 4.22Å; F347-V380 HydrophobicContact CZ-CG1 4.32Å; F347-K382 HydrophobicContact CB-CG 4.5Å; F347-K382 HydrophobicContact CD1-CB 4.16Å; F347-K382 HydrophobicContact CD1-CG 4.07Å; F347-K382 HydrophobicContact CD2-CB 4.31Å; F347-K382 HydrophobicContact CD2-CG 3.61Å; F347-K382 HydrophobicContact CE1-CB 3.89Å; F347-K382 HydrophobicContact CE1-CG 4.2Å; F347-K382 HydrophobicContact CE2-CB 4.05Å; F347-K382 HydrophobicContact CE2-CG 3.75Å; F347-K382 HydrophobicContact CG-CB 4.38Å; F347-K382 HydrophobicContact CG-CG 3.79Å; F347-K382 HydrophobicContact CZ-CB 3.84Å; F347-K382 HydrophobicContact CZ-CG 4.06Å; F347-V383 HydrophobicContact CD1-CG2 4.01Å; F347-V383 HydrophobicContact CE1-CG2 3.75Å; F347-V386 HydrophobicContact CB-CG2 4.31Å
348	D	98.4	Very high	98.4	Very high	134 Å²	134	42.8 Å²	42.8	72%	0.717	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.7	174.2	-74.4	-23.2	0	0	0	113	A344 P351	A344-D348 PolarHBondContact O-N 3.19Å; D348-P351 WeakPolarHBondContact O-CD 3.38Å
349	R	98.1	Very high	98.4	Very high	74 Å²	74	43.7 Å²	43.7	28%	0.279	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-17.8	176.4	-66.7	163	63.8	159.9	0.7	114.3	D260 S262 L263 D345 L346 F347 P351 G352 P353	D260-R349 IonicContact OD1-CZ 2.73Å; D260-R349 IonicContact OD1-NH2 2.7Å; D260-R349 PolarHBondContact OD1-NH2 2.89Å; D260-R349 IonicContact OD2-CZ 3.18Å; D260-R349 VanDerWaalsContact OD2-CZ 3.25Å; D260-R349 IonicContact OD2-NE 3.86Å; D260-R349 PolarHBondContact OD2-NE 2.91Å; D260-R349 IonicContact OD2-NH2 3.41Å; D260-R349 PolarHBondContact OD2-NH2 3.08Å; S262-R349 PolarHBondContact OG-NH2 3.14Å; L263-R349 HydrophobicContact CD1-CB 4.42Å; L263-R349 HydrophobicContact CD2-CB 3.86Å; D345-R349 WeakPolarHBondContact O-CD 3.42Å; D345-R349 WeakPolarHBondContact O-CG 3.47Å; L346-R349 PolarHBondContact O-N 3.42Å; F347-R349 PolarHBondContact O-N 3.49Å; F347-R349 VanDerWaalsContact O-N 3.15Å; R349-P351 VanDerWaalsContact C-N 3.31Å; R349-G352 PolarHBondContact O-N 3.49Å; R349-P353 WeakPolarHBondContact O-CD 3.46Å
350	V	98.6	Very high	98.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-38.1	179.8	164.5	0	0	0	0	114.1	Y224 L263 F347 G352 V383 V386 L387	Y224-V350 WeakPolarHBondContact OH-CG1 3.28Å; Y224-V350 PolarHBondContact OH-O 3.33Å; L263-V350 HydrophobicContact CD2-CG2 4.47Å; F347-V350 VanDerWaalsContact O-CB 3.32Å; F347-V350 WeakPolarHBondContact O-CB 3.39Å; F347-V350 PolarHBondContact O-N 2.89Å; F347-V350 VanDerWaalsContact O-N 3.11Å; V350-G352 VanDerWaalsContact C-N 3.33Å; V350-G352 PolarHBondContact O-N 3.47Å; V350-V383 HydrophobicContact CG2-CG1 4.25Å; V350-V386 HydrophobicContact CB-CG1 4.06Å; V350-V386 HydrophobicContact CG1-CB 4.32Å; V350-V386 HydrophobicContact CG1-CG1 4.1Å; V350-L387 HydrophobicContact CG1-CB 3.88Å; V350-L387 HydrophobicContact CG1-CD1 4.34Å
351	P	98.6	Very high	98.3	Very high	44 Å²	44	43.7 Å²	43.7	29%	0.286	24%	0.243	S	C	.	.	H	α-helix	trans	-72	-19.1	176.3	-20.1	34.8	0	0	0	115.1	D348 R349 V354 Q355 V386 A390	D348-P351 WeakPolarHBondContact O-CD 3.38Å; R349-P351 VanDerWaalsContact C-N 3.31Å; P351-V354 WeakPolarHBondContact O-CB 3.36Å; P351-V354 PolarHBondContact O-N 2.93Å; P351-Q355 PolarHBondContact O-N 3.49Å; P351-Q355 VanDerWaalsContact O-N 3.12Å; P351-V386 HydrophobicContact CG-CG1 4.02Å; P351-A390 HydrophobicContact CB-CB 3.92Å; P351-A390 HydrophobicContact CG-CB 4.01Å
352	G	98	Very high	98.3	Very high	32 Å²	32	44.9 Å²	44.9	33%	0.33	25%	0.253	S	S	.	.	H	α-helix	trans	-57.7	-58	-171.6	0	0	0	0	0	113.5	R349 V350 V354 Q355 E356	R349-G352 PolarHBondContact O-N 3.49Å; V350-G352 VanDerWaalsContact C-N 3.33Å; V350-G352 PolarHBondContact O-N 3.47Å; G352-V354 PolarHBondContact O-N 3.06Å; G352-Q355 PolarHBondContact O-N 3.21Å; G352-Q355 VanDerWaalsContact O-N 3.1Å; G352-E356 PolarHBondContact O-N 3.12Å
353	P	98.4	Very high	98.3	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.013	25%	0.249	C	C	.	.	H	α-helix	trans	-54.8	-36.1	176.9	-30.6	38.3	0	0	0	113.7	T231 A233 G258 D260 R349 A357	T231-P353 HydrophobicContact CG2-CB 4.38Å; T231-P353 HydrophobicContact CG2-CG 3.9Å; A233-P353 HydrophobicContact CB-CB 3.81Å; A233-P353 WeakPolarHBondContact CB-O 3.47Å; G258-P353 WeakPolarHBondContact CA-O 3.41Å; D260-P353 HydrophobicContact CB-CG 4Å; R349-P353 WeakPolarHBondContact O-CD 3.46Å; P353-A357 VanDerWaalsContact O-CB 3.3Å; P353-A357 WeakPolarHBondContact O-CB 3.46Å; P353-A357 PolarHBondContact O-N 3.19Å
354	V	98.8	Very high	98.2	Very high	6 Å²	6	51.9 Å²	51.9	4%	0.036	28%	0.282	C	S	.	.	H	α-helix	trans	-63.6	-48.5	177.3	175.5	0	0	0	0	110.9	M222 Y224 A233 P351 G352 A357 L358 L387 V391	M222-V354 HydrophobicContact CE-CG1 4Å; M222-V354 HydrophobicContact SD-CB 4.49Å; M222-V354 HydrophobicContact SD-CG1 3.99Å; M222-V354 HydrophobicContact SD-CG2 4.2Å; Y224-V354 HydrophobicContact CD2-CG2 3.76Å; Y224-V354 HydrophobicContact CE2-CG2 3.86Å; A233-V354 HydrophobicContact CB-CG2 4.35Å; P351-V354 WeakPolarHBondContact O-CB 3.36Å; P351-V354 PolarHBondContact O-N 2.93Å; G352-V354 PolarHBondContact O-N 3.06Å; V354-A357 PolarHBondContact O-N 3.08Å; V354-L358 HydrophobicContact CG1-CD1 4.08Å; V354-L358 WeakPolarHBondContact O-CG 3.27Å; V354-L358 PolarHBondContact O-N 3.13Å; V354-L387 HydrophobicContact CG2-CD1 3.65Å; V354-V391 HydrophobicContact CG1-CG1 4.12Å; V354-V391 HydrophobicContact CG2-CG1 4.41Å
355	Q	98.3	Very high	98.1	Very high	119 Å²	119	51.6 Å²	51.6	56%	0.556	27%	0.274	S	S	*	.	H	α-helix	trans	-65	-41.3	179	-179.5	56.6	54.1	0	0	111.5	P351 G352 T359	P351-Q355 PolarHBondContact O-N 3.49Å; P351-Q355 VanDerWaalsContact O-N 3.12Å; G352-Q355 PolarHBondContact O-N 3.21Å; G352-Q355 VanDerWaalsContact O-N 3.1Å; Q355-T359 PolarHBondContact NE2-OG1 2.91Å; Q355-T359 WeakPolarHBondContact O-CB 3.46Å; Q355-T359 PolarHBondContact O-N 3.4Å; Q355-T359 PolarHBondContact O-OG1 3.39Å
356	E	98.2	Very high	98	Very high	57 Å²	57	55.7 Å²	55.7	27%	0.266	29%	0.291	S	S	.	.	H	α-helix	trans	-62	-44.1	174.5	-78.3	179.8	-168.4	0	0	112.5	G258 F259 G352 T359 A360	G258-E356 VanDerWaalsContact CA-CB 3.44Å; G258-E356 VanDerWaalsContact CA-OE2 3.27Å; G258-E356 WeakPolarHBondContact CA-OE2 3.45Å; F259-E356 PolarHBondContact N-OE2 2.81Å; G352-E356 PolarHBondContact O-N 3.12Å; E356-T359 PolarHBondContact O-N 3.08Å; E356-A360 VanDerWaalsContact O-CB 3.31Å; E356-A360 WeakPolarHBondContact O-CB 3.11Å; E356-A360 PolarHBondContact O-N 3.24Å
357	A	98.7	Very high	98	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-62.8	-45.5	179.6	0	0	0	0	0	111.4	A233 I235 P353 V354 T359 A360 A361	A233-A357 HydrophobicContact CB-CB 4.1Å; A233-A357 WeakPolarHBondContact O-CB 3.49Å; I235-A357 HydrophobicContact CD1-CB 4.1Å; I235-A357 WeakPolarHBondContact CD1-O 3.32Å; I235-A357 HydrophobicContact CG1-CB 4.19Å; P353-A357 VanDerWaalsContact O-CB 3.3Å; P353-A357 WeakPolarHBondContact O-CB 3.46Å; P353-A357 PolarHBondContact O-N 3.19Å; V354-A357 PolarHBondContact O-N 3.08Å; A357-T359 VanDerWaalsContact C-N 3.34Å; A357-T359 PolarHBondContact O-N 2.81Å; A357-A360 PolarHBondContact O-N 2.85Å; A357-A361 WeakPolarHBondContact O-CB 3.49Å; A357-A361 PolarHBondContact O-N 2.97Å
358	L	98.6	Very high	97.9	Very high	12 Å²	12	57.6 Å²	57.6	6%	0.063	31%	0.308	C	S	.	.	H	α-helix	trans	-58.8	-45.1	174.3	-73.5	167.3	0	0	0	111.6	M222 I235 V354 A361 D362 M363 L365 I368	M222-L358 HydrophobicContact CE-CD2 4.26Å; M222-L358 HydrophobicContact CE-CG 4.09Å; I235-L358 HydrophobicContact CD1-CB 4.49Å; I235-L358 HydrophobicContact CD1-CD2 3.81Å; I235-L358 HydrophobicContact CD1-CG 4.12Å; V354-L358 HydrophobicContact CG1-CD1 4.08Å; V354-L358 WeakPolarHBondContact O-CG 3.27Å; V354-L358 PolarHBondContact O-N 3.13Å; L358-A361 PolarHBondContact O-N 3.26Å; L358-D362 PolarHBondContact O-N 3.38Å; L358-M363 WeakPolarHBondContact CB-O 3.44Å; L358-M363 HydrophobicContact CD2-CB 4.44Å; L358-M363 WeakPolarHBondContact CD2-O 3.23Å; L358-M363 PolarHBondContact O-N 2.66Å; L358-L365 HydrophobicContact CD1-CB 4.21Å; L358-L365 HydrophobicContact CD1-CD1 4.38Å; L358-I368 HydrophobicContact CD2-CD1 4.28Å; L358-I368 HydrophobicContact CD2-CG1 3.96Å
359	T	98	Very high	97.8	Very high	87 Å²	87	56.5 Å²	56.5	53%	0.534	30%	0.299	S	S	.	.	H	α-helix	trans	-66	-38.1	178.5	-51.8	0	0	0	0	111.9	Q355 E356 A357 A361 D362	Q355-T359 PolarHBondContact NE2-OG1 2.91Å; Q355-T359 WeakPolarHBondContact O-CB 3.46Å; Q355-T359 PolarHBondContact O-N 3.4Å; Q355-T359 PolarHBondContact O-OG1 3.39Å; E356-T359 PolarHBondContact O-N 3.08Å; A357-T359 VanDerWaalsContact C-N 3.34Å; A357-T359 PolarHBondContact O-N 2.81Å; T359-A361 VanDerWaalsContact C-N 3.34Å; T359-D362 PolarHBondContact O-N 2.84Å
360	A	97.7	Very high	97.8	Very high	19 Å²	19	55.3 Å²	55.3	16%	0.157	30%	0.297	C	S	.	.	H	α-helix	trans	-70.5	-29.6	176.8	0	0	0	0	0	113	E356 A357 M464	E356-A360 VanDerWaalsContact O-CB 3.31Å; E356-A360 WeakPolarHBondContact O-CB 3.11Å; E356-A360 PolarHBondContact O-N 3.24Å; A357-A360 PolarHBondContact O-N 2.85Å; A360-M464 HydrophobicContact CB-CG 4.22Å; A360-M464 HydrophobicContact CB-SD 4.31Å
361	A	97.8	Very high	97.8	Very high	18 Å²	18	55.4 Å²	55.4	15%	0.149	30%	0.297	C	S	.	.	H	α-helix	trans	-84.3	-11.5	177.8	0	0	0	0	0	114.5	I235 R255 A357 L358 T359 M363	I235-A361 HydrophobicContact CD1-CB 3.91Å; R255-A361 HydrophobicContact CB-CB 3.94Å; R255-A361 WeakPolarHBondContact O-CA 3.37Å; A357-A361 WeakPolarHBondContact O-CB 3.49Å; A357-A361 PolarHBondContact O-N 2.97Å; L358-A361 PolarHBondContact O-N 3.26Å; T359-A361 VanDerWaalsContact C-N 3.34Å; A361-M363 HydrophobicContact CB-CB 3.94Å; A361-M363 HydrophobicContact CB-CG 3.77Å; A361-M363 HydrophobicContact CB-SD 4.02Å; A361-M363 PolarHBondContact O-N 2.72Å
362	D	97.3	Very high	97.8	Very high	159 Å²	159	53.3 Å²	53.3	85%	0.85	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	44.8	-162.7	-164.2	27.4	0	0	0	112	L358 T359	L358-D362 PolarHBondContact O-N 3.38Å; T359-D362 PolarHBondContact O-N 2.84Å
363	M	97.8	Very high	97.8	Very high	40 Å²	40	52.2 Å²	52.2	20%	0.197	27%	0.27	C	S	.	.			trans	-121.6	147.6	-176.7	-72	-173.9	178.1	0	0	112	I235 R255 L358 A361	I235-M363 HydrophobicContact CG2-SD 3.86Å; R255-M363 HydrophobicContact CB-CE 4.29Å; R255-M363 HydrophobicContact CG-CE 3.92Å; L358-M363 WeakPolarHBondContact CB-O 3.44Å; L358-M363 HydrophobicContact CD2-CB 4.44Å; L358-M363 WeakPolarHBondContact CD2-O 3.23Å; L358-M363 PolarHBondContact O-N 2.66Å; A361-M363 HydrophobicContact CB-CB 3.94Å; A361-M363 HydrophobicContact CB-CG 3.77Å; A361-M363 HydrophobicContact CB-SD 4.02Å; A361-M363 PolarHBondContact O-N 2.72Å
364	K	97.4	Very high	97.7	Very high	161 Å²	161	52.2 Å²	52.2	70%	0.7	27%	0.27	S	S	*	.			trans	-95.6	157.4	169.3	-51.8	-174.3	178.4	-177.2	0	111.2	E366 A367	K364-E366 WeakPolarHBondContact CB-OE2 3.37Å; K364-E366 PolarHBondContact O-N 3.26Å; K364-A367 WeakPolarHBondContact O-CB 3.14Å; K364-A367 PolarHBondContact O-N 3.05Å
365	L	97	Very high	97.5	Very high	42 Å²	42	52.3 Å²	52.3	22%	0.22	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-64.2	-23.4	-174.6	-178.3	57.9	0	0	0	113.9	L358 A367 I368 V391 K393	L358-L365 HydrophobicContact CD1-CB 4.21Å; L358-L365 HydrophobicContact CD1-CD1 4.38Å; L365-A367 VanDerWaalsContact C-N 3.3Å; L365-I368 PolarHBondContact O-N 2.83Å; L365-V391 HydrophobicContact CD1-CB 4.18Å; L365-V391 WeakPolarHBondContact CD2-O 3.24Å; L365-K393 PolarHBondContact O-NZ 3.1Å
366	E	96.3	Very high	97.3	Very high	154 Å²	154	48.4 Å²	48.4	72%	0.72	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-71.2	-24.8	174.1	-53.1	78.1	-169.8	0	0	112.4	K364 I368	K364-E366 WeakPolarHBondContact CB-OE2 3.37Å; K364-E366 PolarHBondContact O-N 3.26Å; E366-I368 VanDerWaalsContact C-N 3.26Å; E366-I368 PolarHBondContact O-N 2.84Å
367	A	96.9	Very high	97.3	Very high	47 Å²	47	45.8 Å²	45.8	39%	0.388	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-79.9	-6.7	177.5	0	0	0	0	0	113.4	N220 K364 L365	N220-A367 WeakPolarHBondContact CB-O 3.43Å; N220-A367 PolarHBondContact ND2-O 2.84Å; K364-A367 WeakPolarHBondContact O-CB 3.14Å; K364-A367 PolarHBondContact O-N 3.05Å; L365-A367 VanDerWaalsContact C-N 3.3Å
368	I	98.1	Very high	97.2	Very high	2 Å²	2	46 Å²	46	1%	0.01	25%	0.253	C	S	.	.			trans	-91.2	120.8	175.4	-51.8	-57.2	0	0	0	109.2	N220 M222 I235 L358 L365 E366 V371 K393	N220-I368 HydrophobicContact CB-CD1 4.33Å; M222-I368 HydrophobicContact CB-CG2 3.77Å; M222-I368 HydrophobicContact CE-CG1 4.47Å; I235-I368 HydrophobicContact CB-CD1 4.49Å; I235-I368 HydrophobicContact CD1-CD1 3.95Å; I235-I368 HydrophobicContact CG1-CD1 3.98Å; I235-I368 HydrophobicContact CG2-CD1 3.69Å; L358-I368 HydrophobicContact CD2-CD1 4.28Å; L358-I368 HydrophobicContact CD2-CG1 3.96Å; L365-I368 PolarHBondContact O-N 2.83Å; E366-I368 VanDerWaalsContact C-N 3.26Å; E366-I368 PolarHBondContact O-N 2.84Å; I368-V371 HydrophobicContact CG2-CG2 4.2Å; I368-K393 PolarHBondContact O-NZ 3.17Å
369	E	96.1	Very high	97.1	Very high	112 Å²	112	51 Å²	51	52%	0.523	27%	0.271	S	S	.	.			trans	-76.3	-54.2	-177.8	-63.5	172.4	171	0	0	111	Q219 N220	Q219-E369 WeakPolarHBondContact CA-OE1 3.43Å; Q219-E369 WeakPolarHBondContact CA-OE2 3.44Å; Q219-E369 WeakPolarHBondContact CB-OE2 3.3Å; N220-E369 PolarHBondContact O-N 2.87Å
370	Q	96.5	Very high	97.2	Very high	49 Å²	49	47 Å²	47	23%	0.229	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	142.8	-179.2	-168.8	170.4	47.5	0	0	111.1	M222 I372 N399	M222-Q370 PolarHBondContact N-O 3.4Å; Q370-I372 HydrophobicContact CB-CG1 4.46Å; Q370-I372 HydrophobicContact CG-CD1 4.43Å; Q370-I372 HydrophobicContact CG-CG1 3.78Å; Q370-N399 PolarHBondContact OE1-ND2 2.77Å
371	V	98.5	Very high	97.2	Very high	1 Å²	1	48 Å²	48	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	122.8	165.9	-176.1	0	0	0	0	107.7	M222 I368 V391 K393 L396 G397	M222-V371 HydrophobicContact CB-CG2 4.25Å; M222-V371 HydrophobicContact CG-CG1 4.44Å; M222-V371 CarbonylContact O-C 3.57Å; M222-V371 VanDerWaalsContact O-CA 3.3Å; M222-V371 WeakPolarHBondContact O-CA 3.47Å; M222-V371 HydrophobicContact SD-CG1 4.33Å; M222-V371 HydrophobicContact SD-CG2 4.37Å; I368-V371 HydrophobicContact CG2-CG2 4.2Å; V371-V391 HydrophobicContact CG1-CG1 4.34Å; V371-V391 HydrophobicContact CG2-CB 3.99Å; V371-V391 HydrophobicContact CG2-CG1 4Å; V371-V391 HydrophobicContact CG2-CG2 4.11Å; V371-K393 HydrophobicContact CG2-CG 4.36Å; V371-L396 HydrophobicContact CB-CD2 4.07Å; V371-L396 HydrophobicContact CG1-CD2 3.97Å; V371-G397 PolarHBondContact O-N 3.08Å
372	I	98.6	Very high	97.2	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	133.4	-172.4	-58.7	178.3	0	0	0	110.1	Y206 V221 M222 F223 Y224 Q370 G397 N399 I400	Y206-I372 HydrophobicContact CD2-CD1 3.66Å; Y206-I372 HydrophobicContact CE2-CD1 3.19Å; V221-I372 HydrophobicContact CG1-CD1 3.46Å; V221-I372 VanDerWaalsContact CG1-CD1 3.46Å; V221-I372 HydrophobicContact CG1-CG1 3.96Å; M222-I372 PolarHBondContact O-N 3.02Å; F223-I372 HydrophobicContact CD1-CB 3.98Å; F223-I372 HydrophobicContact CD1-CD1 4.4Å; F223-I372 HydrophobicContact CD1-CG2 4.16Å; F223-I372 HydrophobicContact CE1-CB 4.21Å; F223-I372 HydrophobicContact CE1-CD1 3.78Å; F223-I372 HydrophobicContact CE1-CG2 4.28Å; F223-I372 HydrophobicContact CZ-CD1 4.26Å; Y224-I372 PolarHBondContact N-O 3.31Å; Q370-I372 HydrophobicContact CB-CG1 4.46Å; Q370-I372 HydrophobicContact CG-CD1 4.43Å; Q370-I372 HydrophobicContact CG-CG1 3.78Å; I372-G397 WeakPolarHBondContact CA-O 3.01Å; I372-N399 WeakPolarHBondContact CD1-OD1 3.45Å; I372-I400 HydrophobicContact CG2-CG2 3.67Å
373	L	98.4	Very high	97.3	Very high	10 Å²	10	41.9 Å²	41.9	5%	0.052	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	133.7	-179.5	-62.9	177	0	0	0	112.4	T378 Q384 L387 L396 G397 K398	L373-T378 HydrophobicContact CD2-CG2 4.03Å; L373-Q384 HydrophobicContact CD1-CG 3.72Å; L373-L387 HydrophobicContact CD2-CD2 3.64Å; L373-L396 HydrophobicContact CD1-CB 3.94Å; L373-L396 HydrophobicContact CD1-CD1 4.37Å; L373-L396 HydrophobicContact CD2-CB 4.39Å; L373-L396 HydrophobicContact CD2-CD1 4.25Å; L373-L396 HydrophobicContact CG-CB 4.01Å; L373-G397 PolarHBondContact N-O 2.9Å; L373-K398 HydrophobicContact CD1-CG 4.26Å
374	V	97.3	Very high	97.3	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.012	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	163.3	176.2	-165.6	0	0	0	0	108.5	V202 F223 Y224 D225 M226 T378 I400	V202-V374 HydrophobicContact CG1-CG1 4.24Å; V202-V374 HydrophobicContact CG1-CG2 3.84Å; V202-V374 HydrophobicContact CG2-CG1 3.98Å; F223-V374 HydrophobicContact CB-CG2 4.49Å; F223-V374 HydrophobicContact CD1-CG2 4.25Å; Y224-V374 PolarHBondContact O-N 3.37Å; D225-V374 WeakPolarHBondContact CA-O 3.44Å; D225-V374 HydrophobicContact CB-CB 3.98Å; D225-V374 HydrophobicContact CB-CG1 4.38Å; D225-V374 VanDerWaalsContact OD2-CG1 3.27Å; D225-V374 WeakPolarHBondContact OD2-CG1 3.3Å; M226-V374 PolarHBondContact N-O 3.31Å; M226-V374 VanDerWaalsContact N-O 3.13Å; V374-T378 WeakPolarHBondContact O-CG2 3.37Å; V374-T378 PolarHBondContact O-OG1 3.03Å; V374-I400 HydrophobicContact CG2-CG2 4.41Å
375	G	95	Very high	97.3	Very high	7 Å²	7	39.2 Å²	39.2	7%	0.072	20%	0.204	C	C	.	.	S	Bend	trans	78.4	152.1	178	0	0	0	0	0	114.4	D225 M226 A377 T378 A402	D225-G375 WeakPolarHBondContact OD1-CA 3.43Å; D225-G375 PolarHBondContact OD1-N 3.22Å; M226-G375 CarbonylContact O-C 3.51Å; M226-G375 WeakPolarHBondContact O-CA 3.27Å; G375-A377 PolarHBondContact O-N 2.77Å; G375-T378 PolarHBondContact O-OG1 2.93Å; G375-A402 PolarHBondContact N-O 2.89Å
376	G	94.1	Very high	97.4	Very high	37 Å²	37	38.4 Å²	38.4	38%	0.381	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-71.2	-27.3	-168.7	0	0	0	0	0	115.6	M226 R379	M226-G376 PolarHBondContact O-N 3.42Å; M226-G376 VanDerWaalsContact O-N 3.17Å; G376-R379 WeakPolarHBondContact O-CB 3.47Å
377	A	97.3	Very high	97.5	Very high	3 Å²	3	31 Å²	31	3%	0.025	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-85	-18	-173.8	0	0	0	0	0	113.5	M226 G227 G375 R379 V380	M226-A377 HydrophobicContact CB-CB 4.15Å; M226-A377 HydrophobicContact CE-CB 4.28Å; M226-A377 HydrophobicContact CG-CB 3.77Å; M226-A377 WeakPolarHBondContact O-CB 3.14Å; M226-A377 PolarHBondContact O-N 3.37Å; M226-A377 HydrophobicContact SD-CB 3.8Å; G227-A377 WeakPolarHBondContact O-CB 3.27Å; G375-A377 PolarHBondContact O-N 2.77Å; A377-R379 PolarHBondContact O-N 2.75Å; A377-V380 WeakPolarHBondContact O-CB 3.38Å; A377-V380 PolarHBondContact O-N 3.37Å
378	T	97.6	Very high	97.6	Very high	5 Å²	5	31.7 Å²	31.7	3%	0.031	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-59.6	-16.9	170.3	59.8	0	0	0	0	112.9	Y224 M226 L373 V374 G375 V380 Q384	Y224-T378 HydrophobicContact CD1-CG2 4.03Å; Y224-T378 HydrophobicContact CE1-CG2 4.32Å; M226-T378 HydrophobicContact CB-CG2 3.58Å; L373-T378 HydrophobicContact CD2-CG2 4.03Å; V374-T378 WeakPolarHBondContact O-CG2 3.37Å; V374-T378 PolarHBondContact O-OG1 3.03Å; G375-T378 PolarHBondContact O-OG1 2.93Å; T378-V380 PolarHBondContact O-N 3.44Å; T378-Q384 WeakPolarHBondContact O-CG 3.27Å; T378-Q384 PolarHBondContact O-NE2 3.25Å
379	R	96.6	Very high	97.6	Very high	115 Å²	115	40 Å²	40	43%	0.434	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-67.1	-17.4	173.9	-64.2	177.1	168.6	120.5	-9.9	113.7	G376 A377 D403	G376-R379 WeakPolarHBondContact O-CB 3.47Å; A377-R379 PolarHBondContact O-N 2.75Å; R379-D403 IonicContact CZ-OD1 3.42Å; R379-D403 IonicContact CZ-OD2 2.8Å; R379-D403 IonicContact NH1-OD1 3.2Å; R379-D403 PolarHBondContact NH1-OD1 3.22Å; R379-D403 IonicContact NH1-OD2 3.91Å; R379-D403 PolarHBondContact NH1-OD2 3.09Å; R379-D403 VanDerWaalsContact NH1-OD2 3.14Å; R379-D403 IonicContact NH2-OD1 3.97Å; R379-D403 IonicContact NH2-OD2 3.64Å; R379-D403 PolarHBondContact NH2-OD2 2.66Å
380	V	98.3	Very high	97.6	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.018	19%	0.187	C	C	.	.	S	Bend	trans	-68.3	124.1	173.3	173.9	0	0	0	0	109.5	M268 K308 F339 F347 A377 T378 K382 V383 Q384	M268-V380 HydrophobicContact SD-CG2 4.13Å; K308-V380 HydrophobicContact CG-CG2 4.3Å; F339-V380 HydrophobicContact CE1-CG1 3.94Å; F339-V380 HydrophobicContact CE1-CG2 4.41Å; F339-V380 HydrophobicContact CZ-CG1 4.41Å; F339-V380 HydrophobicContact CZ-CG2 4.45Å; F347-V380 HydrophobicContact CE1-CG1 4.22Å; F347-V380 HydrophobicContact CZ-CG1 4.32Å; A377-V380 WeakPolarHBondContact O-CB 3.38Å; A377-V380 PolarHBondContact O-N 3.37Å; T378-V380 PolarHBondContact O-N 3.44Å; V380-K382 VanDerWaalsContact C-N 3.3Å; V380-K382 HydrophobicContact CG1-CB 4.38Å; V380-K382 PolarHBondContact O-N 3.06Å; V380-V383 HydrophobicContact CB-CG2 3.92Å; V380-V383 HydrophobicContact CG1-CG2 4.15Å; V380-V383 PolarHBondContact O-N 2.92Å; V380-V383 VanDerWaalsContact O-N 3.14Å; V380-Q384 PolarHBondContact O-N 3.45Å
381	P	98.1	Very high	97.7	Very high	41 Å²	41	34 Å²	34	27%	0.266	18%	0.176	S	C	.	.	H	α-helix	trans	-54.3	-41.6	-175.7	-30.3	36.3	0	0	0	114.2	S312 V383 Q384 E385	S312-P381 WeakPolarHBondContact O-CG 3.26Å; P381-V383 VanDerWaalsContact C-N 3.32Å; P381-V383 PolarHBondContact O-N 3.08Å; P381-Q384 WeakPolarHBondContact O-CB 3.44Å; P381-Q384 PolarHBondContact O-N 3.06Å; P381-Q384 VanDerWaalsContact O-N 3.13Å; P381-E385 PolarHBondContact O-N 3.44Å
382	K	98.4	Very high	97.5	Very high	49 Å²	49	37 Å²	37	21%	0.213	21%	0.208	C	C	.	.	H	α-helix	trans	-64	-33	-179	-159.4	51.6	153.8	-178.2	0	114.2	E340 F347 V380 E385 V386	E340-K382 HydrophobicContact CG-CB 3.89Å; E340-K382 HydrophobicContact CG-CG 4.08Å; E340-K382 WeakPolarHBondContact OE2-CD 3.23Å; E340-K382 WeakPolarHBondContact OE2-CE 3.4Å; E340-K382 IonicContact OE2-NZ 4Å; F347-K382 HydrophobicContact CB-CG 4.5Å; F347-K382 HydrophobicContact CD1-CB 4.16Å; F347-K382 HydrophobicContact CD1-CG 4.07Å; F347-K382 HydrophobicContact CD2-CB 4.31Å; F347-K382 HydrophobicContact CD2-CG 3.61Å; F347-K382 HydrophobicContact CE1-CB 3.89Å; F347-K382 HydrophobicContact CE1-CG 4.2Å; F347-K382 HydrophobicContact CE2-CB 4.05Å; F347-K382 HydrophobicContact CE2-CG 3.75Å; F347-K382 HydrophobicContact CG-CB 4.38Å; F347-K382 HydrophobicContact CG-CG 3.79Å; F347-K382 HydrophobicContact CZ-CB 3.84Å; F347-K382 HydrophobicContact CZ-CG 4.06Å; V380-K382 VanDerWaalsContact C-N 3.3Å; V380-K382 HydrophobicContact CG1-CB 4.38Å; V380-K382 PolarHBondContact O-N 3.06Å; K382-E385 HydrophobicContact CD-CB 4.39Å; K382-E385 VanDerWaalsContact CD-OE2 3.28Å; K382-E385 WeakPolarHBondContact CD-OE2 3.25Å; K382-E385 IonicContact NZ-OE1 2.7Å; K382-E385 PolarHBondContact NZ-OE1 2.9Å; K382-E385 IonicContact NZ-OE2 3.33Å; K382-E385 PolarHBondContact NZ-OE2 3.15Å; K382-E385 PolarHBondContact O-N 2.92Å; K382-V386 WeakPolarHBondContact O-CG2 3.44Å; K382-V386 PolarHBondContact O-N 2.89Å
383	V	98.5	Very high	97.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.5	-44.1	173.7	179.4	0	0	0	0	110.1	Y224 M226 M268 F347 V350 V380 P381 L387	Y224-V383 HydrophobicContact CE1-CG1 4.47Å; M226-V383 HydrophobicContact SD-CB 4.4Å; M226-V383 HydrophobicContact SD-CG1 3.69Å; M226-V383 HydrophobicContact SD-CG2 3.78Å; M268-V383 HydrophobicContact CE-CG2 4Å; F347-V383 HydrophobicContact CD1-CG2 4.01Å; F347-V383 HydrophobicContact CE1-CG2 3.75Å; V350-V383 HydrophobicContact CG2-CG1 4.25Å; V380-V383 HydrophobicContact CB-CG2 3.92Å; V380-V383 HydrophobicContact CG1-CG2 4.15Å; V380-V383 PolarHBondContact O-N 2.92Å; V380-V383 VanDerWaalsContact O-N 3.14Å; P381-V383 VanDerWaalsContact C-N 3.32Å; P381-V383 PolarHBondContact O-N 3.08Å; V383-L387 WeakPolarHBondContact O-CB 3.31Å; V383-L387 PolarHBondContact O-N 3.25Å
384	Q	98.3	Very high	96.9	Very high	44 Å²	44	48.3 Å²	48.3	21%	0.206	26%	0.262	C	S	.	.	H	α-helix	trans	-66.2	-39.5	175.6	-81.8	170.7	76.5	0	0	112.4	L373 T378 V380 P381 L388 L396 K398	L373-Q384 HydrophobicContact CD1-CG 3.72Å; T378-Q384 WeakPolarHBondContact O-CG 3.27Å; T378-Q384 PolarHBondContact O-NE2 3.25Å; V380-Q384 PolarHBondContact O-N 3.45Å; P381-Q384 WeakPolarHBondContact O-CB 3.44Å; P381-Q384 PolarHBondContact O-N 3.06Å; P381-Q384 VanDerWaalsContact O-N 3.13Å; Q384-L388 WeakPolarHBondContact O-CB 3.47Å; Q384-L388 PolarHBondContact O-N 3.12Å; Q384-L396 HydrophobicContact CB-CD1 4.17Å; Q384-L396 HydrophobicContact CG-CD1 4.11Å; Q384-K398 VanDerWaalsContact OE1-CE 3.24Å
385	E	98.4	Very high	96.9	Very high	100 Å²	100	54.9 Å²	54.9	47%	0.467	29%	0.293	S	S	.	.	H	α-helix	trans	-59.7	-53.7	176.1	-173.8	-158.2	120.8	0	0	111.6	P381 K382 L388 K389	P381-E385 PolarHBondContact O-N 3.44Å; K382-E385 HydrophobicContact CD-CB 4.39Å; K382-E385 VanDerWaalsContact CD-OE2 3.28Å; K382-E385 WeakPolarHBondContact CD-OE2 3.25Å; K382-E385 IonicContact NZ-OE1 2.7Å; K382-E385 PolarHBondContact NZ-OE1 2.9Å; K382-E385 IonicContact NZ-OE2 3.33Å; K382-E385 PolarHBondContact NZ-OE2 3.15Å; K382-E385 PolarHBondContact O-N 2.92Å; E385-L388 PolarHBondContact O-N 3.15Å; E385-K389 WeakPolarHBondContact O-CB 3.34Å; E385-K389 PolarHBondContact O-N 2.91Å; E385-K389 VanDerWaalsContact O-N 3.08Å
386	V	98.6	Very high	97	Very high	25 Å²	25	55.3 Å²	55.3	15%	0.152	29%	0.293	C	S	.	.	H	α-helix	trans	-67.7	-40.5	-178.3	177	0	0	0	0	111.3	F347 V350 P351 K382 K389 A390	F347-V386 HydrophobicContact CB-CG2 4.31Å; V350-V386 HydrophobicContact CB-CG1 4.06Å; V350-V386 HydrophobicContact CG1-CB 4.32Å; V350-V386 HydrophobicContact CG1-CG1 4.1Å; P351-V386 HydrophobicContact CG-CG1 4.02Å; K382-V386 WeakPolarHBondContact O-CG2 3.44Å; K382-V386 PolarHBondContact O-N 2.89Å; V386-K389 PolarHBondContact O-N 3.45Å; V386-A390 WeakPolarHBondContact O-CB 3.37Å; V386-A390 PolarHBondContact O-N 3.14Å
387	L	98.4	Very high	97.1	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-64.4	-47	176.8	-176	64.2	0	0	0	111.7	Y224 V350 V354 L373 V383 K389 A390 V391 L396	Y224-L387 HydrophobicContact CD1-CD2 3.57Å; Y224-L387 HydrophobicContact CD2-CD1 3.66Å; Y224-L387 HydrophobicContact CD2-CD2 4.09Å; Y224-L387 HydrophobicContact CE1-CD2 4.02Å; Y224-L387 HydrophobicContact CE2-CD1 3.72Å; Y224-L387 HydrophobicContact CE2-CD2 4.5Å; Y224-L387 HydrophobicContact CG-CD1 4.08Å; Y224-L387 HydrophobicContact CG-CD2 3.62Å; V350-L387 HydrophobicContact CG1-CB 3.88Å; V350-L387 HydrophobicContact CG1-CD1 4.34Å; V354-L387 HydrophobicContact CG2-CD1 3.65Å; L373-L387 HydrophobicContact CD2-CD2 3.64Å; V383-L387 WeakPolarHBondContact O-CB 3.31Å; V383-L387 PolarHBondContact O-N 3.25Å; L387-K389 VanDerWaalsContact C-N 3.29Å; L387-K389 PolarHBondContact O-N 3.47Å; L387-A390 PolarHBondContact O-N 3.23Å; L387-V391 HydrophobicContact CD1-CG1 3.92Å; L387-V391 HydrophobicContact CG-CG1 4.36Å; L387-V391 WeakPolarHBondContact O-CG2 3.26Å; L387-V391 PolarHBondContact O-N 3.13Å; L387-L396 HydrophobicContact CB-CD1 4.33Å; L387-L396 HydrophobicContact CD2-CD1 4.18Å; L387-L396 HydrophobicContact CD2-CD2 4.03Å; L387-L396 HydrophobicContact CG-CD1 4.36Å; L387-L396 HydrophobicContact CG-CD2 4.11Å
388	L	98.2	Very high	97	Very high	60 Å²	60	60.2 Å²	60.2	31%	0.314	30%	0.304	S	S	.	.	H	α-helix	trans	-57.2	-44.6	178.3	-175.4	73.6	0	0	0	110.9	Q384 E385 V391 G392 K393 L396	Q384-L388 WeakPolarHBondContact O-CB 3.47Å; Q384-L388 PolarHBondContact O-N 3.12Å; E385-L388 PolarHBondContact O-N 3.15Å; L388-V391 PolarHBondContact O-N 2.87Å; L388-G392 PolarHBondContact O-N 2.87Å; L388-K393 VanDerWaalsContact CD1-O 3.23Å; L388-K393 WeakPolarHBondContact CD1-O 3.5Å; L388-L396 HydrophobicContact CB-CD1 4.02Å; L388-L396 HydrophobicContact CB-CG 4.36Å; L388-L396 HydrophobicContact CD1-CD1 4.44Å; L388-L396 HydrophobicContact CD1-CG 3.93Å
389	K	97.9	Very high	96.8	Very high	176 Å²	176	63 Å²	63	77%	0.765	32%	0.319	S	S	*	.	H	α-helix	trans	-61.4	-41	174.4	-177.7	-176.2	176.1	-172.2	0	112.4	E385 V386 L387	E385-K389 WeakPolarHBondContact O-CB 3.34Å; E385-K389 PolarHBondContact O-N 2.91Å; E385-K389 VanDerWaalsContact O-N 3.08Å; V386-K389 PolarHBondContact O-N 3.45Å; L387-K389 VanDerWaalsContact C-N 3.29Å; L387-K389 PolarHBondContact O-N 3.47Å
390	A	97.4	Very high	96.6	Very high	34 Å²	34	58.6 Å²	58.6	28%	0.281	30%	0.304	S	S	.	.	H	α-helix	trans	-70.8	-35.5	179.1	0	0	0	0	0	113.3	P351 V386 L387	P351-A390 HydrophobicContact CB-CB 3.92Å; P351-A390 HydrophobicContact CG-CB 4.01Å; V386-A390 WeakPolarHBondContact O-CB 3.37Å; V386-A390 PolarHBondContact O-N 3.14Å; L387-A390 PolarHBondContact O-N 3.23Å
391	V	97.4	Very high	96.5	Very high	1 Å²	1	62 Å²	62	1%	0.006	32%	0.322	C	S	.	.	H	α-helix	trans	-90.7	-7.8	-178.2	-55.7	0	0	0	0	114.3	V354 L365 V371 L387 L388 K393 L396	V354-V391 HydrophobicContact CG1-CG1 4.12Å; V354-V391 HydrophobicContact CG2-CG1 4.41Å; L365-V391 HydrophobicContact CD1-CB 4.18Å; L365-V391 WeakPolarHBondContact CD2-O 3.24Å; V371-V391 HydrophobicContact CG1-CG1 4.34Å; V371-V391 HydrophobicContact CG2-CB 3.99Å; V371-V391 HydrophobicContact CG2-CG1 4Å; V371-V391 HydrophobicContact CG2-CG2 4.11Å; L387-V391 HydrophobicContact CD1-CG1 3.92Å; L387-V391 HydrophobicContact CG-CG1 4.36Å; L387-V391 WeakPolarHBondContact O-CG2 3.26Å; L387-V391 PolarHBondContact O-N 3.13Å; L388-V391 PolarHBondContact O-N 2.87Å; V391-K393 HydrophobicContact CB-CG 4.24Å; V391-K393 HydrophobicContact CG2-CB 4.06Å; V391-K393 HydrophobicContact CG2-CG 3.77Å; V391-K393 WeakPolarHBondContact O-CG 3.26Å; V391-K393 PolarHBondContact O-N 2.97Å; V391-L396 HydrophobicContact CG2-CD2 3.87Å
392	G	94.9	Very high	96.1	Very high	66 Å²	66	61.2 Å²	61.2	68%	0.68	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	18	175.1	0	0	0	0	0	115	L388	L388-G392 PolarHBondContact O-N 2.87Å
393	K	92.9	Very high	95.8	Very high	56 Å²	56	60.7 Å²	60.7	24%	0.243	32%	0.319	C	S	.	.			trans	-89.4	160.9	178.8	-54.7	-58.3	170.9	177.3	0	110.2	L365 I368 V371 L388 V391	L365-K393 PolarHBondContact O-NZ 3.1Å; I368-K393 PolarHBondContact O-NZ 3.17Å; V371-K393 HydrophobicContact CG2-CG 4.36Å; L388-K393 VanDerWaalsContact CD1-O 3.23Å; L388-K393 WeakPolarHBondContact CD1-O 3.5Å; V391-K393 HydrophobicContact CB-CG 4.24Å; V391-K393 HydrophobicContact CG2-CB 4.06Å; V391-K393 HydrophobicContact CG2-CG 3.77Å; V391-K393 WeakPolarHBondContact O-CG 3.26Å; V391-K393 PolarHBondContact O-N 2.97Å
394	M	92.1	Very high	95.7	Very high	191 Å²	191	62.2 Å²	62.2	94%	0.941	33%	0.326	S	S	*	.	S	Bend	trans	-73.8	-29.8	174.5	-67.6	-180	65.2	0	0	112.7
395	E	95.9	Very high	95.7	Very high	139 Å²	139	60.2 Å²	60.2	65%	0.65	32%	0.316	S	S	*	.			trans	-148.3	166.7	179	59.5	166.8	-150.9	0	0	111.9
396	L	97.7	Very high	95.7	Very high	16 Å²	16	55.8 Å²	55.8	8%	0.084	30%	0.297	C	S	.	.			trans	-112.2	126.4	173.7	-66.7	165.5	0	0	0	109	V371 L373 Q384 L387 L388 V391	V371-L396 HydrophobicContact CB-CD2 4.07Å; V371-L396 HydrophobicContact CG1-CD2 3.97Å; L373-L396 HydrophobicContact CD1-CB 3.94Å; L373-L396 HydrophobicContact CD1-CD1 4.37Å; L373-L396 HydrophobicContact CD2-CB 4.39Å; L373-L396 HydrophobicContact CD2-CD1 4.25Å; L373-L396 HydrophobicContact CG-CB 4.01Å; Q384-L396 HydrophobicContact CB-CD1 4.17Å; Q384-L396 HydrophobicContact CG-CD1 4.11Å; L387-L396 HydrophobicContact CB-CD1 4.33Å; L387-L396 HydrophobicContact CD2-CD1 4.18Å; L387-L396 HydrophobicContact CD2-CD2 4.03Å; L387-L396 HydrophobicContact CG-CD1 4.36Å; L387-L396 HydrophobicContact CG-CD2 4.11Å; L388-L396 HydrophobicContact CB-CD1 4.02Å; L388-L396 HydrophobicContact CB-CG 4.36Å; L388-L396 HydrophobicContact CD1-CD1 4.44Å; L388-L396 HydrophobicContact CD1-CG 3.93Å; V391-L396 HydrophobicContact CG2-CD2 3.87Å
397	G	96.5	Very high	95.6	Very high	3 Å²	3	54.6 Å²	54.6	3%	0.031	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-64.5	131.5	-174.4	0	0	0	0	0	113	V371 I372 L373	V371-G397 PolarHBondContact O-N 3.08Å; I372-G397 WeakPolarHBondContact CA-O 3.01Å; L373-G397 PolarHBondContact N-O 2.9Å
398	K	95.7	Very high	95.6	Very high	140 Å²	140	55.9 Å²	55.9	61%	0.609	30%	0.296	S	S	*	.			trans	-124.1	24.7	179	-67.1	164.2	-175.2	172.2	0	111.5	L373 Q384 I400	L373-K398 HydrophobicContact CD1-CG 4.26Å; Q384-K398 VanDerWaalsContact OE1-CE 3.24Å; K398-I400 PolarHBondContact O-N 2.86Å
399	N	91.8	Very high	95.6	Very high	64 Å²	64	53 Å²	53	34%	0.342	28%	0.281	S	S	.	.			trans	-88.6	29.9	-172.7	62.5	-2	0	0	0	113.3	R210 Q370 I372	R210-N399 PolarHBondContact NH2-ND2 3.44Å; R210-N399 PolarHBondContact NH2-O 2.75Å; Q370-N399 PolarHBondContact OE1-ND2 2.77Å; I372-N399 WeakPolarHBondContact CD1-OD1 3.45Å
400	I	93.8	Very high	95.6	Very high	23 Å²	23	44.7 Å²	44.7	12%	0.118	25%	0.245	C	C	.	.	S	Bend	trans	-149.3	149.4	176.8	-157.1	176.9	0	0	0	109.3	V202 I372 V374 K398 A402 A405	V202-I400 HydrophobicContact CG1-CD1 4.24Å; I372-I400 HydrophobicContact CG2-CG2 3.67Å; V374-I400 HydrophobicContact CG2-CG2 4.41Å; K398-I400 PolarHBondContact O-N 2.86Å; I400-A402 PolarHBondContact O-N 3.19Å; I400-A402 VanDerWaalsContact O-N 3.15Å; I400-A405 HydrophobicContact CD1-CB 3.6Å; I400-A405 HydrophobicContact CG1-CB 3.9Å
401	N	94.9	Very high	95.7	Very high	75 Å²	75	43 Å²	43	40%	0.401	23%	0.232	S	C	.	.			trans	-78	99.6	173.1	-174	-11.7	0	0	0	110.3	D403 E404 A405	N401-D403 PolarHBondContact O-N 2.99Å; N401-D403 VanDerWaalsContact O-N 3.14Å; N401-D403 PolarHBondContact OD1-N 3.31Å; N401-E404 HydrophobicContact CB-CB 4.29Å; N401-E404 WeakPolarHBondContact ND2-CG 3.43Å; N401-E404 PolarHBondContact ND2-OE1 3.44Å; N401-E404 VanDerWaalsContact ND2-OE1 3.08Å; N401-E404 PolarHBondContact ND2-OE2 2.98Å; N401-E404 PolarHBondContact O-N 2.83Å; N401-E404 VanDerWaalsContact O-N 3.1Å; N401-A405 WeakPolarHBondContact O-CB 3.31Å; N401-A405 PolarHBondContact O-N 2.95Å
402	A	90.4	Very high	95.7	Very high	24 Å²	24	44.1 Å²	44.1	20%	0.198	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-20.3	-175.7	0	0	0	0	0	115.7	G375 I400	G375-A402 PolarHBondContact N-O 2.89Å; I400-A402 PolarHBondContact O-N 3.19Å; I400-A402 VanDerWaalsContact O-N 3.15Å
403	D	92.8	Very high	95.8	Very high	38 Å²	38	41.9 Å²	41.9	20%	0.203	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-15.5	177.3	-69.9	-34.8	0	0	0	113.4	K39 R379 N401	K39-D403 VanDerWaalsContact CD-O 3.25Å; K39-D403 WeakPolarHBondContact CD-O 3.3Å; K39-D403 WeakPolarHBondContact CE-O 3.28Å; R379-D403 IonicContact CZ-OD1 3.42Å; R379-D403 IonicContact CZ-OD2 2.8Å; R379-D403 IonicContact NH1-OD1 3.2Å; R379-D403 PolarHBondContact NH1-OD1 3.22Å; R379-D403 IonicContact NH1-OD2 3.91Å; R379-D403 PolarHBondContact NH1-OD2 3.09Å; R379-D403 VanDerWaalsContact NH1-OD2 3.14Å; R379-D403 IonicContact NH2-OD1 3.97Å; R379-D403 IonicContact NH2-OD2 3.64Å; R379-D403 PolarHBondContact NH2-OD2 2.66Å; N401-D403 PolarHBondContact O-N 2.99Å; N401-D403 VanDerWaalsContact O-N 3.14Å; N401-D403 PolarHBondContact OD1-N 3.31Å
404	E	96.3	Very high	96	Very high	32 Å²	32	39.2 Å²	39.2	15%	0.15	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.4	-18	-169.9	-67.9	174.4	-154.2	0	0	114	I51 R59 N401 A406 A407 M408	I51-E404 HydrophobicContact CD1-CB 4.05Å; I51-E404 HydrophobicContact CD1-CG 4.03Å; I51-E404 HydrophobicContact CG1-CB 4.31Å; I51-E404 HydrophobicContact CG1-CG 4.01Å; R59-E404 IonicContact CZ-OE1 3.02Å; R59-E404 IonicContact CZ-OE2 3.4Å; R59-E404 IonicContact NE-OE1 3.44Å; R59-E404 PolarHBondContact NE-OE1 3.34Å; R59-E404 IonicContact NE-OE2 3.32Å; R59-E404 IonicContact NH2-OE1 2.74Å; R59-E404 PolarHBondContact NH2-OE1 3.13Å; R59-E404 IonicContact NH2-OE2 2.66Å; R59-E404 PolarHBondContact NH2-OE2 2.57Å; N401-E404 HydrophobicContact CB-CB 4.29Å; N401-E404 WeakPolarHBondContact ND2-CG 3.43Å; N401-E404 PolarHBondContact ND2-OE1 3.44Å; N401-E404 VanDerWaalsContact ND2-OE1 3.08Å; N401-E404 PolarHBondContact ND2-OE2 2.98Å; N401-E404 PolarHBondContact O-N 2.83Å; N401-E404 VanDerWaalsContact O-N 3.1Å; E404-A406 VanDerWaalsContact C-N 3.32Å; E404-A406 PolarHBondContact O-N 3.12Å; E404-A407 PolarHBondContact O-N 3.28Å; E404-M408 HydrophobicContact CB-CG 4.45Å; E404-M408 WeakPolarHBondContact O-CG 3.01Å; E404-M408 PolarHBondContact O-N 3.4Å
405	A	96.9	Very high	96.2	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.008	15%	0.152	C	C	.	.	H	α-helix	trans	-55.5	-40.8	-171.6	0	0	0	0	0	114.3	V202 N205 I400 N401 M408 G409	V202-A405 HydrophobicContact CG1-CB 4.48Å; V202-A405 HydrophobicContact CG2-CB 4.09Å; N205-A405 HydrophobicContact CB-CB 4.49Å; N205-A405 VanDerWaalsContact CB-O 3.3Å; N205-A405 WeakPolarHBondContact CB-O 3.28Å; I400-A405 HydrophobicContact CD1-CB 3.6Å; I400-A405 HydrophobicContact CG1-CB 3.9Å; N401-A405 WeakPolarHBondContact O-CB 3.31Å; N401-A405 PolarHBondContact O-N 2.95Å; A405-M408 PolarHBondContact O-N 3.11Å; A405-G409 PolarHBondContact O-N 3Å
406	A	98.1	Very high	96.1	Very high	8 Å²	8	26 Å²	26	7%	0.066	14%	0.14	C	C	.	.	H	α-helix	trans	-64.3	-47.5	178.8	0	0	0	0	0	111.8	D32 T168 A201 V202 E404 M408 G409 A410	D32-A406 HydrophobicContact CB-CB 4.24Å; T168-A406 HydrophobicContact CG2-CB 4.26Å; A201-A406 WeakPolarHBondContact CB-O 3.34Å; V202-A406 HydrophobicContact CG2-CB 3.99Å; E404-A406 VanDerWaalsContact C-N 3.32Å; E404-A406 PolarHBondContact O-N 3.12Å; A406-M408 PolarHBondContact O-N 3.03Å; A406-G409 PolarHBondContact O-N 3.36Å; A406-A410 VanDerWaalsContact O-CB 3.23Å; A406-A410 WeakPolarHBondContact O-CB 3.47Å; A406-A410 PolarHBondContact O-N 2.81Å
407	A	98.4	Very high	96	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63	-42.5	177.3	0	0	0	0	0	111.9	S30 D32 K39 A41 I51 E404 A410 V411	S30-A407 PolarHBondContact OG-O 2.85Å; D32-A407 HydrophobicContact CB-CB 3.85Å; K39-A407 HydrophobicContact CB-CB 4.27Å; A41-A407 HydrophobicContact CB-CB 4.26Å; I51-A407 HydrophobicContact CD1-CB 3.8Å; E404-A407 PolarHBondContact O-N 3.28Å; A407-A410 PolarHBondContact O-N 2.91Å; A407-V411 PolarHBondContact O-N 3.46Å
408	M	98	Very high	95.8	Very high	27 Å²	27	28 Å²	28	13%	0.133	15%	0.152	C	C	.	.	H	α-helix	trans	-67.5	-39.3	-179.7	-68.2	-56.6	-60.8	0	0	112.8	A41 M49 I51 N205 E404 A405 A406 V411 Y412	A41-M408 HydrophobicContact CB-SD 4.19Å; M49-M408 HydrophobicContact CB-CE 3.8Å; I51-M408 HydrophobicContact CD1-CG 4.16Å; I51-M408 HydrophobicContact CD1-SD 3.92Å; I51-M408 HydrophobicContact CG1-CG 4.46Å; I51-M408 HydrophobicContact CG1-SD 3.91Å; N205-M408 VanDerWaalsContact OD1-CB 3.26Å; N205-M408 WeakPolarHBondContact OD1-CB 3.38Å; E404-M408 HydrophobicContact CB-CG 4.45Å; E404-M408 WeakPolarHBondContact O-CG 3.01Å; E404-M408 PolarHBondContact O-N 3.4Å; A405-M408 PolarHBondContact O-N 3.11Å; A406-M408 PolarHBondContact O-N 3.03Å; M408-V411 WeakPolarHBondContact O-CG1 3.3Å; M408-Y412 PolarHBondContact O-N 2.71Å; M408-Y412 VanDerWaalsContact O-N 3.15Å
409	G	98.1	Very high	95.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-67.8	-41.3	171.8	0	0	0	0	0	112.6	A201 A405 A406 V411 Y412 Q413	A201-G409 WeakPolarHBondContact O-CA 3.46Å; A405-G409 PolarHBondContact O-N 3Å; A406-G409 PolarHBondContact O-N 3.36Å; G409-V411 PolarHBondContact O-N 3.2Å; G409-Y412 WeakPolarHBondContact O-CB 3.27Å; G409-Y412 PolarHBondContact O-N 3.45Å; G409-Q413 PolarHBondContact O-N 3.38Å
410	A	98.6	Very high	95.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-65	-37.1	178.3	0	0	0	0	0	112.7	V166 T168 I196 A201 A406 A407 Q413 A414	V166-A410 HydrophobicContact CG1-CB 3.99Å; T168-A410 HydrophobicContact CG2-CB 3.98Å; I196-A410 HydrophobicContact CG2-CB 3.99Å; A201-A410 HydrophobicContact CB-CB 4.39Å; A406-A410 VanDerWaalsContact O-CB 3.23Å; A406-A410 WeakPolarHBondContact O-CB 3.47Å; A406-A410 PolarHBondContact O-N 2.81Å; A407-A410 PolarHBondContact O-N 2.91Å; A410-Q413 PolarHBondContact O-N 2.82Å; A410-A414 PolarHBondContact O-N 3.47Å
411	V	98	Very high	95.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-75.1	-29.7	175.2	73.1	0	0	0	0	112.3	S30 A41 V43 M49 A407 M408 G409 Q413 A414 A415	S30-V411 PolarHBondContact OG-N 3.19Å; A41-V411 HydrophobicContact CB-CB 3.85Å; A41-V411 HydrophobicContact CB-CG1 3.64Å; A41-V411 HydrophobicContact CB-CG2 4.39Å; V43-V411 HydrophobicContact CB-CG2 4.29Å; V43-V411 HydrophobicContact CG1-CG2 4.05Å; M49-V411 HydrophobicContact CB-CG1 3.93Å; M49-V411 HydrophobicContact CG-CG1 3.96Å; M49-V411 HydrophobicContact SD-CG1 4.4Å; A407-V411 PolarHBondContact O-N 3.46Å; M408-V411 WeakPolarHBondContact O-CG1 3.3Å; G409-V411 PolarHBondContact O-N 3.2Å; V411-Q413 VanDerWaalsContact C-N 3.29Å; V411-Q413 PolarHBondContact O-N 3.33Å; V411-A414 PolarHBondContact O-N 3.5Å; V411-A415 WeakPolarHBondContact O-CB 3.47Å; V411-A415 PolarHBondContact O-N 2.89Å
412	Y	97.5	Very high	94.9	Very high	23 Å²	23	38.9 Å²	38.9	9%	0.09	20%	0.202	C	C	.	.	H	α-helix	trans	-60.8	-42.3	168.4	-174.4	-88.8	0	0	0	111.3	M49 L204 V208 R211 M408 G409 A415 A416 V423 K424 F426	M49-Y412 HydrophobicContact CE-CD2 3.79Å; M49-Y412 HydrophobicContact CE-CG 4.35Å; M49-Y412 HydrophobicContact SD-CD2 3.85Å; M49-Y412 HydrophobicContact SD-CG 4.44Å; L204-Y412 HydrophobicContact CD1-CD1 4.11Å; L204-Y412 HydrophobicContact CD1-CE1 4.24Å; L204-Y412 HydrophobicContact CD2-CD1 4.1Å; L204-Y412 HydrophobicContact CG-CD1 4.11Å; V208-Y412 HydrophobicContact CB-CE2 4.34Å; V208-Y412 HydrophobicContact CG1-CD2 3.78Å; V208-Y412 HydrophobicContact CG1-CE2 3.49Å; V208-Y412 VanDerWaalsContact CG1-CE2 3.49Å; V208-Y412 HydrophobicContact CG1-CG 4.46Å; V208-Y412 HydrophobicContact CG2-CD1 3.73Å; V208-Y412 HydrophobicContact CG2-CD2 4.09Å; V208-Y412 HydrophobicContact CG2-CE1 3.42Å; V208-Y412 VanDerWaalsContact CG2-CE1 3.42Å; V208-Y412 HydrophobicContact CG2-CE2 3.83Å; V208-Y412 HydrophobicContact CG2-CG 4.03Å; V208-Y412 VanDerWaalsContact CG2-CZ 3.45Å; R211-Y412 PolarHBondContact NH2-OH 2.86Å; M408-Y412 PolarHBondContact O-N 2.71Å; M408-Y412 VanDerWaalsContact O-N 3.15Å; G409-Y412 WeakPolarHBondContact O-CB 3.27Å; G409-Y412 PolarHBondContact O-N 3.45Å; Y412-A415 PolarHBondContact O-N 3.03Å; Y412-A416 PolarHBondContact O-N 3.05Å; Y412-V423 HydrophobicContact CE2-CB 4.44Å; Y412-K424 PolarHBondContact OH-O 2.69Å; Y412-F426 HydrophobicContact CE1-CB 4.04Å
413	Q	97.8	Very high	94.9	Very high	20 Å²	20	39.6 Å²	39.6	9%	0.093	20%	0.203	C	C	.	.	H	α-helix	trans	-67.6	-40.3	174.9	-171.5	63.7	6.1	0	0	112.3	I196 L204 G409 A410 V411 A415 A416 L417	I196-Q413 HydrophobicContact CD1-CB 4.23Å; I196-Q413 HydrophobicContact CD1-CG 4.22Å; L204-Q413 HydrophobicContact CD2-CB 3.94Å; G409-Q413 PolarHBondContact O-N 3.38Å; A410-Q413 PolarHBondContact O-N 2.82Å; V411-Q413 VanDerWaalsContact C-N 3.29Å; V411-Q413 PolarHBondContact O-N 3.33Å; Q413-A415 VanDerWaalsContact C-N 3.28Å; Q413-A415 PolarHBondContact O-N 3.11Å; Q413-A416 WeakPolarHBondContact O-CB 3.41Å; Q413-A416 PolarHBondContact O-N 3.22Å; Q413-L417 HydrophobicContact CG-CD1 4.13Å; Q413-L417 WeakPolarHBondContact O-CG 3.5Å; Q413-L417 PolarHBondContact O-N 2.71Å
414	A	97.1	Very high	94.9	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-58.7	-40.3	173.1	0	0	0	0	0	111.9	V28 V166 A410 V411 A416 L417 S418	V28-A414 HydrophobicContact CB-CB 4.32Å; V28-A414 HydrophobicContact CG2-CB 3.75Å; V166-A414 HydrophobicContact CB-CB 4.1Å; V166-A414 HydrophobicContact CG2-CB 3.67Å; A410-A414 PolarHBondContact O-N 3.47Å; V411-A414 PolarHBondContact O-N 3.5Å; A414-A416 VanDerWaalsContact C-N 3.32Å; A414-L417 PolarHBondContact O-N 2.7Å; A414-S418 WeakPolarHBondContact O-CB 3.31Å; A414-S418 PolarHBondContact O-N 3.25Å
415	A	95.8	Very high	94.6	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.008	24%	0.235	C	C	.	.	H	α-helix	trans	-71.4	-22.9	174.4	0	0	0	0	0	113.9	V43 M49 V411 Y412 Q413 F421 V423	V43-A415 HydrophobicContact CG1-CB 4.02Å; M49-A415 HydrophobicContact CE-CB 3.48Å; M49-A415 VanDerWaalsContact CE-CB 3.48Å; V411-A415 WeakPolarHBondContact O-CB 3.47Å; V411-A415 PolarHBondContact O-N 2.89Å; Y412-A415 PolarHBondContact O-N 3.03Å; Q413-A415 VanDerWaalsContact C-N 3.28Å; Q413-A415 PolarHBondContact O-N 3.11Å; A415-F421 HydrophobicContact CB-CB 4.42Å; A415-F421 HydrophobicContact CB-CD2 4.45Å; A415-F421 HydrophobicContact CB-CG 4.47Å; A415-V423 HydrophobicContact CB-CG1 3.7Å
416	A	94.9	Very high	94.6	Very high	50 Å²	50	47.1 Å²	47.1	41%	0.413	24%	0.239	S	C	.	.	H	α-helix	trans	-78.5	-36.2	174.5	0	0	0	0	0	112.4	Y412 Q413 A414 V423	Y412-A416 PolarHBondContact O-N 3.05Å; Q413-A416 WeakPolarHBondContact O-CB 3.41Å; Q413-A416 PolarHBondContact O-N 3.22Å; A414-A416 VanDerWaalsContact C-N 3.32Å; A416-V423 HydrophobicContact CB-CG2 3.78Å
417	L	95.1	Very high	94.5	Very high	52 Å²	52	49 Å²	49	27%	0.272	25%	0.248	S	C	.	.	H	α-helix	trans	-84.2	-26.9	179.5	-64.4	172.7	0	0	0	113	V166 L193 Q194 Q413 A414 K419 E538	V166-L417 HydrophobicContact CG2-CD1 4.27Å; L193-L417 HydrophobicContact CB-CB 4.3Å; L193-L417 HydrophobicContact CB-CD1 3.9Å; L193-L417 HydrophobicContact CD1-CB 4.06Å; Q194-L417 HydrophobicContact CB-CD1 3.73Å; Q413-L417 HydrophobicContact CG-CD1 4.13Å; Q413-L417 WeakPolarHBondContact O-CG 3.5Å; Q413-L417 PolarHBondContact O-N 2.71Å; A414-L417 PolarHBondContact O-N 2.7Å; L417-K419 PolarHBondContact O-N 3.25Å; L417-E538 WeakPolarHBondContact CD2-OE2 3.3Å
418	S	92.4	Very high	94.4	Very high	11 Å²	11	50.3 Å²	50.3	8%	0.077	26%	0.256	C	S	.	.			trans	-74	121	178.4	177.3	0	0	0	0	112.4	A414 A420 F421	A414-S418 WeakPolarHBondContact O-CB 3.31Å; A414-S418 PolarHBondContact O-N 3.25Å; S418-A420 PolarHBondContact O-N 2.86Å; S418-A420 PolarHBondContact OG-N 3.08Å; S418-F421 PolarHBondContact O-N 3.09Å
419	K	88.6	Confident	94.3	Very high	219 Å²	219	53.7 Å²	53.7	95%	0.952	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-12.5	175.8	-63.4	-174.6	179.4	-177.7	0	114.4	L417	L417-K419 PolarHBondContact O-N 3.25Å
420	A	87.5	Confident	94.3	Very high	55 Å²	55	53.9 Å²	53.9	46%	0.455	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-4.4	-176	0	0	0	0	0	114.1	V26 S418	V26-A420 HydrophobicContact CB-CB 4.29Å; V26-A420 HydrophobicContact CG1-CB 3.59Å; V26-A420 HydrophobicContact CG2-CB 4.12Å; S418-A420 PolarHBondContact O-N 2.86Å; S418-A420 PolarHBondContact OG-N 3.08Å
421	F	90.6	Very high	94.2	Very high	47 Å²	47	54 Å²	54	21%	0.206	27%	0.269	C	S	.	.			trans	-119.4	162.2	172.3	-61.7	-81.4	0	0	0	111.5	V26 V28 V43 A415 S418	V26-F421 HydrophobicContact CG1-CE1 4.12Å; V26-F421 HydrophobicContact CG1-CE2 3.98Å; V26-F421 HydrophobicContact CG1-CZ 3.68Å; V26-F421 WeakPolarHBondContact O-CE2 3.36Å; V26-F421 VanDerWaalsContact O-CZ 3.31Å; V26-F421 WeakPolarHBondContact O-CZ 3.33Å; V28-F421 HydrophobicContact CG1-CE2 4.32Å; V28-F421 HydrophobicContact CG2-CD2 4.38Å; V28-F421 HydrophobicContact CG2-CE2 3.87Å; V43-F421 HydrophobicContact CB-CZ 4.36Å; V43-F421 HydrophobicContact CG1-CD2 4.36Å; V43-F421 HydrophobicContact CG1-CE1 4.17Å; V43-F421 HydrophobicContact CG1-CE2 3.82Å; V43-F421 HydrophobicContact CG1-CZ 3.72Å; V43-F421 HydrophobicContact CG2-CD1 4.32Å; V43-F421 HydrophobicContact CG2-CE1 3.78Å; V43-F421 HydrophobicContact CG2-CZ 4.1Å; V43-F421 WeakPolarHBondContact O-CZ 3.11Å; A415-F421 HydrophobicContact CB-CB 4.42Å; A415-F421 HydrophobicContact CB-CD2 4.45Å; A415-F421 HydrophobicContact CB-CG 4.47Å; S418-F421 PolarHBondContact O-N 3.09Å
422	K	90.2	Very high	94.1	Very high	209 Å²	209	54.4 Å²	54.4	91%	0.909	27%	0.272	S	S	*	.			trans	-131.7	81.9	173.1	-171.1	170.8	-176.8	170.2	0	110.5
423	V	90.8	Very high	94	Very high	39 Å²	39	53.7 Å²	53.7	24%	0.236	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-71.9	161.7	171.5	-56.9	0	0	0	0	111	M49 Y412 A415 A416	M49-V423 HydrophobicContact CE-CG1 4.21Å; Y412-V423 HydrophobicContact CE2-CB 4.44Å; A415-V423 HydrophobicContact CB-CG1 3.7Å; A416-V423 HydrophobicContact CB-CG2 3.78Å
424	K	91.4	Very high	94	Very high	152 Å²	152	53.5 Å²	53.5	66%	0.661	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-71.4	130.8	167.5	-63.6	179.8	-179.6	177.7	0	108.2	R211 Y412 F426	R211-K424 PolarHBondContact NH2-O 2.93Å; Y412-K424 PolarHBondContact OH-O 2.69Å; K424-F426 PolarHBondContact O-N 2.88Å
425	P	91.5	Very high	94	Very high	56 Å²	56	53.9 Å²	53.9	36%	0.364	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-56	135.5	-177.4	-26.1	34.3	0	0	0	112.6	R211 Q249	R211-P425 VanDerWaalsContact CZ-O 3.22Å; R211-P425 PolarHBondContact NH1-O 3.02Å; R211-P425 PolarHBondContact NH2-O 3.05Å; Q249-P425 HydrophobicContact CG-CB 4.33Å; Q249-P425 PolarHBondContact OE1-O 3.27Å
426	F	95.8	Very high	94.1	Very high	20 Å²	20	53.9 Å²	53.9	9%	0.088	27%	0.271	C	S	.	.			trans	-134.1	126.3	168.7	-159.8	-72.8	0	0	0	106.6	L204 G207 V208 I214 Y238 P250 L252 Y412 K424	L204-F426 HydrophobicContact CD1-CB 4.25Å; L204-F426 HydrophobicContact CD1-CD1 3.69Å; L204-F426 HydrophobicContact CD1-CE1 4.3Å; L204-F426 HydrophobicContact CD1-CG 4.03Å; G207-F426 VanDerWaalsContact C-CE2 3.46Å; G207-F426 WeakPolarHBondContact O-CE2 3.27Å; V208-F426 HydrophobicContact CG2-CB 4.48Å; V208-F426 HydrophobicContact CG2-CD2 3.95Å; V208-F426 HydrophobicContact CG2-CE2 4.48Å; V208-F426 HydrophobicContact CG2-CG 4.22Å; I214-F426 HydrophobicContact CD1-CE2 4.05Å; I214-F426 HydrophobicContact CD1-CZ 3.9Å; Y238-F426 HydrophobicContact CD1-CZ 4.3Å; Y238-F426 HydrophobicContact CE1-CZ 4.49Å; P250-F426 HydrophobicContact CB-CD2 4.01Å; P250-F426 HydrophobicContact CB-CE2 3.67Å; P250-F426 HydrophobicContact CB-CZ 4.07Å; P250-F426 HydrophobicContact CG-CD2 3.55Å; P250-F426 HydrophobicContact CG-CE2 3.75Å; P250-F426 HydrophobicContact CG-CG 4.18Å; L252-F426 HydrophobicContact CB-CE1 3.97Å; L252-F426 HydrophobicContact CD2-CD1 4.45Å; L252-F426 HydrophobicContact CD2-CE1 3.9Å; L252-F426 HydrophobicContact CG-CE1 4.14Å; Y412-F426 HydrophobicContact CE1-CB 4.04Å; K424-F426 PolarHBondContact O-N 2.88Å
427	L	95.4	Very high	94.3	Very high	48 Å²	48	52.6 Å²	52.6	25%	0.251	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	121.9	-172.3	-57.6	173.1	0	0	0	110.1	V241 T243 Q249 P250 Q251 L252	V241-L427 HydrophobicContact CG2-CD1 3.43Å; V241-L427 VanDerWaalsContact CG2-CD1 3.43Å; T243-L427 HydrophobicContact CG2-CD1 3.55Å; T243-L427 HydrophobicContact CG2-CD2 4.49Å; Q249-L427 HydrophobicContact CB-CD1 4.1Å; Q249-L427 HydrophobicContact CB-CG 4.31Å; P250-L427 PolarHBondContact O-N 3.24Å; Q251-L427 CarbonylContact C-O 3.53Å; Q251-L427 VanDerWaalsContact CA-O 3.28Å; Q251-L427 WeakPolarHBondContact CA-O 3.27Å; Q251-L427 HydrophobicContact CB-CB 3.94Å; Q251-L427 HydrophobicContact CG-CB 4.08Å; L252-L427 PolarHBondContact N-O 2.86Å
428	V	96.8	Very high	94.4	Very high	27 Å²	27	50.1 Å²	50.1	16%	0.164	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	130.2	175.6	178.6	0	0	0	0	109.1	T200 L204 L252	T200-V428 HydrophobicContact CG2-CG1 3.6Å; L204-V428 HydrophobicContact CD1-CG2 3.9Å; L204-V428 HydrophobicContact CD2-CG2 4.1Å; L252-V428 HydrophobicContact CD1-CG1 4.32Å; L252-V428 HydrophobicContact CD2-CG2 4.41Å
429	R	96.3	Very high	94.5	Very high	99 Å²	99	50.4 Å²	50.4	37%	0.374	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	89.5	168.6	-69.6	-61.3	-175	-174.3	-3.2	109.2	L252 Q253 I254	L252-R429 PolarHBondContact O-N 2.7Å; Q253-R429 WeakPolarHBondContact CA-O 3.38Å; Q253-R429 HydrophobicContact CB-CB 4.05Å; Q253-R429 HydrophobicContact CG-CB 4Å; I254-R429 PolarHBondContact N-O 3.43Å
430	D	97.3	Very high	94.8	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.021	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	162.5	173.1	-149	-33.2	0	0	0	110.7	N197 T200 P466 Y467	N197-D430 PolarHBondContact ND2-OD1 3.43Å; N197-D430 PolarHBondContact ND2-OD2 2.75Å; T200-D430 WeakPolarHBondContact CB-OD2 3.46Å; T200-D430 HydrophobicContact CG2-CB 4.37Å; T200-D430 WeakPolarHBondContact CG2-OD2 3.39Å; T200-D430 PolarHBondContact OG1-OD1 3.42Å; T200-D430 PolarHBondContact OG1-OD2 2.96Å; D430-P466 VanDerWaalsContact O-CA 3.26Å; D430-P466 WeakPolarHBondContact O-CA 3.5Å; D430-Y467 HydrophobicContact CB-CD1 4.35Å; D430-Y467 HydrophobicContact CB-CE1 3.83Å; D430-Y467 HydrophobicContact CB-CE2 4.03Å; D430-Y467 PolarHBondContact O-N 2.84Å
431	A	96.7	Very high	94.9	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.008	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	131.4	-164.7	0	0	0	0	0	112.6	I254 I433 M464	I254-A431 HydrophobicContact CB-CB 3.82Å; I254-A431 HydrophobicContact CG2-CB 3.78Å; A431-I433 WeakPolarHBondContact O-CD1 3.19Å; A431-I433 PolarHBondContact O-N 3.03Å; A431-I433 VanDerWaalsContact O-N 3.08Å; A431-M464 HydrophobicContact CB-CE 4.41Å; A431-M464 HydrophobicContact CB-SD 4.1Å
432	A	96.3	Very high	94.5	Very high	9 Å²	9	43.4 Å²	43.4	7%	0.074	21%	0.206	C	C	.	.			trans	-69	106.4	178.2	0	0	0	0	0	110.9	R463 M464 A465 Y467	A432-R463 CarbonylContact O-C 3.57Å; A432-R463 WeakPolarHBondContact O-CA 3.46Å; A432-M464 PolarHBondContact O-N 3.35Å; A432-A465 PolarHBondContact N-O 3.24Å; A432-Y467 HydrophobicContact CB-CD1 4.49Å
433	I	96.6	Very high	94.1	Very high	8 Å²	8	38.5 Å²	38.5	4%	0.041	19%	0.186	C	C	.	.	S	Bend	trans	-67.3	-45.8	-177	-49.2	-52.4	0	0	0	111.5	A171 V257 F259 A431 M464 F493	A171-I433 HydrophobicContact CB-CD1 4.5Å; A171-I433 HydrophobicContact CB-CG1 4.47Å; A171-I433 WeakPolarHBondContact O-CG1 3.5Å; V257-I433 HydrophobicContact CB-CD1 3.88Å; V257-I433 HydrophobicContact CG1-CD1 4.27Å; V257-I433 HydrophobicContact CG2-CD1 3.74Å; F259-I433 HydrophobicContact CE1-CG2 3.86Å; A431-I433 WeakPolarHBondContact O-CD1 3.19Å; A431-I433 PolarHBondContact O-N 3.03Å; A431-I433 VanDerWaalsContact O-N 3.08Å; I433-M464 HydrophobicContact CD1-CE 3.67Å; I433-F493 WeakPolarHBondContact O-CZ 3.3Å
434	F	97.6	Very high	93.5	Very high	16 Å²	16	37.9 Å²	37.9	7%	0.07	18%	0.182	C	C	.	.	S	Bend	trans	-104.4	124.4	178.8	-49.2	-65.3	0	0	0	109.8	F172 N174 F259 Y488 L491 F493 L494 F502	F172-F434 HydrophobicContact CB-CZ 4.38Å; F172-F434 VanDerWaalsContact O-CE2 3.26Å; F172-F434 WeakPolarHBondContact O-CE2 3.39Å; F172-F434 VanDerWaalsContact O-CZ 3.25Å; F172-F434 WeakPolarHBondContact O-CZ 3.47Å; N174-F434 HydrophobicContact CB-CD2 4.12Å; N174-F434 HydrophobicContact CB-CE2 3.97Å; F259-F434 HydrophobicContact CZ-CE1 4.24Å; F259-F434 HydrophobicContact CZ-CZ 4.29Å; F434-Y488 HydrophobicContact CB-CD1 3.73Å; F434-Y488 HydrophobicContact CB-CE1 3.86Å; F434-Y488 HydrophobicContact CG-CE1 4.44Å; F434-L491 HydrophobicContact CB-CD2 4.28Å; F434-L491 HydrophobicContact CD1-CD2 3.95Å; F434-F493 HydrophobicContact CD1-CZ 4.08Å; F434-L494 HydrophobicContact CD1-CD1 4.46Å; F434-L494 HydrophobicContact CE1-CD1 4.11Å; F434-L494 HydrophobicContact CE1-CD2 4.2Å; F434-F502 AromaticContact CD1-CE2 3.77Å; F434-F502 HydrophobicContact CD1-CE2 3.77Å; F434-F502 HydrophobicContact CD1-CZ 4.36Å; F434-F502 HydrophobicContact CD2-CE2 4.2Å; F434-F502 HydrophobicContact CE1-CD2 4.39Å; F434-F502 AromaticContact CE1-CE2 3.71Å; F434-F502 HydrophobicContact CE1-CE2 3.71Å; F434-F502 HydrophobicContact CE2-CE2 4.14Å; F434-F502 HydrophobicContact CG-CE2 4.03Å; F434-F502 HydrophobicContact CG-CZ 4.31Å; F434-F502 AromaticContact CZ-CE2 3.9Å; F434-F502 HydrophobicContact CZ-CE2 3.9Å
435	P	97.3	Very high	92.8	Very high	8 Å²	8	36.6 Å²	36.6	5%	0.052	18%	0.178	C	C	.	.			trans	-66.4	152.4	174	27.3	-32.4	0	0	0	110.9	F461 Y488 G489 D490	P435-F461 CarbonylContact C-O 3.59Å; P435-F461 WeakPolarHBondContact CA-O 3.47Å; P435-F461 WeakPolarHBondContact CB-O 3.43Å; P435-Y488 CarbonylContact O-C 3.55Å; P435-Y488 WeakPolarHBondContact O-CA 3.45Å; P435-G489 PolarHBondContact O-N 2.76Å; P435-D490 WeakPolarHBondContact CG-O 3.43Å
436	I	97.9	Very high	91.9	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	138.3	177.5	-58.6	-174.4	0	0	0	109.2	Q175 L460 F461 I486 N487 Y488 L507 M536 L542	Q175-I436 HydrophobicContact CG-CD1 4.34Å; I436-L460 HydrophobicContact CG2-CD1 4.22Å; I436-L460 PolarHBondContact O-N 2.8Å; I436-F461 HydrophobicContact CB-CD2 4.43Å; I436-F461 PolarHBondContact N-O 3.01Å; I436-F461 PolarHBondContact O-N 3.38Å; I436-I486 HydrophobicContact CG2-CG2 3.86Å; I436-N487 WeakPolarHBondContact CA-O 3.45Å; I436-N487 WeakPolarHBondContact CG2-O 3.33Å; I436-Y488 HydrophobicContact CG1-CD1 4.32Å; I436-L507 HydrophobicContact CD1-CD1 4.18Å; I436-L507 HydrophobicContact CG2-CD1 4.29Å; I436-M536 HydrophobicContact CD1-CE 3.74Å; I436-L542 HydrophobicContact CD1-CB 4.26Å; I436-L542 HydrophobicContact CD1-CD2 4.14Å; I436-L542 HydrophobicContact CG2-CD2 3.95Å
437	Q	97.4	Very high	90.7	Very high	22 Å²	22	45.9 Å²	45.9	10%	0.103	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	157.2	-177.5	71	-171.3	2	0	0	113.2	E439 R458 I459 N487 Y488	Q437-E439 HydrophobicContact CG-CG 4.26Å; Q437-E439 PolarHBondContact NE2-OE1 3.34Å; Q437-R458 CarbonylContact C-O 3.15Å; Q437-R458 VanDerWaalsContact CA-O 3.28Å; Q437-R458 WeakPolarHBondContact CA-O 3.28Å; Q437-R458 WeakPolarHBondContact CB-O 3.14Å; Q437-I459 HydrophobicContact CB-CG1 4.43Å; Q437-N487 HydrophobicContact CG-CB 4.35Å; Q437-N487 PolarHBondContact N-O 3.13Å; Q437-N487 PolarHBondContact O-N 2.82Å; Q437-Y488 PolarHBondContact NE2-O 3.23Å
438	V	97.5	Very high	89.1	Confident	0 Å²	0	53 Å²	53	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	134	171.2	175.3	0	0	0	0	109.6	F440 K457 R458 L460 F475 F484 N485 F534	V438-F440 HydrophobicContact CG1-CD1 4.13Å; V438-K457 CarbonylContact O-C 3.59Å; V438-K457 WeakPolarHBondContact O-CA 3.31Å; V438-R458 PolarHBondContact N-O 3.49Å; V438-R458 PolarHBondContact O-N 3.38Å; V438-L460 HydrophobicContact CG2-CD1 3.78Å; V438-L460 HydrophobicContact CG2-CD2 4.09Å; V438-L460 HydrophobicContact CG2-CG 3.91Å; V438-F475 HydrophobicContact CG1-CE1 4.4Å; V438-F475 HydrophobicContact CG1-CZ 4.08Å; V438-F484 HydrophobicContact CG1-CB 4.11Å; V438-F484 HydrophobicContact CG1-CD2 3.58Å; V438-F484 HydrophobicContact CG1-CE2 4.23Å; V438-F484 HydrophobicContact CG1-CG 4.04Å; V438-N485 CarbonylContact C-O 3.5Å; V438-N485 VanDerWaalsContact CA-O 3.29Å; V438-N485 WeakPolarHBondContact CA-O 3.39Å; V438-F534 HydrophobicContact CG2-CE1 4.36Å; V438-F534 HydrophobicContact CG2-CE2 4.11Å; V438-F534 HydrophobicContact CG2-CZ 3.72Å
439	E	95.8	Very high	87.8	Confident	17 Å²	17	54.8 Å²	54.8	8%	0.079	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	131	179.5	-56	-170.8	-168.1	0	0	111.4	Q437 H455 N456 K457 F484 N485 N487	Q437-E439 HydrophobicContact CG-CG 4.26Å; Q437-E439 PolarHBondContact NE2-OE1 3.34Å; E439-H455 IonicContact OE2-CE1 3.92Å; E439-H455 PolarHBondContact OE2-CE1 2.99Å; E439-H455 IonicContact OE2-NE2 2.79Å; E439-H455 PolarHBondContact OE2-NE2 3.14Å; E439-N456 VanDerWaalsContact CA-O 3.31Å; E439-N456 WeakPolarHBondContact CA-O 3.31Å; E439-K457 HydrophobicContact CG-CB 4.39Å; E439-K457 HydrophobicContact CG-CD 4.07Å; E439-K457 HydrophobicContact CG-CG 3.94Å; E439-K457 WeakPolarHBondContact OE1-CE 3.38Å; E439-K457 IonicContact OE1-NZ 2.75Å; E439-K457 PolarHBondContact OE1-NZ 3.1Å; E439-K457 VanDerWaalsContact OE2-CE 3.32Å; E439-K457 WeakPolarHBondContact OE2-CE 3.29Å; E439-K457 IonicContact OE2-NZ 2.76Å; E439-K457 PolarHBondContact OE2-NZ 2.96Å; E439-F484 WeakPolarHBondContact O-CA 3.29Å; E439-N485 HydrophobicContact CB-CB 4.44Å; E439-N485 PolarHBondContact N-O 3.48Å; E439-N485 PolarHBondContact O-N 2.93Å; E439-N487 PolarHBondContact OE1-ND2 3.38Å; E439-N487 PolarHBondContact OE2-ND2 3.23Å
440	F	94	Very high	86.7	Confident	14 Å²	14	54.3 Å²	54.3	6%	0.061	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	144.2	-174.1	59.1	-80.9	0	0	0	113.1	V438 N456 R458 F475 Y478 F484	V438-F440 HydrophobicContact CG1-CD1 4.13Å; F440-N456 HydrophobicContact CD1-CB 4.34Å; F440-N456 HydrophobicContact CD2-CB 4.16Å; F440-N456 HydrophobicContact CE1-CB 3.98Å; F440-N456 HydrophobicContact CE2-CB 3.79Å; F440-N456 HydrophobicContact CG-CB 4.44Å; F440-N456 HydrophobicContact CZ-CB 3.7Å; F440-N456 PolarHBondContact N-O 3.39Å; F440-N456 PolarHBondContact O-N 3.48Å; F440-N456 PolarHBondContact O-ND2 2.95Å; F440-R458 HydrophobicContact CE1-CG 3.98Å; F440-R458 HydrophobicContact CZ-CG 4.36Å; F440-F475 HydrophobicContact CB-CE1 4.32Å; F440-F475 AromaticContact CD1-CE1 3.9Å; F440-F475 HydrophobicContact CD1-CE1 3.9Å; F440-F475 HydrophobicContact CD2-CD1 4.29Å; F440-F475 HydrophobicContact CD2-CE1 4.29Å; F440-F475 HydrophobicContact CE1-CE1 4.26Å; F440-F475 HydrophobicContact CE2-CD1 4.43Å; F440-F475 HydrophobicContact CG-CD1 4.37Å; F440-F475 AromaticContact CG-CE1 3.92Å; F440-F475 HydrophobicContact CG-CE1 3.92Å; F440-Y478 HydrophobicContact CD2-CE2 4.22Å; F440-Y478 WeakPolarHBondContact CD2-OH 3.13Å; F440-F484 HydrophobicContact CB-CB 4.01Å
441	N	89.5	Confident	85.8	Confident	90 Å²	90	60.7 Å²	60.7	48%	0.481	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	119.5	-177.5	-64	-17.8	0	0	0	110.3	H455 Y478	N441-H455 PolarHBondContact OD1-ND1 2.8Å; N441-Y478 VanDerWaalsContact C-OH 3.25Å; N441-Y478 PolarHBondContact O-OH 2.87Å
442	R	83.3	Confident	85.1	Confident	71 Å²	71	62.4 Å²	62.4	27%	0.268	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	129.1	-179	-172.5	-170.3	68.2	87.3	-16	109.9	K454 N456 R477	R442-K454 PolarHBondContact N-O 2.87Å; R442-K454 PolarHBondContact O-N 2.9Å; R442-N456 WeakPolarHBondContact CB-ND2 3.4Å; R442-R477 HydrophobicContact CG-CB 4.32Å
443	E	81.1	Confident	84.4	Confident	106 Å²	106	67.8 Å²	67.8	50%	0.495	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	137.6	166.9	-68.8	-169.3	169.3	0	0	111.1	K451 T452 L453	E443-K451 IonicContact OE1-NZ 2.81Å; E443-K451 WeakPolarHBondContact OE2-CD 3.39Å; E443-K451 WeakPolarHBondContact OE2-CE 3.24Å; E443-K451 IonicContact OE2-NZ 2.7Å; E443-K451 PolarHBondContact OE2-NZ 3.43Å; E443-T452 CarbonylContact C-O 3.57Å; E443-T452 WeakPolarHBondContact CA-O 3.36Å; E443-L453 HydrophobicContact CG-CD2 3.81Å
444	V	79	Confident	83.9	Confident	25 Å²	25	72.9 Å²	72.9	15%	0.152	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	134.1	172.9	-157.3	0	0	0	0	107.5	E446 K451 T452 K454	V444-E446 HydrophobicContact CB-CG 4.48Å; V444-E446 HydrophobicContact CG1-CG 4.32Å; V444-K451 CarbonylContact O-C 3.44Å; V444-K451 WeakPolarHBondContact O-CA 3.32Å; V444-T452 PolarHBondContact N-O 2.73Å; V444-T452 PolarHBondContact O-N 3.21Å; V444-K454 HydrophobicContact CG2-CB 3.41Å; V444-K454 VanDerWaalsContact CG2-CB 3.41Å; V444-K454 HydrophobicContact CG2-CD 4.42Å
445	E	76.4	Confident	83.5	Confident	126 Å²	126	76.3 Å²	76.3	59%	0.589	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.3	119.6	164.9	-167.3	162	-162.3	0	0	106.8	E447 G449 I450	E445-E447 WeakPolarHBondContact CG-O 3.44Å; E445-G449 PolarHBondContact OE1-N 2.81Å; E445-I450 WeakPolarHBondContact CA-O 3.34Å
446	E	71.9	Confident	83.3	Confident	131 Å²	131	77.6 Å²	77.6	61%	0.612	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101	-34.6	-176.7	-70.8	-179.8	-163.8	0	0	111.6	V444 I450 T452	V444-E446 HydrophobicContact CB-CG 4.48Å; V444-E446 HydrophobicContact CG1-CG 4.32Å; E446-I450 PolarHBondContact N-O 2.95Å; E446-I450 VanDerWaalsContact N-O 3.14Å; E446-T452 VanDerWaalsContact CD-CG2 3.44Å; E446-T452 HydrophobicContact CG-CG2 4.08Å; E446-T452 WeakPolarHBondContact OE1-CB 3.47Å; E446-T452 WeakPolarHBondContact OE1-CG2 3.36Å; E446-T452 PolarHBondContact OE1-OG1 3.31Å
447	E	70.7	Confident	83.1	Confident	139 Å²	139	82.9 Å²	82.9	65%	0.65	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.8	163.4	170.1	-61.6	-174.4	159.1	0	0	108.3	E445 G449 I450	E445-E447 WeakPolarHBondContact CG-O 3.44Å; E447-G449 PolarHBondContact O-N 3.37Å; E447-I450 HydrophobicContact CB-CB 4.46Å; E447-I450 HydrophobicContact CB-CD1 4.28Å; E447-I450 HydrophobicContact CB-CG1 4.46Å; E447-I450 PolarHBondContact O-N 3.05Å
448	E	61.8	Low	83	Confident	199 Å²	199	86.8 Å²	86.8	93%	0.93	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	112.9	-175.2	-68.3	-170.5	146.9	0	0	112.3	I450	E448-I450 VanDerWaalsContact C-N 3.33Å; E448-I450 PolarHBondContact O-N 3.45Å
449	G	70.2	Confident	83	Confident	64 Å²	64	91 Å²	91	66%	0.66	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	-6.2	-178.8	0	0	0	0	0	116.2	E445 E447 K451	E445-G449 PolarHBondContact OE1-N 2.81Å; E447-G449 PolarHBondContact O-N 3.37Å; G449-K451 PolarHBondContact O-N 2.93Å
450	I	73.3	Confident	82.9	Confident	89 Å²	89	90.2 Å²	90.2	46%	0.456	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	98.9	177	-56.3	-174.1	0	0	0	110.1	E445 E446 E447 E448 T452	E445-I450 WeakPolarHBondContact CA-O 3.34Å; E446-I450 PolarHBondContact N-O 2.95Å; E446-I450 VanDerWaalsContact N-O 3.14Å; E447-I450 HydrophobicContact CB-CB 4.46Å; E447-I450 HydrophobicContact CB-CD1 4.28Å; E447-I450 HydrophobicContact CB-CG1 4.46Å; E447-I450 PolarHBondContact O-N 3.05Å; E448-I450 VanDerWaalsContact C-N 3.33Å; E448-I450 PolarHBondContact O-N 3.45Å; I450-T452 HydrophobicContact CG2-CG2 4.47Å
451	K	77.6	Confident	83.1	Confident	137 Å²	137	89.7 Å²	89.7	60%	0.596	44%	0.438	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.6	122.1	172.2	-70.1	-174.1	167.6	-159.2	0	112.1	E443 V444 G449	E443-K451 IonicContact OE1-NZ 2.81Å; E443-K451 WeakPolarHBondContact OE2-CD 3.39Å; E443-K451 WeakPolarHBondContact OE2-CE 3.24Å; E443-K451 IonicContact OE2-NZ 2.7Å; E443-K451 PolarHBondContact OE2-NZ 3.43Å; V444-K451 CarbonylContact O-C 3.44Å; V444-K451 WeakPolarHBondContact O-CA 3.32Å; G449-K451 PolarHBondContact O-N 2.93Å
452	T	81.4	Confident	83.4	Confident	38 Å²	38	91.3 Å²	91.3	23%	0.233	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	154.2	169.3	72.4	0	0	0	0	111	E443 V444 E446 I450	E443-T452 CarbonylContact C-O 3.57Å; E443-T452 WeakPolarHBondContact CA-O 3.36Å; V444-T452 PolarHBondContact N-O 2.73Å; V444-T452 PolarHBondContact O-N 3.21Å; E446-T452 VanDerWaalsContact CD-CG2 3.44Å; E446-T452 HydrophobicContact CG-CG2 4.08Å; E446-T452 WeakPolarHBondContact OE1-CB 3.47Å; E446-T452 WeakPolarHBondContact OE1-CG2 3.36Å; E446-T452 PolarHBondContact OE1-OG1 3.31Å; I450-T452 HydrophobicContact CG2-CG2 4.47Å
453	L	82.6	Confident	84	Confident	121 Å²	121	91.3 Å²	91.3	63%	0.634	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	98.5	174.2	-77	171.7	0	0	0	110.2	E443 H455	E443-L453 HydrophobicContact CG-CD2 3.81Å; L453-H455 PolarHBondContact O-N 3.24Å
454	K	86.1	Confident	84.7	Confident	116 Å²	116	87.5 Å²	87.5	50%	0.504	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	113.9	173	-179.1	163.9	-175.4	160.2	0	110.2	R442 V444 N456	R442-K454 PolarHBondContact N-O 2.87Å; R442-K454 PolarHBondContact O-N 2.9Å; V444-K454 HydrophobicContact CG2-CB 3.41Å; V444-K454 VanDerWaalsContact CG2-CB 3.41Å; V444-K454 HydrophobicContact CG2-CD 4.42Å; K454-N456 PolarHBondContact O-ND2 3.49Å
455	H	89.4	Confident	85.6	Confident	88 Å²	88	87 Å²	87	41%	0.407	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	135.4	167	-175.2	75.6	0	0	0	110.7	E439 N441 L453 K457	E439-H455 IonicContact OE2-CE1 3.92Å; E439-H455 PolarHBondContact OE2-CE1 2.99Å; E439-H455 IonicContact OE2-NE2 2.79Å; E439-H455 PolarHBondContact OE2-NE2 3.14Å; N441-H455 PolarHBondContact OD1-ND1 2.8Å; L453-H455 PolarHBondContact O-N 3.24Å; H455-K457 WeakPolarHBondContact NE2-CE 3.49Å
456	N	91.8	Very high	86.5	Confident	34 Å²	34	83.4 Å²	83.4	18%	0.182	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	138.4	-178.5	-48.3	-94	0	0	0	109.6	E439 F440 R442 K454	E439-N456 VanDerWaalsContact CA-O 3.31Å; E439-N456 WeakPolarHBondContact CA-O 3.31Å; F440-N456 HydrophobicContact CD1-CB 4.34Å; F440-N456 HydrophobicContact CD2-CB 4.16Å; F440-N456 HydrophobicContact CE1-CB 3.98Å; F440-N456 HydrophobicContact CE2-CB 3.79Å; F440-N456 HydrophobicContact CG-CB 4.44Å; F440-N456 HydrophobicContact CZ-CB 3.7Å; F440-N456 PolarHBondContact N-O 3.39Å; F440-N456 PolarHBondContact O-N 3.48Å; F440-N456 PolarHBondContact O-ND2 2.95Å; R442-N456 WeakPolarHBondContact CB-ND2 3.4Å; K454-N456 PolarHBondContact O-ND2 3.49Å
457	K	94.9	Very high	87.6	Confident	113 Å²	113	77.6 Å²	77.6	49%	0.491	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	139.5	172.1	-51.4	-159.1	172.2	-148.5	0	109.6	V438 E439 H455	V438-K457 CarbonylContact O-C 3.59Å; V438-K457 WeakPolarHBondContact O-CA 3.31Å; E439-K457 HydrophobicContact CG-CB 4.39Å; E439-K457 HydrophobicContact CG-CD 4.07Å; E439-K457 HydrophobicContact CG-CG 3.94Å; E439-K457 WeakPolarHBondContact OE1-CE 3.38Å; E439-K457 IonicContact OE1-NZ 2.75Å; E439-K457 PolarHBondContact OE1-NZ 3.1Å; E439-K457 VanDerWaalsContact OE2-CE 3.32Å; E439-K457 WeakPolarHBondContact OE2-CE 3.29Å; E439-K457 IonicContact OE2-NZ 2.76Å; E439-K457 PolarHBondContact OE2-NZ 2.96Å; H455-K457 WeakPolarHBondContact NE2-CE 3.49Å
458	R	95.4	Very high	88.8	Confident	105 Å²	105	73.3 Å²	73.3	40%	0.396	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	116.6	176.5	-74.7	-175.5	175	169.3	-6.5	110.5	Q437 V438 F440 L460 I473 T474	Q437-R458 CarbonylContact C-O 3.15Å; Q437-R458 VanDerWaalsContact CA-O 3.28Å; Q437-R458 WeakPolarHBondContact CA-O 3.28Å; Q437-R458 WeakPolarHBondContact CB-O 3.14Å; V438-R458 PolarHBondContact N-O 3.49Å; V438-R458 PolarHBondContact O-N 3.38Å; F440-R458 HydrophobicContact CE1-CG 3.98Å; F440-R458 HydrophobicContact CZ-CG 4.36Å; R458-L460 PolarHBondContact O-N 3.38Å; R458-I473 HydrophobicContact CB-CD1 4.34Å; R458-T474 PolarHBondContact NH1-O 3.21Å
459	I	95.9	Very high	90.4	Very high	88 Å²	88	66.5 Å²	66.5	45%	0.451	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	127.2	177	-54.8	171	0	0	0	109.7	Q437 F461 Q462	Q437-I459 HydrophobicContact CB-CG1 4.43Å; I459-F461 VanDerWaalsContact CG2-O 3.24Å; I459-F461 WeakPolarHBondContact CG2-O 3.36Å; I459-Q462 HydrophobicContact CD1-CG 4.47Å; I459-Q462 HydrophobicContact CG2-CB 4.48Å; I459-Q462 HydrophobicContact CG2-CG 3.67Å
460	L	95.5	Very high	91.6	Very high	1 Å²	1	71.7 Å²	71.7	1%	0.005	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	-58.1	169.3	-68.1	174.2	0	0	0	109.6	I436 V438 R458 K471 I473 F534	I436-L460 HydrophobicContact CG2-CD1 4.22Å; I436-L460 PolarHBondContact O-N 2.8Å; V438-L460 HydrophobicContact CG2-CD1 3.78Å; V438-L460 HydrophobicContact CG2-CD2 4.09Å; V438-L460 HydrophobicContact CG2-CG 3.91Å; R458-L460 PolarHBondContact O-N 3.38Å; L460-K471 HydrophobicContact CD2-CB 4.22Å; L460-K471 WeakPolarHBondContact O-CD 3.18Å; L460-K471 WeakPolarHBondContact O-CE 3.47Å; L460-K471 PolarHBondContact O-NZ 2.94Å; L460-I473 HydrophobicContact CD2-CD1 3.87Å; L460-I473 HydrophobicContact CD2-CG1 3.43Å; L460-I473 VanDerWaalsContact CD2-CG1 3.43Å; L460-F534 HydrophobicContact CD1-CB 4.25Å; L460-F534 HydrophobicContact CD1-CD1 3.74Å; L460-F534 HydrophobicContact CD1-CD2 4.03Å; L460-F534 HydrophobicContact CD1-CE1 4.03Å; L460-F534 HydrophobicContact CD1-CE2 4.3Å; L460-F534 HydrophobicContact CD1-CG 3.73Å; L460-F534 HydrophobicContact CD1-CZ 4.3Å; L460-F534 HydrophobicContact CD2-CB 4.39Å; L460-F534 HydrophobicContact CD2-CD2 3.46Å; L460-F534 VanDerWaalsContact CD2-CD2 3.46Å; L460-F534 HydrophobicContact CD2-CE2 3.81Å; L460-F534 HydrophobicContact CD2-CG 3.93Å; L460-F534 HydrophobicContact CG-CD2 4.43Å
461	F	96.5	Very high	92.7	Very high	3 Å²	3	70.9 Å²	70.9	1%	0.013	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	123.9	-174.4	-55.2	-74.3	0	0	0	108.2	P435 I436 I459 Q469 K471 F534 M536 L542	P435-F461 CarbonylContact C-O 3.59Å; P435-F461 WeakPolarHBondContact CA-O 3.47Å; P435-F461 WeakPolarHBondContact CB-O 3.43Å; I436-F461 HydrophobicContact CB-CD2 4.43Å; I436-F461 PolarHBondContact N-O 3.01Å; I436-F461 PolarHBondContact O-N 3.38Å; I459-F461 VanDerWaalsContact CG2-O 3.24Å; I459-F461 WeakPolarHBondContact CG2-O 3.36Å; F461-Q469 HydrophobicContact CD1-CB 4.46Å; F461-Q469 HydrophobicContact CE1-CB 3.95Å; F461-Q469 HydrophobicContact CE1-CG 4Å; F461-Q469 VanDerWaalsContact CE1-O 3.27Å; F461-Q469 WeakPolarHBondContact CE1-O 3.48Å; F461-Q469 WeakPolarHBondContact CZ-O 3.3Å; F461-K471 HydrophobicContact CD1-CG 4.19Å; F461-K471 HydrophobicContact CE1-CB 4.44Å; F461-K471 HydrophobicContact CE1-CG 3.53Å; F461-K471 HydrophobicContact CE2-CG 4.48Å; F461-K471 HydrophobicContact CZ-CB 4.14Å; F461-K471 HydrophobicContact CZ-CG 3.71Å; F461-F534 HydrophobicContact CE2-CB 4.44Å; F461-M536 HydrophobicContact CD1-CB 4.12Å; F461-M536 HydrophobicContact CD2-CB 4.5Å; F461-M536 HydrophobicContact CD2-CE 3.86Å; F461-M536 HydrophobicContact CE1-CB 3.69Å; F461-M536 HydrophobicContact CE2-CB 4.12Å; F461-M536 HydrophobicContact CE2-CE 4.27Å; F461-M536 HydrophobicContact CG-CE 4.2Å; F461-M536 HydrophobicContact CZ-CB 3.7Å; F461-L542 HydrophobicContact CD2-CD1 4.17Å; F461-L542 HydrophobicContact CE2-CD1 3.57Å
462	Q	96.3	Very high	93.7	Very high	123 Å²	123	67.5 Å²	67.5	58%	0.575	32%	0.32	S	S	*	.			trans	-86.7	161.2	179.8	-72.1	170.4	-49.4	0	0	110.7	I459 M464 A465	I459-Q462 HydrophobicContact CD1-CG 4.47Å; I459-Q462 HydrophobicContact CG2-CB 4.48Å; I459-Q462 HydrophobicContact CG2-CG 3.67Å; Q462-M464 PolarHBondContact O-N 3.46Å; Q462-A465 HydrophobicContact CB-CB 4.25Å; Q462-A465 WeakPolarHBondContact O-CB 3.35Å; Q462-A465 PolarHBondContact O-N 3.39Å
463	R	96.1	Very high	94.4	Very high	71 Å²	71	66.6 Å²	66.6	27%	0.268	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	136	168.9	-174.4	176.3	-174.1	-146.3	-0.4	109.2	A432 A465 F493	A432-R463 CarbonylContact O-C 3.57Å; A432-R463 WeakPolarHBondContact O-CA 3.46Å; R463-A465 PolarHBondContact O-N 2.84Å; R463-F493 VanDerWaalsContact CZ-CG 3.44Å; R463-F493 VanDerWaalsContact NH2-CD2 3.32Å
464	M	96.8	Very high	95	Very high	27 Å²	27	62.7 Å²	62.7	13%	0.133	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	59	13.2	-172.3	-55.4	-58.9	92	0	0	115.9	A360 A431 A432 I433 Q462	A360-M464 HydrophobicContact CB-CG 4.22Å; A360-M464 HydrophobicContact CB-SD 4.31Å; A431-M464 HydrophobicContact CB-CE 4.41Å; A431-M464 HydrophobicContact CB-SD 4.1Å; A432-M464 PolarHBondContact O-N 3.35Å; I433-M464 HydrophobicContact CD1-CE 3.67Å; Q462-M464 PolarHBondContact O-N 3.46Å
465	A	95.9	Very high	95.4	Very high	14 Å²	14	57.3 Å²	57.3	12%	0.116	27%	0.271	C	S	.	.			trans	-66.9	134.1	172	0	0	0	0	0	110.5	A432 Q462 R463	A432-A465 PolarHBondContact N-O 3.24Å; Q462-A465 HydrophobicContact CB-CB 4.25Å; Q462-A465 WeakPolarHBondContact O-CB 3.35Å; Q462-A465 PolarHBondContact O-N 3.39Å; R463-A465 PolarHBondContact O-N 2.84Å
466	P	95.9	Very high	95.4	Very high	50 Å²	50	58.2 Å²	58.2	33%	0.325	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	137.1	-176.8	28.7	-34.5	0	0	0	112	D430	D430-P466 VanDerWaalsContact O-CA 3.26Å; D430-P466 WeakPolarHBondContact O-CA 3.5Å
467	Y	95.1	Very high	95.2	Very high	10 Å²	10	66.1 Å²	66.1	4%	0.039	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	167.2	174.7	72.6	-98.8	0	0	0	111.7	N197 D430 A432 M536 D537	N197-Y467 PolarHBondContact ND2-OH 3.25Å; D430-Y467 HydrophobicContact CB-CD1 4.35Å; D430-Y467 HydrophobicContact CB-CE1 3.83Å; D430-Y467 HydrophobicContact CB-CE2 4.03Å; D430-Y467 PolarHBondContact O-N 2.84Å; A432-Y467 HydrophobicContact CB-CD1 4.49Å; Y467-M536 HydrophobicContact CD2-CG 4.49Å; Y467-M536 HydrophobicContact CG-CG 4.11Å; Y467-D537 VanDerWaalsContact CD2-O 3.28Å; Y467-D537 WeakPolarHBondContact CD2-O 3.35Å
468	P	95.2	Very high	94.9	Very high	49 Å²	49	62.4 Å²	62.4	32%	0.318	29%	0.29	S	S	.	.	S	Bend	cis	-60.8	150.3	-6.2	29.6	-39.3	0	0	0	112.9	M536 E538	P468-M536 CarbonylContact C-O 3.57Å; P468-M536 VanDerWaalsContact CA-O 3.24Å; P468-M536 WeakPolarHBondContact CA-O 3.43Å; P468-M536 WeakPolarHBondContact CB-O 3.5Å; P468-E538 HydrophobicContact CB-CG 4.01Å; P468-E538 HydrophobicContact CG-CG 3.81Å
469	Q	95.5	Very high	94.6	Very high	56 Å²	56	61 Å²	61	26%	0.262	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	131.7	-178.8	-178.5	170.4	98.9	0	0	112.8	F461 M536	F461-Q469 HydrophobicContact CD1-CB 4.46Å; F461-Q469 HydrophobicContact CE1-CB 3.95Å; F461-Q469 HydrophobicContact CE1-CG 4Å; F461-Q469 VanDerWaalsContact CE1-O 3.27Å; F461-Q469 WeakPolarHBondContact CE1-O 3.48Å; F461-Q469 WeakPolarHBondContact CZ-O 3.3Å; Q469-M536 PolarHBondContact N-O 3.37Å; Q469-M536 PolarHBondContact O-N 3.49Å
470	R	96.7	Very high	94.5	Very high	173 Å²	173	61.2 Å²	61.2	65%	0.653	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.4	146.1	168.8	-74.3	-178.4	166.6	140.2	2.2	112.3	F534 N535 D545	R470-F534 CarbonylContact C-O 3.53Å; R470-F534 VanDerWaalsContact CA-O 3.31Å; R470-F534 WeakPolarHBondContact CA-O 3.47Å; R470-N535 HydrophobicContact CG-CB 4.03Å; R470-N535 WeakPolarHBondContact CG-OD1 3.19Å; R470-D545 IonicContact CZ-OD2 3.15Å; R470-D545 IonicContact NE-OD2 3.1Å; R470-D545 PolarHBondContact NE-OD2 3.39Å; R470-D545 IonicContact NH2-OD2 2.66Å
471	K	96.8	Very high	94.4	Very high	72 Å²	72	65.4 Å²	65.4	31%	0.313	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	148.7	178.6	-71.9	-76.3	172.8	132.6	0	110	L460 F461 F534	L460-K471 HydrophobicContact CD2-CB 4.22Å; L460-K471 WeakPolarHBondContact O-CD 3.18Å; L460-K471 WeakPolarHBondContact O-CE 3.47Å; L460-K471 PolarHBondContact O-NZ 2.94Å; F461-K471 HydrophobicContact CD1-CG 4.19Å; F461-K471 HydrophobicContact CE1-CB 4.44Å; F461-K471 HydrophobicContact CE1-CG 3.53Å; F461-K471 HydrophobicContact CE2-CG 4.48Å; F461-K471 HydrophobicContact CZ-CB 4.14Å; F461-K471 HydrophobicContact CZ-CG 3.71Å; K471-F534 HydrophobicContact CB-CB 4.4Å; K471-F534 PolarHBondContact N-O 3.46Å; K471-F534 PolarHBondContact O-N 2.88Å
472	V	96.9	Very high	94.4	Very high	65 Å²	65	66.3 Å²	66.3	39%	0.394	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	129.9	173.9	-173.7	0	0	0	0	109.1	K531 A532 H533	V472-K531 HydrophobicContact CG1-CB 3.81Å; V472-K531 HydrophobicContact CG1-CD 4.29Å; V472-K531 HydrophobicContact CG1-CG 4.14Å; V472-A532 WeakPolarHBondContact CA-O 3.43Å; V472-H533 WeakPolarHBondContact CG2-CE1 3.3Å
473	I	96.1	Very high	94.3	Very high	19 Å²	19	62.7 Å²	62.7	10%	0.097	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	120.1	173	-63.7	-64.1	0	0	0	109.1	R458 L460 F475 K531 A532 F534	R458-I473 HydrophobicContact CB-CD1 4.34Å; L460-I473 HydrophobicContact CD2-CD1 3.87Å; L460-I473 HydrophobicContact CD2-CG1 3.43Å; L460-I473 VanDerWaalsContact CD2-CG1 3.43Å; I473-F475 HydrophobicContact CB-CE2 4.39Å; I473-F475 HydrophobicContact CG2-CD2 4.3Å; I473-F475 HydrophobicContact CG2-CE1 4.08Å; I473-F475 HydrophobicContact CG2-CE2 3.84Å; I473-F475 HydrophobicContact CG2-CZ 3.73Å; I473-K531 WeakPolarHBondContact O-CA 3.46Å; I473-A532 PolarHBondContact N-O 3.38Å; I473-A532 PolarHBondContact O-N 3.04Å; I473-F534 HydrophobicContact CB-CE2 4.12Å; I473-F534 HydrophobicContact CG1-CD2 4.3Å; I473-F534 HydrophobicContact CG1-CE2 3.91Å
474	T	95.6	Very high	94.4	Very high	40 Å²	40	59.4 Å²	59.4	25%	0.245	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	130.8	175.5	-36.5	0	0	0	0	111.6	R458 N476 K528 I530 K531	R458-T474 PolarHBondContact NH1-O 3.21Å; T474-N476 WeakPolarHBondContact CB-OD1 3.47Å; T474-N476 WeakPolarHBondContact CG2-OD1 3.43Å; T474-K528 WeakPolarHBondContact CG2-O 3.42Å; T474-I530 CarbonylContact C-O 3.56Å; T474-I530 WeakPolarHBondContact CA-O 3.48Å; T474-K531 HydrophobicContact CG2-CG 3.81Å
475	F	94.5	Very high	94.4	Very high	3 Å²	3	60.5 Å²	60.5	1%	0.013	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	80.2	179.9	-61.2	-85.1	0	0	0	109.7	V438 F440 I473 R477 Y478 F482 F484 I530 A532	V438-F475 HydrophobicContact CG1-CE1 4.4Å; V438-F475 HydrophobicContact CG1-CZ 4.08Å; F440-F475 HydrophobicContact CB-CE1 4.32Å; F440-F475 AromaticContact CD1-CE1 3.9Å; F440-F475 HydrophobicContact CD1-CE1 3.9Å; F440-F475 HydrophobicContact CD2-CD1 4.29Å; F440-F475 HydrophobicContact CD2-CE1 4.29Å; F440-F475 HydrophobicContact CE1-CE1 4.26Å; F440-F475 HydrophobicContact CE2-CD1 4.43Å; F440-F475 HydrophobicContact CG-CD1 4.37Å; F440-F475 AromaticContact CG-CE1 3.92Å; F440-F475 HydrophobicContact CG-CE1 3.92Å; I473-F475 HydrophobicContact CB-CE2 4.39Å; I473-F475 HydrophobicContact CG2-CD2 4.3Å; I473-F475 HydrophobicContact CG2-CE1 4.08Å; I473-F475 HydrophobicContact CG2-CE2 3.84Å; I473-F475 HydrophobicContact CG2-CZ 3.73Å; F475-R477 PolarHBondContact O-N 2.81Å; F475-Y478 HydrophobicContact CB-CD2 3.92Å; F475-Y478 HydrophobicContact CB-CE2 4.34Å; F475-Y478 HydrophobicContact CD1-CD2 4.49Å; F475-Y478 HydrophobicContact CD1-CE2 4.12Å; F475-F482 HydrophobicContact CB-CE2 4.49Å; F475-F482 HydrophobicContact CB-CZ 3.83Å; F475-F482 AromaticContact CD1-CE2 3.87Å; F475-F482 HydrophobicContact CD1-CE2 3.87Å; F475-F482 HydrophobicContact CD1-CZ 4Å; F475-F482 HydrophobicContact CD2-CE2 4.45Å; F475-F482 AromaticContact CD2-CZ 3.96Å; F475-F482 HydrophobicContact CD2-CZ 3.96Å; F475-F482 HydrophobicContact CE1-CE2 4.08Å; F475-F482 HydrophobicContact CE2-CZ 4.45Å; F475-F482 HydrophobicContact CG-CE2 4.06Å; F475-F482 AromaticContact CG-CZ 3.7Å; F475-F482 HydrophobicContact CG-CZ 3.7Å; F475-F482 HydrophobicContact CZ-CE2 4.44Å; F475-F484 HydrophobicContact CE1-CB 4.44Å; F475-F484 HydrophobicContact CE1-CD1 4.3Å; F475-F484 HydrophobicContact CE1-CG 4.45Å; F475-F484 HydrophobicContact CE2-CD1 4.07Å; F475-F484 AromaticContact CE2-CE1 3.95Å; F475-F484 HydrophobicContact CE2-CE1 3.95Å; F475-F484 HydrophobicContact CZ-CB 4.36Å; F475-F484 AromaticContact CZ-CD1 3.6Å; F475-F484 HydrophobicContact CZ-CD1 3.6Å; F475-F484 HydrophobicContact CZ-CD2 4.44Å; F475-F484 AromaticContact CZ-CE1 3.89Å; F475-F484 HydrophobicContact CZ-CE1 3.89Å; F475-F484 AromaticContact CZ-CG 3.9Å; F475-F484 HydrophobicContact CZ-CG 3.9Å; F475-F484 HydrophobicContact CZ-CZ 4.42Å; F475-I530 HydrophobicContact CB-CB 4.37Å; F475-I530 PolarHBondContact N-O 2.61Å; F475-I530 PolarHBondContact O-N 3.13Å; F475-A532 HydrophobicContact CE2-CB 3.95Å
476	N	89.9	Confident	94.5	Very high	107 Å²	107	60 Å²	60	57%	0.572	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	7.1	-171.7	-52	32	0	0	0	115.3	T474	T474-N476 WeakPolarHBondContact CB-OD1 3.47Å; T474-N476 WeakPolarHBondContact CG2-OD1 3.43Å
477	R	86.7	Confident	94.5	Very high	199 Å²	199	58.6 Å²	58.6	75%	0.751	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.7	15.2	-168.1	-65.3	-64.4	-171.1	177.2	2.5	113.7	R442 F475	R442-R477 HydrophobicContact CG-CB 4.32Å; F475-R477 PolarHBondContact O-N 2.81Å
478	Y	88.9	Confident	94.7	Very high	36 Å²	36	58.5 Å²	58.5	14%	0.141	29%	0.291	C	S	.	.			trans	-116.8	132.7	170.1	-59	-94.9	0	0	0	107.6	F440 N441 F475 F482 F519 I530	F440-Y478 HydrophobicContact CD2-CE2 4.22Å; F440-Y478 WeakPolarHBondContact CD2-OH 3.13Å; N441-Y478 VanDerWaalsContact C-OH 3.25Å; N441-Y478 PolarHBondContact O-OH 2.87Å; F475-Y478 HydrophobicContact CB-CD2 3.92Å; F475-Y478 HydrophobicContact CB-CE2 4.34Å; F475-Y478 HydrophobicContact CD1-CD2 4.49Å; F475-Y478 HydrophobicContact CD1-CE2 4.12Å; Y478-F482 HydrophobicContact CD1-CB 3.57Å; Y478-F482 AromaticContact CD1-CD1 3.75Å; Y478-F482 HydrophobicContact CD1-CD1 3.75Å; Y478-F482 AromaticContact CD1-CD2 3.8Å; Y478-F482 HydrophobicContact CD1-CD2 3.8Å; Y478-F482 HydrophobicContact CD1-CE1 4.34Å; Y478-F482 HydrophobicContact CD1-CE2 4.4Å; Y478-F482 AromaticContact CD1-CG 3.44Å; Y478-F482 HydrophobicContact CD1-CG 3.44Å; Y478-F482 VanDerWaalsContact CD1-CG 3.44Å; Y478-F482 HydrophobicContact CD2-CD1 4.35Å; Y478-F482 HydrophobicContact CD2-CD2 4.24Å; Y478-F482 HydrophobicContact CD2-CE1 4.12Å; Y478-F482 HydrophobicContact CD2-CE2 4.02Å; Y478-F482 HydrophobicContact CD2-CG 4.4Å; Y478-F482 AromaticContact CD2-CZ 3.95Å; Y478-F482 HydrophobicContact CD2-CZ 3.95Å; Y478-F482 HydrophobicContact CE1-CB 3.87Å; Y478-F482 AromaticContact CE1-CD2 3.76Å; Y478-F482 HydrophobicContact CE1-CD2 3.76Å; Y478-F482 HydrophobicContact CE1-CE2 4.43Å; Y478-F482 AromaticContact CE1-CG 3.82Å; Y478-F482 HydrophobicContact CE1-CG 3.82Å; Y478-F482 HydrophobicContact CE2-CD2 4.18Å; Y478-F482 HydrophobicContact CE2-CE2 4.03Å; Y478-F482 HydrophobicContact CE2-CZ 4.4Å; Y478-F482 HydrophobicContact CG-CB 4.36Å; Y478-F482 AromaticContact CG-CD1 3.64Å; Y478-F482 HydrophobicContact CG-CD1 3.64Å; Y478-F482 HydrophobicContact CG-CD2 4.04Å; Y478-F482 AromaticContact CG-CE1 3.79Å; Y478-F482 HydrophobicContact CG-CE1 3.79Å; Y478-F482 HydrophobicContact CG-CE2 4.19Å; Y478-F482 AromaticContact CG-CG 3.76Å; Y478-F482 HydrophobicContact CG-CG 3.76Å; Y478-F482 HydrophobicContact CG-CZ 4.07Å; Y478-F482 AromaticContact CZ-CD2 3.95Å; Y478-F519 WeakPolarHBondContact O-CZ 3.36Å; Y478-I530 WeakPolarHBondContact O-CD1 3.46Å
479	T	90.1	Very high	94.7	Very high	75 Å²	75	56.9 Å²	56.9	46%	0.46	28%	0.283	S	S	.	.			trans	-109.9	-14	172.8	41	0	0	0	0	111.7	G516 F519	T479-G516 VanDerWaalsContact O-CA 3.23Å; T479-G516 WeakPolarHBondContact O-CA 3.45Å; T479-G516 PolarHBondContact O-N 2.84Å; T479-F519 HydrophobicContact CG2-CD1 3.92Å; T479-F519 HydrophobicContact CG2-CE1 3.93Å
480	D	92.8	Very high	94.7	Very high	93 Å²	93	59.1 Å²	59.1	50%	0.497	30%	0.297	S	S	.	.	S	Bend	trans	-133.6	171.1	-168.3	-60	-90.9	0	0	0	110.1	F482	D480-F482 WeakPolarHBondContact O-CD1 3.27Å; D480-F482 PolarHBondContact O-N 3.46Å
481	D	94.9	Very high	94.7	Very high	89 Å²	89	51.5 Å²	51.5	48%	0.476	27%	0.269	S	S	.	.			trans	-61.7	131.1	-172.8	-66.4	6.9	0	0	0	111.8	L512 S513 G514 V515 G516	D481-L512 WeakPolarHBondContact CB-O 3.19Å; D481-S513 VanDerWaalsContact OD2-CA 3.24Å; D481-S513 WeakPolarHBondContact OD2-CA 3.33Å; D481-G514 VanDerWaalsContact CG-N 3.29Å; D481-G514 PolarHBondContact OD1-N 3.48Å; D481-G514 PolarHBondContact OD2-N 2.88Å; D481-V515 WeakPolarHBondContact OD1-CB 3.46Å; D481-V515 PolarHBondContact OD1-N 2.96Å; D481-G516 PolarHBondContact OD1-N 3.44Å
482	F	95.1	Very high	94.6	Very high	21 Å²	21	52.3 Å²	52.3	9%	0.092	28%	0.284	C	S	.	.			trans	-148.7	169.9	-173.1	76.1	-83	0	0	0	112.7	F475 Y478 D480 F484 L512 I530	F475-F482 HydrophobicContact CB-CE2 4.49Å; F475-F482 HydrophobicContact CB-CZ 3.83Å; F475-F482 AromaticContact CD1-CE2 3.87Å; F475-F482 HydrophobicContact CD1-CE2 3.87Å; F475-F482 HydrophobicContact CD1-CZ 4Å; F475-F482 HydrophobicContact CD2-CE2 4.45Å; F475-F482 AromaticContact CD2-CZ 3.96Å; F475-F482 HydrophobicContact CD2-CZ 3.96Å; F475-F482 HydrophobicContact CE1-CE2 4.08Å; F475-F482 HydrophobicContact CE2-CZ 4.45Å; F475-F482 HydrophobicContact CG-CE2 4.06Å; F475-F482 AromaticContact CG-CZ 3.7Å; F475-F482 HydrophobicContact CG-CZ 3.7Å; F475-F482 HydrophobicContact CZ-CE2 4.44Å; Y478-F482 HydrophobicContact CD1-CB 3.57Å; Y478-F482 AromaticContact CD1-CD1 3.75Å; Y478-F482 HydrophobicContact CD1-CD1 3.75Å; Y478-F482 AromaticContact CD1-CD2 3.8Å; Y478-F482 HydrophobicContact CD1-CD2 3.8Å; Y478-F482 HydrophobicContact CD1-CE1 4.34Å; Y478-F482 HydrophobicContact CD1-CE2 4.4Å; Y478-F482 AromaticContact CD1-CG 3.44Å; Y478-F482 HydrophobicContact CD1-CG 3.44Å; Y478-F482 VanDerWaalsContact CD1-CG 3.44Å; Y478-F482 HydrophobicContact CD2-CD1 4.35Å; Y478-F482 HydrophobicContact CD2-CD2 4.24Å; Y478-F482 HydrophobicContact CD2-CE1 4.12Å; Y478-F482 HydrophobicContact CD2-CE2 4.02Å; Y478-F482 HydrophobicContact CD2-CG 4.4Å; Y478-F482 AromaticContact CD2-CZ 3.95Å; Y478-F482 HydrophobicContact CD2-CZ 3.95Å; Y478-F482 HydrophobicContact CE1-CB 3.87Å; Y478-F482 AromaticContact CE1-CD2 3.76Å; Y478-F482 HydrophobicContact CE1-CD2 3.76Å; Y478-F482 HydrophobicContact CE1-CE2 4.43Å; Y478-F482 AromaticContact CE1-CG 3.82Å; Y478-F482 HydrophobicContact CE1-CG 3.82Å; Y478-F482 HydrophobicContact CE2-CD2 4.18Å; Y478-F482 HydrophobicContact CE2-CE2 4.03Å; Y478-F482 HydrophobicContact CE2-CZ 4.4Å; Y478-F482 HydrophobicContact CG-CB 4.36Å; Y478-F482 AromaticContact CG-CD1 3.64Å; Y478-F482 HydrophobicContact CG-CD1 3.64Å; Y478-F482 HydrophobicContact CG-CD2 4.04Å; Y478-F482 AromaticContact CG-CE1 3.79Å; Y478-F482 HydrophobicContact CG-CE1 3.79Å; Y478-F482 HydrophobicContact CG-CE2 4.19Å; Y478-F482 AromaticContact CG-CG 3.76Å; Y478-F482 HydrophobicContact CG-CG 3.76Å; Y478-F482 HydrophobicContact CG-CZ 4.07Å; Y478-F482 AromaticContact CZ-CD2 3.95Å; D480-F482 WeakPolarHBondContact O-CD1 3.27Å; D480-F482 PolarHBondContact O-N 3.46Å; F482-F484 HydrophobicContact CE2-CD1 4.07Å; F482-L512 HydrophobicContact CD1-CD1 4.27Å; F482-L512 HydrophobicContact CE1-CD1 3.65Å; F482-L512 HydrophobicContact CE2-CD1 4.26Å; F482-L512 HydrophobicContact CZ-CD1 3.63Å; F482-L512 PolarHBondContact N-O 2.9Å; F482-L512 PolarHBondContact O-N 3.35Å; F482-I530 HydrophobicContact CE1-CB 4.49Å; F482-I530 HydrophobicContact CE1-CD1 4.18Å; F482-I530 HydrophobicContact CE1-CG1 4.28Å
483	A	95.8	Very high	94.4	Very high	48 Å²	48	51.2 Å²	51.2	40%	0.397	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	151.9	176	0	0	0	0	0	112.5	T509 V510 K511	A483-T509 HydrophobicContact CB-CG2 4.41Å; A483-V510 CarbonylContact C-O 3.52Å; A483-V510 WeakPolarHBondContact CA-O 3.47Å; A483-V510 WeakPolarHBondContact CB-O 3.5Å; A483-K511 HydrophobicContact CB-CB 4.48Å; A483-K511 HydrophobicContact CB-CG 4.17Å
484	F	96.5	Very high	94.4	Very high	2 Å²	2	51 Å²	51	1%	0.009	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	155.4	171.4	65.6	-98.8	0	0	0	110.8	V438 E439 F440 F475 F482 I486 V510 L512 A532 F534 L544	V438-F484 HydrophobicContact CG1-CB 4.11Å; V438-F484 HydrophobicContact CG1-CD2 3.58Å; V438-F484 HydrophobicContact CG1-CE2 4.23Å; V438-F484 HydrophobicContact CG1-CG 4.04Å; E439-F484 WeakPolarHBondContact O-CA 3.29Å; F440-F484 HydrophobicContact CB-CB 4.01Å; F475-F484 HydrophobicContact CE1-CB 4.44Å; F475-F484 HydrophobicContact CE1-CD1 4.3Å; F475-F484 HydrophobicContact CE1-CG 4.45Å; F475-F484 HydrophobicContact CE2-CD1 4.07Å; F475-F484 AromaticContact CE2-CE1 3.95Å; F475-F484 HydrophobicContact CE2-CE1 3.95Å; F475-F484 HydrophobicContact CZ-CB 4.36Å; F475-F484 AromaticContact CZ-CD1 3.6Å; F475-F484 HydrophobicContact CZ-CD1 3.6Å; F475-F484 HydrophobicContact CZ-CD2 4.44Å; F475-F484 AromaticContact CZ-CE1 3.89Å; F475-F484 HydrophobicContact CZ-CE1 3.89Å; F475-F484 AromaticContact CZ-CG 3.9Å; F475-F484 HydrophobicContact CZ-CG 3.9Å; F475-F484 HydrophobicContact CZ-CZ 4.42Å; F482-F484 HydrophobicContact CE2-CD1 4.07Å; F484-I486 HydrophobicContact CD2-CG1 4.36Å; F484-I486 HydrophobicContact CE2-CD1 4.4Å; F484-I486 HydrophobicContact CE2-CG1 4.01Å; F484-V510 HydrophobicContact CD1-CB 4.25Å; F484-V510 HydrophobicContact CD2-CB 4.06Å; F484-V510 HydrophobicContact CD2-CG2 4.16Å; F484-V510 HydrophobicContact CE1-CB 3.88Å; F484-V510 HydrophobicContact CE1-CG1 3.8Å; F484-V510 HydrophobicContact CE2-CB 3.68Å; F484-V510 HydrophobicContact CE2-CG1 4.27Å; F484-V510 HydrophobicContact CE2-CG2 3.52Å; F484-V510 HydrophobicContact CG-CB 4.35Å; F484-V510 HydrophobicContact CZ-CB 3.59Å; F484-V510 HydrophobicContact CZ-CG1 3.66Å; F484-V510 HydrophobicContact CZ-CG2 3.75Å; F484-V510 PolarHBondContact N-O 2.79Å; F484-V510 PolarHBondContact O-N 2.89Å; F484-L512 HydrophobicContact CE1-CD1 4.17Å; F484-L512 HydrophobicContact CE1-CD2 4.49Å; F484-L512 HydrophobicContact CE1-CG 4.41Å; F484-A532 HydrophobicContact CE1-CB 4.46Å; F484-A532 HydrophobicContact CZ-CB 4.08Å; F484-F534 HydrophobicContact CE2-CE1 4.38Å; F484-F534 AromaticContact CE2-CZ 3.85Å; F484-F534 HydrophobicContact CE2-CZ 3.85Å; F484-F534 HydrophobicContact CZ-CZ 4.08Å; F484-L544 HydrophobicContact CZ-CD2 4.21Å
485	N	97.2	Very high	94.2	Very high	49 Å²	49	51.4 Å²	51.4	26%	0.262	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	146.8	176.4	-61.6	-44.3	0	0	0	110.9	V438 E439 T508 T509	V438-N485 CarbonylContact C-O 3.5Å; V438-N485 VanDerWaalsContact CA-O 3.29Å; V438-N485 WeakPolarHBondContact CA-O 3.39Å; E439-N485 HydrophobicContact CB-CB 4.44Å; E439-N485 PolarHBondContact N-O 3.48Å; E439-N485 PolarHBondContact O-N 2.93Å; N485-T508 CarbonylContact C-O 3.47Å; N485-T508 WeakPolarHBondContact CA-O 3.31Å; N485-T509 WeakPolarHBondContact OD1-CB 3.34Å; N485-T509 WeakPolarHBondContact OD1-CG2 3.12Å; N485-T509 PolarHBondContact OD1-OG1 3.45Å
486	I	97.8	Very high	94	Very high	5 Å²	5	58.9 Å²	58.9	3%	0.026	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	116.6	167.2	-52	176.5	0	0	0	106.5	I436 F484 N506 L507 T508 V510 F534 L542	I436-I486 HydrophobicContact CG2-CG2 3.86Å; F484-I486 HydrophobicContact CD2-CG1 4.36Å; F484-I486 HydrophobicContact CE2-CD1 4.4Å; F484-I486 HydrophobicContact CE2-CG1 4.01Å; I486-N506 PolarHBondContact O-OD1 2.9Å; I486-L507 HydrophobicContact CG2-CB 4.4Å; I486-L507 HydrophobicContact CG2-CD1 4.12Å; I486-L507 WeakPolarHBondContact O-CB 3.4Å; I486-L507 PolarHBondContact O-N 3.37Å; I486-T508 PolarHBondContact N-O 2.88Å; I486-T508 PolarHBondContact O-N 2.86Å; I486-V510 HydrophobicContact CD1-CG2 3.84Å; I486-V510 HydrophobicContact CG1-CG2 4.16Å; I486-F534 HydrophobicContact CD1-CE1 3.77Å; I486-F534 HydrophobicContact CG1-CE1 4.3Å; I486-L542 HydrophobicContact CG2-CD2 3.58Å
487	N	97.4	Very high	94	Very high	20 Å²	20	58.4 Å²	58.4	11%	0.107	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	163.3	-177.1	-68.1	-12.3	0	0	0	110.3	I436 Q437 E439 L505 N506	I436-N487 WeakPolarHBondContact CA-O 3.45Å; I436-N487 WeakPolarHBondContact CG2-O 3.33Å; Q437-N487 HydrophobicContact CG-CB 4.35Å; Q437-N487 PolarHBondContact N-O 3.13Å; Q437-N487 PolarHBondContact O-N 2.82Å; E439-N487 PolarHBondContact OE1-ND2 3.38Å; E439-N487 PolarHBondContact OE2-ND2 3.23Å; N487-L505 WeakPolarHBondContact CA-O 3.36Å; N487-N506 WeakPolarHBondContact OD1-CA 3.26Å; N487-N506 WeakPolarHBondContact OD1-CB 3.25Å; N487-N506 PolarHBondContact OD1-OD1 2.97Å
488	Y	97.7	Very high	94.3	Very high	8 Å²	8	49.7 Å²	49.7	3%	0.031	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	152.5	157.8	-66.6	-81.2	0	0	0	110.4	N174 Q175 F434 P435 I436 Q437 F502 L505 L507	N174-Y488 WeakPolarHBondContact CB-OH 3.32Å; Q175-Y488 WeakPolarHBondContact CB-OH 3.49Å; Q175-Y488 HydrophobicContact CG-CE1 4.41Å; Q175-Y488 WeakPolarHBondContact CG-OH 3.3Å; Q175-Y488 PolarHBondContact N-OH 3.05Å; F434-Y488 HydrophobicContact CB-CD1 3.73Å; F434-Y488 HydrophobicContact CB-CE1 3.86Å; F434-Y488 HydrophobicContact CG-CE1 4.44Å; P435-Y488 CarbonylContact O-C 3.55Å; P435-Y488 WeakPolarHBondContact O-CA 3.45Å; I436-Y488 HydrophobicContact CG1-CD1 4.32Å; Q437-Y488 PolarHBondContact NE2-O 3.23Å; Y488-F502 HydrophobicContact CD1-CE1 4.49Å; Y488-F502 AromaticContact CD1-CZ 3.97Å; Y488-F502 HydrophobicContact CD1-CZ 3.97Å; Y488-F502 AromaticContact CD2-CE1 3.61Å; Y488-F502 HydrophobicContact CD2-CE1 3.61Å; Y488-F502 AromaticContact CD2-CZ 3.92Å; Y488-F502 HydrophobicContact CD2-CZ 3.92Å; Y488-F502 HydrophobicContact CE1-CE1 4.41Å; Y488-F502 AromaticContact CE1-CZ 3.79Å; Y488-F502 HydrophobicContact CE1-CZ 3.79Å; Y488-F502 AromaticContact CE2-CE1 3.49Å; Y488-F502 HydrophobicContact CE2-CE1 3.49Å; Y488-F502 VanDerWaalsContact CE2-CE1 3.49Å; Y488-F502 AromaticContact CE2-CZ 3.72Å; Y488-F502 HydrophobicContact CE2-CZ 3.72Å; Y488-F502 HydrophobicContact CG-CE1 4.1Å; Y488-F502 HydrophobicContact CG-CZ 4.02Å; Y488-F502 AromaticContact CZ-CE1 3.91Å; Y488-F502 AromaticContact CZ-CZ 3.64Å; Y488-L505 PolarHBondContact N-O 3.45Å; Y488-L507 HydrophobicContact CD2-CD2 4.31Å; Y488-L507 HydrophobicContact CD2-CG 4.26Å; Y488-L507 HydrophobicContact CE2-CD1 4.31Å; Y488-L507 HydrophobicContact CE2-CD2 3.47Å; Y488-L507 VanDerWaalsContact CE2-CD2 3.47Å; Y488-L507 HydrophobicContact CE2-CG 3.89Å
489	G	96.4	Very high	94.5	Very high	14 Å²	14	50.5 Å²	50.5	14%	0.144	28%	0.281	C	S	.	.			trans	-81.8	-143.7	177.9	0	0	0	0	0	112.4	P435 L491	P435-G489 PolarHBondContact O-N 2.76Å; G489-L491 PolarHBondContact O-N 3.1Å
490	D	95.3	Very high	94.6	Very high	103 Å²	103	49.4 Å²	49.4	55%	0.551	28%	0.277	S	S	*	.			trans	-69	126.5	172.3	-175.6	22.2	0	0	0	111.4	P435 S492 F493	P435-D490 WeakPolarHBondContact CG-O 3.43Å; D490-S492 VanDerWaalsContact CG-OG 3.22Å; D490-S492 WeakPolarHBondContact OD1-CB 3.26Å; D490-S492 PolarHBondContact OD1-N 3.07Å; D490-S492 PolarHBondContact OD1-OG 3.37Å; D490-S492 VanDerWaalsContact OD1-OG 3.06Å; D490-S492 PolarHBondContact OD2-OG 2.86Å; D490-F493 WeakPolarHBondContact O-CE1 3.33Å
491	L	96.5	Very high	94.6	Very high	14 Å²	14	45.4 Å²	45.4	7%	0.073	26%	0.256	C	S	.	.			trans	-118.2	15.9	176.2	-61.4	-178.2	0	0	0	112.1	F434 G489 F493 L494 L499 F502 L505	F434-L491 HydrophobicContact CB-CD2 4.28Å; F434-L491 HydrophobicContact CD1-CD2 3.95Å; G489-L491 PolarHBondContact O-N 3.1Å; L491-F493 HydrophobicContact CD2-CE1 3.94Å; L491-F493 HydrophobicContact CD2-CZ 4.17Å; L491-F493 PolarHBondContact O-N 2.8Å; L491-L494 HydrophobicContact CB-CD1 4.15Å; L491-L494 HydrophobicContact CB-CG 4.5Å; L491-L494 HydrophobicContact CD1-CD1 4.36Å; L491-L494 HydrophobicContact CD2-CD1 4.27Å; L491-L494 WeakPolarHBondContact O-CB 3.46Å; L491-L494 PolarHBondContact O-N 2.86Å; L491-L499 HydrophobicContact CB-CD2 3.95Å; L491-L499 HydrophobicContact CD1-CD2 4.39Å; L491-F502 HydrophobicContact CD1-CD1 4.48Å; L491-F502 HydrophobicContact CD1-CE1 4.09Å; L491-F502 HydrophobicContact CD1-CE2 4.44Å; L491-F502 HydrophobicContact CD1-CZ 4.07Å; L491-L505 HydrophobicContact CD1-CD2 3.69Å
492	S	94.8	Very high	94.6	Very high	89 Å²	89	41.4 Å²	41.4	62%	0.622	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-15.6	178	64.7	0	0	0	0	115.1	D490	D490-S492 VanDerWaalsContact CG-OG 3.22Å; D490-S492 WeakPolarHBondContact OD1-CB 3.26Å; D490-S492 PolarHBondContact OD1-N 3.07Å; D490-S492 PolarHBondContact OD1-OG 3.37Å; D490-S492 VanDerWaalsContact OD1-OG 3.06Å; D490-S492 PolarHBondContact OD2-OG 2.86Å
493	F	93.4	Very high	94.5	Very high	42 Å²	42	42.3 Å²	42.3	18%	0.184	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-10.2	175.9	70.7	-92.4	0	0	0	114.4	I433 F434 R463 D490 L491	I433-F493 WeakPolarHBondContact O-CZ 3.3Å; F434-F493 HydrophobicContact CD1-CZ 4.08Å; R463-F493 VanDerWaalsContact CZ-CG 3.44Å; R463-F493 VanDerWaalsContact NH2-CD2 3.32Å; D490-F493 WeakPolarHBondContact O-CE1 3.33Å; L491-F493 HydrophobicContact CD2-CE1 3.94Å; L491-F493 HydrophobicContact CD2-CZ 4.17Å; L491-F493 PolarHBondContact O-N 2.8Å
494	L	94.8	Very high	94.3	Very high	15 Å²	15	41.9 Å²	41.9	8%	0.079	24%	0.243	C	C	.	.	S	Bend	trans	-86.2	147.9	177.9	-66	-177.2	0	0	0	111.1	F259 F434 L491 D498 L499 F502	F259-L494 HydrophobicContact CE1-CD2 4.36Å; F259-L494 HydrophobicContact CE2-CD2 4.3Å; F259-L494 HydrophobicContact CZ-CD2 3.58Å; F434-L494 HydrophobicContact CD1-CD1 4.46Å; F434-L494 HydrophobicContact CE1-CD1 4.11Å; F434-L494 HydrophobicContact CE1-CD2 4.2Å; L491-L494 HydrophobicContact CB-CD1 4.15Å; L491-L494 HydrophobicContact CB-CG 4.5Å; L491-L494 HydrophobicContact CD1-CD1 4.36Å; L491-L494 HydrophobicContact CD2-CD1 4.27Å; L491-L494 WeakPolarHBondContact O-CB 3.46Å; L491-L494 PolarHBondContact O-N 2.86Å; L494-D498 HydrophobicContact CB-CB 4.15Å; L494-D498 HydrophobicContact CD2-CB 4.43Å; L494-L499 HydrophobicContact CB-CD1 4.46Å; L494-L499 HydrophobicContact CB-CD2 4.04Å; L494-L499 HydrophobicContact CB-CG 3.83Å; L494-L499 HydrophobicContact CD1-CD2 3.98Å; L494-F502 HydrophobicContact CD1-CD2 4.17Å; L494-F502 HydrophobicContact CD1-CE2 4.46Å
495	S	91.3	Very high	94.2	Very high	48 Å²	48	46.3 Å²	46.3	34%	0.336	27%	0.267	S	S	.	.			trans	-64.4	160.1	170.9	83.2	0	0	0	0	111.1	E497 D498 L499	S495-E497 PolarHBondContact O-N 3.19Å; S495-E497 PolarHBondContact OG-N 2.91Å; S495-D498 WeakPolarHBondContact CB-OD2 3.29Å; S495-D498 PolarHBondContact O-N 2.94Å; S495-D498 PolarHBondContact OG-N 3.42Å; S495-D498 PolarHBondContact OG-OD2 2.82Å; S495-L499 WeakPolarHBondContact O-CG 3.41Å; S495-L499 PolarHBondContact O-N 3.41Å
496	Q	90.7	Very high	94	Very high	160 Å²	160	46 Å²	46	75%	0.748	27%	0.265	S	S	*	.	H	α-helix	trans	-63.9	-28	172.7	-66.8	-63.9	-41	0	0	111.9	S500	Q496-S500 WeakPolarHBondContact O-CB 3.32Å; Q496-S500 PolarHBondContact O-N 2.97Å; Q496-S500 VanDerWaalsContact O-N 3.13Å
497	E	89.4	Confident	93.9	Very high	97 Å²	97	46 Å²	46	45%	0.453	27%	0.265	S	S	.	.	H	α-helix	trans	-66.4	-51.7	173.6	-168.8	176.3	146.9	0	0	110.1	S262 S495 L499 S500 V501	S262-E497 WeakPolarHBondContact CB-OE1 3.37Å; S262-E497 PolarHBondContact OG-OE1 2.92Å; S495-E497 PolarHBondContact O-N 3.19Å; S495-E497 PolarHBondContact OG-N 2.91Å; E497-L499 PolarHBondContact O-N 2.97Å; E497-S500 WeakPolarHBondContact O-CB 3.23Å; E497-S500 PolarHBondContact O-N 3.01Å; E497-S500 VanDerWaalsContact O-N 3.09Å; E497-S500 PolarHBondContact O-OG 2.85Å; E497-V501 PolarHBondContact O-N 2.84Å
498	D	92.5	Very high	93.9	Very high	15 Å²	15	46 Å²	46	8%	0.08	27%	0.266	C	S	.	.	H	α-helix	trans	-58.8	-46.4	178	-69.9	-71.3	0	0	0	112.5	R261 L494 S495 S500 V501 F502	R261-D498 VanDerWaalsContact CD-OD1 3.24Å; R261-D498 WeakPolarHBondContact CD-OD1 3.28Å; R261-D498 VanDerWaalsContact CG-OD1 3.26Å; R261-D498 WeakPolarHBondContact CG-OD1 3.36Å; L494-D498 HydrophobicContact CB-CB 4.15Å; L494-D498 HydrophobicContact CD2-CB 4.43Å; S495-D498 WeakPolarHBondContact CB-OD2 3.29Å; S495-D498 PolarHBondContact O-N 2.94Å; S495-D498 PolarHBondContact OG-N 3.42Å; S495-D498 PolarHBondContact OG-OD2 2.82Å; D498-S500 PolarHBondContact O-N 2.96Å; D498-V501 VanDerWaalsContact O-CG2 3.3Å; D498-V501 WeakPolarHBondContact O-CG2 3.41Å; D498-V501 PolarHBondContact O-N 3.49Å; D498-F502 WeakPolarHBondContact O-CB 3.15Å; D498-F502 PolarHBondContact O-N 3.22Å
499	L	93.5	Very high	93.8	Very high	54 Å²	54	46.9 Å²	46.9	28%	0.283	27%	0.272	S	S	.	.	H	α-helix	trans	-59	-37.3	176.2	-72.8	169.1	0	0	0	111.8	L491 L494 S495 E497 V501 F502	L491-L499 HydrophobicContact CB-CD2 3.95Å; L491-L499 HydrophobicContact CD1-CD2 4.39Å; L494-L499 HydrophobicContact CB-CD1 4.46Å; L494-L499 HydrophobicContact CB-CD2 4.04Å; L494-L499 HydrophobicContact CB-CG 3.83Å; L494-L499 HydrophobicContact CD1-CD2 3.98Å; S495-L499 WeakPolarHBondContact O-CG 3.41Å; S495-L499 PolarHBondContact O-N 3.41Å; E497-L499 PolarHBondContact O-N 2.97Å; L499-V501 VanDerWaalsContact C-N 3.34Å; L499-V501 PolarHBondContact O-N 3.02Å; L499-F502 PolarHBondContact O-N 3.22Å
500	S	92.5	Very high	93.9	Very high	51 Å²	51	46.2 Å²	46.2	36%	0.357	27%	0.265	S	S	.	.	H	α-helix	trans	-71.3	-24.5	179.9	81.4	0	0	0	0	114.2	Q496 E497 D498	Q496-S500 WeakPolarHBondContact O-CB 3.32Å; Q496-S500 PolarHBondContact O-N 2.97Å; Q496-S500 VanDerWaalsContact O-N 3.13Å; E497-S500 WeakPolarHBondContact O-CB 3.23Å; E497-S500 PolarHBondContact O-N 3.01Å; E497-S500 VanDerWaalsContact O-N 3.09Å; E497-S500 PolarHBondContact O-OG 2.85Å; D498-S500 PolarHBondContact O-N 2.96Å
501	V	94.1	Very high	94	Very high	10 Å²	10	44.9 Å²	44.9	6%	0.061	26%	0.255	C	S	.	.	H	α-helix	trans	-100.1	-13.1	176.2	-62.2	0	0	0	0	113.6	K99 N103 L104 Q105 E497 D498 L499 G503	K99-V501 PolarHBondContact NZ-O 3.47Å; N103-V501 PolarHBondContact ND2-O 3.17Å; L104-V501 HydrophobicContact CB-CG1 4.23Å; Q105-V501 HydrophobicContact CB-CB 4.13Å; Q105-V501 HydrophobicContact CB-CG1 4.07Å; E497-V501 PolarHBondContact O-N 2.84Å; D498-V501 VanDerWaalsContact O-CG2 3.3Å; D498-V501 WeakPolarHBondContact O-CG2 3.41Å; D498-V501 PolarHBondContact O-N 3.49Å; L499-V501 VanDerWaalsContact C-N 3.34Å; L499-V501 PolarHBondContact O-N 3.02Å; V501-G503 PolarHBondContact O-N 2.75Å
502	F	94.8	Very high	94	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.018	25%	0.253	C	S	.	.	H	α-helix	trans	-54.2	-56.7	-172.5	-172.4	-96.4	0	0	0	113.2	K99 N174 F434 Y488 L491 L494 D498 L499 L505	K99-F502 PolarHBondContact NZ-O 2.84Å; N174-F502 HydrophobicContact CB-CE2 3.9Å; N174-F502 HydrophobicContact CB-CZ 3.92Å; N174-F502 PolarHBondContact ND2-O 2.99Å; F434-F502 AromaticContact CD1-CE2 3.77Å; F434-F502 HydrophobicContact CD1-CE2 3.77Å; F434-F502 HydrophobicContact CD1-CZ 4.36Å; F434-F502 HydrophobicContact CD2-CE2 4.2Å; F434-F502 HydrophobicContact CE1-CD2 4.39Å; F434-F502 AromaticContact CE1-CE2 3.71Å; F434-F502 HydrophobicContact CE1-CE2 3.71Å; F434-F502 HydrophobicContact CE2-CE2 4.14Å; F434-F502 HydrophobicContact CG-CE2 4.03Å; F434-F502 HydrophobicContact CG-CZ 4.31Å; F434-F502 AromaticContact CZ-CE2 3.9Å; F434-F502 HydrophobicContact CZ-CE2 3.9Å; Y488-F502 HydrophobicContact CD1-CE1 4.49Å; Y488-F502 AromaticContact CD1-CZ 3.97Å; Y488-F502 HydrophobicContact CD1-CZ 3.97Å; Y488-F502 AromaticContact CD2-CE1 3.61Å; Y488-F502 HydrophobicContact CD2-CE1 3.61Å; Y488-F502 AromaticContact CD2-CZ 3.92Å; Y488-F502 HydrophobicContact CD2-CZ 3.92Å; Y488-F502 HydrophobicContact CE1-CE1 4.41Å; Y488-F502 AromaticContact CE1-CZ 3.79Å; Y488-F502 HydrophobicContact CE1-CZ 3.79Å; Y488-F502 AromaticContact CE2-CE1 3.49Å; Y488-F502 HydrophobicContact CE2-CE1 3.49Å; Y488-F502 VanDerWaalsContact CE2-CE1 3.49Å; Y488-F502 AromaticContact CE2-CZ 3.72Å; Y488-F502 HydrophobicContact CE2-CZ 3.72Å; Y488-F502 HydrophobicContact CG-CE1 4.1Å; Y488-F502 HydrophobicContact CG-CZ 4.02Å; Y488-F502 AromaticContact CZ-CE1 3.91Å; Y488-F502 AromaticContact CZ-CZ 3.64Å; L491-F502 HydrophobicContact CD1-CD1 4.48Å; L491-F502 HydrophobicContact CD1-CE1 4.09Å; L491-F502 HydrophobicContact CD1-CE2 4.44Å; L491-F502 HydrophobicContact CD1-CZ 4.07Å; L494-F502 HydrophobicContact CD1-CD2 4.17Å; L494-F502 HydrophobicContact CD1-CE2 4.46Å; D498-F502 WeakPolarHBondContact O-CB 3.15Å; D498-F502 PolarHBondContact O-N 3.22Å; L499-F502 PolarHBondContact O-N 3.22Å; F502-L505 HydrophobicContact CD1-CD2 3.74Å; F502-L505 HydrophobicContact CE1-CD2 3.92Å
503	G	92.6	Very high	94.1	Very high	40 Å²	40	43.1 Å²	43.1	41%	0.412	24%	0.243	S	C	.	.			trans	121.1	-148.1	-176	0	0	0	0	0	112.3	V501	V501-G503 PolarHBondContact O-N 2.75Å
504	S	92	Very high	94	Very high	39 Å²	39	42.7 Å²	42.7	27%	0.273	25%	0.25	S	S	.	.			trans	-70	139.9	177.7	-172.9	0	0	0	0	112	N506 N680	S504-N506 PolarHBondContact OG-N 3.29Å; S504-N506 PolarHBondContact OG-O 2.93Å; S504-N680 PolarHBondContact OG-O 3.37Å
505	L	94.1	Very high	94	Very high	96 Å²	96	42 Å²	42	50%	0.503	25%	0.247	S	C	.	.	S	Bend	trans	-87.9	-14.4	171.2	-56.5	-172.8	0	0	0	113.1	N487 Y488 L491 F502	N487-L505 WeakPolarHBondContact CA-O 3.36Å; Y488-L505 PolarHBondContact N-O 3.45Å; L491-L505 HydrophobicContact CD1-CD2 3.69Å; F502-L505 HydrophobicContact CD1-CD2 3.74Å; F502-L505 HydrophobicContact CE1-CD2 3.92Å
506	N	92.6	Very high	94	Very high	42 Å²	42	40.1 Å²	40.1	23%	0.225	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	122.9	175.8	-179.9	-16.5	0	0	0	108.9	I486 N487 S504 T508 N680 D681	I486-N506 PolarHBondContact O-OD1 2.9Å; N487-N506 WeakPolarHBondContact OD1-CA 3.26Å; N487-N506 WeakPolarHBondContact OD1-CB 3.25Å; N487-N506 PolarHBondContact OD1-OD1 2.97Å; S504-N506 PolarHBondContact OG-N 3.29Å; S504-N506 PolarHBondContact OG-O 2.93Å; N506-T508 PolarHBondContact OD1-N 3.07Å; N506-N680 HydrophobicContact CB-CB 4.19Å; N506-N680 VanDerWaalsContact CG-ND2 3.28Å; N506-N680 PolarHBondContact ND2-ND2 2.84Å; N506-N680 VanDerWaalsContact ND2-ND2 3.19Å; N506-N680 CarbonylContact O-C 3.59Å; N506-N680 WeakPolarHBondContact O-CB 3.26Å; N506-N680 WeakPolarHBondContact OD1-CB 3.35Å; N506-N680 PolarHBondContact OD1-ND2 3.24Å; N506-D681 PolarHBondContact O-N 3.44Å
507	L	95.3	Very high	94.1	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.021	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-50.9	-178.1	-66.1	169.5	0	0	0	111	Q175 I436 I486 Y488 L542 N680 D681	Q175-L507 HydrophobicContact CB-CD2 3.89Å; Q175-L507 HydrophobicContact CG-CD1 4.24Å; Q175-L507 HydrophobicContact CG-CD2 4.08Å; I436-L507 HydrophobicContact CD1-CD1 4.18Å; I436-L507 HydrophobicContact CG2-CD1 4.29Å; I486-L507 HydrophobicContact CG2-CB 4.4Å; I486-L507 HydrophobicContact CG2-CD1 4.12Å; I486-L507 WeakPolarHBondContact O-CB 3.4Å; I486-L507 PolarHBondContact O-N 3.37Å; Y488-L507 HydrophobicContact CD2-CD2 4.31Å; Y488-L507 HydrophobicContact CD2-CG 4.26Å; Y488-L507 HydrophobicContact CE2-CD1 4.31Å; Y488-L507 HydrophobicContact CE2-CD2 3.47Å; Y488-L507 VanDerWaalsContact CE2-CD2 3.47Å; Y488-L507 HydrophobicContact CE2-CG 3.89Å; L507-L542 HydrophobicContact CD1-CD2 4.28Å; L507-N680 PolarHBondContact O-N 2.85Å; L507-D681 HydrophobicContact CD2-CB 4.24Å; L507-D681 VanDerWaalsContact CD2-OD2 3.25Å; L507-D681 WeakPolarHBondContact CD2-OD2 3.4Å
508	T	96.6	Very high	94.2	Very high	21 Å²	21	34.2 Å²	34.2	13%	0.129	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	134	-169.7	-50.6	0	0	0	0	111.8	N485 I486 N506 V510 L677 L678 I679	N485-T508 CarbonylContact C-O 3.47Å; N485-T508 WeakPolarHBondContact CA-O 3.31Å; I486-T508 PolarHBondContact N-O 2.88Å; I486-T508 PolarHBondContact O-N 2.86Å; N506-T508 PolarHBondContact OD1-N 3.07Å; T508-V510 HydrophobicContact CG2-CG2 4.13Å; T508-L677 HydrophobicContact CG2-CB 4.13Å; T508-L677 HydrophobicContact CG2-CD2 4.29Å; T508-L678 CarbonylContact C-O 3.58Å; T508-L678 VanDerWaalsContact CA-O 3.26Å; T508-L678 WeakPolarHBondContact CA-O 3.3Å; T508-I679 HydrophobicContact CG2-CD1 4.12Å
509	T	97.1	Very high	94.2	Very high	26 Å²	26	35.3 Å²	35.3	16%	0.16	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	117.9	161.6	-60.9	0	0	0	0	108.3	A483 N485 L678 N680	A483-T509 HydrophobicContact CB-CG2 4.41Å; N485-T509 WeakPolarHBondContact OD1-CB 3.34Å; N485-T509 WeakPolarHBondContact OD1-CG2 3.12Å; N485-T509 PolarHBondContact OD1-OG1 3.45Å; T509-L678 PolarHBondContact N-O 2.98Å; T509-L678 PolarHBondContact O-N 2.93Å; T509-N680 PolarHBondContact N-ND2 3.37Å; T509-N680 PolarHBondContact OG1-ND2 2.93Å
510	V	97.5	Very high	94.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	117.5	175.3	-175.1	0	0	0	0	107.8	A483 F484 I486 T508 L512 L544 M675 L677	A483-V510 CarbonylContact C-O 3.52Å; A483-V510 WeakPolarHBondContact CA-O 3.47Å; A483-V510 WeakPolarHBondContact CB-O 3.5Å; F484-V510 HydrophobicContact CD1-CB 4.25Å; F484-V510 HydrophobicContact CD2-CB 4.06Å; F484-V510 HydrophobicContact CD2-CG2 4.16Å; F484-V510 HydrophobicContact CE1-CB 3.88Å; F484-V510 HydrophobicContact CE1-CG1 3.8Å; F484-V510 HydrophobicContact CE2-CB 3.68Å; F484-V510 HydrophobicContact CE2-CG1 4.27Å; F484-V510 HydrophobicContact CE2-CG2 3.52Å; F484-V510 HydrophobicContact CG-CB 4.35Å; F484-V510 HydrophobicContact CZ-CB 3.59Å; F484-V510 HydrophobicContact CZ-CG1 3.66Å; F484-V510 HydrophobicContact CZ-CG2 3.75Å; F484-V510 PolarHBondContact N-O 2.79Å; F484-V510 PolarHBondContact O-N 2.89Å; I486-V510 HydrophobicContact CD1-CG2 3.84Å; I486-V510 HydrophobicContact CG1-CG2 4.16Å; T508-V510 HydrophobicContact CG2-CG2 4.13Å; V510-L512 HydrophobicContact CG1-CD2 3.8Å; V510-L544 HydrophobicContact CG1-CD2 3.99Å; V510-L544 HydrophobicContact CG2-CD2 3.77Å; V510-M675 HydrophobicContact CG1-CB 4.21Å; V510-L677 HydrophobicContact CB-CD2 4.33Å; V510-L677 HydrophobicContact CG1-CD2 3.99Å; V510-L677 HydrophobicContact CG2-CD2 3.81Å
511	K	97.5	Very high	94	Very high	76 Å²	76	43.1 Å²	43.1	33%	0.33	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	138.9	167	-57.9	153.1	165.3	177.7	0	108.5	A483 M675 E676 L678	A483-K511 HydrophobicContact CB-CB 4.48Å; A483-K511 HydrophobicContact CB-CG 4.17Å; K511-M675 CarbonylContact O-C 3.57Å; K511-M675 VanDerWaalsContact O-CA 3.26Å; K511-M675 WeakPolarHBondContact O-CA 3.45Å; K511-E676 HydrophobicContact CB-CB 4.25Å; K511-E676 HydrophobicContact CD-CB 4.11Å; K511-E676 VanDerWaalsContact CD-CD 3.48Å; K511-E676 HydrophobicContact CD-CG 4.27Å; K511-E676 WeakPolarHBondContact CD-OE2 3.21Å; K511-E676 PolarHBondContact N-O 3.38Å; K511-E676 IonicContact NZ-OE1 3.38Å; K511-E676 PolarHBondContact NZ-OE1 2.92Å; K511-E676 IonicContact NZ-OE2 2.69Å; K511-E676 PolarHBondContact NZ-OE2 3.46Å; K511-E676 PolarHBondContact O-N 3.02Å; K511-L678 HydrophobicContact CD-CD1 4.36Å
512	L	96.8	Very high	93.8	Very high	6 Å²	6	44.2 Å²	44.2	3%	0.031	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	137.8	175.8	-56.4	-178.3	0	0	0	109.8	D481 F482 F484 V510 V515 I530 V547 V673 P674 M675	D481-L512 WeakPolarHBondContact CB-O 3.19Å; F482-L512 HydrophobicContact CD1-CD1 4.27Å; F482-L512 HydrophobicContact CE1-CD1 3.65Å; F482-L512 HydrophobicContact CE2-CD1 4.26Å; F482-L512 HydrophobicContact CZ-CD1 3.63Å; F482-L512 PolarHBondContact N-O 2.9Å; F482-L512 PolarHBondContact O-N 3.35Å; F484-L512 HydrophobicContact CE1-CD1 4.17Å; F484-L512 HydrophobicContact CE1-CD2 4.49Å; F484-L512 HydrophobicContact CE1-CG 4.41Å; V510-L512 HydrophobicContact CG1-CD2 3.8Å; L512-V515 HydrophobicContact CB-CG2 4.05Å; L512-I530 HydrophobicContact CD1-CG2 4.12Å; L512-V547 HydrophobicContact CD1-CG1 3.89Å; L512-V547 HydrophobicContact CD2-CB 4.17Å; L512-V547 HydrophobicContact CD2-CG1 4.02Å; L512-V547 HydrophobicContact CD2-CG2 3.95Å; L512-V673 HydrophobicContact CB-CG1 3.92Å; L512-V673 HydrophobicContact CD1-CG1 4.47Å; L512-V673 HydrophobicContact CD2-CG1 4.31Å; L512-V673 HydrophobicContact CG-CG1 4.46Å; L512-P674 WeakPolarHBondContact CA-O 3.08Å; L512-M675 HydrophobicContact CD2-CB 3.7Å
513	S	96.1	Very high	93.4	Very high	60 Å²	60	49 Å²	49	42%	0.42	27%	0.273	S	S	.	.			trans	-130.2	155.2	176.9	61.4	0	0	0	0	113.1	D481 V515 P674	D481-S513 VanDerWaalsContact OD2-CA 3.24Å; D481-S513 WeakPolarHBondContact OD2-CA 3.33Å; S513-V515 VanDerWaalsContact C-N 3.29Å; S513-V515 PolarHBondContact O-N 3.27Å; S513-P674 PolarHBondContact N-O 3Å; S513-P674 WeakPolarHBondContact O-CD 3.39Å
514	G	93.2	Very high	93.2	Very high	33 Å²	33	54.2 Å²	54.2	34%	0.34	29%	0.291	S	S	.	.	S	Bend	trans	76.8	9.7	-177	0	0	0	0	0	115	D481 H517 S518	D481-G514 VanDerWaalsContact CG-N 3.29Å; D481-G514 PolarHBondContact OD1-N 3.48Å; D481-G514 PolarHBondContact OD2-N 2.88Å; G514-H517 PolarHBondContact O-N 3.07Å; G514-S518 PolarHBondContact O-N 3.03Å; G514-S518 VanDerWaalsContact O-N 3.11Å
515	V	93.6	Very high	92.9	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-60.7	-48.7	175.8	-178.3	0	0	0	0	109.5	D481 L512 S513 H517 S518 F519 I530 V673	D481-V515 WeakPolarHBondContact OD1-CB 3.46Å; D481-V515 PolarHBondContact OD1-N 2.96Å; L512-V515 HydrophobicContact CB-CG2 4.05Å; S513-V515 VanDerWaalsContact C-N 3.29Å; S513-V515 PolarHBondContact O-N 3.27Å; V515-H517 VanDerWaalsContact C-N 3.28Å; V515-H517 PolarHBondContact O-N 2.83Å; V515-S518 PolarHBondContact O-N 3.43Å; V515-S518 VanDerWaalsContact O-N 3.11Å; V515-F519 HydrophobicContact CG1-CD2 4.04Å; V515-F519 HydrophobicContact CG1-CE2 3.94Å; V515-F519 WeakPolarHBondContact O-CD2 3.38Å; V515-F519 PolarHBondContact O-N 2.84Å; V515-F519 VanDerWaalsContact O-N 3.08Å; V515-I530 HydrophobicContact CG1-CD1 3.78Å; V515-I530 HydrophobicContact CG1-CG1 3.84Å; V515-V673 HydrophobicContact CG2-CG1 3.72Å
516	G	91.7	Very high	92.8	Very high	8 Å²	8	53.4 Å²	53.4	8%	0.082	28%	0.284	C	S	.	.	H	α-helix	trans	-57.4	-39.5	177.9	0	0	0	0	0	113.2	T479 D481 F519 Q520	T479-G516 VanDerWaalsContact O-CA 3.23Å; T479-G516 WeakPolarHBondContact O-CA 3.45Å; T479-G516 PolarHBondContact O-N 2.84Å; D481-G516 PolarHBondContact OD1-N 3.44Å; G516-F519 PolarHBondContact O-N 2.87Å; G516-Q520 WeakPolarHBondContact O-CB 3.36Å; G516-Q520 VanDerWaalsContact O-CG 3.22Å; G516-Q520 WeakPolarHBondContact O-CG 3.16Å; G516-Q520 PolarHBondContact O-N 3.08Å
517	H	92.7	Very high	92.8	Very high	128 Å²	128	53.6 Å²	53.6	59%	0.593	29%	0.289	S	S	*	.	H	α-helix	trans	-66.2	-41.4	176.7	177.2	-92.7	0	0	0	112.2	G514 V515 Q520 K521	G514-H517 PolarHBondContact O-N 3.07Å; V515-H517 VanDerWaalsContact C-N 3.28Å; V515-H517 PolarHBondContact O-N 2.83Å; H517-Q520 PolarHBondContact O-N 3.28Å; H517-K521 WeakPolarHBondContact O-CB 3.48Å; H517-K521 PolarHBondContact O-N 3Å
518	S	91.7	Very high	92.8	Very high	5 Å²	5	55.4 Å²	55.4	4%	0.035	30%	0.296	C	S	.	.	H	α-helix	trans	-64.2	-40.9	176.9	-171.4	0	0	0	0	112	G514 V515 K521 H522 S549 E671	G514-S518 PolarHBondContact O-N 3.03Å; G514-S518 VanDerWaalsContact O-N 3.11Å; V515-S518 PolarHBondContact O-N 3.43Å; V515-S518 VanDerWaalsContact O-N 3.11Å; S518-K521 PolarHBondContact O-N 2.79Å; S518-H522 PolarHBondContact O-CD2 3.35Å; S518-H522 PolarHBondContact O-N 3.39Å; S518-S549 PolarHBondContact OG-OG 2.9Å; S518-E671 WeakPolarHBondContact CB-OE2 3.43Å; S518-E671 PolarHBondContact OG-OE2 2.88Å
519	F	91.2	Very high	92.7	Very high	39 Å²	39	54.5 Å²	54.5	17%	0.171	29%	0.292	C	S	.	.	H	α-helix	trans	-66.9	-36.5	174	-84.1	-107.6	0	0	0	112.9	Y478 T479 V515 G516 K521 H522 T523 S527 I530 F551	Y478-F519 WeakPolarHBondContact O-CZ 3.36Å; T479-F519 HydrophobicContact CG2-CD1 3.92Å; T479-F519 HydrophobicContact CG2-CE1 3.93Å; V515-F519 HydrophobicContact CG1-CD2 4.04Å; V515-F519 HydrophobicContact CG1-CE2 3.94Å; V515-F519 WeakPolarHBondContact O-CD2 3.38Å; V515-F519 PolarHBondContact O-N 2.84Å; V515-F519 VanDerWaalsContact O-N 3.08Å; G516-F519 PolarHBondContact O-N 2.87Å; F519-K521 VanDerWaalsContact C-N 3.31Å; F519-K521 PolarHBondContact O-N 3.14Å; F519-H522 PolarHBondContact O-N 2.92Å; F519-T523 PolarHBondContact O-N 2.86Å; F519-S527 WeakPolarHBondContact CE1-OG 3.33Å; F519-S527 WeakPolarHBondContact CZ-OG 3.44Å; F519-I530 HydrophobicContact CE2-CD1 3.75Å; F519-I530 HydrophobicContact CE2-CG1 4.31Å; F519-I530 HydrophobicContact CZ-CD1 4Å; F519-F551 HydrophobicContact CD1-CE1 4.04Å; F519-F551 HydrophobicContact CD2-CE1 4.31Å; F519-F551 AromaticContact CD2-CZ 4Å; F519-F551 HydrophobicContact CD2-CZ 4Å; F519-F551 HydrophobicContact CE1-CE1 4.28Å; F519-F551 HydrophobicContact CE2-CZ 4.3Å; F519-F551 HydrophobicContact CG-CE1 4.08Å; F519-F551 HydrophobicContact CG-CZ 4.14Å
520	Q	91.9	Very high	92.6	Very high	142 Å²	142	53.3 Å²	53.3	66%	0.664	28%	0.284	S	S	*	.	H	α-helix	trans	-68.7	-27.7	174	-72.5	168.5	24.8	0	0	113.2	G516 H517	G516-Q520 WeakPolarHBondContact O-CB 3.36Å; G516-Q520 VanDerWaalsContact O-CG 3.22Å; G516-Q520 WeakPolarHBondContact O-CG 3.16Å; G516-Q520 PolarHBondContact O-N 3.08Å; H517-Q520 PolarHBondContact O-N 3.28Å
521	K	91.8	Very high	92.6	Very high	126 Å²	126	55.4 Å²	55.4	55%	0.548	29%	0.293	S	S	.	.	H	α-helix	trans	-76.6	-26.1	177.3	-174.4	178.8	172.5	-166.5	0	113.1	H517 S518 F519 E671	H517-K521 WeakPolarHBondContact O-CB 3.48Å; H517-K521 PolarHBondContact O-N 3Å; S518-K521 PolarHBondContact O-N 2.79Å; F519-K521 VanDerWaalsContact C-N 3.31Å; F519-K521 PolarHBondContact O-N 3.14Å; K521-E671 WeakPolarHBondContact CD-OE1 3.39Å; K521-E671 VanDerWaalsContact CE-OE1 3.25Å; K521-E671 WeakPolarHBondContact CE-OE1 3.48Å; K521-E671 IonicContact NZ-OE1 3.84Å; K521-E671 PolarHBondContact NZ-OE1 3.49Å
522	H	89.4	Confident	92.6	Very high	33 Å²	33	51.8 Å²	51.8	15%	0.153	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.4	40.3	-174.3	-63	-68.5	0	0	0	113	S518 F519 D524 A525 F551 E671	S518-H522 PolarHBondContact O-CD2 3.35Å; S518-H522 PolarHBondContact O-N 3.39Å; F519-H522 PolarHBondContact O-N 2.92Å; H522-D524 PolarHBondContact O-N 2.87Å; H522-D524 VanDerWaalsContact O-N 3.11Å; H522-A525 HydrophobicContact CB-CB 4.46Å; H522-A525 PolarHBondContact O-N 2.98Å; H522-F551 HydrophobicContact CB-CD1 3.87Å; H522-F551 HydrophobicContact CB-CD2 3.92Å; H522-F551 HydrophobicContact CB-CE1 3.96Å; H522-F551 HydrophobicContact CB-CE2 4.01Å; H522-F551 HydrophobicContact CB-CG 3.87Å; H522-F551 HydrophobicContact CB-CZ 4.04Å; H522-F551 AromaticContact CD2-CD2 3.99Å; H522-F551 AromaticContact CD2-CE2 3.75Å; H522-E671 IonicContact CD2-OE1 2.74Å; H522-E671 IonicContact CD2-OE2 2.9Å; H522-E671 IonicContact CE1-OE1 3.67Å; H522-E671 IonicContact NE2-OE1 2.81Å; H522-E671 PolarHBondContact NE2-OE1 3Å; H522-E671 IonicContact NE2-OE2 2.7Å; H522-E671 PolarHBondContact NE2-OE2 2.7Å
523	T	86.6	Confident	92.7	Very high	105 Å²	105	53.8 Å²	53.8	64%	0.644	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-29.9	177.6	48.5	0	0	0	0	113.8	F519 A525	F519-T523 PolarHBondContact O-N 2.86Å; T523-A525 VanDerWaalsContact C-N 3.29Å; T523-A525 PolarHBondContact O-N 3.29Å
524	D	86.8	Confident	92.8	Very high	149 Å²	149	51 Å²	51	80%	0.797	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	10	-171.5	-55.9	1.9	0	0	0	111.9	H522	H522-D524 PolarHBondContact O-N 2.87Å; H522-D524 VanDerWaalsContact O-N 3.11Å
525	A	87.8	Confident	92.9	Very high	20 Å²	20	50.6 Å²	50.6	17%	0.165	26%	0.257	C	S	.	.	S	Bend	trans	-127	145.7	-177.4	0	0	0	0	0	113	H522 T523 S527 F551 I669	H522-A525 HydrophobicContact CB-CB 4.46Å; H522-A525 PolarHBondContact O-N 2.98Å; T523-A525 VanDerWaalsContact C-N 3.29Å; T523-A525 PolarHBondContact O-N 3.29Å; A525-S527 PolarHBondContact O-N 3.38Å; A525-S527 VanDerWaalsContact O-N 3.12Å; A525-F551 HydrophobicContact CB-CB 3.69Å; A525-F551 HydrophobicContact CB-CG 4.46Å; A525-I669 HydrophobicContact CB-CD1 4.41Å
526	E	90.9	Very high	93.1	Very high	99 Å²	99	50.9 Å²	50.9	46%	0.463	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	102.2	-178.3	-165	-153.4	143.8	0	0	110.4	K528 F551 E552 R666	E526-K528 VanDerWaalsContact CD-CE 3.47Å; E526-K528 WeakPolarHBondContact O-CE 3.04Å; E526-K528 PolarHBondContact O-N 2.72Å; E526-K528 WeakPolarHBondContact OE1-CE 3.45Å; E526-K528 IonicContact OE1-NZ 2.72Å; E526-K528 PolarHBondContact OE1-NZ 3.02Å; E526-K528 IonicContact OE2-NZ 3.37Å; E526-K528 PolarHBondContact OE2-NZ 2.95Å; E526-F551 CarbonylContact O-C 3.51Å; E526-F551 WeakPolarHBondContact O-CA 3.46Å; E526-E552 PolarHBondContact N-O 3.38Å; E526-E552 PolarHBondContact O-N 3.45Å; E526-R666 IonicContact OE2-CZ 2.72Å; E526-R666 IonicContact OE2-NH1 2.81Å; E526-R666 PolarHBondContact OE2-NH1 2.95Å
527	S	92.4	Very high	93.3	Very high	45 Å²	45	52.3 Å²	52.3	32%	0.315	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	133	178.3	-175.8	0	0	0	0	112.5	F519 A525 G529	F519-S527 WeakPolarHBondContact CE1-OG 3.33Å; F519-S527 WeakPolarHBondContact CZ-OG 3.44Å; A525-S527 PolarHBondContact O-N 3.38Å; A525-S527 VanDerWaalsContact O-N 3.12Å; S527-G529 PolarHBondContact OG-N 3.38Å; S527-G529 VanDerWaalsContact OG-N 3.16Å
528	K	94.6	Very high	93.4	Very high	42 Å²	42	50.4 Å²	50.4	18%	0.183	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	16.7	171.7	-50.5	-60.3	168.5	153.6	0	111.9	T474 E526 V550 E552	T474-K528 WeakPolarHBondContact CG2-O 3.42Å; E526-K528 VanDerWaalsContact CD-CE 3.47Å; E526-K528 WeakPolarHBondContact O-CE 3.04Å; E526-K528 PolarHBondContact O-N 2.72Å; E526-K528 WeakPolarHBondContact OE1-CE 3.45Å; E526-K528 IonicContact OE1-NZ 2.72Å; E526-K528 PolarHBondContact OE1-NZ 3.02Å; E526-K528 IonicContact OE2-NZ 3.37Å; E526-K528 PolarHBondContact OE2-NZ 2.95Å; K528-V550 HydrophobicContact CB-CB 4.2Å; K528-V550 HydrophobicContact CB-CG1 3.95Å; K528-V550 HydrophobicContact CG-CG1 4.2Å; K528-V550 PolarHBondContact N-O 3.03Å; K528-E552 VanDerWaalsContact CE-OE1 3.27Å; K528-E552 WeakPolarHBondContact CE-OE1 3.45Å; K528-E552 VanDerWaalsContact CE-OE2 3.3Å; K528-E552 WeakPolarHBondContact CE-OE2 3.47Å; K528-E552 HydrophobicContact CG-CG 4.31Å; K528-E552 IonicContact NZ-OE1 3.83Å; K528-E552 PolarHBondContact NZ-OE1 3.13Å; K528-E552 IonicContact NZ-OE2 3.14Å; K528-E552 PolarHBondContact NZ-OE2 3.24Å
529	G	94.4	Very high	93.7	Very high	3 Å²	3	50.5 Å²	50.5	3%	0.031	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	75.1	176.6	-179.9	0	0	0	0	0	114.2	S527 V550	S527-G529 PolarHBondContact OG-N 3.38Å; S527-G529 VanDerWaalsContact OG-N 3.16Å; G529-V550 PolarHBondContact O-N 3.25Å
530	I	96.9	Very high	94	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	137.6	176.1	-54.2	81.6	0	0	0	108.8	T474 F475 Y478 F482 L512 V515 F519 V547 E548 V673	T474-I530 CarbonylContact C-O 3.56Å; T474-I530 WeakPolarHBondContact CA-O 3.48Å; F475-I530 HydrophobicContact CB-CB 4.37Å; F475-I530 PolarHBondContact N-O 2.61Å; F475-I530 PolarHBondContact O-N 3.13Å; Y478-I530 WeakPolarHBondContact O-CD1 3.46Å; F482-I530 HydrophobicContact CE1-CB 4.49Å; F482-I530 HydrophobicContact CE1-CD1 4.18Å; F482-I530 HydrophobicContact CE1-CG1 4.28Å; L512-I530 HydrophobicContact CD1-CG2 4.12Å; V515-I530 HydrophobicContact CG1-CD1 3.78Å; V515-I530 HydrophobicContact CG1-CG1 3.84Å; F519-I530 HydrophobicContact CE2-CD1 3.75Å; F519-I530 HydrophobicContact CE2-CG1 4.31Å; F519-I530 HydrophobicContact CZ-CD1 4Å; I530-V547 HydrophobicContact CG2-CG1 3.33Å; I530-E548 CarbonylContact C-O 3.55Å; I530-E548 WeakPolarHBondContact CA-O 3.39Å; I530-V673 HydrophobicContact CG2-CG2 4.37Å
531	K	97.2	Very high	94.2	Very high	44 Å²	44	42.7 Å²	42.7	19%	0.191	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	115.9	-178.7	-68.7	178.2	-166	174.2	0	110.7	V472 I473 T474 H533 V547 E548 V550	V472-K531 HydrophobicContact CG1-CB 3.81Å; V472-K531 HydrophobicContact CG1-CD 4.29Å; V472-K531 HydrophobicContact CG1-CG 4.14Å; I473-K531 WeakPolarHBondContact O-CA 3.46Å; T474-K531 HydrophobicContact CG2-CG 3.81Å; K531-H533 PolarHBondContact O-CD2 3.13Å; K531-V547 CarbonylContact O-C 3.55Å; K531-V547 VanDerWaalsContact O-CA 3.31Å; K531-V547 WeakPolarHBondContact O-CA 3.41Å; K531-E548 HydrophobicContact CB-CG 3.88Å; K531-E548 PolarHBondContact N-O 3.03Å; K531-E548 PolarHBondContact O-N 3.28Å; K531-V550 HydrophobicContact CD-CG2 3.8Å; K531-V550 HydrophobicContact CG-CG2 4.39Å
532	A	97.9	Very high	94.5	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	126.4	168.3	0	0	0	0	0	109.9	V472 I473 F475 F484 F534 L544 V547	V472-A532 WeakPolarHBondContact CA-O 3.43Å; I473-A532 PolarHBondContact N-O 3.38Å; I473-A532 PolarHBondContact O-N 3.04Å; F475-A532 HydrophobicContact CE2-CB 3.95Å; F484-A532 HydrophobicContact CE1-CB 4.46Å; F484-A532 HydrophobicContact CZ-CB 4.08Å; A532-F534 HydrophobicContact CB-CD2 4.38Å; A532-F534 HydrophobicContact CB-CE2 3.51Å; A532-F534 HydrophobicContact CB-CZ 3.76Å; A532-L544 HydrophobicContact CB-CD1 4.02Å; A532-V547 HydrophobicContact CB-CG2 3.99Å
533	H	97.8	Very high	94.8	Very high	49 Å²	49	40.2 Å²	40.2	23%	0.227	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	111.7	-178.3	-67	-105.4	0	0	0	110	V472 K531 L544 D545 R546 E548	V472-H533 WeakPolarHBondContact CG2-CE1 3.3Å; K531-H533 PolarHBondContact O-CD2 3.13Å; H533-L544 CarbonylContact O-C 3.59Å; H533-L544 WeakPolarHBondContact O-CD1 3.25Å; H533-D545 HydrophobicContact CB-CB 4.32Å; H533-D545 PolarHBondContact O-N 3.42Å; H533-R546 HydrophobicContact CB-CG 4.33Å; H533-R546 PolarHBondContact N-O 2.94Å; H533-E548 IonicContact NE2-OE1 2.75Å; H533-E548 IonicContact NE2-OE2 2.65Å
534	F	97.8	Very high	95.3	Very high	1 Å²	1	36.4 Å²	36.4	0%	0.004	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	144.7	179.4	-58.2	-88.3	0	0	0	110.9	V438 L460 F461 R470 K471 I473 F484 I486 A532 L542 L543 L544	V438-F534 HydrophobicContact CG2-CE1 4.36Å; V438-F534 HydrophobicContact CG2-CE2 4.11Å; V438-F534 HydrophobicContact CG2-CZ 3.72Å; L460-F534 HydrophobicContact CD1-CB 4.25Å; L460-F534 HydrophobicContact CD1-CD1 3.74Å; L460-F534 HydrophobicContact CD1-CD2 4.03Å; L460-F534 HydrophobicContact CD1-CE1 4.03Å; L460-F534 HydrophobicContact CD1-CE2 4.3Å; L460-F534 HydrophobicContact CD1-CG 3.73Å; L460-F534 HydrophobicContact CD1-CZ 4.3Å; L460-F534 HydrophobicContact CD2-CB 4.39Å; L460-F534 HydrophobicContact CD2-CD2 3.46Å; L460-F534 VanDerWaalsContact CD2-CD2 3.46Å; L460-F534 HydrophobicContact CD2-CE2 3.81Å; L460-F534 HydrophobicContact CD2-CG 3.93Å; L460-F534 HydrophobicContact CG-CD2 4.43Å; F461-F534 HydrophobicContact CE2-CB 4.44Å; R470-F534 CarbonylContact C-O 3.53Å; R470-F534 VanDerWaalsContact CA-O 3.31Å; R470-F534 WeakPolarHBondContact CA-O 3.47Å; K471-F534 HydrophobicContact CB-CB 4.4Å; K471-F534 PolarHBondContact N-O 3.46Å; K471-F534 PolarHBondContact O-N 2.88Å; I473-F534 HydrophobicContact CB-CE2 4.12Å; I473-F534 HydrophobicContact CG1-CD2 4.3Å; I473-F534 HydrophobicContact CG1-CE2 3.91Å; F484-F534 HydrophobicContact CE2-CE1 4.38Å; F484-F534 AromaticContact CE2-CZ 3.85Å; F484-F534 HydrophobicContact CE2-CZ 3.85Å; F484-F534 HydrophobicContact CZ-CZ 4.08Å; I486-F534 HydrophobicContact CD1-CE1 3.77Å; I486-F534 HydrophobicContact CG1-CE1 4.3Å; A532-F534 HydrophobicContact CB-CD2 4.38Å; A532-F534 HydrophobicContact CB-CE2 3.51Å; A532-F534 HydrophobicContact CB-CZ 3.76Å; F534-L542 HydrophobicContact CB-CD1 4.5Å; F534-L542 HydrophobicContact CD1-CD1 4.49Å; F534-L543 CarbonylContact C-O 3.53Å; F534-L543 WeakPolarHBondContact CA-O 3.36Å; F534-L544 HydrophobicContact CD1-CB 4.27Å; F534-L544 HydrophobicContact CD1-CD1 4.07Å; F534-L544 HydrophobicContact CE1-CB 4.3Å; F534-L544 HydrophobicContact CE1-CD1 3.85Å; F534-L544 HydrophobicContact CE1-CD2 4.31Å; F534-L544 HydrophobicContact CE1-CG 4.38Å; F534-L544 HydrophobicContact CZ-CD1 4.14Å
535	N	96.7	Very high	95.7	Very high	25 Å²	25	32.4 Å²	32.4	13%	0.134	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	124.7	175.2	-175.2	40.9	0	0	0	109.1	R470 L543 D545	R470-N535 HydrophobicContact CG-CB 4.03Å; R470-N535 WeakPolarHBondContact CG-OD1 3.19Å; N535-L543 HydrophobicContact CB-CB 4.37Å; N535-L543 PolarHBondContact N-O 3.34Å; N535-L543 PolarHBondContact O-N 2.96Å; N535-D545 VanDerWaalsContact CB-OD1 3.25Å; N535-D545 WeakPolarHBondContact CB-OD1 3.4Å
536	M	96.4	Very high	96.1	Very high	6 Å²	6	36.4 Å²	36.4	3%	0.03	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	111.3	160.2	-174.4	64.8	67.5	0	0	106.1	I436 F461 Y467 P468 Q469 G540 L542	I436-M536 HydrophobicContact CD1-CE 3.74Å; F461-M536 HydrophobicContact CD1-CB 4.12Å; F461-M536 HydrophobicContact CD2-CB 4.5Å; F461-M536 HydrophobicContact CD2-CE 3.86Å; F461-M536 HydrophobicContact CE1-CB 3.69Å; F461-M536 HydrophobicContact CE2-CB 4.12Å; F461-M536 HydrophobicContact CE2-CE 4.27Å; F461-M536 HydrophobicContact CG-CE 4.2Å; F461-M536 HydrophobicContact CZ-CB 3.7Å; Y467-M536 HydrophobicContact CD2-CG 4.49Å; Y467-M536 HydrophobicContact CG-CG 4.11Å; P468-M536 CarbonylContact C-O 3.57Å; P468-M536 VanDerWaalsContact CA-O 3.24Å; P468-M536 WeakPolarHBondContact CA-O 3.43Å; P468-M536 WeakPolarHBondContact CB-O 3.5Å; Q469-M536 PolarHBondContact N-O 3.37Å; Q469-M536 PolarHBondContact O-N 3.49Å; M536-G540 VanDerWaalsContact SD-O 3.37Å; M536-L542 HydrophobicContact CE-CB 4.33Å; M536-L542 HydrophobicContact CE-CD1 4.38Å
537	D	96.3	Very high	96.4	Very high	38 Å²	38	31.8 Å²	31.8	20%	0.203	16%	0.159	C	C	.	.			trans	-75.4	-174.9	-173.2	90.3	-35.3	0	0	0	112.6	Y467 S539 G540 V541	Y467-D537 VanDerWaalsContact CD2-O 3.28Å; Y467-D537 WeakPolarHBondContact CD2-O 3.35Å; D537-S539 PolarHBondContact O-N 3.19Å; D537-S539 VanDerWaalsContact OD1-CA 3.31Å; D537-S539 WeakPolarHBondContact OD1-CA 3.46Å; D537-S539 VanDerWaalsContact OD1-CB 3.31Å; D537-S539 WeakPolarHBondContact OD1-CB 3.49Å; D537-S539 PolarHBondContact OD1-N 3.23Å; D537-S539 VanDerWaalsContact OD2-CB 3.29Å; D537-S539 WeakPolarHBondContact OD2-CB 3.31Å; D537-S539 PolarHBondContact OD2-N 3.27Å; D537-S539 PolarHBondContact OD2-OG 3.28Å; D537-G540 PolarHBondContact O-N 2.84Å; D537-G540 PolarHBondContact OD1-N 2.78Å; D537-V541 PolarHBondContact N-O 3.4Å; D537-V541 WeakPolarHBondContact OD1-CA 3.4Å; D537-V541 WeakPolarHBondContact OD1-CB 3.42Å; D537-V541 PolarHBondContact OD1-N 3.17Å
538	E	95.7	Very high	96.6	Very high	87 Å²	87	29.8 Å²	29.8	41%	0.407	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-21	177.2	-67.5	-177.8	168.7	0	0	112.8	Q194 L417 P468 G540	Q194-E538 HydrophobicContact CG-CB 4.05Å; Q194-E538 WeakPolarHBondContact CG-O 3.47Å; Q194-E538 PolarHBondContact NE2-O 3.38Å; L417-E538 WeakPolarHBondContact CD2-OE2 3.3Å; P468-E538 HydrophobicContact CB-CG 4.01Å; P468-E538 HydrophobicContact CG-CG 3.81Å; E538-G540 VanDerWaalsContact C-N 3.34Å
539	S	97.8	Very high	96.7	Very high	8 Å²	8	27.8 Å²	27.8	6%	0.056	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-5.3	176.5	-52.9	0	0	0	0	114	R178 L195 D537 V541	R178-S539 PolarHBondContact NH1-O 3.43Å; L195-S539 PolarHBondContact N-OG 2.71Å; L195-S539 VanDerWaalsContact N-OG 3.15Å; L195-S539 WeakPolarHBondContact O-CA 3.48Å; D537-S539 PolarHBondContact O-N 3.19Å; D537-S539 VanDerWaalsContact OD1-CA 3.31Å; D537-S539 WeakPolarHBondContact OD1-CA 3.46Å; D537-S539 VanDerWaalsContact OD1-CB 3.31Å; D537-S539 WeakPolarHBondContact OD1-CB 3.49Å; D537-S539 PolarHBondContact OD1-N 3.23Å; D537-S539 VanDerWaalsContact OD2-CB 3.29Å; D537-S539 WeakPolarHBondContact OD2-CB 3.31Å; D537-S539 PolarHBondContact OD2-N 3.27Å; D537-S539 PolarHBondContact OD2-OG 3.28Å; S539-V541 VanDerWaalsContact C-N 3.32Å
540	G	96.7	Very high	96.8	Very high	5 Å²	5	27.7 Å²	27.7	5%	0.052	14%	0.135	C	C	.	.	S	Bend	trans	72.6	26	-171.2	0	0	0	0	0	113	Q175 M536 D537 E538	Q175-G540 PolarHBondContact NE2-O 3.17Å; M536-G540 VanDerWaalsContact SD-O 3.37Å; D537-G540 PolarHBondContact O-N 2.84Å; D537-G540 PolarHBondContact OD1-N 2.78Å; E538-G540 VanDerWaalsContact C-N 3.34Å
541	V	97.3	Very high	96.7	Very high	11 Å²	11	27.8 Å²	27.8	7%	0.067	14%	0.135	C	C	.	.			trans	-98.8	135.3	175.6	-179.8	0	0	0	0	109.8	R178 L182 D537 S539	R178-V541 HydrophobicContact CB-CG2 4.13Å; L182-V541 HydrophobicContact CD1-CG2 4.29Å; D537-V541 PolarHBondContact N-O 3.4Å; D537-V541 WeakPolarHBondContact OD1-CA 3.4Å; D537-V541 WeakPolarHBondContact OD1-CB 3.42Å; D537-V541 PolarHBondContact OD1-N 3.17Å; S539-V541 VanDerWaalsContact C-N 3.32Å
542	L	97.1	Very high	96.4	Very high	27 Å²	27	28.4 Å²	28.4	14%	0.141	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	127.2	177.1	-179.3	72.8	0	0	0	111.1	I436 F461 I486 L507 F534 M536	I436-L542 HydrophobicContact CD1-CB 4.26Å; I436-L542 HydrophobicContact CD1-CD2 4.14Å; I436-L542 HydrophobicContact CG2-CD2 3.95Å; F461-L542 HydrophobicContact CD2-CD1 4.17Å; F461-L542 HydrophobicContact CE2-CD1 3.57Å; I486-L542 HydrophobicContact CG2-CD2 3.58Å; L507-L542 HydrophobicContact CD1-CD2 4.28Å; F534-L542 HydrophobicContact CB-CD1 4.5Å; F534-L542 HydrophobicContact CD1-CD1 4.49Å; M536-L542 HydrophobicContact CE-CB 4.33Å; M536-L542 HydrophobicContact CE-CD1 4.38Å
543	L	96.1	Very high	95.9	Very high	80 Å²	80	30.5 Å²	30.5	42%	0.419	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	146.9	170.2	-55.5	174.6	0	0	0	110.3	F534 N535	F534-L543 CarbonylContact C-O 3.53Å; F534-L543 WeakPolarHBondContact CA-O 3.36Å; N535-L543 HydrophobicContact CB-CB 4.37Å; N535-L543 PolarHBondContact N-O 3.34Å; N535-L543 PolarHBondContact O-N 2.96Å
544	L	96.8	Very high	95	Very high	26 Å²	26	31.9 Å²	31.9	14%	0.136	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	91.1	164.5	171.5	51	0	0	0	106.8	F484 V510 A532 H533 F534 R546 V547 M675 L677	F484-L544 HydrophobicContact CZ-CD2 4.21Å; V510-L544 HydrophobicContact CG1-CD2 3.99Å; V510-L544 HydrophobicContact CG2-CD2 3.77Å; A532-L544 HydrophobicContact CB-CD1 4.02Å; H533-L544 CarbonylContact O-C 3.59Å; H533-L544 WeakPolarHBondContact O-CD1 3.25Å; F534-L544 HydrophobicContact CD1-CB 4.27Å; F534-L544 HydrophobicContact CD1-CD1 4.07Å; F534-L544 HydrophobicContact CE1-CB 4.3Å; F534-L544 HydrophobicContact CE1-CD1 3.85Å; F534-L544 HydrophobicContact CE1-CD2 4.31Å; F534-L544 HydrophobicContact CE1-CG 4.38Å; F534-L544 HydrophobicContact CZ-CD1 4.14Å; L544-R546 VanDerWaalsContact C-N 3.34Å; L544-R546 PolarHBondContact O-N 3.11Å; L544-V547 HydrophobicContact CD1-CG2 4Å; L544-V547 HydrophobicContact CD2-CG2 4.32Å; L544-V547 HydrophobicContact CG-CG2 4.45Å; L544-M675 HydrophobicContact CD2-SD 3.79Å; L544-M675 HydrophobicContact CG-CE 4.28Å; L544-M675 HydrophobicContact CG-SD 3.94Å; L544-L677 HydrophobicContact CD2-CD2 4.16Å
545	D	95.6	Very high	93.6	Very high	65 Å²	65	35.3 Å²	35.3	35%	0.348	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	-44.9	-170.8	-69.2	-1.7	0	0	0	111.5	R470 H533 N535	R470-D545 IonicContact CZ-OD2 3.15Å; R470-D545 IonicContact NE-OD2 3.1Å; R470-D545 PolarHBondContact NE-OD2 3.39Å; R470-D545 IonicContact NH2-OD2 2.66Å; H533-D545 HydrophobicContact CB-CB 4.32Å; H533-D545 PolarHBondContact O-N 3.42Å; N535-D545 VanDerWaalsContact CB-OD1 3.25Å; N535-D545 WeakPolarHBondContact CB-OD1 3.4Å
546	R	96	Very high	91.6	Very high	103 Å²	103	41.4 Å²	41.4	39%	0.389	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.9	173.6	172.3	63.3	163.2	-175.9	-88.6	3.8	112.2	H533 L544 E548 D672	H533-R546 HydrophobicContact CB-CG 4.33Å; H533-R546 PolarHBondContact N-O 2.94Å; L544-R546 VanDerWaalsContact C-N 3.34Å; L544-R546 PolarHBondContact O-N 3.11Å; R546-E548 IonicContact CZ-OE2 3.76Å; R546-E548 VanDerWaalsContact CZ-OE2 3.29Å; R546-E548 IonicContact NE-OE2 2.86Å; R546-E548 PolarHBondContact NE-OE2 3.45Å; R546-E548 IonicContact NH2-OE2 3.38Å; R546-E548 PolarHBondContact NH2-OE2 3.11Å; R546-D672 VanDerWaalsContact CD-OD1 3.24Å; R546-D672 WeakPolarHBondContact CD-OD1 3.36Å; R546-D672 IonicContact NE-OD1 3.24Å
547	V	97.7	Very high	89.2	Confident	3 Å²	3	49.1 Å²	49.1	2%	0.018	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	127.8	166	-175.5	0	0	0	0	109	L512 I530 K531 A532 L544 V673 M675	L512-V547 HydrophobicContact CD1-CG1 3.89Å; L512-V547 HydrophobicContact CD2-CB 4.17Å; L512-V547 HydrophobicContact CD2-CG1 4.02Å; L512-V547 HydrophobicContact CD2-CG2 3.95Å; I530-V547 HydrophobicContact CG2-CG1 3.33Å; K531-V547 CarbonylContact O-C 3.55Å; K531-V547 VanDerWaalsContact O-CA 3.31Å; K531-V547 WeakPolarHBondContact O-CA 3.41Å; A532-V547 HydrophobicContact CB-CG2 3.99Å; L544-V547 HydrophobicContact CD1-CG2 4Å; L544-V547 HydrophobicContact CD2-CG2 4.32Å; L544-V547 HydrophobicContact CG-CG2 4.45Å; V547-V673 HydrophobicContact CB-CB 4.35Å; V547-V673 HydrophobicContact CG1-CB 4.1Å; V547-V673 PolarHBondContact O-N 3.39Å; V547-M675 HydrophobicContact CG2-SD 3.84Å
548	E	97	Very high	86.6	Confident	2 Å²	2	56 Å²	56	1%	0.009	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	137.4	-180	62.6	179.6	-131.9	0	0	111.5	I530 K531 H533 R546 V550 K668 S670 E671	I530-E548 CarbonylContact C-O 3.55Å; I530-E548 WeakPolarHBondContact CA-O 3.39Å; K531-E548 HydrophobicContact CB-CG 3.88Å; K531-E548 PolarHBondContact N-O 3.03Å; K531-E548 PolarHBondContact O-N 3.28Å; H533-E548 IonicContact NE2-OE1 2.75Å; H533-E548 IonicContact NE2-OE2 2.65Å; R546-E548 IonicContact CZ-OE2 3.76Å; R546-E548 VanDerWaalsContact CZ-OE2 3.29Å; R546-E548 IonicContact NE-OE2 2.86Å; R546-E548 PolarHBondContact NE-OE2 3.45Å; R546-E548 IonicContact NH2-OE2 3.38Å; R546-E548 PolarHBondContact NH2-OE2 3.11Å; E548-V550 HydrophobicContact CG-CG2 3.86Å; E548-V550 WeakPolarHBondContact OE1-CG2 3.44Å; E548-K668 IonicContact OE1-NZ 2.91Å; E548-K668 PolarHBondContact OE1-NZ 3.21Å; E548-K668 IonicContact OE2-NZ 3.78Å; E548-S670 PolarHBondContact OE1-OG 2.81Å; E548-E671 CarbonylContact C-O 3.55Å; E548-E671 WeakPolarHBondContact CA-O 3.24Å
549	S	96.4	Very high	83.9	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	144.3	159	66.5	0	0	0	0	108.5	S518 S670 E671	S518-S549 PolarHBondContact OG-OG 2.9Å; S549-S670 WeakPolarHBondContact O-CA 3.32Å; S549-E671 PolarHBondContact N-O 2.94Å; S549-E671 PolarHBondContact O-N 3.1Å; S549-E671 VanDerWaalsContact O-N 3.08Å; S549-E671 PolarHBondContact OG-O 3.28Å
550	V	95.7	Very high	81.2	Confident	1 Å²	1	69.6 Å²	69.6	1%	0.006	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	135.1	-179.1	179.6	0	0	0	0	111.2	K528 G529 K531 E548 K668 I669	K528-V550 HydrophobicContact CB-CB 4.2Å; K528-V550 HydrophobicContact CB-CG1 3.95Å; K528-V550 HydrophobicContact CG-CG1 4.2Å; K528-V550 PolarHBondContact N-O 3.03Å; G529-V550 PolarHBondContact O-N 3.25Å; K531-V550 HydrophobicContact CD-CG2 3.8Å; K531-V550 HydrophobicContact CG-CG2 4.39Å; E548-V550 HydrophobicContact CG-CG2 3.86Å; E548-V550 WeakPolarHBondContact OE1-CG2 3.44Å; V550-K668 HydrophobicContact CG1-CD 4.25Å; V550-K668 VanDerWaalsContact CG1-CE 3.41Å; V550-K668 HydrophobicContact CG1-CG 3.79Å; V550-I669 WeakPolarHBondContact CA-O 3.34Å
551	F	94.1	Very high	78.7	Confident	2 Å²	2	78.3 Å²	78.3	1%	0.009	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	154	174.5	-46.5	-99.5	0	0	0	110	F519 H522 A525 E526 I669	F519-F551 HydrophobicContact CD1-CE1 4.04Å; F519-F551 HydrophobicContact CD2-CE1 4.31Å; F519-F551 AromaticContact CD2-CZ 4Å; F519-F551 HydrophobicContact CD2-CZ 4Å; F519-F551 HydrophobicContact CE1-CE1 4.28Å; F519-F551 HydrophobicContact CE2-CZ 4.3Å; F519-F551 HydrophobicContact CG-CE1 4.08Å; F519-F551 HydrophobicContact CG-CZ 4.14Å; H522-F551 HydrophobicContact CB-CD1 3.87Å; H522-F551 HydrophobicContact CB-CD2 3.92Å; H522-F551 HydrophobicContact CB-CE1 3.96Å; H522-F551 HydrophobicContact CB-CE2 4.01Å; H522-F551 HydrophobicContact CB-CG 3.87Å; H522-F551 HydrophobicContact CB-CZ 4.04Å; H522-F551 AromaticContact CD2-CD2 3.99Å; H522-F551 AromaticContact CD2-CE2 3.75Å; A525-F551 HydrophobicContact CB-CB 3.69Å; A525-F551 HydrophobicContact CB-CG 4.46Å; E526-F551 CarbonylContact O-C 3.51Å; E526-F551 WeakPolarHBondContact O-CA 3.46Å; F551-I669 HydrophobicContact CB-CB 4.3Å; F551-I669 HydrophobicContact CD2-CG2 4.38Å; F551-I669 PolarHBondContact N-O 3.48Å; F551-I669 PolarHBondContact O-N 3.25Å
552	E	92.6	Very high	76	Confident	57 Å²	57	80.8 Å²	80.8	27%	0.266	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	128	167.5	-82.4	170.9	-146.9	0	0	109.9	E526 K528 R666 T667	E526-E552 PolarHBondContact N-O 3.38Å; E526-E552 PolarHBondContact O-N 3.45Å; K528-E552 VanDerWaalsContact CE-OE1 3.27Å; K528-E552 WeakPolarHBondContact CE-OE1 3.45Å; K528-E552 VanDerWaalsContact CE-OE2 3.3Å; K528-E552 WeakPolarHBondContact CE-OE2 3.47Å; K528-E552 HydrophobicContact CG-CG 4.31Å; K528-E552 IonicContact NZ-OE1 3.83Å; K528-E552 PolarHBondContact NZ-OE1 3.13Å; K528-E552 IonicContact NZ-OE2 3.14Å; K528-E552 PolarHBondContact NZ-OE2 3.24Å; E552-R666 WeakPolarHBondContact OE2-CD 3.2Å; E552-R666 IonicContact OE2-CZ 3.67Å; E552-R666 IonicContact OE2-NE 3.57Å; E552-R666 IonicContact OE2-NH1 3.59Å; E552-R666 PolarHBondContact OE2-NH1 3.45Å; E552-T667 WeakPolarHBondContact CA-O 3.11Å
553	T	87.4	Confident	73.8	Confident	44 Å²	44	84.8 Å²	84.8	27%	0.27	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	147.6	168.6	-174.4	0	0	0	0	110.7	V555 T667 I669	T553-V555 HydrophobicContact CG2-CG2 4.33Å; T553-T667 PolarHBondContact N-O 3.26Å; T553-T667 PolarHBondContact O-N 2.99Å; T553-I669 HydrophobicContact CG2-CD1 3.99Å; T553-I669 HydrophobicContact CG2-CG1 4.42Å
554	I	78.6	Confident	71.6	Confident	79 Å²	79	87.2 Å²	87.2	41%	0.405	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	107.3	171.3	-60	176.3	0	0	0	106.5	E556 Q664	I554-E556 PolarHBondContact O-N 3.43Å; I554-Q664 HydrophobicContact CG2-CB 4.18Å; I554-Q664 HydrophobicContact CG2-CG 4.43Å
555	V	68.3	Low	69.3	Low	73 Å²	73	90.9 Å²	90.9	44%	0.442	46%	0.455	S	S	.	.			trans	-78.1	109.3	172	180	0	0	0	0	107.7	T553 E557 T667	T553-V555 HydrophobicContact CG2-CG2 4.33Å; V555-E557 PolarHBondContact O-N 3.15Å; V555-T667 WeakPolarHBondContact CG2-OG1 3.47Å
556	E	54.1	Low	66.9	Low	153 Å²	153	96.1 Å²	96.1	72%	0.715	48%	0.475	S	S	*	.			trans	-66.1	121.3	156.6	-67	-166	141.7	0	0	108	I554 K558	I554-E556 PolarHBondContact O-N 3.43Å; E556-K558 VanDerWaalsContact C-N 3.27Å; E556-K558 PolarHBondContact O-N 3.33Å
557	E	45.1	Very low	64.5	Low	168 Å²	168	97 Å²	97	79%	0.785	49%	0.486	S	S	*	.			trans	-65.9	91.6	168	-71.9	179.8	158.4	0	0	108.1	V555 E559	V555-E557 PolarHBondContact O-N 3.15Å; E557-E559 PolarHBondContact O-N 3.26Å
558	K	41.8	Very low	62.1	Low	183 Å²	183	99.3 Å²	99.3	80%	0.796	51%	0.511	S	S	*	.			trans	-58.3	134.3	157.8	-73.5	-178.9	178.3	174.3	0	107.5	E556 E560	E556-K558 VanDerWaalsContact C-N 3.27Å; E556-K558 PolarHBondContact O-N 3.33Å; K558-E560 PolarHBondContact O-N 3.3Å
559	E	40.5	Very low	59.6	Low	200 Å²	200	105.8 Å²	105.8	94%	0.935	55%	0.546	S	S	*	.			trans	-70.7	77.8	174.8	-65	-177.4	132.9	0	0	110.1	E557	E557-E559 PolarHBondContact O-N 3.26Å
560	E	40.1	Very low	57.2	Low	179 Å²	179	110.2 Å²	110.2	84%	0.836	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-69.4	128.6	158.9	-67.4	-163.8	164.5	0	0	108.6	K558 S562	K558-E560 PolarHBondContact O-N 3.3Å; E560-S562 PolarHBondContact O-N 2.95Å
561	E	43.4	Very low	54.7	Low	188 Å²	188	116.7 Å²	116.7	88%	0.879	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-56.5	128.5	-172.4	-67.4	-176.1	116.5	0	0	111.9	T563	E561-T563 PolarHBondContact O-N 2.7Å
562	S	42.5	Very low	52.1	Low	63 Å²	63	121.5 Å²	121.5	44%	0.441	64%	0.639	S	S	.	*	P	Polyproline II helix	trans	-53.2	129.3	-170.5	-172.3	0	0	0	0	113	E560 L564 T565	E560-S562 PolarHBondContact O-N 2.95Å; S562-L564 PolarHBondContact O-N 3.39Å; S562-L564 VanDerWaalsContact O-N 3.11Å; S562-T565 WeakPolarHBondContact O-CB 3.3Å; S562-T565 PolarHBondContact O-N 3.5Å; S562-T565 PolarHBondContact O-OG1 3.2Å
563	T	49.8	Very low	49.8	Very low	112 Å²	112	124 Å²	124	69%	0.687	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-18.4	176.9	48.5	0	0	0	0	113.4	E561 T565 K566 L567	E561-T563 PolarHBondContact O-N 2.7Å; T563-T565 PolarHBondContact O-N 2.7Å; T563-K566 PolarHBondContact O-N 2.88Å; T563-L567 PolarHBondContact O-N 2.92Å
564	L	49.1	Very low	47.6	Very low	131 Å²	131	129.3 Å²	129.3	69%	0.686	69%	0.685	S	S	*	*	H	α-helix	trans	-55.7	-31.6	169.3	-73.8	163.3	0	0	0	112.3	S562 K566 L567 G568	S562-L564 PolarHBondContact O-N 3.39Å; S562-L564 VanDerWaalsContact O-N 3.11Å; L564-K566 PolarHBondContact O-N 3.3Å; L564-L567 PolarHBondContact O-N 3.19Å; L564-G568 PolarHBondContact O-N 3.41Å
565	T	48.6	Very low	45.8	Very low	103 Å²	103	135.6 Å²	135.6	63%	0.632	71%	0.71	S	S	*	*	H	α-helix	trans	-68.8	-17.4	177.5	-28.6	0	0	0	0	113.1	S562 T563	S562-T565 WeakPolarHBondContact O-CB 3.3Å; S562-T565 PolarHBondContact O-N 3.5Å; S562-T565 PolarHBondContact O-OG1 3.2Å; T563-T565 PolarHBondContact O-N 2.7Å
566	K	46.4	Very low	44	Very low	175 Å²	175	135.9 Å²	135.9	76%	0.761	73%	0.727	S	S	*	*	H	α-helix	trans	-94	-33.6	174	-74	178.3	179.2	168.8	0	113.1	T563 L564	T563-K566 PolarHBondContact O-N 2.88Å; L564-K566 PolarHBondContact O-N 3.3Å
567	L	44.7	Very low	42.8	Very low	121 Å²	121	132.8 Å²	132.8	63%	0.634	74%	0.736	S	S	*	*	H	α-helix	trans	-68.9	-31.5	174.9	-104.2	68.8	0	0	0	113.2	T563 L564 N569 T570	T563-L567 PolarHBondContact O-N 2.92Å; L564-L567 PolarHBondContact O-N 3.19Å; L567-N569 PolarHBondContact O-N 2.99Å; L567-N569 VanDerWaalsContact O-N 3.12Å; L567-T570 PolarHBondContact O-N 3.22Å
568	G	47.5	Very low	42	Very low	52 Å²	52	128.1 Å²	128.1	54%	0.536	73%	0.734	S	S	.	*	T	Hydrogen-bonded Turn	trans	-62.1	-18.5	-176.9	0	0	0	0	0	115.9	L564	L564-G568 PolarHBondContact O-N 3.41Å
569	N	45.8	Very low	41.4	Very low	138 Å²	138	124.9 Å²	124.9	74%	0.738	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.6	1.6	-175	-80.3	-32.5	0	0	0	114.9	L567	L567-N569 PolarHBondContact O-N 2.99Å; L567-N569 VanDerWaalsContact O-N 3.12Å
570	T	45.3	Very low	41	Very low	92 Å²	92	120.8 Å²	120.8	56%	0.564	73%	0.727	S	S	*	*	S	Bend	trans	-110.2	-6.5	-176	-14	0	0	0	0	114.7	L567 S572	L567-T570 PolarHBondContact O-N 3.22Å; T570-S572 VanDerWaalsContact C-N 3.28Å
571	I	43.3	Very low	40.5	Very low	138 Å²	138	121 Å²	121	71%	0.708	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-81.8	-10.5	179.5	-64.4	175.5	0	0	0	111.8	T573	I571-T573 VanDerWaalsContact C-N 3.32Å; I571-T573 PolarHBondContact O-N 2.9Å
572	S	40.3	Very low	40.4	Very low	102 Å²	102	117 Å²	117	71%	0.713	72%	0.718	S	S	*	*	G	3₁₀ helix	trans	-78.4	-0.2	-175.7	-49.6	0	0	0	0	116	T570	T570-S572 VanDerWaalsContact C-N 3.28Å
573	T	43.7	Very low	39.6	Very low	110 Å²	110	120 Å²	120	68%	0.675	74%	0.735	S	S	*	*	G	3₁₀ helix	trans	-126.2	4.9	-171.6	47.6	0	0	0	0	115.2	I571 F575	I571-T573 VanDerWaalsContact C-N 3.32Å; I571-T573 PolarHBondContact O-N 2.9Å; T573-F575 PolarHBondContact O-N 2.86Å; T573-F575 VanDerWaalsContact O-N 3.16Å
574	L	40	Very low	38.5	Very low	155 Å²	155	119.4 Å²	119.4	81%	0.812	74%	0.735	S	S	*	*			trans	-84.5	28.8	178.7	-82.1	165.6	0	0	0	114.6
575	F	41	Very low	37.4	Very low	212 Å²	212	120.1 Å²	120.1	93%	0.93	74%	0.739	S	S	*	*	S	Bend	trans	-129.3	103.1	168.6	-93.7	-84.3	0	0	0	110.2	T573	T573-F575 PolarHBondContact O-N 2.86Å; T573-F575 VanDerWaalsContact O-N 3.16Å
576	G	31.2	Very low	36.4	Very low	79 Å²	79	121.5 Å²	121.5	81%	0.814	75%	0.747	S	S	*	*			trans	132.3	104.8	175	0	0	0	0	0	113.1
577	G	29.8	Very low	35.5	Very low	87 Å²	87	118.4 Å²	118.4	90%	0.897	75%	0.748	S	S	*	*			trans	-100.2	165.1	176	0	0	0	0	0	113.3
578	G	27.6	Very low	34.7	Very low	71 Å²	71	121.3 Å²	121.3	73%	0.732	76%	0.758	S	S	*	*			trans	178.6	72.5	179.4	0	0	0	0	0	117.5
579	S	29.2	Very low	34	Very low	115 Å²	115	124.6 Å²	124.6	80%	0.804	77%	0.77	S	S	*	*			trans	52.1	149.5	145.3	58.5	0	0	0	0	124.1
580	S	31.5	Very low	33.1	Very low	113 Å²	113	126 Å²	126	79%	0.79	78%	0.776	S	S	*	*			trans	80.2	112.1	150	42.4	0	0	0	0	122
581	E	29.4	Very low	32.1	Very low	185 Å²	185	130 Å²	130	86%	0.864	79%	0.788	S	S	*	*			trans	-39.9	168	142.6	-74.8	-175.9	157.1	0	0	115.3
582	P	41.2	Very low	31.3	Very low	103 Å²	103	131.9 Å²	131.9	67%	0.669	79%	0.794	S	S	*	*			cis	-148.4	161.7	32.8	43	-22.8	0	0	0	120.9
583	T	26.4	Very low	30.7	Very low	127 Å²	127	135.6 Å²	135.6	78%	0.779	80%	0.8	S	S	*	*			trans	42.1	136	143.2	65.1	0	0	0	0	120.9
584	S	25.9	Very low	29.7	Very low	99 Å²	99	139.6 Å²	139.6	69%	0.692	81%	0.811	S	S	*	*				-174.8	156.4	51.6	42.9	0	0	0	0	115.1
585	N	27.1	Very low	29.1	Very low	145 Å²	145	141.5 Å²	141.5	78%	0.775	82%	0.816	S	S	*	*			trans	67.6	115.6	147.6	-65.4	-1.4	0	0	0	124.5
586	V	27.7	Very low	28.5	Very low	132 Å²	132	137.7 Å²	137.7	80%	0.8	81%	0.809	S	S	*	*				68.2	131.6	127.8	-178.3	0	0	0	0	117.4
587	S	27.7	Very low	28.6	Very low	111 Å²	111	139.5 Å²	139.5	78%	0.776	81%	0.807	S	S	*	*			cis	-147.4	166.3	29.4	-13.2	0	0	0	0	114.3
588	E	26.8	Very low	28.6	Very low	182 Å²	182	141 Å²	141	85%	0.85	80%	0.801	S	S	*	*			trans	-73.2	176.4	165.8	-64.7	178.2	152.4	0	0	113.1
589	P	34	Very low	28.5	Very low	121 Å²	121	146.7 Å²	146.7	79%	0.786	81%	0.808	S	S	*	*			cis	-124.1	176.8	-2.2	28.8	-7.4	0	0	0	114.9
590	I	26.2	Very low	28.5	Very low	168 Å²	168	147.1 Å²	147.1	86%	0.862	81%	0.812	S	S	*	*			trans	-126.2	143.5	177	-74.3	174.2	0	0	0	109.4
591	Q	24.4	Very low	28.1	Very low	176 Å²	176	145.3 Å²	145.3	82%	0.822	81%	0.811	S	S	*	*			trans	-102.6	-173.2	168.3	-63.2	-177.1	-93.3	0	0	109.7
592	E	25.9	Very low	28	Very low	176 Å²	176	146.7 Å²	146.7	82%	0.822	81%	0.814	S	S	*	*			trans	72.9	146.3	176	-63.2	167.1	-158.4	0	0	115
593	E	27	Very low	27.2	Very low	180 Å²	180	151.3 Å²	151.3	84%	0.841	83%	0.826	S	S	*	*			cis	-157.6	179.4	-29.3	-130.1	170.8	-155.2	0	0	109.5
594	E	24.4	Very low	27	Very low	194 Å²	194	150.4 Å²	150.4	91%	0.907	83%	0.825	S	S	*	*			trans	-82.3	113.3	175.6	-68.3	-176	104.2	0	0	112.1
595	E	26	Very low	26.8	Very low	196 Å²	196	153.2 Å²	153.2	92%	0.916	83%	0.832	S	S	*	*			trans	-93.1	135.9	165.2	-85.7	-153.6	136.7	0	0	113
596	V	29.6	Very low	26.6	Very low	131 Å²	131	156 Å²	156	79%	0.794	84%	0.841	S	S	*	*			trans	-108.2	119.1	174.2	178.2	0	0	0	0	110.2
597	P	32.3	Very low	26.4	Very low	117 Å²	117	154.1 Å²	154.1	76%	0.76	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-96.9	126.9	168.7	33.3	-28.9	0	0	0	111.9
598	P	30.4	Very low	26.3	Very low	120 Å²	120	158.2 Å²	158.2	78%	0.779	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-86.3	150.4	172.3	34	-33.7	0	0	0	112.6
599	E	26.3	Very low	26.1	Very low	189 Å²	189	158.6 Å²	158.6	88%	0.883	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-74.2	137.6	169.3	-64.9	-173.2	127.1	0	0	111.9
600	S	27.8	Very low	25.7	Very low	125 Å²	125	160.8 Å²	160.8	87%	0.874	85%	0.85	S	S	*	*				172.1	126.1	108.1	44	0	0	0	0	112.4
601	G	23.7	Very low	25.5	Very low	75 Å²	75	161.1 Å²	161.1	77%	0.773	85%	0.848	S	S	*	*			trans	-116.8	138.2	167.2	0	0	0	0	0	110.6
602	K	26.7	Very low	25.5	Very low	214 Å²	214	158.5 Å²	158.5	93%	0.93	84%	0.84	S	S	*	*			trans	-138.9	125.2	163	-89.2	-166.4	172.9	-175.6	0	109.7
603	E	24.2	Very low	25.5	Very low	199 Å²	199	157.3 Å²	157.3	93%	0.93	83%	0.832	S	S	*	*			trans	-89.4	142.8	177.4	-62.7	-179	127.9	0	0	112
604	S	22.1	Very low	25.4	Very low	108 Å²	108	155.5 Å²	155.5	76%	0.755	83%	0.828	S	S	*	*			trans	-172.2	139.6	152.3	63.7	0	0	0	0	106.3
605	N	23.5	Very low	25.4	Very low	158 Å²	158	153.6 Å²	153.6	85%	0.845	82%	0.824	S	S	*	*			cis	-163.8	142.8	2.5	-136	4.9	0	0	0	106.9
606	E	22.1	Very low	25.4	Very low	203 Å²	203	150.6 Å²	150.6	95%	0.949	81%	0.81	S	S	*	*			trans	-154.3	159.4	148.8	-132.2	171.3	-143.6	0	0	112.1
607	A	23.4	Very low	25.2	Very low	93 Å²	93	150 Å²	150	77%	0.769	81%	0.807	S	S	*	*			trans	-119.5	153	-160.7	0	0	0	0	0	113
608	Q	25	Very low	25	Very low	197 Å²	197	151.8 Å²	151.8	92%	0.921	80%	0.803	S	S	*	*			trans	-129.4	135.1	153.7	-92	-176.1	-6.2	0	0	111
609	K	23.2	Very low	24.7	Very low	190 Å²	190	152.9 Å²	152.9	83%	0.826	80%	0.802	S	S	*	*			trans	-75.6	155.1	169.3	-64.9	177.7	174.7	-177.2	0	109.7
610	N	25.4	Very low	24.7	Very low	168 Å²	168	150.2 Å²	150.2	90%	0.898	79%	0.794	S	S	*	*			trans	-139.2	149.7	137.5	-93.7	-41.8	0	0	0	109.1
611	E	23.3	Very low	24.5	Very low	175 Å²	175	149.5 Å²	149.5	82%	0.818	79%	0.789	S	S	*	*			trans	-78.7	159	171.1	-66.3	160.8	159.3	0	0	107.7
612	D	24.3	Very low	24.5	Very low	121 Å²	121	149.7 Å²	149.7	65%	0.647	79%	0.791	S	S	*	*				-176.6	152.8	72.1	-156	8.1	0	0	0	112.2
613	K	25	Very low	24.5	Very low	150 Å²	150	149 Å²	149	65%	0.652	79%	0.788	S	S	*	*			trans	54.6	123	155.7	-74.9	162.9	-171.4	77.4	0	124.2
614	D	24	Very low	24.3	Very low	142 Å²	142	144.7 Å²	144.7	76%	0.759	78%	0.78	S	S	*	*				49.1	116.3	122.4	-48.9	-19.6	0	0	0	121.5
615	N	25.3	Very low	25.9	Very low	154 Å²	154	144.7 Å²	144.7	82%	0.824	78%	0.777	S	S	*	*				-160.4	173.6	90.6	-135.1	-33.1	0	0	0	114.3
616	E	26.3	Very low	25.9	Very low	133 Å²	133	143 Å²	143	62%	0.621	77%	0.773	S	S	*	*			trans	-62.5	165	175.7	-58.9	-168.4	99.6	0	0	113	K618	E616-K618 IonicContact OE1-NZ 2.82Å; E616-K618 PolarHBondContact OE1-NZ 2.93Å
617	T	26	Very low	26	Very low	120 Å²	120	141.5 Å²	141.5	74%	0.736	77%	0.766	S	S	*	*			cis	-154.2	128.3	38.8	10.6	0	0	0	0	116.4
618	K	26.7	Very low	26.1	Very low	153 Å²	153	144.9 Å²	144.9	67%	0.665	77%	0.766	S	S	*	*				38.2	138	125.5	-77.9	178.2	-177.8	116.1	0	124	E616	E616-K618 IonicContact OE1-NZ 2.82Å; E616-K618 PolarHBondContact OE1-NZ 2.93Å
619	N	25.3	Very low	26.1	Very low	143 Å²	143	143 Å²	143	77%	0.765	75%	0.754	S	S	*	*			trans	83.5	146.5	139.5	-72.1	23.9	0	0	0	120.9
620	D	24.9	Very low	26.2	Very low	133 Å²	133	140 Å²	140	71%	0.711	75%	0.748	S	S	*	*			cis	-168.3	156.1	-22.5	-171.6	23.9	0	0	0	112.1
621	S	24.1	Very low	26.2	Very low	110 Å²	110	139.8 Å²	139.8	77%	0.769	74%	0.741	S	S	*	*			trans	68.4	147.4	154.5	77.3	0	0	0	0	121.1
622	G	24.8	Very low	26.3	Very low	80 Å²	80	140.9 Å²	140.9	83%	0.825	75%	0.746	S	S	*	*			trans	166.8	24.3	173.5	0	0	0	0	0	122.4
623	K	24.9	Very low	26.3	Very low	200 Å²	200	142.8 Å²	142.8	87%	0.87	75%	0.749	S	S	*	*			trans	-21.6	127.3	177.9	-70.9	174.1	170.6	177.5	0	120.9
624	S	21.8	Very low	27.4	Very low	108 Å²	108	140.5 Å²	140.5	76%	0.755	75%	0.749	S	S	*	*				21.8	163.7	110.9	-41.1	0	0	0	0	122.3
625	P	55.1	Low	27.4	Very low	108 Å²	108	142.6 Å²	142.6	70%	0.701	75%	0.754	S	S	*	*			cis	-143.5	-137.7	-39.2	40.4	-18.5	0	0	0	112.8
626	T	22.3	Very low	27.6	Very low	123 Å²	123	140.2 Å²	140.2	76%	0.755	74%	0.742	S	S	*	*			trans	81.5	166	165.6	67.7	0	0	0	0	121.2
627	E	25.3	Very low	27.6	Very low	171 Å²	171	139.7 Å²	139.7	80%	0.799	75%	0.748	S	S	*	*				-172.7	165.6	-58	-140.1	164.1	178.5	0	0	110.4
628	E	25.2	Very low	27.6	Very low	163 Å²	163	140 Å²	140	76%	0.762	75%	0.75	S	S	*	*			trans	62.5	165.7	160.2	-67.8	-150	125.2	0	0	120.7
629	K	25.6	Very low	27.6	Very low	157 Å²	157	137.5 Å²	137.5	68%	0.683	75%	0.752	S	S	*	*			cis	-169.6	-175.7	-46.1	-146.4	-176.2	177	-172.1	0	110.6
630	N	24.6	Very low	27.6	Very low	129 Å²	129	138 Å²	138	69%	0.69	75%	0.747	S	S	*	*			trans	76.8	162.2	165.2	-60.3	-0	0	0	0	117.8
631	E	24.8	Very low	27.6	Very low	163 Å²	163	136.6 Å²	136.6	76%	0.762	74%	0.744	S	S	*	*			cis	170.3	135.8	-47.8	-108.2	-176.9	-172.3	0	0	107.7
632	E	25.1	Very low	27.6	Very low	198 Å²	198	138.5 Å²	138.5	93%	0.925	74%	0.74	S	S	*	*			trans	-170.8	163.6	141.5	-112.3	173.4	-169.6	0	0	112.6
633	K	25.3	Very low	27.6	Very low	160 Å²	160	140.8 Å²	140.8	70%	0.696	74%	0.738	S	S	*	*			trans	-159.9	-167.9	-172.7	-124.7	-154.6	172.4	-165.2	0	106.6	D636	K633-D636 IonicContact NZ-OD1 2.68Å; K633-D636 PolarHBondContact NZ-OD1 3.27Å
634	P	47	Very low	28	Very low	102 Å²	102	137 Å²	137	66%	0.662	73%	0.734	S	S	*	*			cis	-107.6	-148.6	-2.4	24.3	1.8	0	0	0	109.1
635	E	25.9	Very low	28	Very low	186 Å²	186	139.5 Å²	139.5	87%	0.869	73%	0.734	S	S	*	*			cis	-139.8	-178.3	6.7	-68.3	-176.6	107.3	0	0	111
636	D	27.9	Very low	26.5	Very low	105 Å²	105	140.3 Å²	140.3	56%	0.561	73%	0.728	S	S	*	*				-157.6	-155.3	-90.5	-140.7	94.6	0	0	0	108.5	K633	K633-D636 IonicContact NZ-OD1 2.68Å; K633-D636 PolarHBondContact NZ-OD1 3.27Å
637	T	26.8	Very low	26.6	Very low	122 Å²	122	143.3 Å²	143.3	75%	0.748	73%	0.731	S	S	*	*			trans	72.3	153.3	179.6	75.6	0	0	0	0	114.1
638	T	26.9	Very low	26.5	Very low	125 Å²	125	139 Å²	139	77%	0.767	73%	0.733	S	S	*	*			cis	-163.4	162.1	-14.4	21.8	0	0	0	0	105.3
639	S	24.8	Very low	26.5	Very low	102 Å²	102	138.2 Å²	138.2	71%	0.713	73%	0.734	S	S	*	*			cis	-174.9	151.5	-14.2	45.7	0	0	0	0	106.5
640	K	26.3	Very low	26.5	Very low	153 Å²	153	138.3 Å²	138.3	67%	0.665	74%	0.736	S	S	*	*			cis	-150.6	144.9	-3.7	-119.7	-160.6	150.9	-140.3	0	105.9	E642	K640-E642 IonicContact NZ-OE1 3.85Å; K640-E642 PolarHBondContact NZ-OE1 3.07Å; K640-E642 IonicContact NZ-OE2 3.25Å
641	T	24	Very low	26.5	Very low	104 Å²	104	141.4 Å²	141.4	64%	0.638	74%	0.744	S	S	*	*				51.4	151.2	96.6	82.7	0	0	0	0	116.4
642	E	25.3	Very low	26.4	Very low	149 Å²	149	138.6 Å²	138.6	70%	0.696	74%	0.742	S	S	*	*			cis	-151.3	160.9	27.7	-142.2	130.8	-90.1	0	0	115.3	K640	K640-E642 IonicContact NZ-OE1 3.85Å; K640-E642 PolarHBondContact NZ-OE1 3.07Å; K640-E642 IonicContact NZ-OE2 3.25Å
643	T	23.8	Very low	26.4	Very low	128 Å²	128	137.6 Å²	137.6	79%	0.785	74%	0.738	S	S	*	*			trans	-84.3	-168.2	173.7	-1.4	0	0	0	0	110.8
644	P	32.9	Very low	26.4	Very low	121 Å²	121	137.1 Å²	137.1	79%	0.786	74%	0.742	S	S	*	*			cis	-150.7	-170.7	31.9	43	-18.8	0	0	0	119
645	Q	22.8	Very low	25.6	Very low	160 Å²	160	136.1 Å²	136.1	75%	0.748	74%	0.743	S	S	*	*			trans	-76.3	-178.8	161.6	-61.3	162.3	-110.9	0	0	110.9
646	E	23.8	Very low	25.8	Very low	125 Å²	125	136.7 Å²	136.7	58%	0.584	75%	0.745	S	S	*	*			cis	-164.6	169.2	13	-147.9	176.3	-140.6	0	0	112.7
647	K	24.5	Very low	25.8	Very low	186 Å²	186	138 Å²	138	81%	0.809	76%	0.757	S	S	*	*			trans	68.1	131.6	154.3	-83.3	157.7	-175.8	145.5	0	121.5
648	G	24	Very low	26.2	Very low	81 Å²	81	141.6 Å²	141.6	84%	0.835	77%	0.766	S	S	*	*			trans	177.4	139.3	164.6	0	0	0	0	0	109.8
649	D	24.3	Very low	26.6	Very low	147 Å²	147	145.3 Å²	145.3	79%	0.786	77%	0.771	S	S	*	*			trans	-120.8	160.1	-168.3	-153.5	-8.3	0	0	0	113.5
650	Q	25.8	Very low	27.1	Very low	158 Å²	158	150.5 Å²	150.5	74%	0.738	78%	0.781	S	S	*	*			trans	-8.6	128	-179.9	-69.2	162.3	47	0	0	120.3
651	K	23.5	Very low	27.6	Very low	195 Å²	195	149.6 Å²	149.6	85%	0.848	79%	0.788	S	S	*	*				-176.8	163.9	103.8	-108.2	179.7	178	177.8	0	116.8
652	S	23.9	Very low	28.7	Very low	103 Å²	103	153.6 Å²	153.6	72%	0.72	80%	0.797	S	S	*	*			trans	63.9	121.6	157.7	45.7	0	0	0	0	120.6
653	E	25.5	Very low	29.9	Very low	178 Å²	178	152.7 Å²	152.7	83%	0.832	80%	0.804	S	S	*	*				24.3	139.3	122.1	-60.2	170	-173.2	0	0	118.7
654	N	25.1	Very low	31.5	Very low	149 Å²	149	152.8 Å²	152.8	80%	0.797	80%	0.796	S	S	*	*			cis	-153.1	-179.5	24	-142.8	-30.6	0	0	0	113.4
655	A	30.1	Very low	33.4	Very low	81 Å²	81	154.5 Å²	154.5	67%	0.669	79%	0.79	S	S	*	*			trans	-54.9	145	-168.3	0	0	0	0	0	118.2
656	E	28.8	Very low	36.1	Very low	198 Å²	198	153.1 Å²	153.1	93%	0.925	78%	0.779	S	S	*	*				-148.8	160.6	117.1	-125.3	172.8	-161.2	0	0	110.9
657	T	29.7	Very low	39	Very low	132 Å²	132	150 Å²	150	81%	0.81	77%	0.768	S	S	*	*			trans	-119.1	117.4	-164.3	49.9	0	0	0	0	114.5
658	E	35.4	Very low	42.2	Very low	198 Å²	198	146.1 Å²	146.1	93%	0.925	75%	0.751	S	S	*	*			trans	-105.1	137.9	160.5	-71.3	-156	131.1	0	0	111.7
659	K	33.4	Very low	45.5	Very low	203 Å²	203	144.3 Å²	144.3	88%	0.883	72%	0.722	S	S	*	*			trans	-84.8	122.2	-172.8	-66.6	174.8	179.6	174	0	111.3	T661	K659-T661 PolarHBondContact O-N 2.98Å
660	K	37.1	Very low	48.8	Very low	211 Å²	211	139.7 Å²	139.7	92%	0.917	70%	0.701	S	S	*	*			trans	-75.6	114.9	156.6	-77.1	-173.4	176.3	179.6	0	109.6
661	T	36.1	Very low	52	Low	134 Å²	134	134 Å²	134	82%	0.822	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-67	140.2	175.1	-24.6	0	0	0	0	110.8	K659	K659-T661 PolarHBondContact O-N 2.98Å
662	K	47.1	Very low	55.5	Low	188 Å²	188	130.3 Å²	130.3	82%	0.817	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-67.2	149.4	169.7	-72.2	-178.9	177.8	178.3	0	110.3	Q664	K662-Q664 PolarHBondContact O-N 2.65Å
663	P	49.3	Very low	59	Low	130 Å²	130	125.8 Å²	125.8	84%	0.844	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-66.8	127.1	170.2	28.4	-33.6	0	0	0	110.5
664	Q	59	Low	62.3	Low	131 Å²	131	121 Å²	121	61%	0.612	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-72.3	137.5	173.2	-72.1	172.9	-45.5	0	0	110.8	I554 K662 R666	I554-Q664 HydrophobicContact CG2-CB 4.18Å; I554-Q664 HydrophobicContact CG2-CG 4.43Å; K662-Q664 PolarHBondContact O-N 2.65Å; Q664-R666 PolarHBondContact O-N 2.85Å
665	K	71.5	Confident	65.7	Low	156 Å²	156	117.2 Å²	117.2	68%	0.678	60%	0.595	S	S	*	*			trans	-84	110.7	179.2	-171.7	178.3	177.4	-172.9	0	109.7
666	R	79.3	Confident	68.8	Low	132 Å²	132	117.8 Å²	117.8	50%	0.498	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.6	142.6	175.3	-60.5	-173.2	175.6	-140.9	-7.5	110.8	E526 E552 Q664	E526-R666 IonicContact OE2-CZ 2.72Å; E526-R666 IonicContact OE2-NH1 2.81Å; E526-R666 PolarHBondContact OE2-NH1 2.95Å; E552-R666 WeakPolarHBondContact OE2-CD 3.2Å; E552-R666 IonicContact OE2-CZ 3.67Å; E552-R666 IonicContact OE2-NE 3.57Å; E552-R666 IonicContact OE2-NH1 3.59Å; E552-R666 PolarHBondContact OE2-NH1 3.45Å; Q664-R666 PolarHBondContact O-N 2.85Å
667	T	86.4	Confident	72	Confident	60 Å²	60	112.2 Å²	112.2	37%	0.368	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.4	126.3	176.6	-62.7	0	0	0	0	109.9	E552 T553 V555	E552-T667 WeakPolarHBondContact CA-O 3.11Å; T553-T667 PolarHBondContact N-O 3.26Å; T553-T667 PolarHBondContact O-N 2.99Å; V555-T667 WeakPolarHBondContact CG2-OG1 3.47Å
668	K	91.6	Very high	75.1	Confident	104 Å²	104	109.2 Å²	109.2	45%	0.452	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	122.2	173.2	-171.8	-142.4	177	-165.6	0	109.4	E548 V550 S670	E548-K668 IonicContact OE1-NZ 2.91Å; E548-K668 PolarHBondContact OE1-NZ 3.21Å; E548-K668 IonicContact OE2-NZ 3.78Å; V550-K668 HydrophobicContact CG1-CD 4.25Å; V550-K668 VanDerWaalsContact CG1-CE 3.41Å; V550-K668 HydrophobicContact CG1-CG 3.79Å; K668-S670 WeakPolarHBondContact CE-OG 3.4Å; K668-S670 PolarHBondContact NZ-OG 3.31Å
669	I	92.3	Very high	77.8	Confident	43 Å²	43	102.6 Å²	102.6	22%	0.221	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	142.3	163.2	-60.5	170.9	0	0	0	107.7	A525 V550 F551 T553	A525-I669 HydrophobicContact CB-CD1 4.41Å; V550-I669 WeakPolarHBondContact CA-O 3.34Å; F551-I669 HydrophobicContact CB-CB 4.3Å; F551-I669 HydrophobicContact CD2-CG2 4.38Å; F551-I669 PolarHBondContact N-O 3.48Å; F551-I669 PolarHBondContact O-N 3.25Å; T553-I669 HydrophobicContact CG2-CD1 3.99Å; T553-I669 HydrophobicContact CG2-CG1 4.42Å
670	S	93.8	Very high	80.6	Confident	50 Å²	50	95.5 Å²	95.5	35%	0.35	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	131.8	-179.7	-146.8	0	0	0	0	108.9	E548 S549 K668	E548-S670 PolarHBondContact OE1-OG 2.81Å; S549-S670 WeakPolarHBondContact O-CA 3.32Å; K668-S670 WeakPolarHBondContact CE-OG 3.4Å; K668-S670 PolarHBondContact NZ-OG 3.31Å
671	E	94.1	Very high	83.2	Confident	38 Å²	38	85.8 Å²	85.8	18%	0.178	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	138.3	171.8	-49.5	-167	133.5	0	0	109.7	S518 K521 H522 E548 S549	S518-E671 WeakPolarHBondContact CB-OE2 3.43Å; S518-E671 PolarHBondContact OG-OE2 2.88Å; K521-E671 WeakPolarHBondContact CD-OE1 3.39Å; K521-E671 VanDerWaalsContact CE-OE1 3.25Å; K521-E671 WeakPolarHBondContact CE-OE1 3.48Å; K521-E671 IonicContact NZ-OE1 3.84Å; K521-E671 PolarHBondContact NZ-OE1 3.49Å; H522-E671 IonicContact CD2-OE1 2.74Å; H522-E671 IonicContact CD2-OE2 2.9Å; H522-E671 IonicContact CE1-OE1 3.67Å; H522-E671 IonicContact NE2-OE1 2.81Å; H522-E671 PolarHBondContact NE2-OE1 3Å; H522-E671 IonicContact NE2-OE2 2.7Å; H522-E671 PolarHBondContact NE2-OE2 2.7Å; E548-E671 CarbonylContact C-O 3.55Å; E548-E671 WeakPolarHBondContact CA-O 3.24Å; S549-E671 PolarHBondContact N-O 2.94Å; S549-E671 PolarHBondContact O-N 3.1Å; S549-E671 VanDerWaalsContact O-N 3.08Å; S549-E671 PolarHBondContact OG-O 3.28Å
672	D	96.3	Very high	85.9	Confident	117 Å²	117	79.9 Å²	79.9	63%	0.626	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	136.4	175.7	-66.3	-45.3	0	0	0	110.6	R546	R546-D672 VanDerWaalsContact CD-OD1 3.24Å; R546-D672 WeakPolarHBondContact CD-OD1 3.36Å; R546-D672 IonicContact NE-OD1 3.24Å
673	V	96.4	Very high	88	Confident	9 Å²	9	75.7 Å²	75.7	6%	0.055	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-101.9	117.1	-177.1	175.2	0	0	0	0	108.6	L512 V515 I530 V547 M675	L512-V673 HydrophobicContact CB-CG1 3.92Å; L512-V673 HydrophobicContact CD1-CG1 4.47Å; L512-V673 HydrophobicContact CD2-CG1 4.31Å; L512-V673 HydrophobicContact CG-CG1 4.46Å; V515-V673 HydrophobicContact CG2-CG1 3.72Å; I530-V673 HydrophobicContact CG2-CG2 4.37Å; V547-V673 HydrophobicContact CB-CB 4.35Å; V547-V673 HydrophobicContact CG1-CB 4.1Å; V547-V673 PolarHBondContact O-N 3.39Å; V673-M675 PolarHBondContact O-N 3.48Å
674	P	96.2	Very high	90	Very high	77 Å²	77	72.4 Å²	72.4	50%	0.5	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-50.1	135.5	172.4	-30	35.5	0	0	0	113	L512 S513	L512-P674 WeakPolarHBondContact CA-O 3.08Å; S513-P674 PolarHBondContact N-O 3Å; S513-P674 WeakPolarHBondContact O-CD 3.39Å
675	M	95.4	Very high	91.7	Very high	69 Å²	69	67 Å²	67	34%	0.34	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	137.4	-178.8	62.1	-179.4	174.4	0	0	112.5	V510 K511 L512 L544 V547 V673 L677	V510-M675 HydrophobicContact CG1-CB 4.21Å; K511-M675 CarbonylContact O-C 3.57Å; K511-M675 VanDerWaalsContact O-CA 3.26Å; K511-M675 WeakPolarHBondContact O-CA 3.45Å; L512-M675 HydrophobicContact CD2-CB 3.7Å; L544-M675 HydrophobicContact CD2-SD 3.79Å; L544-M675 HydrophobicContact CG-CE 4.28Å; L544-M675 HydrophobicContact CG-SD 3.94Å; V547-M675 HydrophobicContact CG2-SD 3.84Å; V673-M675 PolarHBondContact O-N 3.48Å; M675-L677 HydrophobicContact CG-CD2 4.5Å; M675-L677 HydrophobicContact SD-CD2 4.23Å
676	E	96.5	Very high	92.7	Very high	93 Å²	93	63 Å²	63	44%	0.435	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	123.4	170	-172.8	-160	145.7	0	0	108.2	K511 L678	K511-E676 HydrophobicContact CB-CB 4.25Å; K511-E676 HydrophobicContact CD-CB 4.11Å; K511-E676 VanDerWaalsContact CD-CD 3.48Å; K511-E676 HydrophobicContact CD-CG 4.27Å; K511-E676 WeakPolarHBondContact CD-OE2 3.21Å; K511-E676 PolarHBondContact N-O 3.38Å; K511-E676 IonicContact NZ-OE1 3.38Å; K511-E676 PolarHBondContact NZ-OE1 2.92Å; K511-E676 IonicContact NZ-OE2 2.69Å; K511-E676 PolarHBondContact NZ-OE2 3.46Å; K511-E676 PolarHBondContact O-N 3.02Å; E676-L678 VanDerWaalsContact OE1-CD2 3.3Å; E676-L678 WeakPolarHBondContact OE1-CD2 3.14Å
677	L	95.2	Very high	93.4	Very high	82 Å²	82	60.1 Å²	60.1	43%	0.429	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	108.5	-179.9	-56.3	-177.9	0	0	0	110	T508 V510 L544 M675	T508-L677 HydrophobicContact CG2-CB 4.13Å; T508-L677 HydrophobicContact CG2-CD2 4.29Å; V510-L677 HydrophobicContact CB-CD2 4.33Å; V510-L677 HydrophobicContact CG1-CD2 3.99Å; V510-L677 HydrophobicContact CG2-CD2 3.81Å; L544-L677 HydrophobicContact CD2-CD2 4.16Å; M675-L677 HydrophobicContact CG-CD2 4.5Å; M675-L677 HydrophobicContact SD-CD2 4.23Å
678	L	94.1	Very high	93.8	Very high	69 Å²	69	63.1 Å²	63.1	36%	0.361	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	103.8	170.4	-67.3	-177.5	0	0	0	109.7	T508 T509 K511 E676 N680	T508-L678 CarbonylContact C-O 3.58Å; T508-L678 VanDerWaalsContact CA-O 3.26Å; T508-L678 WeakPolarHBondContact CA-O 3.3Å; T509-L678 PolarHBondContact N-O 2.98Å; T509-L678 PolarHBondContact O-N 2.93Å; K511-L678 HydrophobicContact CD-CD1 4.36Å; E676-L678 VanDerWaalsContact OE1-CD2 3.3Å; E676-L678 WeakPolarHBondContact OE1-CD2 3.14Å; L678-N680 PolarHBondContact O-N 2.83Å
679	I	92.5	Very high	93.8	Very high	59 Å²	59	61.6 Å²	61.6	30%	0.303	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	115.8	179.1	-54	-56.4	0	0	0	109.7	T508 D681 I682	T508-I679 HydrophobicContact CG2-CD1 4.12Å; I679-D681 WeakPolarHBondContact CG2-OD1 3.11Å; I679-I682 WeakPolarHBondContact CG2-O 3.41Å
680	N	91.6	Very high	94	Very high	53 Å²	53	60.5 Å²	60.5	28%	0.283	34%	0.336	S	S	.	.			trans	-101	-12.1	-174.2	-68.5	-42	0	0	0	113.3	S504 N506 L507 T509 L678	S504-N680 PolarHBondContact OG-O 3.37Å; N506-N680 HydrophobicContact CB-CB 4.19Å; N506-N680 VanDerWaalsContact CG-ND2 3.28Å; N506-N680 PolarHBondContact ND2-ND2 2.84Å; N506-N680 VanDerWaalsContact ND2-ND2 3.19Å; N506-N680 CarbonylContact O-C 3.59Å; N506-N680 WeakPolarHBondContact O-CB 3.26Å; N506-N680 WeakPolarHBondContact OD1-CB 3.35Å; N506-N680 PolarHBondContact OD1-ND2 3.24Å; L507-N680 PolarHBondContact O-N 2.85Å; T509-N680 PolarHBondContact N-ND2 3.37Å; T509-N680 PolarHBondContact OG1-ND2 2.93Å; L678-N680 PolarHBondContact O-N 2.83Å
681	D	92	Very high	94	Very high	7 Å²	7	63.5 Å²	63.5	4%	0.037	35%	0.347	C	S	.	.	S	Bend	trans	-86.4	-85.7	-178.8	62.9	-5.4	0	0	0	112.8	K100 R179 N506 L507 I679	K100-D681 WeakPolarHBondContact CE-O 3.49Å; K100-D681 PolarHBondContact NZ-O 2.88Å; K100-D681 VanDerWaalsContact NZ-O 3.11Å; R179-D681 IonicContact CZ-OD1 3.85Å; R179-D681 IonicContact CZ-OD2 3.95Å; R179-D681 IonicContact NH1-OD1 3.29Å; R179-D681 IonicContact NH1-OD2 3.85Å; R179-D681 PolarHBondContact NH1-OD2 3.27Å; R179-D681 IonicContact NH2-OD1 3.69Å; R179-D681 PolarHBondContact NH2-OD1 2.66Å; R179-D681 IonicContact NH2-OD2 3.55Å; R179-D681 PolarHBondContact NH2-OD2 2.83Å; N506-D681 PolarHBondContact O-N 3.44Å; L507-D681 HydrophobicContact CD2-CB 4.24Å; L507-D681 VanDerWaalsContact CD2-OD2 3.25Å; L507-D681 WeakPolarHBondContact CD2-OD2 3.4Å; I679-D681 WeakPolarHBondContact CG2-OD1 3.11Å
682	I	93.5	Very high	94.1	Very high	10 Å²	10	65.3 Å²	65.3	5%	0.051	36%	0.364	C	S	.	.			trans	-129.7	123	173.8	-62.3	-65.3	0	0	0	106.1	G98 K100 T126 A176 R179 I679 D684	G98-I682 WeakPolarHBondContact O-CG1 3.4Å; K100-I682 HydrophobicContact CD-CD1 4.34Å; K100-I682 HydrophobicContact CG-CD1 3.49Å; K100-I682 VanDerWaalsContact CG-CD1 3.49Å; T126-I682 HydrophobicContact CG2-CD1 4.25Å; T126-I682 HydrophobicContact CG2-CG2 3.7Å; A176-I682 HydrophobicContact CB-CB 4.08Å; A176-I682 HydrophobicContact CB-CG1 3.7Å; R179-I682 PolarHBondContact NH2-O 2.71Å; I679-I682 WeakPolarHBondContact CG2-O 3.41Å; I682-D684 PolarHBondContact O-N 3.07Å
683	M	91.5	Very high	94.1	Very high	100 Å²	100	60.6 Å²	60.6	49%	0.493	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-62.7	129.5	174.8	-68.7	177.3	64.8	0	0	109.8	R124	R124-M683 PolarHBondContact NE-O 3.36Å; R124-M683 PolarHBondContact NH2-O 3.48Å
684	D	91.9	Very high	94	Very high	62 Å²	62	63.7 Å²	63.7	33%	0.332	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-69.1	144.6	172.3	-60.9	-28.6	0	0	0	108.9	R179 H183 I682	R179-D684 IonicContact CZ-OD1 3.55Å; R179-D684 IonicContact CZ-OD2 3.52Å; R179-D684 VanDerWaalsContact NE-CG 3.35Å; R179-D684 IonicContact NE-OD1 2.74Å; R179-D684 PolarHBondContact NE-OD1 3.31Å; R179-D684 IonicContact NE-OD2 3.85Å; R179-D684 PolarHBondContact NE-OD2 2.99Å; R179-D684 VanDerWaalsContact NE-OD2 3.14Å; R179-D684 IonicContact NH2-OD1 3.53Å; R179-D684 PolarHBondContact NH2-OD1 3.37Å; R179-D684 IonicContact NH2-OD2 2.67Å; H183-D684 IonicContact CE1-OD1 3.35Å; H183-D684 PolarHBondContact CE1-OD1 2.93Å; H183-D684 IonicContact NE2-OD1 2.63Å; I682-D684 PolarHBondContact O-N 3.07Å
685	P	93.1	Very high	94	Very high	16 Å²	16	66.3 Å²	66.3	10%	0.104	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-63.5	145.7	178.5	29	-34.8	0	0	0	110.3	H183 D689 L690	H183-P685 HydrophobicContact CB-CG 4.42Å; H183-P685 VanDerWaalsContact CE1-CD 3.46Å; H183-P685 WeakPolarHBondContact CE1-CD 3.38Å; P685-D689 HydrophobicContact CB-CB 3.96Å; P685-L690 HydrophobicContact CB-CD2 4.42Å; P685-L690 HydrophobicContact CB-CG 4.13Å; P685-L690 HydrophobicContact CG-CD1 4.15Å; P685-L690 HydrophobicContact CG-CD2 3.74Å; P685-L690 HydrophobicContact CG-CG 3.8Å
686	T	93.1	Very high	93.9	Very high	74 Å²	74	65.9 Å²	65.9	45%	0.454	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-68.3	165.8	178.2	69.4	0	0	0	0	111.4	D688 D689 L690	T686-D688 PolarHBondContact O-N 3.26Å; T686-D688 PolarHBondContact OG1-N 3.15Å; T686-D689 VanDerWaalsContact CB-OD2 3.29Å; T686-D689 WeakPolarHBondContact CB-OD2 3.36Å; T686-D689 WeakPolarHBondContact CG2-OD2 3.33Å; T686-D689 PolarHBondContact N-OD2 3.43Å; T686-D689 PolarHBondContact O-N 3.47Å; T686-D689 PolarHBondContact OG1-N 2.94Å; T686-D689 VanDerWaalsContact OG1-N 3.13Å; T686-D689 PolarHBondContact OG1-OD2 2.99Å; T686-L690 WeakPolarHBondContact O-CG 3.23Å; T686-L690 PolarHBondContact O-N 3.39Å
687	A	93.4	Very high	93.8	Very high	70 Å²	70	61.8 Å²	61.8	58%	0.579	33%	0.333	S	S	*	.	H	α-helix	trans	-56.1	-38.8	173.2	0	0	0	0	0	111.8	L690 I691	A687-L690 PolarHBondContact O-N 3.42Å; A687-I691 WeakPolarHBondContact O-CB 3.32Å; A687-I691 WeakPolarHBondContact O-CD1 3.39Å; A687-I691 WeakPolarHBondContact O-CG1 3.29Å; A687-I691 PolarHBondContact O-N 2.89Å
688	D	94.9	Very high	93.7	Very high	124 Å²	124	61.5 Å²	61.5	66%	0.663	33%	0.33	S	S	*	.	H	α-helix	trans	-71	-37.7	177.9	-68	-31.4	0	0	0	112.2	T686 L690 I691 S692	T686-D688 PolarHBondContact O-N 3.26Å; T686-D688 PolarHBondContact OG1-N 3.15Å; D688-L690 VanDerWaalsContact C-N 3.35Å; D688-I691 PolarHBondContact O-N 2.96Å; D688-S692 WeakPolarHBondContact O-CB 3.29Å; D688-S692 PolarHBondContact O-N 3.06Å
689	D	93.4	Very high	93.7	Very high	71 Å²	71	61.6 Å²	61.6	38%	0.38	33%	0.331	S	S	.	.	H	α-helix	trans	-62.4	-42.2	172.9	-62	-50.5	0	0	0	111.5	P685 T686 S692 S693	P685-D689 HydrophobicContact CB-CB 3.96Å; T686-D689 VanDerWaalsContact CB-OD2 3.29Å; T686-D689 WeakPolarHBondContact CB-OD2 3.36Å; T686-D689 WeakPolarHBondContact CG2-OD2 3.33Å; T686-D689 PolarHBondContact N-OD2 3.43Å; T686-D689 PolarHBondContact O-N 3.47Å; T686-D689 PolarHBondContact OG1-N 2.94Å; T686-D689 VanDerWaalsContact OG1-N 3.13Å; T686-D689 PolarHBondContact OG1-OD2 2.99Å; D689-S692 PolarHBondContact O-N 3.31Å; D689-S693 VanDerWaalsContact O-CB 3.28Å; D689-S693 WeakPolarHBondContact O-CB 3.39Å; D689-S693 PolarHBondContact O-N 2.88Å; D689-S693 PolarHBondContact O-OG 3.08Å
690	L	94.4	Very high	93.6	Very high	21 Å²	21	59.3 Å²	59.3	11%	0.11	32%	0.319	C	S	.	.	H	α-helix	trans	-67.1	-41.2	177.3	-74.9	165.6	0	0	0	111.8	H183 M187 P685 T686 A687 D688 K694	H183-L690 HydrophobicContact CB-CD2 4.43Å; M187-L690 HydrophobicContact CE-CD2 3.93Å; M187-L690 HydrophobicContact CG-CD2 4.28Å; P685-L690 HydrophobicContact CB-CD2 4.42Å; P685-L690 HydrophobicContact CB-CG 4.13Å; P685-L690 HydrophobicContact CG-CD1 4.15Å; P685-L690 HydrophobicContact CG-CD2 3.74Å; P685-L690 HydrophobicContact CG-CG 3.8Å; T686-L690 WeakPolarHBondContact O-CG 3.23Å; T686-L690 PolarHBondContact O-N 3.39Å; A687-L690 PolarHBondContact O-N 3.42Å; D688-L690 VanDerWaalsContact C-N 3.35Å; L690-K694 WeakPolarHBondContact O-CB 3.38Å; L690-K694 PolarHBondContact O-N 3.17Å
691	I	95.6	Very high	93.7	Very high	112 Å²	112	57.6 Å²	57.6	57%	0.574	31%	0.311	S	S	*	.	H	α-helix	trans	-64.6	-44.7	174.3	-71.8	163.5	0	0	0	110.5	A687 D688 K694 K695	A687-I691 WeakPolarHBondContact O-CB 3.32Å; A687-I691 WeakPolarHBondContact O-CD1 3.39Å; A687-I691 WeakPolarHBondContact O-CG1 3.29Å; A687-I691 PolarHBondContact O-N 2.89Å; D688-I691 PolarHBondContact O-N 2.96Å; I691-K694 PolarHBondContact O-N 3.15Å; I691-K695 WeakPolarHBondContact O-CB 3.25Å; I691-K695 PolarHBondContact O-N 2.87Å
692	S	95.4	Very high	93.7	Very high	77 Å²	77	61.1 Å²	61.1	54%	0.538	33%	0.329	S	S	.	.	H	α-helix	trans	-61.6	-49.8	177.7	-174.7	0	0	0	0	111.7	D688 D689 K695 K696	D688-S692 WeakPolarHBondContact O-CB 3.29Å; D688-S692 PolarHBondContact O-N 3.06Å; D689-S692 PolarHBondContact O-N 3.31Å; S692-K695 PolarHBondContact O-N 2.73Å; S692-K696 VanDerWaalsContact O-CB 3.27Å; S692-K696 WeakPolarHBondContact O-CB 3.31Å; S692-K696 PolarHBondContact O-N 2.86Å
693	S	95.4	Very high	93.5	Very high	17 Å²	17	65.9 Å²	65.9	12%	0.119	35%	0.347	C	S	.	.	H	α-helix	trans	-62	-47.3	176.7	-58.5	0	0	0	0	111.5	D689 K695 K696 L697	D689-S693 VanDerWaalsContact O-CB 3.28Å; D689-S693 WeakPolarHBondContact O-CB 3.39Å; D689-S693 PolarHBondContact O-N 2.88Å; D689-S693 PolarHBondContact O-OG 3.08Å; S693-K695 PolarHBondContact O-N 3.43Å; S693-K696 WeakPolarHBondContact O-CB 3.47Å; S693-K696 PolarHBondContact O-N 3Å; S693-L697 WeakPolarHBondContact O-CG 3.31Å; S693-L697 PolarHBondContact O-N 2.91Å
694	K	95.8	Very high	93.5	Very high	75 Å²	75	62.2 Å²	62.2	33%	0.326	33%	0.329	S	S	.	.	H	α-helix	trans	-60.2	-43.5	177.6	-176.5	167.9	-175.1	167.9	0	111.9	D189 L690 I691 L697 Q698	D189-K694 IonicContact OD1-NZ 2.71Å; D189-K694 PolarHBondContact OD1-NZ 2.78Å; L690-K694 WeakPolarHBondContact O-CB 3.38Å; L690-K694 PolarHBondContact O-N 3.17Å; I691-K694 PolarHBondContact O-N 3.15Å; K694-L697 PolarHBondContact O-N 3.28Å; K694-Q698 WeakPolarHBondContact O-CB 3.47Å; K694-Q698 PolarHBondContact O-N 2.93Å
695	K	95.6	Very high	93.4	Very high	131 Å²	131	63.7 Å²	63.7	57%	0.57	34%	0.337	S	S	*	.	H	α-helix	trans	-61.1	-49.9	174	-173.6	-171.1	170.7	-172.1	0	111.1	I691 S692 S693 L697 Q698 D699	I691-K695 WeakPolarHBondContact O-CB 3.25Å; I691-K695 PolarHBondContact O-N 2.87Å; S692-K695 PolarHBondContact O-N 2.73Å; S693-K695 PolarHBondContact O-N 3.43Å; K695-L697 VanDerWaalsContact C-N 3.29Å; K695-L697 PolarHBondContact O-N 3.49Å; K695-Q698 CarbonylContact O-C 3.57Å; K695-Q698 WeakPolarHBondContact O-CA 3.4Å; K695-Q698 PolarHBondContact O-N 3.33Å; K695-D699 WeakPolarHBondContact CE-OD2 3.44Å; K695-D699 WeakPolarHBondContact O-CB 3.29Å; K695-D699 VanDerWaalsContact O-CG 3.29Å; K695-D699 PolarHBondContact O-N 3.48Å
696	K	93.3	Very high	93.3	Very high	60 Å²	60	65.8 Å²	65.8	26%	0.261	36%	0.355	S	S	.	.	H	α-helix	trans	-56.1	-39.7	177.5	174.3	-175.9	170.8	-162.8	0	112.5	Y136 Y137 E141 S692 S693 L700	Y136-K696 PolarHBondContact O-NZ 3Å; Y137-K696 VanDerWaalsContact CE1-CE 3.41Å; E141-K696 WeakPolarHBondContact OE1-CD 3.25Å; E141-K696 VanDerWaalsContact OE1-CE 3.28Å; E141-K696 WeakPolarHBondContact OE1-CE 3.33Å; E141-K696 IonicContact OE1-NZ 2.73Å; E141-K696 PolarHBondContact OE1-NZ 3.33Å; E141-K696 IonicContact OE2-NZ 2.76Å; S692-K696 VanDerWaalsContact O-CB 3.27Å; S692-K696 WeakPolarHBondContact O-CB 3.31Å; S692-K696 PolarHBondContact O-N 2.86Å; S693-K696 WeakPolarHBondContact O-CB 3.47Å; S693-K696 PolarHBondContact O-N 3Å; K696-L700 WeakPolarHBondContact O-CD1 3.39Å; K696-L700 WeakPolarHBondContact O-CG 3.45Å; K696-L700 PolarHBondContact O-N 3.32Å
697	L	94	Very high	93.2	Very high	7 Å²	7	66 Å²	66	4%	0.037	35%	0.35	C	S	.	.	H	α-helix	trans	-72.2	-33.9	174.3	-63	-159.8	0	0	0	113	E141 M145 M187 S693 K694 K695 L700 T701	E141-L697 HydrophobicContact CB-CD2 4.39Å; M145-L697 HydrophobicContact CE-CD2 3.54Å; M145-L697 HydrophobicContact CG-CD1 4.16Å; M145-L697 HydrophobicContact CG-CD2 3.7Å; M145-L697 HydrophobicContact CG-CG 4.5Å; M145-L697 HydrophobicContact SD-CD2 4.33Å; M187-L697 HydrophobicContact CB-CD1 4.08Å; S693-L697 WeakPolarHBondContact O-CG 3.31Å; S693-L697 PolarHBondContact O-N 2.91Å; K694-L697 PolarHBondContact O-N 3.28Å; K695-L697 VanDerWaalsContact C-N 3.29Å; K695-L697 PolarHBondContact O-N 3.49Å; L697-L700 HydrophobicContact CD2-CD1 4.41Å; L697-T701 PolarHBondContact O-N 3.31Å; L697-T701 VanDerWaalsContact O-N 3.1Å; L697-T701 PolarHBondContact O-OG1 2.87Å
698	Q	93.8	Very high	93	Very high	77 Å²	77	68.2 Å²	68.2	36%	0.36	35%	0.348	S	S	.	.	H	α-helix	trans	-70.1	-47.3	174.3	-169	64.5	49.1	0	0	111.5	K694 K695 L700 T701 D702	K694-Q698 WeakPolarHBondContact O-CB 3.47Å; K694-Q698 PolarHBondContact O-N 2.93Å; K695-Q698 CarbonylContact O-C 3.57Å; K695-Q698 WeakPolarHBondContact O-CA 3.4Å; K695-Q698 PolarHBondContact O-N 3.33Å; Q698-L700 PolarHBondContact O-N 2.88Å; Q698-L700 VanDerWaalsContact O-N 3.09Å; Q698-T701 CarbonylContact O-C 3.53Å; Q698-T701 WeakPolarHBondContact O-CA 3.37Å; Q698-T701 WeakPolarHBondContact O-CB 3.47Å; Q698-T701 PolarHBondContact O-N 3.38Å; Q698-D702 PolarHBondContact NE2-OD1 2.92Å; Q698-D702 PolarHBondContact O-N 2.69Å
699	D	92.7	Very high	92.9	Very high	70 Å²	70	65.5 Å²	65.5	37%	0.374	33%	0.332	S	S	.	.	H	α-helix	trans	-56.2	-28.5	176.4	-70.3	-18.5	0	0	0	111.8	K695 R703	K695-D699 WeakPolarHBondContact CE-OD2 3.44Å; K695-D699 WeakPolarHBondContact O-CB 3.29Å; K695-D699 VanDerWaalsContact O-CG 3.29Å; K695-D699 PolarHBondContact O-N 3.48Å; D699-R703 PolarHBondContact O-NE 3.21Å; D699-R703 PolarHBondContact O-NH2 3.34Å
700	L	92.1	Very high	92.9	Very high	12 Å²	12	64.2 Å²	64.2	6%	0.063	32%	0.321	C	S	.	.	H	α-helix	trans	-78.8	-40.3	171.1	-72.5	161.4	0	0	0	112.3	R72 Y137 M145 K696 L697 Q698 R703 D704	R72-L700 HydrophobicContact CG-CD2 4.44Å; R72-L700 VanDerWaalsContact CZ-CB 3.49Å; Y137-L700 HydrophobicContact CE1-CD1 4.08Å; M145-L700 HydrophobicContact CE-CD1 4Å; K696-L700 WeakPolarHBondContact O-CD1 3.39Å; K696-L700 WeakPolarHBondContact O-CG 3.45Å; K696-L700 PolarHBondContact O-N 3.32Å; L697-L700 HydrophobicContact CD2-CD1 4.41Å; Q698-L700 PolarHBondContact O-N 2.88Å; Q698-L700 VanDerWaalsContact O-N 3.09Å; L700-R703 WeakPolarHBondContact O-CB 3.25Å; L700-R703 PolarHBondContact O-N 2.99Å; L700-D704 PolarHBondContact O-N 3.01Å
701	T	92.1	Very high	92.8	Very high	17 Å²	17	66.9 Å²	66.9	10%	0.104	33%	0.333	C	S	.	.	H	α-helix	trans	-67.5	-39.4	-179.9	-54.2	0	0	0	0	112.1	R72 N148 L697 Q698 R703 D704 L705	R72-T701 PolarHBondContact NH2-OG1 2.64Å; N148-T701 PolarHBondContact ND2-OG1 3.2Å; L697-T701 PolarHBondContact O-N 3.31Å; L697-T701 VanDerWaalsContact O-N 3.1Å; L697-T701 PolarHBondContact O-OG1 2.87Å; Q698-T701 CarbonylContact O-C 3.53Å; Q698-T701 WeakPolarHBondContact O-CA 3.37Å; Q698-T701 WeakPolarHBondContact O-CB 3.47Å; Q698-T701 PolarHBondContact O-N 3.38Å; T701-R703 VanDerWaalsContact C-N 3.27Å; T701-R703 PolarHBondContact O-N 3.01Å; T701-D704 PolarHBondContact O-N 3.24Å; T701-L705 HydrophobicContact CG2-CD1 4.17Å; T701-L705 WeakPolarHBondContact O-CB 3.42Å; T701-L705 WeakPolarHBondContact O-CG 3.25Å; T701-L705 PolarHBondContact O-N 3.43Å
702	D	92	Very high	92.7	Very high	80 Å²	80	68 Å²	68	43%	0.428	33%	0.334	S	S	.	.	H	α-helix	trans	-66	-31.8	176.4	-64	-16.3	0	0	0	111.5	Q698 A706	Q698-D702 PolarHBondContact NE2-OD1 2.92Å; Q698-D702 PolarHBondContact O-N 2.69Å; D702-A706 WeakPolarHBondContact O-CB 2.77Å; D702-A706 PolarHBondContact O-N 3.44Å
703	R	90.8	Very high	92.7	Very high	111 Å²	111	65.4 Å²	65.4	42%	0.419	31%	0.314	S	S	.	.	H	α-helix	trans	-68.5	-46	171.5	-85.3	177.8	-79.3	169.2	-6.7	112.2	D699 L700 T701 L705 A706 K707	D699-R703 PolarHBondContact O-NE 3.21Å; D699-R703 PolarHBondContact O-NH2 3.34Å; L700-R703 WeakPolarHBondContact O-CB 3.25Å; L700-R703 PolarHBondContact O-N 2.99Å; T701-R703 VanDerWaalsContact C-N 3.27Å; T701-R703 PolarHBondContact O-N 3.01Å; R703-L705 PolarHBondContact O-N 3.15Å; R703-A706 PolarHBondContact O-N 3.13Å; R703-K707 WeakPolarHBondContact O-CB 3.4Å; R703-K707 PolarHBondContact O-N 3.07Å
704	D	90.4	Very high	92.7	Very high	22 Å²	22	65.5 Å²	65.5	12%	0.118	31%	0.313	C	S	.	.	H	α-helix	trans	-60.3	-45.9	177	-62.4	-27.6	0	0	0	110.9	R72 L700 T701 K707 Q708	R72-D704 IonicContact CZ-OD2 3.55Å; R72-D704 IonicContact NE-OD2 2.83Å; R72-D704 PolarHBondContact NE-OD2 2.94Å; R72-D704 IonicContact NH2-OD2 3.34Å; R72-D704 PolarHBondContact NH2-OD2 3.4Å; L700-D704 PolarHBondContact O-N 3.01Å; T701-D704 PolarHBondContact O-N 3.24Å; D704-K707 WeakPolarHBondContact O-CB 3.38Å; D704-K707 PolarHBondContact O-N 3.16Å; D704-Q708 WeakPolarHBondContact O-CG 3.35Å; D704-Q708 PolarHBondContact O-N 2.96Å
705	L	90	Very high	92.6	Very high	94 Å²	94	66.4 Å²	66.4	49%	0.492	32%	0.321	S	S	.	.	H	α-helix	trans	-64.4	-41.4	177.2	-70.6	171.3	0	0	0	112.5	T701 R703 K707 Q708 E709	T701-L705 HydrophobicContact CG2-CD1 4.17Å; T701-L705 WeakPolarHBondContact O-CB 3.42Å; T701-L705 WeakPolarHBondContact O-CG 3.25Å; T701-L705 PolarHBondContact O-N 3.43Å; R703-L705 PolarHBondContact O-N 3.15Å; L705-K707 VanDerWaalsContact C-N 3.32Å; L705-K707 PolarHBondContact O-N 3.44Å; L705-Q708 PolarHBondContact O-N 3.38Å; L705-E709 WeakPolarHBondContact O-CB 3.47Å; L705-E709 PolarHBondContact O-N 2.9Å
706	A	91.4	Very high	92.7	Very high	59 Å²	59	62.4 Å²	62.4	49%	0.488	31%	0.31	S	S	.	.	H	α-helix	trans	-64.1	-36.8	175.7	0	0	0	0	0	112.2	D702 R703 R710	D702-A706 WeakPolarHBondContact O-CB 2.77Å; D702-A706 PolarHBondContact O-N 3.44Å; R703-A706 PolarHBondContact O-N 3.13Å; A706-R710 VanDerWaalsContact O-CB 3.26Å; A706-R710 WeakPolarHBondContact O-CB 3.44Å; A706-R710 PolarHBondContact O-N 3.43Å; A706-R710 VanDerWaalsContact O-N 3.12Å
707	K	90.3	Very high	92.8	Very high	78 Å²	78	59.6 Å²	59.6	34%	0.339	30%	0.298	S	S	.	.	H	α-helix	trans	-64.6	-51.6	172	178.2	179.7	171.4	175.9	0	111	E71 R703 D704 L705 E709 R710 E711	E71-K707 IonicContact OE1-NZ 3.9Å; E71-K707 PolarHBondContact OE1-NZ 3.25Å; E71-K707 IonicContact OE2-NZ 2.77Å; R703-K707 WeakPolarHBondContact O-CB 3.4Å; R703-K707 PolarHBondContact O-N 3.07Å; D704-K707 WeakPolarHBondContact O-CB 3.38Å; D704-K707 PolarHBondContact O-N 3.16Å; L705-K707 VanDerWaalsContact C-N 3.32Å; L705-K707 PolarHBondContact O-N 3.44Å; K707-E709 PolarHBondContact O-N 2.97Å; K707-R710 CarbonylContact O-C 3.59Å; K707-R710 WeakPolarHBondContact O-CA 3.15Å; K707-R710 WeakPolarHBondContact O-CB 3.36Å; K707-R710 PolarHBondContact O-N 2.87Å; K707-E711 WeakPolarHBondContact CE-OE1 3.4Å; K707-E711 WeakPolarHBondContact CE-OE2 3.48Å; K707-E711 HydrophobicContact CG-CG 4.42Å; K707-E711 IonicContact NZ-OE1 3.26Å; K707-E711 WeakPolarHBondContact O-CG 3.34Å; K707-E711 PolarHBondContact O-N 3.5Å
708	Q	89.8	Confident	92.8	Very high	118 Å²	118	63.1 Å²	63.1	55%	0.551	31%	0.314	S	S	*	.	H	α-helix	trans	-58.9	-43	-179.3	-73.5	173.1	-1.8	0	0	112.6	D704 L705 R710 E711 K712	D704-Q708 WeakPolarHBondContact O-CG 3.35Å; D704-Q708 PolarHBondContact O-N 2.96Å; L705-Q708 PolarHBondContact O-N 3.38Å; Q708-R710 VanDerWaalsContact C-N 3.34Å; Q708-R710 PolarHBondContact O-N 2.91Å; Q708-E711 PolarHBondContact O-N 3.15Å; Q708-K712 WeakPolarHBondContact O-CB 3.29Å; Q708-K712 PolarHBondContact O-N 3.49Å
709	E	92.4	Very high	93	Very high	67 Å²	67	62.1 Å²	62.1	31%	0.313	32%	0.319	S	S	.	.	H	α-helix	trans	-66.1	-35.5	174.6	174.9	66.7	177.4	0	0	111.8	L705 K707 I713 T765 K769	L705-E709 WeakPolarHBondContact O-CB 3.47Å; L705-E709 PolarHBondContact O-N 2.9Å; K707-E709 PolarHBondContact O-N 2.97Å; E709-I713 WeakPolarHBondContact O-CB 3.26Å; E709-I713 WeakPolarHBondContact O-CG1 3.3Å; E709-I713 PolarHBondContact O-N 2.83Å; E709-I713 VanDerWaalsContact O-N 3.11Å; E709-T765 HydrophobicContact CG-CG2 4.03Å; E709-K769 VanDerWaalsContact OE1-CE 3.24Å; E709-K769 WeakPolarHBondContact OE1-CE 3.43Å; E709-K769 IonicContact OE1-NZ 3.67Å; E709-K769 PolarHBondContact OE1-NZ 2.98Å
710	R	93.7	Very high	93.2	Very high	43 Å²	43	59.7 Å²	59.7	16%	0.162	31%	0.305	C	S	.	.	H	α-helix	trans	-68	-34.3	175.3	-174.6	-109.5	168.9	-88.7	9.1	112.9	A706 K707 Q708 L714 G760 Y761 A763 T765 L768	A706-R710 VanDerWaalsContact O-CB 3.26Å; A706-R710 WeakPolarHBondContact O-CB 3.44Å; A706-R710 PolarHBondContact O-N 3.43Å; A706-R710 VanDerWaalsContact O-N 3.12Å; K707-R710 CarbonylContact O-C 3.59Å; K707-R710 WeakPolarHBondContact O-CA 3.15Å; K707-R710 WeakPolarHBondContact O-CB 3.36Å; K707-R710 PolarHBondContact O-N 2.87Å; Q708-R710 VanDerWaalsContact C-N 3.34Å; Q708-R710 PolarHBondContact O-N 2.91Å; R710-L714 PolarHBondContact O-N 2.84Å; R710-G760 PolarHBondContact NH2-O 2.99Å; R710-Y761 VanDerWaalsContact NH2-C 3.33Å; R710-Y761 PolarHBondContact NH2-O 2.79Å; R710-A763 PolarHBondContact NE-O 3.27Å; R710-A763 PolarHBondContact NH2-O 2.98Å; R710-T765 VanDerWaalsContact CB-OG1 3.27Å; R710-T765 WeakPolarHBondContact CB-OG1 3.24Å; R710-T765 WeakPolarHBondContact CG-OG1 3.34Å; R710-L768 HydrophobicContact CG-CD1 4.34Å; R710-L768 VanDerWaalsContact NH1-CD1 3.34Å
711	E	92.3	Very high	93.4	Very high	78 Å²	78	59.3 Å²	59.3	36%	0.364	30%	0.303	S	S	.	.	H	α-helix	trans	-77.5	-46.8	175.7	-70.4	172.7	152.1	0	0	111	K707 Q708 I713 L714 N715	K707-E711 WeakPolarHBondContact CE-OE1 3.4Å; K707-E711 WeakPolarHBondContact CE-OE2 3.48Å; K707-E711 HydrophobicContact CG-CG 4.42Å; K707-E711 IonicContact NZ-OE1 3.26Å; K707-E711 WeakPolarHBondContact O-CG 3.34Å; K707-E711 PolarHBondContact O-N 3.5Å; Q708-E711 PolarHBondContact O-N 3.15Å; E711-I713 PolarHBondContact O-N 2.87Å; E711-L714 WeakPolarHBondContact O-CB 3.25Å; E711-L714 PolarHBondContact O-N 2.88Å; E711-N715 PolarHBondContact O-N 3.33Å; E711-N715 PolarHBondContact O-OD1 3.19Å
712	K	93.5	Very high	93.6	Very high	135 Å²	135	63.9 Å²	63.9	59%	0.587	32%	0.322	S	S	*	.	H	α-helix	trans	-52.3	-41.5	174.5	-178.4	178.6	-178.1	178.3	0	112.6	Q708 S716	Q708-K712 WeakPolarHBondContact O-CB 3.29Å; Q708-K712 PolarHBondContact O-N 3.49Å; K712-S716 VanDerWaalsContact O-CB 3.28Å; K712-S716 WeakPolarHBondContact O-CB 3.38Å; K712-S716 PolarHBondContact O-N 3.34Å; K712-S716 PolarHBondContact O-OG 3.22Å
713	I	95.4	Very high	93.8	Very high	23 Å²	23	64.8 Å²	64.8	12%	0.118	32%	0.323	C	S	.	.	H	α-helix	trans	-75.9	-33.6	178.1	-63.7	-69.3	0	0	0	112.4	E709 E711 S716 L717 T765 L768 K769	E709-I713 WeakPolarHBondContact O-CB 3.26Å; E709-I713 WeakPolarHBondContact O-CG1 3.3Å; E709-I713 PolarHBondContact O-N 2.83Å; E709-I713 VanDerWaalsContact O-N 3.11Å; E711-I713 PolarHBondContact O-N 2.87Å; I713-S716 PolarHBondContact O-N 2.83Å; I713-L717 WeakPolarHBondContact O-CB 3.37Å; I713-L717 PolarHBondContact O-N 2.88Å; I713-T765 HydrophobicContact CG1-CG2 4.45Å; I713-L768 HydrophobicContact CG2-CB 3.67Å; I713-K769 HydrophobicContact CD1-CD 4.49Å; I713-K769 HydrophobicContact CD1-CG 4.15Å; I713-K769 HydrophobicContact CG1-CG 4.24Å; I713-K769 HydrophobicContact CG2-CG 3.76Å
714	L	94.9	Very high	94	Very high	18 Å²	18	59.6 Å²	59.6	9%	0.094	30%	0.304	C	S	.	.	H	α-helix	trans	-60	-53.6	171.9	-179.2	69.4	0	0	0	110.1	R710 E711 S716 L717 E718 L756 L768	R710-L714 PolarHBondContact O-N 2.84Å; E711-L714 WeakPolarHBondContact O-CB 3.25Å; E711-L714 PolarHBondContact O-N 2.88Å; L714-S716 PolarHBondContact O-N 2.8Å; L714-L717 WeakPolarHBondContact O-CA 3.27Å; L714-L717 WeakPolarHBondContact O-CB 3.04Å; L714-L717 PolarHBondContact O-N 3.2Å; L714-E718 PolarHBondContact O-N 3.14Å; L714-L756 HydrophobicContact CD1-CD1 3.78Å; L714-L756 HydrophobicContact CD1-CD2 4.47Å; L714-L756 HydrophobicContact CD1-CG 3.97Å; L714-L768 HydrophobicContact CB-CD1 4.18Å; L714-L768 HydrophobicContact CD1-CD1 4.4Å; L714-L768 HydrophobicContact CD1-CD2 3.67Å
715	N	95	Very high	94.2	Very high	94 Å²	94	62.5 Å²	62.5	50%	0.503	32%	0.317	S	S	.	.	H	α-helix	trans	-62.1	-33.7	178.9	-57.8	15.6	0	0	0	111	E711 L717 A719	E711-N715 PolarHBondContact O-N 3.33Å; E711-N715 PolarHBondContact O-OD1 3.19Å; N715-L717 VanDerWaalsContact C-N 3.31Å; N715-L717 PolarHBondContact O-N 2.83Å; N715-A719 WeakPolarHBondContact O-CB 3.34Å; N715-A719 PolarHBondContact O-N 3.24Å
716	S	96.3	Very high	94.4	Very high	48 Å²	48	62.6 Å²	62.6	34%	0.336	32%	0.318	S	S	.	.	H	α-helix	trans	-70.7	-22.5	174.1	-62.1	0	0	0	0	114.1	K712 I713 L714 F720	K712-S716 VanDerWaalsContact O-CB 3.28Å; K712-S716 WeakPolarHBondContact O-CB 3.38Å; K712-S716 PolarHBondContact O-N 3.34Å; K712-S716 PolarHBondContact O-OG 3.22Å; I713-S716 PolarHBondContact O-N 2.83Å; L714-S716 PolarHBondContact O-N 2.8Å; S716-F720 VanDerWaalsContact O-CB 3.27Å; S716-F720 WeakPolarHBondContact O-CB 3.41Å; S716-F720 PolarHBondContact O-N 2.73Å
717	L	95.9	Very high	94.5	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-83.3	-50	174.3	171.7	58.7	0	0	0	110.3	I713 L714 N715 F720 I721 W755 L756 L768 K771 L772 L775	I713-L717 WeakPolarHBondContact O-CB 3.37Å; I713-L717 PolarHBondContact O-N 2.88Å; L714-L717 WeakPolarHBondContact O-CA 3.27Å; L714-L717 WeakPolarHBondContact O-CB 3.04Å; L714-L717 PolarHBondContact O-N 3.2Å; N715-L717 VanDerWaalsContact C-N 3.31Å; N715-L717 PolarHBondContact O-N 2.83Å; L717-F720 PolarHBondContact O-N 2.94Å; L717-I721 HydrophobicContact CD1-CD1 3.99Å; L717-I721 HydrophobicContact CD1-CG1 4.32Å; L717-I721 HydrophobicContact CG-CD1 4.12Å; L717-I721 WeakPolarHBondContact O-CG1 3.3Å; L717-I721 PolarHBondContact O-N 3.44Å; L717-W755 HydrophobicContact CD2-CZ3 4.1Å; L717-L756 HydrophobicContact CD2-CD1 4.14Å; L717-L756 HydrophobicContact CG-CD1 4.11Å; L717-L768 HydrophobicContact CD2-CD2 3.94Å; L717-K771 HydrophobicContact CD1-CB 4.44Å; L717-K771 HydrophobicContact CD2-CB 3.99Å; L717-L772 HydrophobicContact CB-CB 4.42Å; L717-L772 HydrophobicContact CD1-CB 4.06Å; L717-L772 HydrophobicContact CD1-CD1 4.19Å; L717-L775 HydrophobicContact CD1-CD1 3.75Å
718	E	95.2	Very high	94.6	Very high	81 Å²	81	58.1 Å²	58.1	38%	0.379	29%	0.287	S	S	.	.	H	α-helix	trans	-54.9	-53	174.9	-176.4	-176.8	-175.7	0	0	111.7	L714 F720 I721 F722 L756	L714-E718 PolarHBondContact O-N 3.14Å; E718-F720 VanDerWaalsContact C-N 3.3Å; E718-F720 PolarHBondContact O-N 2.76Å; E718-I721 WeakPolarHBondContact O-CB 3.44Å; E718-I721 PolarHBondContact O-N 2.73Å; E718-I721 VanDerWaalsContact O-N 3.1Å; E718-F722 HydrophobicContact CG-CD2 4.02Å; E718-F722 HydrophobicContact CG-CE2 3.64Å; E718-F722 WeakPolarHBondContact O-CD2 3.24Å; E718-F722 PolarHBondContact O-N 3.4Å; E718-F722 VanDerWaalsContact O-N 3.16Å; E718-L756 HydrophobicContact CB-CD1 4.2Å
719	A	96.9	Very high	94.7	Very high	56 Å²	56	58.7 Å²	58.7	46%	0.463	29%	0.286	S	S	.	.	H	α-helix	trans	-61.2	-37.5	177	0	0	0	0	0	112.3	N715 I721 E723	N715-A719 WeakPolarHBondContact O-CB 3.34Å; N715-A719 PolarHBondContact O-N 3.24Å; A719-I721 VanDerWaalsContact C-N 3.32Å; A719-I721 PolarHBondContact O-N 2.8Å; A719-E723 WeakPolarHBondContact O-CB 3.49Å; A719-E723 PolarHBondContact O-N 3.1Å
720	F	97.3	Very high	94.8	Very high	20 Å²	20	58.5 Å²	58.5	9%	0.088	28%	0.284	C	S	.	.	H	α-helix	trans	-66.7	-33.9	176.5	-175.1	-89.5	0	0	0	112.3	S716 L717 E718 T724 L772 L775 K776 C779 F783	S716-F720 VanDerWaalsContact O-CB 3.27Å; S716-F720 WeakPolarHBondContact O-CB 3.41Å; S716-F720 PolarHBondContact O-N 2.73Å; L717-F720 PolarHBondContact O-N 2.94Å; E718-F720 VanDerWaalsContact C-N 3.3Å; E718-F720 PolarHBondContact O-N 2.76Å; F720-T724 WeakPolarHBondContact CE1-OG1 3.19Å; F720-T724 WeakPolarHBondContact CZ-OG1 3.33Å; F720-T724 WeakPolarHBondContact O-CB 3.44Å; F720-T724 PolarHBondContact O-N 3.36Å; F720-T724 PolarHBondContact O-OG1 3.08Å; F720-L772 HydrophobicContact CB-CD1 3.7Å; F720-L772 HydrophobicContact CD1-CD1 4.04Å; F720-L772 HydrophobicContact CD2-CD1 4.39Å; F720-L772 HydrophobicContact CG-CD1 3.76Å; F720-L775 HydrophobicContact CD1-CB 4Å; F720-L775 HydrophobicContact CD1-CD1 4.3Å; F720-L775 HydrophobicContact CE1-CB 3.65Å; F720-K776 HydrophobicContact CD2-CD 4.45Å; F720-K776 VanDerWaalsContact CD2-CE 3.48Å; F720-K776 HydrophobicContact CD2-CG 4.01Å; F720-K776 HydrophobicContact CE1-CG 4.1Å; F720-K776 HydrophobicContact CE2-CD 4.28Å; F720-K776 HydrophobicContact CE2-CG 3.48Å; F720-K776 VanDerWaalsContact CE2-CG 3.48Å; F720-K776 HydrophobicContact CZ-CB 4.37Å; F720-K776 HydrophobicContact CZ-CG 3.54Å; F720-C779 HydrophobicContact CZ-CB 4.33Å; F720-F783 AromaticContact CE2-CE2 3.96Å; F720-F783 HydrophobicContact CE2-CE2 3.96Å; F720-F783 AromaticContact CZ-CE2 3.88Å; F720-F783 HydrophobicContact CZ-CE2 3.88Å
721	I	96.2	Very high	94.6	Very high	3 Å²	3	63.3 Å²	63.3	2%	0.015	31%	0.309	C	S	.	.	H	α-helix	trans	-64.4	-56.5	176.6	-70.4	162	0	0	0	109.9	L717 E718 A719 T724 Q725 L749 A752 L775	L717-I721 HydrophobicContact CD1-CD1 3.99Å; L717-I721 HydrophobicContact CD1-CG1 4.32Å; L717-I721 HydrophobicContact CG-CD1 4.12Å; L717-I721 WeakPolarHBondContact O-CG1 3.3Å; L717-I721 PolarHBondContact O-N 3.44Å; E718-I721 WeakPolarHBondContact O-CB 3.44Å; E718-I721 PolarHBondContact O-N 2.73Å; E718-I721 VanDerWaalsContact O-N 3.1Å; A719-I721 VanDerWaalsContact C-N 3.32Å; A719-I721 PolarHBondContact O-N 2.8Å; I721-T724 PolarHBondContact O-N 2.88Å; I721-Q725 WeakPolarHBondContact O-CB 3.46Å; I721-Q725 PolarHBondContact O-N 3.03Å; I721-L749 HydrophobicContact CG1-CD2 4.46Å; I721-L749 HydrophobicContact CG2-CB 4.4Å; I721-A752 HydrophobicContact CD1-CB 3.84Å; I721-A752 HydrophobicContact CG1-CB 4.37Å; I721-L775 HydrophobicContact CD1-CD1 4.34Å; I721-L775 HydrophobicContact CG1-CD1 3.77Å
722	F	95.3	Very high	94.6	Very high	113 Å²	113	62.5 Å²	62.5	50%	0.496	31%	0.307	S	S	.	.	H	α-helix	trans	-64.9	-43.2	-178.9	-65.5	-58.2	0	0	0	112.9	E718 T724 Q725 D726	E718-F722 HydrophobicContact CG-CD2 4.02Å; E718-F722 HydrophobicContact CG-CE2 3.64Å; E718-F722 WeakPolarHBondContact O-CD2 3.24Å; E718-F722 PolarHBondContact O-N 3.4Å; E718-F722 VanDerWaalsContact O-N 3.16Å; F722-T724 VanDerWaalsContact C-N 3.34Å; F722-T724 PolarHBondContact O-N 2.93Å; F722-Q725 PolarHBondContact O-N 2.81Å; F722-D726 PolarHBondContact O-N 2.97Å
723	E	96	Very high	94.5	Very high	100 Å²	100	56.2 Å²	56.2	47%	0.467	28%	0.28	S	S	.	.	H	α-helix	trans	-66.5	-34.9	179.7	-163.8	-148.8	-170.2	0	0	111.9	A719 K727	A719-E723 WeakPolarHBondContact O-CB 3.49Å; A719-E723 PolarHBondContact O-N 3.1Å; E723-K727 VanDerWaalsContact CD-CE 3.44Å; E723-K727 HydrophobicContact CG-CD 4.44Å; E723-K727 WeakPolarHBondContact O-CB 3.48Å; E723-K727 WeakPolarHBondContact O-CD 3.4Å; E723-K727 WeakPolarHBondContact O-CG 3.36Å; E723-K727 PolarHBondContact O-N 3.04Å; E723-K727 VanDerWaalsContact O-N 3.11Å; E723-K727 VanDerWaalsContact OE1-CE 3.24Å; E723-K727 WeakPolarHBondContact OE1-CE 3.28Å; E723-K727 IonicContact OE1-NZ 2.7Å; E723-K727 PolarHBondContact OE1-NZ 3.38Å; E723-K727 IonicContact OE2-NZ 3.64Å; E723-K727 PolarHBondContact OE2-NZ 2.88Å
724	T	95.8	Very high	94.3	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.006	30%	0.296	C	S	.	.	H	α-helix	trans	-72.4	-38.6	174.2	-56.5	0	0	0	0	111.5	F720 I721 F722 K727 L728 I745 L749 C779 F783	F720-T724 WeakPolarHBondContact CE1-OG1 3.19Å; F720-T724 WeakPolarHBondContact CZ-OG1 3.33Å; F720-T724 WeakPolarHBondContact O-CB 3.44Å; F720-T724 PolarHBondContact O-N 3.36Å; F720-T724 PolarHBondContact O-OG1 3.08Å; I721-T724 PolarHBondContact O-N 2.88Å; F722-T724 VanDerWaalsContact C-N 3.34Å; F722-T724 PolarHBondContact O-N 2.93Å; T724-K727 PolarHBondContact O-N 3.45Å; T724-L728 HydrophobicContact CG2-CD1 4.39Å; T724-L728 WeakPolarHBondContact O-CG 3.42Å; T724-L728 PolarHBondContact O-N 3.49Å; T724-L728 VanDerWaalsContact O-N 3.14Å; T724-I745 HydrophobicContact CG2-CG2 4.22Å; T724-L749 HydrophobicContact CG2-CD1 3.73Å; T724-L749 HydrophobicContact CG2-CD2 4.18Å; T724-L749 HydrophobicContact CG2-CG 4.49Å; T724-C779 HydrophobicContact CG2-CB 4.49Å; T724-F783 HydrophobicContact CG2-CE1 4.48Å; T724-F783 HydrophobicContact CG2-CZ 3.84Å
725	Q	94.4	Very high	94	Very high	83 Å²	83	64 Å²	64	39%	0.388	32%	0.315	S	S	.	.	H	α-helix	trans	-61	-46.9	177.3	-174.1	177.3	4.2	0	0	111.3	I721 F722 Y729 L746 L749	I721-Q725 WeakPolarHBondContact O-CB 3.46Å; I721-Q725 PolarHBondContact O-N 3.03Å; F722-Q725 PolarHBondContact O-N 2.81Å; Q725-Y729 HydrophobicContact CG-CE2 4.34Å; Q725-Y729 WeakPolarHBondContact O-CD2 3.46Å; Q725-L746 HydrophobicContact CG-CD2 4.11Å; Q725-L749 HydrophobicContact CB-CD1 4.25Å
726	D	94.6	Very high	93.9	Very high	97 Å²	97	59.5 Å²	59.5	52%	0.519	29%	0.291	S	S	.	.	H	α-helix	trans	-60.2	-49.8	173.8	177.2	84.9	0	0	0	111.9	F722 L728 Y729 Q730	F722-D726 PolarHBondContact O-N 2.97Å; D726-L728 PolarHBondContact O-N 3.1Å; D726-L728 VanDerWaalsContact O-N 3.15Å; D726-Y729 PolarHBondContact O-N 3.3Å; D726-Q730 PolarHBondContact OD2-NE2 3.27Å
727	K	94.1	Very high	93.7	Very high	41 Å²	41	57.5 Å²	57.5	18%	0.178	28%	0.277	C	S	.	.	H	α-helix	trans	-51.1	-42.5	-179.7	-82.6	169.5	-174.7	169.4	0	112.9	E723 T724 Y729 Q730 H733 F783	E723-K727 VanDerWaalsContact CD-CE 3.44Å; E723-K727 HydrophobicContact CG-CD 4.44Å; E723-K727 WeakPolarHBondContact O-CB 3.48Å; E723-K727 WeakPolarHBondContact O-CD 3.4Å; E723-K727 WeakPolarHBondContact O-CG 3.36Å; E723-K727 PolarHBondContact O-N 3.04Å; E723-K727 VanDerWaalsContact O-N 3.11Å; E723-K727 VanDerWaalsContact OE1-CE 3.24Å; E723-K727 WeakPolarHBondContact OE1-CE 3.28Å; E723-K727 IonicContact OE1-NZ 2.7Å; E723-K727 PolarHBondContact OE1-NZ 3.38Å; E723-K727 IonicContact OE2-NZ 3.64Å; E723-K727 PolarHBondContact OE2-NZ 2.88Å; T724-K727 PolarHBondContact O-N 3.45Å; K727-Y729 PolarHBondContact O-N 3.38Å; K727-Y729 VanDerWaalsContact O-N 3.14Å; K727-Q730 WeakPolarHBondContact O-CB 3.36Å; K727-Q730 PolarHBondContact O-N 2.92Å; K727-H733 WeakPolarHBondContact O-CB 3.38Å; K727-H733 PolarHBondContact O-ND1 2.83Å; K727-F783 HydrophobicContact CB-CE1 4.32Å; K727-F783 HydrophobicContact CD-CE1 3.73Å; K727-F783 HydrophobicContact CD-CZ 3.91Å
728	L	92.6	Very high	93.6	Very high	2 Å²	2	59.6 Å²	59.6	1%	0.01	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-13.9	180	-70.1	170.9	0	0	0	114.5	T724 D726 V737 Q742 I745 L746 L749	T724-L728 HydrophobicContact CG2-CD1 4.39Å; T724-L728 WeakPolarHBondContact O-CG 3.42Å; T724-L728 PolarHBondContact O-N 3.49Å; T724-L728 VanDerWaalsContact O-N 3.14Å; D726-L728 PolarHBondContact O-N 3.1Å; D726-L728 VanDerWaalsContact O-N 3.15Å; L728-V737 HydrophobicContact CD2-CG2 4.41Å; L728-Q742 PolarHBondContact O-NE2 2.97Å; L728-I745 HydrophobicContact CD1-CB 4.08Å; L728-I745 HydrophobicContact CD1-CG2 3.65Å; L728-I745 HydrophobicContact CD2-CD1 4.46Å; L728-L746 HydrophobicContact CD1-CD2 3.86Å; L728-L746 HydrophobicContact CD1-CG 4.01Å; L728-L749 HydrophobicContact CD1-CD1 4.31Å
729	Y	91.4	Very high	93.3	Very high	130 Å²	130	64 Å²	64	51%	0.51	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-5	171.7	-63.6	-72.5	0	0	0	113.9	Q725 D726 K727 Q734	Q725-Y729 HydrophobicContact CG-CE2 4.34Å; Q725-Y729 WeakPolarHBondContact O-CD2 3.46Å; D726-Y729 PolarHBondContact O-N 3.3Å; K727-Y729 PolarHBondContact O-N 3.38Å; K727-Y729 VanDerWaalsContact O-N 3.14Å; Y729-Q734 PolarHBondContact O-NE2 3.46Å
730	Q	93.2	Very high	93	Very high	62 Å²	62	69 Å²	69	29%	0.29	32%	0.324	S	S	.	.	S	Bend	trans	-77.2	140.4	174	-57.2	175.3	7.7	0	0	110.8	D726 K727 D732 H733 Q734	D726-Q730 PolarHBondContact OD2-NE2 3.27Å; K727-Q730 WeakPolarHBondContact O-CB 3.36Å; K727-Q730 PolarHBondContact O-N 2.92Å; Q730-D732 VanDerWaalsContact C-N 3.3Å; Q730-D732 PolarHBondContact O-N 2.85Å; Q730-H733 PolarHBondContact O-N 3.08Å; Q730-Q734 PolarHBondContact O-N 3.22Å; Q730-Q734 VanDerWaalsContact O-N 3.1Å
731	E	90.8	Very high	92.7	Very high	145 Å²	145	70.4 Å²	70.4	68%	0.678	33%	0.331	S	S	*	.	H	α-helix	trans	-51.8	-44.2	-175.3	-63.2	-173.9	176.2	0	0	113.1	H733 Q734 Q735	E731-H733 PolarHBondContact O-N 3.42Å; E731-Q734 PolarHBondContact O-N 3.41Å; E731-Q735 WeakPolarHBondContact O-CB 3.3Å; E731-Q735 VanDerWaalsContact O-CG 3.26Å; E731-Q735 WeakPolarHBondContact O-CG 3.42Å; E731-Q735 PolarHBondContact O-N 2.9Å
732	D	91.1	Very high	92.5	Very high	60 Å²	60	72.1 Å²	72.1	32%	0.321	34%	0.339	S	S	.	.	H	α-helix	trans	-57.4	-33.4	179.3	-59.5	-15.8	0	0	0	113.6	Q730 V786 R790	Q730-D732 VanDerWaalsContact C-N 3.3Å; Q730-D732 PolarHBondContact O-N 2.85Å; D732-V786 HydrophobicContact CB-CG1 4.06Å; D732-V786 WeakPolarHBondContact O-CG2 3.29Å; D732-R790 IonicContact OD2-CZ 3.54Å; D732-R790 IonicContact OD2-NE 3.44Å; D732-R790 PolarHBondContact OD2-NE 3.27Å; D732-R790 IonicContact OD2-NH2 2.92Å; D732-R790 PolarHBondContact OD2-NH2 2.86Å
733	H	92.4	Very high	92.4	Very high	4 Å²	4	73.7 Å²	73.7	2%	0.019	35%	0.348	C	S	.	.	H	α-helix	trans	-84	-42.3	179.7	-63.6	83.6	0	0	0	110.6	K727 Q730 E731 Q735 V736 V737 F783 V786	K727-H733 WeakPolarHBondContact O-CB 3.38Å; K727-H733 PolarHBondContact O-ND1 2.83Å; Q730-H733 PolarHBondContact O-N 3.08Å; E731-H733 PolarHBondContact O-N 3.42Å; H733-Q735 PolarHBondContact O-N 3.01Å; H733-V736 WeakPolarHBondContact O-CG2 3.42Å; H733-V736 PolarHBondContact O-N 3.41Å; H733-V737 WeakPolarHBondContact O-CG1 3.25Å; H733-V737 PolarHBondContact O-N 2.89Å; H733-F783 AromaticContact NE2-CD1 3.83Å; H733-F783 AromaticContact NE2-CE1 3.89Å; H733-V786 HydrophobicContact CB-CG2 4.38Å
734	Q	91.2	Very high	92.4	Very high	96 Å²	96	74.4 Å²	74.4	45%	0.449	35%	0.351	S	S	.	.	H	α-helix	trans	-57.1	-35.1	173.2	-68.4	-179	-10	0	0	112.1	Y729 Q730 E731 V736	Y729-Q734 PolarHBondContact O-NE2 3.46Å; Q730-Q734 PolarHBondContact O-N 3.22Å; Q730-Q734 VanDerWaalsContact O-N 3.1Å; E731-Q734 PolarHBondContact O-N 3.41Å; Q734-V736 PolarHBondContact O-N 2.94Å
735	Q	89.1	Confident	92.4	Very high	108 Å²	108	74.6 Å²	74.6	51%	0.505	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-18.1	174.9	-75.7	172.6	46.1	0	0	114.3	E731 H733 P854	E731-Q735 WeakPolarHBondContact O-CB 3.3Å; E731-Q735 VanDerWaalsContact O-CG 3.26Å; E731-Q735 WeakPolarHBondContact O-CG 3.42Å; E731-Q735 PolarHBondContact O-N 2.9Å; H733-Q735 PolarHBondContact O-N 3.01Å; Q735-P854 WeakPolarHBondContact O-CB 3.2Å
736	V	92.2	Very high	92.4	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127	-10.3	-172.7	-53.3	0	0	0	0	115.6	H733 Q734 V782 R785 V786 R789 H855	H733-V736 WeakPolarHBondContact O-CG2 3.42Å; H733-V736 PolarHBondContact O-N 3.41Å; Q734-V736 PolarHBondContact O-N 2.94Å; V736-V782 HydrophobicContact CG2-CG1 4.21Å; V736-R785 HydrophobicContact CB-CB 3.77Å; V736-R785 HydrophobicContact CB-CG 4.49Å; V736-R785 HydrophobicContact CG1-CB 4.09Å; V736-R785 HydrophobicContact CG2-CB 3.79Å; V736-R785 WeakPolarHBondContact O-CD 3.28Å; V736-R785 PolarHBondContact O-NH1 3.42Å; V736-V786 HydrophobicContact CG2-CG2 3.45Å; V736-V786 VanDerWaalsContact CG2-CG2 3.45Å; V736-R789 VanDerWaalsContact CG1-CD 3.44Å; V736-R789 VanDerWaalsContact CG1-NE 3.25Å; V736-H855 WeakPolarHBondContact O-CA 3.46Å; V736-H855 PolarHBondContact O-ND1 2.72Å; V736-H855 VanDerWaalsContact O-ND1 3.14Å
737	V	93.1	Very high	92.5	Very high	6 Å²	6	71.5 Å²	71.5	4%	0.036	34%	0.343	C	S	.	.	S	Bend	trans	-94.3	144.4	174	75.9	0	0	0	0	109.8	L728 H733 E741 Q742 V782 H855	L728-V737 HydrophobicContact CD2-CG2 4.41Å; H733-V737 WeakPolarHBondContact O-CG1 3.25Å; H733-V737 PolarHBondContact O-N 2.89Å; V737-E741 HydrophobicContact CG2-CB 3.56Å; V737-Q742 HydrophobicContact CG1-CB 4.05Å; V737-Q742 HydrophobicContact CG1-CG 4.35Å; V737-Q742 HydrophobicContact CG2-CB 3.99Å; V737-V782 HydrophobicContact CB-CG1 4.19Å; V737-V782 HydrophobicContact CB-CG2 4.45Å; V737-V782 HydrophobicContact CG2-CG1 4.35Å; V737-V782 HydrophobicContact CG2-CG2 3.95Å; V737-H855 VanDerWaalsContact C-ND1 3.32Å; V737-H855 PolarHBondContact O-CE1 3.05Å; V737-H855 PolarHBondContact O-ND1 3.19Å; V737-H855 VanDerWaalsContact O-ND1 3.15Å
738	T	92.3	Very high	92.6	Very high	44 Å²	44	73.6 Å²	73.6	27%	0.27	35%	0.353	S	S	.	.			trans	-83.5	161.1	167.2	70.5	0	0	0	0	110.7	E740 E741 Q742 H855	T738-E740 PolarHBondContact O-N 3.18Å; T738-E741 PolarHBondContact N-OE2 3.47Å; T738-E741 PolarHBondContact O-N 3.3Å; T738-E741 WeakPolarHBondContact OG1-CB 3.45Å; T738-E741 WeakPolarHBondContact OG1-CG 3.14Å; T738-E741 PolarHBondContact OG1-N 2.81Å; T738-Q742 WeakPolarHBondContact O-CB 3.26Å; T738-Q742 PolarHBondContact O-N 2.94Å; T738-H855 HydrophobicContact CG2-CB 3.93Å
739	E	89.4	Confident	92.8	Very high	173 Å²	173	73.7 Å²	73.7	81%	0.808	35%	0.353	S	S	*	.	H	α-helix	trans	-56.9	-40.3	174.3	-63.5	-179	165.2	0	0	111.4	Q742 E743	E739-Q742 PolarHBondContact O-N 2.68Å; E739-E743 WeakPolarHBondContact O-CB 3.41Å; E739-E743 PolarHBondContact O-N 3.47Å
740	E	90.6	Very high	93	Very high	161 Å²	161	73.7 Å²	73.7	75%	0.752	36%	0.356	S	S	*	.	H	α-helix	trans	-65.1	-44	176.1	-61.9	-177.9	168.4	0	0	112.7	T738 Q742 Q744	T738-E740 PolarHBondContact O-N 3.18Å; E740-Q742 VanDerWaalsContact C-N 3.34Å; E740-Q744 VanDerWaalsContact O-CB 3.28Å; E740-Q744 WeakPolarHBondContact O-CB 3.34Å; E740-Q744 PolarHBondContact O-N 3.15Å
741	E	91.4	Very high	93.2	Very high	50 Å²	50	75 Å²	75	23%	0.234	36%	0.362	C	S	.	.	H	α-helix	trans	-64.3	-39.9	174.7	-75.5	178.4	141.2	0	0	111.2	V737 T738 Q744 I745 R785	V737-E741 HydrophobicContact CG2-CB 3.56Å; T738-E741 PolarHBondContact N-OE2 3.47Å; T738-E741 PolarHBondContact O-N 3.3Å; T738-E741 WeakPolarHBondContact OG1-CB 3.45Å; T738-E741 WeakPolarHBondContact OG1-CG 3.14Å; T738-E741 PolarHBondContact OG1-N 2.81Å; E741-Q744 PolarHBondContact O-N 3.44Å; E741-I745 WeakPolarHBondContact O-CB 3.47Å; E741-I745 WeakPolarHBondContact O-CD1 3.43Å; E741-I745 WeakPolarHBondContact O-CG1 3.37Å; E741-I745 PolarHBondContact O-N 3.49Å; E741-R785 IonicContact OE1-CZ 3.87Å; E741-R785 IonicContact OE1-NH1 2.98Å; E741-R785 PolarHBondContact OE1-NH1 2.72Å; E741-R785 IonicContact OE1-NH2 3Å; E741-R785 PolarHBondContact OE1-NH2 2.83Å; E741-R785 IonicContact OE2-CZ 2.75Å; E741-R785 IonicContact OE2-NH1 2.75Å; E741-R785 PolarHBondContact OE2-NH1 2.78Å; E741-R785 IonicContact OE2-NH2 3.63Å
742	Q	92	Very high	93.4	Very high	38 Å²	38	68.1 Å²	68.1	18%	0.178	33%	0.33	C	S	.	.	H	α-helix	trans	-68	-45.9	-179.3	-168.6	179.4	16	0	0	111.3	L728 V737 T738 E739 E740 I745 L746	L728-Q742 PolarHBondContact O-NE2 2.97Å; V737-Q742 HydrophobicContact CG1-CB 4.05Å; V737-Q742 HydrophobicContact CG1-CG 4.35Å; V737-Q742 HydrophobicContact CG2-CB 3.99Å; T738-Q742 WeakPolarHBondContact O-CB 3.26Å; T738-Q742 PolarHBondContact O-N 2.94Å; E739-Q742 PolarHBondContact O-N 2.68Å; E740-Q742 VanDerWaalsContact C-N 3.34Å; Q742-I745 PolarHBondContact O-N 3.05Å; Q742-L746 HydrophobicContact CG-CD1 3.98Å; Q742-L746 HydrophobicContact CG-CG 4.47Å; Q742-L746 WeakPolarHBondContact O-CB 3.21Å; Q742-L746 VanDerWaalsContact O-CG 3.28Å; Q742-L746 WeakPolarHBondContact O-CG 3.28Å; Q742-L746 PolarHBondContact O-N 2.86Å
743	E	93.6	Very high	93.6	Very high	146 Å²	146	66.6 Å²	66.6	68%	0.682	32%	0.324	S	S	*	.	H	α-helix	trans	-62.5	-43.2	174.4	-173.7	176.9	-164.1	0	0	111	E739 I745 L746 S747	E739-E743 WeakPolarHBondContact O-CB 3.41Å; E739-E743 PolarHBondContact O-N 3.47Å; E743-I745 PolarHBondContact O-N 3.47Å; E743-L746 PolarHBondContact O-N 3.43Å; E743-S747 WeakPolarHBondContact O-CB 3.31Å; E743-S747 PolarHBondContact O-N 2.92Å
744	Q	95.1	Very high	93.7	Very high	116 Å²	116	69.9 Å²	69.9	54%	0.542	34%	0.342	S	S	.	.	H	α-helix	trans	-60.8	-44	177.2	-172.7	-178.9	40.2	0	0	112.2	E740 E741 K748	E740-Q744 VanDerWaalsContact O-CB 3.28Å; E740-Q744 WeakPolarHBondContact O-CB 3.34Å; E740-Q744 PolarHBondContact O-N 3.15Å; E741-Q744 PolarHBondContact O-N 3.44Å; Q744-K748 WeakPolarHBondContact O-CB 3.49Å; Q744-K748 WeakPolarHBondContact O-CG 3.47Å; Q744-K748 PolarHBondContact O-N 2.91Å; Q744-K748 VanDerWaalsContact O-N 3.13Å
745	I	95.4	Very high	93.9	Very high	5 Å²	5	66.9 Å²	66.9	3%	0.026	33%	0.326	C	S	.	.	H	α-helix	trans	-67.8	-51.6	177.8	-64	160.7	0	0	0	110.3	T724 L728 E741 Q742 E743 S747 K748 L749 L778 V782	T724-I745 HydrophobicContact CG2-CG2 4.22Å; L728-I745 HydrophobicContact CD1-CB 4.08Å; L728-I745 HydrophobicContact CD1-CG2 3.65Å; L728-I745 HydrophobicContact CD2-CD1 4.46Å; E741-I745 WeakPolarHBondContact O-CB 3.47Å; E741-I745 WeakPolarHBondContact O-CD1 3.43Å; E741-I745 WeakPolarHBondContact O-CG1 3.37Å; E741-I745 PolarHBondContact O-N 3.49Å; Q742-I745 PolarHBondContact O-N 3.05Å; E743-I745 PolarHBondContact O-N 3.47Å; I745-S747 VanDerWaalsContact C-N 3.29Å; I745-S747 PolarHBondContact O-N 3.36Å; I745-K748 CarbonylContact O-C 3.56Å; I745-K748 PolarHBondContact O-N 3.46Å; I745-L749 HydrophobicContact CG2-CD1 3.95Å; I745-L749 HydrophobicContact CG2-CG 3.98Å; I745-L749 WeakPolarHBondContact O-CG 3.35Å; I745-L749 PolarHBondContact O-N 3.5Å; I745-L778 HydrophobicContact CB-CD2 4.33Å; I745-L778 HydrophobicContact CG1-CD2 3.89Å; I745-L778 HydrophobicContact CG1-CG 3.94Å; I745-V782 HydrophobicContact CD1-CG2 4.01Å
746	L	95.2	Very high	94.1	Very high	41 Å²	41	62.3 Å²	62.3	22%	0.215	31%	0.305	C	S	.	.	H	α-helix	trans	-58	-40.6	-179.8	-71.7	172.3	0	0	0	112.1	Q725 L728 Q742 E743 L749 K750	Q725-L746 HydrophobicContact CG-CD2 4.11Å; L728-L746 HydrophobicContact CD1-CD2 3.86Å; L728-L746 HydrophobicContact CD1-CG 4.01Å; Q742-L746 HydrophobicContact CG-CD1 3.98Å; Q742-L746 HydrophobicContact CG-CG 4.47Å; Q742-L746 WeakPolarHBondContact O-CB 3.21Å; Q742-L746 VanDerWaalsContact O-CG 3.28Å; Q742-L746 WeakPolarHBondContact O-CG 3.28Å; Q742-L746 PolarHBondContact O-N 2.86Å; E743-L746 PolarHBondContact O-N 3.43Å; L746-L749 HydrophobicContact CD2-CD1 4.47Å; L746-L749 PolarHBondContact O-N 2.84Å; L746-K750 WeakPolarHBondContact O-CB 3.41Å; L746-K750 PolarHBondContact O-N 3.46Å
747	S	96.3	Very high	94.1	Very high	73 Å²	73	67.8 Å²	67.8	51%	0.51	33%	0.334	S	S	.	.	H	α-helix	trans	-60.5	-43.5	174	-176.8	0	0	0	0	112.1	E743 I745 K750 E751	E743-S747 WeakPolarHBondContact O-CB 3.31Å; E743-S747 PolarHBondContact O-N 2.92Å; I745-S747 VanDerWaalsContact C-N 3.29Å; I745-S747 PolarHBondContact O-N 3.36Å; S747-K750 PolarHBondContact O-N 3.12Å; S747-E751 PolarHBondContact O-N 3.19Å
748	K	96.7	Very high	94	Very high	86 Å²	86	75.7 Å²	75.7	37%	0.374	37%	0.371	S	S	.	.	H	α-helix	trans	-75.3	-31.3	178	-76.5	-72.2	170	-164.4	0	114.4	Q744 I745 E751 A752 L775 L778	Q744-K748 WeakPolarHBondContact O-CB 3.49Å; Q744-K748 WeakPolarHBondContact O-CG 3.47Å; Q744-K748 PolarHBondContact O-N 2.91Å; Q744-K748 VanDerWaalsContact O-N 3.13Å; I745-K748 CarbonylContact O-C 3.56Å; I745-K748 PolarHBondContact O-N 3.46Å; K748-E751 IonicContact NZ-OE1 2.93Å; K748-E751 PolarHBondContact NZ-OE1 2.93Å; K748-E751 IonicContact NZ-OE2 2.67Å; K748-E751 PolarHBondContact NZ-OE2 2.85Å; K748-A752 WeakPolarHBondContact O-CB 3.2Å; K748-A752 PolarHBondContact O-N 3.03Å; K748-A752 VanDerWaalsContact O-N 3.09Å; K748-L775 HydrophobicContact CB-CD2 4.28Å; K748-L778 HydrophobicContact CB-CD2 3.74Å; K748-L778 HydrophobicContact CG-CD2 4.01Å
749	L	96.3	Very high	93.8	Very high	3 Å²	3	78.5 Å²	78.5	2%	0.016	38%	0.381	C	S	.	.	H	α-helix	trans	-63.1	-45	169.1	-68	179.6	0	0	0	110.2	I721 T724 Q725 L728 I745 L746 A752 S753 L775	I721-L749 HydrophobicContact CG1-CD2 4.46Å; I721-L749 HydrophobicContact CG2-CB 4.4Å; T724-L749 HydrophobicContact CG2-CD1 3.73Å; T724-L749 HydrophobicContact CG2-CD2 4.18Å; T724-L749 HydrophobicContact CG2-CG 4.49Å; Q725-L749 HydrophobicContact CB-CD1 4.25Å; L728-L749 HydrophobicContact CD1-CD1 4.31Å; I745-L749 HydrophobicContact CG2-CD1 3.95Å; I745-L749 HydrophobicContact CG2-CG 3.98Å; I745-L749 WeakPolarHBondContact O-CG 3.35Å; I745-L749 PolarHBondContact O-N 3.5Å; L746-L749 HydrophobicContact CD2-CD1 4.47Å; L746-L749 PolarHBondContact O-N 2.84Å; L749-A752 PolarHBondContact O-N 3.01Å; L749-S753 PolarHBondContact O-N 2.98Å; L749-L775 HydrophobicContact CD2-CD1 4.13Å; L749-L775 HydrophobicContact CD2-CD2 4.25Å
750	K	96	Very high	93.5	Very high	131 Å²	131	70.3 Å²	70.3	57%	0.57	34%	0.343	S	S	*	.	H	α-helix	trans	-62.7	-48.9	175.9	-175.7	176.3	174.7	-177.4	0	112.2	L746 S747 A752 S753 D754	L746-K750 WeakPolarHBondContact O-CB 3.41Å; L746-K750 PolarHBondContact O-N 3.46Å; S747-K750 PolarHBondContact O-N 3.12Å; K750-A752 PolarHBondContact O-N 2.9Å; K750-A752 VanDerWaalsContact O-N 3.14Å; K750-S753 WeakPolarHBondContact O-CA 3.31Å; K750-S753 WeakPolarHBondContact O-CB 3.07Å; K750-S753 PolarHBondContact O-N 3.38Å; K750-D754 VanDerWaalsContact CE-OD1 3.31Å; K750-D754 WeakPolarHBondContact CE-OD1 3.36Å; K750-D754 WeakPolarHBondContact CE-OD2 3.31Å; K750-D754 PolarHBondContact O-N 3.47Å
751	E	95.9	Very high	92.9	Very high	88 Å²	88	71.6 Å²	71.6	41%	0.411	34%	0.342	S	S	.	.	H	α-helix	trans	-56.2	-31.5	175.3	-177.8	-171.8	117.2	0	0	112.6	S747 K748 W755	S747-E751 PolarHBondContact O-N 3.19Å; K748-E751 IonicContact NZ-OE1 2.93Å; K748-E751 PolarHBondContact NZ-OE1 2.93Å; K748-E751 IonicContact NZ-OE2 2.67Å; K748-E751 PolarHBondContact NZ-OE2 2.85Å; E751-W755 WeakPolarHBondContact O-CB 3.19Å; E751-W755 PolarHBondContact O-N 2.79Å
752	A	95.3	Very high	92.7	Very high	2 Å²	2	72.8 Å²	72.8	2%	0.017	37%	0.367	C	S	.	.	H	α-helix	trans	-78.2	-31.5	174.6	0	0	0	0	0	113.4	I721 K748 L749 K750 L756 L775	I721-A752 HydrophobicContact CD1-CB 3.84Å; I721-A752 HydrophobicContact CG1-CB 4.37Å; K748-A752 WeakPolarHBondContact O-CB 3.2Å; K748-A752 PolarHBondContact O-N 3.03Å; K748-A752 VanDerWaalsContact O-N 3.09Å; L749-A752 PolarHBondContact O-N 3.01Å; K750-A752 PolarHBondContact O-N 2.9Å; K750-A752 VanDerWaalsContact O-N 3.14Å; A752-L756 VanDerWaalsContact O-CB 3.29Å; A752-L756 WeakPolarHBondContact O-CB 3.15Å; A752-L756 PolarHBondContact O-N 3.4Å; A752-L756 VanDerWaalsContact O-N 3.08Å; A752-L775 HydrophobicContact CB-CD1 3.72Å; A752-L775 HydrophobicContact CB-CD2 4.2Å; A752-L775 HydrophobicContact CB-CG 4.36Å
753	S	95.4	Very high	92.6	Very high	27 Å²	27	71.2 Å²	71.2	19%	0.189	36%	0.361	C	S	.	.	H	α-helix	trans	-71.5	-53.4	174.1	-161.9	0	0	0	0	111.5	L749 K750 W755 L756 D757	L749-S753 PolarHBondContact O-N 2.98Å; K750-S753 WeakPolarHBondContact O-CA 3.31Å; K750-S753 WeakPolarHBondContact O-CB 3.07Å; K750-S753 PolarHBondContact O-N 3.38Å; S753-W755 PolarHBondContact O-N 3.48Å; S753-L756 WeakPolarHBondContact O-CA 3.21Å; S753-L756 WeakPolarHBondContact O-CB 3.44Å; S753-L756 PolarHBondContact O-N 3.45Å; S753-D757 PolarHBondContact O-N 3.02Å
754	D	95.3	Very high	92.7	Very high	74 Å²	74	67.8 Å²	67.8	40%	0.396	35%	0.35	S	S	.	.	H	α-helix	trans	-55.3	-41.3	177.9	-61.7	-8.7	0	0	0	110.1	K750 E758	K750-D754 VanDerWaalsContact CE-OD1 3.31Å; K750-D754 WeakPolarHBondContact CE-OD1 3.36Å; K750-D754 WeakPolarHBondContact CE-OD2 3.31Å; K750-D754 PolarHBondContact O-N 3.47Å; D754-E758 PolarHBondContact O-N 2.89Å; D754-E758 VanDerWaalsContact O-N 3.14Å
755	W	95.3	Very high	92.6	Very high	32 Å²	32	64.1 Å²	64.1	12%	0.121	34%	0.336	C	S	.	.	H	α-helix	trans	-68.2	-30.9	173.5	175.4	81.8	0	0	0	114.1	L717 E751 S753 E759 G760 A763 Q767 L768 K771	L717-W755 HydrophobicContact CD2-CZ3 4.1Å; E751-W755 WeakPolarHBondContact O-CB 3.19Å; E751-W755 PolarHBondContact O-N 2.79Å; S753-W755 PolarHBondContact O-N 3.48Å; W755-E759 HydrophobicContact CZ2-CB 4.36Å; W755-E759 PolarHBondContact NE1-OE2 3.2Å; W755-E759 WeakPolarHBondContact O-CA 3.39Å; W755-E759 PolarHBondContact O-N 2.99Å; W755-G760 PolarHBondContact O-N 3.2Å; W755-A763 HydrophobicContact CH2-CB 3.6Å; W755-A763 HydrophobicContact CZ2-CB 3.86Å; W755-Q767 HydrophobicContact CH2-CB 4.4Å; W755-Q767 HydrophobicContact CZ2-CB 4.42Å; W755-L768 HydrophobicContact CH2-CD2 3.89Å; W755-L768 HydrophobicContact CZ3-CD2 3.91Å; W755-K771 HydrophobicContact CD2-CD 4.23Å; W755-K771 VanDerWaalsContact CD2-CE 3.43Å; W755-K771 HydrophobicContact CE3-CD 4.02Å; W755-K771 HydrophobicContact CE3-CG 4.08Å; W755-K771 VanDerWaalsContact CG-NZ 3.3Å; W755-K771 HydrophobicContact CH2-CG 4.1Å; W755-K771 HydrophobicContact CZ3-CB 4.45Å; W755-K771 HydrophobicContact CZ3-CD 4.32Å; W755-K771 HydrophobicContact CZ3-CG 3.86Å
756	L	93.8	Very high	92.6	Very high	13 Å²	13	72.3 Å²	72.3	7%	0.068	37%	0.366	C	S	.	.	H	α-helix	trans	-72.5	-35.4	178.7	-173.3	147.3	0	0	0	111	L714 L717 E718 A752 S753 G760	L714-L756 HydrophobicContact CD1-CD1 3.78Å; L714-L756 HydrophobicContact CD1-CD2 4.47Å; L714-L756 HydrophobicContact CD1-CG 3.97Å; L717-L756 HydrophobicContact CD2-CD1 4.14Å; L717-L756 HydrophobicContact CG-CD1 4.11Å; E718-L756 HydrophobicContact CB-CD1 4.2Å; A752-L756 VanDerWaalsContact O-CB 3.29Å; A752-L756 WeakPolarHBondContact O-CB 3.15Å; A752-L756 PolarHBondContact O-N 3.4Å; A752-L756 VanDerWaalsContact O-N 3.08Å; S753-L756 WeakPolarHBondContact O-CA 3.21Å; S753-L756 WeakPolarHBondContact O-CB 3.44Å; S753-L756 PolarHBondContact O-N 3.45Å; L756-G760 WeakPolarHBondContact O-CA 3.32Å; L756-G760 PolarHBondContact O-N 2.85Å
757	D	90.6	Very high	92.6	Very high	114 Å²	114	73.8 Å²	73.8	61%	0.61	37%	0.372	S	S	*	.	H	α-helix	trans	-69.5	-42.2	173.2	-69.7	-35.4	0	0	0	112.4	S753	S753-D757 PolarHBondContact O-N 3.02Å
758	E	91.1	Very high	92.6	Very high	172 Å²	172	70.3 Å²	70.3	80%	0.804	35%	0.348	S	S	*	.	H	α-helix	trans	-81.1	-48.9	-178.5	-69.2	-171.8	167.4	0	0	114.2	D754	D754-E758 PolarHBondContact O-N 2.89Å; D754-E758 VanDerWaalsContact O-N 3.14Å
759	E	89.5	Confident	92.6	Very high	104 Å²	104	70.7 Å²	70.7	49%	0.486	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-21	-174.2	-69.4	-173.4	-164.4	0	0	113.7	W755 Y761 G762 A763	W755-E759 HydrophobicContact CZ2-CB 4.36Å; W755-E759 PolarHBondContact NE1-OE2 3.2Å; W755-E759 WeakPolarHBondContact O-CA 3.39Å; W755-E759 PolarHBondContact O-N 2.99Å; E759-Y761 PolarHBondContact O-N 3.02Å; E759-Y761 VanDerWaalsContact O-N 3.11Å; E759-G762 CarbonylContact O-C 3.53Å; E759-G762 WeakPolarHBondContact O-CA 3.48Å; E759-G762 PolarHBondContact O-N 3.36Å; E759-A763 PolarHBondContact O-N 3.37Å
760	G	81.7	Confident	92.6	Very high	0 Å²	0	74.3 Å²	74.3	0%	0	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-25.3	-168.3	0	0	0	0	0	115.5	R710 W755 L756	R710-G760 PolarHBondContact NH2-O 2.99Å; W755-G760 PolarHBondContact O-N 3.2Å; L756-G760 WeakPolarHBondContact O-CA 3.32Å; L756-G760 PolarHBondContact O-N 2.85Å
761	Y	79.6	Confident	92.5	Very high	189 Å²	189	69.8 Å²	69.8	74%	0.741	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-38.5	170.6	-81.1	-90.5	0	0	0	112.9	R710 E759	R710-Y761 VanDerWaalsContact NH2-C 3.33Å; R710-Y761 PolarHBondContact NH2-O 2.79Å; E759-Y761 PolarHBondContact O-N 3.02Å; E759-Y761 VanDerWaalsContact O-N 3.11Å
762	G	85.9	Confident	92.6	Very high	74 Å²	74	66.1 Å²	66.1	76%	0.763	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-18.8	175.7	0	0	0	0	0	114.1	E759	E759-G762 CarbonylContact O-C 3.53Å; E759-G762 WeakPolarHBondContact O-CA 3.48Å; E759-G762 PolarHBondContact O-N 3.36Å
763	A	91.5	Very high	92.6	Very high	5 Å²	5	69.9 Å²	69.9	4%	0.041	36%	0.356	C	S	.	.			trans	-60.9	143.1	-172.7	0	0	0	0	0	114.4	R710 W755 E759 Q767 L768	R710-A763 PolarHBondContact NE-O 3.27Å; R710-A763 PolarHBondContact NH2-O 2.98Å; W755-A763 HydrophobicContact CH2-CB 3.6Å; W755-A763 HydrophobicContact CZ2-CB 3.86Å; E759-A763 PolarHBondContact O-N 3.37Å; A763-Q767 HydrophobicContact CB-CB 4.43Å; A763-L768 HydrophobicContact CB-CD1 4.49Å; A763-L768 HydrophobicContact CB-CD2 4Å; A763-L768 HydrophobicContact CB-CG 4.02Å
764	T	94.1	Very high	92.6	Very high	75 Å²	75	74.6 Å²	74.6	46%	0.46	38%	0.375	S	S	.	.			trans	-75.8	155.4	172.8	64.6	0	0	0	0	111.9	R766 Q767 L768	T764-R766 PolarHBondContact O-N 3.15Å; T764-Q767 PolarHBondContact O-N 3.38Å; T764-Q767 PolarHBondContact OG1-N 3.27Å; T764-Q767 PolarHBondContact OG1-OE1 2.81Å; T764-L768 WeakPolarHBondContact O-CG 3.48Å; T764-L768 PolarHBondContact O-N 2.98Å; T764-L768 VanDerWaalsContact O-N 3.12Å
765	T	93.8	Very high	92.7	Very high	39 Å²	39	71.6 Å²	71.6	24%	0.239	36%	0.359	C	S	.	.	H	α-helix	trans	-49.1	-33.8	172.1	-39.7	0	0	0	0	112.7	E709 R710 I713 K769	E709-T765 HydrophobicContact CG-CG2 4.03Å; R710-T765 VanDerWaalsContact CB-OG1 3.27Å; R710-T765 WeakPolarHBondContact CB-OG1 3.24Å; R710-T765 WeakPolarHBondContact CG-OG1 3.34Å; I713-T765 HydrophobicContact CG1-CG2 4.45Å; T765-K769 WeakPolarHBondContact O-CB 3.31Å; T765-K769 VanDerWaalsContact O-CG 3.32Å; T765-K769 WeakPolarHBondContact O-CG 3.47Å; T765-K769 PolarHBondContact O-N 3.01Å
766	R	95.6	Very high	92.7	Very high	176 Å²	176	74.9 Å²	74.9	66%	0.664	37%	0.374	S	S	*	.	H	α-helix	trans	-67.6	-51.4	177.4	-179.9	177.8	169.6	-179.4	-5.3	111.9	T764 L768 K769 E770	T764-R766 PolarHBondContact O-N 3.15Å; R766-L768 VanDerWaalsContact C-N 3.28Å; R766-L768 PolarHBondContact O-N 2.95Å; R766-K769 PolarHBondContact O-N 3.41Å; R766-E770 HydrophobicContact CG-CG 4.44Å; R766-E770 IonicContact CZ-OE1 3.26Å; R766-E770 VanDerWaalsContact CZ-OE1 3.22Å; R766-E770 IonicContact NE-OE1 2.74Å; R766-E770 PolarHBondContact NE-OE1 3.43Å; R766-E770 IonicContact NE-OE2 3.35Å; R766-E770 IonicContact NH2-OE1 3.95Å; R766-E770 PolarHBondContact NH2-OE1 2.77Å; R766-E770 WeakPolarHBondContact O-CG 3.47Å; R766-E770 PolarHBondContact O-N 3.49Å
767	Q	95.4	Very high	92.8	Very high	73 Å²	73	76.5 Å²	76.5	34%	0.341	39%	0.394	S	S	.	.	H	α-helix	trans	-59.5	-40.9	179.4	-71.8	158.6	-76.6	0	0	111.4	W755 A763 T764 E770 K771	W755-Q767 HydrophobicContact CH2-CB 4.4Å; W755-Q767 HydrophobicContact CZ2-CB 4.42Å; A763-Q767 HydrophobicContact CB-CB 4.43Å; T764-Q767 PolarHBondContact O-N 3.38Å; T764-Q767 PolarHBondContact OG1-N 3.27Å; T764-Q767 PolarHBondContact OG1-OE1 2.81Å; Q767-E770 PolarHBondContact O-N 3.06Å; Q767-K771 PolarHBondContact O-N 2.66Å
768	L	95.9	Very high	93	Very high	0 Å²	0	73.8 Å²	73.8	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-64.9	-43	177.1	-61.5	165.1	0	0	0	111.9	R710 I713 L714 L717 W755 A763 T764 R766 E770 L772	R710-L768 HydrophobicContact CG-CD1 4.34Å; R710-L768 VanDerWaalsContact NH1-CD1 3.34Å; I713-L768 HydrophobicContact CG2-CB 3.67Å; L714-L768 HydrophobicContact CB-CD1 4.18Å; L714-L768 HydrophobicContact CD1-CD1 4.4Å; L714-L768 HydrophobicContact CD1-CD2 3.67Å; L717-L768 HydrophobicContact CD2-CD2 3.94Å; W755-L768 HydrophobicContact CH2-CD2 3.89Å; W755-L768 HydrophobicContact CZ3-CD2 3.91Å; A763-L768 HydrophobicContact CB-CD1 4.49Å; A763-L768 HydrophobicContact CB-CD2 4Å; A763-L768 HydrophobicContact CB-CG 4.02Å; T764-L768 WeakPolarHBondContact O-CG 3.48Å; T764-L768 PolarHBondContact O-N 2.98Å; T764-L768 VanDerWaalsContact O-N 3.12Å; R766-L768 VanDerWaalsContact C-N 3.28Å; R766-L768 PolarHBondContact O-N 2.95Å; L768-E770 VanDerWaalsContact C-N 3.35Å; L768-L772 VanDerWaalsContact O-CB 3.3Å; L768-L772 WeakPolarHBondContact O-CB 3.05Å; L768-L772 PolarHBondContact O-N 3.34Å
769	K	95.8	Very high	93.1	Very high	94 Å²	94	65.7 Å²	65.7	41%	0.409	34%	0.342	S	S	.	.	H	α-helix	trans	-63.3	-38.2	172.5	-74.3	-175.2	-178.3	-177.6	0	112.3	E709 I713 T765 R766 S773	E709-K769 VanDerWaalsContact OE1-CE 3.24Å; E709-K769 WeakPolarHBondContact OE1-CE 3.43Å; E709-K769 IonicContact OE1-NZ 3.67Å; E709-K769 PolarHBondContact OE1-NZ 2.98Å; I713-K769 HydrophobicContact CD1-CD 4.49Å; I713-K769 HydrophobicContact CD1-CG 4.15Å; I713-K769 HydrophobicContact CG1-CG 4.24Å; I713-K769 HydrophobicContact CG2-CG 3.76Å; T765-K769 WeakPolarHBondContact O-CB 3.31Å; T765-K769 VanDerWaalsContact O-CG 3.32Å; T765-K769 WeakPolarHBondContact O-CG 3.47Å; T765-K769 PolarHBondContact O-N 3.01Å; R766-K769 PolarHBondContact O-N 3.41Å; K769-S773 WeakPolarHBondContact O-CB 3.29Å; K769-S773 PolarHBondContact O-N 3.36Å
770	E	96.4	Very high	93.4	Very high	79 Å²	79	67.3 Å²	67.3	37%	0.369	35%	0.347	S	S	.	.	H	α-helix	trans	-67.2	-47.9	178.1	-74.9	173.4	168.6	0	0	111.7	R766 Q767 L768 S773 Q774	R766-E770 HydrophobicContact CG-CG 4.44Å; R766-E770 IonicContact CZ-OE1 3.26Å; R766-E770 VanDerWaalsContact CZ-OE1 3.22Å; R766-E770 IonicContact NE-OE1 2.74Å; R766-E770 PolarHBondContact NE-OE1 3.43Å; R766-E770 IonicContact NE-OE2 3.35Å; R766-E770 IonicContact NH2-OE1 3.95Å; R766-E770 PolarHBondContact NH2-OE1 2.77Å; R766-E770 WeakPolarHBondContact O-CG 3.47Å; R766-E770 PolarHBondContact O-N 3.49Å; Q767-E770 PolarHBondContact O-N 3.06Å; L768-E770 VanDerWaalsContact C-N 3.35Å; E770-S773 PolarHBondContact O-N 3.27Å; E770-Q774 VanDerWaalsContact O-CG 3.29Å; E770-Q774 WeakPolarHBondContact O-CG 3.42Å; E770-Q774 PolarHBondContact O-N 2.9Å
771	K	95.4	Very high	93.9	Very high	35 Å²	35	71.7 Å²	71.7	15%	0.152	37%	0.37	C	S	.	.	H	α-helix	trans	-58.6	-48.4	173.1	-77.1	-90.7	-171.4	164.2	0	111.8	L717 W755 Q767 S773 Q774 L775	L717-K771 HydrophobicContact CD1-CB 4.44Å; L717-K771 HydrophobicContact CD2-CB 3.99Å; W755-K771 HydrophobicContact CD2-CD 4.23Å; W755-K771 VanDerWaalsContact CD2-CE 3.43Å; W755-K771 HydrophobicContact CE3-CD 4.02Å; W755-K771 HydrophobicContact CE3-CG 4.08Å; W755-K771 VanDerWaalsContact CG-NZ 3.3Å; W755-K771 HydrophobicContact CH2-CG 4.1Å; W755-K771 HydrophobicContact CZ3-CB 4.45Å; W755-K771 HydrophobicContact CZ3-CD 4.32Å; W755-K771 HydrophobicContact CZ3-CG 3.86Å; Q767-K771 PolarHBondContact O-N 2.66Å; K771-S773 VanDerWaalsContact C-N 3.31Å; K771-S773 PolarHBondContact O-N 2.95Å; K771-Q774 WeakPolarHBondContact O-CB 3.4Å; K771-Q774 PolarHBondContact O-N 3.5Å; K771-L775 PolarHBondContact O-N 2.98Å; K771-L775 VanDerWaalsContact O-N 3.08Å
772	L	96.1	Very high	94.6	Very high	11 Å²	11	62.8 Å²	62.8	6%	0.058	34%	0.336	C	S	.	.	H	α-helix	trans	-62.9	-36	178.6	-176.7	51.5	0	0	0	112.7	L717 F720 L768 K776	L717-L772 HydrophobicContact CB-CB 4.42Å; L717-L772 HydrophobicContact CD1-CB 4.06Å; L717-L772 HydrophobicContact CD1-CD1 4.19Å; F720-L772 HydrophobicContact CB-CD1 3.7Å; F720-L772 HydrophobicContact CD1-CD1 4.04Å; F720-L772 HydrophobicContact CD2-CD1 4.39Å; F720-L772 HydrophobicContact CG-CD1 3.76Å; L768-L772 VanDerWaalsContact O-CB 3.3Å; L768-L772 WeakPolarHBondContact O-CB 3.05Å; L768-L772 PolarHBondContact O-N 3.34Å; L772-K776 HydrophobicContact CD1-CD 3.97Å; L772-K776 HydrophobicContact CD1-CG 4.24Å; L772-K776 HydrophobicContact CG-CD 4.1Å; L772-K776 WeakPolarHBondContact O-CB 3.49Å; L772-K776 WeakPolarHBondContact O-CG 3.22Å; L772-K776 PolarHBondContact O-N 3.03Å
773	S	96.8	Very high	95	Very high	82 Å²	82	61.6 Å²	61.6	57%	0.573	31%	0.31	S	S	*	.	H	α-helix	trans	-67.1	-40.5	174.7	-170	0	0	0	0	112.1	K769 E770 K771 G777	K769-S773 WeakPolarHBondContact O-CB 3.29Å; K769-S773 PolarHBondContact O-N 3.36Å; E770-S773 PolarHBondContact O-N 3.27Å; K771-S773 VanDerWaalsContact C-N 3.31Å; K771-S773 PolarHBondContact O-N 2.95Å; S773-G777 PolarHBondContact O-N 3.48Å
774	Q	95.9	Very high	95.1	Very high	126 Å²	126	64.2 Å²	64.2	59%	0.589	32%	0.32	S	S	*	.	H	α-helix	trans	-61.5	-49.2	176.1	-70.5	164.2	11.6	0	0	111.7	E770 K771 G777 L778	E770-Q774 VanDerWaalsContact O-CG 3.29Å; E770-Q774 WeakPolarHBondContact O-CG 3.42Å; E770-Q774 PolarHBondContact O-N 2.9Å; K771-Q774 WeakPolarHBondContact O-CB 3.4Å; K771-Q774 PolarHBondContact O-N 3.5Å; Q774-G777 PolarHBondContact O-N 3.27Å; Q774-L778 PolarHBondContact O-N 2.91Å
775	L	96.3	Very high	95.2	Very high	10 Å²	10	61.5 Å²	61.5	5%	0.052	30%	0.302	C	S	.	.	H	α-helix	trans	-64.5	-43.2	178.7	-60.7	-179.7	0	0	0	112.1	L717 F720 I721 K748 L749 A752 K771 G777 L778 C779	L717-L775 HydrophobicContact CD1-CD1 3.75Å; F720-L775 HydrophobicContact CD1-CB 4Å; F720-L775 HydrophobicContact CD1-CD1 4.3Å; F720-L775 HydrophobicContact CE1-CB 3.65Å; I721-L775 HydrophobicContact CD1-CD1 4.34Å; I721-L775 HydrophobicContact CG1-CD1 3.77Å; K748-L775 HydrophobicContact CB-CD2 4.28Å; L749-L775 HydrophobicContact CD2-CD1 4.13Å; L749-L775 HydrophobicContact CD2-CD2 4.25Å; A752-L775 HydrophobicContact CB-CD1 3.72Å; A752-L775 HydrophobicContact CB-CD2 4.2Å; A752-L775 HydrophobicContact CB-CG 4.36Å; K771-L775 PolarHBondContact O-N 2.98Å; K771-L775 VanDerWaalsContact O-N 3.08Å; L775-G777 VanDerWaalsContact C-N 3.28Å; L775-G777 PolarHBondContact O-N 3.44Å; L775-L778 PolarHBondContact O-N 2.88Å; L775-C779 PolarHBondContact O-N 3.32Å; L775-C779 PolarHBondContact O-SG 3.44Å
776	K	96.1	Very high	95.2	Very high	101 Å²	101	59.9 Å²	59.9	44%	0.439	29%	0.292	S	S	.	.	H	α-helix	trans	-63.6	-33.1	174.7	-78.5	175.4	176.1	172.3	0	112.8	F720 L772 K780	F720-K776 HydrophobicContact CD2-CD 4.45Å; F720-K776 VanDerWaalsContact CD2-CE 3.48Å; F720-K776 HydrophobicContact CD2-CG 4.01Å; F720-K776 HydrophobicContact CE1-CG 4.1Å; F720-K776 HydrophobicContact CE2-CD 4.28Å; F720-K776 HydrophobicContact CE2-CG 3.48Å; F720-K776 VanDerWaalsContact CE2-CG 3.48Å; F720-K776 HydrophobicContact CZ-CB 4.37Å; F720-K776 HydrophobicContact CZ-CG 3.54Å; L772-K776 HydrophobicContact CD1-CD 3.97Å; L772-K776 HydrophobicContact CD1-CG 4.24Å; L772-K776 HydrophobicContact CG-CD 4.1Å; L772-K776 WeakPolarHBondContact O-CB 3.49Å; L772-K776 WeakPolarHBondContact O-CG 3.22Å; L772-K776 PolarHBondContact O-N 3.03Å; K776-K780 WeakPolarHBondContact O-CB 3.3Å; K776-K780 PolarHBondContact O-N 2.86Å
777	G	95.6	Very high	95.1	Very high	47 Å²	47	54 Å²	54	49%	0.485	28%	0.281	S	S	.	.	H	α-helix	trans	-65.1	-45.3	172.5	0	0	0	0	0	112.4	S773 Q774 L775 K780	S773-G777 PolarHBondContact O-N 3.48Å; Q774-G777 PolarHBondContact O-N 3.27Å; L775-G777 VanDerWaalsContact C-N 3.28Å; L775-G777 PolarHBondContact O-N 3.44Å; G777-K780 VanDerWaalsContact O-CB 3.3Å; G777-K780 WeakPolarHBondContact O-CB 3.43Å; G777-K780 PolarHBondContact O-N 2.92Å
778	L	94.2	Very high	95.1	Very high	58 Å²	58	51.5 Å²	51.5	30%	0.304	27%	0.269	S	S	.	.	H	α-helix	trans	-64.8	-44.8	-179.9	-167.9	71.1	0	0	0	112.4	I745 K748 Q774 L775 K780	I745-L778 HydrophobicContact CB-CD2 4.33Å; I745-L778 HydrophobicContact CG1-CD2 3.89Å; I745-L778 HydrophobicContact CG1-CG 3.94Å; K748-L778 HydrophobicContact CB-CD2 3.74Å; K748-L778 HydrophobicContact CG-CD2 4.01Å; Q774-L778 PolarHBondContact O-N 2.91Å; L775-L778 PolarHBondContact O-N 2.88Å; L778-K780 VanDerWaalsContact C-N 3.28Å; L778-K780 PolarHBondContact O-N 3.46Å
779	C	94.4	Very high	94.9	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.007	28%	0.281	C	S	.	.	H	α-helix	trans	-80.6	-7.9	-176.5	-52.2	0	0	0	0	113.8	F720 T724 L775 D781 V782 F783	F720-C779 HydrophobicContact CZ-CB 4.33Å; T724-C779 HydrophobicContact CG2-CB 4.49Å; L775-C779 PolarHBondContact O-N 3.32Å; L775-C779 PolarHBondContact O-SG 3.44Å; C779-D781 PolarHBondContact O-N 3.02Å; C779-V782 PolarHBondContact O-N 2.74Å; C779-F783 HydrophobicContact CB-CD2 3.88Å; C779-F783 HydrophobicContact CB-CE2 3.62Å; C779-F783 HydrophobicContact CB-CG 4.5Å; C779-F783 HydrophobicContact CB-CZ 4.04Å; C779-F783 WeakPolarHBondContact O-CG 3.31Å; C779-F783 PolarHBondContact O-N 3.25Å
780	K	94.4	Very high	94.8	Very high	139 Å²	139	56.3 Å²	56.3	60%	0.604	29%	0.285	S	S	*	.	H	α-helix	trans	-54.7	-49.4	-168.3	-177.2	-173.4	173.6	-168.8	0	113.5	K776 G777 L778 F784	K776-K780 WeakPolarHBondContact O-CB 3.3Å; K776-K780 PolarHBondContact O-N 2.86Å; G777-K780 VanDerWaalsContact O-CB 3.3Å; G777-K780 WeakPolarHBondContact O-CB 3.43Å; G777-K780 PolarHBondContact O-N 2.92Å; L778-K780 VanDerWaalsContact C-N 3.28Å; L778-K780 PolarHBondContact O-N 3.46Å; K780-F784 WeakPolarHBondContact O-CB 3.43Å; K780-F784 PolarHBondContact O-N 2.92Å
781	D	92.9	Very high	94.7	Very high	91 Å²	91	57.1 Å²	57.1	49%	0.487	29%	0.287	S	S	.	.	H	α-helix	trans	-77.8	-32.1	-171.8	-71.5	-9.7	0	0	0	111.4	C779 F784 R785	C779-D781 PolarHBondContact O-N 3.02Å; D781-F784 PolarHBondContact O-N 3.03Å; D781-R785 VanDerWaalsContact O-CG 3.26Å; D781-R785 WeakPolarHBondContact O-CG 3.44Å; D781-R785 PolarHBondContact O-N 3.39Å
782	V	93.4	Very high	94.7	Very high	3 Å²	3	56.7 Å²	56.7	2%	0.018	29%	0.285	C	S	.	.	H	α-helix	trans	-62.7	-51.8	170.4	178.4	0	0	0	0	110.3	V736 V737 I745 C779 F784 R785 V786	V736-V782 HydrophobicContact CG2-CG1 4.21Å; V737-V782 HydrophobicContact CB-CG1 4.19Å; V737-V782 HydrophobicContact CB-CG2 4.45Å; V737-V782 HydrophobicContact CG2-CG1 4.35Å; V737-V782 HydrophobicContact CG2-CG2 3.95Å; I745-V782 HydrophobicContact CD1-CG2 4.01Å; C779-V782 PolarHBondContact O-N 2.74Å; V782-F784 VanDerWaalsContact C-N 3.27Å; V782-F784 PolarHBondContact O-N 2.76Å; V782-R785 WeakPolarHBondContact O-CB 3.38Å; V782-R785 PolarHBondContact O-N 2.86Å; V782-R785 VanDerWaalsContact O-N 3.15Å; V782-V786 PolarHBondContact O-N 2.67Å; V782-V786 VanDerWaalsContact O-N 3.07Å
783	F	94.4	Very high	94.6	Very high	48 Å²	48	60.2 Å²	60.2	21%	0.211	31%	0.308	C	S	.	.	H	α-helix	trans	-62.2	-32.7	176.8	-68.4	-23.3	0	0	0	112.8	F720 T724 K727 H733 C779 A787	F720-F783 AromaticContact CE2-CE2 3.96Å; F720-F783 HydrophobicContact CE2-CE2 3.96Å; F720-F783 AromaticContact CZ-CE2 3.88Å; F720-F783 HydrophobicContact CZ-CE2 3.88Å; T724-F783 HydrophobicContact CG2-CE1 4.48Å; T724-F783 HydrophobicContact CG2-CZ 3.84Å; K727-F783 HydrophobicContact CB-CE1 4.32Å; K727-F783 HydrophobicContact CD-CE1 3.73Å; K727-F783 HydrophobicContact CD-CZ 3.91Å; H733-F783 AromaticContact NE2-CD1 3.83Å; H733-F783 AromaticContact NE2-CE1 3.89Å; C779-F783 HydrophobicContact CB-CD2 3.88Å; C779-F783 HydrophobicContact CB-CE2 3.62Å; C779-F783 HydrophobicContact CB-CG 4.5Å; C779-F783 HydrophobicContact CB-CZ 4.04Å; C779-F783 WeakPolarHBondContact O-CG 3.31Å; C779-F783 PolarHBondContact O-N 3.25Å; F783-A787 VanDerWaalsContact O-CB 3.23Å; F783-A787 WeakPolarHBondContact O-CB 3.49Å; F783-A787 PolarHBondContact O-N 2.74Å
784	F	94.8	Very high	94.5	Very high	60 Å²	60	63 Å²	63	26%	0.263	31%	0.312	S	S	.	.	H	α-helix	trans	-65.6	-45	172.7	-179.5	-104.4	0	0	0	112.2	K780 D781 V782 V786 A787 E788 R857 L861	K780-F784 WeakPolarHBondContact O-CB 3.43Å; K780-F784 PolarHBondContact O-N 2.92Å; D781-F784 PolarHBondContact O-N 3.03Å; V782-F784 VanDerWaalsContact C-N 3.27Å; V782-F784 PolarHBondContact O-N 2.76Å; F784-V786 VanDerWaalsContact C-N 3.32Å; F784-V786 PolarHBondContact O-N 2.89Å; F784-A787 PolarHBondContact O-N 2.65Å; F784-E788 HydrophobicContact CD2-CG 4.42Å; F784-E788 HydrophobicContact CE1-CG 4.19Å; F784-E788 HydrophobicContact CE2-CG 3.94Å; F784-E788 HydrophobicContact CZ-CG 3.81Å; F784-E788 WeakPolarHBondContact O-CG 3.4Å; F784-E788 PolarHBondContact O-N 2.86Å; F784-E788 VanDerWaalsContact O-N 3.11Å; F784-R857 HydrophobicContact CE1-CG 4.05Å; F784-L861 HydrophobicContact CE1-CD2 4.38Å; F784-L861 HydrophobicContact CZ-CD2 3.87Å
785	R	94.8	Very high	94.4	Very high	18 Å²	18	58.2 Å²	58.2	7%	0.068	29%	0.29	C	S	.	.	H	α-helix	trans	-57.9	-42.8	175.1	-67.3	165.8	-145.9	166.4	2.8	111.6	V736 E741 D781 V782 R789 H855	V736-R785 HydrophobicContact CB-CB 3.77Å; V736-R785 HydrophobicContact CB-CG 4.49Å; V736-R785 HydrophobicContact CG1-CB 4.09Å; V736-R785 HydrophobicContact CG2-CB 3.79Å; V736-R785 WeakPolarHBondContact O-CD 3.28Å; V736-R785 PolarHBondContact O-NH1 3.42Å; E741-R785 IonicContact OE1-CZ 3.87Å; E741-R785 IonicContact OE1-NH1 2.98Å; E741-R785 PolarHBondContact OE1-NH1 2.72Å; E741-R785 IonicContact OE1-NH2 3Å; E741-R785 PolarHBondContact OE1-NH2 2.83Å; E741-R785 IonicContact OE2-CZ 2.75Å; E741-R785 IonicContact OE2-NH1 2.75Å; E741-R785 PolarHBondContact OE2-NH1 2.78Å; E741-R785 IonicContact OE2-NH2 3.63Å; D781-R785 VanDerWaalsContact O-CG 3.26Å; D781-R785 WeakPolarHBondContact O-CG 3.44Å; D781-R785 PolarHBondContact O-N 3.39Å; V782-R785 WeakPolarHBondContact O-CB 3.38Å; V782-R785 PolarHBondContact O-N 2.86Å; V782-R785 VanDerWaalsContact O-N 3.15Å; R785-R789 VanDerWaalsContact O-CG 3.31Å; R785-R789 WeakPolarHBondContact O-CG 3.47Å; R785-R789 PolarHBondContact O-N 2.89Å; R785-H855 PolarHBondContact NE-O 3.15Å; R785-H855 VanDerWaalsContact NE-O 3.1Å; R785-H855 PolarHBondContact NH1-O 2.84Å
786	V	94	Very high	94.3	Very high	5 Å²	5	59.4 Å²	59.4	3%	0.03	30%	0.297	C	S	.	.	H	α-helix	trans	-68.4	-47.5	177.1	177.1	0	0	0	0	112.1	D732 H733 V736 V782 F784 E788 R789 R790	D732-V786 HydrophobicContact CB-CG1 4.06Å; D732-V786 WeakPolarHBondContact O-CG2 3.29Å; H733-V786 HydrophobicContact CB-CG2 4.38Å; V736-V786 HydrophobicContact CG2-CG2 3.45Å; V736-V786 VanDerWaalsContact CG2-CG2 3.45Å; V782-V786 PolarHBondContact O-N 2.67Å; V782-V786 VanDerWaalsContact O-N 3.07Å; F784-V786 VanDerWaalsContact C-N 3.32Å; F784-V786 PolarHBondContact O-N 2.89Å; V786-E788 VanDerWaalsContact C-N 3.3Å; V786-E788 PolarHBondContact O-N 2.96Å; V786-R789 PolarHBondContact O-N 3.08Å; V786-R790 HydrophobicContact CG1-CG 4.13Å; V786-R790 PolarHBondContact O-N 2.99Å
787	A	93.9	Very high	94.3	Very high	53 Å²	53	58.3 Å²	58.3	44%	0.438	30%	0.299	S	S	.	.	H	α-helix	trans	-63.1	-35.1	-175.7	0	0	0	0	0	113	F783 F784	F783-A787 VanDerWaalsContact O-CB 3.23Å; F783-A787 WeakPolarHBondContact O-CB 3.49Å; F783-A787 PolarHBondContact O-N 2.74Å; F784-A787 PolarHBondContact O-N 2.65Å
788	E	95.2	Very high	94.3	Very high	21 Å²	21	59.7 Å²	59.7	10%	0.098	30%	0.295	C	S	.	.	H	α-helix	trans	-66.5	-52.6	171	-73.2	-66.1	164.1	0	0	111.2	F784 V786 R790 K791 W792 P858 S862	F784-E788 HydrophobicContact CD2-CG 4.42Å; F784-E788 HydrophobicContact CE1-CG 4.19Å; F784-E788 HydrophobicContact CE2-CG 3.94Å; F784-E788 HydrophobicContact CZ-CG 3.81Å; F784-E788 WeakPolarHBondContact O-CG 3.4Å; F784-E788 PolarHBondContact O-N 2.86Å; F784-E788 VanDerWaalsContact O-N 3.11Å; V786-E788 VanDerWaalsContact C-N 3.3Å; V786-E788 PolarHBondContact O-N 2.96Å; E788-R790 VanDerWaalsContact C-N 3.33Å; E788-R790 PolarHBondContact O-N 2.83Å; E788-K791 PolarHBondContact O-N 3.09Å; E788-W792 HydrophobicContact CB-CZ2 3.84Å; E788-W792 PolarHBondContact O-N 2.91Å; E788-W792 PolarHBondContact O-NE1 2.87Å; E788-W792 PolarHBondContact OE2-NE1 3.3Å; E788-P858 HydrophobicContact CB-CG 4.33Å; E788-S862 VanDerWaalsContact OE2-CB 3.24Å; E788-S862 WeakPolarHBondContact OE2-CB 3.33Å; E788-S862 PolarHBondContact OE2-N 2.93Å; E788-S862 PolarHBondContact OE2-OG 3.44Å
789	R	92.9	Very high	94.4	Very high	63 Å²	63	56.9 Å²	56.9	24%	0.238	28%	0.28	C	S	.	.	H	α-helix	trans	-59	-39.1	-178.4	-73.5	174.8	-165	-76.1	-11	113.7	V736 R785 V786 K791 W792 P793 P854	V736-R789 VanDerWaalsContact CG1-CD 3.44Å; V736-R789 VanDerWaalsContact CG1-NE 3.25Å; R785-R789 VanDerWaalsContact O-CG 3.31Å; R785-R789 WeakPolarHBondContact O-CG 3.47Å; R785-R789 PolarHBondContact O-N 2.89Å; V786-R789 PolarHBondContact O-N 3.08Å; R789-K791 PolarHBondContact O-N 2.95Å; R789-W792 HydrophobicContact CG-CE3 4.04Å; R789-W792 HydrophobicContact CG-CH2 3.75Å; R789-W792 HydrophobicContact CG-CZ2 4.33Å; R789-W792 HydrophobicContact CG-CZ3 3.6Å; R789-W792 PolarHBondContact O-N 3.13Å; R789-P793 WeakPolarHBondContact O-CD 3.45Å; R789-P854 VanDerWaalsContact NH2-CA 3.32Å; R789-P854 PolarHBondContact NH2-O 3.25Å
790	R	93.2	Very high	94.4	Very high	131 Å²	131	59.4 Å²	59.4	49%	0.494	29%	0.293	S	S	.	.	H	α-helix	trans	-63.2	-28	176.4	-76.6	-176.5	172	173.3	-1.3	113.2	D732 V786 E788	D732-R790 IonicContact OD2-CZ 3.54Å; D732-R790 IonicContact OD2-NE 3.44Å; D732-R790 PolarHBondContact OD2-NE 3.27Å; D732-R790 IonicContact OD2-NH2 2.92Å; D732-R790 PolarHBondContact OD2-NH2 2.86Å; V786-R790 HydrophobicContact CG1-CG 4.13Å; V786-R790 PolarHBondContact O-N 2.99Å; E788-R790 VanDerWaalsContact C-N 3.33Å; E788-R790 PolarHBondContact O-N 2.83Å
791	K	94.3	Very high	94.4	Very high	96 Å²	96	56.8 Å²	56.8	42%	0.417	29%	0.286	S	S	.	.	H	α-helix	trans	-86.6	-29.5	-179.8	-78.7	-175.7	157.9	-153.7	0	114.3	E788 R789 P793 E794 L795 S862 E866	E788-K791 PolarHBondContact O-N 3.09Å; R789-K791 PolarHBondContact O-N 2.95Å; K791-P793 VanDerWaalsContact C-CD 3.47Å; K791-E794 PolarHBondContact O-N 2.78Å; K791-L795 HydrophobicContact CB-CD1 3.96Å; K791-L795 HydrophobicContact CD-CD1 4.36Å; K791-L795 WeakPolarHBondContact O-CG 3.28Å; K791-L795 PolarHBondContact O-N 3.4Å; K791-L795 VanDerWaalsContact O-N 3.14Å; K791-S862 WeakPolarHBondContact CB-OG 3.49Å; K791-S862 WeakPolarHBondContact CD-OG 3.34Å; K791-E866 IonicContact NZ-OE1 3.14Å; K791-E866 PolarHBondContact NZ-OE1 3.12Å
792	W	94.2	Very high	94.5	Very high	27 Å²	27	53.5 Å²	53.5	10%	0.102	27%	0.269	C	S	.	.	H	α-helix	trans	-57.4	-40.4	-172.2	-61.2	-17.6	0	0	0	115.3	E788 R789 E794 L796 Q849 P858 L860	E788-W792 HydrophobicContact CB-CZ2 3.84Å; E788-W792 PolarHBondContact O-N 2.91Å; E788-W792 PolarHBondContact O-NE1 2.87Å; E788-W792 PolarHBondContact OE2-NE1 3.3Å; R789-W792 HydrophobicContact CG-CE3 4.04Å; R789-W792 HydrophobicContact CG-CH2 3.75Å; R789-W792 HydrophobicContact CG-CZ2 4.33Å; R789-W792 HydrophobicContact CG-CZ3 3.6Å; R789-W792 PolarHBondContact O-N 3.13Å; W792-E794 PolarHBondContact O-N 2.92Å; W792-L796 HydrophobicContact CB-CD1 4.21Å; W792-L796 WeakPolarHBondContact O-CB 3.44Å; W792-L796 WeakPolarHBondContact O-CG 3.49Å; W792-L796 PolarHBondContact O-N 3.18Å; W792-Q849 HydrophobicContact CH2-CG 3.74Å; W792-Q849 HydrophobicContact CZ2-CG 4.45Å; W792-Q849 HydrophobicContact CZ3-CG 3.88Å; W792-P858 HydrophobicContact CH2-CB 3.93Å; W792-P858 HydrophobicContact CH2-CG 4.02Å; W792-P858 HydrophobicContact CZ2-CB 3.59Å; W792-P858 HydrophobicContact CZ2-CG 3.88Å; W792-L860 HydrophobicContact CD2-CD2 3.94Å; W792-L860 HydrophobicContact CE3-CD2 4.35Å; W792-L860 HydrophobicContact CG-CD2 4.05Å; W792-L860 HydrophobicContact CZ2-CB 4.33Å; W792-L860 VanDerWaalsContact CZ2-O 3.26Å; W792-L860 WeakPolarHBondContact CZ2-O 3.22Å; W792-L860 PolarHBondContact NE1-O 2.95Å
793	P	94.3	Very high	94.6	Very high	85 Å²	85	53.6 Å²	53.6	55%	0.552	27%	0.269	S	S	*	.	H	α-helix	trans	-61.3	-44.1	-176.6	-25.5	35.5	0	0	0	113.5	R789 K791 T797	R789-P793 WeakPolarHBondContact O-CD 3.45Å; K791-P793 VanDerWaalsContact C-CD 3.47Å; P793-T797 VanDerWaalsContact O-CB 3.27Å; P793-T797 WeakPolarHBondContact O-CB 3.13Å; P793-T797 PolarHBondContact O-N 2.89Å; P793-T797 PolarHBondContact O-OG1 2.91Å
794	E	94.6	Very high	94.6	Very high	139 Å²	139	56.3 Å²	56.3	65%	0.65	29%	0.286	S	S	*	.	H	α-helix	trans	-69	-53.9	176.9	-174	174.3	-153.5	0	0	110.8	K791 W792 L796 T797 D798	K791-E794 PolarHBondContact O-N 2.78Å; W792-E794 PolarHBondContact O-N 2.92Å; E794-L796 VanDerWaalsContact C-N 3.34Å; E794-L796 PolarHBondContact O-N 2.74Å; E794-T797 PolarHBondContact O-N 3.41Å; E794-T797 VanDerWaalsContact O-N 3.12Å; E794-D798 PolarHBondContact O-N 2.99Å
795	L	94.2	Very high	94.5	Very high	26 Å²	26	57.4 Å²	57.4	14%	0.136	30%	0.298	C	S	.	.	H	α-helix	trans	-62.9	-34.7	-177.1	-68.2	179.8	0	0	0	113.7	K791 L799 I865 E866	K791-L795 HydrophobicContact CB-CD1 3.96Å; K791-L795 HydrophobicContact CD-CD1 4.36Å; K791-L795 WeakPolarHBondContact O-CG 3.28Å; K791-L795 PolarHBondContact O-N 3.4Å; K791-L795 VanDerWaalsContact O-N 3.14Å; L795-L799 VanDerWaalsContact O-CB 3.31Å; L795-L799 WeakPolarHBondContact O-CB 3.41Å; L795-L799 PolarHBondContact O-N 3.16Å; L795-I865 HydrophobicContact CB-CB 4.39Å; L795-I865 HydrophobicContact CB-CD1 4.16Å; L795-I865 HydrophobicContact CB-CG2 3.86Å; L795-I865 WeakPolarHBondContact O-CG2 3.47Å; L795-E866 HydrophobicContact CD1-CG 4.1Å; L795-E866 HydrophobicContact CD2-CG 3.96Å
796	L	95.1	Very high	94.4	Very high	36 Å²	36	56.6 Å²	56.6	19%	0.188	30%	0.295	C	S	.	.	H	α-helix	trans	-73.1	-38.4	175	-69.3	173.1	0	0	0	111.6	W792 E794 L799 D800 K842 V846 L860 I865	W792-L796 HydrophobicContact CB-CD1 4.21Å; W792-L796 WeakPolarHBondContact O-CB 3.44Å; W792-L796 WeakPolarHBondContact O-CG 3.49Å; W792-L796 PolarHBondContact O-N 3.18Å; E794-L796 VanDerWaalsContact C-N 3.34Å; E794-L796 PolarHBondContact O-N 2.74Å; L796-L799 PolarHBondContact O-N 2.82Å; L796-D800 WeakPolarHBondContact O-CB 3.46Å; L796-D800 PolarHBondContact O-N 3.28Å; L796-K842 HydrophobicContact CD2-CD 4.32Å; L796-K842 HydrophobicContact CD2-CG 4.16Å; L796-V846 HydrophobicContact CD1-CG2 4.43Å; L796-V846 HydrophobicContact CD2-CG2 4.12Å; L796-L860 HydrophobicContact CD1-CD2 4.19Å; L796-L860 HydrophobicContact CD2-CD2 4.46Å; L796-I865 HydrophobicContact CD2-CD1 4.01Å; L796-I865 HydrophobicContact CG-CD1 4.27Å
797	T	95.9	Very high	94.4	Very high	78 Å²	78	58.4 Å²	58.4	48%	0.479	31%	0.305	S	S	.	.	H	α-helix	trans	-63.8	-43.9	175.8	-64.3	0	0	0	0	111	P793 E794 D800 N801	P793-T797 VanDerWaalsContact O-CB 3.27Å; P793-T797 WeakPolarHBondContact O-CB 3.13Å; P793-T797 PolarHBondContact O-N 2.89Å; P793-T797 PolarHBondContact O-OG1 2.91Å; E794-T797 PolarHBondContact O-N 3.41Å; E794-T797 VanDerWaalsContact O-N 3.12Å; T797-D800 PolarHBondContact O-N 2.93Å; T797-N801 VanDerWaalsContact O-CB 3.31Å; T797-N801 WeakPolarHBondContact O-CB 3.5Å; T797-N801 PolarHBondContact O-N 2.9Å; T797-N801 PolarHBondContact O-ND2 3.34Å
798	D	95	Very high	94.4	Very high	75 Å²	75	63.8 Å²	63.8	40%	0.401	32%	0.319	S	S	.	.	H	α-helix	trans	-67.3	-36.9	175.4	-89.5	1.7	0	0	0	112.8	E794 T802 L869	E794-D798 PolarHBondContact O-N 2.99Å; D798-T802 VanDerWaalsContact O-CB 3.3Å; D798-T802 WeakPolarHBondContact O-CB 3.35Å; D798-T802 PolarHBondContact O-N 3.35Å; D798-T802 PolarHBondContact O-OG1 3.23Å; D798-L869 HydrophobicContact CB-CD1 3.89Å
799	L	95.5	Very high	94.2	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-63.8	-44.2	173.1	-176.4	62.6	0	0	0	111.4	L795 L796 T802 L803 T838 W841 K842 I865 K868 L869	L795-L799 VanDerWaalsContact O-CB 3.31Å; L795-L799 WeakPolarHBondContact O-CB 3.41Å; L795-L799 PolarHBondContact O-N 3.16Å; L796-L799 PolarHBondContact O-N 2.82Å; L799-T802 PolarHBondContact O-N 3.45Å; L799-L803 HydrophobicContact CD1-CD1 4.41Å; L799-L803 HydrophobicContact CD1-CG 4.43Å; L799-L803 HydrophobicContact CG-CD1 4.03Å; L799-L803 HydrophobicContact CG-CG 4.49Å; L799-L803 WeakPolarHBondContact O-CB 3.44Å; L799-L803 VanDerWaalsContact O-CG 3.28Å; L799-L803 WeakPolarHBondContact O-CG 3.19Å; L799-L803 PolarHBondContact O-N 3.31Å; L799-T838 HydrophobicContact CD1-CG2 3.83Å; L799-T838 HydrophobicContact CD2-CG2 4.42Å; L799-W841 HydrophobicContact CD2-CZ3 4.06Å; L799-K842 HydrophobicContact CD2-CB 4.21Å; L799-K842 HydrophobicContact CD2-CD 3.96Å; L799-K842 HydrophobicContact CD2-CG 3.82Å; L799-I865 HydrophobicContact CB-CG2 4.21Å; L799-I865 HydrophobicContact CD2-CG2 4.07Å; L799-K868 HydrophobicContact CD1-CB 4.46Å; L799-L869 HydrophobicContact CD1-CB 4.43Å
800	D	95.6	Very high	94.1	Very high	53 Å²	53	62 Å²	62	28%	0.283	31%	0.312	S	S	.	.	H	α-helix	trans	-70.4	-38.4	177.9	-81.8	-39.9	0	0	0	112.6	L796 T797 T802 L803 N804 K842	L796-D800 WeakPolarHBondContact O-CB 3.46Å; L796-D800 PolarHBondContact O-N 3.28Å; T797-D800 PolarHBondContact O-N 2.93Å; D800-T802 VanDerWaalsContact C-N 3.33Å; D800-T802 PolarHBondContact O-N 2.97Å; D800-L803 PolarHBondContact O-N 3.47Å; D800-N804 VanDerWaalsContact O-CB 3.26Å; D800-N804 WeakPolarHBondContact O-CB 3.27Å; D800-N804 VanDerWaalsContact O-CG 3.22Å; D800-N804 PolarHBondContact O-N 2.96Å; D800-N804 PolarHBondContact O-ND2 3.08Å; D800-K842 IonicContact OD1-NZ 3.7Å; D800-K842 PolarHBondContact OD1-NZ 2.77Å; D800-K842 IonicContact OD2-NZ 2.73Å; D800-K842 PolarHBondContact OD2-NZ 3.44Å
801	N	95.2	Very high	94	Very high	84 Å²	84	63.9 Å²	63.9	45%	0.449	32%	0.32	S	S	.	.	H	α-helix	trans	-60.2	-42.9	171.3	-75.5	-28.9	0	0	0	111.6	T797 T805	T797-N801 VanDerWaalsContact O-CB 3.31Å; T797-N801 WeakPolarHBondContact O-CB 3.5Å; T797-N801 PolarHBondContact O-N 2.9Å; T797-N801 PolarHBondContact O-ND2 3.34Å; N801-T805 WeakPolarHBondContact O-CB 3.24Å; N801-T805 PolarHBondContact O-N 3.14Å; N801-T805 PolarHBondContact O-OG1 2.85Å
802	T	94.1	Very high	93.7	Very high	22 Å²	22	61.1 Å²	61.1	14%	0.135	32%	0.318	C	S	.	.	H	α-helix	trans	-67.8	-45.9	176.7	-52.8	0	0	0	0	110.9	D798 L799 D800 N804 T805 S806 L872 Q873	D798-T802 VanDerWaalsContact O-CB 3.3Å; D798-T802 WeakPolarHBondContact O-CB 3.35Å; D798-T802 PolarHBondContact O-N 3.35Å; D798-T802 PolarHBondContact O-OG1 3.23Å; L799-T802 PolarHBondContact O-N 3.45Å; D800-T802 VanDerWaalsContact C-N 3.33Å; D800-T802 PolarHBondContact O-N 2.97Å; T802-N804 PolarHBondContact O-N 2.71Å; T802-T805 PolarHBondContact O-N 3.3Å; T802-S806 WeakPolarHBondContact O-CB 3.24Å; T802-S806 PolarHBondContact O-N 2.81Å; T802-S806 PolarHBondContact O-OG 3.21Å; T802-S806 VanDerWaalsContact O-OG 3.07Å; T802-L872 HydrophobicContact CG2-CB 4.45Å; T802-L872 HydrophobicContact CG2-CD2 3.55Å; T802-L872 HydrophobicContact CG2-CG 3.82Å; T802-Q873 HydrophobicContact CG2-CG 3.84Å
803	L	95.4	Very high	93.4	Very high	5 Å²	5	60 Å²	60	3%	0.026	31%	0.314	C	S	.	.	H	α-helix	trans	-59.6	-43.7	176.2	-79.2	169.3	0	0	0	112.3	L799 D800 N807 I835 T838 L872	L799-L803 HydrophobicContact CD1-CD1 4.41Å; L799-L803 HydrophobicContact CD1-CG 4.43Å; L799-L803 HydrophobicContact CG-CD1 4.03Å; L799-L803 HydrophobicContact CG-CG 4.49Å; L799-L803 WeakPolarHBondContact O-CB 3.44Å; L799-L803 VanDerWaalsContact O-CG 3.28Å; L799-L803 WeakPolarHBondContact O-CG 3.19Å; L799-L803 PolarHBondContact O-N 3.31Å; D800-L803 PolarHBondContact O-N 3.47Å; L803-N807 VanDerWaalsContact O-CB 3.3Å; L803-N807 WeakPolarHBondContact O-CB 3.48Å; L803-N807 PolarHBondContact O-N 3.43Å; L803-N807 PolarHBondContact O-ND2 2.88Å; L803-I835 HydrophobicContact CD2-CG2 4.3Å; L803-T838 HydrophobicContact CD1-CG2 4.39Å; L803-T838 HydrophobicContact CD2-CG2 4.06Å; L803-L872 HydrophobicContact CB-CD2 4.48Å; L803-L872 HydrophobicContact CD2-CD2 3.66Å; L803-L872 HydrophobicContact CG-CD2 3.84Å
804	N	94	Very high	93	Very high	106 Å²	106	60.4 Å²	60.4	57%	0.567	31%	0.307	S	S	*	.	H	α-helix	trans	-63.7	-45.9	176.6	-76.6	-42	0	0	0	111.4	D800 T802 N807 F808	D800-N804 VanDerWaalsContact O-CB 3.26Å; D800-N804 WeakPolarHBondContact O-CB 3.27Å; D800-N804 VanDerWaalsContact O-CG 3.22Å; D800-N804 PolarHBondContact O-N 2.96Å; D800-N804 PolarHBondContact O-ND2 3.08Å; T802-N804 PolarHBondContact O-N 2.71Å; N804-N807 PolarHBondContact O-N 2.78Å; N804-F808 WeakPolarHBondContact O-CB 3.23Å; N804-F808 PolarHBondContact O-N 2.69Å
805	T	93.6	Very high	92.5	Very high	83 Å²	83	60.5 Å²	60.5	51%	0.509	31%	0.312	S	S	.	.	H	α-helix	trans	-64	-44.3	178.8	-56.9	0	0	0	0	111.7	N801 T802 F808 F809 M876	N801-T805 WeakPolarHBondContact O-CB 3.24Å; N801-T805 PolarHBondContact O-N 3.14Å; N801-T805 PolarHBondContact O-OG1 2.85Å; T802-T805 PolarHBondContact O-N 3.3Å; T805-F808 PolarHBondContact O-N 3.25Å; T805-F809 WeakPolarHBondContact O-CB 3.5Å; T805-F809 PolarHBondContact O-N 2.97Å; T805-M876 HydrophobicContact CG2-CE 3.93Å
806	S	93.2	Very high	92	Very high	1 Å²	1	61.7 Å²	61.7	1%	0.007	32%	0.318	C	S	.	.	H	α-helix	trans	-66.9	-37.4	176.7	-62.2	0	0	0	0	112.6	T802 L810	T802-S806 WeakPolarHBondContact O-CB 3.24Å; T802-S806 PolarHBondContact O-N 2.81Å; T802-S806 PolarHBondContact O-OG 3.21Å; T802-S806 VanDerWaalsContact O-OG 3.07Å; S806-L810 VanDerWaalsContact O-CB 3.25Å; S806-L810 WeakPolarHBondContact O-CB 3.44Å; S806-L810 PolarHBondContact O-N 3.23Å
807	N	93.4	Very high	91.1	Very high	42 Å²	42	64 Å²	64	23%	0.225	34%	0.335	C	S	.	.	H	α-helix	trans	-62	-44.8	170.9	-92.5	-78.7	0	0	0	112.1	L803 N804 L810 R811 I835	L803-N807 VanDerWaalsContact O-CB 3.3Å; L803-N807 WeakPolarHBondContact O-CB 3.48Å; L803-N807 PolarHBondContact O-N 3.43Å; L803-N807 PolarHBondContact O-ND2 2.88Å; N804-N807 PolarHBondContact O-N 2.78Å; N807-L810 PolarHBondContact O-N 3.22Å; N807-R811 VanDerWaalsContact O-CG 3.3Å; N807-R811 WeakPolarHBondContact O-CG 3.37Å; N807-R811 PolarHBondContact O-N 3.44Å; N807-I835 VanDerWaalsContact ND2-CG2 3.26Å; N807-I835 WeakPolarHBondContact ND2-CG2 3.38Å
808	F	92.8	Very high	89.9	Confident	167 Å²	167	63.4 Å²	63.4	73%	0.732	35%	0.345	S	S	*	.	H	α-helix	trans	-65	-43.8	-179.7	-160.7	-83.1	0	0	0	111.2	N804 T805 R811 G812	N804-F808 WeakPolarHBondContact O-CB 3.23Å; N804-F808 PolarHBondContact O-N 2.69Å; T805-F808 PolarHBondContact O-N 3.25Å; F808-R811 PolarHBondContact O-N 3.48Å; F808-G812 PolarHBondContact O-N 2.92Å
809	F	92.1	Very high	88.7	Confident	38 Å²	38	66.1 Å²	66.1	17%	0.167	36%	0.359	C	S	.	.	H	α-helix	trans	-62.3	-46.6	173.7	174.5	-95.8	0	0	0	112.4	T805 R811 G812 A813 F823 L831 M876 L879 L880	T805-F809 WeakPolarHBondContact O-CB 3.5Å; T805-F809 PolarHBondContact O-N 2.97Å; F809-R811 VanDerWaalsContact C-N 3.32Å; F809-R811 PolarHBondContact O-N 3.32Å; F809-G812 PolarHBondContact O-N 3.37Å; F809-A813 VanDerWaalsContact O-CB 3.25Å; F809-A813 WeakPolarHBondContact O-CB 3.28Å; F809-A813 PolarHBondContact O-N 2.83Å; F809-F823 HydrophobicContact CE1-CZ 4.45Å; F809-F823 HydrophobicContact CE2-CZ 4.11Å; F809-F823 HydrophobicContact CZ-CE1 4.03Å; F809-F823 HydrophobicContact CZ-CE2 4.12Å; F809-F823 AromaticContact CZ-CZ 3.53Å; F809-F823 HydrophobicContact CZ-CZ 3.53Å; F809-L831 HydrophobicContact CD1-CD2 3.88Å; F809-L831 HydrophobicContact CE1-CD2 4.21Å; F809-M876 HydrophobicContact CB-CE 3.38Å; F809-M876 HydrophobicContact CB-SD 3.88Å; F809-M876 HydrophobicContact CD1-CE 4.13Å; F809-M876 HydrophobicContact CD1-SD 3.69Å; F809-M876 HydrophobicContact CD2-CE 4.1Å; F809-M876 HydrophobicContact CE1-SD 4.41Å; F809-M876 HydrophobicContact CG-CE 3.61Å; F809-M876 HydrophobicContact CG-SD 3.82Å; F809-L879 HydrophobicContact CE1-CB 3.68Å; F809-L879 HydrophobicContact CE1-CD1 4.06Å; F809-L879 HydrophobicContact CZ-CB 3.77Å; F809-L880 HydrophobicContact CD2-CD2 3.87Å; F809-L880 HydrophobicContact CE2-CD2 3.66Å; F809-L880 HydrophobicContact CE2-CG 4.29Å; F809-L880 HydrophobicContact CZ-CD2 4.41Å
810	L	91.6	Very high	87.6	Confident	7 Å²	7	69 Å²	69	4%	0.037	37%	0.374	C	S	.	.	H	α-helix	trans	-58.6	-42.9	177.3	177.6	66	0	0	0	111.9	S806 N807 A813 K814 L828 L831 E832 I835	S806-L810 VanDerWaalsContact O-CB 3.25Å; S806-L810 WeakPolarHBondContact O-CB 3.44Å; S806-L810 PolarHBondContact O-N 3.23Å; N807-L810 PolarHBondContact O-N 3.22Å; L810-A813 PolarHBondContact O-N 2.9Å; L810-K814 HydrophobicContact CD1-CD 4.4Å; L810-K814 HydrophobicContact CD1-CG 4.45Å; L810-K814 WeakPolarHBondContact O-CB 3.47Å; L810-K814 WeakPolarHBondContact O-CG 3.31Å; L810-K814 PolarHBondContact O-N 2.82Å; L810-L828 HydrophobicContact CD1-CB 4.13Å; L810-L828 HydrophobicContact CD1-CD2 4.2Å; L810-L828 WeakPolarHBondContact CD1-O 3.4Å; L810-L831 HydrophobicContact CB-CD2 4.26Å; L810-L831 HydrophobicContact CD1-CD2 4.47Å; L810-E832 HydrophobicContact CD1-CB 4.38Å; L810-E832 HydrophobicContact CD2-CB 3.59Å; L810-E832 HydrophobicContact CD2-CG 3.83Å; L810-I835 HydrophobicContact CB-CD1 4.32Å; L810-I835 HydrophobicContact CD2-CD1 3.92Å
811	R	90.3	Very high	86.9	Confident	172 Å²	172	68.7 Å²	68.7	65%	0.649	37%	0.371	S	S	*	.	H	α-helix	trans	-62.6	-47.8	174.5	-71.8	174	-174.1	-171.3	3.2	111.5	N807 F808 F809 A813 K814 L815	N807-R811 VanDerWaalsContact O-CG 3.3Å; N807-R811 WeakPolarHBondContact O-CG 3.37Å; N807-R811 PolarHBondContact O-N 3.44Å; F808-R811 PolarHBondContact O-N 3.48Å; F809-R811 VanDerWaalsContact C-N 3.32Å; F809-R811 PolarHBondContact O-N 3.32Å; R811-A813 PolarHBondContact O-N 2.87Å; R811-K814 PolarHBondContact O-N 3.43Å; R811-L815 VanDerWaalsContact O-CG 3.28Å; R811-L815 WeakPolarHBondContact O-CG 3.29Å; R811-L815 PolarHBondContact O-N 2.84Å
812	G	88.8	Confident	86.4	Confident	37 Å²	37	67.3 Å²	67.3	38%	0.381	36%	0.363	S	S	.	.	H	α-helix	trans	-59.4	-44.8	176.1	0	0	0	0	0	112.8	F808 F809 K814 L815 I816	F808-G812 PolarHBondContact O-N 2.92Å; F809-G812 PolarHBondContact O-N 3.37Å; G812-K814 PolarHBondContact O-N 2.87Å; G812-L815 PolarHBondContact O-N 2.86Å; G812-L815 VanDerWaalsContact O-N 3.12Å; G812-I816 PolarHBondContact O-N 2.96Å
813	A	86.3	Confident	86.1	Confident	3 Å²	3	66.9 Å²	66.9	3%	0.025	36%	0.36	C	S	.	.	H	α-helix	trans	-62.7	-40.7	178.3	0	0	0	0	0	113	F809 L810 R811 L815 I816 Q821 F823 L828	F809-A813 VanDerWaalsContact O-CB 3.25Å; F809-A813 WeakPolarHBondContact O-CB 3.28Å; F809-A813 PolarHBondContact O-N 2.83Å; L810-A813 PolarHBondContact O-N 2.9Å; R811-A813 PolarHBondContact O-N 2.87Å; A813-L815 VanDerWaalsContact C-N 3.25Å; A813-L815 PolarHBondContact O-N 3.04Å; A813-I816 PolarHBondContact O-N 2.89Å; A813-Q821 PolarHBondContact O-NE2 2.9Å; A813-F823 HydrophobicContact CB-CD2 3.61Å; A813-F823 HydrophobicContact CB-CE2 3.53Å; A813-L828 HydrophobicContact CB-CD2 3.73Å
814	K	86.4	Confident	85.8	Confident	94 Å²	94	69.9 Å²	69.9	41%	0.409	38%	0.378	S	S	.	.	H	α-helix	trans	-69.9	-17.6	174.4	-75.3	-173.7	172.8	-169.3	0	113.8	L810 R811 G812 L828 E832	L810-K814 HydrophobicContact CD1-CD 4.4Å; L810-K814 HydrophobicContact CD1-CG 4.45Å; L810-K814 WeakPolarHBondContact O-CB 3.47Å; L810-K814 WeakPolarHBondContact O-CG 3.31Å; L810-K814 PolarHBondContact O-N 2.82Å; R811-K814 PolarHBondContact O-N 3.43Å; G812-K814 PolarHBondContact O-N 2.87Å; K814-L828 HydrophobicContact CG-CD1 4.05Å; K814-E832 IonicContact NZ-OE1 3.74Å; K814-E832 PolarHBondContact NZ-OE1 2.8Å; K814-E832 IonicContact NZ-OE2 3.22Å; K814-E832 PolarHBondContact NZ-OE2 3.4Å
815	L	85.3	Confident	85.3	Confident	142 Å²	142	72 Å²	72	74%	0.743	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-2.6	177.4	-69.7	169.5	0	0	0	113.9	R811 G812 A813 P817	R811-L815 VanDerWaalsContact O-CG 3.28Å; R811-L815 WeakPolarHBondContact O-CG 3.29Å; R811-L815 PolarHBondContact O-N 2.84Å; G812-L815 PolarHBondContact O-N 2.86Å; G812-L815 VanDerWaalsContact O-N 3.12Å; A813-L815 VanDerWaalsContact C-N 3.25Å; A813-L815 PolarHBondContact O-N 3.04Å; L815-P817 WeakPolarHBondContact O-CD 3.22Å
816	I	82.7	Confident	85	Confident	50 Å²	50	73 Å²	73	26%	0.256	39%	0.39	S	S	.	.	S	Bend	trans	-69.5	125.5	174.5	-54.9	174.5	0	0	0	109.2	G812 A813 D820 I822 F823	G812-I816 PolarHBondContact O-N 2.96Å; A813-I816 PolarHBondContact O-N 2.89Å; I816-D820 HydrophobicContact CG2-CB 4.18Å; I816-D820 WeakPolarHBondContact CG2-O 3.44Å; I816-I822 HydrophobicContact CD1-CD1 4.38Å; I816-I822 HydrophobicContact CD1-CG1 4.06Å; I816-F823 HydrophobicContact CD1-CD2 4.32Å; I816-F823 HydrophobicContact CD1-CE2 3.89Å
817	P	76.6	Confident	84.9	Confident	84 Å²	84	74.2 Å²	74.2	55%	0.545	40%	0.396	S	S	.	.			trans	-57	143.9	178.4	-25.8	35.1	0	0	0	112.8	L815 D819 D820 Q821	L815-P817 WeakPolarHBondContact O-CD 3.22Å; P817-D819 VanDerWaalsContact C-N 3.25Å; P817-D819 PolarHBondContact O-N 2.83Å; P817-D819 VanDerWaalsContact O-N 3.08Å; P817-D820 CarbonylContact O-C 3.53Å; P817-D820 PolarHBondContact O-N 3.38Å; P817-Q821 PolarHBondContact O-N 2.86Å
818	G	71	Confident	84.7	Confident	67 Å²	67	72.8 Å²	72.8	69%	0.691	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-33.2	-171.1	0	0	0	0	0	115.6
819	D	69.2	Low	84.7	Confident	132 Å²	132	68.2 Å²	68.2	71%	0.706	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-36.1	175.5	-66.7	-39.4	0	0	0	112.6	P817 K889	P817-D819 VanDerWaalsContact C-N 3.25Å; P817-D819 PolarHBondContact O-N 2.83Å; P817-D819 VanDerWaalsContact O-N 3.08Å; D819-K889 WeakPolarHBondContact O-CD 3.36Å; D819-K889 WeakPolarHBondContact O-CE 3.25Å; D819-K889 PolarHBondContact O-NZ 2.92Å
820	D	72.6	Confident	84.6	Confident	59 Å²	59	70.7 Å²	70.7	32%	0.316	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	2.3	-178.2	-66.5	-43.7	0	0	0	112.5	I816 P817 K891	I816-D820 HydrophobicContact CG2-CB 4.18Å; I816-D820 WeakPolarHBondContact CG2-O 3.44Å; P817-D820 CarbonylContact O-C 3.53Å; P817-D820 PolarHBondContact O-N 3.38Å; D820-K891 WeakPolarHBondContact OD1-CE 3.36Å; D820-K891 IonicContact OD1-NZ 2.69Å; D820-K891 WeakPolarHBondContact OD2-CE 3.49Å; D820-K891 IonicContact OD2-NZ 3.55Å; D820-K891 PolarHBondContact OD2-NZ 2.83Å
821	Q	81.2	Confident	84.6	Confident	47 Å²	47	70.4 Å²	70.4	22%	0.22	38%	0.383	C	S	.	.			trans	-67.1	136.5	-178	-177.6	57.3	-94	0	0	112.5	A813 P817 F823	A813-Q821 PolarHBondContact O-NE2 2.9Å; P817-Q821 PolarHBondContact O-N 2.86Å; Q821-F823 WeakPolarHBondContact CG-O 3.32Å
822	I	83.4	Confident	84.8	Confident	55 Å²	55	65.1 Å²	65.1	28%	0.282	37%	0.366	S	S	.	.			trans	-120.8	-15.9	-170.4	50.1	162.1	0	0	0	113.8	I816 K882 A883 A886	I816-I822 HydrophobicContact CD1-CD1 4.38Å; I816-I822 HydrophobicContact CD1-CG1 4.06Å; I822-K882 WeakPolarHBondContact O-CE 3.17Å; I822-A883 HydrophobicContact CD1-CB 3.75Å; I822-A886 HydrophobicContact CB-CB 4.19Å; I822-A886 HydrophobicContact CG2-CB 3.61Å
823	F	88	Confident	85.1	Confident	13 Å²	13	69 Å²	69	6%	0.057	37%	0.372	C	S	.	.	S	Bend	trans	-105.2	147.2	175.6	-46	-67.2	0	0	0	110.3	F809 A813 I816 Q821 L828 L879 A883	F809-F823 HydrophobicContact CE1-CZ 4.45Å; F809-F823 HydrophobicContact CE2-CZ 4.11Å; F809-F823 HydrophobicContact CZ-CE1 4.03Å; F809-F823 HydrophobicContact CZ-CE2 4.12Å; F809-F823 AromaticContact CZ-CZ 3.53Å; F809-F823 HydrophobicContact CZ-CZ 3.53Å; A813-F823 HydrophobicContact CB-CD2 3.61Å; A813-F823 HydrophobicContact CB-CE2 3.53Å; I816-F823 HydrophobicContact CD1-CD2 4.32Å; I816-F823 HydrophobicContact CD1-CE2 3.89Å; Q821-F823 WeakPolarHBondContact CG-O 3.32Å; F823-L828 HydrophobicContact CB-CD1 4.12Å; F823-L828 HydrophobicContact CB-CD2 3.73Å; F823-L828 HydrophobicContact CB-CG 3.81Å; F823-L828 HydrophobicContact CD2-CD2 4.02Å; F823-L828 HydrophobicContact CG-CD2 3.97Å; F823-L879 HydrophobicContact CD1-CB 4.25Å; F823-L879 HydrophobicContact CD1-CD2 4.04Å; F823-L879 HydrophobicContact CE1-CB 3.99Å; F823-L879 WeakPolarHBondContact CE1-O 3.37Å; F823-A883 HydrophobicContact CE1-CB 4.1Å; F823-A883 HydrophobicContact CZ-CB 3.89Å
824	T	88.5	Confident	85.5	Confident	68 Å²	68	69.6 Å²	69.6	42%	0.417	38%	0.375	S	S	.	.			trans	-82.3	154.5	171.6	64.6	0	0	0	0	110.6	V826 E827 L828	T824-V826 PolarHBondContact O-N 3.45Å; T824-E827 WeakPolarHBondContact CB-OE2 3.09Å; T824-E827 WeakPolarHBondContact CG2-OE2 3.4Å; T824-E827 PolarHBondContact N-OE2 2.71Å; T824-E827 WeakPolarHBondContact O-CB 3.16Å; T824-E827 PolarHBondContact O-N 3.07Å; T824-E827 VanDerWaalsContact O-N 3.14Å; T824-E827 WeakPolarHBondContact OG1-CB 3.4Å; T824-E827 VanDerWaalsContact OG1-CG 3.23Å; T824-E827 WeakPolarHBondContact OG1-CG 3.26Å; T824-E827 PolarHBondContact OG1-N 3.39Å; T824-E827 PolarHBondContact OG1-OE2 2.88Å; T824-L828 PolarHBondContact O-N 3.07Å; T824-L828 VanDerWaalsContact O-N 3.08Å
825	E	84.7	Confident	85.8	Confident	150 Å²	150	65.1 Å²	65.1	70%	0.701	36%	0.356	S	S	*	.	H	α-helix	trans	-58.6	-36.3	175.9	-172.1	175.8	-173.8	0	0	112	E827 L828 N829	E825-E827 PolarHBondContact O-N 2.8Å; E825-L828 PolarHBondContact O-N 3.37Å; E825-N829 WeakPolarHBondContact O-CB 3.43Å; E825-N829 PolarHBondContact O-N 3.26Å; E825-N829 PolarHBondContact O-ND2 2.81Å; E825-N829 PolarHBondContact O-OD1 3.17Å
826	V	88.1	Confident	86.3	Confident	104 Å²	104	62.6 Å²	62.6	63%	0.63	34%	0.343	S	S	*	.	H	α-helix	trans	-63.1	-41.1	176.1	-178.5	0	0	0	0	111.9	T824 M830	T824-V826 PolarHBondContact O-N 3.45Å; V826-M830 VanDerWaalsContact O-CB 3.31Å; V826-M830 WeakPolarHBondContact O-CB 3.5Å; V826-M830 PolarHBondContact O-N 2.88Å
827	E	90.4	Very high	86.9	Confident	28 Å²	28	65 Å²	65	13%	0.131	35%	0.353	C	S	.	.	H	α-helix	trans	-68.1	-44.1	177.8	-76	162.6	144	0	0	112.2	T824 E825 M830 L831 Y878 L879 K882	T824-E827 WeakPolarHBondContact CB-OE2 3.09Å; T824-E827 WeakPolarHBondContact CG2-OE2 3.4Å; T824-E827 PolarHBondContact N-OE2 2.71Å; T824-E827 WeakPolarHBondContact O-CB 3.16Å; T824-E827 PolarHBondContact O-N 3.07Å; T824-E827 VanDerWaalsContact O-N 3.14Å; T824-E827 WeakPolarHBondContact OG1-CB 3.4Å; T824-E827 VanDerWaalsContact OG1-CG 3.23Å; T824-E827 WeakPolarHBondContact OG1-CG 3.26Å; T824-E827 PolarHBondContact OG1-N 3.39Å; T824-E827 PolarHBondContact OG1-OE2 2.88Å; E825-E827 PolarHBondContact O-N 2.8Å; E827-M830 PolarHBondContact O-N 3.08Å; E827-L831 PolarHBondContact O-N 2.86Å; E827-Y878 HydrophobicContact CG-CE1 4.25Å; E827-Y878 WeakPolarHBondContact OE1-CE1 3.25Å; E827-Y878 PolarHBondContact OE1-OH 2.71Å; E827-L879 HydrophobicContact CB-CD2 3.83Å; E827-L879 HydrophobicContact CG-CD2 4.16Å; E827-K882 IonicContact OE1-NZ 2.74Å; E827-K882 PolarHBondContact OE1-NZ 3.28Å; E827-K882 IonicContact OE2-NZ 3.41Å; E827-K882 PolarHBondContact OE2-NZ 2.89Å
828	L	89.5	Confident	87.8	Confident	12 Å²	12	61.1 Å²	61.1	6%	0.063	33%	0.328	C	S	.	.	H	α-helix	trans	-66.8	-40	177.3	-62.9	-179.2	0	0	0	111.5	L810 A813 K814 F823 T824 E825 M830 L831 E832 L879	L810-L828 HydrophobicContact CD1-CB 4.13Å; L810-L828 HydrophobicContact CD1-CD2 4.2Å; L810-L828 WeakPolarHBondContact CD1-O 3.4Å; A813-L828 HydrophobicContact CB-CD2 3.73Å; K814-L828 HydrophobicContact CG-CD1 4.05Å; F823-L828 HydrophobicContact CB-CD1 4.12Å; F823-L828 HydrophobicContact CB-CD2 3.73Å; F823-L828 HydrophobicContact CB-CG 3.81Å; F823-L828 HydrophobicContact CD2-CD2 4.02Å; F823-L828 HydrophobicContact CG-CD2 3.97Å; T824-L828 PolarHBondContact O-N 3.07Å; T824-L828 VanDerWaalsContact O-N 3.08Å; E825-L828 PolarHBondContact O-N 3.37Å; L828-M830 VanDerWaalsContact C-N 3.3Å; L828-M830 PolarHBondContact O-N 2.97Å; L828-L831 PolarHBondContact O-N 3.3Å; L828-E832 VanDerWaalsContact O-CB 3.29Å; L828-E832 WeakPolarHBondContact O-CB 3.47Å; L828-E832 PolarHBondContact O-N 2.63Å; L828-L879 HydrophobicContact CD2-CD1 4.45Å
829	N	91.6	Very high	88.9	Confident	70 Å²	70	59.9 Å²	59.9	37%	0.374	31%	0.307	S	S	.	.	H	α-helix	trans	-69.3	-28.2	175.3	-67.3	-8.8	0	0	0	112	E825 K833	E825-N829 WeakPolarHBondContact O-CB 3.43Å; E825-N829 PolarHBondContact O-N 3.26Å; E825-N829 PolarHBondContact O-ND2 2.81Å; E825-N829 PolarHBondContact O-OD1 3.17Å; N829-K833 WeakPolarHBondContact O-CB 3.38Å; N829-K833 PolarHBondContact O-N 3.35Å
830	M	91.1	Very high	90.2	Very high	90 Å²	90	57.1 Å²	57.1	44%	0.443	30%	0.295	S	S	.	.	H	α-helix	trans	-69.7	-47.1	172.9	-170.1	179	-57.6	0	0	111.4	V826 E827 L828 K833 V834	V826-M830 VanDerWaalsContact O-CB 3.31Å; V826-M830 WeakPolarHBondContact O-CB 3.5Å; V826-M830 PolarHBondContact O-N 2.88Å; E827-M830 PolarHBondContact O-N 3.08Å; L828-M830 VanDerWaalsContact C-N 3.3Å; L828-M830 PolarHBondContact O-N 2.97Å; M830-K833 PolarHBondContact O-N 2.6Å; M830-V834 WeakPolarHBondContact O-CB 3.31Å; M830-V834 WeakPolarHBondContact O-CG2 3.33Å; M830-V834 PolarHBondContact O-N 2.87Å
831	L	91.9	Very high	91.3	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-62.4	-43	174.3	178.2	61.8	0	0	0	111.3	F809 L810 E827 L828 V834 I835 L872 E875 L879	F809-L831 HydrophobicContact CD1-CD2 3.88Å; F809-L831 HydrophobicContact CE1-CD2 4.21Å; L810-L831 HydrophobicContact CB-CD2 4.26Å; L810-L831 HydrophobicContact CD1-CD2 4.47Å; E827-L831 PolarHBondContact O-N 2.86Å; L828-L831 PolarHBondContact O-N 3.3Å; L831-V834 PolarHBondContact O-N 2.8Å; L831-I835 HydrophobicContact CD1-CD1 4.07Å; L831-I835 HydrophobicContact CD1-CG1 4.2Å; L831-I835 HydrophobicContact CD2-CD1 4.46Å; L831-I835 HydrophobicContact CG-CD1 3.84Å; L831-I835 HydrophobicContact CG-CG1 4.42Å; L831-I835 WeakPolarHBondContact O-CB 3.41Å; L831-I835 VanDerWaalsContact O-CG1 3.29Å; L831-I835 WeakPolarHBondContact O-CG1 3.44Å; L831-I835 PolarHBondContact O-N 2.97Å; L831-L872 HydrophobicContact CD1-CD1 4.11Å; L831-E875 HydrophobicContact CD1-CB 4.04Å; L831-L879 HydrophobicContact CB-CD1 4.15Å; L831-L879 HydrophobicContact CD2-CD1 3.98Å
832	E	93.6	Very high	92	Very high	61 Å²	61	55.8 Å²	55.8	29%	0.285	28%	0.284	S	S	.	.	H	α-helix	trans	-61.5	-43.8	176.5	-172.7	162.4	-113.9	0	0	112.4	L810 K814 L828 I835 N836	L810-E832 HydrophobicContact CD1-CB 4.38Å; L810-E832 HydrophobicContact CD2-CB 3.59Å; L810-E832 HydrophobicContact CD2-CG 3.83Å; K814-E832 IonicContact NZ-OE1 3.74Å; K814-E832 PolarHBondContact NZ-OE1 2.8Å; K814-E832 IonicContact NZ-OE2 3.22Å; K814-E832 PolarHBondContact NZ-OE2 3.4Å; L828-E832 VanDerWaalsContact O-CB 3.29Å; L828-E832 WeakPolarHBondContact O-CB 3.47Å; L828-E832 PolarHBondContact O-N 2.63Å; E832-I835 PolarHBondContact O-N 2.98Å; E832-N836 WeakPolarHBondContact O-CB 3.44Å; E832-N836 PolarHBondContact O-N 2.85Å; E832-N836 PolarHBondContact O-ND2 2.82Å; E832-N836 VanDerWaalsContact O-ND2 3.15Å
833	K	94.4	Very high	92.5	Very high	120 Å²	120	57.4 Å²	57.4	52%	0.522	29%	0.293	S	S	.	.	H	α-helix	trans	-58	-48.9	172.8	179.1	-178.1	172.7	-176.8	0	111.1	N829 M830 I835 N836 E837	N829-K833 WeakPolarHBondContact O-CB 3.38Å; N829-K833 PolarHBondContact O-N 3.35Å; M830-K833 PolarHBondContact O-N 2.6Å; K833-I835 PolarHBondContact O-N 2.9Å; K833-N836 PolarHBondContact O-N 2.65Å; K833-E837 WeakPolarHBondContact CE-OE1 3.38Å; K833-E837 VanDerWaalsContact CE-OE2 3.25Å; K833-E837 WeakPolarHBondContact CE-OE2 3.31Å; K833-E837 HydrophobicContact CG-CG 4.25Å; K833-E837 IonicContact NZ-OE1 2.95Å; K833-E837 PolarHBondContact NZ-OE1 3.46Å; K833-E837 WeakPolarHBondContact O-CB 3.39Å; K833-E837 WeakPolarHBondContact O-CG 3.38Å; K833-E837 PolarHBondContact O-N 3.49Å
834	V	94.3	Very high	92.8	Very high	14 Å²	14	63 Å²	63	9%	0.085	32%	0.32	C	S	.	.	H	α-helix	trans	-63	-41.9	-179.3	162.9	0	0	0	0	112.1	M830 L831 T838 L871 L872 E875	M830-V834 WeakPolarHBondContact O-CB 3.31Å; M830-V834 WeakPolarHBondContact O-CG2 3.33Å; M830-V834 PolarHBondContact O-N 2.87Å; L831-V834 PolarHBondContact O-N 2.8Å; V834-T838 WeakPolarHBondContact O-CB 3.49Å; V834-T838 PolarHBondContact O-N 2.86Å; V834-T838 PolarHBondContact O-OG1 2.99Å; V834-L871 HydrophobicContact CB-CD2 4.29Å; V834-L871 HydrophobicContact CG1-CD2 3.46Å; V834-L871 VanDerWaalsContact CG1-CD2 3.46Å; V834-L871 HydrophobicContact CG2-CD2 3.84Å; V834-L872 HydrophobicContact CG1-CB 4.35Å; V834-L872 HydrophobicContact CG1-CD1 3.88Å; V834-E875 HydrophobicContact CG2-CG 4.3Å
835	I	94.6	Very high	93	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-59.6	-49.1	173.2	-73.1	166	0	0	0	110.3	L803 N807 L810 L831 E832 K833 T838 T839 L872	L803-I835 HydrophobicContact CD2-CG2 4.3Å; N807-I835 VanDerWaalsContact ND2-CG2 3.26Å; N807-I835 WeakPolarHBondContact ND2-CG2 3.38Å; L810-I835 HydrophobicContact CB-CD1 4.32Å; L810-I835 HydrophobicContact CD2-CD1 3.92Å; L831-I835 HydrophobicContact CD1-CD1 4.07Å; L831-I835 HydrophobicContact CD1-CG1 4.2Å; L831-I835 HydrophobicContact CD2-CD1 4.46Å; L831-I835 HydrophobicContact CG-CD1 3.84Å; L831-I835 HydrophobicContact CG-CG1 4.42Å; L831-I835 WeakPolarHBondContact O-CB 3.41Å; L831-I835 VanDerWaalsContact O-CG1 3.29Å; L831-I835 WeakPolarHBondContact O-CG1 3.44Å; L831-I835 PolarHBondContact O-N 2.97Å; E832-I835 PolarHBondContact O-N 2.98Å; K833-I835 PolarHBondContact O-N 2.9Å; I835-T838 PolarHBondContact O-N 2.8Å; I835-T839 WeakPolarHBondContact O-CB 3.41Å; I835-T839 PolarHBondContact O-N 3.42Å; I835-T839 PolarHBondContact O-OG1 2.72Å; I835-L872 HydrophobicContact CG1-CD1 3.72Å
836	N	94.8	Very high	93.5	Very high	88 Å²	88	54.8 Å²	54.8	47%	0.471	28%	0.28	S	S	.	.	H	α-helix	trans	-66.4	-49.3	-177.4	-71.5	-28.5	0	0	0	112	E832 K833 T838 T839 V840	E832-N836 WeakPolarHBondContact O-CB 3.44Å; E832-N836 PolarHBondContact O-N 2.85Å; E832-N836 PolarHBondContact O-ND2 2.82Å; E832-N836 VanDerWaalsContact O-ND2 3.15Å; K833-N836 PolarHBondContact O-N 2.65Å; N836-T838 PolarHBondContact O-N 2.98Å; N836-T839 PolarHBondContact O-N 2.78Å; N836-V840 WeakPolarHBondContact O-CB 3.46Å; N836-V840 WeakPolarHBondContact O-CG2 3.24Å; N836-V840 PolarHBondContact O-N 3.5Å
837	E	95.2	Very high	93.7	Very high	101 Å²	101	51.4 Å²	51.4	47%	0.472	26%	0.263	S	S	.	.	H	α-helix	trans	-61.9	-29.1	176.6	-73.2	-177.8	155.2	0	0	112.7	K833 W841	K833-E837 WeakPolarHBondContact CE-OE1 3.38Å; K833-E837 VanDerWaalsContact CE-OE2 3.25Å; K833-E837 WeakPolarHBondContact CE-OE2 3.31Å; K833-E837 HydrophobicContact CG-CG 4.25Å; K833-E837 IonicContact NZ-OE1 2.95Å; K833-E837 PolarHBondContact NZ-OE1 3.46Å; K833-E837 WeakPolarHBondContact O-CB 3.39Å; K833-E837 WeakPolarHBondContact O-CG 3.38Å; K833-E837 PolarHBondContact O-N 3.49Å; E837-W841 WeakPolarHBondContact O-CB 3.37Å; E837-W841 PolarHBondContact O-N 2.84Å
838	T	95.5	Very high	93.9	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.012	27%	0.274	C	S	.	.	H	α-helix	trans	-80.6	-39.5	176	-58.8	0	0	0	0	111.9	L799 L803 V834 I835 N836 K842 K868	L799-T838 HydrophobicContact CD1-CG2 3.83Å; L799-T838 HydrophobicContact CD2-CG2 4.42Å; L803-T838 HydrophobicContact CD1-CG2 4.39Å; L803-T838 HydrophobicContact CD2-CG2 4.06Å; V834-T838 WeakPolarHBondContact O-CB 3.49Å; V834-T838 PolarHBondContact O-N 2.86Å; V834-T838 PolarHBondContact O-OG1 2.99Å; I835-T838 PolarHBondContact O-N 2.8Å; N836-T838 PolarHBondContact O-N 2.98Å; T838-K842 WeakPolarHBondContact O-CB 3.45Å; T838-K842 PolarHBondContact O-N 2.97Å; T838-K868 HydrophobicContact CG2-CB 4Å; T838-K868 HydrophobicContact CG2-CD 4.22Å
839	T	94.8	Very high	94.1	Very high	42 Å²	42	54 Å²	54	26%	0.258	27%	0.274	S	S	.	.	H	α-helix	trans	-66.3	-46.4	177.5	-55.3	0	0	0	0	111.3	I835 N836 K842 N843	I835-T839 WeakPolarHBondContact O-CB 3.41Å; I835-T839 PolarHBondContact O-N 3.42Å; I835-T839 PolarHBondContact O-OG1 2.72Å; N836-T839 PolarHBondContact O-N 2.78Å; T839-K842 PolarHBondContact O-N 3.45Å; T839-N843 WeakPolarHBondContact O-CB 3.45Å; T839-N843 PolarHBondContact O-N 2.9Å; T839-N843 PolarHBondContact O-ND2 3.03Å
840	V	95.8	Very high	94	Very high	73 Å²	73	57.9 Å²	57.9	44%	0.442	29%	0.29	S	S	.	.	H	α-helix	trans	-60.3	-53.1	175.2	171.4	0	0	0	0	109.8	N836 K842 N843 E844	N836-V840 WeakPolarHBondContact O-CB 3.46Å; N836-V840 WeakPolarHBondContact O-CG2 3.24Å; N836-V840 PolarHBondContact O-N 3.5Å; V840-K842 VanDerWaalsContact C-N 3.33Å; V840-K842 PolarHBondContact O-N 3.28Å; V840-N843 PolarHBondContact O-N 3.45Å; V840-E844 VanDerWaalsContact CG1-CD 3.5Å; V840-E844 HydrophobicContact CG1-CG 4.23Å; V840-E844 WeakPolarHBondContact O-CB 3.41Å; V840-E844 WeakPolarHBondContact O-CG 3.34Å; V840-E844 PolarHBondContact O-N 3.45Å
841	W	96.1	Very high	94.1	Very high	51 Å²	51	61.7 Å²	61.7	19%	0.193	30%	0.304	C	S	.	.	H	α-helix	trans	-55.8	-44.1	177.9	170.3	80.4	0	0	0	113	L799 E837 T845 L860 D864 I865 K868	L799-W841 HydrophobicContact CD2-CZ3 4.06Å; E837-W841 WeakPolarHBondContact O-CB 3.37Å; E837-W841 PolarHBondContact O-N 2.84Å; W841-T845 HydrophobicContact CZ2-CG2 4.43Å; W841-T845 PolarHBondContact NE1-OG1 2.75Å; W841-T845 VanDerWaalsContact O-CB 3.23Å; W841-T845 WeakPolarHBondContact O-CB 3.42Å; W841-T845 PolarHBondContact O-N 3.02Å; W841-T845 PolarHBondContact O-OG1 3.4Å; W841-L860 HydrophobicContact CH2-CD1 4.43Å; W841-D864 HydrophobicContact CZ2-CB 4.13Å; W841-I865 HydrophobicContact CH2-CB 4.38Å; W841-I865 HydrophobicContact CH2-CG1 3.87Å; W841-K868 HydrophobicContact CD2-CD 4.12Å; W841-K868 HydrophobicContact CD2-CG 4.13Å; W841-K868 HydrophobicContact CE3-CB 4.44Å; W841-K868 HydrophobicContact CE3-CD 3.97Å; W841-K868 HydrophobicContact CE3-CG 3.73Å; W841-K868 HydrophobicContact CH2-CG 4.12Å; W841-K868 HydrophobicContact CZ2-CG 4.48Å; W841-K868 HydrophobicContact CZ3-CB 4.2Å; W841-K868 HydrophobicContact CZ3-CD 4.48Å; W841-K868 HydrophobicContact CZ3-CG 3.73Å
842	K	95.3	Very high	94.1	Very high	28 Å²	28	66 Å²	66	12%	0.122	32%	0.321	C	S	.	.	H	α-helix	trans	-61.5	-51	179.4	-167	-155.3	78.5	172.5	0	110.2	L796 L799 D800 T838 T839 V840 E844 T845 V846	L796-K842 HydrophobicContact CD2-CD 4.32Å; L796-K842 HydrophobicContact CD2-CG 4.16Å; L799-K842 HydrophobicContact CD2-CB 4.21Å; L799-K842 HydrophobicContact CD2-CD 3.96Å; L799-K842 HydrophobicContact CD2-CG 3.82Å; D800-K842 IonicContact OD1-NZ 3.7Å; D800-K842 PolarHBondContact OD1-NZ 2.77Å; D800-K842 IonicContact OD2-NZ 2.73Å; D800-K842 PolarHBondContact OD2-NZ 3.44Å; T838-K842 WeakPolarHBondContact O-CB 3.45Å; T838-K842 PolarHBondContact O-N 2.97Å; T839-K842 PolarHBondContact O-N 3.45Å; V840-K842 VanDerWaalsContact C-N 3.33Å; V840-K842 PolarHBondContact O-N 3.28Å; K842-E844 PolarHBondContact O-N 2.8Å; K842-T845 PolarHBondContact O-N 3.14Å; K842-V846 HydrophobicContact CG-CG2 4.3Å; K842-V846 VanDerWaalsContact O-CB 3.31Å; K842-V846 WeakPolarHBondContact O-CB 3.46Å; K842-V846 VanDerWaalsContact O-CG2 3.23Å; K842-V846 WeakPolarHBondContact O-CG2 3.48Å; K842-V846 PolarHBondContact O-N 2.9Å
843	N	94.4	Very high	94	Very high	88 Å²	88	65.3 Å²	65.3	47%	0.471	32%	0.322	S	S	.	.	H	α-helix	trans	-65.6	-40.9	-176.1	-65.6	-10.5	0	0	0	111.8	T839 V840 A847	T839-N843 WeakPolarHBondContact O-CB 3.45Å; T839-N843 PolarHBondContact O-N 2.9Å; T839-N843 PolarHBondContact O-ND2 3.03Å; V840-N843 PolarHBondContact O-N 3.45Å; N843-A847 WeakPolarHBondContact O-CB 3.34Å; N843-A847 PolarHBondContact O-N 2.95Å
844	E	94.9	Very high	93.7	Very high	130 Å²	130	62.3 Å²	62.3	61%	0.607	32%	0.315	S	S	*	.	H	α-helix	trans	-66.3	-46.7	175.7	-70.9	177.3	159.9	0	0	111.9	V840 K842 A847 E848	V840-E844 VanDerWaalsContact CG1-CD 3.5Å; V840-E844 HydrophobicContact CG1-CG 4.23Å; V840-E844 WeakPolarHBondContact O-CB 3.41Å; V840-E844 WeakPolarHBondContact O-CG 3.34Å; V840-E844 PolarHBondContact O-N 3.45Å; K842-E844 PolarHBondContact O-N 2.8Å; E844-A847 CarbonylContact O-C 3.51Å; E844-A847 PolarHBondContact O-N 2.68Å; E844-E848 PolarHBondContact O-N 2.79Å
845	T	93.1	Very high	93.6	Very high	16 Å²	16	64.6 Å²	64.6	10%	0.098	33%	0.325	C	S	.	.	H	α-helix	trans	-70.3	-39.9	-176.7	-49.3	0	0	0	0	112	W841 K842 E848 Q849 V859 L860	W841-T845 HydrophobicContact CZ2-CG2 4.43Å; W841-T845 PolarHBondContact NE1-OG1 2.75Å; W841-T845 VanDerWaalsContact O-CB 3.23Å; W841-T845 WeakPolarHBondContact O-CB 3.42Å; W841-T845 PolarHBondContact O-N 3.02Å; W841-T845 PolarHBondContact O-OG1 3.4Å; K842-T845 PolarHBondContact O-N 3.14Å; T845-E848 PolarHBondContact O-N 3.18Å; T845-Q849 WeakPolarHBondContact O-CB 3.34Å; T845-Q849 PolarHBondContact O-N 2.82Å; T845-V859 HydrophobicContact CG2-CG1 4.3Å; T845-L860 HydrophobicContact CG2-CB 4.15Å; T845-L860 HydrophobicContact CG2-CD1 3.78Å
846	V	94.3	Very high	93.4	Very high	30 Å²	30	69 Å²	69	18%	0.182	35%	0.345	C	S	.	.	H	α-helix	trans	-63.9	-47.4	172.8	171.9	0	0	0	0	110	L796 K842 E848 Q849 E850 L860	L796-V846 HydrophobicContact CD1-CG2 4.43Å; L796-V846 HydrophobicContact CD2-CG2 4.12Å; K842-V846 HydrophobicContact CG-CG2 4.3Å; K842-V846 VanDerWaalsContact O-CB 3.31Å; K842-V846 WeakPolarHBondContact O-CB 3.46Å; K842-V846 VanDerWaalsContact O-CG2 3.23Å; K842-V846 WeakPolarHBondContact O-CG2 3.48Å; K842-V846 PolarHBondContact O-N 2.9Å; V846-E848 PolarHBondContact O-N 2.75Å; V846-Q849 WeakPolarHBondContact O-CB 3.39Å; V846-Q849 PolarHBondContact O-N 3.37Å; V846-E850 HydrophobicContact CG1-CG 4.27Å; V846-E850 WeakPolarHBondContact O-CG 3.37Å; V846-E850 PolarHBondContact O-N 3.08Å; V846-L860 HydrophobicContact CG2-CD1 4.29Å; V846-L860 HydrophobicContact CG2-CD2 4.06Å
847	A	93.3	Very high	93.2	Very high	33 Å²	33	73.1 Å²	73.1	27%	0.273	35%	0.354	S	S	.	.	H	α-helix	trans	-70.4	-14.8	178.8	0	0	0	0	0	114	N843 E844 K851	N843-A847 WeakPolarHBondContact O-CB 3.34Å; N843-A847 PolarHBondContact O-N 2.95Å; E844-A847 CarbonylContact O-C 3.51Å; E844-A847 PolarHBondContact O-N 2.68Å; A847-K851 VanDerWaalsContact O-CD 3.3Å; A847-K851 WeakPolarHBondContact O-CD 3.36Å; A847-K851 VanDerWaalsContact O-CE 3.24Å; A847-K851 WeakPolarHBondContact O-CE 3.32Å; A847-K851 WeakPolarHBondContact O-CG 3.39Å; A847-K851 PolarHBondContact O-NZ 3.41Å
848	E	93.4	Very high	93	Very high	81 Å²	81	68.5 Å²	68.5	38%	0.379	33%	0.333	S	S	.	.	H	α-helix	trans	-80	-43.8	163.8	-164.4	-169.3	144.1	0	0	110.7	E844 T845 V846 E850 K851 R852	E844-E848 PolarHBondContact O-N 2.79Å; T845-E848 PolarHBondContact O-N 3.18Å; V846-E848 PolarHBondContact O-N 2.75Å; E848-E850 VanDerWaalsContact C-N 3.35Å; E848-E850 PolarHBondContact O-N 3.11Å; E848-K851 PolarHBondContact O-N 3.11Å; E848-K851 VanDerWaalsContact O-N 3.1Å; E848-R852 PolarHBondContact O-N 2.86Å; E848-R852 IonicContact OE1-CZ 3.94Å; E848-R852 VanDerWaalsContact OE1-CZ 3.24Å; E848-R852 IonicContact OE1-NE 3.6Å; E848-R852 PolarHBondContact OE1-NE 3.16Å; E848-R852 IonicContact OE1-NH2 2.62Å; E848-R852 PolarHBondContact OE1-NH2 2.77Å
849	Q	93.1	Very high	92.9	Very high	13 Å²	13	70.8 Å²	70.8	6%	0.061	35%	0.347	C	S	.	.	H	α-helix	trans	-63.1	-37.1	-179	-174.8	56	71.8	0	0	113.3	W792 T845 V846 K851 R852 P858 L860	W792-Q849 HydrophobicContact CH2-CG 3.74Å; W792-Q849 HydrophobicContact CZ2-CG 4.45Å; W792-Q849 HydrophobicContact CZ3-CG 3.88Å; T845-Q849 WeakPolarHBondContact O-CB 3.34Å; T845-Q849 PolarHBondContact O-N 2.82Å; V846-Q849 WeakPolarHBondContact O-CB 3.39Å; V846-Q849 PolarHBondContact O-N 3.37Å; Q849-K851 PolarHBondContact O-N 3.3Å; Q849-R852 PolarHBondContact O-N 3.32Å; Q849-P858 VanDerWaalsContact OE1-CB 3.31Å; Q849-L860 HydrophobicContact CB-CB 3.92Å; Q849-L860 HydrophobicContact CG-CB 3.85Å
850	E	91.3	Very high	92.9	Very high	152 Å²	152	68.9 Å²	68.9	71%	0.71	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-20.7	175.1	-72.7	173.3	164.8	0	0	113.5	V846 E848	V846-E850 HydrophobicContact CG1-CG 4.27Å; V846-E850 WeakPolarHBondContact O-CG 3.37Å; V846-E850 PolarHBondContact O-N 3.08Å; E848-E850 VanDerWaalsContact C-N 3.35Å; E848-E850 PolarHBondContact O-N 3.11Å
851	K	92.2	Very high	92.9	Very high	170 Å²	170	66.9 Å²	66.9	74%	0.739	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-11.4	179.2	-64.4	174.9	-172.9	119.2	0	113.5	A847 E848 Q849	A847-K851 VanDerWaalsContact O-CD 3.3Å; A847-K851 WeakPolarHBondContact O-CD 3.36Å; A847-K851 VanDerWaalsContact O-CE 3.24Å; A847-K851 WeakPolarHBondContact O-CE 3.32Å; A847-K851 WeakPolarHBondContact O-CG 3.39Å; A847-K851 PolarHBondContact O-NZ 3.41Å; E848-K851 PolarHBondContact O-N 3.11Å; E848-K851 VanDerWaalsContact O-N 3.1Å; Q849-K851 PolarHBondContact O-N 3.3Å
852	R	91.9	Very high	92.8	Very high	92 Å²	92	64.5 Å²	64.5	35%	0.347	31%	0.313	S	S	.	.	S	Bend	trans	-90.7	151.7	-177.5	-75.9	175.7	174.7	-98.2	7.7	111.3	E848 Q849 E856 V859	E848-R852 PolarHBondContact O-N 2.86Å; E848-R852 IonicContact OE1-CZ 3.94Å; E848-R852 VanDerWaalsContact OE1-CZ 3.24Å; E848-R852 IonicContact OE1-NE 3.6Å; E848-R852 PolarHBondContact OE1-NE 3.16Å; E848-R852 IonicContact OE1-NH2 2.62Å; E848-R852 PolarHBondContact OE1-NH2 2.77Å; Q849-R852 PolarHBondContact O-N 3.32Å; R852-E856 WeakPolarHBondContact CB-OE2 3.46Å; R852-V859 VanDerWaalsContact NE-CG2 3.26Å
853	S	91	Very high	92.8	Very high	46 Å²	46	71 Å²	71	32%	0.322	34%	0.337	S	S	.	.			trans	-63	143.5	178.5	176.8	0	0	0	0	110.8	H855 E856	S853-H855 PolarHBondContact O-N 2.78Å; S853-H855 VanDerWaalsContact O-N 3.14Å; S853-H855 PolarHBondContact OG-CD2 2.69Å; S853-H855 PolarHBondContact OG-N 3.47Å; S853-E856 PolarHBondContact N-OE2 3.26Å; S853-E856 PolarHBondContact O-N 3.08Å
854	P	89.3	Confident	92.8	Very high	57 Å²	57	68.9 Å²	68.9	37%	0.37	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-32.2	173.3	-28.7	37.2	0	0	0	114.1	Q735 R789	Q735-P854 WeakPolarHBondContact O-CB 3.2Å; R789-P854 VanDerWaalsContact NH2-CA 3.32Å; R789-P854 PolarHBondContact NH2-O 3.25Å
855	H	91.3	Very high	92.8	Very high	63 Å²	63	62.7 Å²	62.7	29%	0.292	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-10.8	-179.5	-41.2	-69.2	0	0	0	114	V736 V737 T738 R785 S853	V736-H855 WeakPolarHBondContact O-CA 3.46Å; V736-H855 PolarHBondContact O-ND1 2.72Å; V736-H855 VanDerWaalsContact O-ND1 3.14Å; V737-H855 VanDerWaalsContact C-ND1 3.32Å; V737-H855 PolarHBondContact O-CE1 3.05Å; V737-H855 PolarHBondContact O-ND1 3.19Å; V737-H855 VanDerWaalsContact O-ND1 3.15Å; T738-H855 HydrophobicContact CG2-CB 3.93Å; R785-H855 PolarHBondContact NE-O 3.15Å; R785-H855 VanDerWaalsContact NE-O 3.1Å; R785-H855 PolarHBondContact NH1-O 2.84Å; S853-H855 PolarHBondContact O-N 2.78Å; S853-H855 VanDerWaalsContact O-N 3.14Å; S853-H855 PolarHBondContact OG-CD2 2.69Å; S853-H855 PolarHBondContact OG-N 3.47Å
856	E	89.9	Confident	92.9	Very high	92 Å²	92	64.9 Å²	64.9	43%	0.43	31%	0.306	S	S	.	.	S	Bend	trans	-79.4	156.9	174.8	-79.6	173.2	159.3	0	0	111.7	R852 S853 P858	R852-E856 WeakPolarHBondContact CB-OE2 3.46Å; S853-E856 PolarHBondContact N-OE2 3.26Å; S853-E856 PolarHBondContact O-N 3.08Å; E856-P858 WeakPolarHBondContact O-CD 3.44Å
857	R	90.8	Very high	92.9	Very high	175 Å²	175	66.4 Å²	66.4	66%	0.66	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-61.7	126.7	170.9	-177.8	176.9	176.8	155.3	2.9	109.9	F784	F784-R857 HydrophobicContact CE1-CG 4.05Å
858	P	92.4	Very high	93	Very high	5 Å²	5	67.2 Å²	67.2	3%	0.032	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-61.5	151.2	177.5	-26.6	35.8	0	0	0	114.8	E788 W792 Q849 E856 L861	E788-P858 HydrophobicContact CB-CG 4.33Å; W792-P858 HydrophobicContact CH2-CB 3.93Å; W792-P858 HydrophobicContact CH2-CG 4.02Å; W792-P858 HydrophobicContact CZ2-CB 3.59Å; W792-P858 HydrophobicContact CZ2-CG 3.88Å; Q849-P858 VanDerWaalsContact OE1-CB 3.31Å; E856-P858 WeakPolarHBondContact O-CD 3.44Å; P858-L861 HydrophobicContact CB-CD2 4.44Å
859	V	93	Very high	93	Very high	49 Å²	49	64.5 Å²	64.5	30%	0.297	30%	0.303	S	S	.	.	S	Bend	trans	-102.8	-32.3	169.5	177.4	0	0	0	0	110.9	T845 R852 L861	T845-V859 HydrophobicContact CG2-CG1 4.3Å; R852-V859 VanDerWaalsContact NE-CG2 3.26Å; V859-L861 PolarHBondContact O-N 3.5Å; V859-L861 VanDerWaalsContact O-N 3.08Å
860	L	93.4	Very high	93	Very high	3 Å²	3	69.2 Å²	69.2	2%	0.016	33%	0.328	C	S	.	.	S	Bend	trans	-73.5	99	168	-174.5	68.1	0	0	0	108.6	W792 L796 W841 T845 V846 Q849 I865	W792-L860 HydrophobicContact CD2-CD2 3.94Å; W792-L860 HydrophobicContact CE3-CD2 4.35Å; W792-L860 HydrophobicContact CG-CD2 4.05Å; W792-L860 HydrophobicContact CZ2-CB 4.33Å; W792-L860 VanDerWaalsContact CZ2-O 3.26Å; W792-L860 WeakPolarHBondContact CZ2-O 3.22Å; W792-L860 PolarHBondContact NE1-O 2.95Å; L796-L860 HydrophobicContact CD1-CD2 4.19Å; L796-L860 HydrophobicContact CD2-CD2 4.46Å; W841-L860 HydrophobicContact CH2-CD1 4.43Å; T845-L860 HydrophobicContact CG2-CB 4.15Å; T845-L860 HydrophobicContact CG2-CD1 3.78Å; V846-L860 HydrophobicContact CG2-CD1 4.29Å; V846-L860 HydrophobicContact CG2-CD2 4.06Å; Q849-L860 HydrophobicContact CB-CB 3.92Å; Q849-L860 HydrophobicContact CG-CB 3.85Å; L860-I865 HydrophobicContact CD1-CD1 3.96Å; L860-I865 HydrophobicContact CD1-CG1 3.98Å; L860-I865 HydrophobicContact CD2-CD1 4.39Å; L860-I865 HydrophobicContact CG-CD1 4.04Å
861	L	95.7	Very high	93.2	Very high	30 Å²	30	65.1 Å²	65.1	16%	0.157	31%	0.311	C	S	.	.			trans	-99.9	133.1	179.3	-59.4	-174.4	0	0	0	110.9	F784 P858 V859 R863 D864 I865	F784-L861 HydrophobicContact CE1-CD2 4.38Å; F784-L861 HydrophobicContact CZ-CD2 3.87Å; P858-L861 HydrophobicContact CB-CD2 4.44Å; V859-L861 PolarHBondContact O-N 3.5Å; V859-L861 VanDerWaalsContact O-N 3.08Å; L861-R863 VanDerWaalsContact C-N 3.31Å; L861-R863 PolarHBondContact O-N 3.41Å; L861-D864 HydrophobicContact CB-CB 4.29Å; L861-D864 WeakPolarHBondContact O-CA 3.24Å; L861-D864 WeakPolarHBondContact O-CB 3.39Å; L861-D864 PolarHBondContact O-N 3.29Å; L861-I865 PolarHBondContact O-N 3.3Å; L861-I865 VanDerWaalsContact O-N 3.09Å
862	S	94.4	Very high	93.2	Very high	1 Å²	1	57 Å²	57	1%	0.007	28%	0.275	C	S	.	.	H	α-helix	trans	-54.1	-46.6	-179.9	-63.5	0	0	0	0	111.9	E788 K791 D864 I865 E866	E788-S862 VanDerWaalsContact OE2-CB 3.24Å; E788-S862 WeakPolarHBondContact OE2-CB 3.33Å; E788-S862 PolarHBondContact OE2-N 2.93Å; E788-S862 PolarHBondContact OE2-OG 3.44Å; K791-S862 WeakPolarHBondContact CB-OG 3.49Å; K791-S862 WeakPolarHBondContact CD-OG 3.34Å; S862-D864 PolarHBondContact O-N 2.98Å; S862-I865 WeakPolarHBondContact O-CB 3.46Å; S862-I865 PolarHBondContact O-N 3.46Å; S862-I865 VanDerWaalsContact O-N 3.15Å; S862-E866 WeakPolarHBondContact O-CB 3.23Å; S862-E866 VanDerWaalsContact O-CG 3.23Å; S862-E866 WeakPolarHBondContact O-CG 3.42Å; S862-E866 PolarHBondContact O-N 2.61Å
863	R	94.8	Very high	93.2	Very high	166 Å²	166	55.8 Å²	55.8	63%	0.626	27%	0.274	S	S	*	.	H	α-helix	trans	-55.4	-34.1	175	-171.9	-157	66.5	-177.2	-5.1	112.7	L861 S867	L861-R863 VanDerWaalsContact C-N 3.31Å; L861-R863 PolarHBondContact O-N 3.41Å; R863-S867 WeakPolarHBondContact O-CB 3.48Å; R863-S867 PolarHBondContact O-N 2.86Å
864	D	95	Very high	93.3	Very high	43 Å²	43	60.9 Å²	60.9	23%	0.23	29%	0.286	C	S	.	.	H	α-helix	trans	-82	-33.4	-176.4	-61.6	-8.7	0	0	0	110.1	W841 L861 S862 S867 K868	W841-D864 HydrophobicContact CZ2-CB 4.13Å; L861-D864 HydrophobicContact CB-CB 4.29Å; L861-D864 WeakPolarHBondContact O-CA 3.24Å; L861-D864 WeakPolarHBondContact O-CB 3.39Å; L861-D864 PolarHBondContact O-N 3.29Å; S862-D864 PolarHBondContact O-N 2.98Å; D864-S867 PolarHBondContact O-N 2.83Å; D864-S867 PolarHBondContact O-OG 3.35Å; D864-K868 VanDerWaalsContact O-CG 3.29Å; D864-K868 WeakPolarHBondContact O-CG 3.19Å; D864-K868 PolarHBondContact O-N 3.26Å
865	I	94.8	Very high	93.4	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.9	-51.9	165	-55	168.1	0	0	0	110.6	L795 L796 L799 W841 L860 L861 S862 S867 K868 L869	L795-I865 HydrophobicContact CB-CB 4.39Å; L795-I865 HydrophobicContact CB-CD1 4.16Å; L795-I865 HydrophobicContact CB-CG2 3.86Å; L795-I865 WeakPolarHBondContact O-CG2 3.47Å; L796-I865 HydrophobicContact CD2-CD1 4.01Å; L796-I865 HydrophobicContact CG-CD1 4.27Å; L799-I865 HydrophobicContact CB-CG2 4.21Å; L799-I865 HydrophobicContact CD2-CG2 4.07Å; W841-I865 HydrophobicContact CH2-CB 4.38Å; W841-I865 HydrophobicContact CH2-CG1 3.87Å; L860-I865 HydrophobicContact CD1-CD1 3.96Å; L860-I865 HydrophobicContact CD1-CG1 3.98Å; L860-I865 HydrophobicContact CD2-CD1 4.39Å; L860-I865 HydrophobicContact CG-CD1 4.04Å; L861-I865 PolarHBondContact O-N 3.3Å; L861-I865 VanDerWaalsContact O-N 3.09Å; S862-I865 WeakPolarHBondContact O-CB 3.46Å; S862-I865 PolarHBondContact O-N 3.46Å; S862-I865 VanDerWaalsContact O-N 3.15Å; I865-S867 VanDerWaalsContact C-N 3.25Å; I865-S867 PolarHBondContact O-N 2.66Å; I865-K868 WeakPolarHBondContact O-CB 3.1Å; I865-K868 PolarHBondContact O-N 2.81Å; I865-L869 PolarHBondContact O-N 3.38Å
866	E	95.3	Very high	93.4	Very high	62 Å²	62	56.9 Å²	56.9	29%	0.29	26%	0.262	S	S	.	.	H	α-helix	trans	-52.9	-42.9	176.5	-69.7	161.4	-163.9	0	0	110.7	K791 L795 S862 K868 L869 L870	K791-E866 IonicContact NZ-OE1 3.14Å; K791-E866 PolarHBondContact NZ-OE1 3.12Å; L795-E866 HydrophobicContact CD1-CG 4.1Å; L795-E866 HydrophobicContact CD2-CG 3.96Å; S862-E866 WeakPolarHBondContact O-CB 3.23Å; S862-E866 VanDerWaalsContact O-CG 3.23Å; S862-E866 WeakPolarHBondContact O-CG 3.42Å; S862-E866 PolarHBondContact O-N 2.61Å; E866-K868 PolarHBondContact O-N 3.41Å; E866-L869 PolarHBondContact O-N 3.11Å; E866-L870 WeakPolarHBondContact O-CB 3.15Å; E866-L870 WeakPolarHBondContact O-CG 3.46Å; E866-L870 PolarHBondContact O-N 2.7Å
867	S	95.1	Very high	93.5	Very high	61 Å²	61	56.3 Å²	56.3	43%	0.427	26%	0.262	S	S	.	.	H	α-helix	trans	-64.3	-36.2	178.3	82.5	0	0	0	0	113.8	R863 D864 I865 L871	R863-S867 WeakPolarHBondContact O-CB 3.48Å; R863-S867 PolarHBondContact O-N 2.86Å; D864-S867 PolarHBondContact O-N 2.83Å; D864-S867 PolarHBondContact O-OG 3.35Å; I865-S867 VanDerWaalsContact C-N 3.25Å; I865-S867 PolarHBondContact O-N 2.66Å; S867-L871 WeakPolarHBondContact O-CB 3.1Å; S867-L871 PolarHBondContact O-N 2.81Å; S867-L871 VanDerWaalsContact O-N 3.16Å
868	K	94.9	Very high	93.5	Very high	50 Å²	50	53.9 Å²	53.9	22%	0.217	25%	0.254	C	S	.	.	H	α-helix	trans	-74.9	-41.9	178.8	-69.3	-85	-174.9	165.1	0	111.1	L799 T838 W841 D864 I865 E866 L871 L872	L799-K868 HydrophobicContact CD1-CB 4.46Å; T838-K868 HydrophobicContact CG2-CB 4Å; T838-K868 HydrophobicContact CG2-CD 4.22Å; W841-K868 HydrophobicContact CD2-CD 4.12Å; W841-K868 HydrophobicContact CD2-CG 4.13Å; W841-K868 HydrophobicContact CE3-CB 4.44Å; W841-K868 HydrophobicContact CE3-CD 3.97Å; W841-K868 HydrophobicContact CE3-CG 3.73Å; W841-K868 HydrophobicContact CH2-CG 4.12Å; W841-K868 HydrophobicContact CZ2-CG 4.48Å; W841-K868 HydrophobicContact CZ3-CB 4.2Å; W841-K868 HydrophobicContact CZ3-CD 4.48Å; W841-K868 HydrophobicContact CZ3-CG 3.73Å; D864-K868 VanDerWaalsContact O-CG 3.29Å; D864-K868 WeakPolarHBondContact O-CG 3.19Å; D864-K868 PolarHBondContact O-N 3.26Å; I865-K868 WeakPolarHBondContact O-CB 3.1Å; I865-K868 PolarHBondContact O-N 2.81Å; E866-K868 PolarHBondContact O-N 3.41Å; K868-L871 PolarHBondContact O-N 3.04Å; K868-L872 WeakPolarHBondContact O-CB 3.46Å; K868-L872 PolarHBondContact O-N 3.17Å
869	L	93.3	Very high	93.4	Very high	24 Å²	24	53.8 Å²	53.8	13%	0.126	25%	0.253	C	S	.	.	H	α-helix	trans	-57.5	-52.7	173.3	-177.4	111.3	0	0	0	110.9	D798 L799 I865 E866 L871 L872 Q873	D798-L869 HydrophobicContact CB-CD1 3.89Å; L799-L869 HydrophobicContact CD1-CB 4.43Å; I865-L869 PolarHBondContact O-N 3.38Å; E866-L869 PolarHBondContact O-N 3.11Å; L869-L871 VanDerWaalsContact C-N 3.33Å; L869-L871 PolarHBondContact O-N 3.45Å; L869-L872 PolarHBondContact O-N 3.45Å; L869-Q873 HydrophobicContact CG-CG 4.49Å; L869-Q873 WeakPolarHBondContact O-CB 3.42Å; L869-Q873 VanDerWaalsContact O-CG 3.28Å; L869-Q873 WeakPolarHBondContact O-CG 3.38Å; L869-Q873 PolarHBondContact O-N 2.86Å
870	L	94.2	Very high	93.2	Very high	112 Å²	112	54 Å²	54	59%	0.586	25%	0.253	S	S	*	.	H	α-helix	trans	-59.6	-41	178.3	-73.7	170.6	0	0	0	112.7	E866 R874	E866-L870 WeakPolarHBondContact O-CB 3.15Å; E866-L870 WeakPolarHBondContact O-CG 3.46Å; E866-L870 PolarHBondContact O-N 2.7Å; L870-R874 WeakPolarHBondContact O-CB 3.19Å; L870-R874 PolarHBondContact O-N 2.9Å
871	L	94.1	Very high	92.9	Very high	67 Å²	67	57.3 Å²	57.3	35%	0.351	27%	0.27	S	S	.	.	H	α-helix	trans	-67.6	-41.5	179.1	-175.8	146	0	0	0	111.8	V834 S867 K868 L869 R874 E875	V834-L871 HydrophobicContact CB-CD2 4.29Å; V834-L871 HydrophobicContact CG1-CD2 3.46Å; V834-L871 VanDerWaalsContact CG1-CD2 3.46Å; V834-L871 HydrophobicContact CG2-CD2 3.84Å; S867-L871 WeakPolarHBondContact O-CB 3.1Å; S867-L871 PolarHBondContact O-N 2.81Å; S867-L871 VanDerWaalsContact O-N 3.16Å; K868-L871 PolarHBondContact O-N 3.04Å; L869-L871 VanDerWaalsContact C-N 3.33Å; L869-L871 PolarHBondContact O-N 3.45Å; L871-R874 PolarHBondContact O-N 3Å; L871-E875 PolarHBondContact O-N 2.74Å
872	L	92.1	Very high	92.4	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-66.4	-44.5	175.2	179.8	63.8	0	0	0	111.8	T802 L803 L831 V834 I835 K868 L869 R874 E875 M876	T802-L872 HydrophobicContact CG2-CB 4.45Å; T802-L872 HydrophobicContact CG2-CD2 3.55Å; T802-L872 HydrophobicContact CG2-CG 3.82Å; L803-L872 HydrophobicContact CB-CD2 4.48Å; L803-L872 HydrophobicContact CD2-CD2 3.66Å; L803-L872 HydrophobicContact CG-CD2 3.84Å; L831-L872 HydrophobicContact CD1-CD1 4.11Å; V834-L872 HydrophobicContact CG1-CB 4.35Å; V834-L872 HydrophobicContact CG1-CD1 3.88Å; I835-L872 HydrophobicContact CG1-CD1 3.72Å; K868-L872 WeakPolarHBondContact O-CB 3.46Å; K868-L872 PolarHBondContact O-N 3.17Å; L869-L872 PolarHBondContact O-N 3.45Å; L872-R874 VanDerWaalsContact C-N 3.3Å; L872-R874 PolarHBondContact O-N 3.46Å; L872-E875 PolarHBondContact O-N 2.79Å; L872-M876 WeakPolarHBondContact O-CB 3.46Å; L872-M876 PolarHBondContact O-N 3.45Å
873	Q	92.3	Very high	91.9	Very high	66 Å²	66	60.7 Å²	60.7	31%	0.308	29%	0.29	S	S	.	.	H	α-helix	trans	-62	-34.7	175.4	-74	179.5	-3.4	0	0	112.4	T802 L869 N877	T802-Q873 HydrophobicContact CG2-CG 3.84Å; L869-Q873 HydrophobicContact CG-CG 4.49Å; L869-Q873 WeakPolarHBondContact O-CB 3.42Å; L869-Q873 VanDerWaalsContact O-CG 3.28Å; L869-Q873 WeakPolarHBondContact O-CG 3.38Å; L869-Q873 PolarHBondContact O-N 2.86Å; Q873-N877 VanDerWaalsContact O-CB 3.23Å; Q873-N877 WeakPolarHBondContact O-CB 3.34Å; Q873-N877 VanDerWaalsContact O-CG 3.32Å; Q873-N877 PolarHBondContact O-N 2.91Å; Q873-N877 PolarHBondContact O-ND2 3.38Å
874	R	93.6	Very high	91.3	Very high	152 Å²	152	59.7 Å²	59.7	57%	0.574	29%	0.29	S	S	*	.	H	α-helix	trans	-60.7	-52.6	176.8	-173.3	-173.5	71.9	-160.6	0.4	111.8	L870 L871 L872 N877 Y878	L870-R874 WeakPolarHBondContact O-CB 3.19Å; L870-R874 PolarHBondContact O-N 2.9Å; L871-R874 PolarHBondContact O-N 3Å; L872-R874 VanDerWaalsContact C-N 3.3Å; L872-R874 PolarHBondContact O-N 3.46Å; R874-N877 PolarHBondContact O-N 3.27Å; R874-Y878 WeakPolarHBondContact O-CB 3.35Å; R874-Y878 PolarHBondContact O-N 2.86Å
875	E	92.3	Very high	90.5	Very high	21 Å²	21	65.6 Å²	65.6	10%	0.098	31%	0.314	C	S	.	.	H	α-helix	trans	-65.5	-42	179.9	-57	-44.3	132.5	0	0	111.4	L831 V834 L871 L872 N877 Y878 L879	L831-E875 HydrophobicContact CD1-CB 4.04Å; V834-E875 HydrophobicContact CG2-CG 4.3Å; L871-E875 PolarHBondContact O-N 2.74Å; L872-E875 PolarHBondContact O-N 2.79Å; E875-N877 PolarHBondContact O-N 2.72Å; E875-Y878 PolarHBondContact O-N 2.81Å; E875-L879 WeakPolarHBondContact O-CG 3.22Å; E875-L879 PolarHBondContact O-N 3.43Å; E875-L879 VanDerWaalsContact O-N 3.15Å
876	M	90.6	Very high	89.6	Confident	16 Å²	16	67.7 Å²	67.7	8%	0.079	33%	0.331	C	S	.	.	H	α-helix	trans	-58.5	-48.8	175.8	-175.1	67.2	179	0	0	111.9	T805 F809 L872 L879 L880	T805-M876 HydrophobicContact CG2-CE 3.93Å; F809-M876 HydrophobicContact CB-CE 3.38Å; F809-M876 HydrophobicContact CB-SD 3.88Å; F809-M876 HydrophobicContact CD1-CE 4.13Å; F809-M876 HydrophobicContact CD1-SD 3.69Å; F809-M876 HydrophobicContact CD2-CE 4.1Å; F809-M876 HydrophobicContact CE1-SD 4.41Å; F809-M876 HydrophobicContact CG-CE 3.61Å; F809-M876 HydrophobicContact CG-SD 3.82Å; L872-M876 WeakPolarHBondContact O-CB 3.46Å; L872-M876 PolarHBondContact O-N 3.45Å; M876-L879 PolarHBondContact O-N 3.48Å; M876-L880 HydrophobicContact CE-CD1 3.86Å; M876-L880 HydrophobicContact CE-CD2 4.34Å; M876-L880 HydrophobicContact CE-CG 4.18Å; M876-L880 HydrophobicContact CG-CD1 3.94Å; M876-L880 HydrophobicContact CG-CG 4.5Å; M876-L880 WeakPolarHBondContact O-CB 3.41Å; M876-L880 VanDerWaalsContact O-CG 3.3Å; M876-L880 WeakPolarHBondContact O-CG 3.3Å; M876-L880 PolarHBondContact O-N 2.97Å; M876-L880 HydrophobicContact SD-CD1 4.48Å
877	N	91.1	Very high	88	Confident	79 Å²	79	73.9 Å²	73.9	42%	0.422	36%	0.357	S	S	.	.	H	α-helix	trans	-69.2	-33.8	-179.7	-78.1	-44.3	0	0	0	113	Q873 R874 E875 N881	Q873-N877 VanDerWaalsContact O-CB 3.23Å; Q873-N877 WeakPolarHBondContact O-CB 3.34Å; Q873-N877 VanDerWaalsContact O-CG 3.32Å; Q873-N877 PolarHBondContact O-N 2.91Å; Q873-N877 PolarHBondContact O-ND2 3.38Å; R874-N877 PolarHBondContact O-N 3.27Å; E875-N877 PolarHBondContact O-N 2.72Å; N877-N881 WeakPolarHBondContact O-CB 3.37Å; N877-N881 VanDerWaalsContact O-CG 3.28Å; N877-N881 PolarHBondContact O-N 3.22Å; N877-N881 PolarHBondContact O-ND2 3.42Å
878	Y	92	Very high	86.2	Confident	125 Å²	125	77.1 Å²	77.1	49%	0.49	38%	0.376	S	S	.	.	H	α-helix	trans	-57.9	-50	172.3	173.5	-104.6	0	0	0	111.1	E827 R874 E875 N881 K882	E827-Y878 HydrophobicContact CG-CE1 4.25Å; E827-Y878 WeakPolarHBondContact OE1-CE1 3.25Å; E827-Y878 PolarHBondContact OE1-OH 2.71Å; R874-Y878 WeakPolarHBondContact O-CB 3.35Å; R874-Y878 PolarHBondContact O-N 2.86Å; E875-Y878 PolarHBondContact O-N 2.81Å; Y878-N881 PolarHBondContact O-N 3.11Å; Y878-K882 WeakPolarHBondContact O-CB 3.4Å; Y878-K882 PolarHBondContact O-N 3.38Å
879	L	90.1	Very high	84.4	Confident	3 Å²	3	80.7 Å²	80.7	2%	0.016	39%	0.392	C	S	.	.	H	α-helix	trans	-71.4	-40.5	179.7	-58.9	-178.6	0	0	0	112.6	F809 F823 E827 L828 L831 E875 M876 N881 K882 A883	F809-L879 HydrophobicContact CE1-CB 3.68Å; F809-L879 HydrophobicContact CE1-CD1 4.06Å; F809-L879 HydrophobicContact CZ-CB 3.77Å; F823-L879 HydrophobicContact CD1-CB 4.25Å; F823-L879 HydrophobicContact CD1-CD2 4.04Å; F823-L879 HydrophobicContact CE1-CB 3.99Å; F823-L879 WeakPolarHBondContact CE1-O 3.37Å; E827-L879 HydrophobicContact CB-CD2 3.83Å; E827-L879 HydrophobicContact CG-CD2 4.16Å; L828-L879 HydrophobicContact CD2-CD1 4.45Å; L831-L879 HydrophobicContact CB-CD1 4.15Å; L831-L879 HydrophobicContact CD2-CD1 3.98Å; E875-L879 WeakPolarHBondContact O-CG 3.22Å; E875-L879 PolarHBondContact O-N 3.43Å; E875-L879 VanDerWaalsContact O-N 3.15Å; M876-L879 PolarHBondContact O-N 3.48Å; L879-N881 VanDerWaalsContact C-N 3.29Å; L879-N881 PolarHBondContact O-N 3.31Å; L879-K882 PolarHBondContact O-N 3.3Å; L879-A883 PolarHBondContact O-N 3.33Å
880	L	88.1	Confident	82.3	Confident	54 Å²	54	85.6 Å²	85.6	28%	0.283	43%	0.425	S	S	.	.	H	α-helix	trans	-58.7	-39.7	174.1	-75.8	171.5	0	0	0	112.3	F809 M876 A883 K884	F809-L880 HydrophobicContact CD2-CD2 3.87Å; F809-L880 HydrophobicContact CE2-CD2 3.66Å; F809-L880 HydrophobicContact CE2-CG 4.29Å; F809-L880 HydrophobicContact CZ-CD2 4.41Å; M876-L880 HydrophobicContact CE-CD1 3.86Å; M876-L880 HydrophobicContact CE-CD2 4.34Å; M876-L880 HydrophobicContact CE-CG 4.18Å; M876-L880 HydrophobicContact CG-CD1 3.94Å; M876-L880 HydrophobicContact CG-CG 4.5Å; M876-L880 WeakPolarHBondContact O-CB 3.41Å; M876-L880 VanDerWaalsContact O-CG 3.3Å; M876-L880 WeakPolarHBondContact O-CG 3.3Å; M876-L880 PolarHBondContact O-N 2.97Å; M876-L880 HydrophobicContact SD-CD1 4.48Å; L880-A883 PolarHBondContact O-N 3Å; L880-K884 WeakPolarHBondContact O-CG 3.43Å; L880-K884 PolarHBondContact O-N 2.76Å; L880-K884 VanDerWaalsContact O-N 3.16Å
881	N	87.1	Confident	80	Confident	71 Å²	71	87.4 Å²	87.4	38%	0.38	43%	0.429	S	S	.	.	H	α-helix	trans	-73.1	-38.9	176.3	-70.4	-24.1	0	0	0	111.9	N877 Y878 L879 A883 K884 F885	N877-N881 WeakPolarHBondContact O-CB 3.37Å; N877-N881 VanDerWaalsContact O-CG 3.28Å; N877-N881 PolarHBondContact O-N 3.22Å; N877-N881 PolarHBondContact O-ND2 3.42Å; Y878-N881 PolarHBondContact O-N 3.11Å; L879-N881 VanDerWaalsContact C-N 3.29Å; L879-N881 PolarHBondContact O-N 3.31Å; N881-A883 PolarHBondContact O-N 3.12Å; N881-K884 PolarHBondContact O-N 3.16Å; N881-K884 PolarHBondContact OD1-NZ 2.81Å; N881-F885 WeakPolarHBondContact O-CD2 3.27Å; N881-F885 PolarHBondContact O-N 3.19Å
882	K	85.9	Confident	77.5	Confident	69 Å²	69	90.4 Å²	90.4	30%	0.3	45%	0.452	S	S	.	.	H	α-helix	trans	-56.7	-39	171.5	-171.3	174.4	-177	174.8	0	112	I822 E827 Y878 L879 A886	I822-K882 WeakPolarHBondContact O-CE 3.17Å; E827-K882 IonicContact OE1-NZ 2.74Å; E827-K882 PolarHBondContact OE1-NZ 3.28Å; E827-K882 IonicContact OE2-NZ 3.41Å; E827-K882 PolarHBondContact OE2-NZ 2.89Å; Y878-K882 WeakPolarHBondContact O-CB 3.4Å; Y878-K882 PolarHBondContact O-N 3.38Å; L879-K882 PolarHBondContact O-N 3.3Å; K882-A886 PolarHBondContact O-N 2.68Å
883	A	83.6	Confident	75	Confident	34 Å²	34	100.4 Å²	100.4	28%	0.281	50%	0.495	S	S	.	.	H	α-helix	trans	-66.1	-45.3	176	0	0	0	0	0	113.2	I822 F823 L879 L880 N881 F885 A886	I822-A883 HydrophobicContact CD1-CB 3.75Å; F823-A883 HydrophobicContact CE1-CB 4.1Å; F823-A883 HydrophobicContact CZ-CB 3.89Å; L879-A883 PolarHBondContact O-N 3.33Å; L880-A883 PolarHBondContact O-N 3Å; N881-A883 PolarHBondContact O-N 3.12Å; A883-F885 PolarHBondContact O-N 3.41Å; A883-A886 PolarHBondContact O-N 3.3Å
884	K	82.6	Confident	72.6	Confident	144 Å²	144	101.8 Å²	101.8	63%	0.626	52%	0.518	S	S	*	.	H	α-helix	trans	-59.2	-26.8	179	-70.7	167.8	-166.4	165.8	0	113.7	L880 N881	L880-K884 WeakPolarHBondContact O-CG 3.43Å; L880-K884 PolarHBondContact O-N 2.76Å; L880-K884 VanDerWaalsContact O-N 3.16Å; N881-K884 PolarHBondContact O-N 3.16Å; N881-K884 PolarHBondContact OD1-NZ 2.81Å
885	F	78.5	Confident	69.7	Low	168 Å²	168	104.4 Å²	104.4	74%	0.737	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	5.9	-177.2	-59	-59.8	0	0	0	114.4	N881 A883	N881-F885 WeakPolarHBondContact O-CD2 3.27Å; N881-F885 PolarHBondContact O-N 3.19Å; A883-F885 PolarHBondContact O-N 3.41Å
886	A	74.3	Confident	67	Low	43 Å²	43	110.5 Å²	110.5	36%	0.355	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-71.8	134.5	175.6	0	0	0	0	0	111.6	I822 K882 A883	I822-A886 HydrophobicContact CB-CB 4.19Å; I822-A886 HydrophobicContact CG2-CB 3.61Å; K882-A886 PolarHBondContact O-N 2.68Å; A883-A886 PolarHBondContact O-N 3.3Å
887	K	62.3	Low	64.2	Low	192 Å²	192	118.5 Å²	118.5	84%	0.835	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-95.7	136.1	177.4	-64.4	-176.3	-179.1	-179.6	0	110.7
888	P	56.9	Low	61.4	Low	129 Å²	129	120.4 Å²	120.4	84%	0.838	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-69.6	146.8	-179.3	28.7	-35.2	0	0	0	112.5
889	K	57.5	Low	58.4	Low	125 Å²	125	119.5 Å²	119.5	54%	0.543	63%	0.627	S	S	.	*	P	Polyproline II helix	trans	-89.5	145.4	174.8	-61.4	178.8	-162.4	155.9	0	111.1	D819	D819-K889 WeakPolarHBondContact O-CD 3.36Å; D819-K889 WeakPolarHBondContact O-CE 3.25Å; D819-K889 PolarHBondContact O-NZ 2.92Å
890	P	49.4	Very low	55.5	Low	128 Å²	128	124.8 Å²	124.8	83%	0.831	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-77.5	137.9	177.1	31.3	-34.2	0	0	0	112.1
891	K	44.8	Very low	52.7	Low	150 Å²	150	129.4 Å²	129.4	65%	0.652	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-95.3	141.9	-178.4	-65.4	-171.8	175.3	-175.8	0	112.7	D820	D820-K891 WeakPolarHBondContact OD1-CE 3.36Å; D820-K891 IonicContact OD1-NZ 2.69Å; D820-K891 WeakPolarHBondContact OD2-CE 3.49Å; D820-K891 IonicContact OD2-NZ 3.55Å; D820-K891 PolarHBondContact OD2-NZ 2.83Å
892	P	43.2	Very low	50	Low	130 Å²	130	130.5 Å²	130.5	84%	0.844	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-72	160.5	178	-16.2	31.2	0	0	0	113.6
893	K	38.1	Very low	47.2	Very low	210 Å²	210	131 Å²	131	91%	0.913	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-91.5	144	177.1	-68.4	-175.7	177.7	-178.8	0	112.7
894	A	42.1	Very low	44.6	Very low	95 Å²	95	136.8 Å²	136.8	79%	0.785	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-82.1	170.6	172.2	0	0	0	0	0	113.1
895	K	34	Very low	42	Very low	206 Å²	206	139 Å²	139	90%	0.896	76%	0.763	S	S	*	*			trans	-118.6	142.1	166.8	-80.9	-169.7	170.6	-168.4	0	110.6
896	N	34.5	Very low	39.6	Very low	149 Å²	149	136.1 Å²	136.1	80%	0.797	76%	0.759	S	S	*	*			trans	-107.2	164.7	168.9	-67.4	-11	0	0	0	109.9
897	E	32.5	Very low	37.4	Very low	184 Å²	184	141.5 Å²	141.5	86%	0.86	78%	0.782	S	S	*	*			trans	177.7	136	142.7	-100.4	160.3	-148.1	0	0	109
898	T	31.1	Very low	35.7	Very low	119 Å²	119	136.2 Å²	136.2	73%	0.73	77%	0.774	S	S	*	*			cis	-143.5	-127.5	-20	-4	0	0	0	0	108.9
899	T	29.5	Very low	34.1	Very low	107 Å²	107	135.7 Å²	135.7	66%	0.656	77%	0.769	S	S	*	*			cis	-164.6	131.4	-2.4	-24.1	0	0	0	0	109.7
900	T	28.7	Very low	32.6	Very low	114 Å²	114	136.1 Å²	136.1	70%	0.699	78%	0.782	S	S	*	*			trans	45.6	143.7	143.9	58.8	0	0	0	0	122.1
901	D	30.3	Very low	31.5	Very low	150 Å²	150	138.3 Å²	138.3	80%	0.802	78%	0.781	S	S	*	*			cis	-174.3	179.1	-2.2	-112	-23	0	0	0	108.2
902	A	30	Very low	30.7	Very low	95 Å²	95	138.7 Å²	138.7	79%	0.785	79%	0.785	S	S	*	*			cis	-164.5	174.4	-11.6	0	0	0	0	0	108.1
903	G	27.4	Very low	29.9	Very low	78 Å²	78	141.9 Å²	141.9	80%	0.804	79%	0.786	S	S	*	*			trans	166.1	97.9	168.7	0	0	0	0	0	117.6
904	N	28.8	Very low	29.4	Very low	156 Å²	156	136.9 Å²	136.9	83%	0.834	77%	0.773	S	S	*	*			trans	-42	131.1	-177.9	-71.7	-27.5	0	0	0	120.3
905	K	28	Very low	28.8	Very low	191 Å²	191	139.3 Å²	139.3	83%	0.83	77%	0.771	S	S	*	*				24.9	149.2	100.5	-70.6	-167.5	177.7	-178.8	0	119.4
906	V	29.1	Very low	29.4	Very low	108 Å²	108	134.8 Å²	134.8	66%	0.655	76%	0.762	S	S	*	*			cis	-172.5	156	-2.8	124.3	0	0	0	0	111
907	N	26.5	Very low	29.5	Very low	156 Å²	156	133.4 Å²	133.4	83%	0.834	76%	0.762	S	S	*	*			trans	66	150.9	168.7	-70	-7.7	0	0	0	118
908	A	26.5	Very low	29.5	Very low	80 Å²	80	130 Å²	130	66%	0.661	75%	0.754	S	S	*	*			cis	-153.3	161	17.1	0	0	0	0	0	115.5
909	T	23.8	Very low	29.6	Very low	119 Å²	119	131.9 Å²	131.9	73%	0.73	75%	0.754	S	S	*	*			trans	48.4	129.7	145.6	51.6	0	0	0	0	124.6
910	T	26.2	Very low	29.4	Very low	133 Å²	133	135.1 Å²	135.1	82%	0.816	76%	0.762	S	S	*	*			trans	61.8	153.5	146.6	51.5	0	0	0	0	118.5
911	E	27.5	Very low	29.4	Very low	174 Å²	174	134.1 Å²	134.1	81%	0.813	76%	0.759	S	S	*	*			cis	-128.3	140.8	9.7	-69.4	178.1	155.6	0	0	109.4
912	E	26.3	Very low	29.2	Very low	158 Å²	158	135.9 Å²	135.9	74%	0.738	76%	0.76	S	S	*	*				62.7	104.7	82.7	-160.5	-174.1	-110.8	0	0	117.2	V914	E912-V914 HydrophobicContact CG-CG2 4.26Å
913	K	26.6	Very low	29.2	Very low	197 Å²	197	138.4 Å²	138.4	86%	0.857	76%	0.76	S	S	*	*				173.4	149.9	126.6	-95.8	176.8	-179.4	173.6	0	112
914	V	27.3	Very low	29.4	Very low	106 Å²	106	141 Å²	141	64%	0.642	76%	0.763	S	S	*	*			cis	-164.2	138.3	-44.3	120.6	0	0	0	0	108.2	E912	E912-V914 HydrophobicContact CG-CG2 4.26Å
915	I	29.4	Very low	29.2	Very low	146 Å²	146	142.9 Å²	142.9	75%	0.749	76%	0.764	S	S	*	*			trans	-20.8	175.3	150.7	22.9	171.3	0	0	0	117.4
916	P	47	Very low	29.1	Very low	110 Å²	110	139 Å²	139	71%	0.714	76%	0.756	S	S	*	*			cis	-133.3	-160.8	2.3	19.4	10	0	0	0	111.9
917	P	37.4	Very low	28.9	Very low	121 Å²	121	142.3 Å²	142.3	79%	0.786	76%	0.764	S	S	*	*			cis	-126.2	154	-1.3	28.1	-5.7	0	0	0	118.4
918	T	31.7	Very low	28.7	Very low	112 Å²	112	139.7 Å²	139.7	69%	0.687	76%	0.759	S	S	*	*			trans	-62.9	-168.1	152.5	29.3	0	0	0	0	112
919	E	33.6	Very low	28.6	Very low	158 Å²	158	143.6 Å²	143.6	74%	0.738	77%	0.768	S	S	*	*			cis	-153	-179.1	23.3	-134.3	122.4	-110.4	0	0	108.6
920	E	25	Very low	28.7	Very low	176 Å²	176	146.7 Å²	146.7	82%	0.822	77%	0.774	S	S	*	*			cis	-150.5	-179.9	18.6	-165.3	164	-137.2	0	0	110.7
921	S	28.5	Very low	29.1	Very low	93 Å²	93	149.3 Å²	149.3	65%	0.65	78%	0.777	S	S	*	*			trans	-156.9	154.2	179.5	68.4	0	0	0	0	117
922	K	26.7	Very low	29.1	Very low	186 Å²	186	150.4 Å²	150.4	81%	0.809	78%	0.782	S	S	*	*			trans	98.4	115.6	158.5	-60.2	172.7	-176.8	172.4	0	120.4
923	N	29.5	Very low	29.2	Very low	149 Å²	149	152.1 Å²	152.1	80%	0.797	79%	0.787	S	S	*	*			trans	29.5	141.3	134.1	-61.9	23.9	0	0	0	121.6
924	P	31.6	Very low	29.4	Very low	133 Å²	133	149.1 Å²	149.1	86%	0.864	79%	0.787	S	S	*	*				-121.9	-142.9	104.3	38.3	-35	0	0	0	113.9
925	K	26.1	Very low	29.3	Very low	194 Å²	194	147.4 Å²	147.4	84%	0.843	79%	0.791	S	S	*	*			trans	-147.5	142.2	-148.3	-142.3	-169.6	-174.8	-172.6	0	114.1
926	T	25.3	Very low	29.3	Very low	110 Å²	110	150.2 Å²	150.2	68%	0.675	80%	0.801	S	S	*	*			trans	69	131.9	155.3	-12.6	0	0	0	0	121.9
927	E	24.1	Very low	28.5	Very low	177 Å²	177	150.5 Å²	150.5	83%	0.827	81%	0.806	S	S	*	*			trans	106.2	141.1	134	-139.3	154.3	-95.1	0	0	121.6
928	S	22.5	Very low	28.3	Very low	102 Å²	102	150.5 Å²	150.5	71%	0.713	81%	0.806	S	S	*	*			trans	78.1	112.4	169.5	67.9	0	0	0	0	122.4
929	L	24.9	Very low	28.8	Very low	162 Å²	162	151 Å²	151	85%	0.848	81%	0.811	S	S	*	*				76.5	146.4	128.5	-69.4	173	0	0	0	125.6
930	E	25.9	Very low	28.8	Very low	183 Å²	183	149.9 Å²	149.9	86%	0.855	82%	0.815	S	S	*	*			trans	79.2	141.6	154.1	-78.2	176.4	-171.7	0	0	123.7
931	E	34.5	Very low	28.9	Very low	188 Å²	188	150.6 Å²	150.6	88%	0.879	82%	0.819	S	S	*	*			trans	-105.7	144.8	180	-56.7	172.6	103.5	0	0	110.1
932	Q	28	Very low	28.9	Very low	198 Å²	198	154.9 Å²	154.9	93%	0.925	83%	0.828	S	S	*	*			trans	-152.1	170	157.7	-119.8	175.8	59.1	0	0	114
933	K	27.5	Very low	28.9	Very low	194 Å²	194	151.7 Å²	151.7	84%	0.843	83%	0.83	S	S	*	*			trans	-89.6	159.8	-161.1	-66.7	176.8	-179.4	174.8	0	114
934	P	30.8	Very low	29	Very low	133 Å²	133	151.1 Å²	151.1	86%	0.864	83%	0.831	S	S	*	*			trans	-74.6	159.5	165.8	33.7	-36.5	0	0	0	112.2
935	G	25.9	Very low	29.6	Very low	71 Å²	71	149.8 Å²	149.8	73%	0.732	82%	0.823	S	S	*	*			trans	-151.7	133.6	174.1	0	0	0	0	0	113.7
936	E	28.2	Very low	29.7	Very low	204 Å²	204	149.1 Å²	149.1	95%	0.953	82%	0.822	S	S	*	*			trans	52.9	151	152	-58.9	-172	149.6	0	0	122.5
937	S	30.6	Very low	29.8	Very low	117 Å²	117	150.3 Å²	150.3	82%	0.818	83%	0.83	S	S	*	*			trans	-147.1	135.3	-179.8	50.1	0	0	0	0	112.1
938	P	33.6	Very low	30	Very low	120 Å²	120	146 Å²	146	78%	0.779	83%	0.825	S	S	*	*			trans	-121.9	-177.9	171.1	42	-31.5	0	0	0	112.4
939	P	42.4	Very low	30.2	Very low	124 Å²	124	147 Å²	147	81%	0.805	83%	0.827	S	S	*	*				-128.3	-171.6	-51.7	38.7	-23.6	0	0	0	112.3
940	T	32.5	Very low	30.3	Very low	133 Å²	133	145.7 Å²	145.7	82%	0.816	82%	0.82	S	S	*	*			trans	-88	155.9	-171.7	-29.3	0	0	0	0	115.2
941	E	27.8	Very low	30.5	Very low	191 Å²	191	141.2 Å²	141.2	89%	0.893	81%	0.809	S	S	*	*			trans	-155	179.5	141.5	-129.8	167.4	-138	0	0	112.7
942	E	29.1	Very low	30.1	Very low	183 Å²	183	140.3 Å²	140.3	86%	0.855	81%	0.805	S	S	*	*			trans	-97.3	163.9	-147.6	-53	-175.4	126.5	0	0	118.6
943	S	26	Very low	30.1	Very low	120 Å²	120	135.6 Å²	135.6	84%	0.839	79%	0.794	S	S	*	*			trans	-174.8	153.3	130.3	33.4	0	0	0	0	113.5
944	T	31.5	Very low	30.2	Very low	136 Å²	136	135.8 Å²	135.8	83%	0.834	80%	0.798	S	S	*	*			trans	-140.8	161.8	171.2	58.9	0	0	0	0	110.8
945	P	43.7	Very low	31.7	Very low	106 Å²	106	134.9 Å²	134.9	69%	0.688	79%	0.792	S	S	*	*			trans	-149.2	129.8	140.6	31.8	-12.6	0	0	0	117
946	H	29.6	Very low	31.9	Very low	179 Å²	179	138 Å²	138	83%	0.829	79%	0.791	S	S	*	*			trans	62.1	155.5	144	-55.9	-48.6	0	0	0	120.1
947	T	25.9	Very low	31.9	Very low	136 Å²	136	135.7 Å²	135.7	83%	0.834	78%	0.78	S	S	*	*			cis	-146.7	160.6	30	-43.7	0	0	0	0	114.1
948	A	28.8	Very low	32	Very low	86 Å²	86	138.1 Å²	138.1	71%	0.711	78%	0.778	S	S	*	*			trans	-69.9	179.8	-179.1	0	0	0	0	0	114.3
949	T	27.4	Very low	31.8	Very low	124 Å²	124	137.2 Å²	137.2	76%	0.761	77%	0.77	S	S	*	*			cis	-146	179.5	33.7	53.1	0	0	0	0	110.9
950	D	27.2	Very low	31.2	Very low	133 Å²	133	137.5 Å²	137.5	71%	0.711	76%	0.764	S	S	*	*			cis	-151.4	152.5	14.7	-139.1	-38.9	0	0	0	114.3
951	S	28.8	Very low	31	Very low	89 Å²	89	138.8 Å²	138.8	62%	0.622	76%	0.761	S	S	*	*			trans	-9.4	166	164.2	63.4	0	0	0	0	123.8
952	Q	27.3	Very low	31.2	Very low	169 Å²	169	137.4 Å²	137.4	79%	0.79	75%	0.754	S	S	*	*			cis	-150.3	163	35.4	-66.9	-179	-11.3	0	0	116.5
953	S	27.6	Very low	31.2	Very low	100 Å²	100	133.5 Å²	133.5	70%	0.699	74%	0.743	S	S	*	*			trans	39.5	110.8	154.6	58.1	0	0	0	0	119.8
954	Q	30.3	Very low	31.4	Very low	197 Å²	197	135.1 Å²	135.1	92%	0.921	74%	0.741	S	S	*	*				89.6	146.2	54.7	-76.3	-158.4	-36.3	0	0	116.4
955	P	60.8	Low	31.2	Very low	114 Å²	114	134.5 Å²	134.5	74%	0.74	74%	0.743	S	S	*	*			trans	-123.1	-162.6	-159.8	44.3	-28.4	0	0	0	113.1
956	I	30.3	Very low	30.7	Very low	137 Å²	137	138.4 Å²	138.4	70%	0.703	75%	0.749	S	S	*	*			trans	-166.8	137.1	146.4	-109.3	159.8	0	0	0	112.2
957	E	29.2	Very low	30.6	Very low	155 Å²	155	137.7 Å²	137.7	72%	0.724	75%	0.746	S	S	*	*			trans	49.6	131.7	151.5	-71.4	149.5	-158	0	0	121.1
958	E	31.5	Very low	30.8	Very low	169 Å²	169	137.7 Å²	137.7	79%	0.79	75%	0.746	S	S	*	*				74.4	146.4	63	-73.4	-159.2	-170.6	0	0	113.7
959	T	29.4	Very low	30.7	Very low	100 Å²	100	137.4 Å²	137.4	61%	0.613	74%	0.743	S	S	*	*			cis	-160.3	158.8	2.9	9.2	0	0	0	0	113
960	I	30.8	Very low	30.8	Very low	130 Å²	130	140.2 Å²	140.2	67%	0.667	75%	0.748	S	S	*	*			trans	86.4	147.8	131.4	-82.2	165.1	0	0	0	126
961	E	28.3	Very low	30.8	Very low	160 Å²	160	139.8 Å²	139.8	75%	0.748	76%	0.755	S	S	*	*			trans	64	124.4	159.7	-85.8	144.2	-138.5	0	0	120.3
962	E	31.7	Very low	30.9	Very low	163 Å²	163	139.9 Å²	139.9	76%	0.762	76%	0.762	S	S	*	*				85.8	151.1	69.8	-77	-146.1	170.1	0	0	114.2
963	T	29.2	Very low	30.9	Very low	100 Å²	100	137.7 Å²	137.7	61%	0.613	76%	0.76	S	S	*	*			cis	-151.5	169.5	-10.3	12	0	0	0	0	111.8
964	L	29.4	Very low	31	Very low	154 Å²	154	142 Å²	142	81%	0.806	77%	0.769	S	S	*	*			trans	0.9	140.3	166.6	-77.3	80	0	0	0	121.9
965	S	28.2	Very low	30.8	Very low	124 Å²	124	135.5 Å²	135.5	87%	0.867	75%	0.754	S	S	*	*				-157	159.9	117	37.7	0	0	0	0	112.3
966	K	31.9	Very low	29.3	Very low	187 Å²	187	138 Å²	138	81%	0.813	76%	0.762	S	S	*	*			trans	-117.7	156.7	176.1	-70.7	177.6	176	178.5	0	109.5
967	E	29.4	Very low	29.2	Very low	164 Å²	164	139.4 Å²	139.4	77%	0.766	76%	0.764	S	S	*	*				150.5	137.7	114.5	-79.7	-160	142.5	0	0	113.5
968	T	28.5	Very low	29.4	Very low	136 Å²	136	137.8 Å²	137.8	83%	0.834	77%	0.765	S	S	*	*			trans	61.4	154.3	152.7	55.4	0	0	0	0	120
969	A	27.7	Very low	29.4	Very low	80 Å²	80	136.8 Å²	136.8	66%	0.661	76%	0.76	S	S	*	*			cis	-162.9	156	-22	0	0	0	0	0	110.7
970	E	28.8	Very low	29.7	Very low	183 Å²	183	138.5 Å²	138.5	86%	0.855	77%	0.766	S	S	*	*			trans	45.1	150	144.1	-66.1	-171.8	140.2	0	0	124.8
971	S	27.9	Very low	29.9	Very low	124 Å²	124	140.8 Å²	140.8	87%	0.867	77%	0.774	S	S	*	*			trans	86.1	119.2	153.4	75.4	0	0	0	0	119
972	A	29.8	Very low	30.1	Very low	91 Å²	91	144.3 Å²	144.3	75%	0.752	80%	0.797	S	S	*	*			trans	-94.9	163.8	167.5	0	0	0	0	0	110.5
973	T	27.8	Very low	30	Very low	123 Å²	123	143.4 Å²	143.4	76%	0.755	80%	0.798	S	S	*	*			trans	-165.2	124.8	141.7	18.4	0	0	0	0	112.8
974	H	29.5	Very low	30.1	Very low	192 Å²	192	145.7 Å²	145.7	89%	0.889	81%	0.808	S	S	*	*			trans	65.4	155.4	153.3	-63.3	20	0	0	0	117.3
975	G	26	Very low	30.1	Very low	59 Å²	59	145.2 Å²	145.2	61%	0.608	81%	0.808	S	S	*	*			cis	168.7	175.6	-6.2	0	0	0	0	0	112.4
976	N	29.9	Very low	30.2	Very low	168 Å²	168	146.5 Å²	146.5	90%	0.898	81%	0.805	S	S	*	*			trans	69.6	164	-178.6	-51.5	-20.8	0	0	0	115.4
977	H	29	Very low	30.1	Very low	165 Å²	165	143.9 Å²	143.9	76%	0.764	80%	0.804	S	S	*	*			cis	164.5	179	-34.7	-138.9	-14.8	0	0	0	105.3
978	V	33.4	Very low	30.1	Very low	122 Å²	122	142.6 Å²	142.6	74%	0.739	81%	0.807	S	S	*	*			trans	75	107.8	-169.3	-171.1	0	0	0	0	111.1
979	E	31.3	Very low	30.3	Very low	147 Å²	147	143.1 Å²	143.1	69%	0.687	81%	0.805	S	S	*	*			cis	89.7	120.2	45.8	-66.9	178.3	149.8	0	0	114.3
980	D	34.5	Very low	30.5	Very low	136 Å²	136	147.9 Å²	147.9	73%	0.727	82%	0.816	S	S	*	*			trans	72.7	142.5	138.7	-63.3	-0.7	0	0	0	124.7
981	E	35.7	Very low	30.6	Very low	179 Å²	179	145 Å²	145	84%	0.836	81%	0.812	S	S	*	*			trans	56.1	121.8	153.6	-69.7	-178.4	170	0	0	118.3
982	L	32.4	Very low	30.9	Very low	234 Å²	234	146.9 Å²	146.9	100%	1.225	81%	0.807	S	S	*	*			cis	-157.3	0	39.8	-120.1	160.2	0	0	0	112.9

Retrieved 982 of 982 residues in 392.9 ms (Link to these results)

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