A0A077ZK51_TRITR Loading...

ATP synthase subunit beta

Produces ATP from ADP in the presence of a proton gradient across the membrane.

AlphaFold DB , UniProt , Accession A0A077ZK51, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,051 aa.

						>A0A077ZK51_TRITR|A0A077ZK51
MNNFLEVILQNEREAFLKDILEGVQKDFVIATNQHDIVVTTAVALTDEQKERILALVAEKFGVKAGKLVENIDESILGGFIINVNNKPNFDVTETGVVTYIGDGIARARGLDNAMSGELLEFSNGAFGMAQNLESNDVGIIILGDFSTIREGDEVKRTGKIMEVPVGEALIGRVVNPLGQPVDGLGDIKTTATRPVETPAPGVMQRKSVSEPLQTGLKAIDALVPIGRGQRELIIGDRQTGKTSVAIDAILNQKGQDMICIYVAIGQKESTVRTQVETLRKYGALDYTIVVTASASQPSPLLYIAPYAGVAMAEEFMYNGKHVLIVYDDLSKQAVAYRELSLLLRRPPGREAYPGDVFYLHSRLLERSAKVSDALGGGSITALPFIETQAGDISAYIATNVISITDGQIFLQENLFNSGIRPAIDAGSSVSRVGGSAQIKAMKKVAGTLRLDLASYRELEAFTQFGSDLDAATQAKLNRGRRTVEVLKQPVHKPLPVEKQVVILYALTHGFLDDVPVNDILAFEEALYDYFDAHYESIFETIRTTKDLPEESTATDNAKNIIADLTTQYNRARQATITNEIIEIVAGKIAQVVGPVVDVAFAAGEKLPEINNALIVYKDGDKSQKIVLEVALELGDGLVRTIAMESTDGLTRGLEVFDTGRAISVPVGKETLGRVFNVLGDTIDLDEPFAEDAPREPIHKKAPAFDELSTSSEILETGIKVIDLLAPYLKGGKVGLFGGAGVGKTVLIQELIHNIAQEHGGISVFTGVGERTREGNDLYWEMKESGVIEKTAMVFGQMNEPPGARMRVALTGLTIAEYFRDVEGQDVLLFIDNIFRFTQAGSEVSALLGRMPSAVGYQPTLATEMGQLQERITSTKKGSVTSIQAIYVPADDYTDPAPATAFAHLDSTTNLERKLTQMGIYPAVDPLASSSRALAPEIVGQEHYEVATEVQRVLQRYRELQDIIAILGMDELSDEEKTLVGRARRIQFFLSQNFNVAEQFTGMPGSYVPVAETVRGFKEILEGKYDDLPEDAFRNVGPIEDVVEKAKKMNY
					

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(Predicted Aligned Error values between residue pairs)

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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	44.4	Very low	61.4	Low	193 Å²	193	107.3 Å²	107.3	95%	0.951	54%	0.542	S	S	*	.				0	-35.6	0	-82.9	177.6	169.7	0	0	113.3	N3 F4 L5	M1-N3 PolarHBondContact O-N 2.82Å; M1-F4 WeakPolarHBondContact O-CA 3.49Å; M1-F4 WeakPolarHBondContact O-CB 3.32Å; M1-F4 PolarHBondContact O-N 3.12Å; M1-L5 HydrophobicContact CB-CD1 4.17Å; M1-L5 PolarHBondContact O-N 2.85Å
2	N	43.4	Very low	61.4	Low	123 Å²	123	113.6 Å²	113.6	66%	0.658	57%	0.568	S	S	*	*	H	α-helix	trans	-49.8	-51.6	-162.5	-54.6	17.6	0	0	0	115.1	F4 L5 E6	N2-F4 PolarHBondContact O-N 2.67Å; N2-F4 VanDerWaalsContact O-N 3.15Å; N2-L5 WeakPolarHBondContact O-CA 3.5Å; N2-L5 WeakPolarHBondContact O-CB 3.32Å; N2-L5 PolarHBondContact O-N 3.14Å; N2-E6 PolarHBondContact O-N 3.4Å
3	N	56.6	Low	61.7	Low	125 Å²	125	116.1 Å²	116.1	67%	0.668	57%	0.567	S	S	*	*	H	α-helix	trans	-62.1	-24.8	178.8	-56.5	50.1	0	0	0	113.8	M1 V7	M1-N3 PolarHBondContact O-N 2.82Å; N3-V7 VanDerWaalsContact O-CG2 3.29Å; N3-V7 WeakPolarHBondContact O-CG2 3.38Å; N3-V7 PolarHBondContact O-N 3.42Å; N3-V7 VanDerWaalsContact O-N 3.14Å
4	F	61.2	Low	61.7	Low	136 Å²	136	118.2 Å²	118.2	60%	0.596	58%	0.575	S	S	*	*	H	α-helix	trans	-79.2	-35.2	174.4	-177.8	-105.7	0	0	0	111.5	M1 N2 V7 I8	M1-F4 WeakPolarHBondContact O-CA 3.49Å; M1-F4 WeakPolarHBondContact O-CB 3.32Å; M1-F4 PolarHBondContact O-N 3.12Å; N2-F4 PolarHBondContact O-N 2.67Å; N2-F4 VanDerWaalsContact O-N 3.15Å; F4-V7 PolarHBondContact O-N 3.42Å; F4-I8 HydrophobicContact CD1-CD1 3.95Å; F4-I8 HydrophobicContact CE1-CD1 3.49Å; F4-I8 VanDerWaalsContact CE1-CD1 3.49Å; F4-I8 HydrophobicContact CE1-CG1 4.48Å; F4-I8 HydrophobicContact CZ-CD1 3.86Å; F4-I8 WeakPolarHBondContact O-CG1 3.44Å; F4-I8 PolarHBondContact O-N 2.81Å
5	L	60.2	Low	62.2	Low	66 Å²	66	115.7 Å²	115.7	35%	0.346	58%	0.581	S	S	.	*	H	α-helix	trans	-65.4	-44	170.3	-79.1	158.6	0	0	0	111.2	M1 N2 V7 I8 L9 L17	M1-L5 HydrophobicContact CB-CD1 4.17Å; M1-L5 PolarHBondContact O-N 2.85Å; N2-L5 WeakPolarHBondContact O-CA 3.5Å; N2-L5 WeakPolarHBondContact O-CB 3.32Å; N2-L5 PolarHBondContact O-N 3.14Å; L5-V7 VanDerWaalsContact C-N 3.33Å; L5-V7 PolarHBondContact O-N 3.1Å; L5-I8 PolarHBondContact O-N 3.19Å; L5-L9 WeakPolarHBondContact O-CB 3.44Å; L5-L9 VanDerWaalsContact O-CG 3.29Å; L5-L9 WeakPolarHBondContact O-CG 3.34Å; L5-L9 PolarHBondContact O-N 3.06Å; L5-L17 HydrophobicContact CD2-CD1 3.82Å; L5-L17 HydrophobicContact CD2-CD2 4.05Å
6	E	63.5	Low	62.3	Low	104 Å²	104	115.7 Å²	115.7	49%	0.486	58%	0.576	S	S	.	*	H	α-helix	trans	-56.4	-45.4	171.4	-78.8	-171.2	112.8	0	0	111.9	N2 I8 L9 Q10	N2-E6 PolarHBondContact O-N 3.4Å; E6-I8 VanDerWaalsContact C-N 3.35Å; E6-I8 PolarHBondContact O-N 3.21Å; E6-L9 PolarHBondContact O-N 3.07Å; E6-Q10 WeakPolarHBondContact O-CB 3.31Å; E6-Q10 VanDerWaalsContact O-CG 3.3Å; E6-Q10 WeakPolarHBondContact O-CG 3.49Å; E6-Q10 PolarHBondContact O-N 2.98Å
7	V	69.2	Low	62.3	Low	76 Å²	76	111.9 Å²	111.9	46%	0.461	56%	0.558	S	S	.	*	H	α-helix	trans	-65.6	-34.5	178.4	166.2	0	0	0	0	112.4	N3 F4 L5 N11	N3-V7 VanDerWaalsContact O-CG2 3.29Å; N3-V7 WeakPolarHBondContact O-CG2 3.38Å; N3-V7 PolarHBondContact O-N 3.42Å; N3-V7 VanDerWaalsContact O-N 3.14Å; F4-V7 PolarHBondContact O-N 3.42Å; L5-V7 VanDerWaalsContact C-N 3.33Å; L5-V7 PolarHBondContact O-N 3.1Å; V7-N11 WeakPolarHBondContact O-CB 3.41Å; V7-N11 PolarHBondContact O-N 3.49Å; V7-N11 PolarHBondContact O-ND2 3.29Å
8	I	66.1	Low	62.3	Low	14 Å²	14	112.9 Å²	112.9	7%	0.072	56%	0.559	C	S	.	*	H	α-helix	trans	-68.8	-42.6	173.7	-72.4	173.4	0	0	0	111.2	F4 L5 E6 N11 R13 L17	F4-I8 HydrophobicContact CD1-CD1 3.95Å; F4-I8 HydrophobicContact CE1-CD1 3.49Å; F4-I8 VanDerWaalsContact CE1-CD1 3.49Å; F4-I8 HydrophobicContact CE1-CG1 4.48Å; F4-I8 HydrophobicContact CZ-CD1 3.86Å; F4-I8 WeakPolarHBondContact O-CG1 3.44Å; F4-I8 PolarHBondContact O-N 2.81Å; L5-I8 PolarHBondContact O-N 3.19Å; E6-I8 VanDerWaalsContact C-N 3.35Å; E6-I8 PolarHBondContact O-N 3.21Å; I8-N11 PolarHBondContact O-N 3.38Å; I8-R13 HydrophobicContact CG2-CB 4.25Å; I8-R13 PolarHBondContact O-N 3.42Å; I8-L17 HydrophobicContact CD1-CD1 3.79Å; I8-L17 HydrophobicContact CG2-CB 4.31Å; I8-L17 HydrophobicContact CG2-CD1 4.26Å
9	L	66.6	Low	62.4	Low	104 Å²	104	113.3 Å²	113.3	55%	0.545	56%	0.563	S	S	.	*	H	α-helix	trans	-66.1	-45.1	178.4	-70.5	165.6	0	0	0	112	L5 E6 N11 E12	L5-L9 WeakPolarHBondContact O-CB 3.44Å; L5-L9 VanDerWaalsContact O-CG 3.29Å; L5-L9 WeakPolarHBondContact O-CG 3.34Å; L5-L9 PolarHBondContact O-N 3.06Å; E6-L9 PolarHBondContact O-N 3.07Å; L9-N11 PolarHBondContact O-N 3.42Å; L9-E12 PolarHBondContact O-N 2.83Å
10	Q	71.4	Confident	62.3	Low	143 Å²	143	111.3 Å²	111.3	67%	0.668	55%	0.554	S	S	*	*	H	α-helix	trans	-65.1	-15.7	177.3	-74.2	-179.1	7.3	0	0	114.1	E6	E6-Q10 WeakPolarHBondContact O-CB 3.31Å; E6-Q10 VanDerWaalsContact O-CG 3.3Å; E6-Q10 WeakPolarHBondContact O-CG 3.49Å; E6-Q10 PolarHBondContact O-N 2.98Å
11	N	73.2	Confident	62.2	Low	96 Å²	96	111.1 Å²	111.1	51%	0.513	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-106.6	15.3	179.7	-77.3	-89.5	0	0	0	113.4	V7 I8 L9 R13	V7-N11 WeakPolarHBondContact O-CB 3.41Å; V7-N11 PolarHBondContact O-N 3.49Å; V7-N11 PolarHBondContact O-ND2 3.29Å; I8-N11 PolarHBondContact O-N 3.38Å; L9-N11 PolarHBondContact O-N 3.42Å; N11-R13 HydrophobicContact CB-CG 4.09Å; N11-R13 WeakPolarHBondContact O-CG 3.44Å; N11-R13 PolarHBondContact O-N 3.03Å; N11-R13 VanDerWaalsContact O-N 3.12Å
12	E	61.1	Low	62.8	Low	183 Å²	183	107.9 Å²	107.9	86%	0.855	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	27.7	179.2	-58.6	-174.2	156.1	0	0	114	L9 E14	L9-E12 PolarHBondContact O-N 2.83Å; E12-E14 PolarHBondContact O-N 3.3Å
13	R	65.6	Low	63.3	Low	146 Å²	146	104.7 Å²	104.7	55%	0.551	53%	0.533	S	S	*	.			trans	-95.8	34.8	-173.1	-61.2	-152.6	-175.9	-156.7	3.6	114.7	I8 N11 A15 F16	I8-R13 HydrophobicContact CG2-CB 4.25Å; I8-R13 PolarHBondContact O-N 3.42Å; N11-R13 HydrophobicContact CB-CG 4.09Å; N11-R13 WeakPolarHBondContact O-CG 3.44Å; N11-R13 PolarHBondContact O-N 3.03Å; N11-R13 VanDerWaalsContact O-N 3.12Å; R13-A15 VanDerWaalsContact C-N 3.28Å; R13-A15 PolarHBondContact O-N 2.85Å; R13-F16 HydrophobicContact CB-CB 4.15Å; R13-F16 WeakPolarHBondContact O-CB 3.4Å; R13-F16 PolarHBondContact O-N 3.1Å
14	E	61.6	Low	63.2	Low	146 Å²	146	104 Å²	104	68%	0.682	53%	0.533	S	S	*	.	H	α-helix	trans	-53.1	-41.5	-175.9	-63.1	-170	133.8	0	0	113.5	E12 F16 L17	E12-E14 PolarHBondContact O-N 3.3Å; E14-F16 PolarHBondContact O-N 3.26Å; E14-L17 WeakPolarHBondContact O-CB 3.37Å; E14-L17 PolarHBondContact O-N 2.81Å
15	A	69.2	Low	62.7	Low	80 Å²	80	105.4 Å²	105.4	66%	0.661	54%	0.541	S	S	*	.	H	α-helix	trans	-58.8	-35.4	177	0	0	0	0	0	113.1	R13 L17 K18	R13-A15 VanDerWaalsContact C-N 3.28Å; R13-A15 PolarHBondContact O-N 2.85Å; A15-L17 VanDerWaalsContact C-N 3.31Å; A15-L17 PolarHBondContact O-N 2.75Å; A15-K18 PolarHBondContact O-N 2.78Å
16	F	64	Low	61.9	Low	116 Å²	116	109.9 Å²	109.9	51%	0.509	56%	0.558	S	S	.	*	H	α-helix	trans	-73.5	-23.8	-177.2	-155.2	-106.5	0	0	0	112.5	R13 E14 K18 I20	R13-F16 HydrophobicContact CB-CB 4.15Å; R13-F16 WeakPolarHBondContact O-CB 3.4Å; R13-F16 PolarHBondContact O-N 3.1Å; E14-F16 PolarHBondContact O-N 3.26Å; F16-K18 VanDerWaalsContact C-N 3.31Å; F16-I20 HydrophobicContact CD1-CD1 3.78Å; F16-I20 HydrophobicContact CE1-CD1 3.81Å; F16-I20 WeakPolarHBondContact O-CD1 3.41Å; F16-I20 WeakPolarHBondContact O-CG1 3.22Å
17	L	61.6	Low	61	Low	51 Å²	51	111.4 Å²	111.4	27%	0.267	57%	0.569	S	S	.	*	H	α-helix	trans	-69	-33.2	175.1	-165.5	72.9	0	0	0	111.4	L5 I8 E14 A15 L21	L5-L17 HydrophobicContact CD2-CD1 3.82Å; L5-L17 HydrophobicContact CD2-CD2 4.05Å; I8-L17 HydrophobicContact CD1-CD1 3.79Å; I8-L17 HydrophobicContact CG2-CB 4.31Å; I8-L17 HydrophobicContact CG2-CD1 4.26Å; E14-L17 WeakPolarHBondContact O-CB 3.37Å; E14-L17 PolarHBondContact O-N 2.81Å; A15-L17 VanDerWaalsContact C-N 3.31Å; A15-L17 PolarHBondContact O-N 2.75Å; L17-L21 HydrophobicContact CG-CD1 4.15Å; L17-L21 WeakPolarHBondContact O-CG 3.48Å; L17-L21 PolarHBondContact O-N 2.84Å
18	K	63	Low	59.7	Low	131 Å²	131	115.3 Å²	115.3	57%	0.57	58%	0.581	S	S	*	*	H	α-helix	trans	-74.7	-47.1	-173.3	-159.3	-177.9	-176.2	-150.2	0	112.9	A15 F16 I20 L21 E22	A15-K18 PolarHBondContact O-N 2.78Å; F16-K18 VanDerWaalsContact C-N 3.31Å; K18-I20 PolarHBondContact O-N 3.39Å; K18-L21 PolarHBondContact O-N 3.11Å; K18-L21 VanDerWaalsContact O-N 3.16Å; K18-E22 WeakPolarHBondContact CE-OE1 3.43Å; K18-E22 IonicContact NZ-OE1 3.5Å; K18-E22 PolarHBondContact NZ-OE1 3.24Å; K18-E22 PolarHBondContact O-N 3.08Å
19	D	64.6	Low	58.6	Low	120 Å²	120	120.8 Å²	120.8	64%	0.642	61%	0.614	S	S	*	*	H	α-helix	trans	-60.6	-35.8	177.5	-67.5	-16.2	0	0	0	111.8	G23	D19-G23 PolarHBondContact O-N 3.26Å; D19-G23 VanDerWaalsContact O-N 3.1Å
20	I	58.9	Low	57.5	Low	73 Å²	73	123.4 Å²	123.4	37%	0.374	63%	0.627	S	S	.	*	H	α-helix	trans	-66.3	-45.7	175.6	-68.2	173.2	0	0	0	110.9	F16 K18 G23 V24	F16-I20 HydrophobicContact CD1-CD1 3.78Å; F16-I20 HydrophobicContact CE1-CD1 3.81Å; F16-I20 WeakPolarHBondContact O-CD1 3.41Å; F16-I20 WeakPolarHBondContact O-CG1 3.22Å; K18-I20 PolarHBondContact O-N 3.39Å; I20-G23 PolarHBondContact O-N 3.4Å; I20-V24 HydrophobicContact CG2-CG2 4.25Å; I20-V24 WeakPolarHBondContact O-CB 3.5Å; I20-V24 WeakPolarHBondContact O-CG2 3.25Å; I20-V24 PolarHBondContact O-N 3.27Å
21	L	60.8	Low	56.4	Low	107 Å²	107	120.6 Å²	120.6	56%	0.56	63%	0.628	S	S	*	*	H	α-helix	trans	-67.9	-41.3	-178.3	-74.1	168.8	0	0	0	112.5	L17 K18	L17-L21 HydrophobicContact CG-CD1 4.15Å; L17-L21 WeakPolarHBondContact O-CG 3.48Å; L17-L21 PolarHBondContact O-N 2.84Å; K18-L21 PolarHBondContact O-N 3.11Å; K18-L21 VanDerWaalsContact O-N 3.16Å
22	E	56.3	Low	55.1	Low	125 Å²	125	118.9 Å²	118.9	58%	0.584	62%	0.622	S	S	*	*	H	α-helix	trans	-69.3	-34.1	177	-68.6	-175.4	-162.4	0	0	112.1	K18	K18-E22 WeakPolarHBondContact CE-OE1 3.43Å; K18-E22 IonicContact NZ-OE1 3.5Å; K18-E22 PolarHBondContact NZ-OE1 3.24Å; K18-E22 PolarHBondContact O-N 3.08Å
23	G	53.8	Low	54.7	Low	56 Å²	56	116 Å²	116	58%	0.577	61%	0.612	S	S	*	*	H	α-helix	trans	-75.8	-31.3	177.5	0	0	0	0	0	115.4	D19 I20	D19-G23 PolarHBondContact O-N 3.26Å; D19-G23 VanDerWaalsContact O-N 3.1Å; I20-G23 PolarHBondContact O-N 3.4Å
24	V	55.8	Low	54.2	Low	111 Å²	111	113.5 Å²	113.5	67%	0.673	61%	0.607	S	S	*	*	H	α-helix	trans	-74	-24.5	-179	164	0	0	0	0	112.9	I20	I20-V24 HydrophobicContact CG2-CG2 4.25Å; I20-V24 WeakPolarHBondContact O-CB 3.5Å; I20-V24 WeakPolarHBondContact O-CG2 3.25Å; I20-V24 PolarHBondContact O-N 3.27Å
25	Q	50.2	Low	54.1	Low	166 Å²	166	108.1 Å²	108.1	78%	0.776	58%	0.581	S	S	*	*	S	Bend	trans	-93.9	-12.2	-161.2	-154.9	176.6	18.2	0	0	116.5
26	K	42.7	Very low	53.9	Low	159 Å²	159	107.6 Å²	107.6	69%	0.691	57%	0.568	S	S	*	*	S	Bend	trans	-119.4	-53.7	-171.9	-80.4	179.3	175.5	170.2	0	116.5
27	D	44.7	Very low	54.3	Low	136 Å²	136	102.1 Å²	102.1	73%	0.727	54%	0.544	S	S	*	.	S	Bend	trans	-93.9	-16.8	-156.9	-65.5	-17.6	0	0	0	115.3
28	F	42.4	Very low	55	Low	159 Å²	159	101.1 Å²	101.1	70%	0.697	54%	0.539	S	S	*	.	S	Bend	trans	-85.8	-43.7	-167.8	-149	-92.9	0	0	0	114.7	T32	F28-T32 PolarHBondContact O-OG1 2.85Å
29	V	42.6	Very low	55.8	Low	128 Å²	128	94.9 Å²	94.9	78%	0.776	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-29.6	-171	-179.5	0	0	0	0	112.9	A31	V29-A31 VanDerWaalsContact C-N 3.33Å; V29-A31 PolarHBondContact O-N 3.25Å
30	I	44.1	Very low	56.6	Low	159 Å²	159	90.2 Å²	90.2	82%	0.815	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-18.6	-174.3	-62.1	174.3	0	0	0	112.2
31	A	46.9	Very low	57.7	Low	84 Å²	84	87 Å²	87	69%	0.694	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	-16.3	-168.7	0	0	0	0	0	115.6	V29	V29-A31 VanDerWaalsContact C-N 3.33Å; V29-A31 PolarHBondContact O-N 3.25Å
32	T	46.3	Very low	58.6	Low	61 Å²	61	83.3 Å²	83.3	37%	0.374	46%	0.457	S	S	.	.			trans	-102.6	114.3	-173.3	49.8	0	0	0	0	112.5	F28 Q34	F28-T32 PolarHBondContact O-OG1 2.85Å; T32-Q34 PolarHBondContact O-N 3.04Å
33	N	53.2	Low	59.8	Low	123 Å²	123	82.4 Å²	82.4	66%	0.658	46%	0.459	S	S	*	.			trans	-74.4	62	177.9	-161.2	42.6	0	0	0	111.9
34	Q	55.8	Low	61.1	Low	92 Å²	92	82.8 Å²	82.8	43%	0.43	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	143.1	-177.1	-74.8	-176.1	-74.9	0	0	111.3	T32 K64 A65	T32-Q34 PolarHBondContact O-N 3.04Å; Q34-K64 VanDerWaalsContact CA-O 3.31Å; Q34-K64 WeakPolarHBondContact CA-O 3.44Å; Q34-K64 HydrophobicContact CG-CB 4.31Å; Q34-A65 PolarHBondContact NE2-O 3.1Å
35	H	58.5	Low	62.4	Low	33 Å²	33	78 Å²	78	15%	0.153	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	140.7	176.9	-64.3	-7.9	0	0	0	110.2	K64 G66	H35-K64 PolarHBondContact N-O 2.65Å; H35-G66 PolarHBondContact O-N 2.97Å
36	D	66.1	Low	64.1	Low	70 Å²	70	73.6 Å²	73.6	37%	0.374	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	137.9	168.4	-79.2	8	0	0	0	109.6	K67	D36-K67 WeakPolarHBondContact CA-O 3.49Å; D36-K67 VanDerWaalsContact OD1-CB 3.28Å; D36-K67 WeakPolarHBondContact OD1-CB 3.48Å; D36-K67 PolarHBondContact OD1-N 3.48Å
37	I	71.4	Confident	65.9	Low	1 Å²	1	72.1 Å²	72.1	1%	0.005	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	106.7	-176.4	-61.2	164	0	0	0	106.4	V39 L54 V57 A65 K67 L68 V69 I82	I37-V39 HydrophobicContact CG2-CG2 4.12Å; I37-L54 HydrophobicContact CD1-CD2 4Å; I37-V57 HydrophobicContact CD1-CB 3.93Å; I37-V57 HydrophobicContact CD1-CG1 3.53Å; I37-V57 HydrophobicContact CD1-CG2 4.29Å; I37-V57 HydrophobicContact CG1-CG1 4.05Å; I37-V57 HydrophobicContact CG2-CG2 4.17Å; I37-A65 HydrophobicContact CD1-CB 3.54Å; I37-K67 PolarHBondContact N-O 2.85Å; I37-L68 WeakPolarHBondContact O-CA 3.28Å; I37-V69 PolarHBondContact O-N 2.78Å; I37-I82 HydrophobicContact CG2-CG2 3.65Å
38	V	77	Confident	67.7	Low	29 Å²	29	72.1 Å²	72.1	18%	0.176	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	125.1	176.5	-174.2	0	0	0	0	108.4	V69 I82 N83	V38-V69 CarbonylContact C-O 3.57Å; V38-V69 WeakPolarHBondContact CA-O 3.49Å; V38-V69 HydrophobicContact CG2-CB 4.29Å; V38-I82 WeakPolarHBondContact O-CA 3.47Å; V38-N83 HydrophobicContact CB-CB 4.36Å; V38-N83 PolarHBondContact N-O 3.4Å; V38-N83 PolarHBondContact O-N 2.85Å
39	V	80.1	Confident	69.6	Low	0 Å²	0	68.6 Å²	68.6	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	113.2	175.3	-169.9	0	0	0	0	109	I37 L45 I53 L68 V69 N71 F80 I81 I82	I37-V39 HydrophobicContact CG2-CG2 4.12Å; V39-L45 HydrophobicContact CB-CD1 4.25Å; V39-L45 HydrophobicContact CG1-CD1 3.86Å; V39-I53 HydrophobicContact CG1-CD1 4.28Å; V39-I53 HydrophobicContact CG2-CG2 3.99Å; V39-L68 HydrophobicContact CB-CD2 4.43Å; V39-L68 HydrophobicContact CG2-CD1 4Å; V39-L68 HydrophobicContact CG2-CD2 4.05Å; V39-L68 HydrophobicContact CG2-CG 3.89Å; V39-V69 PolarHBondContact N-O 2.87Å; V39-N71 PolarHBondContact O-N 2.66Å; V39-F80 HydrophobicContact CG1-CB 3.98Å; V39-I81 CarbonylContact C-O 3.57Å; V39-I81 VanDerWaalsContact CA-O 3.29Å; V39-I81 WeakPolarHBondContact CA-O 3.32Å; V39-I82 HydrophobicContact CG1-CG1 4.34Å; V39-I82 HydrophobicContact CG2-CG1 4.37Å
40	T	81.6	Confident	71.5	Confident	22 Å²	22	64.9 Å²	64.9	14%	0.135	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	130.3	173.6	-43.4	0	0	0	0	109.6	N71 D73 I76 F80 I81	T40-N71 WeakPolarHBondContact CA-O 3.23Å; T40-N71 HydrophobicContact CG2-CB 4.08Å; T40-D73 HydrophobicContact CG2-CB 3.51Å; T40-I76 HydrophobicContact CG2-CD1 3.7Å; T40-F80 CarbonylContact O-C 3.58Å; T40-F80 VanDerWaalsContact O-CA 3.25Å; T40-F80 WeakPolarHBondContact O-CA 3.31Å; T40-I81 PolarHBondContact N-O 2.89Å; T40-I81 PolarHBondContact O-N 2.99Å
41	T	80.8	Confident	73.4	Confident	7 Å²	7	64.1 Å²	64.1	4%	0.043	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	153.4	-171.1	173.1	0	0	0	0	111.1	V43 L45 N71 I72 D73	T41-V43 VanDerWaalsContact C-N 3.31Å; T41-V43 WeakPolarHBondContact CG2-O 3.09Å; T41-V43 PolarHBondContact O-N 2.93Å; T41-V43 PolarHBondContact OG1-N 3.09Å; T41-V43 PolarHBondContact OG1-O 3.37Å; T41-L45 HydrophobicContact CG2-CD1 4.38Å; T41-L45 HydrophobicContact CG2-CG 4.1Å; T41-N71 PolarHBondContact N-O 3.2Å; T41-I72 CarbonylContact O-C 3.54Å; T41-I72 VanDerWaalsContact O-CA 3.3Å; T41-I72 WeakPolarHBondContact O-CA 3.49Å; T41-D73 PolarHBondContact O-N 3.1Å
42	A	80.4	Confident	75.1	Confident	28 Å²	28	68.2 Å²	68.2	23%	0.231	36%	0.357	C	S	.	.	S	Bend	trans	-74.6	-19.2	177.5	0	0	0	0	0	114.2	D73 I76	A42-D73 WeakPolarHBondContact CA-O 3.27Å; A42-I76 HydrophobicContact CB-CB 4.27Å; A42-I76 VanDerWaalsContact CB-O 3.28Å; A42-I76 WeakPolarHBondContact CB-O 3.2Å
43	V	81.3	Confident	76.7	Confident	106 Å²	106	65.6 Å²	65.6	64%	0.642	34%	0.341	S	S	*	.	S	Bend	trans	-144.5	152.7	-179.3	-66.8	0	0	0	0	110.5	T41 L45	T41-V43 VanDerWaalsContact C-N 3.31Å; T41-V43 WeakPolarHBondContact CG2-O 3.09Å; T41-V43 PolarHBondContact O-N 2.93Å; T41-V43 PolarHBondContact OG1-N 3.09Å; T41-V43 PolarHBondContact OG1-O 3.37Å; V43-L45 PolarHBondContact O-N 3.09Å
44	A	81.6	Confident	78	Confident	64 Å²	64	62.2 Å²	62.2	53%	0.529	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-59.3	133.2	178.4	0	0	0	0	0	112.2	E70 I72	A44-E70 WeakPolarHBondContact CA-OE1 3.17Å; A44-I72 HydrophobicContact CB-CD1 4.23Å
45	L	82.4	Confident	79.1	Confident	10 Å²	10	60.8 Å²	60.8	5%	0.052	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-79	135.9	-179.8	-60	164.5	0	0	0	110.5	V39 T41 V43 Q49 K50 I53 E70	V39-L45 HydrophobicContact CB-CD1 4.25Å; V39-L45 HydrophobicContact CG1-CD1 3.86Å; T41-L45 HydrophobicContact CG2-CD1 4.38Å; T41-L45 HydrophobicContact CG2-CG 4.1Å; V43-L45 PolarHBondContact O-N 3.09Å; L45-Q49 HydrophobicContact CB-CB 4.19Å; L45-Q49 HydrophobicContact CD2-CB 4.19Å; L45-K50 HydrophobicContact CB-CD 4.44Å; L45-K50 HydrophobicContact CB-CG 3.91Å; L45-K50 HydrophobicContact CD1-CG 4.44Å; L45-K50 WeakPolarHBondContact O-CE 3.47Å; L45-K50 PolarHBondContact O-NZ 3.39Å; L45-I53 HydrophobicContact CD1-CD1 3.86Å; L45-I53 HydrophobicContact CD2-CD1 4.14Å; L45-E70 WeakPolarHBondContact CB-OE1 3.32Å; L45-E70 PolarHBondContact N-OE1 3.49Å
46	T	85.2	Confident	80.1	Confident	75 Å²	75	63.4 Å²	63.4	46%	0.46	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-68.6	159.4	168.7	70.7	0	0	0	0	111	E48 Q49 K50	T46-E48 PolarHBondContact O-N 3.03Å; T46-Q49 WeakPolarHBondContact O-CA 3.33Å; T46-Q49 WeakPolarHBondContact O-CB 3.46Å; T46-Q49 PolarHBondContact O-N 2.9Å; T46-Q49 WeakPolarHBondContact OG1-CG 3.43Å; T46-Q49 PolarHBondContact OG1-N 3.44Å; T46-Q49 PolarHBondContact OG1-OE1 3.29Å; T46-K50 WeakPolarHBondContact O-CG 3.44Å; T46-K50 PolarHBondContact O-N 3.46Å
47	D	81.7	Confident	80.4	Confident	128 Å²	128	60.2 Å²	60.2	68%	0.684	32%	0.324	S	S	*	.	H	α-helix	trans	-60.1	-35.3	177.8	-58.3	-47.3	0	0	0	112.1	Q49 K50 E51	D47-Q49 VanDerWaalsContact C-N 3.35Å; D47-Q49 PolarHBondContact O-N 2.76Å; D47-K50 PolarHBondContact O-N 2.94Å; D47-E51 PolarHBondContact O-N 3.32Å
48	E	82.4	Confident	80.5	Confident	136 Å²	136	62.4 Å²	62.4	64%	0.636	34%	0.342	S	S	*	.	H	α-helix	trans	-61.8	-39.9	172.4	-169	-167.5	156.8	0	0	111.9	T46 R52	T46-E48 PolarHBondContact O-N 3.03Å; E48-R52 WeakPolarHBondContact O-CB 3.49Å; E48-R52 PolarHBondContact O-N 3.02Å; E48-R52 VanDerWaalsContact O-N 3.09Å
49	Q	82.9	Confident	80.4	Confident	84 Å²	84	68.7 Å²	68.7	39%	0.393	37%	0.37	S	S	.	.	H	α-helix	trans	-67.4	-40.3	174	-71.2	171.8	-50.3	0	0	111.3	L45 T46 D47 R52 I53	L45-Q49 HydrophobicContact CB-CB 4.19Å; L45-Q49 HydrophobicContact CD2-CB 4.19Å; T46-Q49 WeakPolarHBondContact O-CA 3.33Å; T46-Q49 WeakPolarHBondContact O-CB 3.46Å; T46-Q49 PolarHBondContact O-N 2.9Å; T46-Q49 WeakPolarHBondContact OG1-CG 3.43Å; T46-Q49 PolarHBondContact OG1-N 3.44Å; T46-Q49 PolarHBondContact OG1-OE1 3.29Å; D47-Q49 VanDerWaalsContact C-N 3.35Å; D47-Q49 PolarHBondContact O-N 2.76Å; Q49-R52 PolarHBondContact O-N 3.07Å; Q49-I53 WeakPolarHBondContact O-CB 3.36Å; Q49-I53 WeakPolarHBondContact O-CD1 3.45Å; Q49-I53 VanDerWaalsContact O-CG1 3.27Å; Q49-I53 WeakPolarHBondContact O-CG1 3.49Å; Q49-I53 PolarHBondContact O-N 3.13Å
50	K	82.5	Confident	80	Confident	50 Å²	50	76.5 Å²	76.5	22%	0.217	40%	0.404	C	S	.	.	H	α-helix	trans	-63.2	-49.8	178.2	-69.8	169.7	178.8	168.4	0	111.6	L45 T46 D47 R52 I53 L54 L68 E70	L45-K50 HydrophobicContact CB-CD 4.44Å; L45-K50 HydrophobicContact CB-CG 3.91Å; L45-K50 HydrophobicContact CD1-CG 4.44Å; L45-K50 WeakPolarHBondContact O-CE 3.47Å; L45-K50 PolarHBondContact O-NZ 3.39Å; T46-K50 WeakPolarHBondContact O-CG 3.44Å; T46-K50 PolarHBondContact O-N 3.46Å; D47-K50 PolarHBondContact O-N 2.94Å; K50-R52 VanDerWaalsContact C-N 3.3Å; K50-R52 PolarHBondContact O-N 2.83Å; K50-I53 PolarHBondContact O-N 3.07Å; K50-L54 WeakPolarHBondContact O-CB 3.38Å; K50-L54 WeakPolarHBondContact O-CD1 3.35Å; K50-L54 VanDerWaalsContact O-CG 3.23Å; K50-L54 WeakPolarHBondContact O-CG 3.44Å; K50-L54 PolarHBondContact O-N 2.97Å; K50-L68 HydrophobicContact CB-CD1 4.29Å; K50-L68 HydrophobicContact CG-CD1 4.39Å; K50-L68 HydrophobicContact CG-CD2 4.37Å; K50-E70 WeakPolarHBondContact CE-OE2 3.28Å; K50-E70 IonicContact NZ-OE1 3.17Å; K50-E70 IonicContact NZ-OE2 3.6Å; K50-E70 PolarHBondContact NZ-OE2 2.9Å
51	E	82.3	Confident	79.2	Confident	144 Å²	144	79.8 Å²	79.8	67%	0.673	42%	0.416	S	S	*	.	H	α-helix	trans	-58.2	-42.1	174.1	-73.5	-163	147.3	0	0	112.2	D47 L54 A55	D47-E51 PolarHBondContact O-N 3.32Å; E51-L54 WeakPolarHBondContact O-CB 3.37Å; E51-L54 PolarHBondContact O-N 3.44Å; E51-A55 WeakPolarHBondContact O-CB 3.32Å; E51-A55 PolarHBondContact O-N 2.67Å
52	R	82.8	Confident	78.5	Confident	169 Å²	169	82.6 Å²	82.6	64%	0.638	45%	0.447	S	S	*	.	H	α-helix	trans	-70.3	-33	-178.3	-169.9	169.3	176.7	177.6	-3.5	113	E48 Q49 K50 L56	E48-R52 WeakPolarHBondContact O-CB 3.49Å; E48-R52 PolarHBondContact O-N 3.02Å; E48-R52 VanDerWaalsContact O-N 3.09Å; Q49-R52 PolarHBondContact O-N 3.07Å; K50-R52 VanDerWaalsContact C-N 3.3Å; K50-R52 PolarHBondContact O-N 2.83Å; R52-L56 WeakPolarHBondContact O-CB 3.37Å; R52-L56 PolarHBondContact O-N 3.04Å; R52-L56 VanDerWaalsContact O-N 3.12Å
53	I	81.3	Confident	77.6	Confident	6 Å²	6	82.1 Å²	82.1	3%	0.031	44%	0.441	C	S	.	.	H	α-helix	trans	-69.1	-45.4	170.2	-71.8	161.7	0	0	0	110.5	V39 L45 Q49 K50 A55 L56 V57 L68 I82	V39-I53 HydrophobicContact CG1-CD1 4.28Å; V39-I53 HydrophobicContact CG2-CG2 3.99Å; L45-I53 HydrophobicContact CD1-CD1 3.86Å; L45-I53 HydrophobicContact CD2-CD1 4.14Å; Q49-I53 WeakPolarHBondContact O-CB 3.36Å; Q49-I53 WeakPolarHBondContact O-CD1 3.45Å; Q49-I53 VanDerWaalsContact O-CG1 3.27Å; Q49-I53 WeakPolarHBondContact O-CG1 3.49Å; Q49-I53 PolarHBondContact O-N 3.13Å; K50-I53 PolarHBondContact O-N 3.07Å; I53-A55 VanDerWaalsContact C-N 3.32Å; I53-A55 PolarHBondContact O-N 3.1Å; I53-L56 PolarHBondContact O-N 3.1Å; I53-V57 HydrophobicContact CG2-CG2 4.48Å; I53-V57 WeakPolarHBondContact O-CG2 3.46Å; I53-V57 PolarHBondContact O-N 2.8Å; I53-L68 HydrophobicContact CB-CD1 4.28Å; I53-L68 HydrophobicContact CG2-CD1 3.97Å; I53-I82 HydrophobicContact CG2-CD1 3.87Å; I53-I82 HydrophobicContact CG2-CG1 4.42Å
54	L	78.9	Confident	76.6	Confident	53 Å²	53	84.9 Å²	84.9	28%	0.277	44%	0.444	S	S	.	.	H	α-helix	trans	-58.1	-43.5	176.6	-73.5	164.8	0	0	0	111.8	I37 K50 E51 V57 A58 A65 L68	I37-L54 HydrophobicContact CD1-CD2 4Å; K50-L54 WeakPolarHBondContact O-CB 3.38Å; K50-L54 WeakPolarHBondContact O-CD1 3.35Å; K50-L54 VanDerWaalsContact O-CG 3.23Å; K50-L54 WeakPolarHBondContact O-CG 3.44Å; K50-L54 PolarHBondContact O-N 2.97Å; E51-L54 WeakPolarHBondContact O-CB 3.37Å; E51-L54 PolarHBondContact O-N 3.44Å; L54-V57 PolarHBondContact O-N 3.34Å; L54-A58 WeakPolarHBondContact O-CB 3.35Å; L54-A58 PolarHBondContact O-N 3.34Å; L54-A65 HydrophobicContact CD2-CB 3.32Å; L54-L68 HydrophobicContact CD2-CB 4.22Å; L54-L68 HydrophobicContact CD2-CD1 4.4Å; L54-L68 HydrophobicContact CG-CD1 4.07Å
55	A	80.5	Confident	75.5	Confident	61 Å²	61	83.2 Å²	83.2	50%	0.504	43%	0.431	S	S	.	.	H	α-helix	trans	-62.7	-46.7	174.8	0	0	0	0	0	112.4	E51 I53 V57 A58 E59	E51-A55 WeakPolarHBondContact O-CB 3.32Å; E51-A55 PolarHBondContact O-N 2.67Å; I53-A55 VanDerWaalsContact C-N 3.32Å; I53-A55 PolarHBondContact O-N 3.1Å; A55-V57 VanDerWaalsContact C-N 3.34Å; A55-V57 PolarHBondContact O-N 2.92Å; A55-A58 PolarHBondContact O-N 2.98Å; A55-E59 WeakPolarHBondContact O-CB 3.31Å; A55-E59 PolarHBondContact O-N 3.4Å
56	L	78.9	Confident	74.6	Confident	88 Å²	88	84.4 Å²	84.4	46%	0.461	45%	0.446	S	S	.	.	H	α-helix	trans	-61.5	-38.5	177	-87.7	164.6	0	0	0	112.9	R52 I53 K60	R52-L56 WeakPolarHBondContact O-CB 3.37Å; R52-L56 PolarHBondContact O-N 3.04Å; R52-L56 VanDerWaalsContact O-N 3.12Å; I53-L56 PolarHBondContact O-N 3.1Å; L56-K60 WeakPolarHBondContact O-CB 3.36Å; L56-K60 PolarHBondContact O-N 3.33Å
57	V	73.1	Confident	73.8	Confident	4 Å²	4	86.9 Å²	86.9	2%	0.024	45%	0.45	C	S	.	.	H	α-helix	trans	-70.2	-42.4	176.7	172.6	0	0	0	0	111.1	I37 I53 L54 A55 E59 K60 F61 V63 I82 V84	I37-V57 HydrophobicContact CD1-CB 3.93Å; I37-V57 HydrophobicContact CD1-CG1 3.53Å; I37-V57 HydrophobicContact CD1-CG2 4.29Å; I37-V57 HydrophobicContact CG1-CG1 4.05Å; I37-V57 HydrophobicContact CG2-CG2 4.17Å; I53-V57 HydrophobicContact CG2-CG2 4.48Å; I53-V57 WeakPolarHBondContact O-CG2 3.46Å; I53-V57 PolarHBondContact O-N 2.8Å; L54-V57 PolarHBondContact O-N 3.34Å; A55-V57 VanDerWaalsContact C-N 3.34Å; A55-V57 PolarHBondContact O-N 2.92Å; V57-E59 PolarHBondContact O-N 2.96Å; V57-K60 PolarHBondContact O-N 2.68Å; V57-F61 HydrophobicContact CB-CD2 4.43Å; V57-F61 HydrophobicContact CG1-CD2 3.95Å; V57-F61 WeakPolarHBondContact O-CB 3.44Å; V57-F61 PolarHBondContact O-N 2.99Å; V57-V63 HydrophobicContact CG1-CG2 4.34Å; V57-I82 HydrophobicContact CG2-CG2 3.89Å; V57-V84 HydrophobicContact CG1-CG1 4.44Å; V57-V84 HydrophobicContact CG1-CG2 3.73Å; V57-V84 HydrophobicContact CG2-CG2 4.21Å
58	A	73	Confident	73.4	Confident	46 Å²	46	82.4 Å²	82.4	38%	0.38	43%	0.426	S	S	.	.	H	α-helix	trans	-62	-43	176.4	0	0	0	0	0	112.3	L54 A55 G62	L54-A58 WeakPolarHBondContact O-CB 3.35Å; L54-A58 PolarHBondContact O-N 3.34Å; A55-A58 PolarHBondContact O-N 2.98Å; A58-G62 WeakPolarHBondContact O-CA 3.28Å; A58-G62 PolarHBondContact O-N 3.33Å; A58-G62 VanDerWaalsContact O-N 3.09Å
59	E	75.3	Confident	73.2	Confident	161 Å²	161	77.9 Å²	77.9	75%	0.752	41%	0.407	S	S	*	.	H	α-helix	trans	-64.6	-46.3	175.8	-176.1	-179	-174.7	0	0	112	A55 V57	A55-E59 WeakPolarHBondContact O-CB 3.31Å; A55-E59 PolarHBondContact O-N 3.4Å; V57-E59 PolarHBondContact O-N 2.96Å
60	K	70.5	Confident	73	Confident	164 Å²	164	76.7 Å²	76.7	71%	0.713	40%	0.402	S	S	*	.	H	α-helix	trans	-84	-26.5	-169.1	-167.7	174.5	-178	-177.6	0	114.5	L56 V57	L56-K60 WeakPolarHBondContact O-CB 3.36Å; L56-K60 PolarHBondContact O-N 3.33Å; V57-K60 PolarHBondContact O-N 2.68Å
61	F	66.5	Low	72.8	Confident	91 Å²	91	78.1 Å²	78.1	40%	0.399	41%	0.412	S	S	.	.	H	α-helix	trans	-119.5	-7.3	-176.1	-61.4	-85.3	0	0	0	114	V57 V63 V84	V57-F61 HydrophobicContact CB-CD2 4.43Å; V57-F61 HydrophobicContact CG1-CD2 3.95Å; V57-F61 WeakPolarHBondContact O-CB 3.44Å; V57-F61 PolarHBondContact O-N 2.99Å; F61-V63 HydrophobicContact CB-CG2 3.97Å; F61-V63 PolarHBondContact O-N 3.5Å; F61-V63 VanDerWaalsContact O-N 3.16Å; F61-V84 HydrophobicContact CD2-CG2 4.14Å; F61-V84 HydrophobicContact CE2-CG2 4Å; F61-V84 HydrophobicContact CZ-CG2 4.39Å
62	G	64.1	Low	72.7	Confident	67 Å²	67	76.1 Å²	76.1	69%	0.691	41%	0.405	S	S	*	.			trans	69.7	7.2	175.6	0	0	0	0	0	115.6	A58	A58-G62 WeakPolarHBondContact O-CA 3.28Å; A58-G62 PolarHBondContact O-N 3.33Å; A58-G62 VanDerWaalsContact O-N 3.09Å
63	V	62.7	Low	72.5	Confident	17 Å²	17	71 Å²	71	10%	0.103	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-96.1	147.3	179.7	-70.2	0	0	0	0	111.4	V57 F61 V84	V57-V63 HydrophobicContact CG1-CG2 4.34Å; F61-V63 HydrophobicContact CB-CG2 3.97Å; F61-V63 PolarHBondContact O-N 3.5Å; F61-V63 VanDerWaalsContact O-N 3.16Å; V63-V84 HydrophobicContact CG2-CG1 4.32Å
64	K	59.8	Low	72.1	Confident	164 Å²	164	79.2 Å²	79.2	71%	0.713	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	127.3	167.4	-72.2	-174.3	176.4	-177.2	0	108.3	Q34 H35 G66	Q34-K64 VanDerWaalsContact CA-O 3.31Å; Q34-K64 WeakPolarHBondContact CA-O 3.44Å; Q34-K64 HydrophobicContact CG-CB 4.31Å; H35-K64 PolarHBondContact N-O 2.65Å; K64-G66 PolarHBondContact O-N 2.9Å
65	A	58.6	Low	72	Confident	29 Å²	29	81 Å²	81	24%	0.24	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	137.7	171.9	0	0	0	0	0	111	Q34 I37 L54	Q34-A65 PolarHBondContact NE2-O 3.1Å; I37-A65 HydrophobicContact CD1-CB 3.54Å; L54-A65 HydrophobicContact CD2-CB 3.32Å
66	G	63.8	Low	71.5	Confident	36 Å²	36	79.4 Å²	79.4	37%	0.371	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	-66.2	164.8	0	0	0	0	0	109.8	H35 K64	H35-G66 PolarHBondContact O-N 2.97Å; K64-G66 PolarHBondContact O-N 2.9Å
67	K	68.1	Low	70.7	Confident	127 Å²	127	84.2 Å²	84.2	55%	0.552	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.9	142.5	-178.9	-170.6	-176.9	175.1	-168.5	0	109.7	D36 I37 V69	D36-K67 WeakPolarHBondContact CA-O 3.49Å; D36-K67 VanDerWaalsContact OD1-CB 3.28Å; D36-K67 WeakPolarHBondContact OD1-CB 3.48Å; D36-K67 PolarHBondContact OD1-N 3.48Å; I37-K67 PolarHBondContact N-O 2.85Å; K67-V69 HydrophobicContact CD-CG2 4.08Å; K67-V69 HydrophobicContact CG-CG2 4.28Å
68	L	74.2	Confident	70.1	Confident	33 Å²	33	87 Å²	87	17%	0.173	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	120.9	161.9	-168.5	151.8	0	0	0	107.3	I37 V39 K50 I53 L54 E70	I37-L68 WeakPolarHBondContact O-CA 3.28Å; V39-L68 HydrophobicContact CB-CD2 4.43Å; V39-L68 HydrophobicContact CG2-CD1 4Å; V39-L68 HydrophobicContact CG2-CD2 4.05Å; V39-L68 HydrophobicContact CG2-CG 3.89Å; K50-L68 HydrophobicContact CB-CD1 4.29Å; K50-L68 HydrophobicContact CG-CD1 4.39Å; K50-L68 HydrophobicContact CG-CD2 4.37Å; I53-L68 HydrophobicContact CB-CD1 4.28Å; I53-L68 HydrophobicContact CG2-CD1 3.97Å; L54-L68 HydrophobicContact CD2-CB 4.22Å; L54-L68 HydrophobicContact CD2-CD1 4.4Å; L54-L68 HydrophobicContact CG-CD1 4.07Å; L68-E70 HydrophobicContact CD2-CB 4.22Å
69	V	76.5	Confident	69.8	Low	41 Å²	41	87 Å²	87	25%	0.248	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	125.3	174	178.8	0	0	0	0	107.2	I37 V38 V39 K67	I37-V69 PolarHBondContact O-N 2.78Å; V38-V69 CarbonylContact C-O 3.57Å; V38-V69 WeakPolarHBondContact CA-O 3.49Å; V38-V69 HydrophobicContact CG2-CB 4.29Å; V39-V69 PolarHBondContact N-O 2.87Å; K67-V69 HydrophobicContact CD-CG2 4.08Å; K67-V69 HydrophobicContact CG-CG2 4.28Å
70	E	78.7	Confident	69.5	Low	60 Å²	60	84.3 Å²	84.3	28%	0.28	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	117.8	-173.8	176.3	172.8	-148.4	0	0	109.5	A44 L45 K50 L68	A44-E70 WeakPolarHBondContact CA-OE1 3.17Å; L45-E70 WeakPolarHBondContact CB-OE1 3.32Å; L45-E70 PolarHBondContact N-OE1 3.49Å; K50-E70 WeakPolarHBondContact CE-OE2 3.28Å; K50-E70 IonicContact NZ-OE1 3.17Å; K50-E70 IonicContact NZ-OE2 3.6Å; K50-E70 PolarHBondContact NZ-OE2 2.9Å; L68-E70 HydrophobicContact CD2-CB 4.22Å
71	N	80.1	Confident	69.5	Low	79 Å²	79	80.8 Å²	80.8	42%	0.422	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	131.1	173.6	-73.1	-1.7	0	0	0	108.8	V39 T40 T41	V39-N71 PolarHBondContact O-N 2.66Å; T40-N71 WeakPolarHBondContact CA-O 3.23Å; T40-N71 HydrophobicContact CG2-CB 4.08Å; T41-N71 PolarHBondContact N-O 3.2Å
72	I	78.8	Confident	69.7	Low	103 Å²	103	79 Å²	79	53%	0.528	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	127	173.1	-60.3	177.1	0	0	0	108.4	T41 A44	T41-I72 CarbonylContact O-C 3.54Å; T41-I72 VanDerWaalsContact O-CA 3.3Å; T41-I72 WeakPolarHBondContact O-CA 3.49Å; A44-I72 HydrophobicContact CB-CD1 4.23Å
73	D	78.2	Confident	69.8	Low	60 Å²	60	80.1 Å²	80.1	32%	0.321	45%	0.445	S	S	.	.			trans	-136.7	102.6	179.5	179.3	-6.6	0	0	0	109.1	T40 T41 A42 S75 I76	T40-D73 HydrophobicContact CG2-CB 3.51Å; T41-D73 PolarHBondContact O-N 3.1Å; A42-D73 WeakPolarHBondContact CA-O 3.27Å; D73-S75 VanDerWaalsContact CG-OG 3.3Å; D73-S75 PolarHBondContact O-N 3.26Å; D73-S75 VanDerWaalsContact OD1-CB 3.26Å; D73-S75 WeakPolarHBondContact OD1-CB 3.46Å; D73-S75 PolarHBondContact OD1-N 2.99Å; D73-S75 PolarHBondContact OD1-OG 3.41Å; D73-S75 PolarHBondContact OD2-OG 3.36Å; D73-I76 HydrophobicContact CB-CD1 3.99Å; D73-I76 HydrophobicContact CB-CG1 4.13Å; D73-I76 PolarHBondContact O-N 2.8Å
74	E	74.6	Confident	69.8	Low	180 Å²	180	80.3 Å²	80.3	84%	0.841	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-9.7	-176.6	-58.9	-171.9	167.6	0	0	113.3	I76	E74-I76 VanDerWaalsContact C-N 3.31Å
75	S	75.2	Confident	69.7	Low	89 Å²	89	77 Å²	77	62%	0.622	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-17	174.8	77.6	0	0	0	0	113.5	D73 L77	D73-S75 VanDerWaalsContact CG-OG 3.3Å; D73-S75 PolarHBondContact O-N 3.26Å; D73-S75 VanDerWaalsContact OD1-CB 3.26Å; D73-S75 WeakPolarHBondContact OD1-CB 3.46Å; D73-S75 PolarHBondContact OD1-N 2.99Å; D73-S75 PolarHBondContact OD1-OG 3.41Å; D73-S75 PolarHBondContact OD2-OG 3.36Å; S75-L77 PolarHBondContact O-N 3.26Å; S75-L77 VanDerWaalsContact O-N 3.13Å
76	I	70.1	Confident	69.2	Low	29 Å²	29	79.7 Å²	79.7	15%	0.149	45%	0.446	C	S	.	.			trans	-73.3	106.1	-179.4	-61.5	179.8	0	0	0	109.6	T40 A42 D73 E74 G78 I81	T40-I76 HydrophobicContact CG2-CD1 3.7Å; A42-I76 HydrophobicContact CB-CB 4.27Å; A42-I76 VanDerWaalsContact CB-O 3.28Å; A42-I76 WeakPolarHBondContact CB-O 3.2Å; D73-I76 HydrophobicContact CB-CD1 3.99Å; D73-I76 HydrophobicContact CB-CG1 4.13Å; D73-I76 PolarHBondContact O-N 2.8Å; E74-I76 VanDerWaalsContact C-N 3.31Å; I76-G78 PolarHBondContact O-N 3.46Å; I76-I81 HydrophobicContact CD1-CD1 4.26Å
77	L	62.5	Low	67.9	Low	188 Å²	188	85.7 Å²	85.7	98%	0.984	46%	0.463	S	S	*	.	S	Bend	trans	-68.6	27.8	179.3	-68.5	169.8	0	0	0	115.2	S75	S75-L77 PolarHBondContact O-N 3.26Å; S75-L77 VanDerWaalsContact O-N 3.13Å
78	G	60.3	Low	66.3	Low	62 Å²	62	83.6 Å²	83.6	64%	0.639	46%	0.462	S	S	*	.	S	Bend	trans	115.8	130.5	177.9	0	0	0	0	0	113.6	I76	I76-G78 PolarHBondContact O-N 3.46Å
79	G	67	Low	64.3	Low	46 Å²	46	86.7 Å²	86.7	47%	0.474	48%	0.478	S	S	.	.	S	Bend	trans	118.6	-167.4	-179.4	0	0	0	0	0	112.6
80	F	68.9	Low	62.2	Low	105 Å²	105	93.6 Å²	93.6	46%	0.461	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	142	174.3	47.6	-101.5	0	0	0	110.5	V39 T40 I82	V39-F80 HydrophobicContact CG1-CB 3.98Å; T40-F80 CarbonylContact O-C 3.58Å; T40-F80 VanDerWaalsContact O-CA 3.25Å; T40-F80 WeakPolarHBondContact O-CA 3.31Å; F80-I82 HydrophobicContact CD2-CD1 3.93Å; F80-I82 HydrophobicContact CD2-CG1 3.92Å; F80-I82 HydrophobicContact CE2-CD1 3.84Å; F80-I82 HydrophobicContact CE2-CG1 4.35Å
81	I	71.2	Confident	60.5	Low	91 Å²	91	96 Å²	96	47%	0.467	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	127	175.4	-58.8	175	0	0	0	107.5	V39 T40 I76	V39-I81 CarbonylContact C-O 3.57Å; V39-I81 VanDerWaalsContact CA-O 3.29Å; V39-I81 WeakPolarHBondContact CA-O 3.32Å; T40-I81 PolarHBondContact N-O 2.89Å; T40-I81 PolarHBondContact O-N 2.99Å; I76-I81 HydrophobicContact CD1-CD1 4.26Å
82	I	70.2	Confident	58.8	Low	54 Å²	54	99 Å²	99	28%	0.277	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	109.1	178.2	-55.8	170.2	0	0	0	109	I37 V38 V39 I53 V57 F80 V84	I37-I82 HydrophobicContact CG2-CG2 3.65Å; V38-I82 WeakPolarHBondContact O-CA 3.47Å; V39-I82 HydrophobicContact CG1-CG1 4.34Å; V39-I82 HydrophobicContact CG2-CG1 4.37Å; I53-I82 HydrophobicContact CG2-CD1 3.87Å; I53-I82 HydrophobicContact CG2-CG1 4.42Å; V57-I82 HydrophobicContact CG2-CG2 3.89Å; F80-I82 HydrophobicContact CD2-CD1 3.93Å; F80-I82 HydrophobicContact CD2-CG1 3.92Å; F80-I82 HydrophobicContact CE2-CD1 3.84Å; F80-I82 HydrophobicContact CE2-CG1 4.35Å; I82-V84 HydrophobicContact CG2-CG2 4.07Å
83	N	67	Low	57.8	Low	90 Å²	90	98.2 Å²	98.2	48%	0.481	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	116.5	169.4	-74.1	-26.6	0	0	0	109.3	V38	V38-N83 HydrophobicContact CB-CB 4.36Å; V38-N83 PolarHBondContact N-O 3.4Å; V38-N83 PolarHBondContact O-N 2.85Å
84	V	61.2	Low	57.6	Low	21 Å²	21	97.3 Å²	97.3	13%	0.127	54%	0.535	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	119.9	171	-176.3	0	0	0	0	107.3	V57 F61 V63 I82 N86	V57-V84 HydrophobicContact CG1-CG1 4.44Å; V57-V84 HydrophobicContact CG1-CG2 3.73Å; V57-V84 HydrophobicContact CG2-CG2 4.21Å; F61-V84 HydrophobicContact CD2-CG2 4.14Å; F61-V84 HydrophobicContact CE2-CG2 4Å; F61-V84 HydrophobicContact CZ-CG2 4.39Å; V63-V84 HydrophobicContact CG2-CG1 4.32Å; I82-V84 HydrophobicContact CG2-CG2 4.07Å; V84-N86 PolarHBondContact O-N 3.41Å
85	N	58.8	Low	58.1	Low	93 Å²	93	91.4 Å²	91.4	50%	0.497	51%	0.511	S	S	.	.			trans	-73.1	71.5	-177.4	-73.8	-8.5	0	0	0	112	K87	N85-K87 PolarHBondContact O-N 3.42Å
86	N	48.6	Very low	58.7	Low	86 Å²	86	87.2 Å²	87.2	46%	0.46	48%	0.482	S	S	.	.			trans	-75.1	119.1	176.1	-79.2	-29.1	0	0	0	110.5	V84	V84-N86 PolarHBondContact O-N 3.41Å
87	K	36.8	Very low	59.7	Low	163 Å²	163	89.1 Å²	89.1	71%	0.709	50%	0.495	S	S	*	.			trans	70.4	107.3	-163.9	-58.6	-175.9	174.1	-171.4	0	113.8	N85 N89	N85-K87 PolarHBondContact O-N 3.42Å; K87-N89 VanDerWaalsContact C-N 3.33Å; K87-N89 PolarHBondContact O-N 2.97Å; K87-N89 VanDerWaalsContact O-N 3.14Å
88	P	33.6	Very low	61.1	Low	83 Å²	83	80.1 Å²	80.1	54%	0.539	45%	0.448	S	S	.	.			trans	-62.9	104.2	134.5	30.3	-31.5	0	0	0	106.9	F90	P88-F90 HydrophobicContact CB-CD2 3.83Å; P88-F90 HydrophobicContact CB-CE2 3.66Å; P88-F90 HydrophobicContact CB-CZ 4.38Å; P88-F90 HydrophobicContact CG-CD2 4.05Å; P88-F90 HydrophobicContact CG-CE2 3.86Å; P88-F90 PolarHBondContact O-N 2.96Å
89	N	32.5	Very low	62.4	Low	97 Å²	97	78.6 Å²	78.6	52%	0.519	43%	0.426	S	S	.	.			trans	-77.4	80.7	174.1	-161.2	68.9	0	0	0	108	K87 D91	K87-N89 VanDerWaalsContact C-N 3.33Å; K87-N89 PolarHBondContact O-N 2.97Å; K87-N89 VanDerWaalsContact O-N 3.14Å; N89-D91 PolarHBondContact ND2-OD2 2.87Å; N89-D91 PolarHBondContact O-N 3.05Å
90	F	32.5	Very low	63.4	Low	187 Å²	187	79.6 Å²	79.6	82%	0.82	42%	0.416	S	S	*	.			trans	-69.6	46.9	170.7	-73.2	-74.1	0	0	0	111.6	P88	P88-F90 HydrophobicContact CB-CD2 3.83Å; P88-F90 HydrophobicContact CB-CE2 3.66Å; P88-F90 HydrophobicContact CB-CZ 4.38Å; P88-F90 HydrophobicContact CG-CD2 4.05Å; P88-F90 HydrophobicContact CG-CE2 3.86Å; P88-F90 PolarHBondContact O-N 2.96Å
91	D	41.7	Very low	64.2	Low	110 Å²	110	74.6 Å²	74.6	59%	0.588	39%	0.394	S	S	*	.			trans	-61.9	129.2	141.1	-77.2	-43.7	0	0	0	105.6	N89 T93	N89-D91 PolarHBondContact ND2-OD2 2.87Å; N89-D91 PolarHBondContact O-N 3.05Å; D91-T93 PolarHBondContact O-N 3.02Å
92	V	45.7	Very low	64.4	Low	141 Å²	141	70.3 Å²	70.3	86%	0.855	37%	0.373	S	S	*	.			trans	-73.1	87.3	171.5	179.3	0	0	0	0	105.7	E94	V92-E94 VanDerWaalsContact C-N 3.26Å; V92-E94 PolarHBondContact O-N 3.21Å
93	T	58.1	Low	64.6	Low	88 Å²	88	69 Å²	69	54%	0.54	37%	0.366	S	S	.	.			trans	-65.5	93.4	176.8	47.7	0	0	0	0	108.1	D91 T95	D91-T93 PolarHBondContact O-N 3.02Å; T93-T95 PolarHBondContact O-N 2.9Å; T93-T95 VanDerWaalsContact O-N 3.08Å
94	E	73.3	Confident	65.3	Low	40 Å²	40	64.7 Å²	64.7	19%	0.187	34%	0.344	C	S	.	.			trans	-52	110.8	179.8	177.2	-176.9	-109.7	0	0	109.9	V92 D112 N113 R157	V92-E94 VanDerWaalsContact C-N 3.26Å; V92-E94 PolarHBondContact O-N 3.21Å; E94-D112 PolarHBondContact OE1-N 2.86Å; E94-N113 PolarHBondContact OE1-N 2.93Å; E94-N113 VanDerWaalsContact OE1-N 3.09Å; E94-N113 PolarHBondContact OE1-ND2 2.72Å; E94-N113 WeakPolarHBondContact OE2-CA 3.27Å; E94-N113 WeakPolarHBondContact OE2-CB 3.44Å; E94-N113 PolarHBondContact OE2-N 3.28Å; E94-R157 WeakPolarHBondContact O-CG 3.31Å; E94-R157 WeakPolarHBondContact OE2-CD 3.3Å; E94-R157 IonicContact OE2-CZ 3.56Å; E94-R157 IonicContact OE2-NE 3.55Å; E94-R157 IonicContact OE2-NH1 3.86Å; E94-R157 PolarHBondContact OE2-NH1 3.44Å
95	T	84.7	Confident	66.5	Low	56 Å²	56	64.1 Å²	64.1	34%	0.344	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	150.4	175.7	46.9	0	0	0	0	110.5	T93 V155 K156	T93-T95 PolarHBondContact O-N 2.9Å; T93-T95 VanDerWaalsContact O-N 3.08Å; T95-V155 WeakPolarHBondContact CA-O 3.36Å; T95-K156 HydrophobicContact CG2-CG 3.79Å
96	G	88.6	Confident	68	Low	1 Å²	1	59.7 Å²	59.7	1%	0.01	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	160	157.4	0	0	0	0	0	110.2	R109 L111 E154 V155	G96-R109 CarbonylContact C-O 3.53Å; G96-R109 WeakPolarHBondContact CA-O 3.18Å; G96-L111 VanDerWaalsContact N-CD2 3.31Å; G96-E154 WeakPolarHBondContact O-CA 3.49Å; G96-V155 PolarHBondContact N-O 3.27Å; G96-V155 PolarHBondContact O-N 3.02Å
97	V	91.4	Very high	70	Confident	69 Å²	69	58.7 Å²	58.7	42%	0.418	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	126.1	167.1	-179.7	0	0	0	0	107.3	T99 A108 R109 D153	V97-T99 PolarHBondContact O-N 3.37Å; V97-A108 CarbonylContact O-C 3.55Å; V97-A108 WeakPolarHBondContact O-CA 3.37Å; V97-A108 WeakPolarHBondContact O-CB 3.3Å; V97-R109 PolarHBondContact N-O 3.09Å; V97-R109 PolarHBondContact O-N 3.34Å; V97-D153 WeakPolarHBondContact CA-O 3.31Å
98	V	91	Very high	72.6	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	131.5	175.4	179.6	0	0	0	0	109.5	Y100 I101 A106 F122 R150 E151 G152 D153 V155	V98-Y100 WeakPolarHBondContact CG1-O 3.33Å; V98-I101 HydrophobicContact CG1-CB 4.4Å; V98-A106 HydrophobicContact CG1-CB 4.27Å; V98-F122 HydrophobicContact CG2-CD1 3.98Å; V98-F122 HydrophobicContact CG2-CE1 3.76Å; V98-R150 VanDerWaalsContact CB-O 3.31Å; V98-R150 WeakPolarHBondContact CB-O 3.4Å; V98-R150 VanDerWaalsContact CG1-O 3.26Å; V98-R150 WeakPolarHBondContact CG1-O 3.37Å; V98-E151 WeakPolarHBondContact O-CG 2.93Å; V98-G152 PolarHBondContact O-N 3.5Å; V98-D153 HydrophobicContact CB-CB 4.47Å; V98-D153 HydrophobicContact CG2-CB 4.17Å; V98-D153 PolarHBondContact N-O 3.21Å; V98-V155 HydrophobicContact CG2-CB 4.44Å; V98-V155 HydrophobicContact CG2-CG1 4.33Å
99	T	88.4	Confident	75.3	Confident	30 Å²	30	54.7 Å²	54.7	18%	0.184	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	-1.9	-178.7	58.5	0	0	0	0	113.4	V97 R107 R109	V97-T99 PolarHBondContact O-N 3.37Å; T99-R107 PolarHBondContact N-O 3.11Å; T99-R107 PolarHBondContact OG1-O 3Å; T99-R109 HydrophobicContact CG2-CB 3.87Å
100	Y	86.1	Confident	77.9	Confident	66 Å²	66	51.2 Å²	51.2	26%	0.259	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	138.6	176.3	169.5	-91.3	0	0	0	108.2	V98 A106 R107	V98-Y100 WeakPolarHBondContact CG1-O 3.33Å; Y100-A106 CarbonylContact O-C 3.49Å; Y100-A106 VanDerWaalsContact O-CA 3.23Å; Y100-A106 WeakPolarHBondContact O-CA 3.41Å; Y100-R107 PolarHBondContact N-O 2.74Å; Y100-R107 PolarHBondContact O-N 2.76Å
101	I	86.4	Confident	80.6	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	129.6	173.3	174.2	65.8	0	0	0	109.9	V98 A106 I142 F146 I149 I610 E633	V98-I101 HydrophobicContact CG1-CB 4.4Å; I101-A106 HydrophobicContact CD1-CB 4.34Å; I101-I142 HydrophobicContact CD1-CD1 3.2Å; I101-F146 HydrophobicContact CD1-CB 4.36Å; I101-I149 HydrophobicContact CD1-CB 4.1Å; I101-I149 HydrophobicContact CD1-CG2 4Å; I101-I149 HydrophobicContact CG1-CB 4.14Å; I101-I149 HydrophobicContact CG1-CG2 4.08Å; I101-I610 HydrophobicContact CG1-CD1 4.35Å; I101-E633 HydrophobicContact CG2-CB 3.53Å; I101-E633 HydrophobicContact CG2-CG 4.19Å; I101-E633 WeakPolarHBondContact CG2-OE2 3.4Å; I101-E633 PolarHBondContact O-N 2.85Å
102	G	76.7	Confident	82.6	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.4	144.2	177.4	0	0	0	0	0	113.3	G104 I105	G102-G104 VanDerWaalsContact C-N 3.27Å; G102-G104 PolarHBondContact O-N 2.65Å; G102-I105 PolarHBondContact N-O 3.32Å; G102-I105 PolarHBondContact O-N 2.64Å
103	D	74.1	Confident	84.5	Confident	26 Å²	26	42.6 Å²	42.6	14%	0.139	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	37.7	171.8	-52.6	-32.9	0	0	0	114.8	I105 L343 R850	D103-I105 VanDerWaalsContact C-N 3.29Å; D103-I105 PolarHBondContact O-N 2.62Å; D103-L343 HydrophobicContact CB-CD1 3.79Å; D103-L343 HydrophobicContact CB-CD2 3.92Å; D103-L343 HydrophobicContact CB-CG 4.47Å; D103-R850 IonicContact OD1-CZ 3.22Å; D103-R850 IonicContact OD1-NE 3.77Å; D103-R850 IonicContact OD1-NH2 2.81Å; D103-R850 PolarHBondContact OD1-NH2 3.35Å; D103-R850 IonicContact OD2-CZ 2.76Å; D103-R850 VanDerWaalsContact OD2-CZ 3.3Å; D103-R850 IonicContact OD2-NE 2.86Å; D103-R850 PolarHBondContact OD2-NE 3.3Å; D103-R850 IonicContact OD2-NH2 3.74Å; D103-R850 PolarHBondContact OD2-NH2 2.92Å; D103-R850 VanDerWaalsContact OD2-NH2 3.16Å
104	G	80.6	Confident	85.8	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.01	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	14.5	-178.1	0	0	0	0	0	115.1	G102 I142	G102-G104 VanDerWaalsContact C-N 3.27Å; G102-G104 PolarHBondContact O-N 2.65Å; G104-I142 WeakPolarHBondContact O-CB 3.22Å; G104-I142 PolarHBondContact O-N 2.96Å
105	I	87	Confident	86.4	Confident	9 Å²	9	40.8 Å²	40.8	5%	0.046	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	138.3	173.5	-71.5	151.2	0	0	0	110.1	G102 D103 I140 L343 L344	G102-I105 PolarHBondContact N-O 3.32Å; G102-I105 PolarHBondContact O-N 2.64Å; D103-I105 VanDerWaalsContact C-N 3.29Å; D103-I105 PolarHBondContact O-N 2.62Å; I105-I140 WeakPolarHBondContact CA-O 3.31Å; I105-L343 HydrophobicContact CD1-CB 3.41Å; I105-L343 VanDerWaalsContact CD1-CB 3.41Å; I105-L343 HydrophobicContact CD1-CD1 4.17Å; I105-L343 HydrophobicContact CD1-CG 4.44Å; I105-L344 HydrophobicContact CD1-CD2 4.08Å; I105-L344 HydrophobicContact CD1-CG 3.8Å; I105-L344 HydrophobicContact CG1-CD2 4.28Å; I105-L344 HydrophobicContact CG1-CG 4.43Å; I105-L344 HydrophobicContact CG2-CD2 3.87Å
106	A	90.4	Very high	86.5	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	157.2	165	0	0	0	0	0	111.1	V98 Y100 I101 F122 I140 I142	V98-A106 HydrophobicContact CG1-CB 4.27Å; Y100-A106 CarbonylContact O-C 3.49Å; Y100-A106 VanDerWaalsContact O-CA 3.23Å; Y100-A106 WeakPolarHBondContact O-CA 3.41Å; I101-A106 HydrophobicContact CD1-CB 4.34Å; A106-F122 HydrophobicContact CB-CE1 3.91Å; A106-F122 HydrophobicContact CB-CZ 3.88Å; A106-I140 HydrophobicContact CB-CB 4.38Å; A106-I140 PolarHBondContact N-O 2.83Å; A106-I140 PolarHBondContact O-N 3.26Å; A106-I142 HydrophobicContact CB-CD1 4.09Å
107	R	90.7	Very high	86.3	Confident	65 Å²	65	42.9 Å²	42.9	25%	0.245	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	139	156.1	-67.1	174.1	165.7	-107.5	-10.1	108.3	T99 Y100 E134 D137 V138	T99-R107 PolarHBondContact N-O 3.11Å; T99-R107 PolarHBondContact OG1-O 3Å; Y100-R107 PolarHBondContact N-O 2.74Å; Y100-R107 PolarHBondContact O-N 2.76Å; R107-E134 IonicContact CZ-OE1 3.42Å; R107-E134 IonicContact CZ-OE2 3.91Å; R107-E134 VanDerWaalsContact NH1-CD 3.33Å; R107-E134 IonicContact NH1-OE1 2.74Å; R107-E134 PolarHBondContact NH1-OE1 3.38Å; R107-E134 IonicContact NH1-OE2 3.73Å; R107-E134 PolarHBondContact NH1-OE2 3.08Å; R107-E134 IonicContact NH2-OE1 2.61Å; R107-E134 PolarHBondContact NH2-OE1 3.23Å; R107-E134 IonicContact NH2-OE2 2.63Å; R107-E134 PolarHBondContact NH2-OE2 3.39Å; R107-D137 WeakPolarHBondContact CD-OD2 3.42Å; R107-D137 IonicContact CZ-OD2 3.15Å; R107-D137 IonicContact NE-OD2 2.71Å; R107-D137 IonicContact NH1-OD1 2.79Å; R107-D137 IonicContact NH1-OD2 3.8Å; R107-D137 PolarHBondContact NH1-OD2 3.38Å; R107-V138 VanDerWaalsContact CA-O 3.31Å; R107-V138 WeakPolarHBondContact CA-O 3.08Å
108	A	91.2	Very high	86.1	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	139.6	175.8	0	0	0	0	0	111.9	V97 L111 D137 V138 I140 V155	V97-A108 CarbonylContact O-C 3.55Å; V97-A108 WeakPolarHBondContact O-CA 3.37Å; V97-A108 WeakPolarHBondContact O-CB 3.3Å; A108-L111 HydrophobicContact CB-CD1 4.05Å; A108-D137 CarbonylContact O-C 3.59Å; A108-D137 VanDerWaalsContact O-CA 3.24Å; A108-D137 WeakPolarHBondContact O-CA 3.43Å; A108-V138 PolarHBondContact N-O 3.23Å; A108-V138 PolarHBondContact O-N 2.97Å; A108-I140 HydrophobicContact CB-CD1 3.77Å; A108-V155 HydrophobicContact CB-CG1 3.5Å; A108-V155 VanDerWaalsContact CB-CG1 3.5Å
109	R	90.6	Very high	86	Confident	162 Å²	162	40.7 Å²	40.7	61%	0.611	21%	0.213	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	143.7	175.1	-177.9	-179.6	-58.6	142.4	8.9	110.3	G96 V97 T99	G96-R109 CarbonylContact C-O 3.53Å; G96-R109 WeakPolarHBondContact CA-O 3.18Å; V97-R109 PolarHBondContact N-O 3.09Å; V97-R109 PolarHBondContact O-N 3.34Å; T99-R109 HydrophobicContact CG2-CB 3.87Å
110	G	87.6	Confident	86.1	Confident	24 Å²	24	39.3 Å²	39.3	25%	0.247	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	94	-150.6	-164.6	0	0	0	0	0	109.3	D112	G110-D112 WeakPolarHBondContact CA-OD1 3.36Å; G110-D112 PolarHBondContact O-N 3.45Å
111	L	87.7	Confident	86.3	Confident	3 Å²	3	40.3 Å²	40.3	2%	0.016	21%	0.211	C	C	.	.			trans	58.1	30.7	-173.9	-49.9	170.5	0	0	0	112.7	G96 A108 N113 A114 L120 V138 I140 V155 R157	G96-L111 VanDerWaalsContact N-CD2 3.31Å; A108-L111 HydrophobicContact CB-CD1 4.05Å; L111-N113 PolarHBondContact O-N 2.76Å; L111-A114 HydrophobicContact CB-CB 3.93Å; L111-A114 WeakPolarHBondContact O-CB 3.25Å; L111-A114 PolarHBondContact O-N 2.82Å; L111-L120 HydrophobicContact CD1-CD1 3.81Å; L111-L120 HydrophobicContact CD2-CD2 4.41Å; L111-V138 HydrophobicContact CB-CG2 3.92Å; L111-V138 HydrophobicContact CD1-CB 4.03Å; L111-V138 HydrophobicContact CD1-CG1 4.41Å; L111-V138 HydrophobicContact CD1-CG2 4.15Å; L111-I140 HydrophobicContact CD1-CD1 4.11Å; L111-V155 HydrophobicContact CD1-CG1 4.01Å; L111-V155 HydrophobicContact CD2-CG1 4.45Å; L111-R157 HydrophobicContact CD2-CG 3.56Å
112	D	84	Confident	86.6	Confident	139 Å²	139	40.5 Å²	40.5	74%	0.743	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-26.6	-169.5	-57.7	-4.6	0	0	0	114.4	E94 G110	E94-D112 PolarHBondContact OE1-N 2.86Å; G110-D112 WeakPolarHBondContact CA-OD1 3.36Å; G110-D112 PolarHBondContact O-N 3.45Å
113	N	85.9	Confident	87.1	Confident	115 Å²	115	43.4 Å²	43.4	62%	0.615	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.2	12.6	179.5	-63.8	-95.9	0	0	0	113.1	E94 L111 R157	E94-N113 PolarHBondContact OE1-N 2.93Å; E94-N113 VanDerWaalsContact OE1-N 3.09Å; E94-N113 PolarHBondContact OE1-ND2 2.72Å; E94-N113 WeakPolarHBondContact OE2-CA 3.27Å; E94-N113 WeakPolarHBondContact OE2-CB 3.44Å; E94-N113 PolarHBondContact OE2-N 3.28Å; L111-N113 PolarHBondContact O-N 2.76Å; N113-R157 VanDerWaalsContact C-CZ 3.42Å; N113-R157 VanDerWaalsContact CB-NH1 3.25Å; N113-R157 PolarHBondContact O-NH1 2.87Å; N113-R157 VanDerWaalsContact O-NH1 3.08Å; N113-R157 PolarHBondContact O-NH2 2.85Å
114	A	85.3	Confident	87.5	Confident	10 Å²	10	45 Å²	45	8%	0.083	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-66.9	140.5	178.9	0	0	0	0	0	113.1	L111 E118 L133	L111-A114 HydrophobicContact CB-CB 3.93Å; L111-A114 WeakPolarHBondContact O-CB 3.25Å; L111-A114 PolarHBondContact O-N 2.82Å; A114-E118 WeakPolarHBondContact CA-OE2 3.29Å; A114-L133 WeakPolarHBondContact O-CD1 3.47Å
115	M	86.6	Confident	87.7	Confident	80 Å²	80	47 Å²	47	39%	0.394	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-87.8	147.8	179.6	-56.3	175	-74.5	0	0	111.2	G117 E118	M115-G117 PolarHBondContact O-N 2.77Å; M115-E118 HydrophobicContact CB-CB 4.1Å; M115-E118 HydrophobicContact CE-CG 4.01Å; M115-E118 WeakPolarHBondContact CE-OE2 3.43Å; M115-E118 PolarHBondContact N-OE2 2.91Å; M115-E118 WeakPolarHBondContact O-CB 3.38Å; M115-E118 PolarHBondContact O-N 2.65Å
116	S	86	Confident	87.6	Confident	88 Å²	88	47.2 Å²	47.2	62%	0.615	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	123.4	166.5	-178.9	0	0	0	0	109.2
117	G	83.9	Confident	87.5	Confident	13 Å²	13	50 Å²	50	13%	0.134	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.8	6.5	-172.1	0	0	0	0	0	114.9	M115 A130 I161 M162	M115-G117 PolarHBondContact O-N 2.77Å; G117-A130 PolarHBondContact N-O 3.23Å; G117-I161 WeakPolarHBondContact O-CA 3.33Å; G117-M162 PolarHBondContact O-N 2.87Å; G117-M162 VanDerWaalsContact O-N 3.13Å
118	E	88.6	Confident	87.4	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	136.3	173.5	-157.5	175.8	140.1	0	0	111.1	A114 M115 M129 A130 R157 G159 K160	A114-E118 WeakPolarHBondContact CA-OE2 3.29Å; M115-E118 HydrophobicContact CB-CB 4.1Å; M115-E118 HydrophobicContact CE-CG 4.01Å; M115-E118 WeakPolarHBondContact CE-OE2 3.43Å; M115-E118 PolarHBondContact N-OE2 2.91Å; M115-E118 WeakPolarHBondContact O-CB 3.38Å; M115-E118 PolarHBondContact O-N 2.65Å; E118-M129 WeakPolarHBondContact O-CA 3.37Å; E118-A130 PolarHBondContact O-N 3.46Å; E118-R157 WeakPolarHBondContact OE1-CB 3.4Å; E118-R157 IonicContact OE1-CZ 3.23Å; E118-R157 IonicContact OE1-NE 3.2Å; E118-R157 PolarHBondContact OE1-NE 3.21Å; E118-R157 IonicContact OE1-NH2 3.8Å; E118-R157 PolarHBondContact OE1-NH2 3.02Å; E118-R157 IonicContact OE2-CZ 2.64Å; E118-R157 IonicContact OE2-NE 2.68Å; E118-R157 PolarHBondContact OE2-NE 2.89Å; E118-R157 IonicContact OE2-NH2 2.73Å; E118-R157 PolarHBondContact OE2-NH2 2.77Å; E118-G159 WeakPolarHBondContact OE1-CA 3.39Å; E118-G159 PolarHBondContact OE1-N 3.13Å; E118-G159 VanDerWaalsContact OE1-N 3.08Å; E118-K160 CarbonylContact C-O 3.57Å; E118-K160 WeakPolarHBondContact CA-O 3.39Å; E118-K160 WeakPolarHBondContact CG-O 3.4Å
119	L	88	Confident	87.3	Confident	23 Å²	23	47.2 Å²	47.2	12%	0.12	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	131.2	170.4	-167.2	73.6	0	0	0	108.9	F127 G128 L143 T158 K160 M162	L119-F127 HydrophobicContact CD1-CB 3.97Å; L119-F127 HydrophobicContact CD1-CD1 4.22Å; L119-F127 HydrophobicContact CD1-CG 4.3Å; L119-F127 HydrophobicContact CD2-CD1 3.8Å; L119-F127 HydrophobicContact CD2-CE1 4.1Å; L119-F127 HydrophobicContact CD2-CG 4.39Å; L119-F127 HydrophobicContact CG-CD1 3.85Å; L119-F127 HydrophobicContact CG-CG 4.42Å; L119-G128 CarbonylContact C-O 3.5Å; L119-G128 WeakPolarHBondContact CA-O 3.22Å; L119-L143 HydrophobicContact CD1-CD1 4.1Å; L119-T158 HydrophobicContact CB-CG2 4.3Å; L119-T158 HydrophobicContact CD2-CG2 4.33Å; L119-T158 HydrophobicContact CG-CG2 4.3Å; L119-T158 WeakPolarHBondContact O-CB 3.48Å; L119-T158 VanDerWaalsContact O-CG2 3.26Å; L119-T158 WeakPolarHBondContact O-CG2 3.11Å; L119-T158 PolarHBondContact O-N 2.97Å; L119-T158 PolarHBondContact O-OG1 3.08Å; L119-K160 PolarHBondContact N-O 3.33Å; L119-M162 HydrophobicContact CB-CB 4.38Å; L119-M162 HydrophobicContact CD1-CB 4.1Å; L119-M162 HydrophobicContact CD1-CG 3.99Å; L119-M162 HydrophobicContact CD1-SD 4.33Å
120	L	91	Very high	87.2	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	148.7	178.5	-58.1	179.8	0	0	0	109.3	L111 F127 G128 A130 I140 V155 K156 R157	L111-L120 HydrophobicContact CD1-CD1 3.81Å; L111-L120 HydrophobicContact CD2-CD2 4.41Å; L120-F127 CarbonylContact O-C 3.57Å; L120-F127 VanDerWaalsContact O-CA 3.3Å; L120-F127 WeakPolarHBondContact O-CA 3.34Å; L120-G128 PolarHBondContact N-O 3.44Å; L120-G128 PolarHBondContact O-N 2.85Å; L120-A130 HydrophobicContact CD1-CB 4.13Å; L120-I140 HydrophobicContact CD1-CB 4.5Å; L120-I140 HydrophobicContact CD1-CD1 3.52Å; L120-I140 HydrophobicContact CD1-CG1 3.67Å; L120-I140 HydrophobicContact CD1-CG2 4.04Å; L120-V155 HydrophobicContact CB-CG2 3.73Å; L120-V155 HydrophobicContact CD1-CG2 4.19Å; L120-V155 HydrophobicContact CG-CG2 4.5Å; L120-K156 CarbonylContact C-O 3.57Å; L120-K156 WeakPolarHBondContact CA-O 3.48Å; L120-R157 HydrophobicContact CD2-CB 4.43Å; L120-R157 HydrophobicContact CD2-CG 3.87Å
121	E	91.1	Very high	87.1	Confident	87 Å²	87	39.5 Å²	39.5	41%	0.407	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	119.1	-177.8	-173.7	177.8	175.1	0	0	109.1	F127 V155 K156 T158	E121-F127 HydrophobicContact CB-CD1 4.3Å; E121-F127 HydrophobicContact CB-CE1 4.13Å; E121-F127 HydrophobicContact CG-CE1 4.08Å; E121-V155 WeakPolarHBondContact O-CA 3.29Å; E121-K156 PolarHBondContact N-O 2.95Å; E121-K156 PolarHBondContact O-N 3.34Å; E121-T158 HydrophobicContact CB-CG2 4.36Å
122	F	91.3	Very high	86.9	Confident	4 Å²	4	40.6 Å²	40.6	2%	0.018	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	159.2	176.7	-68.6	-90.4	0	0	0	111	V98 A106 N124 G125 A126 I140 I142 I149 V155	V98-F122 HydrophobicContact CG2-CD1 3.98Å; V98-F122 HydrophobicContact CG2-CE1 3.76Å; A106-F122 HydrophobicContact CB-CE1 3.91Å; A106-F122 HydrophobicContact CB-CZ 3.88Å; F122-N124 WeakPolarHBondContact CB-OD1 3.48Å; F122-N124 PolarHBondContact O-N 3.45Å; F122-N124 VanDerWaalsContact O-N 3.1Å; F122-G125 PolarHBondContact O-N 3.45Å; F122-A126 HydrophobicContact CD2-CB 4.49Å; F122-A126 WeakPolarHBondContact CD2-O 3.41Å; F122-A126 PolarHBondContact N-O 2.84Å; F122-I140 HydrophobicContact CE2-CG2 4.05Å; F122-I140 HydrophobicContact CZ-CB 4.34Å; F122-I140 HydrophobicContact CZ-CD1 4.2Å; F122-I140 HydrophobicContact CZ-CG2 3.8Å; F122-I142 HydrophobicContact CE2-CG1 3.81Å; F122-I142 HydrophobicContact CZ-CD1 4.4Å; F122-I142 HydrophobicContact CZ-CG1 3.81Å; F122-I149 HydrophobicContact CB-CD1 4.26Å; F122-I149 HydrophobicContact CB-CG1 4.47Å; F122-I149 HydrophobicContact CD1-CD1 4.02Å; F122-I149 HydrophobicContact CD1-CG2 3.94Å; F122-I149 HydrophobicContact CD2-CD1 3.97Å; F122-I149 HydrophobicContact CE1-CD1 4.32Å; F122-I149 HydrophobicContact CE1-CG2 4.21Å; F122-I149 HydrophobicContact CE2-CD1 4.28Å; F122-I149 HydrophobicContact CG-CD1 3.83Å; F122-I149 HydrophobicContact CG-CG1 4.44Å; F122-I149 HydrophobicContact CZ-CD1 4.45Å; F122-V155 HydrophobicContact CD1-CB 4.02Å; F122-V155 HydrophobicContact CD1-CG2 4.14Å; F122-V155 HydrophobicContact CE1-CB 4.16Å; F122-V155 HydrophobicContact CE1-CG2 4.13Å; F122-V155 HydrophobicContact CG-CG2 4.41Å; F122-V155 HydrophobicContact CZ-CG2 4.39Å
123	S	87.1	Confident	87.1	Confident	63 Å²	63	38.3 Å²	38.3	44%	0.441	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-31	177.5	61.7	0	0	0	0	114.6	G125 D153 E154	S123-G125 VanDerWaalsContact C-N 3.31Å; S123-D153 WeakPolarHBondContact CB-OD1 3.35Å; S123-D153 PolarHBondContact OG-OD1 2.88Å; S123-D153 PolarHBondContact OG-OD2 2.86Å; S123-E154 PolarHBondContact N-O 2.71Å; S123-E154 VanDerWaalsContact N-O 3.08Å
124	N	83.3	Confident	87.1	Confident	59 Å²	59	36.4 Å²	36.4	32%	0.316	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-0.4	178.1	75.7	-22.4	0	0	0	114.2	F122 A126 D145 T148 I149	F122-N124 WeakPolarHBondContact CB-OD1 3.48Å; F122-N124 PolarHBondContact O-N 3.45Å; F122-N124 VanDerWaalsContact O-N 3.1Å; N124-A126 VanDerWaalsContact C-N 3.32Å; N124-A126 WeakPolarHBondContact OD1-CB 3.28Å; N124-A126 PolarHBondContact OD1-N 3.29Å; N124-D145 PolarHBondContact ND2-O 3.48Å; N124-T148 PolarHBondContact ND2-OG1 2.79Å; N124-I149 VanDerWaalsContact ND2-CG1 3.34Å; N124-I149 WeakPolarHBondContact ND2-CG1 3.4Å
125	G	84.4	Confident	86.9	Confident	44 Å²	44	41.4 Å²	41.4	45%	0.454	25%	0.246	S	C	.	.	S	Bend	trans	80.4	4.9	-176	0	0	0	0	0	115	F122 S123	F122-G125 PolarHBondContact O-N 3.45Å; S123-G125 VanDerWaalsContact C-N 3.31Å
126	A	85.9	Confident	86.8	Confident	12 Å²	12	43.1 Å²	43.1	10%	0.099	26%	0.257	C	S	.	.			trans	-70.7	145.5	167	0	0	0	0	0	110.1	F122 N124 I149	F122-A126 HydrophobicContact CD2-CB 4.49Å; F122-A126 WeakPolarHBondContact CD2-O 3.41Å; F122-A126 PolarHBondContact N-O 2.84Å; N124-A126 VanDerWaalsContact C-N 3.32Å; N124-A126 WeakPolarHBondContact OD1-CB 3.28Å; N124-A126 PolarHBondContact OD1-N 3.29Å; A126-I149 HydrophobicContact CB-CD1 4.21Å
127	F	87.9	Confident	86.8	Confident	58 Å²	58	40.2 Å²	40.2	25%	0.254	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	155.5	170.3	-69.6	-71.3	0	0	0	111.4	L119 L120 E121 L143 L178	L119-F127 HydrophobicContact CD1-CB 3.97Å; L119-F127 HydrophobicContact CD1-CD1 4.22Å; L119-F127 HydrophobicContact CD1-CG 4.3Å; L119-F127 HydrophobicContact CD2-CD1 3.8Å; L119-F127 HydrophobicContact CD2-CE1 4.1Å; L119-F127 HydrophobicContact CD2-CG 4.39Å; L119-F127 HydrophobicContact CG-CD1 3.85Å; L119-F127 HydrophobicContact CG-CG 4.42Å; L120-F127 CarbonylContact O-C 3.57Å; L120-F127 VanDerWaalsContact O-CA 3.3Å; L120-F127 WeakPolarHBondContact O-CA 3.34Å; E121-F127 HydrophobicContact CB-CD1 4.3Å; E121-F127 HydrophobicContact CB-CE1 4.13Å; E121-F127 HydrophobicContact CG-CE1 4.08Å; F127-L143 PolarHBondContact O-N 3.2Å; F127-L178 HydrophobicContact CD2-CD1 4.42Å
128	G	88.6	Confident	87.1	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	171.9	165.1	0	0	0	0	0	112.2	L119 L120 I141	L119-G128 CarbonylContact C-O 3.5Å; L119-G128 WeakPolarHBondContact CA-O 3.22Å; L120-G128 PolarHBondContact N-O 3.44Å; L120-G128 PolarHBondContact O-N 2.85Å; G128-I141 CarbonylContact C-O 3.57Å; G128-I141 WeakPolarHBondContact CA-O 3.27Å
129	M	88.1	Confident	87.2	Confident	7 Å²	7	39.9 Å²	39.9	3%	0.034	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	125.8	177.9	-174.5	179.6	65.4	0	0	110.3	E118 Q131 I140 I141 L143 Y303 I304	E118-M129 WeakPolarHBondContact O-CA 3.37Å; M129-Q131 PolarHBondContact O-N 3.01Å; M129-I140 WeakPolarHBondContact O-CA 3.33Å; M129-I141 HydrophobicContact CE-CD1 3.68Å; M129-I141 PolarHBondContact N-O 2.93Å; M129-I141 PolarHBondContact O-N 3.46Å; M129-L143 HydrophobicContact CB-CD1 4.14Å; M129-Y303 HydrophobicContact CE-CE1 4.06Å; M129-I304 HydrophobicContact CE-CD1 4.25Å; M129-I304 HydrophobicContact SD-CD1 4.18Å
130	A	89.8	Confident	87.3	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	118.2	173.7	0	0	0	0	0	110.3	G117 E118 L120 V138	G117-A130 PolarHBondContact N-O 3.23Å; E118-A130 PolarHBondContact O-N 3.46Å; L120-A130 HydrophobicContact CD1-CB 4.13Å; A130-V138 HydrophobicContact CB-CG1 3.72Å
131	Q	84.7	Confident	87.2	Confident	24 Å²	24	38.9 Å²	38.9	11%	0.112	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	-39.4	-176.4	-165.9	-168.4	17.5	0	0	113.8	M129 G139 I141	M129-Q131 PolarHBondContact O-N 3.01Å; Q131-G139 PolarHBondContact N-O 2.81Å; Q131-I141 HydrophobicContact CB-CD1 4.04Å; Q131-I141 HydrophobicContact CB-CG1 3.88Å; Q131-I141 HydrophobicContact CG-CD1 4.17Å; Q131-I141 HydrophobicContact CG-CG1 4.5Å
132	N	83.9	Confident	87.1	Confident	27 Å²	27	34.7 Å²	34.7	14%	0.144	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	123.7	171.2	-77.3	8.9	0	0	0	108.2	E134 V138 G139 R346	N132-E134 HydrophobicContact CB-CG 4.35Å; N132-E134 PolarHBondContact ND2-OE1 3Å; N132-V138 CarbonylContact O-C 3.59Å; N132-V138 WeakPolarHBondContact O-CA 3.17Å; N132-G139 PolarHBondContact N-O 2.64Å; N132-G139 PolarHBondContact O-N 3.06Å; N132-R346 PolarHBondContact OD1-NE 3.49Å; N132-R346 PolarHBondContact OD1-NH2 2.85Å
133	L	87.8	Confident	86.7	Confident	91 Å²	91	34.7 Å²	34.7	48%	0.476	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	92.1	166.4	-56.7	177.9	0	0	0	107.1	A114 V138	A114-L133 WeakPolarHBondContact O-CD1 3.47Å; L133-V138 HydrophobicContact CD2-CB 4.46Å; L133-V138 HydrophobicContact CD2-CG1 3.97Å; L133-V138 HydrophobicContact CD2-CG2 3.79Å
134	E	85.6	Confident	86.3	Confident	75 Å²	75	32.6 Å²	32.6	35%	0.35	19%	0.194	S	C	.	.			trans	-87.3	166.1	174.1	-64	175.6	-144.3	0	0	109	R107 N132 N136 D137	R107-E134 IonicContact CZ-OE1 3.42Å; R107-E134 IonicContact CZ-OE2 3.91Å; R107-E134 VanDerWaalsContact NH1-CD 3.33Å; R107-E134 IonicContact NH1-OE1 2.74Å; R107-E134 PolarHBondContact NH1-OE1 3.38Å; R107-E134 IonicContact NH1-OE2 3.73Å; R107-E134 PolarHBondContact NH1-OE2 3.08Å; R107-E134 IonicContact NH2-OE1 2.61Å; R107-E134 PolarHBondContact NH2-OE1 3.23Å; R107-E134 IonicContact NH2-OE2 2.63Å; R107-E134 PolarHBondContact NH2-OE2 3.39Å; N132-E134 HydrophobicContact CB-CG 4.35Å; N132-E134 PolarHBondContact ND2-OE1 3Å; E134-N136 PolarHBondContact O-N 3.4Å; E134-N136 VanDerWaalsContact O-N 3.16Å; E134-D137 CarbonylContact C-O 3.44Å; E134-D137 WeakPolarHBondContact CA-O 3.28Å; E134-D137 WeakPolarHBondContact CB-O 3.38Å; E134-D137 PolarHBondContact N-O 2.98Å
135	S	82.3	Confident	86.1	Confident	114 Å²	114	33 Å²	33	80%	0.797	20%	0.196	S	C	*	.	S	Bend	trans	-71.8	-12.7	-166	70.3	0	0	0	0	115.4
136	N	82.7	Confident	86.1	Confident	117 Å²	117	33 Å²	33	63%	0.626	18%	0.184	S	C	*	.	S	Bend	trans	-129.4	-7.9	-176.2	-54	-43.3	0	0	0	112.5	E134	E134-N136 PolarHBondContact O-N 3.4Å; E134-N136 VanDerWaalsContact O-N 3.16Å
137	D	87.5	Confident	85.7	Confident	26 Å²	26	33.7 Å²	33.7	14%	0.139	19%	0.188	C	C	.	.			trans	-164.2	147.3	-167.9	58.8	-53	0	0	0	112	R107 A108 E134	R107-D137 WeakPolarHBondContact CD-OD2 3.42Å; R107-D137 IonicContact CZ-OD2 3.15Å; R107-D137 IonicContact NE-OD2 2.71Å; R107-D137 IonicContact NH1-OD1 2.79Å; R107-D137 IonicContact NH1-OD2 3.8Å; R107-D137 PolarHBondContact NH1-OD2 3.38Å; A108-D137 CarbonylContact O-C 3.59Å; A108-D137 VanDerWaalsContact O-CA 3.24Å; A108-D137 WeakPolarHBondContact O-CA 3.43Å; E134-D137 CarbonylContact C-O 3.44Å; E134-D137 WeakPolarHBondContact CA-O 3.28Å; E134-D137 WeakPolarHBondContact CB-O 3.38Å; E134-D137 PolarHBondContact N-O 2.98Å
138	V	89.7	Confident	85.4	Confident	6 Å²	6	33.9 Å²	33.9	4%	0.036	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	125.3	174.5	177	0	0	0	0	109	R107 A108 L111 A130 N132 L133 I140	R107-V138 VanDerWaalsContact CA-O 3.31Å; R107-V138 WeakPolarHBondContact CA-O 3.08Å; A108-V138 PolarHBondContact N-O 3.23Å; A108-V138 PolarHBondContact O-N 2.97Å; L111-V138 HydrophobicContact CB-CG2 3.92Å; L111-V138 HydrophobicContact CD1-CB 4.03Å; L111-V138 HydrophobicContact CD1-CG1 4.41Å; L111-V138 HydrophobicContact CD1-CG2 4.15Å; A130-V138 HydrophobicContact CB-CG1 3.72Å; N132-V138 CarbonylContact O-C 3.59Å; N132-V138 WeakPolarHBondContact O-CA 3.17Å; L133-V138 HydrophobicContact CD2-CB 4.46Å; L133-V138 HydrophobicContact CD2-CG1 3.97Å; L133-V138 HydrophobicContact CD2-CG2 3.79Å; V138-I140 HydrophobicContact CB-CG1 4.44Å; V138-I140 HydrophobicContact CG1-CG1 3.86Å
139	G	89.8	Confident	85.3	Confident	1 Å²	1	33.9 Å²	33.9	1%	0.01	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	116.7	167.9	0	0	0	0	0	110.4	Q131 N132	Q131-G139 PolarHBondContact N-O 2.81Å; N132-G139 PolarHBondContact N-O 2.64Å; N132-G139 PolarHBondContact O-N 3.06Å
140	I	90.8	Very high	84.9	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	126.1	-171.2	-51.7	169.5	0	0	0	109	I105 A106 A108 L111 L120 F122 M129 V138 V155	I105-I140 WeakPolarHBondContact CA-O 3.31Å; A106-I140 HydrophobicContact CB-CB 4.38Å; A106-I140 PolarHBondContact N-O 2.83Å; A106-I140 PolarHBondContact O-N 3.26Å; A108-I140 HydrophobicContact CB-CD1 3.77Å; L111-I140 HydrophobicContact CD1-CD1 4.11Å; L120-I140 HydrophobicContact CD1-CB 4.5Å; L120-I140 HydrophobicContact CD1-CD1 3.52Å; L120-I140 HydrophobicContact CD1-CG1 3.67Å; L120-I140 HydrophobicContact CD1-CG2 4.04Å; F122-I140 HydrophobicContact CE2-CG2 4.05Å; F122-I140 HydrophobicContact CZ-CB 4.34Å; F122-I140 HydrophobicContact CZ-CD1 4.2Å; F122-I140 HydrophobicContact CZ-CG2 3.8Å; M129-I140 WeakPolarHBondContact O-CA 3.33Å; V138-I140 HydrophobicContact CB-CG1 4.44Å; V138-I140 HydrophobicContact CG1-CG1 3.86Å; I140-V155 HydrophobicContact CD1-CG1 4.2Å; I140-V155 HydrophobicContact CD1-CG2 4.13Å
141	I	88.9	Confident	84.6	Confident	1 Å²	1	36.4 Å²	36.4	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	129.7	168	-39.2	-180	0	0	0	108.6	G128 M129 Q131 P300 L340	G128-I141 CarbonylContact C-O 3.57Å; G128-I141 WeakPolarHBondContact CA-O 3.27Å; M129-I141 HydrophobicContact CE-CD1 3.68Å; M129-I141 PolarHBondContact N-O 2.93Å; M129-I141 PolarHBondContact O-N 3.46Å; Q131-I141 HydrophobicContact CB-CD1 4.04Å; Q131-I141 HydrophobicContact CB-CG1 3.88Å; Q131-I141 HydrophobicContact CG-CD1 4.17Å; Q131-I141 HydrophobicContact CG-CG1 4.5Å; I141-P300 HydrophobicContact CG2-CB 3.52Å; I141-P300 HydrophobicContact CG2-CG 3.45Å; I141-P300 VanDerWaalsContact CG2-CG 3.45Å; I141-L340 HydrophobicContact CG2-CD2 3.72Å
142	I	88.7	Confident	84.6	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	127.1	-179.8	-60.4	155.8	0	0	0	110.4	I101 G104 A106 F122 F146 I149 P300	I101-I142 HydrophobicContact CD1-CD1 3.2Å; G104-I142 WeakPolarHBondContact O-CB 3.22Å; G104-I142 PolarHBondContact O-N 2.96Å; A106-I142 HydrophobicContact CB-CD1 4.09Å; F122-I142 HydrophobicContact CE2-CG1 3.81Å; F122-I142 HydrophobicContact CZ-CD1 4.4Å; F122-I142 HydrophobicContact CZ-CG1 3.81Å; I142-F146 HydrophobicContact CB-CB 4.44Å; I142-F146 HydrophobicContact CD1-CB 3.92Å; I142-F146 HydrophobicContact CG2-CB 3.99Å; I142-I149 HydrophobicContact CD1-CD1 3.92Å; I142-I149 HydrophobicContact CG1-CD1 4.23Å; I142-I149 HydrophobicContact CG2-CD1 3.91Å; I142-P300 WeakPolarHBondContact O-CB 3.05Å; I142-P300 WeakPolarHBondContact O-CG 3.38Å
143	L	82.9	Confident	84.9	Confident	3 Å²	3	38 Å²	38	2%	0.016	23%	0.226	C	C	.	.			trans	-104.2	41.7	-172.9	-60.3	168.3	0	0	0	111.5	L119 F127 M129 M162 L178 P300 L301 I304	L119-L143 HydrophobicContact CD1-CD1 4.1Å; F127-L143 PolarHBondContact O-N 3.2Å; M129-L143 HydrophobicContact CB-CD1 4.14Å; L143-M162 HydrophobicContact CD1-CE 3.96Å; L143-M162 HydrophobicContact CD1-SD 3.46Å; L143-M162 WeakPolarHBondContact CD1-SD 3.33Å; L143-L178 HydrophobicContact CB-CD2 4.19Å; L143-L178 HydrophobicContact CD1-CD2 4.43Å; L143-P300 HydrophobicContact CD2-CB 4.06Å; L143-L301 HydrophobicContact CB-CD2 4.23Å; L143-L301 HydrophobicContact CD2-CD2 4.4Å; L143-I304 HydrophobicContact CD2-CD1 4.35Å; L143-I304 HydrophobicContact CD2-CG2 4.31Å
144	G	79	Confident	85	Confident	20 Å²	20	38.1 Å²	38.1	21%	0.206	22%	0.224	C	C	.	.	S	Bend	trans	-178.3	-159.2	-173.6	0	0	0	0	0	113.1	F146	G144-F146 PolarHBondContact O-N 2.97Å
145	D	78	Confident	85.2	Confident	68 Å²	68	34.6 Å²	34.6	36%	0.364	21%	0.207	S	C	.	.			trans	-73	113.9	176.8	-158.2	-34.1	0	0	0	110.2	N124 S147 K701	N124-D145 PolarHBondContact ND2-O 3.48Å; D145-S147 WeakPolarHBondContact OD1-CB 3.46Å; D145-S147 PolarHBondContact OD1-N 3.49Å; D145-S147 VanDerWaalsContact OD1-N 3.1Å; D145-S147 PolarHBondContact OD1-OG 2.87Å; D145-K701 IonicContact OD2-NZ 3.59Å; D145-K701 PolarHBondContact OD2-NZ 3.31Å
146	F	85.6	Confident	85.7	Confident	42 Å²	42	32.6 Å²	32.6	18%	0.184	19%	0.185	C	C	.	.			trans	-96.8	-4.9	-178.4	64.7	-95.9	0	0	0	113.2	I101 I142 G144 T148 I149 P298 I610	I101-F146 HydrophobicContact CD1-CB 4.36Å; I142-F146 HydrophobicContact CB-CB 4.44Å; I142-F146 HydrophobicContact CD1-CB 3.92Å; I142-F146 HydrophobicContact CG2-CB 3.99Å; G144-F146 PolarHBondContact O-N 2.97Å; F146-T148 PolarHBondContact O-N 3.49Å; F146-I149 HydrophobicContact CB-CD1 4.43Å; F146-I149 PolarHBondContact O-N 2.99Å; F146-P298 HydrophobicContact CD1-CG 4.23Å; F146-P298 HydrophobicContact CE1-CB 4.49Å; F146-P298 HydrophobicContact CE1-CG 4.09Å; F146-I610 HydrophobicContact CD2-CD1 4.09Å; F146-I610 HydrophobicContact CE2-CD1 4.41Å
147	S	77.3	Confident	86	Confident	27 Å²	27	29.4 Å²	29.4	19%	0.189	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-25.4	-175.1	61.4	0	0	0	0	113.9	D145 R150 I610	D145-S147 WeakPolarHBondContact OD1-CB 3.46Å; D145-S147 PolarHBondContact OD1-N 3.49Å; D145-S147 VanDerWaalsContact OD1-N 3.1Å; D145-S147 PolarHBondContact OD1-OG 2.87Å; S147-R150 PolarHBondContact O-NH1 2.83Å; S147-I610 PolarHBondContact O-N 3.34Å
148	T	82.4	Confident	85.9	Confident	62 Å²	62	30.3 Å²	30.3	38%	0.38	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-3.9	-176.8	50.3	0	0	0	0	114	N124 F146 R150	N124-T148 PolarHBondContact ND2-OG1 2.79Å; F146-T148 PolarHBondContact O-N 3.49Å; T148-R150 VanDerWaalsContact C-NH1 3.34Å
149	I	86	Confident	85.6	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.191	C	C	.	.			trans	-79.8	144	174.1	-59.4	173.8	0	0	0	109	I101 F122 N124 A126 I142 F146	I101-I149 HydrophobicContact CD1-CB 4.1Å; I101-I149 HydrophobicContact CD1-CG2 4Å; I101-I149 HydrophobicContact CG1-CB 4.14Å; I101-I149 HydrophobicContact CG1-CG2 4.08Å; F122-I149 HydrophobicContact CB-CD1 4.26Å; F122-I149 HydrophobicContact CB-CG1 4.47Å; F122-I149 HydrophobicContact CD1-CD1 4.02Å; F122-I149 HydrophobicContact CD1-CG2 3.94Å; F122-I149 HydrophobicContact CD2-CD1 3.97Å; F122-I149 HydrophobicContact CE1-CD1 4.32Å; F122-I149 HydrophobicContact CE1-CG2 4.21Å; F122-I149 HydrophobicContact CE2-CD1 4.28Å; F122-I149 HydrophobicContact CG-CD1 3.83Å; F122-I149 HydrophobicContact CG-CG1 4.44Å; F122-I149 HydrophobicContact CZ-CD1 4.45Å; N124-I149 VanDerWaalsContact ND2-CG1 3.34Å; N124-I149 WeakPolarHBondContact ND2-CG1 3.4Å; A126-I149 HydrophobicContact CB-CD1 4.21Å; I142-I149 HydrophobicContact CD1-CD1 3.92Å; I142-I149 HydrophobicContact CG1-CD1 4.23Å; I142-I149 HydrophobicContact CG2-CD1 3.91Å; F146-I149 HydrophobicContact CB-CD1 4.43Å; F146-I149 PolarHBondContact O-N 2.99Å
150	R	79.8	Confident	85.1	Confident	22 Å²	22	37.1 Å²	37.1	8%	0.083	21%	0.212	C	C	.	.			trans	-123.8	168.7	175.9	-63	-60.3	177.7	-82.9	-19.8	113.2	V98 S147 T148 D153 L607 P608 E609 E633	V98-R150 VanDerWaalsContact CB-O 3.31Å; V98-R150 WeakPolarHBondContact CB-O 3.4Å; V98-R150 VanDerWaalsContact CG1-O 3.26Å; V98-R150 WeakPolarHBondContact CG1-O 3.37Å; S147-R150 PolarHBondContact O-NH1 2.83Å; T148-R150 VanDerWaalsContact C-NH1 3.34Å; R150-D153 PolarHBondContact N-OD2 2.98Å; R150-D153 WeakPolarHBondContact O-CB 3.36Å; R150-L607 PolarHBondContact NE-O 3.11Å; R150-L607 PolarHBondContact NH2-O 2.74Å; R150-P608 PolarHBondContact NE-O 2.7Å; R150-P608 PolarHBondContact NH2-O 2.87Å; R150-E609 IonicContact CZ-OE2 3.76Å; R150-E609 IonicContact NH1-OE2 3.35Å; R150-E609 VanDerWaalsContact NH2-CA 3.25Å; R150-E609 IonicContact NH2-OE1 2.82Å; R150-E609 PolarHBondContact NH2-OE1 3.31Å; R150-E609 IonicContact NH2-OE2 3.9Å; R150-E609 PolarHBondContact NH2-OE2 2.72Å; R150-E633 WeakPolarHBondContact CA-OE2 3.46Å; R150-E633 WeakPolarHBondContact CD-OE2 3.23Å
151	E	84.2	Confident	84.7	Confident	39 Å²	39	40.7 Å²	40.7	18%	0.182	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	150.3	154.8	-160.3	-158.5	168.5	0	0	110.3	V98 D153 E633 G635 D636 G637	V98-E151 WeakPolarHBondContact O-CG 2.93Å; E151-D153 PolarHBondContact O-N 2.83Å; E151-E633 HydrophobicContact CB-CG 4.13Å; E151-E633 WeakPolarHBondContact CB-OE1 3.49Å; E151-E633 VanDerWaalsContact N-CD 3.29Å; E151-E633 PolarHBondContact N-OE1 3.27Å; E151-G635 WeakPolarHBondContact OE1-CA 3.25Å; E151-G635 WeakPolarHBondContact OE2-CA 3.49Å; E151-G635 PolarHBondContact OE2-N 3.35Å; E151-D636 PolarHBondContact OE1-N 2.98Å; E151-D636 PolarHBondContact OE2-N 3.05Å; E151-G637 PolarHBondContact OE2-N 3.29Å; E151-G637 VanDerWaalsContact OE2-N 3.14Å
152	G	84.1	Confident	84.5	Confident	50 Å²	50	40.7 Å²	40.7	52%	0.515	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	-14.4	-177.3	0	0	0	0	0	114.3	V98	V98-G152 PolarHBondContact O-N 3.5Å
153	D	89.2	Confident	84.5	Confident	35 Å²	35	43.6 Å²	43.6	19%	0.187	24%	0.244	C	C	.	.			trans	-59.9	140.9	174.6	-92.5	-41.1	0	0	0	112.1	V97 V98 S123 R150 E151 V155	V97-D153 WeakPolarHBondContact CA-O 3.31Å; V98-D153 HydrophobicContact CB-CB 4.47Å; V98-D153 HydrophobicContact CG2-CB 4.17Å; V98-D153 PolarHBondContact N-O 3.21Å; S123-D153 WeakPolarHBondContact CB-OD1 3.35Å; S123-D153 PolarHBondContact OG-OD1 2.88Å; S123-D153 PolarHBondContact OG-OD2 2.86Å; R150-D153 PolarHBondContact N-OD2 2.98Å; R150-D153 WeakPolarHBondContact O-CB 3.36Å; E151-D153 PolarHBondContact O-N 2.83Å; D153-V155 PolarHBondContact O-N 2.89Å
154	E	90.2	Very high	84.9	Confident	93 Å²	93	43.5 Å²	43.5	44%	0.435	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	125	167.6	-68.5	-170.8	156.2	0	0	109.9	G96 S123 K156	G96-E154 WeakPolarHBondContact O-CA 3.49Å; S123-E154 PolarHBondContact N-O 2.71Å; S123-E154 VanDerWaalsContact N-O 3.08Å; E154-K156 WeakPolarHBondContact OE2-CE 3.37Å; E154-K156 IonicContact OE2-NZ 3.76Å; E154-K156 PolarHBondContact OE2-NZ 2.97Å
155	V	91.1	Very high	85.6	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	131.8	162.8	57.1	0	0	0	0	109.1	T95 G96 V98 A108 L111 L120 E121 F122 I140 D153	T95-V155 WeakPolarHBondContact CA-O 3.36Å; G96-V155 PolarHBondContact N-O 3.27Å; G96-V155 PolarHBondContact O-N 3.02Å; V98-V155 HydrophobicContact CG2-CB 4.44Å; V98-V155 HydrophobicContact CG2-CG1 4.33Å; A108-V155 HydrophobicContact CB-CG1 3.5Å; A108-V155 VanDerWaalsContact CB-CG1 3.5Å; L111-V155 HydrophobicContact CD1-CG1 4.01Å; L111-V155 HydrophobicContact CD2-CG1 4.45Å; L120-V155 HydrophobicContact CB-CG2 3.73Å; L120-V155 HydrophobicContact CD1-CG2 4.19Å; L120-V155 HydrophobicContact CG-CG2 4.5Å; E121-V155 WeakPolarHBondContact O-CA 3.29Å; F122-V155 HydrophobicContact CD1-CB 4.02Å; F122-V155 HydrophobicContact CD1-CG2 4.14Å; F122-V155 HydrophobicContact CE1-CB 4.16Å; F122-V155 HydrophobicContact CE1-CG2 4.13Å; F122-V155 HydrophobicContact CG-CG2 4.41Å; F122-V155 HydrophobicContact CZ-CG2 4.39Å; I140-V155 HydrophobicContact CD1-CG1 4.2Å; I140-V155 HydrophobicContact CD1-CG2 4.13Å; D153-V155 PolarHBondContact O-N 2.89Å
156	K	91.4	Very high	86.5	Confident	73 Å²	73	40.7 Å²	40.7	32%	0.317	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	138.6	-172.4	-79.2	156.8	-176.8	145.9	0	111	T95 L120 E121 E154	T95-K156 HydrophobicContact CG2-CG 3.79Å; L120-K156 CarbonylContact C-O 3.57Å; L120-K156 WeakPolarHBondContact CA-O 3.48Å; E121-K156 PolarHBondContact N-O 2.95Å; E121-K156 PolarHBondContact O-N 3.34Å; E154-K156 WeakPolarHBondContact OE2-CE 3.37Å; E154-K156 IonicContact OE2-NZ 3.76Å; E154-K156 PolarHBondContact OE2-NZ 2.97Å
157	R	90.5	Very high	86.8	Confident	50 Å²	50	39.4 Å²	39.4	19%	0.189	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	127	169.7	-72.1	-171.1	61	-158.8	1.2	110.9	E94 L111 N113 E118 L120 G159	E94-R157 WeakPolarHBondContact O-CG 3.31Å; E94-R157 WeakPolarHBondContact OE2-CD 3.3Å; E94-R157 IonicContact OE2-CZ 3.56Å; E94-R157 IonicContact OE2-NE 3.55Å; E94-R157 IonicContact OE2-NH1 3.86Å; E94-R157 PolarHBondContact OE2-NH1 3.44Å; L111-R157 HydrophobicContact CD2-CG 3.56Å; N113-R157 VanDerWaalsContact C-CZ 3.42Å; N113-R157 VanDerWaalsContact CB-NH1 3.25Å; N113-R157 PolarHBondContact O-NH1 2.87Å; N113-R157 VanDerWaalsContact O-NH1 3.08Å; N113-R157 PolarHBondContact O-NH2 2.85Å; E118-R157 WeakPolarHBondContact OE1-CB 3.4Å; E118-R157 IonicContact OE1-CZ 3.23Å; E118-R157 IonicContact OE1-NE 3.2Å; E118-R157 PolarHBondContact OE1-NE 3.21Å; E118-R157 IonicContact OE1-NH2 3.8Å; E118-R157 PolarHBondContact OE1-NH2 3.02Å; E118-R157 IonicContact OE2-CZ 2.64Å; E118-R157 IonicContact OE2-NE 2.68Å; E118-R157 PolarHBondContact OE2-NE 2.89Å; E118-R157 IonicContact OE2-NH2 2.73Å; E118-R157 PolarHBondContact OE2-NH2 2.77Å; L120-R157 HydrophobicContact CD2-CB 4.43Å; L120-R157 HydrophobicContact CD2-CG 3.87Å; R157-G159 VanDerWaalsContact C-N 3.27Å
158	T	84.5	Confident	87.6	Confident	44 Å²	44	44.1 Å²	44.1	27%	0.27	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	-15.1	169.3	68.7	0	0	0	0	112.1	L119 E121 K160	L119-T158 HydrophobicContact CB-CG2 4.3Å; L119-T158 HydrophobicContact CD2-CG2 4.33Å; L119-T158 HydrophobicContact CG-CG2 4.3Å; L119-T158 WeakPolarHBondContact O-CB 3.48Å; L119-T158 VanDerWaalsContact O-CG2 3.26Å; L119-T158 WeakPolarHBondContact O-CG2 3.11Å; L119-T158 PolarHBondContact O-N 2.97Å; L119-T158 PolarHBondContact O-OG1 3.08Å; E121-T158 HydrophobicContact CB-CG2 4.36Å; T158-K160 PolarHBondContact O-N 3.29Å; T158-K160 PolarHBondContact OG1-N 3.38Å; T158-K160 PolarHBondContact OG1-O 2.77Å
159	G	82.6	Confident	88.1	Confident	47 Å²	47	43 Å²	43	49%	0.485	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	70.8	4.3	-172	0	0	0	0	0	113.9	E118 R157	E118-G159 WeakPolarHBondContact OE1-CA 3.39Å; E118-G159 PolarHBondContact OE1-N 3.13Å; E118-G159 VanDerWaalsContact OE1-N 3.08Å; R157-G159 VanDerWaalsContact C-N 3.27Å
160	K	79.8	Confident	88.5	Confident	103 Å²	103	43 Å²	43	45%	0.448	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	142.2	-177.6	-65	-177.4	163.5	-151.9	0	111.5	E118 L119 T158 E163	E118-K160 CarbonylContact C-O 3.57Å; E118-K160 WeakPolarHBondContact CA-O 3.39Å; E118-K160 WeakPolarHBondContact CG-O 3.4Å; L119-K160 PolarHBondContact N-O 3.33Å; T158-K160 PolarHBondContact O-N 3.29Å; T158-K160 PolarHBondContact OG1-N 3.38Å; T158-K160 PolarHBondContact OG1-O 2.77Å; K160-E163 IonicContact NZ-OE2 3.3Å; K160-E163 PolarHBondContact NZ-OE2 2.92Å
161	I	83.7	Confident	89.2	Confident	76 Å²	76	43.9 Å²	43.9	39%	0.39	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	147.8	157.8	-64.2	172.2	0	0	0	107.8	G117 E163 P195	G117-I161 WeakPolarHBondContact O-CA 3.33Å; I161-E163 PolarHBondContact O-N 3.14Å; I161-E163 VanDerWaalsContact O-N 3.15Å; I161-P195 HydrophobicContact CG2-CB 4.33Å
162	M	83.8	Confident	89.7	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.005	25%	0.246	C	C	.	.			trans	-53.6	122.7	178.7	176.8	171.6	176.3	0	0	112.1	G117 L119 L143 L178 P195 V196 I304	G117-M162 PolarHBondContact O-N 2.87Å; G117-M162 VanDerWaalsContact O-N 3.13Å; L119-M162 HydrophobicContact CB-CB 4.38Å; L119-M162 HydrophobicContact CD1-CB 4.1Å; L119-M162 HydrophobicContact CD1-CG 3.99Å; L119-M162 HydrophobicContact CD1-SD 4.33Å; L143-M162 HydrophobicContact CD1-CE 3.96Å; L143-M162 HydrophobicContact CD1-SD 3.46Å; L143-M162 WeakPolarHBondContact CD1-SD 3.33Å; M162-L178 HydrophobicContact CE-CD2 3.5Å; M162-P195 CarbonylContact O-C 3.53Å; M162-P195 VanDerWaalsContact O-CA 3.28Å; M162-P195 WeakPolarHBondContact O-CA 2.93Å; M162-V196 HydrophobicContact CB-CG2 3.86Å; M162-V196 HydrophobicContact CE-CG1 4.16Å; M162-V196 HydrophobicContact CG-CG1 4.06Å; M162-V196 HydrophobicContact CG-CG2 3.7Å; M162-V196 PolarHBondContact O-N 3.47Å; M162-V196 HydrophobicContact SD-CG2 3.96Å; M162-I304 HydrophobicContact CE-CD1 3.9Å; M162-I304 HydrophobicContact CE-CG1 4.23Å; M162-I304 HydrophobicContact CE-CG2 4.23Å; M162-I304 HydrophobicContact SD-CD1 3.34Å; M162-I304 WeakPolarHBondContact SD-CD1 3.27Å; M162-I304 HydrophobicContact SD-CG1 4.24Å
163	E	88.6	Confident	90.3	Very high	61 Å²	61	41.9 Å²	41.9	29%	0.285	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	149.8	179.6	-78.6	170.3	176.9	0	0	110.4	K160 I161 T193 R194 P195	K160-E163 IonicContact NZ-OE2 3.3Å; K160-E163 PolarHBondContact NZ-OE2 2.92Å; I161-E163 PolarHBondContact O-N 3.14Å; I161-E163 VanDerWaalsContact O-N 3.15Å; E163-T193 PolarHBondContact OE2-OG1 3.4Å; E163-R194 CarbonylContact C-O 3.49Å; E163-R194 VanDerWaalsContact CA-O 3.25Å; E163-R194 WeakPolarHBondContact CA-O 3.45Å; E163-P195 HydrophobicContact CG-CG 4.33Å
164	V	92	Very high	90.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	150.8	167.6	-74.5	0	0	0	0	111.1	P177 T193 R194 V196 A308 A311 M312	V164-P177 WeakPolarHBondContact CG1-O 3.38Å; V164-T193 CarbonylContact O-C 3.27Å; V164-T193 WeakPolarHBondContact O-CA 3.19Å; V164-R194 PolarHBondContact N-O 3.17Å; V164-R194 PolarHBondContact O-N 2.75Å; V164-V196 HydrophobicContact CB-CG1 4.29Å; V164-V196 HydrophobicContact CG1-CG1 3.55Å; V164-V196 HydrophobicContact CG2-CG1 3.98Å; V164-A308 HydrophobicContact CG1-CB 4.01Å; V164-A311 HydrophobicContact CG2-CB 3.8Å; V164-M312 HydrophobicContact CB-CE 4.22Å; V164-M312 HydrophobicContact CG2-CE 4.42Å; V164-M312 HydrophobicContact CG2-CG 4.49Å
165	P	93.7	Very high	90.9	Very high	30 Å²	30	35.9 Å²	35.9	20%	0.195	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	144.5	169.4	27.3	-34.6	0	0	0	111.1	L170 L178 T190 A192	P165-L170 WeakPolarHBondContact O-CD1 3.38Å; P165-L178 VanDerWaalsContact CD-O 3.3Å; P165-L178 WeakPolarHBondContact CD-O 3.19Å; P165-T190 HydrophobicContact CB-CG2 3.55Å; P165-A192 WeakPolarHBondContact CA-O 3.36Å
166	V	95.2	Very high	91	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.203	C	C	.	.			trans	-136.9	170.3	179.1	-59.4	0	0	0	0	112.5	L170 T190 A192 R194 M312 E315	V166-L170 VanDerWaalsContact CA-CD1 3.42Å; V166-T190 WeakPolarHBondContact O-CB 3.38Å; V166-T190 PolarHBondContact O-OG1 2.89Å; V166-A192 HydrophobicContact CG2-CB 3.77Å; V166-A192 PolarHBondContact N-O 3.12Å; V166-R194 HydrophobicContact CG1-CB 4Å; V166-R194 HydrophobicContact CG1-CG 3.91Å; V166-R194 HydrophobicContact CG2-CG 3.96Å; V166-M312 HydrophobicContact CG1-CG 4.41Å; V166-E315 HydrophobicContact CB-CB 3.87Å; V166-E315 HydrophobicContact CB-CG 3.99Å; V166-E315 HydrophobicContact CG1-CB 4.38Å; V166-E315 HydrophobicContact CG2-CB 4Å; V166-E315 HydrophobicContact CG2-CG 3.68Å
167	G	92.6	Very high	91	Very high	14 Å²	14	33.4 Å²	33.4	14%	0.144	19%	0.188	C	C	.	.	S	Bend	trans	105.3	-179.3	175.8	0	0	0	0	0	114.2	A169 L170	G167-A169 PolarHBondContact O-N 3.21Å; G167-A169 VanDerWaalsContact O-N 3.11Å; G167-L170 PolarHBondContact O-N 2.95Å
168	E	93.5	Very high	91	Very high	126 Å²	126	32.4 Å²	32.4	59%	0.589	19%	0.186	S	C	*	.	G	3₁₀ helix	trans	-63.7	-20.8	-169.1	-62.7	-176.9	159	0	0	114.3	L170 I171 F316 K321	E168-L170 PolarHBondContact O-N 3.33Å; E168-L170 VanDerWaalsContact O-N 3.15Å; E168-I171 HydrophobicContact CB-CD1 4.09Å; E168-I171 HydrophobicContact CG-CD1 4.21Å; E168-I171 WeakPolarHBondContact O-CB 3.31Å; E168-I171 WeakPolarHBondContact O-CG1 3.45Å; E168-I171 PolarHBondContact O-N 2.95Å; E168-F316 HydrophobicContact CG-CE1 4.08Å; E168-K321 IonicContact OE1-NZ 2.68Å; E168-K321 PolarHBondContact OE1-NZ 3.42Å
169	A	93.6	Very high	91.3	Very high	40 Å²	40	30.4 Å²	30.4	33%	0.331	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-65.8	-12.7	178.2	0	0	0	0	0	114.8	G167 I188	G167-A169 PolarHBondContact O-N 3.21Å; G167-A169 VanDerWaalsContact O-N 3.11Å; A169-I188 HydrophobicContact CB-CG2 4.03Å
170	L	94.9	Very high	91.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-86.7	-14.8	173.1	-74	129.8	0	0	0	113.3	P165 V166 G167 E168 G172 R173 V175 I188 I289 M312	P165-L170 WeakPolarHBondContact O-CD1 3.38Å; V166-L170 VanDerWaalsContact CA-CD1 3.42Å; G167-L170 PolarHBondContact O-N 2.95Å; E168-L170 PolarHBondContact O-N 3.33Å; E168-L170 VanDerWaalsContact O-N 3.15Å; L170-G172 PolarHBondContact O-N 3.45Å; L170-R173 VanDerWaalsContact O-CB 3.28Å; L170-R173 WeakPolarHBondContact O-CB 3.47Å; L170-R173 WeakPolarHBondContact O-CG 3.32Å; L170-R173 PolarHBondContact O-N 3.21Å; L170-R173 VanDerWaalsContact O-N 3.12Å; L170-V175 HydrophobicContact CD2-CG1 3.9Å; L170-V175 HydrophobicContact CD2-CG2 4.32Å; L170-I188 HydrophobicContact CD2-CD1 3.85Å; L170-I188 HydrophobicContact CG-CD1 4.25Å; L170-I188 HydrophobicContact CG-CG2 4.15Å; L170-I289 HydrophobicContact CB-CD1 3.72Å; L170-I289 HydrophobicContact CB-CG1 4.12Å; L170-I289 HydrophobicContact CB-CG2 4.19Å; L170-M312 HydrophobicContact CD2-CE 4.1Å; L170-M312 HydrophobicContact CD2-SD 4.19Å
171	I	95.3	Very high	92.3	Very high	40 Å²	40	29.7 Å²	29.7	21%	0.205	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	132.2	-178	-60.4	171.6	0	0	0	109	E168 R173 I259 D286 I289 F316	E168-I171 HydrophobicContact CB-CD1 4.09Å; E168-I171 HydrophobicContact CG-CD1 4.21Å; E168-I171 WeakPolarHBondContact O-CB 3.31Å; E168-I171 WeakPolarHBondContact O-CG1 3.45Å; E168-I171 PolarHBondContact O-N 2.95Å; I171-R173 VanDerWaalsContact C-N 3.3Å; I171-I259 HydrophobicContact CD1-CD1 3.87Å; I171-D286 WeakPolarHBondContact CG2-O 3.02Å; I171-I289 HydrophobicContact CG1-CG1 4.32Å; I171-F316 HydrophobicContact CD1-CE1 4.15Å; I171-F316 HydrophobicContact CD1-CZ 4.19Å; I171-F316 HydrophobicContact CG1-CZ 4.22Å
172	G	94.2	Very high	92.7	Very high	17 Å²	17	28.3 Å²	28.3	18%	0.175	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	5.2	-174.3	0	0	0	0	0	115.2	L170 L285 T288	L170-G172 PolarHBondContact O-N 3.45Å; G172-L285 WeakPolarHBondContact CA-O 3.48Å; G172-L285 PolarHBondContact N-O 3.26Å; G172-T288 WeakPolarHBondContact CA-O 2.88Å; G172-T288 PolarHBondContact N-O 3.39Å
173	R	96	Very high	93	Very high	29 Å²	29	29 Å²	29	11%	0.109	16%	0.163	C	C	.	.			trans	-103.5	151.2	-178.6	-51.9	-54.6	-54.1	-90.6	-5.2	112.5	L170 I171 V175 D183 G186 I188 V290	L170-R173 VanDerWaalsContact O-CB 3.28Å; L170-R173 WeakPolarHBondContact O-CB 3.47Å; L170-R173 WeakPolarHBondContact O-CG 3.32Å; L170-R173 PolarHBondContact O-N 3.21Å; L170-R173 VanDerWaalsContact O-N 3.12Å; I171-R173 VanDerWaalsContact C-N 3.3Å; R173-V175 HydrophobicContact CB-CG1 4.38Å; R173-D183 VanDerWaalsContact CA-OD2 3.31Å; R173-D183 WeakPolarHBondContact CA-OD2 3.28Å; R173-D183 IonicContact CZ-OD1 3.77Å; R173-D183 IonicContact CZ-OD2 3.02Å; R173-D183 IonicContact NE-OD1 3.95Å; R173-D183 IonicContact NE-OD2 2.73Å; R173-D183 PolarHBondContact NE-OD2 3.41Å; R173-D183 IonicContact NH2-OD1 2.81Å; R173-D183 PolarHBondContact NH2-OD1 2.67Å; R173-D183 IonicContact NH2-OD2 3.6Å; R173-D183 PolarHBondContact NH2-OD2 2.97Å; R173-G186 VanDerWaalsContact CZ-O 3.29Å; R173-G186 PolarHBondContact NH1-O 3.19Å; R173-G186 PolarHBondContact NH2-O 3.48Å; R173-I188 HydrophobicContact CB-CD1 4.04Å; R173-I188 HydrophobicContact CG-CD1 4.04Å; R173-I188 HydrophobicContact CG-CG1 4.23Å; R173-V290 PolarHBondContact O-N 3.17Å
174	V	96	Very high	92.9	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.012	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	125.4	163.7	-166.5	0	0	0	0	108.1	P181 V182 D183 V276 V290 T292 F705	V174-P181 WeakPolarHBondContact O-CA 3.38Å; V174-V182 HydrophobicContact CB-CG2 4.1Å; V174-V182 HydrophobicContact CG1-CG2 3.66Å; V174-V182 PolarHBondContact O-N 2.89Å; V174-D183 HydrophobicContact CB-CB 3.88Å; V174-D183 HydrophobicContact CG2-CB 3.92Å; V174-D183 PolarHBondContact N-OD2 2.78Å; V174-V276 HydrophobicContact CG2-CG1 3.96Å; V174-V276 HydrophobicContact CG2-CG2 3.82Å; V174-V290 CarbonylContact C-O 3.46Å; V174-V290 WeakPolarHBondContact CA-O 3.33Å; V174-V290 HydrophobicContact CB-CB 4.43Å; V174-V290 HydrophobicContact CG1-CB 4.12Å; V174-V290 HydrophobicContact CG1-CG1 3.91Å; V174-V290 HydrophobicContact CG2-CB 4.24Å; V174-T292 HydrophobicContact CG1-CG2 3.83Å; V174-F705 HydrophobicContact CG2-CE1 4.36Å
175	V	96	Very high	92.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	155	-177.7	-63.4	0	0	0	0	112.8	L170 R173 Q180 I188 I289 V290 V291 T292 M312	L170-V175 HydrophobicContact CD2-CG1 3.9Å; L170-V175 HydrophobicContact CD2-CG2 4.32Å; R173-V175 HydrophobicContact CB-CG1 4.38Å; V175-Q180 CarbonylContact C-O 3.53Å; V175-Q180 WeakPolarHBondContact CA-O 3.4Å; V175-Q180 WeakPolarHBondContact CB-O 3.36Å; V175-I188 HydrophobicContact CG1-CD1 3.36Å; V175-I289 HydrophobicContact CG2-CG2 4.47Å; V175-V290 PolarHBondContact N-O 3.18Å; V175-V291 HydrophobicContact CG2-CB 4.49Å; V175-V291 HydrophobicContact CG2-CG2 3.98Å; V175-V291 CarbonylContact O-C 3.17Å; V175-V291 WeakPolarHBondContact O-CA 3.42Å; V175-T292 PolarHBondContact O-N 3.36Å; V175-M312 HydrophobicContact CG2-CE 4.14Å; V175-M312 HydrophobicContact CG2-SD 4.47Å
176	N	92.6	Very high	92.4	Very high	22 Å²	22	35.3 Å²	35.3	12%	0.118	22%	0.222	C	C	.	.			trans	-77.6	176.9	166.4	76.1	5.9	0	0	0	111.3	L178 G179 Q180 V182	N176-L178 PolarHBondContact O-N 2.73Å; N176-L178 VanDerWaalsContact O-N 3.11Å; N176-L178 WeakPolarHBondContact OD1-CA 3.4Å; N176-L178 WeakPolarHBondContact OD1-CB 3.42Å; N176-L178 PolarHBondContact OD1-N 3.48Å; N176-G179 PolarHBondContact O-N 3.06Å; N176-G179 PolarHBondContact OD1-N 3.11Å; N176-Q180 PolarHBondContact N-O 3.14Å; N176-Q180 PolarHBondContact ND2-OE1 3.12Å; N176-Q180 WeakPolarHBondContact OD1-CB 3.33Å; N176-Q180 PolarHBondContact OD1-N 3.19Å; N176-V182 HydrophobicContact CB-CG1 4.1Å
177	P	92.7	Very high	92.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-8.3	-179.9	-26.2	39.7	0	0	0	115.8	V164 G179 A293 L301 I304 A305 A308	V164-P177 WeakPolarHBondContact CG1-O 3.38Å; P177-G179 VanDerWaalsContact C-N 3.35Å; P177-A293 HydrophobicContact CG-CB 3.83Å; P177-L301 HydrophobicContact CB-CD2 4.29Å; P177-L301 HydrophobicContact CG-CB 4.08Å; P177-L301 HydrophobicContact CG-CD2 4.35Å; P177-L301 WeakPolarHBondContact CG-O 3.45Å; P177-I304 HydrophobicContact CB-CG2 3.57Å; P177-A305 HydrophobicContact CB-CB 4.22Å; P177-A305 HydrophobicContact CG-CB 3.74Å; P177-A308 VanDerWaalsContact O-CB 3.27Å; P177-A308 WeakPolarHBondContact O-CB 3.21Å
178	L	90.1	Very high	91.9	Very high	28 Å²	28	42.4 Å²	42.4	15%	0.147	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-2.9	170.4	-53.4	-176.3	0	0	0	112.2	F127 L143 M162 P165 N176 Q180	F127-L178 HydrophobicContact CD2-CD1 4.42Å; L143-L178 HydrophobicContact CB-CD2 4.19Å; L143-L178 HydrophobicContact CD1-CD2 4.43Å; M162-L178 HydrophobicContact CE-CD2 3.5Å; P165-L178 VanDerWaalsContact CD-O 3.3Å; P165-L178 WeakPolarHBondContact CD-O 3.19Å; N176-L178 PolarHBondContact O-N 2.73Å; N176-L178 VanDerWaalsContact O-N 3.11Å; N176-L178 WeakPolarHBondContact OD1-CA 3.4Å; N176-L178 WeakPolarHBondContact OD1-CB 3.42Å; N176-L178 PolarHBondContact OD1-N 3.48Å; L178-Q180 VanDerWaalsContact C-N 3.31Å; L178-Q180 HydrophobicContact CB-CG 4.15Å
179	G	90.7	Very high	91.6	Very high	3 Å²	3	45.5 Å²	45.5	3%	0.031	27%	0.268	C	S	.	.	S	Bend	trans	76.3	14	-174.3	0	0	0	0	0	114.4	N176 P177	N176-G179 PolarHBondContact O-N 3.06Å; N176-G179 PolarHBondContact OD1-N 3.11Å; P177-G179 VanDerWaalsContact C-N 3.35Å
180	Q	90.5	Very high	91.3	Very high	94 Å²	94	45.7 Å²	45.7	44%	0.439	27%	0.266	S	S	.	.			trans	-82.1	138.4	174.2	-58.8	165.4	-33.7	0	0	109.7	V175 N176 L178	V175-Q180 CarbonylContact C-O 3.53Å; V175-Q180 WeakPolarHBondContact CA-O 3.4Å; V175-Q180 WeakPolarHBondContact CB-O 3.36Å; N176-Q180 PolarHBondContact N-O 3.14Å; N176-Q180 PolarHBondContact ND2-OE1 3.12Å; N176-Q180 WeakPolarHBondContact OD1-CB 3.33Å; N176-Q180 PolarHBondContact OD1-N 3.19Å; L178-Q180 VanDerWaalsContact C-N 3.31Å; L178-Q180 HydrophobicContact CB-CG 4.15Å
181	P	92.8	Very high	90.8	Very high	40 Å²	40	52.8 Å²	52.8	26%	0.26	31%	0.309	S	S	.	.	B	Isolated β-bridge	trans	-70.8	141.4	-177.3	28.5	-34.2	0	0	0	113.3	V174 I188	V174-P181 WeakPolarHBondContact O-CA 3.38Å; P181-I188 HydrophobicContact CB-CD1 4.23Å; P181-I188 HydrophobicContact CB-CG1 4.25Å; P181-I188 HydrophobicContact CG-CG1 4.29Å
182	V	91.5	Very high	90.6	Very high	48 Å²	48	52.7 Å²	52.7	29%	0.291	31%	0.314	S	S	.	.			trans	-127.3	8.9	177	-58.5	0	0	0	0	113.1	V174 N176 T292	V174-V182 HydrophobicContact CB-CG2 4.1Å; V174-V182 HydrophobicContact CG1-CG2 3.66Å; V174-V182 PolarHBondContact O-N 2.89Å; N176-V182 HydrophobicContact CB-CG1 4.1Å; V182-T292 HydrophobicContact CG2-CG2 3.74Å
183	D	90.1	Very high	90.5	Very high	16 Å²	16	55.1 Å²	55.1	9%	0.086	33%	0.326	C	S	.	.	S	Bend	trans	-90	-1.3	179.9	53.4	24.6	0	0	0	114.7	R173 V174 L185	R173-D183 VanDerWaalsContact CA-OD2 3.31Å; R173-D183 WeakPolarHBondContact CA-OD2 3.28Å; R173-D183 IonicContact CZ-OD1 3.77Å; R173-D183 IonicContact CZ-OD2 3.02Å; R173-D183 IonicContact NE-OD1 3.95Å; R173-D183 IonicContact NE-OD2 2.73Å; R173-D183 PolarHBondContact NE-OD2 3.41Å; R173-D183 IonicContact NH2-OD1 2.81Å; R173-D183 PolarHBondContact NH2-OD1 2.67Å; R173-D183 IonicContact NH2-OD2 3.6Å; R173-D183 PolarHBondContact NH2-OD2 2.97Å; V174-D183 HydrophobicContact CB-CB 3.88Å; V174-D183 HydrophobicContact CG2-CB 3.92Å; V174-D183 PolarHBondContact N-OD2 2.78Å; D183-L185 HydrophobicContact CB-CD1 4.31Å; D183-L185 HydrophobicContact CB-CG 4.16Å; D183-L185 PolarHBondContact O-N 3.28Å; D183-L185 WeakPolarHBondContact OD1-CB 3.43Å; D183-L185 PolarHBondContact OD1-N 3.36Å
184	G	86.5	Confident	90.3	Very high	70 Å²	70	55.8 Å²	55.8	72%	0.722	33%	0.328	S	S	*	.	S	Bend	trans	73.4	4.1	-175.4	0	0	0	0	0	115.3	G186	G184-G186 VanDerWaalsContact C-N 3.29Å; G184-G186 PolarHBondContact O-N 3.31Å
185	L	88.8	Confident	90.1	Very high	111 Å²	111	57.7 Å²	57.7	58%	0.581	34%	0.341	S	S	*	.	S	Bend	trans	-87.7	14	-175	-53.9	176.8	0	0	0	114.1	D183	D183-L185 HydrophobicContact CB-CD1 4.31Å; D183-L185 HydrophobicContact CB-CG 4.16Å; D183-L185 PolarHBondContact O-N 3.28Å; D183-L185 WeakPolarHBondContact OD1-CB 3.43Å; D183-L185 PolarHBondContact OD1-N 3.36Å
186	G	86.8	Confident	89.9	Confident	42 Å²	42	57.8 Å²	57.8	43%	0.433	34%	0.341	S	S	.	.			trans	77.2	177	178.1	0	0	0	0	0	115.2	R173 G184	R173-G186 VanDerWaalsContact CZ-O 3.29Å; R173-G186 PolarHBondContact NH1-O 3.19Å; R173-G186 PolarHBondContact NH2-O 3.48Å; G184-G186 VanDerWaalsContact C-N 3.29Å; G184-G186 PolarHBondContact O-N 3.31Å
187	D	88.2	Confident	89.6	Confident	135 Å²	135	60 Å²	60	72%	0.722	35%	0.351	S	S	*	.			trans	-61.7	146.6	-167.1	-57	-47.5	0	0	0	115.4
188	I	89.1	Confident	89.4	Confident	28 Å²	28	61.6 Å²	61.6	14%	0.144	36%	0.36	C	S	.	.			trans	-84.8	118.8	175	-65.8	178.2	0	0	0	109.6	A169 L170 R173 V175 P181 T190	A169-I188 HydrophobicContact CB-CG2 4.03Å; L170-I188 HydrophobicContact CD2-CD1 3.85Å; L170-I188 HydrophobicContact CG-CD1 4.25Å; L170-I188 HydrophobicContact CG-CG2 4.15Å; R173-I188 HydrophobicContact CB-CD1 4.04Å; R173-I188 HydrophobicContact CG-CD1 4.04Å; R173-I188 HydrophobicContact CG-CG1 4.23Å; V175-I188 HydrophobicContact CG1-CD1 3.36Å; P181-I188 HydrophobicContact CB-CD1 4.23Å; P181-I188 HydrophobicContact CB-CG1 4.25Å; P181-I188 HydrophobicContact CG-CG1 4.29Å; I188-T190 HydrophobicContact CG2-CG2 4.2Å; I188-T190 PolarHBondContact O-N 3.2Å
189	K	87.4	Confident	89.5	Confident	190 Å²	190	66 Å²	66	83%	0.826	39%	0.391	S	S	*	.			trans	-95	80.4	-175.7	-65.1	177.6	-177	174.5	0	111.2
190	T	87.4	Confident	89.6	Confident	45 Å²	45	67.5 Å²	67.5	28%	0.276	40%	0.403	S	S	.	.			trans	-130.3	152.4	169.3	-172.4	0	0	0	0	111.3	P165 V166 I188 A192	P165-T190 HydrophobicContact CB-CG2 3.55Å; V166-T190 WeakPolarHBondContact O-CB 3.38Å; V166-T190 PolarHBondContact O-OG1 2.89Å; I188-T190 HydrophobicContact CG2-CG2 4.2Å; I188-T190 PolarHBondContact O-N 3.2Å; T190-A192 PolarHBondContact OG1-N 3.02Å
191	T	84.2	Confident	89.7	Confident	149 Å²	149	63 Å²	63	91%	0.914	38%	0.382	S	S	*	.			trans	-113.2	-2.8	170.8	56	0	0	0	0	112.5
192	A	91.5	Very high	89.6	Confident	38 Å²	38	62.7 Å²	62.7	31%	0.314	39%	0.386	S	S	.	.			trans	-87.5	137.4	177.4	0	0	0	0	0	110.3	P165 V166 T190	P165-A192 WeakPolarHBondContact CA-O 3.36Å; V166-A192 HydrophobicContact CG2-CB 3.77Å; V166-A192 PolarHBondContact N-O 3.12Å; T190-A192 PolarHBondContact OG1-N 3.02Å
193	T	92.4	Very high	89.6	Confident	68 Å²	68	66.8 Å²	66.8	42%	0.417	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	156.8	178.5	50.8	0	0	0	0	110.8	E163 V164	E163-T193 PolarHBondContact OE2-OG1 3.4Å; V164-T193 CarbonylContact O-C 3.27Å; V164-T193 WeakPolarHBondContact O-CA 3.19Å
194	R	92.2	Very high	89.6	Confident	43 Å²	43	74.2 Å²	74.2	16%	0.162	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	145.3	170.9	-68.8	179.2	78.6	95.7	1.7	111.1	E163 V164 V166 A311 E314 E315	E163-R194 CarbonylContact C-O 3.49Å; E163-R194 VanDerWaalsContact CA-O 3.25Å; E163-R194 WeakPolarHBondContact CA-O 3.45Å; V164-R194 PolarHBondContact N-O 3.17Å; V164-R194 PolarHBondContact O-N 2.75Å; V166-R194 HydrophobicContact CG1-CB 4Å; V166-R194 HydrophobicContact CG1-CG 3.91Å; V166-R194 HydrophobicContact CG2-CG 3.96Å; R194-A311 WeakPolarHBondContact CD-O 3.44Å; R194-E314 IonicContact CZ-OE2 2.71Å; R194-E314 IonicContact NE-OE2 3.8Å; R194-E314 IonicContact NH2-OE2 3.68Å; R194-E314 PolarHBondContact NH2-OE2 3.16Å; R194-E315 VanDerWaalsContact CD-OE2 3.31Å; R194-E315 WeakPolarHBondContact CD-OE2 3.32Å; R194-E315 IonicContact CZ-OE2 3.53Å; R194-E315 IonicContact NE-OE2 3.45Å; R194-E315 IonicContact NH1-OE2 3.5Å; R194-E315 PolarHBondContact NH1-OE2 2.95Å
195	P	91.5	Very high	89.9	Confident	42 Å²	42	75 Å²	75	27%	0.273	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	139.2	170.8	-25	35	0	0	0	112	I161 M162 E163 E197 T198	I161-P195 HydrophobicContact CG2-CB 4.33Å; M162-P195 CarbonylContact O-C 3.53Å; M162-P195 VanDerWaalsContact O-CA 3.28Å; M162-P195 WeakPolarHBondContact O-CA 2.93Å; E163-P195 HydrophobicContact CG-CG 4.33Å; P195-E197 VanDerWaalsContact C-N 3.32Å; P195-T198 HydrophobicContact CB-CG2 4.06Å
196	V	90.6	Very high	90.1	Very high	2 Å²	2	73.1 Å²	73.1	1%	0.012	42%	0.417	C	S	.	.	S	Bend	trans	-71.1	-29.5	177	-61.7	0	0	0	0	112.1	M162 V164 I304 R367	M162-V196 HydrophobicContact CB-CG2 3.86Å; M162-V196 HydrophobicContact CE-CG1 4.16Å; M162-V196 HydrophobicContact CG-CG1 4.06Å; M162-V196 HydrophobicContact CG-CG2 3.7Å; M162-V196 PolarHBondContact O-N 3.47Å; M162-V196 HydrophobicContact SD-CG2 3.96Å; V164-V196 HydrophobicContact CB-CG1 4.29Å; V164-V196 HydrophobicContact CG1-CG1 3.55Å; V164-V196 HydrophobicContact CG2-CG1 3.98Å; V196-I304 HydrophobicContact CG2-CD1 4.17Å; V196-I304 HydrophobicContact CG2-CG1 4.28Å; V196-R367 PolarHBondContact O-NH1 3.12Å
197	E	86.2	Confident	90.4	Very high	68 Å²	68	74.7 Å²	74.7	32%	0.318	41%	0.412	S	S	.	.	S	Bend	trans	-106.2	111.2	170.3	-63.4	-160.8	-174.3	0	0	110.4	P195 Y303 R363	P195-E197 VanDerWaalsContact C-N 3.32Å; E197-Y303 PolarHBondContact OE1-OH 2.88Å; E197-R363 VanDerWaalsContact CD-NH1 3.26Å; E197-R363 VanDerWaalsContact CD-NH2 3.35Å; E197-R363 IonicContact OE1-CZ 2.95Å; E197-R363 IonicContact OE1-NH1 2.7Å; E197-R363 PolarHBondContact OE1-NH1 3.47Å; E197-R363 IonicContact OE1-NH2 2.75Å; E197-R363 PolarHBondContact OE1-NH2 2.98Å; E197-R363 IonicContact OE2-CZ 2.77Å; E197-R363 IonicContact OE2-NH1 3.96Å; E197-R363 PolarHBondContact OE2-NH1 3.44Å; E197-R363 IonicContact OE2-NH2 3.65Å
198	T	88.7	Confident	90.6	Very high	33 Å²	33	73 Å²	73	20%	0.202	41%	0.411	C	S	.	.			trans	-126.2	152.7	172.1	58.7	0	0	0	0	110.4	P195 E314 R367	P195-T198 HydrophobicContact CB-CG2 4.06Å; T198-E314 PolarHBondContact OG1-OE1 2.86Å; T198-E314 PolarHBondContact OG1-OE2 2.93Å; T198-R367 PolarHBondContact OG1-NE 2.78Å; T198-R367 PolarHBondContact OG1-NH2 2.9Å
199	P	91.6	Very high	90.7	Very high	120 Å²	120	73 Å²	73	78%	0.779	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-65.4	135.4	171.7	-20.5	33.3	0	0	0	111.9
200	A	94	Very high	90.7	Very high	35 Å²	35	67.6 Å²	67.6	29%	0.289	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-59.2	149.7	173.7	0	0	0	0	0	112.9	G202 E366 R367	A200-G202 PolarHBondContact O-N 3.23Å; A200-E366 HydrophobicContact CB-CB 3.77Å; A200-E366 WeakPolarHBondContact CB-O 3.46Å; A200-R367 HydrophobicContact CB-CG 4.03Å
201	P	92.1	Very high	90.9	Very high	1 Å²	1	68 Å²	68	1%	0.006	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-56.3	124.7	175	-23.1	32.4	0	0	0	111.7	Q205 R206 M317 V371	P201-Q205 HydrophobicContact CB-CB 4.24Å; P201-R206 HydrophobicContact CB-CG 4.27Å; P201-R206 VanDerWaalsContact O-CZ 3.26Å; P201-R206 PolarHBondContact O-NE 2.78Å; P201-R206 PolarHBondContact O-NH2 2.8Å; P201-M317 HydrophobicContact CG-CE 4.28Å; P201-V371 HydrophobicContact CG-CG1 4.34Å
202	G	90.8	Very high	91.3	Very high	32 Å²	32	62.3 Å²	62.3	33%	0.33	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-68.8	166.1	178.4	0	0	0	0	0	113.1	A200 M204 Q205 R206	A200-G202 PolarHBondContact O-N 3.23Å; G202-M204 VanDerWaalsContact C-N 3.31Å; G202-M204 PolarHBondContact O-N 2.73Å; G202-M204 VanDerWaalsContact O-N 3.17Å; G202-Q205 WeakPolarHBondContact O-CA 3.43Å; G202-Q205 WeakPolarHBondContact O-CB 3.33Å; G202-Q205 PolarHBondContact O-N 3.34Å; G202-R206 PolarHBondContact O-N 3.01Å
203	V	91.1	Very high	91.4	Very high	134 Å²	134	60.6 Å²	60.6	81%	0.812	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-52	-44.9	-173	-176.8	0	0	0	0	113.2	Q205 R206	V203-Q205 PolarHBondContact O-N 3.21Å; V203-R206 PolarHBondContact O-N 2.85Å
204	M	91.3	Very high	91.5	Very high	173 Å²	173	58.6 Å²	58.6	85%	0.852	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-74.4	-9.3	179.1	-63.6	-57.1	-57	0	0	114.5	G202	G202-M204 VanDerWaalsContact C-N 3.31Å; G202-M204 PolarHBondContact O-N 2.73Å; G202-M204 VanDerWaalsContact O-N 3.17Å
205	Q	92.8	Very high	91.5	Very high	85 Å²	85	56.6 Å²	56.6	40%	0.397	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-93.6	-6.2	176.6	-64.9	177.9	-60.7	0	0	112.5	P201 G202 V203 V371 S372 L375	P201-Q205 HydrophobicContact CB-CB 4.24Å; G202-Q205 WeakPolarHBondContact O-CA 3.43Å; G202-Q205 WeakPolarHBondContact O-CB 3.33Å; G202-Q205 PolarHBondContact O-N 3.34Å; V203-Q205 PolarHBondContact O-N 3.21Å; Q205-V371 CarbonylContact O-C 3.55Å; Q205-V371 WeakPolarHBondContact O-CA 3.47Å; Q205-S372 PolarHBondContact O-N 2.78Å; Q205-L375 HydrophobicContact CB-CD1 3.64Å; Q205-L375 HydrophobicContact CG-CD1 3.92Å
206	R	93.4	Very high	91.6	Very high	73 Å²	73	54.6 Å²	54.6	28%	0.275	31%	0.313	S	S	.	.	B	Isolated β-bridge	trans	-97	163.7	-180	-61.3	-175	-167.1	-170.7	6.5	112.3	P201 G202 V203 E366 A369 K370	P201-R206 HydrophobicContact CB-CG 4.27Å; P201-R206 VanDerWaalsContact O-CZ 3.26Å; P201-R206 PolarHBondContact O-NE 2.78Å; P201-R206 PolarHBondContact O-NH2 2.8Å; G202-R206 PolarHBondContact O-N 3.01Å; V203-R206 PolarHBondContact O-N 2.85Å; R206-E366 IonicContact CZ-OE2 3.52Å; R206-E366 IonicContact NH1-OE2 2.83Å; R206-E366 PolarHBondContact NH1-OE2 3.16Å; R206-E366 PolarHBondContact NH2-O 3.27Å; R206-E366 IonicContact NH2-OE2 3.41Å; R206-E366 PolarHBondContact NH2-OE2 2.76Å; R206-A369 HydrophobicContact CG-CB 4.12Å; R206-K370 CarbonylContact C-O 3.14Å; R206-K370 VanDerWaalsContact CA-O 3.31Å; R206-K370 WeakPolarHBondContact CA-O 3.32Å
207	K	91.8	Very high	91.7	Very high	74 Å²	74	54.7 Å²	54.7	32%	0.322	31%	0.314	S	S	.	.			trans	-130.3	145.5	171	176.9	166.4	171.5	172.1	0	109	K370 V371 D373	K207-K370 HydrophobicContact CB-CG 4.34Å; K207-K370 PolarHBondContact N-O 2.78Å; K207-V371 WeakPolarHBondContact CB-O 3.27Å; K207-D373 IonicContact NZ-OD1 3.98Å; K207-D373 PolarHBondContact NZ-OD1 2.75Å; K207-D373 IonicContact NZ-OD2 3.58Å; K207-D373 PolarHBondContact NZ-OD2 2.91Å
208	S	92.5	Very high	92.1	Very high	100 Å²	100	51.5 Å²	51.5	70%	0.699	30%	0.299	S	S	*	.			trans	-58.9	139.7	179.9	-53.6	0	0	0	0	111.6	S210	S208-S210 PolarHBondContact O-N 3.06Å
209	V	92	Very high	92.2	Very high	29 Å²	29	50.1 Å²	50.1	18%	0.176	29%	0.291	C	S	.	.			trans	-71.7	108.6	174.9	-179.9	0	0	0	0	109.2	Q230 V433	V209-Q230 HydrophobicContact CG1-CB 4.42Å; V209-V433 HydrophobicContact CB-CG1 4.18Å; V209-V433 HydrophobicContact CG1-CG1 4.02Å
210	S	87	Confident	92.3	Very high	75 Å²	75	44.5 Å²	44.5	52%	0.524	25%	0.254	S	S	.	.			trans	-137	14.7	-178.2	68	0	0	0	0	113.3	S208	S208-S210 PolarHBondContact O-N 3.06Å
211	E	90.3	Very high	92.3	Very high	55 Å²	55	43.1 Å²	43.1	26%	0.257	24%	0.242	S	C	.	.	S	Bend	trans	-124.9	128.1	-178.5	-73.2	155.7	-151.6	0	0	107.1	G227 R228 H322 K370	E211-G227 CarbonylContact O-C 3.47Å; E211-G227 WeakPolarHBondContact O-CA 3.37Å; E211-R228 HydrophobicContact CB-CB 4.03Å; E211-R228 HydrophobicContact CB-CG 4.16Å; E211-R228 PolarHBondContact O-N 3.36Å; E211-H322 IonicContact OE2-CE1 3.71Å; E211-K370 WeakPolarHBondContact OE1-CE 3.2Å; E211-K370 IonicContact OE1-NZ 2.7Å; E211-K370 PolarHBondContact OE1-NZ 2.83Å; E211-K370 WeakPolarHBondContact OE2-CE 3.45Å; E211-K370 IonicContact OE2-NZ 2.69Å; E211-K370 PolarHBondContact OE2-NZ 2.91Å
212	P	92.6	Very high	92.2	Very high	29 Å²	29	43.4 Å²	43.4	19%	0.188	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	145.5	178.5	30.5	-35.6	0	0	0	111.5	A437 I439	P212-A437 WeakPolarHBondContact CB-O 3.36Å; P212-I439 HydrophobicContact CG-CG2 4.17Å
213	L	94.7	Very high	92.2	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	111	154.4	-177.5	139.7	0	0	0	106.7	T215 I226 R228 M258 L324 T381	L213-T215 HydrophobicContact CD2-CG2 4.14Å; L213-T215 PolarHBondContact O-N 3.02Å; L213-I226 PolarHBondContact N-O 2.83Å; L213-R228 HydrophobicContact CB-CG 4.45Å; L213-M258 HydrophobicContact CD1-CE 3.51Å; L213-M258 HydrophobicContact CD1-SD 4.43Å; L213-L324 HydrophobicContact CD1-CB 4.17Å; L213-L324 HydrophobicContact CD1-CD1 4Å; L213-L324 HydrophobicContact CD1-CD2 4.45Å; L213-L324 HydrophobicContact CD1-CG 4.44Å; L213-L324 HydrophobicContact CD2-CD1 4.46Å; L213-T381 HydrophobicContact CD1-CG2 4.06Å
214	Q	93.4	Very high	92.2	Very high	26 Å²	26	36.2 Å²	36.2	12%	0.121	19%	0.193	C	C	.	.			trans	-76	119.6	178.5	-61.5	-63.1	-38.4	0	0	108.5	N252 Q253 V497	Q214-N252 WeakPolarHBondContact CB-ND2 3.18Å; Q214-N252 PolarHBondContact O-ND2 2.85Å; Q214-Q253 PolarHBondContact O-NE2 3.4Å; Q214-V497 HydrophobicContact CG-CB 4.43Å
215	T	93.6	Very high	92.3	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.006	16%	0.155	C	C	.	.			trans	-82.3	-20.5	174.9	62	0	0	0	0	112.4	L213 L217 I220 D221 I226 A249 N252	L213-T215 HydrophobicContact CD2-CG2 4.14Å; L213-T215 PolarHBondContact O-N 3.02Å; T215-L217 PolarHBondContact O-N 3.02Å; T215-L217 PolarHBondContact OG1-N 2.91Å; T215-I220 HydrophobicContact CG2-CB 4.47Å; T215-I220 HydrophobicContact CG2-CG2 3.91Å; T215-D221 WeakPolarHBondContact CB-OD1 3.37Å; T215-D221 PolarHBondContact N-OD1 2.89Å; T215-D221 PolarHBondContact N-OD2 3.19Å; T215-D221 PolarHBondContact OG1-OD1 2.82Å; T215-D221 PolarHBondContact OG1-OD2 2.54Å; T215-I226 HydrophobicContact CG2-CD1 3.98Å; T215-A249 HydrophobicContact CG2-CB 4.13Å; T215-A249 WeakPolarHBondContact O-CA 3.35Å; T215-N252 WeakPolarHBondContact O-CB 3.13Å
216	G	92.2	Very high	92.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	79.9	2.4	-172.6	0	0	0	0	0	112.7	D221 N252 Q489 P494 L495	G216-D221 PolarHBondContact N-OD2 3.45Å; G216-N252 PolarHBondContact N-ND2 2.88Å; G216-Q489 PolarHBondContact O-NE2 3.5Å; G216-P494 WeakPolarHBondContact O-CA 3.33Å; G216-L495 WeakPolarHBondContact CA-O 3.13Å; G216-L495 PolarHBondContact O-N 3.2Å
217	L	93.5	Very high	92.5	Very high	4 Å²	4	20.9 Å²	20.9	2%	0.021	12%	0.123	C	C	.	.			trans	-107.6	107.4	-178.8	-65.2	171.6	0	0	0	109	T215 A219 I220 D221 V245 D248 Q489	T215-L217 PolarHBondContact O-N 3.02Å; T215-L217 PolarHBondContact OG1-N 2.91Å; L217-A219 PolarHBondContact O-N 3.06Å; L217-I220 HydrophobicContact CB-CB 4.39Å; L217-I220 HydrophobicContact CB-CD1 4.17Å; L217-I220 HydrophobicContact CB-CG1 4.26Å; L217-I220 HydrophobicContact CD1-CD1 3.79Å; L217-I220 PolarHBondContact O-N 3.37Å; L217-D221 PolarHBondContact N-OD2 3.24Å; L217-D221 PolarHBondContact O-N 2.77Å; L217-V245 HydrophobicContact CD1-CB 4.28Å; L217-V245 HydrophobicContact CD1-CG1 3.93Å; L217-V245 HydrophobicContact CD1-CG2 4.29Å; L217-D248 HydrophobicContact CD1-CB 4.26Å; L217-D248 HydrophobicContact CD2-CB 4.31Å; L217-D248 HydrophobicContact CG-CB 4.43Å; L217-Q489 VanDerWaalsContact CA-OE1 3.32Å
218	K	93.7	Very high	92.6	Very high	1 Å²	1	18.8 Å²	18.8	0%	0.004	11%	0.114	C	C	.	.	H	α-helix	trans	-43.9	-44.5	179.9	-69.7	173.4	-70.2	175.6	0	111.8	I220 A222 V486 L487 K488 Q489 L495 Q500 I503 E524	K218-I220 PolarHBondContact O-N 2.7Å; K218-A222 WeakPolarHBondContact O-CB 3.49Å; K218-A222 PolarHBondContact O-N 3.11Å; K218-A222 VanDerWaalsContact O-N 3.12Å; K218-V486 WeakPolarHBondContact CD-O 3.35Å; K218-V486 WeakPolarHBondContact CE-O 3.43Å; K218-V486 PolarHBondContact NZ-O 3.21Å; K218-L487 HydrophobicContact CB-CD2 3.98Å; K218-K488 WeakPolarHBondContact CE-O 3.33Å; K218-K488 PolarHBondContact NZ-O 3.46Å; K218-Q489 VanDerWaalsContact CE-CD 3.49Å; K218-Q489 VanDerWaalsContact CE-OE1 3.3Å; K218-L495 HydrophobicContact CD-CD1 3.76Å; K218-L495 HydrophobicContact CG-CD1 4.05Å; K218-Q500 HydrophobicContact CG-CB 4.22Å; K218-Q500 HydrophobicContact CG-CG 3.88Å; K218-I503 HydrophobicContact CD-CG2 3.92Å; K218-E524 WeakPolarHBondContact CE-OE1 3.46Å; K218-E524 IonicContact NZ-OE1 3.16Å; K218-E524 PolarHBondContact NZ-OE1 2.78Å; K218-E524 IonicContact NZ-OE2 3.61Å; K218-E524 PolarHBondContact NZ-OE2 2.85Å
219	A	92.3	Very high	92.7	Very high	4 Å²	4	14.3 Å²	14.3	3%	0.033	8%	0.083	C	C	.	.	H	α-helix	trans	-65.9	-31.4	-179	0	0	0	0	0	114	L217 L223 P422 I424 L487	L217-A219 PolarHBondContact O-N 3.06Å; A219-L223 WeakPolarHBondContact O-CB 3.31Å; A219-L223 WeakPolarHBondContact O-CG 2.93Å; A219-L223 PolarHBondContact O-N 3.4Å; A219-P422 HydrophobicContact CB-CG 4.05Å; A219-I424 HydrophobicContact CB-CD1 3.88Å; A219-L487 HydrophobicContact CB-CB 4.37Å; A219-L487 HydrophobicContact CB-CD2 4.45Å
220	I	92.9	Very high	92.9	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-87.1	-55.5	177.9	-59.9	175.6	0	0	0	110	T215 L217 K218 A222 L223 V224 I226 V245 I409 I424	T215-I220 HydrophobicContact CG2-CB 4.47Å; T215-I220 HydrophobicContact CG2-CG2 3.91Å; L217-I220 HydrophobicContact CB-CB 4.39Å; L217-I220 HydrophobicContact CB-CD1 4.17Å; L217-I220 HydrophobicContact CB-CG1 4.26Å; L217-I220 HydrophobicContact CD1-CD1 3.79Å; L217-I220 PolarHBondContact O-N 3.37Å; K218-I220 PolarHBondContact O-N 2.7Å; I220-A222 PolarHBondContact O-N 3.05Å; I220-A222 VanDerWaalsContact O-N 3.1Å; I220-L223 PolarHBondContact O-N 3.35Å; I220-V224 WeakPolarHBondContact CG2-O 3.47Å; I220-V224 CarbonylContact O-C 3.54Å; I220-V224 WeakPolarHBondContact O-CA 3.41Å; I220-V224 PolarHBondContact O-N 3.19Å; I220-I226 HydrophobicContact CG2-CD1 3.88Å; I220-I226 HydrophobicContact CG2-CG1 3.91Å; I220-V245 HydrophobicContact CD1-CG1 3.44Å; I220-V245 VanDerWaalsContact CD1-CG1 3.44Å; I220-I409 HydrophobicContact CD1-CD1 4.04Å; I220-I409 HydrophobicContact CG1-CD1 4.19Å; I220-I409 HydrophobicContact CG2-CD1 3.98Å; I220-I424 HydrophobicContact CD1-CD1 4.11Å; I220-I424 HydrophobicContact CG1-CD1 3.4Å; I220-I424 VanDerWaalsContact CG1-CD1 3.4Å
221	D	93.3	Very high	93.3	Very high	6 Å²	6	10.3 Å²	10.3	3%	0.032	5%	0.053	C	C	.	.	H	α-helix	trans	-60.6	-27.2	-174.2	-66.7	-20.4	0	0	0	112	T215 G216 L217 Q438 M442 Q500	T215-D221 WeakPolarHBondContact CB-OD1 3.37Å; T215-D221 PolarHBondContact N-OD1 2.89Å; T215-D221 PolarHBondContact N-OD2 3.19Å; T215-D221 PolarHBondContact OG1-OD1 2.82Å; T215-D221 PolarHBondContact OG1-OD2 2.54Å; G216-D221 PolarHBondContact N-OD2 3.45Å; L217-D221 PolarHBondContact N-OD2 3.24Å; L217-D221 PolarHBondContact O-N 2.77Å; D221-Q438 PolarHBondContact O-NE2 2.8Å; D221-M442 HydrophobicContact CB-CE 4.36Å; D221-Q500 VanDerWaalsContact CB-OE1 3.27Å; D221-Q500 PolarHBondContact OD2-NE2 3.12Å; D221-Q500 PolarHBondContact OD2-OE1 3.18Å
222	A	91.5	Very high	93.6	Very high	7 Å²	7	7.7 Å²	7.7	6%	0.058	4%	0.041	C	C	.	.	H	α-helix	trans	-86.8	-50	172.6	0	0	0	0	0	114.6	K218 I220 Q438 M442 A446 L449 L504	K218-A222 WeakPolarHBondContact O-CB 3.49Å; K218-A222 PolarHBondContact O-N 3.11Å; K218-A222 VanDerWaalsContact O-N 3.12Å; I220-A222 PolarHBondContact O-N 3.05Å; I220-A222 VanDerWaalsContact O-N 3.1Å; A222-Q438 PolarHBondContact O-NE2 3.07Å; A222-M442 HydrophobicContact CB-SD 4.06Å; A222-A446 HydrophobicContact CB-CB 3.74Å; A222-L449 HydrophobicContact CB-CD2 3.99Å; A222-L504 HydrophobicContact CB-CD1 3.84Å
223	L	90.6	Very high	93.8	Very high	15 Å²	15	6.3 Å²	6.3	8%	0.079	3%	0.032	C	C	.	.	H	α-helix	trans	-95.3	-35.1	-168.3	-53.2	174.8	0	0	0	114.5	A219 I220 A426 L449 R450 L453 L487	A219-L223 WeakPolarHBondContact O-CB 3.31Å; A219-L223 WeakPolarHBondContact O-CG 2.93Å; A219-L223 PolarHBondContact O-N 3.4Å; I220-L223 PolarHBondContact O-N 3.35Å; L223-A426 HydrophobicContact CD1-CB 3.94Å; L223-L449 HydrophobicContact CD2-CB 3.96Å; L223-L449 HydrophobicContact CD2-CD2 3.82Å; L223-L449 HydrophobicContact CD2-CG 3.89Å; L223-R450 HydrophobicContact CD2-CB 4.01Å; L223-L453 HydrophobicContact CD1-CD1 3.72Å; L223-L453 HydrophobicContact CD2-CD1 3.84Å; L223-L453 HydrophobicContact CG-CD1 4.44Å; L223-L487 HydrophobicContact CD1-CD1 3.84Å; L223-L487 HydrophobicContact CG-CD1 4.46Å
224	V	91.9	Very high	93.9	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.032	C	C	.	.	S	Bend	trans	-135.4	59.3	-171.3	-161.1	0	0	0	0	109.5	I220 E232 I409	I220-V224 WeakPolarHBondContact CG2-O 3.47Å; I220-V224 CarbonylContact O-C 3.54Å; I220-V224 WeakPolarHBondContact O-CA 3.41Å; I220-V224 PolarHBondContact O-N 3.19Å; V224-E232 WeakPolarHBondContact CG1-OE1 3.22Å; V224-I409 HydrophobicContact CB-CG1 4.15Å; V224-I409 HydrophobicContact CG1-CD1 4.49Å; V224-I409 HydrophobicContact CG1-CG1 3.71Å
225	P	93.1	Very high	94	Very high	7 Å²	7	5.1 Å²	5.1	5%	0.045	3%	0.026	C	C	.	.			trans	-65.9	139.1	-168.1	27.7	-37.7	0	0	0	112.4	S431 G434 A437 Q438	P225-S431 WeakPolarHBondContact O-CB 3.34Å; P225-S431 PolarHBondContact O-OG 3.14Å; P225-G434 WeakPolarHBondContact CG-O 3.35Å; P225-A437 HydrophobicContact CB-CB 4.25Å; P225-Q438 HydrophobicContact CB-CG 3.48Å; P225-Q438 VanDerWaalsContact CB-CG 3.48Å; P225-Q438 HydrophobicContact CG-CG 3.8Å
226	I	95.3	Very high	93.9	Very high	2 Å²	2	5 Å²	5	1%	0.01	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	134.2	-177	-47.4	-174.5	0	0	0	109.3	L213 T215 I220 Q230 E232 T381 L383 I409	L213-I226 PolarHBondContact N-O 2.83Å; T215-I226 HydrophobicContact CG2-CD1 3.98Å; I220-I226 HydrophobicContact CG2-CD1 3.88Å; I220-I226 HydrophobicContact CG2-CG1 3.91Å; I226-Q230 HydrophobicContact CG2-CB 4.38Å; I226-E232 HydrophobicContact CD1-CB 4.09Å; I226-E232 HydrophobicContact CD1-CG 4.16Å; I226-E232 HydrophobicContact CG1-CB 4.3Å; I226-E232 HydrophobicContact CG1-CG 4.19Å; I226-E232 HydrophobicContact CG2-CB 4.33Å; I226-T381 HydrophobicContact CG2-CG2 3.64Å; I226-L383 HydrophobicContact CD1-CD2 3.7Å; I226-I409 HydrophobicContact CD1-CD1 4.08Å
227	G	93.9	Very high	93.7	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	162.8	177.8	0	0	0	0	0	114.8	E211 G229 Q230 T381	E211-G227 CarbonylContact O-C 3.47Å; E211-G227 WeakPolarHBondContact O-CA 3.37Å; G227-G229 PolarHBondContact O-N 2.84Å; G227-Q230 VanDerWaalsContact O-CB 3.32Å; G227-Q230 WeakPolarHBondContact O-CB 3.5Å; G227-Q230 PolarHBondContact O-N 3.02Å; G227-Q230 VanDerWaalsContact O-N 3.11Å; G227-T381 PolarHBondContact O-OG1 2.81Å
228	R	94.6	Very high	93.1	Very high	31 Å²	31	8.4 Å²	8.4	12%	0.117	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	109.6	172.7	-66.8	-168.5	178.4	-146.6	-9	109.8	E211 L213 Q256 D257 M258 H322 T381	E211-R228 HydrophobicContact CB-CB 4.03Å; E211-R228 HydrophobicContact CB-CG 4.16Å; E211-R228 PolarHBondContact O-N 3.36Å; L213-R228 HydrophobicContact CB-CG 4.45Å; R228-Q256 PolarHBondContact NH2-O 2.78Å; R228-D257 PolarHBondContact NH1-O 3.09Å; R228-M258 VanDerWaalsContact CZ-SD 3.58Å; R228-H322 PolarHBondContact NH1-CD2 2.82Å; R228-H322 VanDerWaalsContact NH1-CG 3.3Å; R228-T381 VanDerWaalsContact CA-OG1 3.29Å; R228-T381 WeakPolarHBondContact CA-OG1 3.39Å
229	G	93.9	Very high	92.3	Very high	5 Å²	5	13.2 Å²	13.2	5%	0.052	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.8	10.4	-173.8	0	0	0	0	0	116.2	G227 I380 T381	G227-G229 PolarHBondContact O-N 2.84Å; G229-I380 WeakPolarHBondContact CA-O 3.46Å; G229-T381 PolarHBondContact N-OG1 2.93Å
230	Q	95.6	Very high	92	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.061	C	C	.	.			trans	-90.2	156.4	175.6	-175.6	168.4	-15.8	0	0	112	V209 I226 G227 E232 T381 A382 D406 S431 V433	V209-Q230 HydrophobicContact CG1-CB 4.42Å; I226-Q230 HydrophobicContact CG2-CB 4.38Å; G227-Q230 VanDerWaalsContact O-CB 3.32Å; G227-Q230 WeakPolarHBondContact O-CB 3.5Å; G227-Q230 PolarHBondContact O-N 3.02Å; G227-Q230 VanDerWaalsContact O-N 3.11Å; Q230-E232 PolarHBondContact NE2-OE2 2.84Å; Q230-T381 CarbonylContact O-C 3.51Å; Q230-T381 VanDerWaalsContact O-CA 3.27Å; Q230-T381 WeakPolarHBondContact O-CA 3.39Å; Q230-T381 WeakPolarHBondContact O-CG2 3.36Å; Q230-A382 PolarHBondContact O-N 3.24Å; Q230-D406 HydrophobicContact CG-CB 3.87Å; Q230-S431 PolarHBondContact NE2-OG 2.68Å; Q230-V433 VanDerWaalsContact CD-CG2 3.48Å; Q230-V433 HydrophobicContact CG-CG2 3.96Å
231	R	96.8	Very high	91.7	Very high	20 Å²	20	13.7 Å²	13.7	8%	0.075	7%	0.068	C	C	.	.	B	Isolated β-bridge	trans	-117.2	103.9	173.8	-59	152	-64	176.2	11.6	109.1	L365 E366 S368 A382 T405 D406	R231-L365 WeakPolarHBondContact CD-O 3.07Å; R231-E366 IonicContact CZ-OE1 3.39Å; R231-E366 IonicContact NH1-OE1 3.49Å; R231-E366 PolarHBondContact NH1-OE1 3.1Å; R231-E366 IonicContact NH1-OE2 2.74Å; R231-E366 PolarHBondContact NH1-OE2 3.49Å; R231-E366 IonicContact NH2-OE1 3.62Å; R231-S368 WeakPolarHBondContact CD-O 3.5Å; R231-A382 CarbonylContact C-O 3.26Å; R231-A382 WeakPolarHBondContact CA-O 3.49Å; R231-A382 HydrophobicContact CB-CB 4.43Å; R231-A382 HydrophobicContact CG-CB 4.1Å; R231-T405 HydrophobicContact CB-CG2 4.38Å; R231-T405 WeakPolarHBondContact O-CB 3.49Å; R231-D406 WeakPolarHBondContact CB-OD2 3.27Å; R231-D406 IonicContact CZ-OD1 2.73Å; R231-D406 IonicContact CZ-OD2 2.7Å; R231-D406 PolarHBondContact N-OD2 3.15Å; R231-D406 IonicContact NE-OD1 3.85Å; R231-D406 IonicContact NE-OD2 2.75Å; R231-D406 PolarHBondContact NE-OD2 2.87Å; R231-D406 IonicContact NH2-OD1 2.64Å; R231-D406 PolarHBondContact NH2-OD1 3.28Å; R231-D406 IonicContact NH2-OD2 2.67Å; R231-D406 PolarHBondContact NH2-OD2 2.77Å; R231-D406 PolarHBondContact O-N 2.94Å
232	E	96.9	Very high	91.7	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	110.2	-174.9	-159	70.6	-171.6	0	0	110.2	V224 I226 Q230 A382 L383 G407 Q408 I409 S431	V224-E232 WeakPolarHBondContact CG1-OE1 3.22Å; I226-E232 HydrophobicContact CD1-CB 4.09Å; I226-E232 HydrophobicContact CD1-CG 4.16Å; I226-E232 HydrophobicContact CG1-CB 4.3Å; I226-E232 HydrophobicContact CG1-CG 4.19Å; I226-E232 HydrophobicContact CG2-CB 4.33Å; Q230-E232 PolarHBondContact NE2-OE2 2.84Å; E232-A382 PolarHBondContact N-O 3.04Å; E232-L383 HydrophobicContact CB-CD2 4.09Å; E232-G407 WeakPolarHBondContact OE1-CA 3.48Å; E232-G407 VanDerWaalsContact OE2-CA 3.32Å; E232-G407 WeakPolarHBondContact OE2-CA 3.42Å; E232-Q408 PolarHBondContact OE1-N 3.27Å; E232-Q408 VanDerWaalsContact OE1-N 3.14Å; E232-I409 HydrophobicContact CG-CD1 4.08Å; E232-I409 HydrophobicContact CG-CG1 4.14Å; E232-S431 WeakPolarHBondContact OE1-CA 3.32Å
233	L	97.1	Very high	91.7	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	130.7	-179.4	170	61.2	0	0	0	110.8	I235 P384 I386 V401 I402 T405 G407 Q408 I409	L233-I235 HydrophobicContact CD1-CB 4.25Å; L233-I235 HydrophobicContact CD2-CB 4.01Å; L233-I235 HydrophobicContact CD2-CD1 4.33Å; L233-I235 HydrophobicContact CD2-CG2 3.95Å; L233-I235 HydrophobicContact CG-CB 3.87Å; L233-I235 HydrophobicContact CG-CG2 3.92Å; L233-P384 WeakPolarHBondContact CD1-O 3.33Å; L233-I386 HydrophobicContact CD1-CB 3.99Å; L233-I386 HydrophobicContact CD1-CG1 3.76Å; L233-V401 HydrophobicContact CD1-CG1 3.86Å; L233-V401 HydrophobicContact CD2-CG1 4.17Å; L233-V401 HydrophobicContact CG-CG1 4.47Å; L233-I402 HydrophobicContact CD2-CB 4.42Å; L233-I402 HydrophobicContact CD2-CG1 3.51Å; L233-T405 HydrophobicContact CB-CG2 3.92Å; L233-G407 WeakPolarHBondContact CB-O 3.49Å; L233-G407 PolarHBondContact N-O 3.21Å; L233-Q408 HydrophobicContact CB-CB 3.92Å; L233-Q408 HydrophobicContact CD2-CB 4.12Å; L233-Q408 HydrophobicContact CG-CB 4.22Å; L233-Q408 CarbonylContact O-C 3.08Å; L233-Q408 VanDerWaalsContact O-CA 3.23Å; L233-Q408 WeakPolarHBondContact O-CA 3.4Å; L233-I409 PolarHBondContact O-N 3.2Å
234	I	96.3	Very high	91.7	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	112.3	164.3	-55	-171.6	0	0	0	108.1	K242 V245 L383 P384 F385 I386 I409 L411	I234-K242 HydrophobicContact CG2-CB 4.19Å; I234-K242 HydrophobicContact CG2-CG 4.13Å; I234-V245 HydrophobicContact CD1-CB 4.43Å; I234-V245 HydrophobicContact CD1-CG1 3.7Å; I234-L383 HydrophobicContact CD1-CD1 4.5Å; I234-P384 PolarHBondContact N-O 3.47Å; I234-F385 HydrophobicContact CB-CD1 3.82Å; I234-F385 HydrophobicContact CB-CE1 4.03Å; I234-F385 HydrophobicContact CD1-CE1 3.93Å; I234-F385 HydrophobicContact CG1-CD1 4.42Å; I234-F385 HydrophobicContact CG1-CE1 4.3Å; I234-F385 VanDerWaalsContact O-CA 3.27Å; I234-F385 WeakPolarHBondContact O-CA 3.41Å; I234-I386 PolarHBondContact O-N 3.31Å; I234-I409 HydrophobicContact CG1-CB 4.47Å; I234-I409 HydrophobicContact CG1-CD1 4.43Å; I234-L411 HydrophobicContact CG2-CD1 3.97Å; I234-L411 HydrophobicContact CG2-CG 4.3Å
235	I	94.8	Very high	91.8	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.01	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	138.3	-172.8	177.2	168.3	0	0	0	110.4	L233 I386 T388 I393 A398 I402 Q408 I409 F410 L411	L233-I235 HydrophobicContact CD1-CB 4.25Å; L233-I235 HydrophobicContact CD2-CB 4.01Å; L233-I235 HydrophobicContact CD2-CD1 4.33Å; L233-I235 HydrophobicContact CD2-CG2 3.95Å; L233-I235 HydrophobicContact CG-CB 3.87Å; L233-I235 HydrophobicContact CG-CG2 3.92Å; I235-I386 WeakPolarHBondContact CA-O 3.41Å; I235-I386 HydrophobicContact CD1-CB 4.46Å; I235-I386 HydrophobicContact CD1-CG2 4.1Å; I235-I386 HydrophobicContact CG1-CB 4.33Å; I235-I386 HydrophobicContact CG1-CG2 4.2Å; I235-T388 HydrophobicContact CD1-CG2 3.82Å; I235-T388 HydrophobicContact CG1-CG2 3.69Å; I235-I393 HydrophobicContact CD1-CG2 4.02Å; I235-A398 HydrophobicContact CD1-CB 3.88Å; I235-I402 HydrophobicContact CD1-CD1 4.02Å; I235-I402 HydrophobicContact CD1-CG1 4.43Å; I235-Q408 HydrophobicContact CG2-CB 4.11Å; I235-Q408 HydrophobicContact CG2-CG 4.45Å; I235-I409 WeakPolarHBondContact CG2-O 3.2Å; I235-I409 PolarHBondContact N-O 3.15Å; I235-F410 HydrophobicContact CG1-CD2 4.47Å; I235-F410 HydrophobicContact CG2-CD2 4.17Å; I235-F410 CarbonylContact O-C 3.55Å; I235-F410 VanDerWaalsContact O-CA 3.32Å; I235-F410 WeakPolarHBondContact O-CA 3.45Å; I235-F410 WeakPolarHBondContact O-CD2 3.43Å; I235-L411 PolarHBondContact O-N 3.2Å
236	G	91.5	Very high	91.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.9	172.7	179.1	0	0	0	0	0	111.7	K242 I386 T388 L411	G236-K242 PolarHBondContact O-NZ 3.21Å; G236-I386 PolarHBondContact N-O 3Å; G236-T388 WeakPolarHBondContact CA-OG1 3.43Å; G236-T388 PolarHBondContact O-N 2.97Å; G236-T388 PolarHBondContact O-OG1 3.33Å; G236-L411 WeakPolarHBondContact CA-O 3.41Å
237	D	87.4	Confident	91.8	Very high	16 Å²	16	16 Å²	16	9%	0.086	8%	0.083	C	C	.	.			trans	-71.4	172.7	-172.3	-58.1	-58.1	0	0	0	112.8	Q239 T240 K242 T388 A390 G391	D237-Q239 PolarHBondContact O-N 2.88Å; D237-T240 HydrophobicContact CB-CG2 3.91Å; D237-T240 WeakPolarHBondContact O-CG2 2.81Å; D237-T240 PolarHBondContact O-N 2.83Å; D237-T240 PolarHBondContact O-OG1 3.33Å; D237-K242 PolarHBondContact O-NZ 2.8Å; D237-T388 VanDerWaalsContact CG-OG1 3.28Å; D237-T388 PolarHBondContact N-OG1 3.34Å; D237-T388 VanDerWaalsContact N-OG1 3.15Å; D237-T388 VanDerWaalsContact OD1-C 3.26Å; D237-T388 WeakPolarHBondContact OD1-CB 3.42Å; D237-T388 PolarHBondContact OD1-OG1 3.06Å; D237-A390 PolarHBondContact OD1-N 3.43Å; D237-G391 VanDerWaalsContact CG-N 3.28Å; D237-G391 PolarHBondContact OD1-N 2.85Å; D237-G391 WeakPolarHBondContact OD2-CA 3.43Å; D237-G391 PolarHBondContact OD2-N 3.23Å; D237-G391 VanDerWaalsContact OD2-N 3.09Å
238	R	81.4	Confident	91.8	Very high	59 Å²	59	16.3 Å²	16.3	22%	0.223	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	136.2	176.3	-162.9	163.2	168.3	-93.8	0.8	109.7	T240 E387 F902 A903 L905	R238-T240 VanDerWaalsContact C-N 3.3Å; R238-T240 PolarHBondContact O-N 3.18Å; R238-E387 VanDerWaalsContact CA-OE2 3.27Å; R238-E387 WeakPolarHBondContact CA-OE2 3.14Å; R238-E387 WeakPolarHBondContact CD-OE1 3.36Å; R238-F902 PolarHBondContact NH1-O 3.17Å; R238-F902 PolarHBondContact NH2-O 3.35Å; R238-F902 VanDerWaalsContact NH2-O 3.13Å; R238-A903 PolarHBondContact NE-O 3.18Å; R238-A903 PolarHBondContact NH2-O 2.91Å; R238-L905 PolarHBondContact NH1-O 2.87Å; R238-L905 PolarHBondContact NH2-O 3.05Å
239	Q	78.2	Confident	91.8	Very high	102 Å²	102	14.9 Å²	14.9	48%	0.477	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	2	-179.8	-56.6	160.7	110.3	0	0	117.8	D237 G241	D237-Q239 PolarHBondContact O-N 2.88Å; Q239-G241 PolarHBondContact O-N 3.32Å
240	T	85.2	Confident	91.9	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.006	8%	0.076	C	C	.	.	S	Bend	trans	-66	3.9	177.8	55	0	0	0	0	116.1	D237 R238 E413	D237-T240 HydrophobicContact CB-CG2 3.91Å; D237-T240 WeakPolarHBondContact O-CG2 2.81Å; D237-T240 PolarHBondContact O-N 2.83Å; D237-T240 PolarHBondContact O-OG1 3.33Å; R238-T240 VanDerWaalsContact C-N 3.3Å; R238-T240 PolarHBondContact O-N 3.18Å; T240-E413 HydrophobicContact CG2-CB 4.27Å
241	G	86.5	Confident	91.9	Very high	14 Å²	14	15.2 Å²	15.2	14%	0.144	8%	0.079	C	C	.	.	S	Bend	trans	96.7	8	178.6	0	0	0	0	0	116.1	Q239 T243 S244 V245	Q239-G241 PolarHBondContact O-N 3.32Å; G241-T243 PolarHBondContact O-N 2.86Å; G241-S244 WeakPolarHBondContact O-CB 3.47Å; G241-S244 PolarHBondContact O-N 3.17Å; G241-S244 VanDerWaalsContact O-N 3.13Å; G241-V245 PolarHBondContact O-N 3.05Å
242	K	92.9	Very high	91.8	Very high	12 Å²	12	15.3 Å²	15.3	5%	0.052	8%	0.081	C	C	.	.	H	α-helix	trans	-44.7	-58.6	-178.4	-59.5	-167.8	-70	-91.1	0	113	I234 G236 D237 S244 V245 A246 F385 E387 L411	I234-K242 HydrophobicContact CG2-CB 4.19Å; I234-K242 HydrophobicContact CG2-CG 4.13Å; G236-K242 PolarHBondContact O-NZ 3.21Å; D237-K242 PolarHBondContact O-NZ 2.8Å; K242-S244 PolarHBondContact O-N 3.15Å; K242-V245 PolarHBondContact O-N 3.03Å; K242-A246 PolarHBondContact O-N 3.43Å; K242-F385 VanDerWaalsContact C-CZ 3.46Å; K242-F385 HydrophobicContact CB-CD2 3.81Å; K242-F385 HydrophobicContact CB-CE2 3.65Å; K242-F385 HydrophobicContact CB-CG 4.44Å; K242-F385 HydrophobicContact CB-CZ 4.17Å; K242-F385 HydrophobicContact CD-CD2 4.43Å; K242-F385 WeakPolarHBondContact O-CZ 3.27Å; K242-E387 IonicContact NZ-OE2 3.7Å; K242-E387 PolarHBondContact NZ-OE2 2.93Å; K242-L411 HydrophobicContact CB-CD1 4.42Å; K242-L411 HydrophobicContact CG-CD1 4Å
243	T	91.8	Very high	91.7	Very high	28 Å²	28	15.4 Å²	15.4	17%	0.172	8%	0.082	C	C	.	.	H	α-helix	trans	-63.9	-40.2	-178.2	-43.3	0	0	0	0	112.3	G241 V245 A246 I247 Y262 Q275 D328	G241-T243 PolarHBondContact O-N 2.86Å; T243-V245 VanDerWaalsContact C-N 3.33Å; T243-V245 PolarHBondContact O-N 2.93Å; T243-A246 PolarHBondContact O-N 2.81Å; T243-I247 HydrophobicContact CG2-CG1 4.18Å; T243-I247 WeakPolarHBondContact O-CB 3.31Å; T243-I247 VanDerWaalsContact O-CG1 3.28Å; T243-I247 WeakPolarHBondContact O-CG1 3.38Å; T243-I247 PolarHBondContact O-N 3.37Å; T243-Y262 HydrophobicContact CG2-CE2 4.27Å; T243-Y262 WeakPolarHBondContact CG2-OH 3.39Å; T243-Q275 HydrophobicContact CG2-CG 3.97Å; T243-D328 WeakPolarHBondContact CB-OD2 3.3Å; T243-D328 WeakPolarHBondContact CG2-OD2 3.41Å; T243-D328 PolarHBondContact OG1-OD2 2.72Å
244	S	91.1	Very high	91.4	Very high	40 Å²	40	21 Å²	21	28%	0.28	11%	0.106	S	C	.	.	H	α-helix	trans	-59	-43.1	177	-52	0	0	0	0	112.1	G241 K242 A246 I247 D248	G241-S244 WeakPolarHBondContact O-CB 3.47Å; G241-S244 PolarHBondContact O-N 3.17Å; G241-S244 VanDerWaalsContact O-N 3.13Å; K242-S244 PolarHBondContact O-N 3.15Å; S244-A246 PolarHBondContact O-N 3.45Å; S244-I247 PolarHBondContact O-N 3.12Å; S244-D248 WeakPolarHBondContact O-CB 3.47Å; S244-D248 PolarHBondContact O-N 3.31Å
245	V	93	Very high	90.9	Very high	6 Å²	6	24.7 Å²	24.7	4%	0.036	15%	0.145	C	C	.	.	H	α-helix	trans	-60.2	-44.7	176.9	166.7	0	0	0	0	111.7	L217 I220 I234 G241 K242 T243 A249 L411 P422	L217-V245 HydrophobicContact CD1-CB 4.28Å; L217-V245 HydrophobicContact CD1-CG1 3.93Å; L217-V245 HydrophobicContact CD1-CG2 4.29Å; I220-V245 HydrophobicContact CD1-CG1 3.44Å; I220-V245 VanDerWaalsContact CD1-CG1 3.44Å; I234-V245 HydrophobicContact CD1-CB 4.43Å; I234-V245 HydrophobicContact CD1-CG1 3.7Å; G241-V245 PolarHBondContact O-N 3.05Å; K242-V245 PolarHBondContact O-N 3.03Å; T243-V245 VanDerWaalsContact C-N 3.33Å; T243-V245 PolarHBondContact O-N 2.93Å; V245-A249 WeakPolarHBondContact O-CB 3.33Å; V245-A249 PolarHBondContact O-N 3.45Å; V245-L411 HydrophobicContact CG2-CD1 4.39Å; V245-P422 HydrophobicContact CG2-CB 3.9Å
246	A	94	Very high	90.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-75.2	-33.6	-179.2	0	0	0	0	0	113.2	K242 T243 S244 A249 I250 V326 L383 F385	K242-A246 PolarHBondContact O-N 3.43Å; T243-A246 PolarHBondContact O-N 2.81Å; S244-A246 PolarHBondContact O-N 3.45Å; A246-A249 PolarHBondContact O-N 3.26Å; A246-I250 WeakPolarHBondContact O-CG1 3.14Å; A246-I250 PolarHBondContact O-N 2.68Å; A246-V326 HydrophobicContact CB-CB 4.48Å; A246-V326 HydrophobicContact CB-CG1 3.66Å; A246-V326 HydrophobicContact CB-CG2 3.95Å; A246-L383 HydrophobicContact CB-CD1 4.4Å; A246-F385 HydrophobicContact CB-CE1 3.81Å; A246-F385 HydrophobicContact CB-CZ 3.54Å
247	I	94.6	Very high	90.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.2	-45.5	173.2	-67.9	-71.8	0	0	0	110	T243 S244 A249 I250 L251 Q275 T278 L279	T243-I247 HydrophobicContact CG2-CG1 4.18Å; T243-I247 WeakPolarHBondContact O-CB 3.31Å; T243-I247 VanDerWaalsContact O-CG1 3.28Å; T243-I247 WeakPolarHBondContact O-CG1 3.38Å; T243-I247 PolarHBondContact O-N 3.37Å; S244-I247 PolarHBondContact O-N 3.12Å; I247-A249 VanDerWaalsContact C-N 3.31Å; I247-A249 PolarHBondContact O-N 3.17Å; I247-I250 CarbonylContact O-C 3.53Å; I247-I250 WeakPolarHBondContact O-CA 3.32Å; I247-I250 WeakPolarHBondContact O-CB 3.35Å; I247-I250 PolarHBondContact O-N 2.71Å; I247-L251 HydrophobicContact CG2-CG 4.34Å; I247-L251 WeakPolarHBondContact O-CG 3.43Å; I247-L251 PolarHBondContact O-N 3.37Å; I247-Q275 HydrophobicContact CD1-CB 3.98Å; I247-Q275 HydrophobicContact CD1-CG 4.33Å; I247-Q275 HydrophobicContact CG1-CG 4.49Å; I247-T278 HydrophobicContact CG2-CG2 3.88Å; I247-L279 HydrophobicContact CD1-CD1 4.16Å; I247-L279 HydrophobicContact CD1-CD2 4.12Å; I247-L279 HydrophobicContact CD1-CG 4.11Å
248	D	94.3	Very high	90.7	Very high	5 Å²	5	34 Å²	34	3%	0.027	19%	0.191	C	C	.	.	H	α-helix	trans	-63.9	-37.4	177	-72.5	-4.9	0	0	0	111.9	L217 S244 I250 L251 N252 H492	L217-D248 HydrophobicContact CD1-CB 4.26Å; L217-D248 HydrophobicContact CD2-CB 4.31Å; L217-D248 HydrophobicContact CG-CB 4.43Å; S244-D248 WeakPolarHBondContact O-CB 3.47Å; S244-D248 PolarHBondContact O-N 3.31Å; D248-I250 PolarHBondContact O-N 3.36Å; D248-L251 PolarHBondContact O-N 3.4Å; D248-N252 PolarHBondContact O-N 2.81Å; D248-H492 VanDerWaalsContact CG-N 3.3Å; D248-H492 WeakPolarHBondContact OD1-CA 3.24Å; D248-H492 IonicContact OD1-CE1 2.73Å; D248-H492 IonicContact OD1-CG 2.77Å; D248-H492 PolarHBondContact OD1-N 3.29Å; D248-H492 IonicContact OD1-ND1 3.18Å; D248-H492 PolarHBondContact OD1-ND1 3.16Å; D248-H492 PolarHBondContact OD2-N 3.01Å
249	A	95.2	Very high	91.5	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.008	18%	0.184	C	C	.	.	H	α-helix	trans	-61.3	-39.8	170	0	0	0	0	0	112.6	T215 V245 A246 I247 Q253 L324 L383	T215-A249 HydrophobicContact CG2-CB 4.13Å; T215-A249 WeakPolarHBondContact O-CA 3.35Å; V245-A249 WeakPolarHBondContact O-CB 3.33Å; V245-A249 PolarHBondContact O-N 3.45Å; A246-A249 PolarHBondContact O-N 3.26Å; I247-A249 VanDerWaalsContact C-N 3.31Å; I247-A249 PolarHBondContact O-N 3.17Å; A249-Q253 WeakPolarHBondContact O-CG 3.22Å; A249-Q253 PolarHBondContact O-NE2 2.87Å; A249-L324 HydrophobicContact CB-CD2 4.45Å; A249-L383 HydrophobicContact CB-CD1 4.43Å
250	I	96.3	Very high	92.4	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.4	-48.9	172.4	-71.1	166.9	0	0	0	110.6	A246 I247 D248 N252 Q253 C260 L279 A284 Y287 T288 L324 V326	A246-I250 WeakPolarHBondContact O-CG1 3.14Å; A246-I250 PolarHBondContact O-N 2.68Å; I247-I250 CarbonylContact O-C 3.53Å; I247-I250 WeakPolarHBondContact O-CA 3.32Å; I247-I250 WeakPolarHBondContact O-CB 3.35Å; I247-I250 PolarHBondContact O-N 2.71Å; D248-I250 PolarHBondContact O-N 3.36Å; I250-N252 PolarHBondContact O-N 3.33Å; I250-Q253 WeakPolarHBondContact O-CB 3.43Å; I250-Q253 PolarHBondContact O-N 3.32Å; I250-C260 HydrophobicContact CG1-CB 4.08Å; I250-C260 HydrophobicContact CG2-CB 3.89Å; I250-L279 HydrophobicContact CB-CD2 4.31Å; I250-L279 HydrophobicContact CG2-CD2 3.55Å; I250-A284 HydrophobicContact CG2-CB 4.35Å; I250-Y287 HydrophobicContact CG2-CE2 4.24Å; I250-Y287 WeakPolarHBondContact O-CE2 3.45Å; I250-Y287 PolarHBondContact O-OH 3Å; I250-T288 WeakPolarHBondContact CG2-OG1 3.46Å; I250-L324 HydrophobicContact CG1-CD2 3.98Å; I250-V326 HydrophobicContact CD1-CG2 3.99Å; I250-V326 HydrophobicContact CG1-CG2 4.46Å
251	L	95.1	Very high	93	Very high	13 Å²	13	27 Å²	27	7%	0.068	16%	0.161	C	C	.	.	H	α-helix	trans	-54.8	-38.1	179.4	-65.4	-168.8	0	0	0	112.1	I247 D248 Q253 K254 L279 Y282 A284 Y287 H492 P494	I247-L251 HydrophobicContact CG2-CG 4.34Å; I247-L251 WeakPolarHBondContact O-CG 3.43Å; I247-L251 PolarHBondContact O-N 3.37Å; D248-L251 PolarHBondContact O-N 3.4Å; L251-Q253 PolarHBondContact O-N 2.79Å; L251-K254 PolarHBondContact O-N 3.38Å; L251-L279 HydrophobicContact CD2-CD2 4.19Å; L251-Y282 HydrophobicContact CD1-CD1 4.34Å; L251-Y282 HydrophobicContact CD1-CD2 3.93Å; L251-Y282 HydrophobicContact CD1-CE2 4.44Å; L251-Y282 HydrophobicContact CD1-CG 3.9Å; L251-Y282 HydrophobicContact CD2-CD2 4.38Å; L251-Y282 HydrophobicContact CD2-CG 4.18Å; L251-A284 HydrophobicContact CD2-CB 3.47Å; L251-A284 VanDerWaalsContact CD2-CB 3.47Å; L251-Y287 PolarHBondContact O-OH 3.46Å; L251-H492 HydrophobicContact CD1-CB 3.98Å; L251-P494 HydrophobicContact CB-CG 4.13Å
252	N	94.9	Very high	93.6	Very high	21 Å²	21	26.4 Å²	26.4	11%	0.112	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-12.1	178.9	-161.2	64	0	0	0	114.3	Q214 T215 G216 D248 I250 K254 Q256 P494	Q214-N252 WeakPolarHBondContact CB-ND2 3.18Å; Q214-N252 PolarHBondContact O-ND2 2.85Å; T215-N252 WeakPolarHBondContact O-CB 3.13Å; G216-N252 PolarHBondContact N-ND2 2.88Å; D248-N252 PolarHBondContact O-N 2.81Å; I250-N252 PolarHBondContact O-N 3.33Å; N252-K254 PolarHBondContact O-N 3.28Å; N252-Q256 WeakPolarHBondContact O-CG 3.41Å; N252-P494 HydrophobicContact CB-CB 3.83Å; N252-P494 HydrophobicContact CB-CG 4.39Å
253	Q	94.9	Very high	93.8	Very high	3 Å²	3	25.8 Å²	25.8	1%	0.014	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-3.6	175.9	-58.1	-35.8	-66.2	0	0	113.5	Q214 A249 I250 L251 G255 Q256 M258 Y287 L324	Q214-Q253 PolarHBondContact O-NE2 3.4Å; A249-Q253 WeakPolarHBondContact O-CG 3.22Å; A249-Q253 PolarHBondContact O-NE2 2.87Å; I250-Q253 WeakPolarHBondContact O-CB 3.43Å; I250-Q253 PolarHBondContact O-N 3.32Å; L251-Q253 PolarHBondContact O-N 2.79Å; Q253-G255 PolarHBondContact O-N 2.86Å; Q253-Q256 WeakPolarHBondContact O-CB 3.35Å; Q253-Q256 PolarHBondContact O-N 2.95Å; Q253-M258 HydrophobicContact CB-CB 3.88Å; Q253-M258 HydrophobicContact CB-CG 4.48Å; Q253-M258 HydrophobicContact CG-CB 4.18Å; Q253-M258 HydrophobicContact CG-CG 4.46Å; Q253-Y287 HydrophobicContact CB-CE2 3.98Å; Q253-L324 HydrophobicContact CG-CD2 4.02Å
254	K	91.2	Very high	94.1	Very high	117 Å²	117	24.5 Å²	24.5	51%	0.509	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	110.5	179.1	-164.7	164.1	-165.8	169.8	0	111.5	L251 N252 Y282 G283 Y287	L251-K254 PolarHBondContact O-N 3.38Å; N252-K254 PolarHBondContact O-N 3.28Å; K254-Y282 PolarHBondContact NZ-O 2.92Å; K254-G283 WeakPolarHBondContact CE-O 3.29Å; K254-G283 PolarHBondContact NZ-O 2.81Å; K254-G283 VanDerWaalsContact NZ-O 3.16Å; K254-Y287 HydrophobicContact CB-CE1 3.88Å; K254-Y287 HydrophobicContact CG-CE1 3.93Å; K254-Y287 PolarHBondContact N-OH 3.14Å
255	G	85.6	Confident	94.3	Very high	79 Å²	79	22.6 Å²	22.6	81%	0.814	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.8	6.6	-177.9	0	0	0	0	0	115.7	Q253 D257	Q253-G255 PolarHBondContact O-N 2.86Å; G255-D257 VanDerWaalsContact C-N 3.33Å; G255-D257 PolarHBondContact O-N 2.83Å
256	Q	87.4	Confident	94.2	Very high	89 Å²	89	22.8 Å²	22.8	42%	0.416	13%	0.134	S	C	.	.	S	Bend	trans	-88.6	10.3	-178	-60.9	-63.8	-27.2	0	0	114.4	R228 N252 Q253 M258	R228-Q256 PolarHBondContact NH2-O 2.78Å; N252-Q256 WeakPolarHBondContact O-CG 3.41Å; Q253-Q256 WeakPolarHBondContact O-CB 3.35Å; Q253-Q256 PolarHBondContact O-N 2.95Å; Q256-M258 HydrophobicContact CB-CG 4.08Å
257	D	88.5	Confident	94.1	Very high	116 Å²	116	23.9 Å²	23.9	62%	0.62	14%	0.139	S	C	*	.	S	Bend	trans	48.7	66.4	-169.7	-166.6	30.6	0	0	0	112.4	R228 G255	R228-D257 PolarHBondContact NH1-O 3.09Å; G255-D257 VanDerWaalsContact C-N 3.33Å; G255-D257 PolarHBondContact O-N 2.83Å
258	M	93.3	Very high	93.6	Very high	8 Å²	8	24.7 Å²	24.7	4%	0.039	14%	0.143	C	C	.	.			trans	-146	128	-171.1	-78.2	-72.1	-52	0	0	109	L213 R228 Q253 Q256 H322 V323 L324	L213-M258 HydrophobicContact CD1-CE 3.51Å; L213-M258 HydrophobicContact CD1-SD 4.43Å; R228-M258 VanDerWaalsContact CZ-SD 3.58Å; Q253-M258 HydrophobicContact CB-CB 3.88Å; Q253-M258 HydrophobicContact CB-CG 4.48Å; Q253-M258 HydrophobicContact CG-CB 4.18Å; Q253-M258 HydrophobicContact CG-CG 4.46Å; Q256-M258 HydrophobicContact CB-CG 4.08Å; M258-H322 WeakPolarHBondContact CA-O 3.44Å; M258-H322 HydrophobicContact CE-CB 4.48Å; M258-H322 HydrophobicContact SD-CB 3.34Å; M258-H322 WeakPolarHBondContact SD-CB 3.33Å; M258-V323 VanDerWaalsContact CE-C 3.5Å; M258-L324 HydrophobicContact CE-CB 3.66Å
259	I	96.8	Very high	93.2	Very high	15 Å²	15	26 Å²	26	8%	0.077	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	142.2	165.9	-55.2	-54.8	0	0	0	108.4	I171 F316 K321 H322 V323 L324	I171-I259 HydrophobicContact CD1-CD1 3.87Å; I259-F316 HydrophobicContact CB-CG 4.48Å; I259-F316 HydrophobicContact CG1-CB 4.47Å; I259-F316 HydrophobicContact CG1-CD1 4.08Å; I259-F316 HydrophobicContact CG1-CE1 4.49Å; I259-F316 HydrophobicContact CG1-CG 4.12Å; I259-F316 HydrophobicContact CG2-CD2 4.05Å; I259-F316 HydrophobicContact CG2-CE2 4.06Å; I259-F316 HydrophobicContact CG2-CG 4.42Å; I259-F316 HydrophobicContact CG2-CZ 4.42Å; I259-K321 HydrophobicContact CG1-CD 4.39Å; I259-H322 PolarHBondContact N-O 2.62Å; I259-V323 HydrophobicContact CB-CG2 4.5Å; I259-V323 CarbonylContact O-C 3.54Å; I259-V323 WeakPolarHBondContact O-CA 3.32Å; I259-L324 PolarHBondContact O-N 2.86Å
260	C	97.9	Very high	92.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	145.4	175.5	-67.1	0	0	0	0	110.8	I250 Y287 T288 I289 L324	I250-C260 HydrophobicContact CG1-CB 4.08Å; I250-C260 HydrophobicContact CG2-CB 3.89Å; C260-Y287 HydrophobicContact CB-CD2 4.3Å; C260-Y287 PolarHBondContact N-O 3.3Å; C260-T288 HydrophobicContact CB-CG2 3.99Å; C260-T288 WeakPolarHBondContact CB-OG1 3.41Å; C260-T288 CarbonylContact O-C 3.51Å; C260-T288 VanDerWaalsContact O-CA 3.28Å; C260-T288 WeakPolarHBondContact O-CA 3.48Å; C260-I289 PolarHBondContact O-N 3.42Å; C260-L324 CarbonylContact C-O 3.58Å; C260-L324 WeakPolarHBondContact CA-O 3.41Å
261	I	98.1	Very high	92.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	120.5	171.7	-54.2	-167.9	0	0	0	108.7	V263 I289 V291 M312 A313 V323 L324 I325 V326	I261-V263 HydrophobicContact CG2-CG2 3.96Å; I261-I289 CarbonylContact C-O 3.49Å; I261-I289 VanDerWaalsContact CA-O 3.3Å; I261-I289 WeakPolarHBondContact CA-O 3.3Å; I261-I289 HydrophobicContact CD1-CD1 4.05Å; I261-I289 HydrophobicContact CG1-CB 4.18Å; I261-I289 HydrophobicContact CG1-CD1 4.28Å; I261-I289 HydrophobicContact CG1-CG1 4.42Å; I261-I289 HydrophobicContact CG2-CB 4.46Å; I261-V291 HydrophobicContact CG2-CG2 4.27Å; I261-M312 HydrophobicContact CD1-CB 3.83Å; I261-A313 HydrophobicContact CD1-CB 3.91Å; I261-V323 HydrophobicContact CD1-CG1 4.38Å; I261-V323 HydrophobicContact CG1-CG1 4.16Å; I261-L324 PolarHBondContact N-O 3.37Å; I261-I325 HydrophobicContact CB-CB 4.42Å; I261-I325 HydrophobicContact CB-CD1 4.26Å; I261-I325 HydrophobicContact CB-CG1 4.07Å; I261-I325 HydrophobicContact CG2-CD1 4.14Å; I261-I325 HydrophobicContact CG2-CG1 4.24Å; I261-I325 CarbonylContact O-C 3.54Å; I261-I325 WeakPolarHBondContact O-CA 3.5Å; I261-V326 PolarHBondContact O-N 3.37Å
262	Y	98.1	Very high	91.9	Very high	1 Å²	1	29 Å²	29	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	112.1	175.7	176.8	-107.4	0	0	0	109.1	T243 A264 Q275 I289 V290 V291 V326 D328	T243-Y262 HydrophobicContact CG2-CE2 4.27Å; T243-Y262 WeakPolarHBondContact CG2-OH 3.39Å; Y262-A264 HydrophobicContact CE1-CB 4Å; Y262-Q275 HydrophobicContact CE1-CB 4.41Å; Y262-I289 PolarHBondContact N-O 2.92Å; Y262-V290 HydrophobicContact CD1-CG1 4.02Å; Y262-V290 WeakPolarHBondContact O-CA 3.26Å; Y262-V291 PolarHBondContact O-N 2.86Å; Y262-V326 HydrophobicContact CD2-CB 3.99Å; Y262-V326 HydrophobicContact CD2-CG1 3.9Å; Y262-V326 HydrophobicContact CE2-CG1 4.17Å; Y262-D328 HydrophobicContact CE2-CB 3.99Å; Y262-D328 PolarHBondContact OH-OD2 2.79Å
263	V	98.2	Very high	91.6	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	101.8	-178.8	-169.9	0	0	0	0	109.2	I261 I265 V291 A305 I325 V326 Y327 D328	I261-V263 HydrophobicContact CG2-CG2 3.96Å; V263-I265 HydrophobicContact CG1-CD1 4.3Å; V263-I265 HydrophobicContact CG1-CG1 3.91Å; V263-V291 CarbonylContact C-O 3.58Å; V263-V291 WeakPolarHBondContact CA-O 3.48Å; V263-V291 HydrophobicContact CG1-CB 4.22Å; V263-V291 HydrophobicContact CG1-CG1 4.34Å; V263-V291 HydrophobicContact CG2-CB 4.32Å; V263-A305 HydrophobicContact CG1-CB 4Å; V263-A305 WeakPolarHBondContact CG1-O 3.41Å; V263-I325 HydrophobicContact CG2-CD1 4.03Å; V263-I325 HydrophobicContact CG2-CG1 4.11Å; V263-V326 WeakPolarHBondContact CB-O 3.41Å; V263-V326 PolarHBondContact N-O 2.91Å; V263-Y327 HydrophobicContact CB-CD1 4.07Å; V263-Y327 HydrophobicContact CG1-CD1 4.48Å; V263-Y327 HydrophobicContact CG2-CD1 4.06Å; V263-Y327 HydrophobicContact CG2-CE1 4.35Å; V263-D328 PolarHBondContact O-N 2.68Å
264	A	96.8	Very high	91.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	123.3	174.2	0	0	0	0	0	110.4	Y262 Q267 V272 V291 A293	Y262-A264 HydrophobicContact CE1-CB 4Å; A264-Q267 HydrophobicContact CB-CB 4.31Å; A264-Q267 HydrophobicContact CB-CG 4.05Å; A264-V272 HydrophobicContact CB-CG1 4.3Å; A264-V272 HydrophobicContact CB-CG2 3.52Å; A264-V291 PolarHBondContact N-O 3.21Å; A264-A293 PolarHBondContact O-N 2.88Å
265	I	96.3	Very high	91.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	115	-170.8	-50.2	149.5	0	0	0	107.5	V263 Q267 A293 L302 A305 P306 D328 D329 L330 K332 Q333	V263-I265 HydrophobicContact CG1-CD1 4.3Å; V263-I265 HydrophobicContact CG1-CG1 3.91Å; I265-Q267 PolarHBondContact O-N 3.09Å; I265-A293 CarbonylContact C-O 3.52Å; I265-L302 HydrophobicContact CG2-CB 4.24Å; I265-A305 HydrophobicContact CG1-CB 4.48Å; I265-P306 HydrophobicContact CD1-CG 3.61Å; I265-P306 HydrophobicContact CG1-CG 4.07Å; I265-D328 PolarHBondContact N-O 3.3Å; I265-D329 WeakPolarHBondContact CD1-O 3.26Å; I265-L330 HydrophobicContact CD1-CD2 4.09Å; I265-K332 HydrophobicContact CG2-CB 4.26Å; I265-K332 WeakPolarHBondContact O-CD 3.3Å; I265-Q333 HydrophobicContact CG2-CB 4.3Å
266	G	91	Very high	91.7	Very high	10 Å²	10	23.8 Å²	23.8	10%	0.103	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	57.9	27	-177.7	0	0	0	0	0	114.4	A293 K332	G266-A293 PolarHBondContact N-O 3.41Å; G266-K332 WeakPolarHBondContact O-CD 3.48Å; G266-K332 WeakPolarHBondContact O-CE 3.22Å
267	Q	91	Very high	91.9	Very high	23 Å²	23	22.3 Å²	22.3	11%	0.107	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	161.6	177	-61.2	-62.2	-21.4	0	0	111.1	A264 I265 V272 S294 A295 D328	A264-Q267 HydrophobicContact CB-CB 4.31Å; A264-Q267 HydrophobicContact CB-CG 4.05Å; I265-Q267 PolarHBondContact O-N 3.09Å; Q267-V272 HydrophobicContact CB-CG2 3.76Å; Q267-S294 WeakPolarHBondContact O-CA 3.42Å; Q267-A295 PolarHBondContact O-N 2.89Å; Q267-D328 VanDerWaalsContact CG-O 3.24Å; Q267-D328 WeakPolarHBondContact CG-O 3.42Å; Q267-D328 VanDerWaalsContact NE2-C 3.26Å; Q267-D328 PolarHBondContact NE2-O 3.46Å; Q267-D328 PolarHBondContact NE2-OD1 3.24Å
268	K	85.3	Confident	92	Very high	17 Å²	17	17.6 Å²	17.6	7%	0.074	10%	0.096	C	C	.	.			trans	-66.4	137.5	169.2	-56.7	-169.1	173	179.7	0	110.4	S270 T271 V272 E870 H904 D906	K268-S270 VanDerWaalsContact C-N 3.29Å; K268-S270 PolarHBondContact O-N 2.72Å; K268-T271 WeakPolarHBondContact O-CB 3.46Å; K268-T271 PolarHBondContact O-N 2.91Å; K268-V272 PolarHBondContact O-N 3.14Å; K268-E870 WeakPolarHBondContact CA-OE2 3.48Å; K268-E870 VanDerWaalsContact CB-OE2 3.22Å; K268-E870 WeakPolarHBondContact CB-OE2 3.08Å; K268-E870 WeakPolarHBondContact CG-OE1 3.22Å; K268-H904 WeakPolarHBondContact CE-O 3.2Å; K268-H904 PolarHBondContact NZ-O 2.91Å; K268-D906 IonicContact NZ-OD1 2.77Å; K268-D906 PolarHBondContact NZ-OD1 3.24Å; K268-D906 IonicContact NZ-OD2 2.71Å; K268-D906 PolarHBondContact NZ-OD2 2.82Å
269	E	86.1	Confident	92.1	Very high	32 Å²	32	17.2 Å²	17.2	15%	0.15	10%	0.095	C	C	.	.	H	α-helix	trans	-63.9	-36.4	179.9	-70.6	-165.9	-157.6	0	0	112.2	T271 V272 R273 S294 L708 E870	E269-T271 VanDerWaalsContact C-N 3.32Å; E269-T271 PolarHBondContact O-N 3.49Å; E269-V272 PolarHBondContact O-N 3.39Å; E269-R273 WeakPolarHBondContact O-CB 3.32Å; E269-R273 PolarHBondContact O-N 2.82Å; E269-S294 WeakPolarHBondContact OE1-CB 3.33Å; E269-S294 PolarHBondContact OE1-OG 2.82Å; E269-L708 HydrophobicContact CB-CD1 3.85Å; E269-E870 PolarHBondContact N-OE2 2.94Å
270	S	81.2	Confident	91.9	Very high	32 Å²	32	21.4 Å²	21.4	22%	0.224	11%	0.109	C	C	.	.	H	α-helix	trans	-62.7	-37	173.2	55.5	0	0	0	0	112.6	K268 R273 T274	K268-S270 VanDerWaalsContact C-N 3.29Å; K268-S270 PolarHBondContact O-N 2.72Å; S270-R273 PolarHBondContact O-N 3.47Å; S270-T274 PolarHBondContact O-N 3.34Å; S270-T274 PolarHBondContact O-OG1 2.88Å; S270-T274 VanDerWaalsContact O-OG1 3.11Å
271	T	85.5	Confident	91.6	Very high	45 Å²	45	28.7 Å²	28.7	28%	0.276	14%	0.141	S	C	.	.	H	α-helix	trans	-68.5	-43.8	175.3	-59.7	0	0	0	0	111.4	K268 E269 R273 T274 Q275	K268-T271 WeakPolarHBondContact O-CB 3.46Å; K268-T271 PolarHBondContact O-N 2.91Å; E269-T271 VanDerWaalsContact C-N 3.32Å; E269-T271 PolarHBondContact O-N 3.49Å; T271-R273 VanDerWaalsContact C-N 3.3Å; T271-R273 PolarHBondContact O-N 3.46Å; T271-T274 PolarHBondContact O-N 3.27Å; T271-Q275 WeakPolarHBondContact O-CG 3.46Å; T271-Q275 PolarHBondContact O-N 2.78Å
272	V	91.2	Very high	91.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.4	-40.9	174.4	-178.8	0	0	0	0	110.6	A264 Q267 K268 E269 Q275 V276 V290 F705	A264-V272 HydrophobicContact CB-CG1 4.3Å; A264-V272 HydrophobicContact CB-CG2 3.52Å; Q267-V272 HydrophobicContact CB-CG2 3.76Å; K268-V272 PolarHBondContact O-N 3.14Å; E269-V272 PolarHBondContact O-N 3.39Å; V272-Q275 PolarHBondContact O-N 3.24Å; V272-V276 HydrophobicContact CG1-CG2 4.45Å; V272-V276 WeakPolarHBondContact O-CG2 3.32Å; V272-V276 PolarHBondContact O-N 3.33Å; V272-V290 HydrophobicContact CG1-CG1 4.28Å; V272-F705 HydrophobicContact CB-CE2 4.13Å; V272-F705 HydrophobicContact CG1-CE2 3.96Å
273	R	88.9	Confident	91	Very high	23 Å²	23	33.2 Å²	33.2	9%	0.087	16%	0.162	C	C	.	.	H	α-helix	trans	-61.4	-46.3	176.9	-168.8	-173	-173.5	149.8	-5.3	112.5	E269 S270 T271 Q275 V276 E277 F705 D706 L708 T710	E269-R273 WeakPolarHBondContact O-CB 3.32Å; E269-R273 PolarHBondContact O-N 2.82Å; S270-R273 PolarHBondContact O-N 3.47Å; T271-R273 VanDerWaalsContact C-N 3.3Å; T271-R273 PolarHBondContact O-N 3.46Å; R273-Q275 PolarHBondContact O-N 2.76Å; R273-V276 PolarHBondContact O-N 3.2Å; R273-V276 VanDerWaalsContact O-N 3.07Å; R273-E277 HydrophobicContact CG-CG 4.4Å; R273-E277 PolarHBondContact O-N 2.92Å; R273-F705 HydrophobicContact CB-CD2 4.31Å; R273-F705 HydrophobicContact CB-CE2 3.69Å; R273-F705 HydrophobicContact CB-CZ 3.83Å; R273-F705 WeakPolarHBondContact CD-O 3.46Å; R273-F705 HydrophobicContact CG-CE1 4.31Å; R273-F705 HydrophobicContact CG-CE2 4.31Å; R273-F705 HydrophobicContact CG-CZ 4.01Å; R273-F705 PolarHBondContact NH1-O 3.21Å; R273-D706 VanDerWaalsContact NH1-CA 3.26Å; R273-D706 PolarHBondContact NH1-O 2.79Å; R273-D706 PolarHBondContact NH2-O 3.24Å; R273-L708 VanDerWaalsContact CZ-O 3.29Å; R273-L708 PolarHBondContact NH1-O 3.16Å; R273-T710 HydrophobicContact CG-CG2 4.13Å
274	T	88.3	Confident	90.8	Very high	63 Å²	63	33.2 Å²	33.2	39%	0.387	16%	0.162	S	C	.	.	H	α-helix	trans	-57.1	-39.2	175.6	-62.8	0	0	0	0	111.5	S270 T271 T278	S270-T274 PolarHBondContact O-N 3.34Å; S270-T274 PolarHBondContact O-OG1 2.88Å; S270-T274 VanDerWaalsContact O-OG1 3.11Å; T271-T274 PolarHBondContact O-N 3.27Å; T274-T278 WeakPolarHBondContact O-CB 3.25Å; T274-T278 PolarHBondContact O-N 3.35Å; T274-T278 PolarHBondContact O-OG1 3.19Å
275	Q	92.3	Very high	90.7	Very high	26 Å²	26	33.7 Å²	33.7	12%	0.121	17%	0.165	C	C	.	.	H	α-helix	trans	-68.4	-40.3	173.7	-54.6	-41.6	-34.4	0	0	112.9	T243 I247 Y262 T271 V272 R273 T278 L279	T243-Q275 HydrophobicContact CG2-CG 3.97Å; I247-Q275 HydrophobicContact CD1-CB 3.98Å; I247-Q275 HydrophobicContact CD1-CG 4.33Å; I247-Q275 HydrophobicContact CG1-CG 4.49Å; Y262-Q275 HydrophobicContact CE1-CB 4.41Å; T271-Q275 WeakPolarHBondContact O-CG 3.46Å; T271-Q275 PolarHBondContact O-N 2.78Å; V272-Q275 PolarHBondContact O-N 3.24Å; R273-Q275 PolarHBondContact O-N 2.76Å; Q275-T278 PolarHBondContact O-N 3.13Å; Q275-L279 WeakPolarHBondContact O-CB 3.45Å; Q275-L279 VanDerWaalsContact O-CG 3.3Å; Q275-L279 WeakPolarHBondContact O-CG 3.44Å; Q275-L279 PolarHBondContact O-N 3.4Å
276	V	93.1	Very high	90.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63.5	-42.4	176.7	169.9	0	0	0	0	111.9	V174 V272 R273 L279 R280 L285 V290 F705	V174-V276 HydrophobicContact CG2-CG1 3.96Å; V174-V276 HydrophobicContact CG2-CG2 3.82Å; V272-V276 HydrophobicContact CG1-CG2 4.45Å; V272-V276 WeakPolarHBondContact O-CG2 3.32Å; V272-V276 PolarHBondContact O-N 3.33Å; R273-V276 PolarHBondContact O-N 3.2Å; R273-V276 VanDerWaalsContact O-N 3.07Å; V276-L279 PolarHBondContact O-N 3.25Å; V276-R280 WeakPolarHBondContact O-CB 3.43Å; V276-R280 PolarHBondContact O-N 2.8Å; V276-L285 HydrophobicContact CG1-CD2 4.48Å; V276-V290 HydrophobicContact CG2-CB 4.43Å; V276-V290 HydrophobicContact CG2-CG1 4.18Å; V276-V290 HydrophobicContact CG2-CG2 4.1Å; V276-F705 HydrophobicContact CB-CZ 4.14Å; V276-F705 HydrophobicContact CG1-CZ 4.47Å; V276-F705 HydrophobicContact CG2-CZ 3.96Å
277	E	91.4	Very high	90.8	Very high	58 Å²	58	40.3 Å²	40.3	27%	0.271	20%	0.196	S	C	.	.	H	α-helix	trans	-67.8	-35.8	175.1	-64.2	-56.4	160.5	0	0	112.1	R273 R280 K281 T710	R273-E277 HydrophobicContact CG-CG 4.4Å; R273-E277 PolarHBondContact O-N 2.92Å; E277-R280 PolarHBondContact O-N 2.81Å; E277-R280 IonicContact OE1-CZ 3.05Å; E277-R280 IonicContact OE1-NH1 2.7Å; E277-R280 PolarHBondContact OE1-NH1 2.8Å; E277-R280 IonicContact OE2-CZ 2.78Å; E277-R280 IonicContact OE2-NE 2.79Å; E277-R280 IonicContact OE2-NH1 3.3Å; E277-R280 PolarHBondContact OE2-NH1 2.66Å; E277-K281 WeakPolarHBondContact O-CB 3.3Å; E277-K281 PolarHBondContact O-N 2.92Å; E277-T710 HydrophobicContact CG-CG2 4.16Å
278	T	91.4	Very high	91.2	Very high	17 Å²	17	39.2 Å²	39.2	10%	0.104	19%	0.191	C	C	.	.	H	α-helix	trans	-61.4	-51.4	170.3	-75	0	0	0	0	111.2	I247 T274 Q275 R280 K281 Y282 H492	I247-T278 HydrophobicContact CG2-CG2 3.88Å; T274-T278 WeakPolarHBondContact O-CB 3.25Å; T274-T278 PolarHBondContact O-N 3.35Å; T274-T278 PolarHBondContact O-OG1 3.19Å; Q275-T278 PolarHBondContact O-N 3.13Å; T278-R280 PolarHBondContact O-N 2.71Å; T278-K281 WeakPolarHBondContact O-CB 3.44Å; T278-K281 PolarHBondContact O-N 2.69Å; T278-K281 VanDerWaalsContact O-N 3.17Å; T278-Y282 HydrophobicContact CG2-CD2 4.06Å; T278-Y282 HydrophobicContact CG2-CE2 4.21Å; T278-Y282 VanDerWaalsContact O-CD2 3.31Å; T278-Y282 WeakPolarHBondContact O-CD2 3.47Å; T278-Y282 PolarHBondContact O-N 3.19Å; T278-Y282 VanDerWaalsContact O-N 3.11Å; T278-H492 WeakPolarHBondContact CG2-NE2 3.04Å
279	L	94.2	Very high	91.8	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-58.3	-36.8	177.1	-70.5	170.6	0	0	0	111.7	I247 I250 L251 Q275 V276 G283 A284 L285 T288 V290	I247-L279 HydrophobicContact CD1-CD1 4.16Å; I247-L279 HydrophobicContact CD1-CD2 4.12Å; I247-L279 HydrophobicContact CD1-CG 4.11Å; I250-L279 HydrophobicContact CB-CD2 4.31Å; I250-L279 HydrophobicContact CG2-CD2 3.55Å; L251-L279 HydrophobicContact CD2-CD2 4.19Å; Q275-L279 WeakPolarHBondContact O-CB 3.45Å; Q275-L279 VanDerWaalsContact O-CG 3.3Å; Q275-L279 WeakPolarHBondContact O-CG 3.44Å; Q275-L279 PolarHBondContact O-N 3.4Å; V276-L279 PolarHBondContact O-N 3.25Å; L279-G283 PolarHBondContact O-N 2.84Å; L279-A284 HydrophobicContact CD2-CB 3.86Å; L279-A284 WeakPolarHBondContact O-CA 3.32Å; L279-A284 PolarHBondContact O-N 2.86Å; L279-L285 HydrophobicContact CB-CB 4.3Å; L279-L285 PolarHBondContact O-N 3.12Å; L279-T288 HydrophobicContact CD1-CG2 4.12Å; L279-V290 HydrophobicContact CD1-CG2 4.23Å
280	R	93.2	Very high	92.3	Very high	103 Å²	103	36.9 Å²	36.9	39%	0.389	18%	0.18	S	C	.	.	H	α-helix	trans	-68.2	-48.7	174.2	-168.7	-178.2	-66	149.7	-2.5	112.1	V276 E277 T278 Y282 G283 L285	V276-R280 WeakPolarHBondContact O-CB 3.43Å; V276-R280 PolarHBondContact O-N 2.8Å; E277-R280 PolarHBondContact O-N 2.81Å; E277-R280 IonicContact OE1-CZ 3.05Å; E277-R280 IonicContact OE1-NH1 2.7Å; E277-R280 PolarHBondContact OE1-NH1 2.8Å; E277-R280 IonicContact OE2-CZ 2.78Å; E277-R280 IonicContact OE2-NE 2.79Å; E277-R280 IonicContact OE2-NH1 3.3Å; E277-R280 PolarHBondContact OE2-NH1 2.66Å; T278-R280 PolarHBondContact O-N 2.71Å; R280-Y282 VanDerWaalsContact C-N 3.28Å; R280-Y282 PolarHBondContact O-N 2.83Å; R280-G283 PolarHBondContact O-N 2.84Å; R280-L285 HydrophobicContact CB-CB 4.49Å; R280-L285 HydrophobicContact CB-CD2 3.96Å; R280-L285 HydrophobicContact CG-CD2 4.19Å
281	K	91.6	Very high	93.1	Very high	153 Å²	153	35.4 Å²	35.4	67%	0.665	17%	0.169	S	C	*	.	H	α-helix	trans	-55	-39.3	-179.8	173.6	-173.1	172.8	-164.5	0	113	E277 T278	E277-K281 WeakPolarHBondContact O-CB 3.3Å; E277-K281 PolarHBondContact O-N 2.92Å; T278-K281 WeakPolarHBondContact O-CB 3.44Å; T278-K281 PolarHBondContact O-N 2.69Å; T278-K281 VanDerWaalsContact O-N 3.17Å
282	Y	91.7	Very high	93.6	Very high	85 Å²	85	33.6 Å²	33.6	33%	0.333	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	0.2	178.7	-69.4	-83.2	0	0	0	113.6	L251 K254 T278 R280 H492	L251-Y282 HydrophobicContact CD1-CD1 4.34Å; L251-Y282 HydrophobicContact CD1-CD2 3.93Å; L251-Y282 HydrophobicContact CD1-CE2 4.44Å; L251-Y282 HydrophobicContact CD1-CG 3.9Å; L251-Y282 HydrophobicContact CD2-CD2 4.38Å; L251-Y282 HydrophobicContact CD2-CG 4.18Å; K254-Y282 PolarHBondContact NZ-O 2.92Å; T278-Y282 HydrophobicContact CG2-CD2 4.06Å; T278-Y282 HydrophobicContact CG2-CE2 4.21Å; T278-Y282 VanDerWaalsContact O-CD2 3.31Å; T278-Y282 WeakPolarHBondContact O-CD2 3.47Å; T278-Y282 PolarHBondContact O-N 3.19Å; T278-Y282 VanDerWaalsContact O-N 3.11Å; R280-Y282 VanDerWaalsContact C-N 3.28Å; R280-Y282 PolarHBondContact O-N 2.83Å; Y282-H492 HydrophobicContact CE1-CB 4.29Å; Y282-H492 HydrophobicContact CE2-CB 3.82Å
283	G	92.2	Very high	93.7	Very high	11 Å²	11	33.6 Å²	33.6	11%	0.113	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	47.3	-175.7	0	0	0	0	0	112.1	K254 L279 R280	K254-G283 WeakPolarHBondContact CE-O 3.29Å; K254-G283 PolarHBondContact NZ-O 2.81Å; K254-G283 VanDerWaalsContact NZ-O 3.16Å; L279-G283 PolarHBondContact O-N 2.84Å; R280-G283 PolarHBondContact O-N 2.84Å
284	A	95	Very high	93.8	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.154	C	C	.	.			trans	-106.3	-23.1	172	0	0	0	0	0	112.5	I250 L251 L279 D286 Y287 T288	I250-A284 HydrophobicContact CG2-CB 4.35Å; L251-A284 HydrophobicContact CD2-CB 3.47Å; L251-A284 VanDerWaalsContact CD2-CB 3.47Å; L279-A284 HydrophobicContact CD2-CB 3.86Å; L279-A284 WeakPolarHBondContact O-CA 3.32Å; L279-A284 PolarHBondContact O-N 2.86Å; A284-D286 PolarHBondContact O-N 3.31Å; A284-Y287 HydrophobicContact CB-CE1 4.19Å; A284-Y287 HydrophobicContact CB-CE2 4.26Å; A284-Y287 VanDerWaalsContact CB-OH 3.27Å; A284-Y287 WeakPolarHBondContact CB-OH 3.43Å; A284-Y287 PolarHBondContact O-N 2.89Å; A284-T288 WeakPolarHBondContact O-CB 3.3Å; A284-T288 PolarHBondContact O-N 3.43Å; A284-T288 PolarHBondContact O-OG1 3.19Å
285	L	94.4	Very high	93.6	Very high	10 Å²	10	30 Å²	30	5%	0.052	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-55.9	-34.9	171.2	-171.5	56.9	0	0	0	111.2	G172 V276 L279 R280 Y287 T288	G172-L285 WeakPolarHBondContact CA-O 3.48Å; G172-L285 PolarHBondContact N-O 3.26Å; V276-L285 HydrophobicContact CG1-CD2 4.48Å; L279-L285 HydrophobicContact CB-CB 4.3Å; L279-L285 PolarHBondContact O-N 3.12Å; R280-L285 HydrophobicContact CB-CB 4.49Å; R280-L285 HydrophobicContact CB-CD2 3.96Å; R280-L285 HydrophobicContact CG-CD2 4.19Å; L285-Y287 PolarHBondContact O-N 3.12Å; L285-T288 PolarHBondContact O-N 3.4Å
286	D	93.7	Very high	93	Very high	121 Å²	121	30 Å²	30	65%	0.647	14%	0.143	S	C	*	.	G	3₁₀ helix	trans	-54.2	-16.4	177.3	-50.8	-9.4	0	0	0	115.4	I171 A284	I171-D286 WeakPolarHBondContact CG2-O 3.02Å; A284-D286 PolarHBondContact O-N 3.31Å
287	Y	96.2	Very high	92.6	Very high	28 Å²	28	31.9 Å²	31.9	11%	0.11	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-132.4	13.9	173.5	55.8	-96.2	0	0	0	113.2	I250 L251 Q253 K254 C260 A284 L285	I250-Y287 HydrophobicContact CG2-CE2 4.24Å; I250-Y287 WeakPolarHBondContact O-CE2 3.45Å; I250-Y287 PolarHBondContact O-OH 3Å; L251-Y287 PolarHBondContact O-OH 3.46Å; Q253-Y287 HydrophobicContact CB-CE2 3.98Å; K254-Y287 HydrophobicContact CB-CE1 3.88Å; K254-Y287 HydrophobicContact CG-CE1 3.93Å; K254-Y287 PolarHBondContact N-OH 3.14Å; C260-Y287 HydrophobicContact CB-CD2 4.3Å; C260-Y287 PolarHBondContact N-O 3.3Å; A284-Y287 HydrophobicContact CB-CE1 4.19Å; A284-Y287 HydrophobicContact CB-CE2 4.26Å; A284-Y287 VanDerWaalsContact CB-OH 3.27Å; A284-Y287 WeakPolarHBondContact CB-OH 3.43Å; A284-Y287 PolarHBondContact O-N 2.89Å; L285-Y287 PolarHBondContact O-N 3.12Å
288	T	97.7	Very high	92.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	134.1	-177	-54.4	0	0	0	0	112	G172 I250 C260 L279 A284 L285 V290	G172-T288 WeakPolarHBondContact CA-O 2.88Å; G172-T288 PolarHBondContact N-O 3.39Å; I250-T288 WeakPolarHBondContact CG2-OG1 3.46Å; C260-T288 HydrophobicContact CB-CG2 3.99Å; C260-T288 WeakPolarHBondContact CB-OG1 3.41Å; C260-T288 CarbonylContact O-C 3.51Å; C260-T288 VanDerWaalsContact O-CA 3.28Å; C260-T288 WeakPolarHBondContact O-CA 3.48Å; L279-T288 HydrophobicContact CD1-CG2 4.12Å; A284-T288 WeakPolarHBondContact O-CB 3.3Å; A284-T288 PolarHBondContact O-N 3.43Å; A284-T288 PolarHBondContact O-OG1 3.19Å; L285-T288 PolarHBondContact O-N 3.4Å; T288-V290 HydrophobicContact CG2-CG2 4.26Å
289	I	97.8	Very high	92.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	135.1	164.4	-50.5	176.7	0	0	0	107.6	L170 I171 V175 C260 I261 Y262 V291 M312 F316	L170-I289 HydrophobicContact CB-CD1 3.72Å; L170-I289 HydrophobicContact CB-CG1 4.12Å; L170-I289 HydrophobicContact CB-CG2 4.19Å; I171-I289 HydrophobicContact CG1-CG1 4.32Å; V175-I289 HydrophobicContact CG2-CG2 4.47Å; C260-I289 PolarHBondContact O-N 3.42Å; I261-I289 CarbonylContact C-O 3.49Å; I261-I289 VanDerWaalsContact CA-O 3.3Å; I261-I289 WeakPolarHBondContact CA-O 3.3Å; I261-I289 HydrophobicContact CD1-CD1 4.05Å; I261-I289 HydrophobicContact CG1-CB 4.18Å; I261-I289 HydrophobicContact CG1-CD1 4.28Å; I261-I289 HydrophobicContact CG1-CG1 4.42Å; I261-I289 HydrophobicContact CG2-CB 4.46Å; Y262-I289 PolarHBondContact N-O 2.92Å; I289-V291 HydrophobicContact CG2-CG2 4.47Å; I289-M312 HydrophobicContact CG2-SD 4.26Å; I289-F316 HydrophobicContact CD1-CE2 3.69Å; I289-F316 HydrophobicContact CD1-CZ 4.11Å
290	V	97.7	Very high	91.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	121.3	171.5	179.7	0	0	0	0	109.7	R173 V174 V175 Y262 V272 V276 L279 T288	R173-V290 PolarHBondContact O-N 3.17Å; V174-V290 CarbonylContact C-O 3.46Å; V174-V290 WeakPolarHBondContact CA-O 3.33Å; V174-V290 HydrophobicContact CB-CB 4.43Å; V174-V290 HydrophobicContact CG1-CB 4.12Å; V174-V290 HydrophobicContact CG1-CG1 3.91Å; V174-V290 HydrophobicContact CG2-CB 4.24Å; V175-V290 PolarHBondContact N-O 3.18Å; Y262-V290 HydrophobicContact CD1-CG1 4.02Å; Y262-V290 WeakPolarHBondContact O-CA 3.26Å; V272-V290 HydrophobicContact CG1-CG1 4.28Å; V276-V290 HydrophobicContact CG2-CB 4.43Å; V276-V290 HydrophobicContact CG2-CG1 4.18Å; V276-V290 HydrophobicContact CG2-CG2 4.1Å; L279-V290 HydrophobicContact CD1-CG2 4.23Å; T288-V290 HydrophobicContact CG2-CG2 4.26Å
291	V	97.6	Very high	91.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	126.4	171.9	-175.7	0	0	0	0	107.3	V175 I261 Y262 V263 A264 I289 A305 M312	V175-V291 HydrophobicContact CG2-CB 4.49Å; V175-V291 HydrophobicContact CG2-CG2 3.98Å; V175-V291 CarbonylContact O-C 3.17Å; V175-V291 WeakPolarHBondContact O-CA 3.42Å; I261-V291 HydrophobicContact CG2-CG2 4.27Å; Y262-V291 PolarHBondContact O-N 2.86Å; V263-V291 CarbonylContact C-O 3.58Å; V263-V291 WeakPolarHBondContact CA-O 3.48Å; V263-V291 HydrophobicContact CG1-CB 4.22Å; V263-V291 HydrophobicContact CG1-CG1 4.34Å; V263-V291 HydrophobicContact CG2-CB 4.32Å; A264-V291 PolarHBondContact N-O 3.21Å; I289-V291 HydrophobicContact CG2-CG2 4.47Å; V291-A305 HydrophobicContact CG1-CB 4.39Å; V291-M312 HydrophobicContact CG2-SD 3.87Å
292	T	95.9	Very high	91.8	Very high	8 Å²	8	19 Å²	19	5%	0.049	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	129.6	-177.8	-172.9	0	0	0	0	112.3	V174 V175 V182	V174-T292 HydrophobicContact CG1-CG2 3.83Å; V175-T292 PolarHBondContact O-N 3.36Å; V182-T292 HydrophobicContact CG2-CG2 3.74Å
293	A	93.9	Very high	91.8	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	107.3	163.9	0	0	0	0	0	107.7	P177 A264 I265 G266 L301 L302 A305	P177-A293 HydrophobicContact CG-CB 3.83Å; A264-A293 PolarHBondContact O-N 2.88Å; I265-A293 CarbonylContact C-O 3.52Å; G266-A293 PolarHBondContact N-O 3.41Å; A293-L301 HydrophobicContact CB-CB 4.47Å; A293-L302 HydrophobicContact CB-CD1 4.19Å; A293-L302 HydrophobicContact CB-CG 4.17Å; A293-A305 HydrophobicContact CB-CB 3.95Å
294	S	90	Very high	91.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	161.1	-173.3	48.9	0	0	0	0	113.1	Q267 E269 S296 Q297	Q267-S294 WeakPolarHBondContact O-CA 3.42Å; E269-S294 WeakPolarHBondContact OE1-CB 3.33Å; E269-S294 PolarHBondContact OE1-OG 2.82Å; S294-S296 PolarHBondContact O-N 3.11Å; S294-S296 VanDerWaalsContact O-N 3.08Å; S294-S296 PolarHBondContact OG-OG 2.83Å; S294-Q297 WeakPolarHBondContact O-CB 3.49Å; S294-Q297 PolarHBondContact O-N 2.84Å; S294-Q297 WeakPolarHBondContact OG-CG 3.26Å; S294-Q297 PolarHBondContact OG-NE2 3Å
295	A	84.7	Confident	91.9	Very high	11 Å²	11	14.6 Å²	14.6	9%	0.091	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.1	-178.4	0	0	0	0	0	115	Q267 E870	Q267-A295 PolarHBondContact O-N 2.89Å; A295-E870 HydrophobicContact CB-CG 4.32Å
296	S	80.4	Confident	92	Very high	24 Å²	24	14.1 Å²	14.1	17%	0.168	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-16.4	176.2	53.5	0	0	0	0	113.7	S294	S294-S296 PolarHBondContact O-N 3.11Å; S294-S296 VanDerWaalsContact O-N 3.08Å; S294-S296 PolarHBondContact OG-OG 2.83Å
297	Q	85	Confident	92.1	Very high	40 Å²	40	8.5 Å²	8.5	19%	0.187	5%	0.047	C	C	.	.	S	Bend	trans	-77.5	155.8	179.8	-74.4	179.2	14.5	0	0	112	S294 S299 L301 L302	S294-Q297 WeakPolarHBondContact O-CB 3.49Å; S294-Q297 PolarHBondContact O-N 2.84Å; S294-Q297 WeakPolarHBondContact OG-CG 3.26Å; S294-Q297 PolarHBondContact OG-NE2 3Å; Q297-S299 PolarHBondContact O-N 2.68Å; Q297-L301 HydrophobicContact CB-CD1 4.28Å; Q297-L301 HydrophobicContact CG-CD1 4.44Å; Q297-L302 HydrophobicContact CB-CD1 4.07Å; Q297-L302 WeakPolarHBondContact O-CD1 3.4Å
298	P	83.3	Confident	92.1	Very high	25 Å²	25	7.1 Å²	7.1	16%	0.162	4%	0.042	C	C	.	.			trans	-57	134.7	174.6	-24.2	34.2	0	0	0	111.9	F146 P300 L301 L302	F146-P298 HydrophobicContact CD1-CG 4.23Å; F146-P298 HydrophobicContact CE1-CB 4.49Å; F146-P298 HydrophobicContact CE1-CG 4.09Å; P298-P300 HydrophobicContact CB-CG 4.08Å; P298-P300 WeakPolarHBondContact O-CD 3.3Å; P298-L301 WeakPolarHBondContact O-CB 3.42Å; P298-L301 PolarHBondContact O-N 3.01Å; P298-L302 WeakPolarHBondContact O-CD1 3.5Å
299	S	88.1	Confident	92	Very high	5 Å²	5	7.1 Å²	7.1	4%	0.035	4%	0.042	C	C	.	.	H	α-helix	trans	-46.9	-29.4	173.1	-71.3	0	0	0	0	116.4	Q297 L301 L302 Y303 E339 T863	Q297-S299 PolarHBondContact O-N 2.68Å; S299-L301 VanDerWaalsContact C-N 3.27Å; S299-L301 PolarHBondContact O-N 2.81Å; S299-L302 PolarHBondContact O-N 3.42Å; S299-Y303 WeakPolarHBondContact O-CB 3.35Å; S299-Y303 PolarHBondContact O-N 2.86Å; S299-E339 VanDerWaalsContact CB-OE2 3.29Å; S299-E339 WeakPolarHBondContact CB-OE2 3.2Å; S299-E339 PolarHBondContact OG-OE2 2.72Å; S299-T863 PolarHBondContact OG-OG1 3.15Å
300	P	89	Confident	92	Very high	4 Å²	4	7.1 Å²	7.1	3%	0.026	4%	0.042	C	C	.	.	H	α-helix	trans	-43.2	-45.1	161.6	-32.7	32.5	0	0	0	116.1	I141 I142 L143 P298 I304 L340	I141-P300 HydrophobicContact CG2-CB 3.52Å; I141-P300 HydrophobicContact CG2-CG 3.45Å; I141-P300 VanDerWaalsContact CG2-CG 3.45Å; I142-P300 WeakPolarHBondContact O-CB 3.05Å; I142-P300 WeakPolarHBondContact O-CG 3.38Å; L143-P300 HydrophobicContact CD2-CB 4.06Å; P298-P300 HydrophobicContact CB-CG 4.08Å; P298-P300 WeakPolarHBondContact O-CD 3.3Å; P300-I304 PolarHBondContact O-N 3.32Å; P300-L340 HydrophobicContact CG-CD2 3.9Å
301	L	90.1	Very high	92	Very high	12 Å²	12	7.1 Å²	7.1	6%	0.063	4%	0.042	C	C	.	.	H	α-helix	trans	-75.7	-39.8	-178	-67.7	-179	0	0	0	111.5	L143 P177 A293 Q297 P298 S299 Y303 I304 A305	L143-L301 HydrophobicContact CB-CD2 4.23Å; L143-L301 HydrophobicContact CD2-CD2 4.4Å; P177-L301 HydrophobicContact CB-CD2 4.29Å; P177-L301 HydrophobicContact CG-CB 4.08Å; P177-L301 HydrophobicContact CG-CD2 4.35Å; P177-L301 WeakPolarHBondContact CG-O 3.45Å; A293-L301 HydrophobicContact CB-CB 4.47Å; Q297-L301 HydrophobicContact CB-CD1 4.28Å; Q297-L301 HydrophobicContact CG-CD1 4.44Å; P298-L301 WeakPolarHBondContact O-CB 3.42Å; P298-L301 PolarHBondContact O-N 3.01Å; S299-L301 VanDerWaalsContact C-N 3.27Å; S299-L301 PolarHBondContact O-N 2.81Å; L301-Y303 VanDerWaalsContact C-N 3.33Å; L301-Y303 PolarHBondContact O-N 3.29Å; L301-I304 PolarHBondContact O-N 3.46Å; L301-A305 PolarHBondContact O-N 2.84Å
302	L	92.8	Very high	92	Very high	14 Å²	14	7.1 Å²	7.1	7%	0.073	4%	0.042	C	C	.	.	H	α-helix	trans	-64.3	-38.4	175.2	-72.6	70.6	0	0	0	111.5	I265 A293 Q297 P298 S299 I304 A336	I265-L302 HydrophobicContact CG2-CB 4.24Å; A293-L302 HydrophobicContact CB-CD1 4.19Å; A293-L302 HydrophobicContact CB-CG 4.17Å; Q297-L302 HydrophobicContact CB-CD1 4.07Å; Q297-L302 WeakPolarHBondContact O-CD1 3.4Å; P298-L302 WeakPolarHBondContact O-CD1 3.5Å; S299-L302 PolarHBondContact O-N 3.42Å; L302-I304 VanDerWaalsContact C-N 3.33Å; L302-I304 PolarHBondContact O-N 3.26Å; L302-A336 HydrophobicContact CB-CB 3.8Å
303	Y	92.8	Very high	92	Very high	5 Å²	5	6.8 Å²	6.8	2%	0.02	4%	0.04	C	C	.	.	H	α-helix	trans	-59.3	-41.2	173	159.7	-94.2	0	0	0	112.2	M129 E197 S299 L301 Y307 Q333 Y337 L340 L360 R363	M129-Y303 HydrophobicContact CE-CE1 4.06Å; E197-Y303 PolarHBondContact OE1-OH 2.88Å; S299-Y303 WeakPolarHBondContact O-CB 3.35Å; S299-Y303 PolarHBondContact O-N 2.86Å; L301-Y303 VanDerWaalsContact C-N 3.33Å; L301-Y303 PolarHBondContact O-N 3.29Å; Y303-Y307 HydrophobicContact CE2-CE2 4.4Å; Y303-Q333 PolarHBondContact O-NE2 3.12Å; Y303-Y337 AromaticContact CD2-CD2 3.41Å; Y303-Y337 HydrophobicContact CD2-CD2 3.41Å; Y303-Y337 VanDerWaalsContact CD2-CD2 3.41Å; Y303-Y337 HydrophobicContact CD2-CE2 4.18Å; Y303-Y337 HydrophobicContact CD2-CG 4.02Å; Y303-Y337 AromaticContact CE2-CD2 3.37Å; Y303-Y337 HydrophobicContact CE2-CD2 3.37Å; Y303-Y337 AromaticContact CE2-CE2 3.66Å; Y303-Y337 HydrophobicContact CE2-CE2 3.66Å; Y303-Y337 HydrophobicContact CE2-CG 4.16Å; Y303-L340 HydrophobicContact CD1-CD1 4.39Å; Y303-L340 HydrophobicContact CD2-CD1 4.26Å; Y303-L340 HydrophobicContact CG-CD1 3.85Å; Y303-L360 HydrophobicContact CD2-CD1 4.03Å; Y303-L360 HydrophobicContact CE2-CD1 3.45Å; Y303-L360 VanDerWaalsContact CE2-CD1 3.45Å; Y303-R363 PolarHBondContact OH-NH2 2.89Å
304	I	92.7	Very high	92.2	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-95.8	-18	-169.3	-144.6	145.8	0	0	0	114.7	M129 L143 M162 P177 V196 P300 L301 L302 P306 Y307 A308	M129-I304 HydrophobicContact CE-CD1 4.25Å; M129-I304 HydrophobicContact SD-CD1 4.18Å; L143-I304 HydrophobicContact CD2-CD1 4.35Å; L143-I304 HydrophobicContact CD2-CG2 4.31Å; M162-I304 HydrophobicContact CE-CD1 3.9Å; M162-I304 HydrophobicContact CE-CG1 4.23Å; M162-I304 HydrophobicContact CE-CG2 4.23Å; M162-I304 HydrophobicContact SD-CD1 3.34Å; M162-I304 WeakPolarHBondContact SD-CD1 3.27Å; M162-I304 HydrophobicContact SD-CG1 4.24Å; P177-I304 HydrophobicContact CB-CG2 3.57Å; V196-I304 HydrophobicContact CG2-CD1 4.17Å; V196-I304 HydrophobicContact CG2-CG1 4.28Å; P300-I304 PolarHBondContact O-N 3.32Å; L301-I304 PolarHBondContact O-N 3.46Å; L302-I304 VanDerWaalsContact C-N 3.33Å; L302-I304 PolarHBondContact O-N 3.26Å; I304-P306 VanDerWaalsContact C-CD 3.5Å; I304-P306 VanDerWaalsContact C-N 3.34Å; I304-Y307 WeakPolarHBondContact O-CB 3.37Å; I304-Y307 PolarHBondContact O-N 3.04Å; I304-A308 PolarHBondContact O-N 3.36Å
305	A	95.3	Very high	92.4	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-50.4	-42	179.4	0	0	0	0	0	114.4	P177 V263 I265 V291 A293 L301 A308 G309	P177-A305 HydrophobicContact CB-CB 4.22Å; P177-A305 HydrophobicContact CG-CB 3.74Å; V263-A305 HydrophobicContact CG1-CB 4Å; V263-A305 WeakPolarHBondContact CG1-O 3.41Å; I265-A305 HydrophobicContact CG1-CB 4.48Å; V291-A305 HydrophobicContact CG1-CB 4.39Å; A293-A305 HydrophobicContact CB-CB 3.95Å; L301-A305 PolarHBondContact O-N 2.84Å; A305-A308 PolarHBondContact O-N 3.46Å; A305-G309 PolarHBondContact O-N 2.78Å
306	P	97.2	Very high	93	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-67.6	-36	176.8	-25.1	40.1	0	0	0	113.3	I265 I304 G309 V310 Y327 L330 Q333 L364	I265-P306 HydrophobicContact CD1-CG 3.61Å; I265-P306 HydrophobicContact CG1-CG 4.07Å; I304-P306 VanDerWaalsContact C-CD 3.5Å; I304-P306 VanDerWaalsContact C-N 3.34Å; P306-G309 PolarHBondContact O-N 3.26Å; P306-V310 WeakPolarHBondContact O-CG1 3.16Å; P306-V310 PolarHBondContact O-N 3.47Å; P306-Y327 HydrophobicContact CB-CD1 3.78Å; P306-Y327 HydrophobicContact CB-CE1 3.87Å; P306-Y327 HydrophobicContact CG-CD1 4.45Å; P306-L330 HydrophobicContact CB-CD2 4.43Å; P306-L330 HydrophobicContact CG-CD2 4.19Å; P306-Q333 HydrophobicContact CG-CB 4.46Å; P306-Q333 HydrophobicContact CG-CG 4.04Å; P306-L364 HydrophobicContact CB-CD1 3.72Å; P306-L364 HydrophobicContact CB-CD2 3.59Å; P306-L364 HydrophobicContact CB-CG 4.32Å
307	Y	96	Very high	93.7	Very high	2 Å²	2	7.3 Å²	7.3	1%	0.008	4%	0.038	C	C	.	.	H	α-helix	trans	-69	-39.7	177.3	-67.7	-73.3	0	0	0	111.8	Y303 I304 V310 A311 Q333 L360 R363 L364	Y303-Y307 HydrophobicContact CE2-CE2 4.4Å; I304-Y307 WeakPolarHBondContact O-CB 3.37Å; I304-Y307 PolarHBondContact O-N 3.04Å; Y307-V310 WeakPolarHBondContact O-CG1 3.41Å; Y307-A311 VanDerWaalsContact O-CB 3.32Å; Y307-A311 WeakPolarHBondContact O-CB 3.27Å; Y307-A311 PolarHBondContact O-N 3.2Å; Y307-Q333 VanDerWaalsContact CE2-NE2 3.32Å; Y307-L360 HydrophobicContact CE2-CD1 4.03Å; Y307-L360 VanDerWaalsContact OH-CD1 3.23Å; Y307-L360 WeakPolarHBondContact OH-CD1 3.31Å; Y307-L360 PolarHBondContact OH-O 3.46Å; Y307-R363 HydrophobicContact CE1-CG 4.12Å; Y307-R363 PolarHBondContact OH-NE 2.91Å; Y307-R363 PolarHBondContact OH-NH2 3.35Å; Y307-L364 HydrophobicContact CD1-CD1 4.16Å; Y307-L364 HydrophobicContact CE1-CB 4.08Å; Y307-L364 HydrophobicContact CE1-CD1 4.28Å
308	A	95.6	Very high	94.2	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-61.8	-49.3	171.2	0	0	0	0	0	111.8	V164 P177 I304 A305 V310 A311 M312	V164-A308 HydrophobicContact CG1-CB 4.01Å; P177-A308 VanDerWaalsContact O-CB 3.27Å; P177-A308 WeakPolarHBondContact O-CB 3.21Å; I304-A308 PolarHBondContact O-N 3.36Å; A305-A308 PolarHBondContact O-N 3.46Å; A308-V310 PolarHBondContact O-N 3.46Å; A308-A311 PolarHBondContact O-N 3.23Å; A308-M312 WeakPolarHBondContact O-CG 3.23Å; A308-M312 PolarHBondContact O-N 2.7Å
309	G	96.9	Very high	94.7	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-60	-43.8	179.2	0	0	0	0	0	113.4	A305 P306 M312 A313 I325	A305-G309 PolarHBondContact O-N 2.78Å; P306-G309 PolarHBondContact O-N 3.26Å; G309-M312 PolarHBondContact O-N 2.75Å; G309-A313 PolarHBondContact O-N 3Å; G309-I325 WeakPolarHBondContact O-CD1 3.24Å
310	V	97.6	Very high	95	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-73.7	-29.1	177.5	74.5	0	0	0	0	112.7	P306 Y307 A308 A313 E314 I325 L364 R367 I380	P306-V310 WeakPolarHBondContact O-CG1 3.16Å; P306-V310 PolarHBondContact O-N 3.47Å; Y307-V310 WeakPolarHBondContact O-CG1 3.41Å; A308-V310 PolarHBondContact O-N 3.46Å; V310-A313 WeakPolarHBondContact O-CB 3.06Å; V310-A313 PolarHBondContact O-N 2.76Å; V310-E314 WeakPolarHBondContact O-CG 3.29Å; V310-E314 PolarHBondContact O-N 3.22Å; V310-I325 HydrophobicContact CB-CD1 4.26Å; V310-L364 HydrophobicContact CB-CD1 4.49Å; V310-L364 HydrophobicContact CG1-CD1 3.92Å; V310-R367 VanDerWaalsContact CG1-CZ 3.41Å; V310-R367 HydrophobicContact CG2-CB 3.99Å; V310-I380 HydrophobicContact CG2-CD1 4.29Å
311	A	96.7	Very high	95.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-64.1	-40.6	170.7	0	0	0	0	0	111.5	V164 R194 Y307 A308 E314	V164-A311 HydrophobicContact CG2-CB 3.8Å; R194-A311 WeakPolarHBondContact CD-O 3.44Å; Y307-A311 VanDerWaalsContact O-CB 3.32Å; Y307-A311 WeakPolarHBondContact O-CB 3.27Å; Y307-A311 PolarHBondContact O-N 3.2Å; A308-A311 PolarHBondContact O-N 3.23Å; A311-E314 PolarHBondContact O-N 3.01Å
312	M	96.9	Very high	95.6	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-63	-40.6	171.1	-64.8	170	-171.5	0	0	111.8	V164 V166 L170 V175 I261 I289 V291 A308 G309 E315 F316	V164-M312 HydrophobicContact CB-CE 4.22Å; V164-M312 HydrophobicContact CG2-CE 4.42Å; V164-M312 HydrophobicContact CG2-CG 4.49Å; V166-M312 HydrophobicContact CG1-CG 4.41Å; L170-M312 HydrophobicContact CD2-CE 4.1Å; L170-M312 HydrophobicContact CD2-SD 4.19Å; V175-M312 HydrophobicContact CG2-CE 4.14Å; V175-M312 HydrophobicContact CG2-SD 4.47Å; I261-M312 HydrophobicContact CD1-CB 3.83Å; I289-M312 HydrophobicContact CG2-SD 4.26Å; V291-M312 HydrophobicContact CG2-SD 3.87Å; A308-M312 WeakPolarHBondContact O-CG 3.23Å; A308-M312 PolarHBondContact O-N 2.7Å; G309-M312 PolarHBondContact O-N 2.75Å; M312-E315 PolarHBondContact O-N 3.05Å; M312-F316 WeakPolarHBondContact O-CD2 3.29Å; M312-F316 WeakPolarHBondContact O-CE2 3.24Å
313	A	97.2	Very high	95.9	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.2	-40	175.8	0	0	0	0	0	113.1	I261 G309 V310 E315 F316 M317 V323 I325 I380	I261-A313 HydrophobicContact CD1-CB 3.91Å; G309-A313 PolarHBondContact O-N 3Å; V310-A313 WeakPolarHBondContact O-CB 3.06Å; V310-A313 PolarHBondContact O-N 2.76Å; A313-E315 VanDerWaalsContact C-N 3.28Å; A313-E315 PolarHBondContact O-N 3.34Å; A313-F316 PolarHBondContact O-N 3.12Å; A313-M317 PolarHBondContact O-N 3.11Å; A313-V323 HydrophobicContact CB-CB 4.46Å; A313-V323 HydrophobicContact CB-CG1 3.87Å; A313-I325 HydrophobicContact CB-CD1 4.34Å; A313-I380 HydrophobicContact CB-CD1 3.72Å; A313-I380 HydrophobicContact CB-CG1 3.96Å; A313-I380 HydrophobicContact CB-CG2 4.27Å
314	E	97	Very high	96.1	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.005	8%	0.082	C	C	.	.	H	α-helix	trans	-60.4	-35.7	-179.9	-83.2	-178.5	-170.1	0	0	112.9	R194 T198 V310 A311 F316 M317 Y318 R367 I380	R194-E314 IonicContact CZ-OE2 2.71Å; R194-E314 IonicContact NE-OE2 3.8Å; R194-E314 IonicContact NH2-OE2 3.68Å; R194-E314 PolarHBondContact NH2-OE2 3.16Å; T198-E314 PolarHBondContact OG1-OE1 2.86Å; T198-E314 PolarHBondContact OG1-OE2 2.93Å; V310-E314 WeakPolarHBondContact O-CG 3.29Å; V310-E314 PolarHBondContact O-N 3.22Å; A311-E314 PolarHBondContact O-N 3.01Å; E314-F316 VanDerWaalsContact C-N 3.33Å; E314-F316 PolarHBondContact O-N 2.88Å; E314-M317 HydrophobicContact CG-CE 4.15Å; E314-M317 PolarHBondContact O-N 2.84Å; E314-Y318 HydrophobicContact CB-CD2 4.12Å; E314-Y318 HydrophobicContact CB-CE2 4.15Å; E314-Y318 HydrophobicContact CG-CE2 4.13Å; E314-Y318 WeakPolarHBondContact O-CD2 2.81Å; E314-Y318 PolarHBondContact O-N 2.84Å; E314-R367 IonicContact OE1-CZ 2.7Å; E314-R367 VanDerWaalsContact OE1-CZ 3.3Å; E314-R367 IonicContact OE1-NE 2.83Å; E314-R367 PolarHBondContact OE1-NE 3.31Å; E314-R367 IonicContact OE1-NH2 3.69Å; E314-R367 PolarHBondContact OE1-NH2 2.85Å; E314-R367 IonicContact OE2-NH2 2.68Å; E314-I380 HydrophobicContact CG-CD1 4.05Å
315	E	95.8	Very high	96.4	Very high	40 Å²	40	16.1 Å²	16.1	19%	0.187	8%	0.082	C	C	.	.	H	α-helix	trans	-60.1	-45.3	178.3	-170.6	55	-156.1	0	0	111.3	V166 R194 M312 A313 N319	V166-E315 HydrophobicContact CB-CB 3.87Å; V166-E315 HydrophobicContact CB-CG 3.99Å; V166-E315 HydrophobicContact CG1-CB 4.38Å; V166-E315 HydrophobicContact CG2-CB 4Å; V166-E315 HydrophobicContact CG2-CG 3.68Å; R194-E315 VanDerWaalsContact CD-OE2 3.31Å; R194-E315 WeakPolarHBondContact CD-OE2 3.32Å; R194-E315 IonicContact CZ-OE2 3.53Å; R194-E315 IonicContact NE-OE2 3.45Å; R194-E315 IonicContact NH1-OE2 3.5Å; R194-E315 PolarHBondContact NH1-OE2 2.95Å; M312-E315 PolarHBondContact O-N 3.05Å; A313-E315 VanDerWaalsContact C-N 3.28Å; A313-E315 PolarHBondContact O-N 3.34Å; E315-N319 WeakPolarHBondContact O-CB 3.2Å; E315-N319 PolarHBondContact O-N 3.04Å; E315-N319 PolarHBondContact O-ND2 2.84Å; E315-N319 PolarHBondContact OE1-ND2 3.46Å
316	F	96	Very high	96.5	Very high	6 Å²	6	16.1 Å²	16.1	3%	0.026	8%	0.082	C	C	.	.	H	α-helix	trans	-68.1	-39.3	176.7	-57.8	-69.4	0	0	0	111.8	E168 I171 I259 I289 M312 A313 E314 N319 G320 K321 V323	E168-F316 HydrophobicContact CG-CE1 4.08Å; I171-F316 HydrophobicContact CD1-CE1 4.15Å; I171-F316 HydrophobicContact CD1-CZ 4.19Å; I171-F316 HydrophobicContact CG1-CZ 4.22Å; I259-F316 HydrophobicContact CB-CG 4.48Å; I259-F316 HydrophobicContact CG1-CB 4.47Å; I259-F316 HydrophobicContact CG1-CD1 4.08Å; I259-F316 HydrophobicContact CG1-CE1 4.49Å; I259-F316 HydrophobicContact CG1-CG 4.12Å; I259-F316 HydrophobicContact CG2-CD2 4.05Å; I259-F316 HydrophobicContact CG2-CE2 4.06Å; I259-F316 HydrophobicContact CG2-CG 4.42Å; I259-F316 HydrophobicContact CG2-CZ 4.42Å; I289-F316 HydrophobicContact CD1-CE2 3.69Å; I289-F316 HydrophobicContact CD1-CZ 4.11Å; M312-F316 WeakPolarHBondContact O-CD2 3.29Å; M312-F316 WeakPolarHBondContact O-CE2 3.24Å; A313-F316 PolarHBondContact O-N 3.12Å; E314-F316 VanDerWaalsContact C-N 3.33Å; E314-F316 PolarHBondContact O-N 2.88Å; F316-N319 CarbonylContact O-C 3.23Å; F316-N319 PolarHBondContact O-N 2.88Å; F316-G320 PolarHBondContact O-N 3.11Å; F316-K321 HydrophobicContact CB-CB 4.21Å; F316-K321 HydrophobicContact CD1-CD 4.32Å; F316-K321 WeakPolarHBondContact O-CA 3.11Å; F316-K321 WeakPolarHBondContact O-CB 3.35Å; F316-K321 PolarHBondContact O-N 3.23Å; F316-V323 HydrophobicContact CB-CG2 3.6Å
317	M	96.3	Very high	96.6	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-61.1	-48.3	178.4	-178	-179.8	68.1	0	0	113.1	P201 A313 E314 N319 G320 V371 I380	P201-M317 HydrophobicContact CG-CE 4.28Å; A313-M317 PolarHBondContact O-N 3.11Å; E314-M317 HydrophobicContact CG-CE 4.15Å; E314-M317 PolarHBondContact O-N 2.84Å; M317-N319 VanDerWaalsContact C-N 3.31Å; M317-G320 PolarHBondContact O-N 3.4Å; M317-V371 HydrophobicContact CE-CG1 3.93Å; M317-V371 HydrophobicContact CG-CG1 4.23Å; M317-V371 HydrophobicContact CG-CG2 4.25Å; M317-V371 HydrophobicContact SD-CG1 3.81Å; M317-I380 HydrophobicContact CB-CD1 4.11Å; M317-I380 HydrophobicContact CB-CG1 3.86Å; M317-I380 HydrophobicContact CE-CD1 3.94Å; M317-I380 HydrophobicContact CG-CD1 4.49Å; M317-I380 HydrophobicContact CG-CG1 4.18Å; M317-I380 HydrophobicContact SD-CB 4.37Å; M317-I380 HydrophobicContact SD-CD1 3.69Å; M317-I380 HydrophobicContact SD-CG1 3.67Å
318	Y	95.3	Very high	96.5	Very high	70 Å²	70	16.2 Å²	16.2	28%	0.275	8%	0.082	S	C	.	.	H	α-helix	trans	-74.5	-21.7	-179.6	-73.7	-68.2	0	0	0	113	E314 G320 V371	E314-Y318 HydrophobicContact CB-CD2 4.12Å; E314-Y318 HydrophobicContact CB-CE2 4.15Å; E314-Y318 HydrophobicContact CG-CE2 4.13Å; E314-Y318 WeakPolarHBondContact O-CD2 2.81Å; E314-Y318 PolarHBondContact O-N 2.84Å; Y318-G320 PolarHBondContact O-N 3.22Å; Y318-V371 HydrophobicContact CE1-CG1 4.44Å
319	N	93.6	Very high	96.4	Very high	108 Å²	108	16.2 Å²	16.2	58%	0.578	8%	0.083	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.9	12.8	165.2	-72.2	-58.1	0	0	0	113.2	E315 F316 M317 K321	E315-N319 WeakPolarHBondContact O-CB 3.2Å; E315-N319 PolarHBondContact O-N 3.04Å; E315-N319 PolarHBondContact O-ND2 2.84Å; E315-N319 PolarHBondContact OE1-ND2 3.46Å; F316-N319 CarbonylContact O-C 3.23Å; F316-N319 PolarHBondContact O-N 2.88Å; M317-N319 VanDerWaalsContact C-N 3.31Å; N319-K321 VanDerWaalsContact C-N 3.32Å; N319-K321 PolarHBondContact O-N 3.46Å
320	G	93.5	Very high	96.4	Very high	25 Å²	25	16.2 Å²	16.2	26%	0.258	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	0.2	173.4	0	0	0	0	0	115.7	F316 M317 Y318 G376	F316-G320 PolarHBondContact O-N 3.11Å; M317-G320 PolarHBondContact O-N 3.4Å; Y318-G320 PolarHBondContact O-N 3.22Å; G320-G376 WeakPolarHBondContact CA-O 3.26Å
321	K	95.5	Very high	96.2	Very high	57 Å²	57	17.2 Å²	17.2	25%	0.248	9%	0.09	C	C	.	.			trans	-79.7	169.5	176.9	-56.1	-164.9	-174.3	-173.3	0	111.7	E168 I259 F316 N319 G378 S379	E168-K321 IonicContact OE1-NZ 2.68Å; E168-K321 PolarHBondContact OE1-NZ 3.42Å; I259-K321 HydrophobicContact CG1-CD 4.39Å; F316-K321 HydrophobicContact CB-CB 4.21Å; F316-K321 HydrophobicContact CD1-CD 4.32Å; F316-K321 WeakPolarHBondContact O-CA 3.11Å; F316-K321 WeakPolarHBondContact O-CB 3.35Å; F316-K321 PolarHBondContact O-N 3.23Å; N319-K321 VanDerWaalsContact C-N 3.32Å; N319-K321 PolarHBondContact O-N 3.46Å; K321-G378 WeakPolarHBondContact O-CA 3.09Å; K321-S379 PolarHBondContact O-N 2.99Å; K321-S379 VanDerWaalsContact O-N 3.16Å
322	H	97.2	Very high	96	Very high	29 Å²	29	19.7 Å²	19.7	13%	0.134	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	142.8	174.3	-56.1	-86.6	0	0	0	111.1	E211 R228 M258 I259 S379	E211-H322 IonicContact OE2-CE1 3.71Å; R228-H322 PolarHBondContact NH1-CD2 2.82Å; R228-H322 VanDerWaalsContact NH1-CG 3.3Å; M258-H322 WeakPolarHBondContact CA-O 3.44Å; M258-H322 HydrophobicContact CE-CB 4.48Å; M258-H322 HydrophobicContact SD-CB 3.34Å; M258-H322 WeakPolarHBondContact SD-CB 3.33Å; I259-H322 PolarHBondContact N-O 2.62Å; H322-S379 CarbonylContact C-O 3.52Å; H322-S379 WeakPolarHBondContact CA-O 3.23Å; H322-S379 PolarHBondContact ND1-OG 2.8Å
323	V	97.9	Very high	95.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	139.5	-176.1	-167	0	0	0	0	110.6	M258 I259 I261 A313 F316 S379 I380 T381	M258-V323 VanDerWaalsContact CE-C 3.5Å; I259-V323 HydrophobicContact CB-CG2 4.5Å; I259-V323 CarbonylContact O-C 3.54Å; I259-V323 WeakPolarHBondContact O-CA 3.32Å; I261-V323 HydrophobicContact CD1-CG1 4.38Å; I261-V323 HydrophobicContact CG1-CG1 4.16Å; A313-V323 HydrophobicContact CB-CB 4.46Å; A313-V323 HydrophobicContact CB-CG1 3.87Å; F316-V323 HydrophobicContact CB-CG2 3.6Å; V323-S379 PolarHBondContact N-O 3.4Å; V323-I380 HydrophobicContact CB-CG1 4.25Å; V323-I380 HydrophobicContact CG2-CG1 4.47Å; V323-I380 WeakPolarHBondContact O-CA 3.41Å; V323-T381 PolarHBondContact O-N 2.81Å
324	L	98.1	Very high	95.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	120	163.9	174.1	59.8	0	0	0	108.2	L213 A249 I250 Q253 M258 I259 C260 I261 T381 L383	L213-L324 HydrophobicContact CD1-CB 4.17Å; L213-L324 HydrophobicContact CD1-CD1 4Å; L213-L324 HydrophobicContact CD1-CD2 4.45Å; L213-L324 HydrophobicContact CD1-CG 4.44Å; L213-L324 HydrophobicContact CD2-CD1 4.46Å; A249-L324 HydrophobicContact CB-CD2 4.45Å; I250-L324 HydrophobicContact CG1-CD2 3.98Å; Q253-L324 HydrophobicContact CG-CD2 4.02Å; M258-L324 HydrophobicContact CE-CB 3.66Å; I259-L324 PolarHBondContact O-N 2.86Å; C260-L324 CarbonylContact C-O 3.58Å; C260-L324 WeakPolarHBondContact CA-O 3.41Å; I261-L324 PolarHBondContact N-O 3.37Å; L324-T381 HydrophobicContact CD1-CG2 4.1Å; L324-L383 HydrophobicContact CD1-CD1 3.89Å; L324-L383 HydrophobicContact CD1-CG 3.89Å
325	I	98.3	Very high	95.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	133.8	173.7	-170.1	160.1	0	0	0	111.2	I261 V263 G309 V310 A313 Y327 I380 T381 A382 L383	I261-I325 HydrophobicContact CB-CB 4.42Å; I261-I325 HydrophobicContact CB-CD1 4.26Å; I261-I325 HydrophobicContact CB-CG1 4.07Å; I261-I325 HydrophobicContact CG2-CD1 4.14Å; I261-I325 HydrophobicContact CG2-CG1 4.24Å; I261-I325 CarbonylContact O-C 3.54Å; I261-I325 WeakPolarHBondContact O-CA 3.5Å; V263-I325 HydrophobicContact CG2-CD1 4.03Å; V263-I325 HydrophobicContact CG2-CG1 4.11Å; G309-I325 WeakPolarHBondContact O-CD1 3.24Å; V310-I325 HydrophobicContact CB-CD1 4.26Å; A313-I325 HydrophobicContact CB-CD1 4.34Å; I325-Y327 HydrophobicContact CD1-CE1 3.65Å; I325-Y327 HydrophobicContact CG1-CD1 4.42Å; I325-Y327 HydrophobicContact CG1-CE1 3.91Å; I325-Y327 HydrophobicContact CG1-CE2 4.31Å; I325-Y327 HydrophobicContact CG2-CE2 3.93Å; I325-I380 HydrophobicContact CB-CG2 4.36Å; I325-I380 HydrophobicContact CG2-CG2 3.49Å; I325-I380 VanDerWaalsContact CG2-CG2 3.49Å; I325-T381 PolarHBondContact N-O 3.38Å; I325-A382 HydrophobicContact CG2-CB 3.94Å; I325-A382 CarbonylContact O-C 3.58Å; I325-A382 WeakPolarHBondContact O-CA 3.4Å; I325-L383 PolarHBondContact O-N 3Å
326	V	98.2	Very high	95.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	135.6	178	-176.8	0	0	0	0	108.2	A246 I250 I261 Y262 V263 L383 F385	A246-V326 HydrophobicContact CB-CB 4.48Å; A246-V326 HydrophobicContact CB-CG1 3.66Å; A246-V326 HydrophobicContact CB-CG2 3.95Å; I250-V326 HydrophobicContact CD1-CG2 3.99Å; I250-V326 HydrophobicContact CG1-CG2 4.46Å; I261-V326 PolarHBondContact O-N 3.37Å; Y262-V326 HydrophobicContact CD2-CB 3.99Å; Y262-V326 HydrophobicContact CD2-CG1 3.9Å; Y262-V326 HydrophobicContact CE2-CG1 4.17Å; V263-V326 WeakPolarHBondContact CB-O 3.41Å; V263-V326 PolarHBondContact N-O 2.91Å; V326-L383 WeakPolarHBondContact CA-O 3.48Å; V326-L383 HydrophobicContact CG2-CB 4.35Å; V326-L383 HydrophobicContact CG2-CD1 4.4Å; V326-F385 HydrophobicContact CG1-CD1 4.48Å; V326-F385 HydrophobicContact CG1-CE1 3.78Å; V326-F385 HydrophobicContact CG1-CZ 3.92Å
327	Y	98.1	Very high	95.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	107.5	174.9	-48.7	-85.3	0	0	0	109.3	V263 P306 I325 D329 L330 L364 L365 A382 L383 P384 F385	V263-Y327 HydrophobicContact CB-CD1 4.07Å; V263-Y327 HydrophobicContact CG1-CD1 4.48Å; V263-Y327 HydrophobicContact CG2-CD1 4.06Å; V263-Y327 HydrophobicContact CG2-CE1 4.35Å; P306-Y327 HydrophobicContact CB-CD1 3.78Å; P306-Y327 HydrophobicContact CB-CE1 3.87Å; P306-Y327 HydrophobicContact CG-CD1 4.45Å; I325-Y327 HydrophobicContact CD1-CE1 3.65Å; I325-Y327 HydrophobicContact CG1-CD1 4.42Å; I325-Y327 HydrophobicContact CG1-CE1 3.91Å; I325-Y327 HydrophobicContact CG1-CE2 4.31Å; I325-Y327 HydrophobicContact CG2-CE2 3.93Å; Y327-D329 WeakPolarHBondContact O-CA 3.45Å; Y327-L330 HydrophobicContact CD1-CD2 4.49Å; Y327-L330 HydrophobicContact CG-CD2 4.11Å; Y327-L364 HydrophobicContact CE1-CD1 4.23Å; Y327-L365 HydrophobicContact CD2-CD2 4.44Å; Y327-L365 HydrophobicContact CE2-CD2 3.98Å; Y327-A382 HydrophobicContact CE2-CB 4.08Å; Y327-L383 PolarHBondContact N-O 3.49Å; Y327-L383 VanDerWaalsContact N-O 3.12Å; Y327-P384 HydrophobicContact CD2-CB 4.01Å; Y327-F385 VanDerWaalsContact O-CB 3.27Å; Y327-F385 WeakPolarHBondContact O-CB 3.47Å; Y327-F385 PolarHBondContact O-N 2.84Å
328	D	95.8	Very high	94.9	Very high	4 Å²	4	21.5 Å²	21.5	2%	0.021	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	85.2	-176	-169	-11.5	0	0	0	109.7	T243 Y262 V263 I265 Q267 F385	T243-D328 WeakPolarHBondContact CB-OD2 3.3Å; T243-D328 WeakPolarHBondContact CG2-OD2 3.41Å; T243-D328 PolarHBondContact OG1-OD2 2.72Å; Y262-D328 HydrophobicContact CE2-CB 3.99Å; Y262-D328 PolarHBondContact OH-OD2 2.79Å; V263-D328 PolarHBondContact O-N 2.68Å; I265-D328 PolarHBondContact N-O 3.3Å; Q267-D328 VanDerWaalsContact CG-O 3.24Å; Q267-D328 WeakPolarHBondContact CG-O 3.42Å; Q267-D328 VanDerWaalsContact NE2-C 3.26Å; Q267-D328 PolarHBondContact NE2-O 3.46Å; Q267-D328 PolarHBondContact NE2-OD1 3.24Å; D328-F385 HydrophobicContact CB-CD2 3.69Å; D328-F385 HydrophobicContact CB-CE2 3.8Å; D328-F385 HydrophobicContact CB-CG 4.42Å; D328-F385 WeakPolarHBondContact OD1-CD2 3.37Å; D328-F385 WeakPolarHBondContact OD2-CE2 3.3Å
329	D	93	Very high	94.6	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	10%	0.1	C	C	.	.			cis	-139.7	165.8	1.8	69.8	57.4	0	0	0	113.7	I265 Y327 S331 K332 Q333 F385	I265-D329 WeakPolarHBondContact CD1-O 3.26Å; Y327-D329 WeakPolarHBondContact O-CA 3.45Å; D329-S331 VanDerWaalsContact OD1-CA 3.31Å; D329-S331 WeakPolarHBondContact OD1-CA 3.36Å; D329-S331 WeakPolarHBondContact OD1-CB 3.43Å; D329-S331 PolarHBondContact OD1-N 2.91Å; D329-K332 WeakPolarHBondContact OD1-CG 3.35Å; D329-K332 PolarHBondContact OD1-N 2.86Å; D329-K332 IonicContact OD2-NZ 3.62Å; D329-K332 PolarHBondContact OD2-NZ 3.32Å; D329-Q333 PolarHBondContact O-N 3.19Å; D329-F385 HydrophobicContact CB-CB 3.59Å
330	L	96.3	Very high	94.3	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-80.8	-13.4	179.8	-60.4	-170.6	0	0	0	113.6	I265 P306 Y327 K332 Q333 A334 H361 L364 L365 P384 F385 I386	I265-L330 HydrophobicContact CD1-CD2 4.09Å; P306-L330 HydrophobicContact CB-CD2 4.43Å; P306-L330 HydrophobicContact CG-CD2 4.19Å; Y327-L330 HydrophobicContact CD1-CD2 4.49Å; Y327-L330 HydrophobicContact CG-CD2 4.11Å; L330-K332 VanDerWaalsContact C-N 3.33Å; L330-Q333 HydrophobicContact CD2-CB 4.48Å; L330-Q333 PolarHBondContact O-N 3.04Å; L330-A334 PolarHBondContact O-N 3.2Å; L330-H361 PolarHBondContact O-NE2 2.81Å; L330-L364 HydrophobicContact CD1-CD2 4.21Å; L330-L364 HydrophobicContact CD2-CD2 3.82Å; L330-L365 HydrophobicContact CD1-CD1 4.27Å; L330-L365 HydrophobicContact CD1-CD2 4.37Å; L330-P384 HydrophobicContact CD1-CB 3.54Å; L330-P384 HydrophobicContact CG-CB 4.12Å; L330-F385 PolarHBondContact N-O 3Å; L330-I386 HydrophobicContact CB-CD1 3.93Å
331	S	93	Very high	94.1	Very high	21 Å²	21	12.7 Å²	12.7	15%	0.147	6%	0.061	C	C	.	.	H	α-helix	trans	-64.2	-43.9	170.2	-60.8	0	0	0	0	109.5	D329 A334 V335 I386 E387	D329-S331 VanDerWaalsContact OD1-CA 3.31Å; D329-S331 WeakPolarHBondContact OD1-CA 3.36Å; D329-S331 WeakPolarHBondContact OD1-CB 3.43Å; D329-S331 PolarHBondContact OD1-N 2.91Å; S331-A334 PolarHBondContact O-N 3Å; S331-V335 WeakPolarHBondContact O-CG2 3.24Å; S331-V335 PolarHBondContact O-N 3.31Å; S331-I386 WeakPolarHBondContact OG-CD1 3.18Å; S331-E387 PolarHBondContact OG-N 2.64Å; S331-E387 PolarHBondContact OG-O 2.74Å
332	K	92.6	Very high	93.6	Very high	51 Å²	51	10 Å²	10	22%	0.222	5%	0.05	C	C	.	.	H	α-helix	trans	-67.3	-37.3	176.4	-66.6	170.1	179.7	114.8	0	112.3	I265 G266 D329 L330 A334 V335 A336	I265-K332 HydrophobicContact CG2-CB 4.26Å; I265-K332 WeakPolarHBondContact O-CD 3.3Å; G266-K332 WeakPolarHBondContact O-CD 3.48Å; G266-K332 WeakPolarHBondContact O-CE 3.22Å; D329-K332 WeakPolarHBondContact OD1-CG 3.35Å; D329-K332 PolarHBondContact OD1-N 2.86Å; D329-K332 IonicContact OD2-NZ 3.62Å; D329-K332 PolarHBondContact OD2-NZ 3.32Å; L330-K332 VanDerWaalsContact C-N 3.33Å; K332-A334 VanDerWaalsContact C-N 3.34Å; K332-A334 PolarHBondContact O-N 3.07Å; K332-V335 PolarHBondContact O-N 3.46Å; K332-A336 PolarHBondContact O-N 3.41Å
333	Q	95.4	Very high	92.9	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-59.3	-44.3	170.6	-164.7	-163.3	18.3	0	0	111.6	I265 Y303 P306 Y307 D329 L330 A336 Y337 L360 H361	I265-Q333 HydrophobicContact CG2-CB 4.3Å; Y303-Q333 PolarHBondContact O-NE2 3.12Å; P306-Q333 HydrophobicContact CG-CB 4.46Å; P306-Q333 HydrophobicContact CG-CG 4.04Å; Y307-Q333 VanDerWaalsContact CE2-NE2 3.32Å; D329-Q333 PolarHBondContact O-N 3.19Å; L330-Q333 HydrophobicContact CD2-CB 4.48Å; L330-Q333 PolarHBondContact O-N 3.04Å; Q333-A336 PolarHBondContact O-N 3.47Å; Q333-Y337 PolarHBondContact O-N 3.29Å; Q333-L360 HydrophobicContact CG-CD2 4.46Å; Q333-H361 PolarHBondContact OE1-CD2 3.29Å
334	A	94	Very high	92	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-65.2	-38.4	178.5	0	0	0	0	0	112.5	L330 S331 K332 Y337 R338 Y353 V357 H361 I397	L330-A334 PolarHBondContact O-N 3.2Å; S331-A334 PolarHBondContact O-N 3Å; K332-A334 VanDerWaalsContact C-N 3.34Å; K332-A334 PolarHBondContact O-N 3.07Å; A334-Y337 PolarHBondContact O-N 3.29Å; A334-R338 WeakPolarHBondContact O-CB 3.39Å; A334-R338 PolarHBondContact O-N 3.03Å; A334-Y353 HydrophobicContact CB-CD1 4.23Å; A334-Y353 HydrophobicContact CB-CE1 3.78Å; A334-Y353 WeakPolarHBondContact O-CE1 3.25Å; A334-V357 HydrophobicContact CB-CG2 4.07Å; A334-H361 VanDerWaalsContact CB-NE2 3.25Å; A334-H361 WeakPolarHBondContact CB-NE2 3.48Å; A334-I397 HydrophobicContact CB-CD1 3.84Å; A334-I397 HydrophobicContact CB-CG1 4.02Å; A334-I397 HydrophobicContact CB-CG2 4.18Å
335	V	91.8	Very high	91.2	Very high	40 Å²	40	18.6 Å²	18.6	24%	0.242	8%	0.084	C	C	.	.	H	α-helix	trans	-63.2	-44.9	174.9	171.8	0	0	0	0	110.9	S331 K332 Y337 R338 E339 A862	S331-V335 WeakPolarHBondContact O-CG2 3.24Å; S331-V335 PolarHBondContact O-N 3.31Å; K332-V335 PolarHBondContact O-N 3.46Å; V335-Y337 PolarHBondContact O-N 3.18Å; V335-R338 WeakPolarHBondContact O-CB 3.39Å; V335-R338 PolarHBondContact O-N 3.17Å; V335-E339 PolarHBondContact O-N 2.93Å; V335-A862 HydrophobicContact CG1-CB 4.25Å
336	A	91.9	Very high	90.5	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.008	10%	0.095	C	C	.	.	H	α-helix	trans	-61.2	-42.1	174.8	0	0	0	0	0	112.3	L302 K332 Q333 R338 E339 L340	L302-A336 HydrophobicContact CB-CB 3.8Å; K332-A336 PolarHBondContact O-N 3.41Å; Q333-A336 PolarHBondContact O-N 3.47Å; A336-R338 VanDerWaalsContact C-N 3.32Å; A336-R338 PolarHBondContact O-N 2.99Å; A336-E339 PolarHBondContact O-N 3.42Å; A336-L340 WeakPolarHBondContact O-CG 3.47Å; A336-L340 PolarHBondContact O-N 3.11Å
337	Y	92.4	Very high	89.8	Confident	8 Å²	8	27 Å²	27	3%	0.031	13%	0.131	C	C	.	.	H	α-helix	trans	-68	-30.4	176.6	-168	-127.2	0	0	0	113.3	Y303 Q333 A334 V335 S341 R346 P354 D356 L360	Y303-Y337 AromaticContact CD2-CD2 3.41Å; Y303-Y337 HydrophobicContact CD2-CD2 3.41Å; Y303-Y337 VanDerWaalsContact CD2-CD2 3.41Å; Y303-Y337 HydrophobicContact CD2-CE2 4.18Å; Y303-Y337 HydrophobicContact CD2-CG 4.02Å; Y303-Y337 AromaticContact CE2-CD2 3.37Å; Y303-Y337 HydrophobicContact CE2-CD2 3.37Å; Y303-Y337 AromaticContact CE2-CE2 3.66Å; Y303-Y337 HydrophobicContact CE2-CE2 3.66Å; Y303-Y337 HydrophobicContact CE2-CG 4.16Å; Q333-Y337 PolarHBondContact O-N 3.29Å; A334-Y337 PolarHBondContact O-N 3.29Å; V335-Y337 PolarHBondContact O-N 3.18Å; Y337-S341 VanDerWaalsContact O-CB 3.29Å; Y337-S341 WeakPolarHBondContact O-CB 3.47Å; Y337-S341 PolarHBondContact O-N 2.92Å; Y337-S341 PolarHBondContact O-OG 3.48Å; Y337-R346 PolarHBondContact OH-NH1 2.89Å; Y337-P354 HydrophobicContact CD1-CG 3.52Å; Y337-P354 HydrophobicContact CE1-CB 4.43Å; Y337-P354 HydrophobicContact CE1-CG 3.48Å; Y337-P354 VanDerWaalsContact CE1-CG 3.48Å; Y337-P354 HydrophobicContact CG-CG 4.46Å; Y337-D356 WeakPolarHBondContact CE1-OD1 3.43Å; Y337-D356 PolarHBondContact OH-OD2 3.3Å; Y337-L360 HydrophobicContact CD1-CB 4.46Å; Y337-L360 HydrophobicContact CD1-CD1 4.09Å; Y337-L360 HydrophobicContact CD1-CD2 3.88Å; Y337-L360 HydrophobicContact CD1-CG 4.38Å; Y337-L360 HydrophobicContact CD2-CD1 4.36Å; Y337-L360 HydrophobicContact CE1-CD1 4.32Å; Y337-L360 HydrophobicContact CG-CD1 4.13Å; Y337-L360 HydrophobicContact CG-CD2 4Å
338	R	91.7	Very high	89.4	Confident	37 Å²	37	30.4 Å²	30.4	14%	0.14	15%	0.153	C	C	.	.	H	α-helix	trans	-65.6	-48.4	171.6	173.8	174.5	68.6	-178.8	1.7	111.7	A334 V335 A336 S341 L342 E351 A352 Y353	A334-R338 WeakPolarHBondContact O-CB 3.39Å; A334-R338 PolarHBondContact O-N 3.03Å; V335-R338 WeakPolarHBondContact O-CB 3.39Å; V335-R338 PolarHBondContact O-N 3.17Å; A336-R338 VanDerWaalsContact C-N 3.32Å; A336-R338 PolarHBondContact O-N 2.99Å; R338-S341 PolarHBondContact O-N 3.39Å; R338-L342 HydrophobicContact CG-CD1 3.93Å; R338-L342 HydrophobicContact CG-CG 4.45Å; R338-L342 WeakPolarHBondContact O-CG 3.4Å; R338-L342 PolarHBondContact O-N 2.58Å; R338-E351 WeakPolarHBondContact CD-O 3.5Å; R338-E351 PolarHBondContact NH1-O 3.28Å; R338-A352 WeakPolarHBondContact CG-O 3.31Å; R338-Y353 HydrophobicContact CB-CD1 3.75Å; R338-Y353 HydrophobicContact CB-CE1 4.15Å; R338-Y353 HydrophobicContact CG-CD1 4.35Å
339	E	88.6	Confident	88.9	Confident	12 Å²	12	32.3 Å²	32.3	6%	0.056	17%	0.173	C	C	.	.	H	α-helix	trans	-57.3	-52.9	176.6	178.1	179.2	178.1	0	0	111.3	S299 V335 A336 S341 L342 L343 P859 T860 T863	S299-E339 VanDerWaalsContact CB-OE2 3.29Å; S299-E339 WeakPolarHBondContact CB-OE2 3.2Å; S299-E339 PolarHBondContact OG-OE2 2.72Å; V335-E339 PolarHBondContact O-N 2.93Å; A336-E339 PolarHBondContact O-N 3.42Å; E339-S341 VanDerWaalsContact C-N 3.29Å; E339-S341 PolarHBondContact O-N 3.21Å; E339-L342 PolarHBondContact O-N 2.84Å; E339-L342 VanDerWaalsContact O-N 3.16Å; E339-L343 HydrophobicContact CG-CD1 3.86Å; E339-L343 HydrophobicContact CG-CG 4.48Å; E339-L343 WeakPolarHBondContact O-CG 3.42Å; E339-L343 PolarHBondContact O-N 2.83Å; E339-P859 HydrophobicContact CG-CB 4.4Å; E339-P859 WeakPolarHBondContact CG-O 3.28Å; E339-T860 WeakPolarHBondContact OE1-CA 3.33Å; E339-T860 WeakPolarHBondContact OE1-CG2 3.39Å; E339-T863 PolarHBondContact OE1-OG1 2.87Å; E339-T863 PolarHBondContact OE2-OG1 3.25Å
340	L	87.3	Confident	88.6	Confident	1 Å²	1	38.6 Å²	38.6	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-51.8	-47.3	174.6	-72.6	171.7	0	0	0	112.2	I141 P300 Y303 A336 L343 L344	I141-L340 HydrophobicContact CG2-CD2 3.72Å; P300-L340 HydrophobicContact CG-CD2 3.9Å; Y303-L340 HydrophobicContact CD1-CD1 4.39Å; Y303-L340 HydrophobicContact CD2-CD1 4.26Å; Y303-L340 HydrophobicContact CG-CD1 3.85Å; A336-L340 WeakPolarHBondContact O-CG 3.47Å; A336-L340 PolarHBondContact O-N 3.11Å; L340-L343 PolarHBondContact O-N 3.05Å; L340-L344 VanDerWaalsContact O-CB 3.31Å; L340-L344 WeakPolarHBondContact O-CB 3.34Å; L340-L344 WeakPolarHBondContact O-CD1 3.26Å; L340-L344 VanDerWaalsContact O-CG 3.24Å; L340-L344 WeakPolarHBondContact O-CG 3.25Å; L340-L344 PolarHBondContact O-N 2.9Å
341	S	88.2	Confident	88	Confident	4 Å²	4	42.2 Å²	42.2	3%	0.028	21%	0.214	C	C	.	.	H	α-helix	trans	-65.9	-38.9	-179	-64.7	0	0	0	0	113	Y337 R338 E339 R345 R346 P354	Y337-S341 VanDerWaalsContact O-CB 3.29Å; Y337-S341 WeakPolarHBondContact O-CB 3.47Å; Y337-S341 PolarHBondContact O-N 2.92Å; Y337-S341 PolarHBondContact O-OG 3.48Å; R338-S341 PolarHBondContact O-N 3.39Å; E339-S341 VanDerWaalsContact C-N 3.29Å; E339-S341 PolarHBondContact O-N 3.21Å; S341-R345 PolarHBondContact O-N 2.7Å; S341-R346 WeakPolarHBondContact O-CB 3.05Å; S341-R346 PolarHBondContact O-N 3.2Å; S341-P354 WeakPolarHBondContact OG-CG 3.34Å
342	L	85.6	Confident	87.7	Confident	2 Å²	2	42 Å²	42	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-69.3	-41.6	177	-71.3	171.4	0	0	0	111.9	R338 E339 R345 P348 M851 P859	R338-L342 HydrophobicContact CG-CD1 3.93Å; R338-L342 HydrophobicContact CG-CG 4.45Å; R338-L342 WeakPolarHBondContact O-CG 3.4Å; R338-L342 PolarHBondContact O-N 2.58Å; E339-L342 PolarHBondContact O-N 2.84Å; E339-L342 VanDerWaalsContact O-N 3.16Å; L342-R345 WeakPolarHBondContact O-CA 3.35Å; L342-R345 PolarHBondContact O-N 2.65Å; L342-P348 HydrophobicContact CD2-CB 4.01Å; L342-P348 HydrophobicContact CD2-CG 4.17Å; L342-M851 HydrophobicContact CD2-CE 3.88Å; L342-P859 HydrophobicContact CB-CB 4.06Å; L342-P859 HydrophobicContact CD1-CB 4.07Å
343	L	82.6	Confident	87.6	Confident	31 Å²	31	40.6 Å²	40.6	16%	0.162	21%	0.207	C	C	.	.	H	α-helix	trans	-65.8	-39.8	176	-67	170	0	0	0	111.6	D103 I105 E339 L340 R345 R850 P859 T860	D103-L343 HydrophobicContact CB-CD1 3.79Å; D103-L343 HydrophobicContact CB-CD2 3.92Å; D103-L343 HydrophobicContact CB-CG 4.47Å; I105-L343 HydrophobicContact CD1-CB 3.41Å; I105-L343 VanDerWaalsContact CD1-CB 3.41Å; I105-L343 HydrophobicContact CD1-CD1 4.17Å; I105-L343 HydrophobicContact CD1-CG 4.44Å; E339-L343 HydrophobicContact CG-CD1 3.86Å; E339-L343 HydrophobicContact CG-CG 4.48Å; E339-L343 WeakPolarHBondContact O-CG 3.42Å; E339-L343 PolarHBondContact O-N 2.83Å; L340-L343 PolarHBondContact O-N 3.05Å; L343-R345 PolarHBondContact O-N 3Å; L343-R345 VanDerWaalsContact O-N 3.16Å; L343-R850 HydrophobicContact CD2-CG 4.4Å; L343-P859 HydrophobicContact CD2-CG 3.86Å; L343-P859 HydrophobicContact CG-CG 4.36Å; L343-T860 HydrophobicContact CD1-CG2 4.49Å
344	L	80	Confident	87.3	Confident	10 Å²	10	40.7 Å²	40.7	5%	0.052	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	3.2	170.5	-69.1	165.8	0	0	0	114.1	I105 L340 R346	I105-L344 HydrophobicContact CD1-CD2 4.08Å; I105-L344 HydrophobicContact CD1-CG 3.8Å; I105-L344 HydrophobicContact CG1-CD2 4.28Å; I105-L344 HydrophobicContact CG1-CG 4.43Å; I105-L344 HydrophobicContact CG2-CD2 3.87Å; L340-L344 VanDerWaalsContact O-CB 3.31Å; L340-L344 WeakPolarHBondContact O-CB 3.34Å; L340-L344 WeakPolarHBondContact O-CD1 3.26Å; L340-L344 VanDerWaalsContact O-CG 3.24Å; L340-L344 WeakPolarHBondContact O-CG 3.25Å; L340-L344 PolarHBondContact O-N 2.9Å; L344-R346 HydrophobicContact CB-CG 4.31Å; L344-R346 PolarHBondContact O-N 3.15Å
345	R	81.5	Confident	87	Confident	168 Å²	168	44 Å²	44	63%	0.634	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	28.4	179.6	-60.7	179.8	170.1	174.9	-4.4	114.2	S341 L342 L343 G849 M851	S341-R345 PolarHBondContact O-N 2.7Å; L342-R345 WeakPolarHBondContact O-CA 3.35Å; L342-R345 PolarHBondContact O-N 2.65Å; L343-R345 PolarHBondContact O-N 3Å; L343-R345 VanDerWaalsContact O-N 3.16Å; R345-G849 PolarHBondContact NH2-O 3.02Å; R345-M851 HydrophobicContact CB-SD 4.45Å; R345-M851 HydrophobicContact CG-CG 4.45Å; R345-M851 HydrophobicContact CG-SD 4.47Å
346	R	82.2	Confident	87	Confident	62 Å²	62	44.5 Å²	44.5	23%	0.234	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-69.5	141.3	170.5	-65	-177	170.2	-161.8	-3.5	109.8	N132 Y337 S341 L344 P348	N132-R346 PolarHBondContact OD1-NE 3.49Å; N132-R346 PolarHBondContact OD1-NH2 2.85Å; Y337-R346 PolarHBondContact OH-NH1 2.89Å; S341-R346 WeakPolarHBondContact O-CB 3.05Å; S341-R346 PolarHBondContact O-N 3.2Å; L344-R346 HydrophobicContact CB-CG 4.31Å; L344-R346 PolarHBondContact O-N 3.15Å; R346-P348 WeakPolarHBondContact O-CD 3.5Å
347	P	84.5	Confident	87	Confident	115 Å²	115	44.5 Å²	44.5	75%	0.747	24%	0.243	S	C	*	.	P	Polyproline II helix	trans	-61.2	124.8	178.5	-25.6	35.3	0	0	0	112.9
348	P	88.2	Confident	87.1	Confident	71 Å²	71	48.2 Å²	48.2	46%	0.461	26%	0.259	S	S	.	.	B	Isolated β-bridge	trans	-80.2	157.9	177.8	31.8	-34.6	0	0	0	112.9	L342 R346 A352	L342-P348 HydrophobicContact CD2-CB 4.01Å; L342-P348 HydrophobicContact CD2-CG 4.17Å; R346-P348 WeakPolarHBondContact O-CD 3.5Å; P348-A352 HydrophobicContact CB-CB 4.36Å; P348-A352 WeakPolarHBondContact CB-O 3.44Å
349	G	87.3	Confident	87.2	Confident	44 Å²	44	53 Å²	53	45%	0.454	28%	0.278	S	S	.	.			trans	-115.6	-142.7	174.5	0	0	0	0	0	113.1	A352 Y353	G349-A352 PolarHBondContact O-N 3.22Å; G349-Y353 WeakPolarHBondContact CA-O 3.35Å; G349-Y353 PolarHBondContact N-O 3.12Å
350	R	86.4	Confident	87.4	Confident	133 Å²	133	52.5 Å²	52.5	50%	0.502	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-59.6	137.4	178.6	177.7	172.9	168.9	-174	-13.5	110.5	A352 Y353 S394 Y396	R350-A352 PolarHBondContact O-N 2.74Å; R350-Y353 WeakPolarHBondContact O-CD2 3.27Å; R350-Y353 PolarHBondContact O-N 3.45Å; R350-Y353 VanDerWaalsContact O-N 3.08Å; R350-S394 PolarHBondContact NH2-O 2.99Å; R350-Y396 HydrophobicContact CB-CD1 4.11Å; R350-Y396 HydrophobicContact CB-CE1 4.28Å; R350-Y396 HydrophobicContact CB-CG 4.46Å; R350-Y396 HydrophobicContact CG-CD1 4.26Å; R350-Y396 HydrophobicContact CG-CG 4.23Å
351	E	82.7	Confident	87.8	Confident	75 Å²	75	52.5 Å²	52.5	35%	0.35	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	53.4	28.4	-178.8	-67.7	150.1	-137.7	0	0	112.9	R338 Y353 Y396	R338-E351 WeakPolarHBondContact CD-O 3.5Å; R338-E351 PolarHBondContact NH1-O 3.28Å; E351-Y353 HydrophobicContact CB-CD2 3.65Å; E351-Y353 HydrophobicContact CB-CE2 3.63Å; E351-Y353 PolarHBondContact O-N 3.31Å; E351-Y353 VanDerWaalsContact O-N 3.16Å; E351-Y396 WeakPolarHBondContact OE1-CB 3.33Å; E351-Y396 VanDerWaalsContact OE2-CB 3.23Å; E351-Y396 WeakPolarHBondContact OE2-CB 3.5Å; E351-Y396 PolarHBondContact OE2-N 3.17Å
352	A	86.7	Confident	88.1	Confident	18 Å²	18	53.3 Å²	53.3	15%	0.149	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	60.8	3.9	-173.8	0	0	0	0	0	116.7	R338 P348 G349 R350	R338-A352 WeakPolarHBondContact CG-O 3.31Å; P348-A352 HydrophobicContact CB-CB 4.36Å; P348-A352 WeakPolarHBondContact CB-O 3.44Å; G349-A352 PolarHBondContact O-N 3.22Å; R350-A352 PolarHBondContact O-N 2.74Å
353	Y	90.3	Very high	88.5	Confident	20 Å²	20	55.7 Å²	55.7	8%	0.078	29%	0.29	C	S	.	.			trans	-66.6	149.2	174.7	-63.8	-79.5	0	0	0	111.8	A334 R338 G349 R350 E351 V357 Y396 I397	A334-Y353 HydrophobicContact CB-CD1 4.23Å; A334-Y353 HydrophobicContact CB-CE1 3.78Å; A334-Y353 WeakPolarHBondContact O-CE1 3.25Å; R338-Y353 HydrophobicContact CB-CD1 3.75Å; R338-Y353 HydrophobicContact CB-CE1 4.15Å; R338-Y353 HydrophobicContact CG-CD1 4.35Å; G349-Y353 WeakPolarHBondContact CA-O 3.35Å; G349-Y353 PolarHBondContact N-O 3.12Å; R350-Y353 WeakPolarHBondContact O-CD2 3.27Å; R350-Y353 PolarHBondContact O-N 3.45Å; R350-Y353 VanDerWaalsContact O-N 3.08Å; E351-Y353 HydrophobicContact CB-CD2 3.65Å; E351-Y353 HydrophobicContact CB-CE2 3.63Å; E351-Y353 PolarHBondContact O-N 3.31Å; E351-Y353 VanDerWaalsContact O-N 3.16Å; Y353-V357 HydrophobicContact CD1-CG2 4.22Å; Y353-Y396 AromaticContact CD2-CD1 3.97Å; Y353-Y396 HydrophobicContact CD2-CD1 3.97Å; Y353-I397 HydrophobicContact CD1-CD1 3.98Å; Y353-I397 HydrophobicContact CD2-CD1 3.99Å; Y353-I397 HydrophobicContact CD2-CG1 4.35Å; Y353-I397 HydrophobicContact CE1-CD1 3.96Å; Y353-I397 HydrophobicContact CE1-CG1 4.06Å; Y353-I397 HydrophobicContact CE2-CD1 3.94Å; Y353-I397 HydrophobicContact CE2-CG1 3.79Å; Y353-I397 HydrophobicContact CG-CD1 4.02Å
354	P	89.8	Confident	89.2	Confident	3 Å²	3	54.2 Å²	54.2	2%	0.019	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-70.1	153.2	176	34.6	-39.9	0	0	0	111.1	Y337 S341 D356 V357	Y337-P354 HydrophobicContact CD1-CG 3.52Å; Y337-P354 HydrophobicContact CE1-CB 4.43Å; Y337-P354 HydrophobicContact CE1-CG 3.48Å; Y337-P354 VanDerWaalsContact CE1-CG 3.48Å; Y337-P354 HydrophobicContact CG-CG 4.46Å; S341-P354 WeakPolarHBondContact OG-CG 3.34Å; P354-D356 WeakPolarHBondContact CB-OD1 3.49Å; P354-D356 PolarHBondContact O-N 2.75Å; P354-V357 HydrophobicContact CG-CB 4.4Å; P354-V357 WeakPolarHBondContact O-CB 3.16Å; P354-V357 WeakPolarHBondContact O-CG1 3.42Å; P354-V357 PolarHBondContact O-N 2.67Å
355	G	87.7	Confident	90	Very high	68 Å²	68	53.7 Å²	53.7	70%	0.701	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-15.4	-173.6	0	0	0	0	0	115.4
356	D	91.7	Very high	90.7	Very high	52 Å²	52	48.6 Å²	48.6	28%	0.278	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	7.5	177.3	65.1	-30.5	0	0	0	113.6	Y337 P354 F358 Y359 L360	Y337-D356 WeakPolarHBondContact CE1-OD1 3.43Å; Y337-D356 PolarHBondContact OH-OD2 3.3Å; P354-D356 WeakPolarHBondContact CB-OD1 3.49Å; P354-D356 PolarHBondContact O-N 2.75Å; D356-F358 PolarHBondContact O-N 2.64Å; D356-F358 VanDerWaalsContact O-N 3.15Å; D356-Y359 CarbonylContact O-C 3.6Å; D356-Y359 WeakPolarHBondContact O-CA 3.48Å; D356-Y359 WeakPolarHBondContact O-CB 3.35Å; D356-Y359 PolarHBondContact O-N 2.95Å; D356-L360 PolarHBondContact O-N 3.15Å
357	V	91.9	Very high	91.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-58.9	-26.9	175.8	74.1	0	0	0	0	113.1	A334 Y353 P354 L360 H361 Y396 I397	A334-V357 HydrophobicContact CB-CG2 4.07Å; Y353-V357 HydrophobicContact CD1-CG2 4.22Å; P354-V357 HydrophobicContact CG-CB 4.4Å; P354-V357 WeakPolarHBondContact O-CB 3.16Å; P354-V357 WeakPolarHBondContact O-CG1 3.42Å; P354-V357 PolarHBondContact O-N 2.67Å; V357-L360 WeakPolarHBondContact O-CB 3.32Å; V357-H361 PolarHBondContact O-N 3.26Å; V357-Y396 HydrophobicContact CG1-CD1 4.47Å; V357-Y396 HydrophobicContact CG1-CE1 3.65Å; V357-I397 HydrophobicContact CG1-CD1 4.21Å; V357-I397 HydrophobicContact CG2-CD1 3.8Å
358	F	94.1	Very high	91.9	Very high	86 Å²	86	40.2 Å²	40.2	38%	0.377	22%	0.217	S	C	.	.	H	α-helix	trans	-66.9	-42.5	169.1	177.7	-87.6	0	0	0	111.9	D356 L360 H361 S362 N400 S403 I404	D356-F358 PolarHBondContact O-N 2.64Å; D356-F358 VanDerWaalsContact O-N 3.15Å; F358-L360 VanDerWaalsContact C-N 3.34Å; F358-H361 PolarHBondContact O-N 2.79Å; F358-S362 WeakPolarHBondContact O-CB 3.29Å; F358-S362 PolarHBondContact O-N 3.02Å; F358-S362 PolarHBondContact O-OG 3.38Å; F358-N400 HydrophobicContact CD2-CB 4.09Å; F358-S403 WeakPolarHBondContact CE2-OG 3.41Å; F358-I404 HydrophobicContact CD2-CD1 4.16Å; F358-I404 HydrophobicContact CE2-CD1 3.89Å; F358-I404 HydrophobicContact CE2-CG1 3.85Å; F358-I404 HydrophobicContact CZ-CD1 4.25Å; F358-I404 HydrophobicContact CZ-CG1 3.97Å
359	Y	93	Very high	92.3	Very high	137 Å²	137	37 Å²	37	54%	0.537	20%	0.196	S	C	.	.	H	α-helix	trans	-67.9	-34.6	178.9	-180	-119.3	0	0	0	111.8	D356 S362 R363	D356-Y359 CarbonylContact O-C 3.6Å; D356-Y359 WeakPolarHBondContact O-CA 3.48Å; D356-Y359 WeakPolarHBondContact O-CB 3.35Å; D356-Y359 PolarHBondContact O-N 2.95Å; Y359-S362 WeakPolarHBondContact CA-OG 3.33Å; Y359-S362 PolarHBondContact O-N 2.96Å; Y359-S362 PolarHBondContact O-OG 3.48Å; Y359-R363 HydrophobicContact CD2-CB 4.37Å; Y359-R363 VanDerWaalsContact CE1-CD 3.49Å; Y359-R363 HydrophobicContact CE2-CB 4Å; Y359-R363 WeakPolarHBondContact O-CB 3.45Å; Y359-R363 WeakPolarHBondContact O-CD 3.44Å; Y359-R363 WeakPolarHBondContact O-CG 3.2Å; Y359-R363 PolarHBondContact O-N 3.34Å
360	L	93.5	Very high	92.7	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.016	18%	0.176	C	C	.	.	H	α-helix	trans	-51.5	-56.8	170.9	-173.9	82.8	0	0	0	111.6	Y303 Y307 Q333 Y337 D356 V357 F358 L364	Y303-L360 HydrophobicContact CD2-CD1 4.03Å; Y303-L360 HydrophobicContact CE2-CD1 3.45Å; Y303-L360 VanDerWaalsContact CE2-CD1 3.45Å; Y307-L360 HydrophobicContact CE2-CD1 4.03Å; Y307-L360 VanDerWaalsContact OH-CD1 3.23Å; Y307-L360 WeakPolarHBondContact OH-CD1 3.31Å; Y307-L360 PolarHBondContact OH-O 3.46Å; Q333-L360 HydrophobicContact CG-CD2 4.46Å; Y337-L360 HydrophobicContact CD1-CB 4.46Å; Y337-L360 HydrophobicContact CD1-CD1 4.09Å; Y337-L360 HydrophobicContact CD1-CD2 3.88Å; Y337-L360 HydrophobicContact CD1-CG 4.38Å; Y337-L360 HydrophobicContact CD2-CD1 4.36Å; Y337-L360 HydrophobicContact CE1-CD1 4.32Å; Y337-L360 HydrophobicContact CG-CD1 4.13Å; Y337-L360 HydrophobicContact CG-CD2 4Å; D356-L360 PolarHBondContact O-N 3.15Å; V357-L360 WeakPolarHBondContact O-CB 3.32Å; F358-L360 VanDerWaalsContact C-N 3.34Å; L360-L364 WeakPolarHBondContact O-CB 3.15Å; L360-L364 PolarHBondContact O-N 2.74Å
361	H	96.3	Very high	93.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-74.2	-32.4	-178.2	-66	164.7	0	0	0	112.8	L330 Q333 A334 V357 F358 L365 I397 V401 I404	L330-H361 PolarHBondContact O-NE2 2.81Å; Q333-H361 PolarHBondContact OE1-CD2 3.29Å; A334-H361 VanDerWaalsContact CB-NE2 3.25Å; A334-H361 WeakPolarHBondContact CB-NE2 3.48Å; V357-H361 PolarHBondContact O-N 3.26Å; F358-H361 PolarHBondContact O-N 2.79Å; H361-L365 WeakPolarHBondContact O-CB 3.33Å; H361-L365 WeakPolarHBondContact O-CG 3.44Å; H361-L365 PolarHBondContact O-N 2.9Å; H361-I397 WeakPolarHBondContact NE2-CG2 3.22Å; H361-V401 HydrophobicContact CB-CG2 4.28Å; H361-V401 WeakPolarHBondContact CE1-CG2 3.31Å; H361-V401 WeakPolarHBondContact ND1-CG2 3.48Å; H361-I404 HydrophobicContact CB-CD1 3.92Å
362	S	95.2	Very high	93.7	Very high	22 Å²	22	26.5 Å²	26.5	15%	0.154	14%	0.144	C	C	.	.	H	α-helix	trans	-70.4	-42.7	178.6	70.9	0	0	0	0	112.4	F358 Y359 L364 L365 E366	F358-S362 WeakPolarHBondContact O-CB 3.29Å; F358-S362 PolarHBondContact O-N 3.02Å; F358-S362 PolarHBondContact O-OG 3.38Å; Y359-S362 WeakPolarHBondContact CA-OG 3.33Å; Y359-S362 PolarHBondContact O-N 2.96Å; Y359-S362 PolarHBondContact O-OG 3.48Å; S362-L364 VanDerWaalsContact C-N 3.28Å; S362-L364 PolarHBondContact O-N 3.24Å; S362-L365 PolarHBondContact O-N 3.5Å; S362-E366 WeakPolarHBondContact O-CB 3.44Å; S362-E366 VanDerWaalsContact O-CG 3.31Å; S362-E366 WeakPolarHBondContact O-CG 3.38Å; S362-E366 PolarHBondContact O-N 3.28Å
363	R	93.9	Very high	93.9	Very high	51 Å²	51	30.8 Å²	30.8	19%	0.192	16%	0.164	C	C	.	.	H	α-helix	trans	-71	-22.7	177.7	82	-162.2	-173.2	122	10.6	113.3	E197 Y303 Y307 Y359 R367	E197-R363 VanDerWaalsContact CD-NH1 3.26Å; E197-R363 VanDerWaalsContact CD-NH2 3.35Å; E197-R363 IonicContact OE1-CZ 2.95Å; E197-R363 IonicContact OE1-NH1 2.7Å; E197-R363 PolarHBondContact OE1-NH1 3.47Å; E197-R363 IonicContact OE1-NH2 2.75Å; E197-R363 PolarHBondContact OE1-NH2 2.98Å; E197-R363 IonicContact OE2-CZ 2.77Å; E197-R363 IonicContact OE2-NH1 3.96Å; E197-R363 PolarHBondContact OE2-NH1 3.44Å; E197-R363 IonicContact OE2-NH2 3.65Å; Y303-R363 PolarHBondContact OH-NH2 2.89Å; Y307-R363 HydrophobicContact CE1-CG 4.12Å; Y307-R363 PolarHBondContact OH-NE 2.91Å; Y307-R363 PolarHBondContact OH-NH2 3.35Å; Y359-R363 HydrophobicContact CD2-CB 4.37Å; Y359-R363 VanDerWaalsContact CE1-CD 3.49Å; Y359-R363 HydrophobicContact CE2-CB 4Å; Y359-R363 WeakPolarHBondContact O-CB 3.45Å; Y359-R363 WeakPolarHBondContact O-CD 3.44Å; Y359-R363 WeakPolarHBondContact O-CG 3.2Å; Y359-R363 PolarHBondContact O-N 3.34Å; R363-R367 WeakPolarHBondContact O-CD 3.47Å; R363-R367 WeakPolarHBondContact O-CG 3.34Å
364	L	96.6	Very high	94	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-72.1	-60.6	167.6	175.4	66.9	0	0	0	110.7	P306 Y307 V310 Y327 L330 L360 S362 E366 R367	P306-L364 HydrophobicContact CB-CD1 3.72Å; P306-L364 HydrophobicContact CB-CD2 3.59Å; P306-L364 HydrophobicContact CB-CG 4.32Å; Y307-L364 HydrophobicContact CD1-CD1 4.16Å; Y307-L364 HydrophobicContact CE1-CB 4.08Å; Y307-L364 HydrophobicContact CE1-CD1 4.28Å; V310-L364 HydrophobicContact CB-CD1 4.49Å; V310-L364 HydrophobicContact CG1-CD1 3.92Å; Y327-L364 HydrophobicContact CE1-CD1 4.23Å; L330-L364 HydrophobicContact CD1-CD2 4.21Å; L330-L364 HydrophobicContact CD2-CD2 3.82Å; L360-L364 WeakPolarHBondContact O-CB 3.15Å; L360-L364 PolarHBondContact O-N 2.74Å; S362-L364 VanDerWaalsContact C-N 3.28Å; S362-L364 PolarHBondContact O-N 3.24Å; L364-E366 PolarHBondContact O-N 3.31Å; L364-R367 WeakPolarHBondContact O-CB 3.36Å; L364-R367 PolarHBondContact O-N 3.33Å
365	L	96.9	Very high	94.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-73.9	-26.6	-169.2	-65.8	173.8	0	0	0	113.7	R231 Y327 L330 H361 S362 R367 S368 P384 V401 I404 T405	R231-L365 WeakPolarHBondContact CD-O 3.07Å; Y327-L365 HydrophobicContact CD2-CD2 4.44Å; Y327-L365 HydrophobicContact CE2-CD2 3.98Å; L330-L365 HydrophobicContact CD1-CD1 4.27Å; L330-L365 HydrophobicContact CD1-CD2 4.37Å; H361-L365 WeakPolarHBondContact O-CB 3.33Å; H361-L365 WeakPolarHBondContact O-CG 3.44Å; H361-L365 PolarHBondContact O-N 2.9Å; S362-L365 PolarHBondContact O-N 3.5Å; L365-R367 PolarHBondContact O-N 3.44Å; L365-S368 PolarHBondContact O-N 3.43Å; L365-S368 VanDerWaalsContact O-N 3.14Å; L365-P384 HydrophobicContact CD1-CG 4.3Å; L365-P384 HydrophobicContact CD2-CB 4.01Å; L365-P384 HydrophobicContact CD2-CG 3.93Å; L365-V401 HydrophobicContact CD1-CG1 4.1Å; L365-I404 HydrophobicContact CB-CG2 3.84Å; L365-I404 HydrophobicContact CD1-CG2 3.8Å; L365-I404 HydrophobicContact CG-CG2 4.43Å; L365-T405 HydrophobicContact CD1-CG2 4.14Å
366	E	95.8	Very high	94.1	Very high	60 Å²	60	35.8 Å²	35.8	28%	0.28	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-16.8	174.3	-78.7	-65.4	143.7	0	0	114	A200 R206 R231 S362 L364 S368	A200-E366 HydrophobicContact CB-CB 3.77Å; A200-E366 WeakPolarHBondContact CB-O 3.46Å; R206-E366 IonicContact CZ-OE2 3.52Å; R206-E366 IonicContact NH1-OE2 2.83Å; R206-E366 PolarHBondContact NH1-OE2 3.16Å; R206-E366 PolarHBondContact NH2-O 3.27Å; R206-E366 IonicContact NH2-OE2 3.41Å; R206-E366 PolarHBondContact NH2-OE2 2.76Å; R231-E366 IonicContact CZ-OE1 3.39Å; R231-E366 IonicContact NH1-OE1 3.49Å; R231-E366 PolarHBondContact NH1-OE1 3.1Å; R231-E366 IonicContact NH1-OE2 2.74Å; R231-E366 PolarHBondContact NH1-OE2 3.49Å; R231-E366 IonicContact NH2-OE1 3.62Å; S362-E366 WeakPolarHBondContact O-CB 3.44Å; S362-E366 VanDerWaalsContact O-CG 3.31Å; S362-E366 WeakPolarHBondContact O-CG 3.38Å; S362-E366 PolarHBondContact O-N 3.28Å; L364-E366 PolarHBondContact O-N 3.31Å; E366-S368 VanDerWaalsContact C-N 3.27Å
367	R	96.6	Very high	94.2	Very high	1 Å²	1	33.7 Å²	33.7	0%	0.004	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-24.5	173	-65.1	166.8	68.5	179.2	4.2	112.1	V196 T198 A200 V310 E314 R363 L364 L365 A369	V196-R367 PolarHBondContact O-NH1 3.12Å; T198-R367 PolarHBondContact OG1-NE 2.78Å; T198-R367 PolarHBondContact OG1-NH2 2.9Å; A200-R367 HydrophobicContact CB-CG 4.03Å; V310-R367 VanDerWaalsContact CG1-CZ 3.41Å; V310-R367 HydrophobicContact CG2-CB 3.99Å; E314-R367 IonicContact OE1-CZ 2.7Å; E314-R367 VanDerWaalsContact OE1-CZ 3.3Å; E314-R367 IonicContact OE1-NE 2.83Å; E314-R367 PolarHBondContact OE1-NE 3.31Å; E314-R367 IonicContact OE1-NH2 3.69Å; E314-R367 PolarHBondContact OE1-NH2 2.85Å; E314-R367 IonicContact OE2-NH2 2.68Å; R363-R367 WeakPolarHBondContact O-CD 3.47Å; R363-R367 WeakPolarHBondContact O-CG 3.34Å; L364-R367 WeakPolarHBondContact O-CB 3.36Å; L364-R367 PolarHBondContact O-N 3.33Å; L365-R367 PolarHBondContact O-N 3.44Å; R367-A369 PolarHBondContact O-N 3.1Å
368	S	95.9	Very high	94.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.191	C	C	.	.			trans	-80.9	108	175.9	-57.2	0	0	0	0	111.1	R231 L365 E366 I380	R231-S368 WeakPolarHBondContact CD-O 3.5Å; L365-S368 PolarHBondContact O-N 3.43Å; L365-S368 VanDerWaalsContact O-N 3.14Å; E366-S368 VanDerWaalsContact C-N 3.27Å; S368-I380 CarbonylContact C-O 3.49Å
369	A	96.1	Very high	94.5	Very high	4 Å²	4	29.6 Å²	29.6	3%	0.033	17%	0.173	C	C	.	.			trans	-152.9	172	-179.7	0	0	0	0	0	111.1	R206 R367 S379 I380	R206-A369 HydrophobicContact CG-CB 4.12Å; R367-A369 PolarHBondContact O-N 3.1Å; A369-S379 CarbonylContact O-C 3.57Å; A369-S379 VanDerWaalsContact O-CA 3.26Å; A369-S379 WeakPolarHBondContact O-CA 3.48Å; A369-I380 PolarHBondContact N-O 3.22Å; A369-I380 PolarHBondContact O-N 2.9Å
370	K	96	Very high	94.7	Very high	6 Å²	6	23 Å²	23	3%	0.026	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-93	124.5	157.9	-176.4	172.7	175.6	74	0	109.1	R206 K207 E211 G377	R206-K370 CarbonylContact C-O 3.14Å; R206-K370 VanDerWaalsContact CA-O 3.31Å; R206-K370 WeakPolarHBondContact CA-O 3.32Å; K207-K370 HydrophobicContact CB-CG 4.34Å; K207-K370 PolarHBondContact N-O 2.78Å; E211-K370 WeakPolarHBondContact OE1-CE 3.2Å; E211-K370 IonicContact OE1-NZ 2.7Å; E211-K370 PolarHBondContact OE1-NZ 2.83Å; E211-K370 WeakPolarHBondContact OE2-CE 3.45Å; E211-K370 IonicContact OE2-NZ 2.69Å; E211-K370 PolarHBondContact OE2-NZ 2.91Å; K370-G377 PolarHBondContact NZ-O 2.84Å
371	V	95.5	Very high	94.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-82.9	162.1	179.4	-65	0	0	0	0	111.6	P201 Q205 K207 M317 Y318 L375 G378	P201-V371 HydrophobicContact CG-CG1 4.34Å; Q205-V371 CarbonylContact O-C 3.55Å; Q205-V371 WeakPolarHBondContact O-CA 3.47Å; K207-V371 WeakPolarHBondContact CB-O 3.27Å; M317-V371 HydrophobicContact CE-CG1 3.93Å; M317-V371 HydrophobicContact CG-CG1 4.23Å; M317-V371 HydrophobicContact CG-CG2 4.25Å; M317-V371 HydrophobicContact SD-CG1 3.81Å; Y318-V371 HydrophobicContact CE1-CG1 4.44Å; V371-L375 HydrophobicContact CB-CB 3.99Å; V371-L375 HydrophobicContact CB-CD1 4.35Å; V371-L375 HydrophobicContact CG2-CB 4.01Å; V371-L375 WeakPolarHBondContact CG2-O 2.88Å; V371-G378 WeakPolarHBondContact CG2-O 3.39Å; V371-G378 PolarHBondContact N-O 3.39Å
372	S	94.2	Very high	95	Very high	25 Å²	25	22.9 Å²	22.9	18%	0.175	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-68.9	159.5	177	70.1	0	0	0	0	112	Q205 A374 L375 G376 G377	Q205-S372 PolarHBondContact O-N 2.78Å; S372-A374 PolarHBondContact O-N 2.98Å; S372-A374 VanDerWaalsContact O-N 3.16Å; S372-L375 CarbonylContact O-C 3.04Å; S372-L375 WeakPolarHBondContact O-CA 3.45Å; S372-L375 PolarHBondContact O-N 3.21Å; S372-G376 PolarHBondContact O-N 2.72Å; S372-G377 PolarHBondContact O-N 2.82Å
373	D	91.7	Very high	95.1	Very high	108 Å²	108	22 Å²	22	58%	0.578	14%	0.14	S	C	*	.	G	3₁₀ helix	trans	-64	-22.1	-179.1	-55.1	-45.5	0	0	0	112.2	K207 L375 G376	K207-D373 IonicContact NZ-OD1 3.98Å; K207-D373 PolarHBondContact NZ-OD1 2.75Å; K207-D373 IonicContact NZ-OD2 3.58Å; K207-D373 PolarHBondContact NZ-OD2 2.91Å; D373-L375 PolarHBondContact O-N 2.8Å; D373-G376 PolarHBondContact O-N 3.34Å
374	A	91.4	Very high	95.3	Very high	96 Å²	96	19.5 Å²	19.5	79%	0.793	13%	0.131	S	C	*	.	G	3₁₀ helix	trans	-72.2	-10.7	171.4	0	0	0	0	0	114	S372	S372-A374 PolarHBondContact O-N 2.98Å; S372-A374 VanDerWaalsContact O-N 3.16Å
375	L	91.4	Very high	95.3	Very high	53 Å²	53	19.5 Å²	19.5	28%	0.277	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-116.9	24.4	173.8	-62.9	176.1	0	0	0	111.3	Q205 V371 S372 D373	Q205-L375 HydrophobicContact CB-CD1 3.64Å; Q205-L375 HydrophobicContact CG-CD1 3.92Å; V371-L375 HydrophobicContact CB-CB 3.99Å; V371-L375 HydrophobicContact CB-CD1 4.35Å; V371-L375 HydrophobicContact CG2-CB 4.01Å; V371-L375 WeakPolarHBondContact CG2-O 2.88Å; S372-L375 CarbonylContact O-C 3.04Å; S372-L375 WeakPolarHBondContact O-CA 3.45Å; S372-L375 PolarHBondContact O-N 3.21Å; D373-L375 PolarHBondContact O-N 2.8Å
376	G	89.2	Confident	95.2	Very high	48 Å²	48	19.6 Å²	19.6	50%	0.495	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.2	-8.1	177.8	0	0	0	0	0	115.6	G320 S372 D373 G378	G320-G376 WeakPolarHBondContact CA-O 3.26Å; S372-G376 PolarHBondContact O-N 2.72Å; D373-G376 PolarHBondContact O-N 3.34Å; G376-G378 PolarHBondContact O-N 3.06Å
377	G	92.1	Very high	95	Very high	7 Å²	7	18.4 Å²	18.4	7%	0.072	13%	0.126	C	C	.	.	S	Bend	trans	71.5	2.9	174.6	0	0	0	0	0	116.4	K370 S372	K370-G377 PolarHBondContact NZ-O 2.84Å; S372-G377 PolarHBondContact O-N 2.82Å
378	G	95.7	Very high	94.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	13%	0.127	C	C	.	.			trans	-64.3	177.9	178	0	0	0	0	0	113.8	K321 V371 G376	K321-G378 WeakPolarHBondContact O-CA 3.09Å; V371-G378 WeakPolarHBondContact CG2-O 3.39Å; V371-G378 PolarHBondContact N-O 3.39Å; G376-G378 PolarHBondContact O-N 3.06Å
379	S	97.1	Very high	93.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	150.8	-177.1	63.3	0	0	0	0	114.8	K321 H322 V323 A369	K321-S379 PolarHBondContact O-N 2.99Å; K321-S379 VanDerWaalsContact O-N 3.16Å; H322-S379 CarbonylContact C-O 3.52Å; H322-S379 WeakPolarHBondContact CA-O 3.23Å; H322-S379 PolarHBondContact ND1-OG 2.8Å; V323-S379 PolarHBondContact N-O 3.4Å; A369-S379 CarbonylContact O-C 3.57Å; A369-S379 VanDerWaalsContact O-CA 3.26Å; A369-S379 WeakPolarHBondContact O-CA 3.48Å
380	I	97.9	Very high	92.6	Very high	0 Å²	0	28 Å²	28	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	111.7	164	-57.9	165	0	0	0	108.5	G229 V310 A313 E314 M317 V323 I325 S368 A369	G229-I380 WeakPolarHBondContact CA-O 3.46Å; V310-I380 HydrophobicContact CG2-CD1 4.29Å; A313-I380 HydrophobicContact CB-CD1 3.72Å; A313-I380 HydrophobicContact CB-CG1 3.96Å; A313-I380 HydrophobicContact CB-CG2 4.27Å; E314-I380 HydrophobicContact CG-CD1 4.05Å; M317-I380 HydrophobicContact CB-CD1 4.11Å; M317-I380 HydrophobicContact CB-CG1 3.86Å; M317-I380 HydrophobicContact CE-CD1 3.94Å; M317-I380 HydrophobicContact CG-CD1 4.49Å; M317-I380 HydrophobicContact CG-CG1 4.18Å; M317-I380 HydrophobicContact SD-CB 4.37Å; M317-I380 HydrophobicContact SD-CD1 3.69Å; M317-I380 HydrophobicContact SD-CG1 3.67Å; V323-I380 HydrophobicContact CB-CG1 4.25Å; V323-I380 HydrophobicContact CG2-CG1 4.47Å; V323-I380 WeakPolarHBondContact O-CA 3.41Å; I325-I380 HydrophobicContact CB-CG2 4.36Å; I325-I380 HydrophobicContact CG2-CG2 3.49Å; I325-I380 VanDerWaalsContact CG2-CG2 3.49Å; S368-I380 CarbonylContact C-O 3.49Å; A369-I380 PolarHBondContact N-O 3.22Å; A369-I380 PolarHBondContact O-N 2.9Å
381	T	98.1	Very high	91.6	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	132.6	164	-64.3	0	0	0	0	108.9	L213 I226 G227 R228 G229 Q230 V323 L324 I325	L213-T381 HydrophobicContact CD1-CG2 4.06Å; I226-T381 HydrophobicContact CG2-CG2 3.64Å; G227-T381 PolarHBondContact O-OG1 2.81Å; R228-T381 VanDerWaalsContact CA-OG1 3.29Å; R228-T381 WeakPolarHBondContact CA-OG1 3.39Å; G229-T381 PolarHBondContact N-OG1 2.93Å; Q230-T381 CarbonylContact O-C 3.51Å; Q230-T381 VanDerWaalsContact O-CA 3.27Å; Q230-T381 WeakPolarHBondContact O-CA 3.39Å; Q230-T381 WeakPolarHBondContact O-CG2 3.36Å; V323-T381 PolarHBondContact O-N 2.81Å; L324-T381 HydrophobicContact CD1-CG2 4.1Å; I325-T381 PolarHBondContact N-O 3.38Å
382	A	97.9	Very high	90.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	133.1	-179.7	0	0	0	0	0	112.4	Q230 R231 E232 I325 Y327 P384	Q230-A382 PolarHBondContact O-N 3.24Å; R231-A382 CarbonylContact C-O 3.26Å; R231-A382 WeakPolarHBondContact CA-O 3.49Å; R231-A382 HydrophobicContact CB-CB 4.43Å; R231-A382 HydrophobicContact CG-CB 4.1Å; E232-A382 PolarHBondContact N-O 3.04Å; I325-A382 HydrophobicContact CG2-CB 3.94Å; I325-A382 CarbonylContact O-C 3.58Å; I325-A382 WeakPolarHBondContact O-CA 3.4Å; Y327-A382 HydrophobicContact CE2-CB 4.08Å; A382-P384 VanDerWaalsContact C-CD 3.43Å; A382-P384 WeakPolarHBondContact O-CD 3.39Å
383	L	97.7	Very high	90.3	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	77	168.5	-55.5	-177.9	0	0	0	109.4	I226 E232 I234 A246 A249 L324 I325 V326 Y327	I226-L383 HydrophobicContact CD1-CD2 3.7Å; E232-L383 HydrophobicContact CB-CD2 4.09Å; I234-L383 HydrophobicContact CD1-CD1 4.5Å; A246-L383 HydrophobicContact CB-CD1 4.4Å; A249-L383 HydrophobicContact CB-CD1 4.43Å; L324-L383 HydrophobicContact CD1-CD1 3.89Å; L324-L383 HydrophobicContact CD1-CG 3.89Å; I325-L383 PolarHBondContact O-N 3Å; V326-L383 WeakPolarHBondContact CA-O 3.48Å; V326-L383 HydrophobicContact CG2-CB 4.35Å; V326-L383 HydrophobicContact CG2-CD1 4.4Å; Y327-L383 PolarHBondContact N-O 3.49Å; Y327-L383 VanDerWaalsContact N-O 3.12Å
384	P	97.7	Very high	89.8	Confident	0 Å²	0	33 Å²	33	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	139.8	171.8	29.3	-32.8	0	0	0	110.7	L233 I234 Y327 L330 L365 A382 T405	L233-P384 WeakPolarHBondContact CD1-O 3.33Å; I234-P384 PolarHBondContact N-O 3.47Å; Y327-P384 HydrophobicContact CD2-CB 4.01Å; L330-P384 HydrophobicContact CD1-CB 3.54Å; L330-P384 HydrophobicContact CG-CB 4.12Å; L365-P384 HydrophobicContact CD1-CG 4.3Å; L365-P384 HydrophobicContact CD2-CB 4.01Å; L365-P384 HydrophobicContact CD2-CG 3.93Å; A382-P384 VanDerWaalsContact C-CD 3.43Å; A382-P384 WeakPolarHBondContact O-CD 3.39Å; P384-T405 HydrophobicContact CG-CG2 3.9Å
385	F	96.6	Very high	89.5	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	146	172.1	-67.5	8.4	0	0	0	111.2	I234 K242 A246 V326 Y327 D328 D329 L330	I234-F385 HydrophobicContact CB-CD1 3.82Å; I234-F385 HydrophobicContact CB-CE1 4.03Å; I234-F385 HydrophobicContact CD1-CE1 3.93Å; I234-F385 HydrophobicContact CG1-CD1 4.42Å; I234-F385 HydrophobicContact CG1-CE1 4.3Å; I234-F385 VanDerWaalsContact O-CA 3.27Å; I234-F385 WeakPolarHBondContact O-CA 3.41Å; K242-F385 VanDerWaalsContact C-CZ 3.46Å; K242-F385 HydrophobicContact CB-CD2 3.81Å; K242-F385 HydrophobicContact CB-CE2 3.65Å; K242-F385 HydrophobicContact CB-CG 4.44Å; K242-F385 HydrophobicContact CB-CZ 4.17Å; K242-F385 HydrophobicContact CD-CD2 4.43Å; K242-F385 WeakPolarHBondContact O-CZ 3.27Å; A246-F385 HydrophobicContact CB-CE1 3.81Å; A246-F385 HydrophobicContact CB-CZ 3.54Å; V326-F385 HydrophobicContact CG1-CD1 4.48Å; V326-F385 HydrophobicContact CG1-CE1 3.78Å; V326-F385 HydrophobicContact CG1-CZ 3.92Å; Y327-F385 VanDerWaalsContact O-CB 3.27Å; Y327-F385 WeakPolarHBondContact O-CB 3.47Å; Y327-F385 PolarHBondContact O-N 2.84Å; D328-F385 HydrophobicContact CB-CD2 3.69Å; D328-F385 HydrophobicContact CB-CE2 3.8Å; D328-F385 HydrophobicContact CB-CG 4.42Å; D328-F385 WeakPolarHBondContact OD1-CD2 3.37Å; D328-F385 WeakPolarHBondContact OD2-CE2 3.3Å; D329-F385 HydrophobicContact CB-CB 3.59Å; L330-F385 PolarHBondContact N-O 3Å
386	I	95.2	Very high	89.4	Confident	2 Å²	2	29.5 Å²	29.5	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	127.3	161	-72.1	-62.2	0	0	0	108.9	L233 I234 I235 G236 L330 S331 I397 A398 V401	L233-I386 HydrophobicContact CD1-CB 3.99Å; L233-I386 HydrophobicContact CD1-CG1 3.76Å; I234-I386 PolarHBondContact O-N 3.31Å; I235-I386 WeakPolarHBondContact CA-O 3.41Å; I235-I386 HydrophobicContact CD1-CB 4.46Å; I235-I386 HydrophobicContact CD1-CG2 4.1Å; I235-I386 HydrophobicContact CG1-CB 4.33Å; I235-I386 HydrophobicContact CG1-CG2 4.2Å; G236-I386 PolarHBondContact N-O 3Å; L330-I386 HydrophobicContact CB-CD1 3.93Å; S331-I386 WeakPolarHBondContact OG-CD1 3.18Å; I386-I397 HydrophobicContact CD1-CG2 3.75Å; I386-A398 HydrophobicContact CG2-CB 4.04Å; I386-V401 HydrophobicContact CD1-CG2 4.05Å; I386-V401 HydrophobicContact CG1-CB 4.11Å; I386-V401 HydrophobicContact CG1-CG1 4.29Å; I386-V401 HydrophobicContact CG1-CG2 4.16Å
387	E	90.3	Very high	89.5	Confident	35 Å²	35	27.6 Å²	27.6	16%	0.164	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	120.1	165.7	-175.1	146	115.1	0	0	110	R238 K242 S331	R238-E387 VanDerWaalsContact CA-OE2 3.27Å; R238-E387 WeakPolarHBondContact CA-OE2 3.14Å; R238-E387 WeakPolarHBondContact CD-OE1 3.36Å; K242-E387 IonicContact NZ-OE2 3.7Å; K242-E387 PolarHBondContact NZ-OE2 2.93Å; S331-E387 PolarHBondContact OG-N 2.64Å; S331-E387 PolarHBondContact OG-O 2.74Å
388	T	86.8	Confident	89.5	Confident	4 Å²	4	27.4 Å²	27.4	3%	0.025	17%	0.168	C	C	.	.			trans	-81.5	165.8	165.1	47.8	0	0	0	0	110.5	I235 G236 D237 D392 I393	I235-T388 HydrophobicContact CD1-CG2 3.82Å; I235-T388 HydrophobicContact CG1-CG2 3.69Å; G236-T388 WeakPolarHBondContact CA-OG1 3.43Å; G236-T388 PolarHBondContact O-N 2.97Å; G236-T388 PolarHBondContact O-OG1 3.33Å; D237-T388 VanDerWaalsContact CG-OG1 3.28Å; D237-T388 PolarHBondContact N-OG1 3.34Å; D237-T388 VanDerWaalsContact N-OG1 3.15Å; D237-T388 VanDerWaalsContact OD1-C 3.26Å; D237-T388 WeakPolarHBondContact OD1-CB 3.42Å; D237-T388 PolarHBondContact OD1-OG1 3.06Å; T388-D392 WeakPolarHBondContact CG2-O 3.43Å; T388-I393 HydrophobicContact CG2-CG2 4.24Å
389	Q	77.9	Confident	89.3	Confident	101 Å²	101	30.6 Å²	30.6	47%	0.472	19%	0.188	S	C	.	.	S	Bend	trans	-115.4	123.2	168.5	-59.1	-62.9	-62.3	0	0	107.4	G391 D392	Q389-G391 PolarHBondContact O-N 3.32Å; Q389-G391 VanDerWaalsContact O-N 3.13Å; Q389-D392 WeakPolarHBondContact O-CB 3.17Å; Q389-D392 PolarHBondContact O-N 3.41Å
390	A	75	Confident	89.1	Confident	100 Å²	100	31.3 Å²	31.3	83%	0.826	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.9	38.5	-177.9	0	0	0	0	0	114.5	D237 D392	D237-A390 PolarHBondContact OD1-N 3.43Å; A390-D392 VanDerWaalsContact C-N 3.32Å; A390-D392 PolarHBondContact O-N 3.45Å
391	G	74.1	Confident	88.9	Confident	25 Å²	25	31.3 Å²	31.3	26%	0.258	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	78	3.2	179.1	0	0	0	0	0	115.7	D237 Q389 I393	D237-G391 VanDerWaalsContact CG-N 3.28Å; D237-G391 PolarHBondContact OD1-N 2.85Å; D237-G391 WeakPolarHBondContact OD2-CA 3.43Å; D237-G391 PolarHBondContact OD2-N 3.23Å; D237-G391 VanDerWaalsContact OD2-N 3.09Å; Q389-G391 PolarHBondContact O-N 3.32Å; Q389-G391 VanDerWaalsContact O-N 3.13Å; G391-I393 PolarHBondContact O-N 2.87Å
392	D	79.3	Confident	88.7	Confident	69 Å²	69	33.3 Å²	33.3	37%	0.369	20%	0.201	S	C	.	.			trans	-72.5	96.1	-174.6	-177.3	30.5	0	0	0	113.6	T388 Q389 A390 S394 A395	T388-D392 WeakPolarHBondContact CG2-O 3.43Å; Q389-D392 WeakPolarHBondContact O-CB 3.17Å; Q389-D392 PolarHBondContact O-N 3.41Å; A390-D392 VanDerWaalsContact C-N 3.32Å; A390-D392 PolarHBondContact O-N 3.45Å; D392-S394 PolarHBondContact O-N 3.15Å; D392-S394 WeakPolarHBondContact OD1-CA 3.42Å; D392-S394 VanDerWaalsContact OD1-CB 3.22Å; D392-S394 WeakPolarHBondContact OD1-CB 3.49Å; D392-S394 PolarHBondContact OD1-N 2.96Å; D392-S394 PolarHBondContact OD1-OG 2.71Å; D392-S394 PolarHBondContact OD2-OG 2.73Å; D392-A395 PolarHBondContact OD2-N 2.99Å; D392-A395 VanDerWaalsContact OD2-N 3.14Å
393	I	82.4	Confident	88.5	Confident	79 Å²	79	36.7 Å²	36.7	41%	0.405	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-8	170.6	61.4	172.2	0	0	0	113.7	I235 T388 G391 I402 F410	I235-I393 HydrophobicContact CD1-CG2 4.02Å; T388-I393 HydrophobicContact CG2-CG2 4.24Å; G391-I393 PolarHBondContact O-N 2.87Å; I393-I402 HydrophobicContact CB-CD1 4.47Å; I393-F410 HydrophobicContact CG2-CD2 4.2Å; I393-F410 HydrophobicContact CG2-CE2 3.63Å; I393-F410 HydrophobicContact CG2-CZ 4.04Å
394	S	82.1	Confident	88.3	Confident	71 Å²	71	37.2 Å²	37.2	50%	0.497	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-4.3	179.2	83	0	0	0	0	114.3	R350 D392 T399	R350-S394 PolarHBondContact NH2-O 2.99Å; D392-S394 PolarHBondContact O-N 3.15Å; D392-S394 WeakPolarHBondContact OD1-CA 3.42Å; D392-S394 VanDerWaalsContact OD1-CB 3.22Å; D392-S394 WeakPolarHBondContact OD1-CB 3.49Å; D392-S394 PolarHBondContact OD1-N 2.96Å; D392-S394 PolarHBondContact OD1-OG 2.71Å; D392-S394 PolarHBondContact OD2-OG 2.73Å; S394-T399 PolarHBondContact O-OG1 3.02Å
395	A	84.5	Confident	88.2	Confident	29 Å²	29	37.2 Å²	37.2	24%	0.24	23%	0.228	C	C	.	.	S	Bend	trans	-51.2	146.7	166.2	0	0	0	0	0	111.3	D392 I397 A398 T399	D392-A395 PolarHBondContact OD2-N 2.99Å; D392-A395 VanDerWaalsContact OD2-N 3.14Å; A395-I397 PolarHBondContact O-N 2.86Å; A395-A398 HydrophobicContact CB-CB 4.36Å; A395-A398 PolarHBondContact O-N 3.46Å; A395-T399 PolarHBondContact O-N 2.93Å; A395-T399 PolarHBondContact O-OG1 2.73Å; A395-T399 VanDerWaalsContact O-OG1 3.05Å
396	Y	89.2	Confident	88.1	Confident	48 Å²	48	39 Å²	39	19%	0.188	24%	0.237	C	C	.	.	H	α-helix	trans	-62.6	-43.5	-167.3	-178.7	-143.3	0	0	0	112.9	R350 E351 Y353 V357 N400	R350-Y396 HydrophobicContact CB-CD1 4.11Å; R350-Y396 HydrophobicContact CB-CE1 4.28Å; R350-Y396 HydrophobicContact CB-CG 4.46Å; R350-Y396 HydrophobicContact CG-CD1 4.26Å; R350-Y396 HydrophobicContact CG-CG 4.23Å; E351-Y396 WeakPolarHBondContact OE1-CB 3.33Å; E351-Y396 VanDerWaalsContact OE2-CB 3.23Å; E351-Y396 WeakPolarHBondContact OE2-CB 3.5Å; E351-Y396 PolarHBondContact OE2-N 3.17Å; Y353-Y396 AromaticContact CD2-CD1 3.97Å; Y353-Y396 HydrophobicContact CD2-CD1 3.97Å; V357-Y396 HydrophobicContact CG1-CD1 4.47Å; V357-Y396 HydrophobicContact CG1-CE1 3.65Å; Y396-N400 VanDerWaalsContact CE2-ND2 3.3Å; Y396-N400 WeakPolarHBondContact CE2-ND2 3.5Å; Y396-N400 WeakPolarHBondContact CE2-OD1 3.29Å; Y396-N400 PolarHBondContact O-N 3.18Å; Y396-N400 PolarHBondContact O-ND2 2.64Å
397	I	91.8	Very high	87.9	Confident	8 Å²	8	38.9 Å²	38.9	4%	0.041	24%	0.237	C	C	.	.	H	α-helix	trans	-69.8	-40.3	-179.5	-54.1	-54.9	0	0	0	111.8	A334 Y353 V357 H361 I386 A395 N400 V401	A334-I397 HydrophobicContact CB-CD1 3.84Å; A334-I397 HydrophobicContact CB-CG1 4.02Å; A334-I397 HydrophobicContact CB-CG2 4.18Å; Y353-I397 HydrophobicContact CD1-CD1 3.98Å; Y353-I397 HydrophobicContact CD2-CD1 3.99Å; Y353-I397 HydrophobicContact CD2-CG1 4.35Å; Y353-I397 HydrophobicContact CE1-CD1 3.96Å; Y353-I397 HydrophobicContact CE1-CG1 4.06Å; Y353-I397 HydrophobicContact CE2-CD1 3.94Å; Y353-I397 HydrophobicContact CE2-CG1 3.79Å; Y353-I397 HydrophobicContact CG-CD1 4.02Å; V357-I397 HydrophobicContact CG1-CD1 4.21Å; V357-I397 HydrophobicContact CG2-CD1 3.8Å; H361-I397 WeakPolarHBondContact NE2-CG2 3.22Å; I386-I397 HydrophobicContact CD1-CG2 3.75Å; A395-I397 PolarHBondContact O-N 2.86Å; I397-N400 PolarHBondContact O-N 3.13Å; I397-V401 HydrophobicContact CG2-CG2 4.46Å; I397-V401 WeakPolarHBondContact O-CG2 3.29Å; I397-V401 PolarHBondContact O-N 3.4Å
398	A	91.6	Very high	88.1	Confident	2 Å²	2	38.5 Å²	38.5	2%	0.017	24%	0.235	C	C	.	.	H	α-helix	trans	-59.1	-50.9	175	0	0	0	0	0	111.2	I235 I386 A395 N400 V401 I402	I235-A398 HydrophobicContact CD1-CB 3.88Å; I386-A398 HydrophobicContact CG2-CB 4.04Å; A395-A398 HydrophobicContact CB-CB 4.36Å; A395-A398 PolarHBondContact O-N 3.46Å; A398-N400 VanDerWaalsContact C-N 3.31Å; A398-N400 PolarHBondContact O-N 2.89Å; A398-V401 PolarHBondContact O-N 2.89Å; A398-I402 WeakPolarHBondContact O-CB 3.48Å; A398-I402 WeakPolarHBondContact O-CD1 3.2Å; A398-I402 WeakPolarHBondContact O-CG1 3.39Å; A398-I402 PolarHBondContact O-N 2.95Å
399	T	91.5	Very high	88.5	Confident	68 Å²	68	38.3 Å²	38.3	42%	0.417	23%	0.234	S	C	.	.	H	α-helix	trans	-56.2	-44.1	176.8	-58.5	0	0	0	0	111.8	S394 A395 S403	S394-T399 PolarHBondContact O-OG1 3.02Å; A395-T399 PolarHBondContact O-N 2.93Å; A395-T399 PolarHBondContact O-OG1 2.73Å; A395-T399 VanDerWaalsContact O-OG1 3.05Å; T399-S403 PolarHBondContact O-N 3.33Å
400	N	93.2	Very high	89.2	Confident	15 Å²	15	34.5 Å²	34.5	8%	0.08	22%	0.216	C	C	.	.	H	α-helix	trans	-60.5	-52.2	177.3	-70.9	-25.8	0	0	0	111.4	F358 Y396 I397 A398 S403 I404	F358-N400 HydrophobicContact CD2-CB 4.09Å; Y396-N400 VanDerWaalsContact CE2-ND2 3.3Å; Y396-N400 WeakPolarHBondContact CE2-ND2 3.5Å; Y396-N400 WeakPolarHBondContact CE2-OD1 3.29Å; Y396-N400 PolarHBondContact O-N 3.18Å; Y396-N400 PolarHBondContact O-ND2 2.64Å; I397-N400 PolarHBondContact O-N 3.13Å; A398-N400 VanDerWaalsContact C-N 3.31Å; A398-N400 PolarHBondContact O-N 2.89Å; N400-S403 PolarHBondContact O-N 3.32Å; N400-S403 PolarHBondContact O-OG 3.39Å; N400-I404 WeakPolarHBondContact O-CD1 3.22Å; N400-I404 WeakPolarHBondContact O-CG1 3.38Å; N400-I404 PolarHBondContact O-N 2.59Å
401	V	94.3	Very high	90	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-70.3	-37.7	-174.4	-178.3	0	0	0	0	112.3	L233 H361 L365 I386 I397 A398 S403 I404 T405	L233-V401 HydrophobicContact CD1-CG1 3.86Å; L233-V401 HydrophobicContact CD2-CG1 4.17Å; L233-V401 HydrophobicContact CG-CG1 4.47Å; H361-V401 HydrophobicContact CB-CG2 4.28Å; H361-V401 WeakPolarHBondContact CE1-CG2 3.31Å; H361-V401 WeakPolarHBondContact ND1-CG2 3.48Å; L365-V401 HydrophobicContact CD1-CG1 4.1Å; I386-V401 HydrophobicContact CD1-CG2 4.05Å; I386-V401 HydrophobicContact CG1-CB 4.11Å; I386-V401 HydrophobicContact CG1-CG1 4.29Å; I386-V401 HydrophobicContact CG1-CG2 4.16Å; I397-V401 HydrophobicContact CG2-CG2 4.46Å; I397-V401 WeakPolarHBondContact O-CG2 3.29Å; I397-V401 PolarHBondContact O-N 3.4Å; A398-V401 PolarHBondContact O-N 2.89Å; V401-S403 PolarHBondContact O-N 2.99Å; V401-I404 PolarHBondContact O-N 3.11Å; V401-T405 HydrophobicContact CG1-CG2 4.03Å; V401-T405 PolarHBondContact O-N 3.34Å; V401-T405 PolarHBondContact O-OG1 3.08Å
402	I	92.8	Very high	90.7	Very high	41 Å²	41	31.1 Å²	31.1	21%	0.21	18%	0.176	C	C	.	.	H	α-helix	trans	-56.2	-34.5	172.6	-67	163.6	0	0	0	111.3	L233 I235 I393 A398 R432	L233-I402 HydrophobicContact CD2-CB 4.42Å; L233-I402 HydrophobicContact CD2-CG1 3.51Å; I235-I402 HydrophobicContact CD1-CD1 4.02Å; I235-I402 HydrophobicContact CD1-CG1 4.43Å; I393-I402 HydrophobicContact CB-CD1 4.47Å; A398-I402 WeakPolarHBondContact O-CB 3.48Å; A398-I402 WeakPolarHBondContact O-CD1 3.2Å; A398-I402 WeakPolarHBondContact O-CG1 3.39Å; A398-I402 PolarHBondContact O-N 2.95Å; I402-R432 PolarHBondContact O-NH2 2.74Å
403	S	94.4	Very high	90.9	Very high	71 Å²	71	32.4 Å²	32.4	50%	0.497	18%	0.18	S	C	.	.	H	α-helix	trans	-76	-21.6	177.6	77.2	0	0	0	0	114	F358 T399 N400 V401	F358-S403 WeakPolarHBondContact CE2-OG 3.41Å; T399-S403 PolarHBondContact O-N 3.33Å; N400-S403 PolarHBondContact O-N 3.32Å; N400-S403 PolarHBondContact O-OG 3.39Å; V401-S403 PolarHBondContact O-N 2.99Å
404	I	94.4	Very high	91	Very high	14 Å²	14	34.7 Å²	34.7	7%	0.072	19%	0.193	C	C	.	.	H	α-helix	trans	-91.5	-36.5	-176.9	-65.5	161.1	0	0	0	112	F358 H361 L365 N400 V401	F358-I404 HydrophobicContact CD2-CD1 4.16Å; F358-I404 HydrophobicContact CE2-CD1 3.89Å; F358-I404 HydrophobicContact CE2-CG1 3.85Å; F358-I404 HydrophobicContact CZ-CD1 4.25Å; F358-I404 HydrophobicContact CZ-CG1 3.97Å; H361-I404 HydrophobicContact CB-CD1 3.92Å; L365-I404 HydrophobicContact CB-CG2 3.84Å; L365-I404 HydrophobicContact CD1-CG2 3.8Å; L365-I404 HydrophobicContact CG-CG2 4.43Å; N400-I404 WeakPolarHBondContact O-CD1 3.22Å; N400-I404 WeakPolarHBondContact O-CG1 3.38Å; N400-I404 PolarHBondContact O-N 2.59Å; V401-I404 PolarHBondContact O-N 3.11Å
405	T	95.8	Very high	91.1	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-75.9	159.5	-177.3	53.4	0	0	0	0	113.4	R231 L233 L365 P384 V401 G407 R432	R231-T405 HydrophobicContact CB-CG2 4.38Å; R231-T405 WeakPolarHBondContact O-CB 3.49Å; L233-T405 HydrophobicContact CB-CG2 3.92Å; L365-T405 HydrophobicContact CD1-CG2 4.14Å; P384-T405 HydrophobicContact CG-CG2 3.9Å; V401-T405 HydrophobicContact CG1-CG2 4.03Å; V401-T405 PolarHBondContact O-N 3.34Å; V401-T405 PolarHBondContact O-OG1 3.08Å; T405-G407 VanDerWaalsContact CB-O 3.31Å; T405-G407 WeakPolarHBondContact CB-O 3.22Å; T405-G407 PolarHBondContact O-N 3.04Å; T405-G407 PolarHBondContact OG1-O 3.03Å; T405-R432 PolarHBondContact O-NH1 3.42Å; T405-R432 PolarHBondContact O-NH2 2.92Å
406	D	93.1	Very high	91.1	Very high	37 Å²	37	33 Å²	33	20%	0.198	17%	0.172	C	C	.	.	S	Bend	trans	-77.2	-2.3	174	-57	-57.5	0	0	0	112.3	Q230 R231 R432	Q230-D406 HydrophobicContact CG-CB 3.87Å; R231-D406 WeakPolarHBondContact CB-OD2 3.27Å; R231-D406 IonicContact CZ-OD1 2.73Å; R231-D406 IonicContact CZ-OD2 2.7Å; R231-D406 PolarHBondContact N-OD2 3.15Å; R231-D406 IonicContact NE-OD1 3.85Å; R231-D406 IonicContact NE-OD2 2.75Å; R231-D406 PolarHBondContact NE-OD2 2.87Å; R231-D406 IonicContact NH2-OD1 2.64Å; R231-D406 PolarHBondContact NH2-OD1 3.28Å; R231-D406 IonicContact NH2-OD2 2.67Å; R231-D406 PolarHBondContact NH2-OD2 2.77Å; R231-D406 PolarHBondContact O-N 2.94Å; D406-R432 WeakPolarHBondContact O-CA 3.39Å; D406-R432 WeakPolarHBondContact O-CB 3.43Å; D406-R432 WeakPolarHBondContact O-CD 3.46Å; D406-R432 WeakPolarHBondContact O-CG 3.43Å; D406-R432 PolarHBondContact O-N 2.85Å
407	G	92.5	Very high	90.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.6	-178.2	-179	0	0	0	0	0	112.8	E232 L233 T405 V430	E232-G407 WeakPolarHBondContact OE1-CA 3.48Å; E232-G407 VanDerWaalsContact OE2-CA 3.32Å; E232-G407 WeakPolarHBondContact OE2-CA 3.42Å; L233-G407 WeakPolarHBondContact CB-O 3.49Å; L233-G407 PolarHBondContact N-O 3.21Å; T405-G407 VanDerWaalsContact CB-O 3.31Å; T405-G407 WeakPolarHBondContact CB-O 3.22Å; T405-G407 PolarHBondContact O-N 3.04Å; T405-G407 PolarHBondContact OG1-O 3.03Å; G407-V430 CarbonylContact C-O 3.53Å; G407-V430 WeakPolarHBondContact CA-O 3.08Å
408	Q	94.4	Very high	90.1	Very high	27 Å²	27	38.6 Å²	38.6	13%	0.126	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	145.3	176.4	74.2	-76	-21.5	0	0	112.7	E232 L233 I235 S428 S429 V430	E232-Q408 PolarHBondContact OE1-N 3.27Å; E232-Q408 VanDerWaalsContact OE1-N 3.14Å; L233-Q408 HydrophobicContact CB-CB 3.92Å; L233-Q408 HydrophobicContact CD2-CB 4.12Å; L233-Q408 HydrophobicContact CG-CB 4.22Å; L233-Q408 CarbonylContact O-C 3.08Å; L233-Q408 VanDerWaalsContact O-CA 3.23Å; L233-Q408 WeakPolarHBondContact O-CA 3.4Å; I235-Q408 HydrophobicContact CG2-CB 4.11Å; I235-Q408 HydrophobicContact CG2-CG 4.45Å; Q408-S428 PolarHBondContact NE2-O 3.1Å; Q408-S429 CarbonylContact O-C 3.57Å; Q408-S429 WeakPolarHBondContact O-CA 3.5Å; Q408-S429 WeakPolarHBondContact O-CB 3.48Å; Q408-V430 PolarHBondContact N-O 2.93Å; Q408-V430 PolarHBondContact O-N 3.19Å
409	I	94.1	Very high	89.5	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	115.6	168.6	-64.3	166.3	0	0	0	106.5	I220 V224 I226 E232 L233 I234 I235 L411 I424	I220-I409 HydrophobicContact CD1-CD1 4.04Å; I220-I409 HydrophobicContact CG1-CD1 4.19Å; I220-I409 HydrophobicContact CG2-CD1 3.98Å; V224-I409 HydrophobicContact CB-CG1 4.15Å; V224-I409 HydrophobicContact CG1-CD1 4.49Å; V224-I409 HydrophobicContact CG1-CG1 3.71Å; I226-I409 HydrophobicContact CD1-CD1 4.08Å; E232-I409 HydrophobicContact CG-CD1 4.08Å; E232-I409 HydrophobicContact CG-CG1 4.14Å; L233-I409 PolarHBondContact O-N 3.2Å; I234-I409 HydrophobicContact CG1-CB 4.47Å; I234-I409 HydrophobicContact CG1-CD1 4.43Å; I235-I409 WeakPolarHBondContact CG2-O 3.2Å; I235-I409 PolarHBondContact N-O 3.15Å; I409-L411 HydrophobicContact CG2-CD2 3.97Å; I409-I424 HydrophobicContact CG2-CD1 4.1Å; I409-I424 HydrophobicContact CG2-CG1 3.88Å; I409-I424 HydrophobicContact CG2-CG2 4.25Å
410	F	92.8	Very high	89.3	Confident	21 Å²	21	38 Å²	38	9%	0.092	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	120.1	179	-171.6	-130.9	0	0	0	110.4	I235 I393 Q412 D425 S429	I235-F410 HydrophobicContact CG1-CD2 4.47Å; I235-F410 HydrophobicContact CG2-CD2 4.17Å; I235-F410 CarbonylContact O-C 3.55Å; I235-F410 VanDerWaalsContact O-CA 3.32Å; I235-F410 WeakPolarHBondContact O-CA 3.45Å; I235-F410 WeakPolarHBondContact O-CD2 3.43Å; I393-F410 HydrophobicContact CG2-CD2 4.2Å; I393-F410 HydrophobicContact CG2-CE2 3.63Å; I393-F410 HydrophobicContact CG2-CZ 4.04Å; F410-Q412 HydrophobicContact CD1-CG 3.79Å; F410-Q412 HydrophobicContact CE1-CG 3.57Å; F410-Q412 HydrophobicContact CZ-CG 4.32Å; F410-D425 HydrophobicContact CD1-CB 4.11Å; F410-D425 PolarHBondContact O-N 3.23Å; F410-S429 PolarHBondContact N-OG 3.45Å
411	L	92.7	Very high	89	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	121.8	176.7	-56.3	-174.5	0	0	0	110.1	I234 I235 G236 K242 V245 I409 A423 I424	I234-L411 HydrophobicContact CG2-CD1 3.97Å; I234-L411 HydrophobicContact CG2-CG 4.3Å; I235-L411 PolarHBondContact O-N 3.2Å; G236-L411 WeakPolarHBondContact CA-O 3.41Å; K242-L411 HydrophobicContact CB-CD1 4.42Å; K242-L411 HydrophobicContact CG-CD1 4Å; V245-L411 HydrophobicContact CG2-CD1 4.39Å; I409-L411 HydrophobicContact CG2-CD2 3.97Å; L411-A423 WeakPolarHBondContact CA-O 3.43Å; L411-I424 HydrophobicContact CD2-CB 4.32Å; L411-I424 HydrophobicContact CD2-CG1 3.44Å; L411-I424 VanDerWaalsContact CD2-CG1 3.44Å
412	Q	87.9	Confident	88.7	Confident	53 Å²	53	42.5 Å²	42.5	25%	0.248	23%	0.231	C	C	.	.			trans	-104.4	135.1	-177.1	-68.2	-177.8	-1	0	0	112.1	F410 N414 L415 F416 A423 D425	F410-Q412 HydrophobicContact CD1-CG 3.79Å; F410-Q412 HydrophobicContact CE1-CG 3.57Å; F410-Q412 HydrophobicContact CZ-CG 4.32Å; Q412-N414 VanDerWaalsContact C-N 3.34Å; Q412-N414 PolarHBondContact O-N 3.41Å; Q412-L415 HydrophobicContact CB-CB 4.29Å; Q412-L415 HydrophobicContact CB-CD1 4.01Å; Q412-L415 HydrophobicContact CB-CG 3.91Å; Q412-L415 HydrophobicContact CG-CD1 4.39Å; Q412-L415 PolarHBondContact O-N 2.9Å; Q412-L415 VanDerWaalsContact O-N 3.15Å; Q412-F416 PolarHBondContact O-N 3.31Å; Q412-F416 VanDerWaalsContact O-N 3.14Å; Q412-A423 PolarHBondContact N-O 2.97Å; Q412-D425 HydrophobicContact CG-CB 4.08Å; Q412-D425 PolarHBondContact NE2-OD2 3.33Å
413	E	84.4	Confident	88.6	Confident	97 Å²	97	40.6 Å²	40.6	45%	0.453	22%	0.222	S	C	.	.	H	α-helix	trans	-59.5	-42.5	176.4	-158.2	-165.7	141	0	0	112.3	T240 L415 F416 N417	T240-E413 HydrophobicContact CG2-CB 4.27Å; E413-L415 PolarHBondContact O-N 2.85Å; E413-F416 WeakPolarHBondContact O-CB 3.35Å; E413-F416 PolarHBondContact O-N 2.87Å; E413-N417 WeakPolarHBondContact O-CB 3.48Å; E413-N417 VanDerWaalsContact O-CG 3.29Å; E413-N417 PolarHBondContact O-N 2.82Å; E413-N417 PolarHBondContact OE1-ND2 2.89Å; E413-N417 VanDerWaalsContact OE1-ND2 3.12Å
414	N	83.9	Confident	88.4	Confident	127 Å²	127	38 Å²	38	68%	0.679	20%	0.202	S	C	*	.	H	α-helix	trans	-57.4	-34	176.8	-68.5	-26.1	0	0	0	113.3	Q412 S418	Q412-N414 VanDerWaalsContact C-N 3.34Å; Q412-N414 PolarHBondContact O-N 3.41Å; N414-S418 WeakPolarHBondContact O-CB 3.37Å; N414-S418 PolarHBondContact O-N 3.32Å; N414-S418 VanDerWaalsContact O-N 3.1Å; N414-S418 PolarHBondContact O-OG 3.02Å
415	L	84.9	Confident	88.1	Confident	14 Å²	14	38.6 Å²	38.6	7%	0.073	21%	0.206	C	C	.	.	H	α-helix	trans	-75.2	-41.8	176.5	-62.2	-179	0	0	0	110.8	Q412 E413 N417 S418 G419 I420 A423 D425	Q412-L415 HydrophobicContact CB-CB 4.29Å; Q412-L415 HydrophobicContact CB-CD1 4.01Å; Q412-L415 HydrophobicContact CB-CG 3.91Å; Q412-L415 HydrophobicContact CG-CD1 4.39Å; Q412-L415 PolarHBondContact O-N 2.9Å; Q412-L415 VanDerWaalsContact O-N 3.15Å; E413-L415 PolarHBondContact O-N 2.85Å; L415-N417 VanDerWaalsContact C-N 3.35Å; L415-N417 PolarHBondContact O-N 3.01Å; L415-S418 WeakPolarHBondContact CA-OG 3.4Å; L415-S418 PolarHBondContact O-N 3.22Å; L415-S418 PolarHBondContact O-OG 3.23Å; L415-G419 PolarHBondContact O-N 3.45Å; L415-I420 CarbonylContact C-O 3.35Å; L415-I420 HydrophobicContact CB-CB 4.35Å; L415-I420 HydrophobicContact CD2-CD1 4.01Å; L415-I420 WeakPolarHBondContact O-CA 3.41Å; L415-I420 WeakPolarHBondContact O-CB 3.26Å; L415-I420 PolarHBondContact O-N 3.14Å; L415-A423 HydrophobicContact CB-CB 4.02Å; L415-D425 HydrophobicContact CD1-CB 4.26Å
416	F	84	Confident	87.6	Confident	49 Å²	49	39.4 Å²	39.4	22%	0.215	21%	0.212	C	C	.	.	H	α-helix	trans	-62.4	-41.1	176.7	-171.2	-90.5	0	0	0	112.6	Q412 E413 G419 R421 A423	Q412-F416 PolarHBondContact O-N 3.31Å; Q412-F416 VanDerWaalsContact O-N 3.14Å; E413-F416 WeakPolarHBondContact O-CB 3.35Å; E413-F416 PolarHBondContact O-N 2.87Å; F416-G419 PolarHBondContact O-N 2.91Å; F416-R421 HydrophobicContact CD2-CG 4.1Å; F416-R421 HydrophobicContact CE2-CG 4.23Å; F416-R421 PolarHBondContact O-NE 2.64Å; F416-A423 HydrophobicContact CB-CB 3.74Å; F416-A423 HydrophobicContact CD2-CB 4.24Å
417	N	79.6	Confident	87	Confident	102 Å²	102	39.8 Å²	39.8	55%	0.545	23%	0.225	S	C	.	.	H	α-helix	trans	-74.8	-31.6	179.7	-66.1	-8.2	0	0	0	112	E413 L415 G419	E413-N417 WeakPolarHBondContact O-CB 3.48Å; E413-N417 VanDerWaalsContact O-CG 3.29Å; E413-N417 PolarHBondContact O-N 2.82Å; E413-N417 PolarHBondContact OE1-ND2 2.89Å; E413-N417 VanDerWaalsContact OE1-ND2 3.12Å; L415-N417 VanDerWaalsContact C-N 3.35Å; L415-N417 PolarHBondContact O-N 3.01Å; N417-G419 PolarHBondContact O-N 3.21Å
418	S	79.9	Confident	86.7	Confident	72 Å²	72	42.2 Å²	42.2	50%	0.503	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	15.2	170	60.3	0	0	0	0	114.2	N414 L415 I420	N414-S418 WeakPolarHBondContact O-CB 3.37Å; N414-S418 PolarHBondContact O-N 3.32Å; N414-S418 VanDerWaalsContact O-N 3.1Å; N414-S418 PolarHBondContact O-OG 3.02Å; L415-S418 WeakPolarHBondContact CA-OG 3.4Å; L415-S418 PolarHBondContact O-N 3.22Å; L415-S418 PolarHBondContact O-OG 3.23Å; S418-I420 VanDerWaalsContact C-N 3.26Å; S418-I420 PolarHBondContact O-N 3.4Å
419	G	80.2	Confident	86.4	Confident	35 Å²	35	41 Å²	41	36%	0.361	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	14.7	175.5	0	0	0	0	0	114.8	L415 F416 N417 R421 K488	L415-G419 PolarHBondContact O-N 3.45Å; F416-G419 PolarHBondContact O-N 2.91Å; N417-G419 PolarHBondContact O-N 3.21Å; G419-R421 PolarHBondContact O-N 2.94Å; G419-K488 WeakPolarHBondContact O-CD 3.26Å; G419-K488 VanDerWaalsContact O-CE 3.31Å; G419-K488 WeakPolarHBondContact O-CE 3.47Å
420	I	85.4	Confident	86.3	Confident	23 Å²	23	43.2 Å²	43.2	12%	0.118	25%	0.25	C	C	.	.			trans	-88.5	103.6	172.8	-58.4	171.8	0	0	0	107.5	L415 S418 A423 V484	L415-I420 CarbonylContact C-O 3.35Å; L415-I420 HydrophobicContact CB-CB 4.35Å; L415-I420 HydrophobicContact CD2-CD1 4.01Å; L415-I420 WeakPolarHBondContact O-CA 3.41Å; L415-I420 WeakPolarHBondContact O-CB 3.26Å; L415-I420 PolarHBondContact O-N 3.14Å; S418-I420 VanDerWaalsContact C-N 3.26Å; S418-I420 PolarHBondContact O-N 3.4Å; I420-A423 VanDerWaalsContact O-CA 3.26Å; I420-A423 WeakPolarHBondContact O-CA 3.45Å; I420-A423 WeakPolarHBondContact O-CB 3.41Å; I420-V484 HydrophobicContact CD1-CG1 3.66Å; I420-V484 HydrophobicContact CG1-CG1 3.84Å
421	R	87.7	Confident	86.2	Confident	88 Å²	88	42.9 Å²	42.9	33%	0.332	25%	0.25	S	C	.	.	S	Bend	trans	-130.6	125.5	-177.5	-61.8	-176.9	-176.7	173.2	2.5	109.1	F416 G419 K488 Q489	F416-R421 HydrophobicContact CD2-CG 4.1Å; F416-R421 HydrophobicContact CE2-CG 4.23Å; F416-R421 PolarHBondContact O-NE 2.64Å; G419-R421 PolarHBondContact O-N 2.94Å; R421-K488 CarbonylContact O-C 3.6Å; R421-K488 VanDerWaalsContact O-CA 3.27Å; R421-K488 WeakPolarHBondContact O-CA 2.84Å; R421-Q489 PolarHBondContact O-N 3.34Å
422	P	89	Confident	86	Confident	21 Å²	21	49.4 Å²	49.4	14%	0.136	27%	0.274	C	S	.	.	S	Bend	cis	-66.4	145	-2.1	30.3	-36.4	0	0	0	112.9	A219 V245 I424	A219-P422 HydrophobicContact CB-CG 4.05Å; V245-P422 HydrophobicContact CG2-CB 3.9Å; P422-I424 HydrophobicContact CB-CD1 4.17Å; P422-I424 HydrophobicContact CB-CG1 4.24Å; P422-I424 HydrophobicContact CG-CD1 4.02Å; P422-I424 HydrophobicContact CG-CG1 4.48Å; P422-I424 PolarHBondContact O-N 2.85Å
423	A	90.5	Very high	86	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.008	27%	0.272	C	S	.	.			trans	-81.9	43.1	-165.5	0	0	0	0	0	114.8	L411 Q412 L415 F416 I420	L411-A423 WeakPolarHBondContact CA-O 3.43Å; Q412-A423 PolarHBondContact N-O 2.97Å; L415-A423 HydrophobicContact CB-CB 4.02Å; F416-A423 HydrophobicContact CB-CB 3.74Å; F416-A423 HydrophobicContact CD2-CB 4.24Å; I420-A423 VanDerWaalsContact O-CA 3.26Å; I420-A423 WeakPolarHBondContact O-CA 3.45Å; I420-A423 WeakPolarHBondContact O-CB 3.41Å
424	I	89.8	Confident	86	Confident	16 Å²	16	44.7 Å²	44.7	8%	0.082	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-80.2	125.1	-167.9	-62.4	170.4	0	0	0	111.9	A219 I220 I409 L411 P422 A426	A219-I424 HydrophobicContact CB-CD1 3.88Å; I220-I424 HydrophobicContact CD1-CD1 4.11Å; I220-I424 HydrophobicContact CG1-CD1 3.4Å; I220-I424 VanDerWaalsContact CG1-CD1 3.4Å; I409-I424 HydrophobicContact CG2-CD1 4.1Å; I409-I424 HydrophobicContact CG2-CG1 3.88Å; I409-I424 HydrophobicContact CG2-CG2 4.25Å; L411-I424 HydrophobicContact CD2-CB 4.32Å; L411-I424 HydrophobicContact CD2-CG1 3.44Å; L411-I424 VanDerWaalsContact CD2-CG1 3.44Å; P422-I424 HydrophobicContact CB-CD1 4.17Å; P422-I424 HydrophobicContact CB-CG1 4.24Å; P422-I424 HydrophobicContact CG-CD1 4.02Å; P422-I424 HydrophobicContact CG-CG1 4.48Å; P422-I424 PolarHBondContact O-N 2.85Å; I424-A426 PolarHBondContact O-N 3.23Å
425	D	88.5	Confident	85.9	Confident	28 Å²	28	39.8 Å²	39.8	15%	0.15	24%	0.239	C	C	.	.			trans	-80.6	107.1	165.6	174.4	25	0	0	0	111.1	F410 Q412 L415 G427 S428 S429	F410-D425 HydrophobicContact CD1-CB 4.11Å; F410-D425 PolarHBondContact O-N 3.23Å; Q412-D425 HydrophobicContact CG-CB 4.08Å; Q412-D425 PolarHBondContact NE2-OD2 3.33Å; L415-D425 HydrophobicContact CD1-CB 4.26Å; D425-G427 PolarHBondContact O-N 3.21Å; D425-G427 WeakPolarHBondContact OD1-CA 3.41Å; D425-G427 PolarHBondContact OD1-N 2.83Å; D425-S428 WeakPolarHBondContact OD2-CB 3.49Å; D425-S428 PolarHBondContact OD2-N 3.33Å; D425-S428 PolarHBondContact OD2-OG 3.39Å; D425-S429 WeakPolarHBondContact O-CB 3.23Å; D425-S429 PolarHBondContact O-N 2.71Å; D425-S429 VanDerWaalsContact O-N 3.07Å; D425-S429 PolarHBondContact O-OG 3.34Å
426	A	83.5	Confident	85.9	Confident	16 Å²	16	42.5 Å²	42.5	13%	0.132	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-16.2	175.3	0	0	0	0	0	113.9	L223 I424 R450 L453	L223-A426 HydrophobicContact CD1-CB 3.94Å; I424-A426 PolarHBondContact O-N 3.23Å; A426-R450 PolarHBondContact O-NE 3.36Å; A426-R450 PolarHBondContact O-NH2 3.13Å; A426-L453 HydrophobicContact CB-CB 4.31Å; A426-L453 HydrophobicContact CB-CD1 4.16Å
427	G	81.4	Confident	86	Confident	45 Å²	45	40.3 Å²	40.3	46%	0.464	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-67.7	172.7	0	0	0	0	0	111.3	D425 S429 R450	D425-G427 PolarHBondContact O-N 3.21Å; D425-G427 WeakPolarHBondContact OD1-CA 3.41Å; D425-G427 PolarHBondContact OD1-N 2.83Å; G427-S429 PolarHBondContact O-N 3.09Å; G427-R450 PolarHBondContact O-NH2 2.99Å
428	S	85.6	Confident	86.5	Confident	52 Å²	52	36.9 Å²	36.9	36%	0.364	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-22.1	-173.6	-50	0	0	0	0	114.4	Q408 D425	Q408-S428 PolarHBondContact NE2-O 3.1Å; D425-S428 WeakPolarHBondContact OD2-CB 3.49Å; D425-S428 PolarHBondContact OD2-N 3.33Å; D425-S428 PolarHBondContact OD2-OG 3.39Å
429	S	89.8	Confident	87	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	21%	0.211	C	C	.	.			trans	-75.3	134.3	179	-53.2	0	0	0	0	112.1	Q408 F410 D425 G427 R450	Q408-S429 CarbonylContact O-C 3.57Å; Q408-S429 WeakPolarHBondContact O-CA 3.5Å; Q408-S429 WeakPolarHBondContact O-CB 3.48Å; F410-S429 PolarHBondContact N-OG 3.45Å; D425-S429 WeakPolarHBondContact O-CB 3.23Å; D425-S429 PolarHBondContact O-N 2.71Å; D425-S429 VanDerWaalsContact O-N 3.07Å; D425-S429 PolarHBondContact O-OG 3.34Å; G427-S429 PolarHBondContact O-N 3.09Å; S429-R450 PolarHBondContact O-NH1 2.83Å; S429-R450 PolarHBondContact O-NH2 3.14Å
430	V	91.1	Very high	87.4	Confident	47 Å²	47	38.8 Å²	38.8	29%	0.285	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	117.1	-175.2	178.6	0	0	0	0	110.8	G407 Q408 R432	G407-V430 CarbonylContact C-O 3.53Å; G407-V430 WeakPolarHBondContact CA-O 3.08Å; Q408-V430 PolarHBondContact N-O 2.93Å; Q408-V430 PolarHBondContact O-N 3.19Å; V430-R432 HydrophobicContact CG1-CG 4.35Å
431	S	91	Very high	87.6	Confident	14 Å²	14	37.7 Å²	37.7	10%	0.098	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	117.3	163.2	159.5	0	0	0	0	108.9	P225 Q230 E232 V433 G434	P225-S431 WeakPolarHBondContact O-CB 3.34Å; P225-S431 PolarHBondContact O-OG 3.14Å; Q230-S431 PolarHBondContact NE2-OG 2.68Å; E232-S431 WeakPolarHBondContact OE1-CA 3.32Å; S431-V433 VanDerWaalsContact C-N 3.29Å; S431-V433 PolarHBondContact O-N 3.03Å; S431-G434 PolarHBondContact O-N 3.43Å; S431-G434 PolarHBondContact OG-N 2.86Å
432	R	88.6	Confident	87.8	Confident	137 Å²	137	33.6 Å²	33.6	52%	0.517	20%	0.2	S	C	.	.	S	Bend	trans	-76.7	-17.1	-178.8	-55.4	166.4	-164.5	163.7	12.6	112.5	I402 T405 D406 V430	I402-R432 PolarHBondContact O-NH2 2.74Å; T405-R432 PolarHBondContact O-NH1 3.42Å; T405-R432 PolarHBondContact O-NH2 2.92Å; D406-R432 WeakPolarHBondContact O-CA 3.39Å; D406-R432 WeakPolarHBondContact O-CB 3.43Å; D406-R432 WeakPolarHBondContact O-CD 3.46Å; D406-R432 WeakPolarHBondContact O-CG 3.43Å; D406-R432 PolarHBondContact O-N 2.85Å; V430-R432 HydrophobicContact CG1-CG 4.35Å
433	V	86.7	Confident	87.8	Confident	31 Å²	31	38 Å²	38	19%	0.188	22%	0.217	C	C	.	.	S	Bend	trans	-74	-33.9	169.5	-179.7	0	0	0	0	110.9	V209 Q230 S431 S436 A437	V209-V433 HydrophobicContact CB-CG1 4.18Å; V209-V433 HydrophobicContact CG1-CG1 4.02Å; Q230-V433 VanDerWaalsContact CD-CG2 3.48Å; Q230-V433 HydrophobicContact CG-CG2 3.96Å; S431-V433 VanDerWaalsContact C-N 3.29Å; S431-V433 PolarHBondContact O-N 3.03Å; V433-S436 WeakPolarHBondContact O-CB 3.39Å; V433-S436 PolarHBondContact O-N 3.45Å; V433-S436 PolarHBondContact O-OG 3.4Å; V433-A437 HydrophobicContact CG1-CB 3.92Å
434	G	84.8	Confident	87.7	Confident	21 Å²	21	44 Å²	44	22%	0.216	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	57.3	-149.2	174.7	0	0	0	0	0	113.4	P225 S431 S436 A437	P225-G434 WeakPolarHBondContact CG-O 3.35Å; S431-G434 PolarHBondContact O-N 3.43Å; S431-G434 PolarHBondContact OG-N 2.86Å; G434-S436 PolarHBondContact O-N 3.49Å; G434-A437 PolarHBondContact O-N 2.84Å
435	G	81.8	Confident	87.6	Confident	23 Å²	23	43.4 Å²	43.4	24%	0.237	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-66.6	24.5	178.7	0	0	0	0	0	115.9	K443	G435-K443 WeakPolarHBondContact O-CD 3.34Å; G435-K443 WeakPolarHBondContact O-CE 3.3Å; G435-K443 PolarHBondContact O-NZ 3.23Å
436	S	84.6	Confident	87.6	Confident	71 Å²	71	42.4 Å²	42.4	50%	0.497	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-88.2	-24.8	159.5	-41.7	0	0	0	0	111.1	V433 G434 Q438	V433-S436 WeakPolarHBondContact O-CB 3.39Å; V433-S436 PolarHBondContact O-N 3.45Å; V433-S436 PolarHBondContact O-OG 3.4Å; G434-S436 PolarHBondContact O-N 3.49Å; S436-Q438 VanDerWaalsContact C-N 3.31Å; S436-Q438 PolarHBondContact O-N 3.37Å
437	A	87.5	Confident	87.6	Confident	3 Å²	3	44.5 Å²	44.5	3%	0.025	26%	0.258	C	S	.	.	S	Bend	trans	-91.9	27.7	173.9	0	0	0	0	0	112.8	P212 P225 V433 G434	P212-A437 WeakPolarHBondContact CB-O 3.36Å; P225-A437 HydrophobicContact CB-CB 4.25Å; V433-A437 HydrophobicContact CG1-CB 3.92Å; G434-A437 PolarHBondContact O-N 2.84Å
438	Q	88.6	Confident	87.8	Confident	30 Å²	30	45.8 Å²	45.8	14%	0.14	26%	0.257	C	S	.	.	S	Bend	trans	-129.2	148	179.3	-74.7	178.1	-34.2	0	0	111.3	D221 A222 P225 S436 M442 K443	D221-Q438 PolarHBondContact O-NE2 2.8Å; A222-Q438 PolarHBondContact O-NE2 3.07Å; P225-Q438 HydrophobicContact CB-CG 3.48Å; P225-Q438 VanDerWaalsContact CB-CG 3.48Å; P225-Q438 HydrophobicContact CG-CG 3.8Å; S436-Q438 VanDerWaalsContact C-N 3.31Å; S436-Q438 PolarHBondContact O-N 3.37Å; Q438-M442 HydrophobicContact CB-CB 4.49Å; Q438-M442 HydrophobicContact CB-CG 4.48Å; Q438-M442 HydrophobicContact CG-CG 4.17Å; Q438-K443 HydrophobicContact CB-CB 4.45Å
439	I	90.4	Very high	87.9	Confident	15 Å²	15	43.4 Å²	43.4	8%	0.077	24%	0.241	C	C	.	.			trans	-68.4	156.9	164.7	64.3	169	0	0	0	110.4	P212 A441 M442 K443 V497 V501 I542 K546	P212-I439 HydrophobicContact CG-CG2 4.17Å; I439-A441 VanDerWaalsContact C-N 3.28Å; I439-A441 HydrophobicContact CD1-CB 4.04Å; I439-A441 HydrophobicContact CG1-CB 4.35Å; I439-A441 PolarHBondContact O-N 3.23Å; I439-M442 HydrophobicContact CG1-CB 3.74Å; I439-M442 PolarHBondContact O-N 2.85Å; I439-K443 PolarHBondContact O-N 2.76Å; I439-V497 HydrophobicContact CD1-CG1 4.07Å; I439-V497 HydrophobicContact CD1-CG2 3.66Å; I439-V497 HydrophobicContact CG1-CG2 4.19Å; I439-V501 HydrophobicContact CD1-CG2 4.49Å; I439-I542 HydrophobicContact CD1-CG2 4.27Å; I439-K546 HydrophobicContact CB-CB 4.12Å; I439-K546 HydrophobicContact CG2-CB 4.16Å; I439-K546 HydrophobicContact CG2-CD 4.31Å; I439-K546 HydrophobicContact CG2-CG 4.39Å
440	K	89.8	Confident	87.5	Confident	132 Å²	132	47.5 Å²	47.5	57%	0.574	26%	0.256	S	S	*	.	H	α-helix	trans	-60.8	-38.4	-177.5	-60	178.8	-178.2	172.8	0	112	K443 K444 K546 D547	K440-K443 PolarHBondContact O-N 2.97Å; K440-K444 WeakPolarHBondContact O-CG 3.29Å; K440-K444 PolarHBondContact O-N 3.06Å; K440-K546 WeakPolarHBondContact CA-O 3.48Å; K440-K546 WeakPolarHBondContact CB-O 3.3Å; K440-K546 PolarHBondContact N-O 3.36Å; K440-D547 HydrophobicContact CB-CB 4.17Å; K440-D547 HydrophobicContact CD-CB 4.19Å; K440-D547 WeakPolarHBondContact CD-OD2 3.43Å; K440-D547 IonicContact NZ-OD2 3.89Å
441	A	89.8	Confident	87.2	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-58.5	-54	177.5	0	0	0	0	0	111.7	I439 K443 K444 V445 V501 I542 K546 L548	I439-A441 VanDerWaalsContact C-N 3.28Å; I439-A441 HydrophobicContact CD1-CB 4.04Å; I439-A441 HydrophobicContact CG1-CB 4.35Å; I439-A441 PolarHBondContact O-N 3.23Å; A441-K443 VanDerWaalsContact C-N 3.32Å; A441-K443 PolarHBondContact O-N 3.47Å; A441-K444 WeakPolarHBondContact O-CB 3.45Å; A441-K444 PolarHBondContact O-N 2.73Å; A441-K444 VanDerWaalsContact O-N 3.11Å; A441-V445 PolarHBondContact O-N 2.98Å; A441-V501 HydrophobicContact CB-CG1 4.03Å; A441-V501 HydrophobicContact CB-CG2 4.04Å; A441-I542 HydrophobicContact CB-CG2 4.15Å; A441-K546 PolarHBondContact N-O 2.8Å; A441-K546 VanDerWaalsContact N-O 3.09Å; A441-L548 HydrophobicContact CB-CD2 4.13Å; A441-L548 HydrophobicContact CB-CG 4.17Å
442	M	91.5	Very high	86.9	Confident	3 Å²	3	54 Å²	54	2%	0.015	29%	0.288	C	S	.	.	H	α-helix	trans	-56.4	-45.5	175	-177.6	58.9	79.3	0	0	111.3	D221 A222 Q438 I439 K444 V445 A446 V497 Q500 V501 L504	D221-M442 HydrophobicContact CB-CE 4.36Å; A222-M442 HydrophobicContact CB-SD 4.06Å; Q438-M442 HydrophobicContact CB-CB 4.49Å; Q438-M442 HydrophobicContact CB-CG 4.48Å; Q438-M442 HydrophobicContact CG-CG 4.17Å; I439-M442 HydrophobicContact CG1-CB 3.74Å; I439-M442 PolarHBondContact O-N 2.85Å; M442-K444 VanDerWaalsContact C-N 3.27Å; M442-K444 PolarHBondContact O-N 3.4Å; M442-V445 WeakPolarHBondContact O-CG2 3.31Å; M442-V445 PolarHBondContact O-N 3.49Å; M442-V445 VanDerWaalsContact O-N 3.14Å; M442-V445 HydrophobicContact SD-CG2 4.27Å; M442-A446 HydrophobicContact CG-CB 4.39Å; M442-A446 VanDerWaalsContact O-CB 3.29Å; M442-A446 WeakPolarHBondContact O-CB 3.41Å; M442-A446 PolarHBondContact O-N 3.48Å; M442-A446 HydrophobicContact SD-CB 3.9Å; M442-V497 HydrophobicContact CE-CG2 4.21Å; M442-Q500 HydrophobicContact CE-CB 3.85Å; M442-V501 HydrophobicContact CB-CG2 4.24Å; M442-V501 HydrophobicContact CE-CG2 4.24Å; M442-L504 HydrophobicContact CE-CD1 4.03Å; M442-L504 HydrophobicContact SD-CD1 3.66Å
443	K	89.1	Confident	86.7	Confident	112 Å²	112	48 Å²	48	49%	0.487	27%	0.266	S	S	.	.	H	α-helix	trans	-62	-30.5	178.4	-168.6	172	-170.5	163.6	0	113.7	G435 Q438 I439 K440 A441	G435-K443 WeakPolarHBondContact O-CD 3.34Å; G435-K443 WeakPolarHBondContact O-CE 3.3Å; G435-K443 PolarHBondContact O-NZ 3.23Å; Q438-K443 HydrophobicContact CB-CB 4.45Å; I439-K443 PolarHBondContact O-N 2.76Å; K440-K443 PolarHBondContact O-N 2.97Å; A441-K443 VanDerWaalsContact C-N 3.32Å; A441-K443 PolarHBondContact O-N 3.47Å
444	K	88.3	Confident	86.4	Confident	129 Å²	129	49 Å²	49	56%	0.561	28%	0.278	S	S	*	.	H	α-helix	trans	-72.2	-37.9	174.2	-75.8	175.3	174.9	175.2	0	112.5	K440 A441 M442 D547 L548	K440-K444 WeakPolarHBondContact O-CG 3.29Å; K440-K444 PolarHBondContact O-N 3.06Å; A441-K444 WeakPolarHBondContact O-CB 3.45Å; A441-K444 PolarHBondContact O-N 2.73Å; A441-K444 VanDerWaalsContact O-N 3.11Å; M442-K444 VanDerWaalsContact C-N 3.27Å; M442-K444 PolarHBondContact O-N 3.4Å; K444-D547 VanDerWaalsContact CE-OD1 3.23Å; K444-D547 WeakPolarHBondContact CE-OD1 3.41Å; K444-D547 IonicContact NZ-OD1 3.81Å; K444-D547 PolarHBondContact NZ-OD1 2.59Å; K444-D547 IonicContact NZ-OD2 3.6Å; K444-L548 HydrophobicContact CB-CD1 4.1Å; K444-L548 HydrophobicContact CD-CD1 3.97Å; K444-L548 HydrophobicContact CD-CG 4.36Å
445	V	87.8	Confident	86.3	Confident	3 Å²	3	49.5 Å²	49.5	2%	0.018	28%	0.277	C	S	.	.	H	α-helix	trans	-92.9	-27	-176.3	-58.1	0	0	0	0	114.5	A441 M442 V501 L504 Y505 T508 L548	A441-V445 PolarHBondContact O-N 2.98Å; M442-V445 WeakPolarHBondContact O-CG2 3.31Å; M442-V445 PolarHBondContact O-N 3.49Å; M442-V445 VanDerWaalsContact O-N 3.14Å; M442-V445 HydrophobicContact SD-CG2 4.27Å; V445-V501 HydrophobicContact CG2-CG2 4.45Å; V445-L504 HydrophobicContact CB-CB 4.06Å; V445-L504 HydrophobicContact CG2-CB 3.71Å; V445-L504 HydrophobicContact CG2-CD1 4.3Å; V445-Y505 HydrophobicContact CG1-CD2 4.04Å; V445-T508 WeakPolarHBondContact O-CG2 3.39Å; V445-L548 HydrophobicContact CG1-CD1 4.24Å
446	A	88.4	Confident	86.5	Confident	7 Å²	7	48.9 Å²	48.9	6%	0.058	27%	0.268	C	S	.	.	H	α-helix	trans	-95.7	-9.1	-179	0	0	0	0	0	114.1	A222 M442 T448 L449	A222-A446 HydrophobicContact CB-CB 3.74Å; M442-A446 HydrophobicContact CG-CB 4.39Å; M442-A446 VanDerWaalsContact O-CB 3.29Å; M442-A446 WeakPolarHBondContact O-CB 3.41Å; M442-A446 PolarHBondContact O-N 3.48Å; M442-A446 HydrophobicContact SD-CB 3.9Å; A446-T448 VanDerWaalsContact C-N 3.29Å; A446-T448 PolarHBondContact O-N 3.18Å; A446-T448 VanDerWaalsContact O-N 3.09Å; A446-L449 VanDerWaalsContact O-CB 3.27Å; A446-L449 WeakPolarHBondContact O-CB 3.24Å; A446-L449 PolarHBondContact O-N 2.99Å
447	G	83.1	Confident	86.3	Confident	59 Å²	59	49.8 Å²	49.8	61%	0.608	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-27	-164.8	0	0	0	0	0	116.7
448	T	85.3	Confident	85.9	Confident	72 Å²	72	55.6 Å²	55.6	44%	0.442	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-15.6	174.5	62	0	0	0	0	113.4	A446 R450 L451 D452	A446-T448 VanDerWaalsContact C-N 3.29Å; A446-T448 PolarHBondContact O-N 3.18Å; A446-T448 VanDerWaalsContact O-N 3.09Å; T448-R450 VanDerWaalsContact C-N 3.26Å; T448-R450 PolarHBondContact O-N 3.32Å; T448-L451 WeakPolarHBondContact O-CA 3.3Å; T448-L451 WeakPolarHBondContact O-CB 3.39Å; T448-L451 PolarHBondContact O-N 3.14Å; T448-D452 WeakPolarHBondContact CB-OD2 3.43Å; T448-D452 PolarHBondContact O-N 2.86Å; T448-D452 PolarHBondContact OG1-OD2 3.47Å
449	L	87	Confident	85.6	Confident	3 Å²	3	55.9 Å²	55.9	2%	0.016	29%	0.289	C	S	.	.	H	α-helix	trans	-57	-36.3	-160.7	-163.8	69.6	0	0	0	113.5	A222 L223 A446 L453 T483 L487 L504 L507	A222-L449 HydrophobicContact CB-CD2 3.99Å; L223-L449 HydrophobicContact CD2-CB 3.96Å; L223-L449 HydrophobicContact CD2-CD2 3.82Å; L223-L449 HydrophobicContact CD2-CG 3.89Å; A446-L449 VanDerWaalsContact O-CB 3.27Å; A446-L449 WeakPolarHBondContact O-CB 3.24Å; A446-L449 PolarHBondContact O-N 2.99Å; L449-L453 WeakPolarHBondContact O-CB 3.27Å; L449-L453 WeakPolarHBondContact O-CG 3.34Å; L449-L453 PolarHBondContact O-N 3.27Å; L449-T483 HydrophobicContact CD1-CG2 3.67Å; L449-T483 HydrophobicContact CG-CG2 4.23Å; L449-L487 HydrophobicContact CD2-CD1 4.45Å; L449-L487 HydrophobicContact CD2-CD2 4.34Å; L449-L504 HydrophobicContact CD2-CD2 3.81Å; L449-L507 HydrophobicContact CD1-CD2 3.87Å
450	R	83	Confident	85.2	Confident	85 Å²	85	57.7 Å²	57.7	32%	0.321	30%	0.297	S	S	.	.	H	α-helix	trans	-69.9	-37.1	176.3	-172.9	177	174.4	-167.7	-3.7	113.2	L223 A426 G427 S429 T448 A454	L223-R450 HydrophobicContact CD2-CB 4.01Å; A426-R450 PolarHBondContact O-NE 3.36Å; A426-R450 PolarHBondContact O-NH2 3.13Å; G427-R450 PolarHBondContact O-NH2 2.99Å; S429-R450 PolarHBondContact O-NH1 2.83Å; S429-R450 PolarHBondContact O-NH2 3.14Å; T448-R450 VanDerWaalsContact C-N 3.26Å; T448-R450 PolarHBondContact O-N 3.32Å; R450-A454 WeakPolarHBondContact O-CB 3.44Å; R450-A454 PolarHBondContact O-N 2.71Å
451	L	83.5	Confident	84.6	Confident	131 Å²	131	53.8 Å²	53.8	69%	0.686	29%	0.29	S	S	*	.	H	α-helix	trans	-71.9	-38.5	174.7	-63.2	173.3	0	0	0	110.8	T448 A454 S455	T448-L451 WeakPolarHBondContact O-CA 3.3Å; T448-L451 WeakPolarHBondContact O-CB 3.39Å; T448-L451 PolarHBondContact O-N 3.14Å; L451-A454 PolarHBondContact O-N 2.58Å; L451-S455 WeakPolarHBondContact O-CB 3.34Å; L451-S455 PolarHBondContact O-N 3.16Å
452	D	84.7	Confident	84	Confident	67 Å²	67	60.9 Å²	60.9	36%	0.358	32%	0.321	S	S	.	.	H	α-helix	trans	-63.5	-42	176	-62.7	-39.7	0	0	0	111.2	T448 Y456	T448-D452 WeakPolarHBondContact CB-OD2 3.43Å; T448-D452 PolarHBondContact O-N 2.86Å; T448-D452 PolarHBondContact OG1-OD2 3.47Å; D452-Y456 WeakPolarHBondContact O-CB 3.46Å; D452-Y456 PolarHBondContact O-N 2.83Å
453	L	85.3	Confident	83.1	Confident	12 Å²	12	62.6 Å²	62.6	6%	0.063	33%	0.332	C	S	.	.	H	α-helix	trans	-65.9	-41.4	173.1	-83.6	163.1	0	0	0	113.5	L223 A426 L449 Y456 R457 T483 V484 L487	L223-L453 HydrophobicContact CD1-CD1 3.72Å; L223-L453 HydrophobicContact CD2-CD1 3.84Å; L223-L453 HydrophobicContact CG-CD1 4.44Å; A426-L453 HydrophobicContact CB-CB 4.31Å; A426-L453 HydrophobicContact CB-CD1 4.16Å; L449-L453 WeakPolarHBondContact O-CB 3.27Å; L449-L453 WeakPolarHBondContact O-CG 3.34Å; L449-L453 PolarHBondContact O-N 3.27Å; L453-Y456 WeakPolarHBondContact O-CB 3.35Å; L453-Y456 PolarHBondContact O-N 2.68Å; L453-R457 PolarHBondContact O-N 3.02Å; L453-T483 HydrophobicContact CD1-CG2 4.07Å; L453-T483 HydrophobicContact CD2-CG2 3.83Å; L453-T483 HydrophobicContact CG-CG2 3.81Å; L453-V484 HydrophobicContact CD2-CG2 4.13Å; L453-L487 HydrophobicContact CD1-CD1 3.68Å
454	A	81	Confident	82.1	Confident	52 Å²	52	64.6 Å²	64.6	43%	0.43	34%	0.343	S	S	.	.	H	α-helix	trans	-62.8	-46.3	175.8	0	0	0	0	0	111.2	R450 L451 Y456 R457 E458	R450-A454 WeakPolarHBondContact O-CB 3.44Å; R450-A454 PolarHBondContact O-N 2.71Å; L451-A454 PolarHBondContact O-N 2.58Å; A454-Y456 VanDerWaalsContact C-N 3.3Å; A454-Y456 PolarHBondContact O-N 3.2Å; A454-R457 PolarHBondContact O-N 2.99Å; A454-E458 PolarHBondContact O-N 2.82Å
455	S	81.7	Confident	81	Confident	30 Å²	30	67 Å²	67	21%	0.21	35%	0.354	C	S	.	.	H	α-helix	trans	-64.8	-32.9	174.6	-173.9	0	0	0	0	112.2	L451 L459 K476	L451-S455 WeakPolarHBondContact O-CB 3.34Å; L451-S455 PolarHBondContact O-N 3.16Å; S455-L459 WeakPolarHBondContact O-CB 3.48Å; S455-L459 VanDerWaalsContact O-CG 3.25Å; S455-L459 WeakPolarHBondContact O-CG 3.32Å; S455-L459 PolarHBondContact O-N 3.32Å; S455-L459 VanDerWaalsContact O-N 3.11Å; S455-K476 PolarHBondContact OG-NZ 3.38Å
456	Y	86.3	Confident	79.7	Confident	11 Å²	11	68.9 Å²	68.9	4%	0.043	37%	0.373	C	S	.	.	H	α-helix	trans	-63.2	-49.9	172.6	172.4	-100.4	0	0	0	111.8	D452 L453 A454 E458 L459 E460 L477 G480 R481 V484	D452-Y456 WeakPolarHBondContact O-CB 3.46Å; D452-Y456 PolarHBondContact O-N 2.83Å; L453-Y456 WeakPolarHBondContact O-CB 3.35Å; L453-Y456 PolarHBondContact O-N 2.68Å; A454-Y456 VanDerWaalsContact C-N 3.3Å; A454-Y456 PolarHBondContact O-N 3.2Å; Y456-E458 VanDerWaalsContact C-N 3.35Å; Y456-E458 PolarHBondContact O-N 3.38Å; Y456-L459 PolarHBondContact O-N 2.81Å; Y456-E460 HydrophobicContact CE1-CB 4.28Å; Y456-E460 VanDerWaalsContact CE1-CD 3.49Å; Y456-E460 HydrophobicContact CE1-CG 4.4Å; Y456-E460 VanDerWaalsContact CE1-OE1 3.27Å; Y456-E460 WeakPolarHBondContact CE1-OE1 3.3Å; Y456-E460 VanDerWaalsContact CZ-OE1 3.24Å; Y456-E460 VanDerWaalsContact O-CB 3.27Å; Y456-E460 WeakPolarHBondContact O-CB 3.47Å; Y456-E460 PolarHBondContact O-N 2.9Å; Y456-E460 PolarHBondContact OH-OE1 3.4Å; Y456-L477 HydrophobicContact CD2-CD2 4.19Å; Y456-L477 HydrophobicContact CE2-CB 4.48Å; Y456-L477 HydrophobicContact CE2-CD2 3.94Å; Y456-L477 WeakPolarHBondContact CE2-O 3.3Å; Y456-G480 VanDerWaalsContact CD2-CA 3.45Å; Y456-R481 HydrophobicContact CE2-CG 3.99Å; Y456-R481 WeakPolarHBondContact OH-CG 3.23Å; Y456-V484 HydrophobicContact CD1-CG2 4.49Å; Y456-V484 HydrophobicContact CE1-CG2 4.24Å
457	R	80.7	Confident	78.4	Confident	90 Å²	90	74.1 Å²	74.1	34%	0.34	41%	0.409	S	S	.	.	H	α-helix	trans	-63	-39.2	-179.9	-71.3	-58.8	-166.5	-173.5	1.2	112.8	L453 A454 E460 A461	L453-R457 PolarHBondContact O-N 3.02Å; A454-R457 PolarHBondContact O-N 2.99Å; R457-E460 WeakPolarHBondContact CD-OE2 3.43Å; R457-E460 IonicContact CZ-OE2 3.74Å; R457-E460 IonicContact NE-OE2 2.66Å; R457-E460 IonicContact NH1-OE1 2.86Å; R457-E460 IonicContact NH1-OE2 3.59Å; R457-E460 PolarHBondContact NH1-OE2 2.92Å; R457-E460 PolarHBondContact O-N 3.09Å; R457-A461 PolarHBondContact O-N 2.82Å
458	E	79	Confident	77.4	Confident	125 Å²	125	78.7 Å²	78.7	58%	0.584	42%	0.42	S	S	*	.	H	α-helix	trans	-61.1	-46	174.3	-174.6	178	-154.3	0	0	111.6	A454 Y456 F462	A454-E458 PolarHBondContact O-N 2.82Å; Y456-E458 VanDerWaalsContact C-N 3.35Å; Y456-E458 PolarHBondContact O-N 3.38Å; E458-F462 PolarHBondContact O-N 3.33Å
459	L	82.8	Confident	76.7	Confident	35 Å²	35	79 Å²	79	18%	0.183	42%	0.418	C	S	.	.	H	α-helix	trans	-68.4	-41.7	176.8	-69.8	171.6	0	0	0	112.4	S455 Y456 A461 F462 T463 T473 K476 L477	S455-L459 WeakPolarHBondContact O-CB 3.48Å; S455-L459 VanDerWaalsContact O-CG 3.25Å; S455-L459 WeakPolarHBondContact O-CG 3.32Å; S455-L459 PolarHBondContact O-N 3.32Å; S455-L459 VanDerWaalsContact O-N 3.11Å; Y456-L459 PolarHBondContact O-N 2.81Å; L459-A461 VanDerWaalsContact C-N 3.34Å; L459-A461 PolarHBondContact O-N 3.3Å; L459-F462 CarbonylContact O-C 3.39Å; L459-F462 WeakPolarHBondContact O-CA 3.41Å; L459-F462 WeakPolarHBondContact O-CB 3.48Å; L459-F462 PolarHBondContact O-N 2.86Å; L459-F462 VanDerWaalsContact O-N 3.08Å; L459-T463 WeakPolarHBondContact O-CG2 3.45Å; L459-T463 PolarHBondContact O-N 3.2Å; L459-T473 HydrophobicContact CD2-CG2 4.18Å; L459-K476 HydrophobicContact CD1-CB 3.91Å; L459-K476 HydrophobicContact CD1-CD 3.54Å; L459-K476 HydrophobicContact CD1-CG 4.42Å; L459-L477 HydrophobicContact CB-CD2 3.94Å; L459-L477 HydrophobicContact CB-CG 4.44Å
460	E	81.3	Confident	76.5	Confident	53 Å²	53	83.1 Å²	83.1	25%	0.248	44%	0.44	C	S	.	.	H	α-helix	trans	-57	-46.6	178	-177.4	178.2	-122.7	0	0	111	Y456 R457 F462 T463 L477	Y456-E460 HydrophobicContact CE1-CB 4.28Å; Y456-E460 VanDerWaalsContact CE1-CD 3.49Å; Y456-E460 HydrophobicContact CE1-CG 4.4Å; Y456-E460 VanDerWaalsContact CE1-OE1 3.27Å; Y456-E460 WeakPolarHBondContact CE1-OE1 3.3Å; Y456-E460 VanDerWaalsContact CZ-OE1 3.24Å; Y456-E460 VanDerWaalsContact O-CB 3.27Å; Y456-E460 WeakPolarHBondContact O-CB 3.47Å; Y456-E460 PolarHBondContact O-N 2.9Å; Y456-E460 PolarHBondContact OH-OE1 3.4Å; R457-E460 WeakPolarHBondContact CD-OE2 3.43Å; R457-E460 IonicContact CZ-OE2 3.74Å; R457-E460 IonicContact NE-OE2 2.66Å; R457-E460 IonicContact NH1-OE1 2.86Å; R457-E460 IonicContact NH1-OE2 3.59Å; R457-E460 PolarHBondContact NH1-OE2 2.92Å; R457-E460 PolarHBondContact O-N 3.09Å; E460-F462 PolarHBondContact O-N 3.24Å; E460-T463 PolarHBondContact O-N 2.78Å; E460-T463 PolarHBondContact O-OG1 3.37Å; E460-L477 HydrophobicContact CB-CD2 4.46Å
461	A	77.9	Confident	76.4	Confident	50 Å²	50	82.8 Å²	82.8	41%	0.413	46%	0.456	S	S	.	.	H	α-helix	trans	-61.1	-41	173.4	0	0	0	0	0	112.5	R457 L459 T463 Q464 F465	R457-A461 PolarHBondContact O-N 2.82Å; L459-A461 VanDerWaalsContact C-N 3.34Å; L459-A461 PolarHBondContact O-N 3.3Å; A461-T463 PolarHBondContact O-N 2.99Å; A461-Q464 PolarHBondContact O-N 2.95Å; A461-F465 WeakPolarHBondContact O-CD2 3.21Å
462	F	76	Confident	76.3	Confident	150 Å²	150	79.8 Å²	79.8	66%	0.658	45%	0.45	S	S	*	.	H	α-helix	trans	-64.4	-35.3	175.2	-101.7	-83.7	0	0	0	113.3	E458 L459 E460 Q464 F465	E458-F462 PolarHBondContact O-N 3.33Å; L459-F462 CarbonylContact O-C 3.39Å; L459-F462 WeakPolarHBondContact O-CA 3.41Å; L459-F462 WeakPolarHBondContact O-CB 3.48Å; L459-F462 PolarHBondContact O-N 2.86Å; L459-F462 VanDerWaalsContact O-N 3.08Å; E460-F462 PolarHBondContact O-N 3.24Å; F462-Q464 PolarHBondContact O-N 2.91Å; F462-F465 PolarHBondContact O-N 3.43Å; F462-F465 VanDerWaalsContact O-N 3.12Å
463	T	73	Confident	76.1	Confident	39 Å²	39	77.9 Å²	77.9	24%	0.239	44%	0.441	C	S	.	.	H	α-helix	trans	-65.5	-17.7	-179	60.9	0	0	0	0	114.5	L459 E460 A461 F465 L469 L477	L459-T463 WeakPolarHBondContact O-CG2 3.45Å; L459-T463 PolarHBondContact O-N 3.2Å; E460-T463 PolarHBondContact O-N 2.78Å; E460-T463 PolarHBondContact O-OG1 3.37Å; A461-T463 PolarHBondContact O-N 2.99Å; T463-F465 PolarHBondContact O-N 3.28Å; T463-L469 HydrophobicContact CG2-CD1 3.7Å; T463-L469 HydrophobicContact CG2-CD2 3.83Å; T463-L469 HydrophobicContact CG2-CG 4.44Å; T463-L477 HydrophobicContact CG2-CD1 3.44Å; T463-L477 VanDerWaalsContact CG2-CD1 3.44Å; T463-L477 HydrophobicContact CG2-CD2 4.07Å; T463-L477 HydrophobicContact CG2-CG 4.4Å
464	Q	67.6	Low	76	Confident	154 Å²	154	82.4 Å²	82.4	72%	0.72	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-11.7	174.6	-61.1	-175.6	-8.4	0	0	113	A461 F462	A461-Q464 PolarHBondContact O-N 2.95Å; F462-Q464 PolarHBondContact O-N 2.91Å
465	F	66.1	Low	76	Confident	180 Å²	180	82.6 Å²	82.6	79%	0.789	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.7	6	-174.2	-58.4	-79.4	0	0	0	114.9	A461 F462 T463	A461-F465 WeakPolarHBondContact O-CD2 3.21Å; F462-F465 PolarHBondContact O-N 3.43Å; F462-F465 VanDerWaalsContact O-N 3.12Å; T463-F465 PolarHBondContact O-N 3.28Å
466	G	59.3	Low	76.2	Confident	42 Å²	42	86.6 Å²	86.6	43%	0.433	48%	0.477	S	S	.	.			trans	-154.6	134.5	-176.4	0	0	0	0	0	114.5
467	S	60.9	Low	76.2	Confident	116 Å²	116	86.5 Å²	86.5	81%	0.811	48%	0.477	S	S	*	.	S	Bend	trans	-83.7	-32.7	-176.1	53.6	0	0	0	0	114.7
468	D	63.2	Low	76.4	Confident	156 Å²	156	85.1 Å²	85.1	83%	0.834	48%	0.477	S	S	*	.			trans	-100.5	120.7	-179.2	-72.4	-50.3	0	0	0	110.6
469	L	70.3	Confident	76.7	Confident	77 Å²	77	83 Å²	83	40%	0.403	46%	0.463	S	S	.	.			trans	-117.4	138	177.4	-59.6	172.4	0	0	0	109.5	T463 T473 L477	T463-L469 HydrophobicContact CG2-CD1 3.7Å; T463-L469 HydrophobicContact CG2-CD2 3.83Å; T463-L469 HydrophobicContact CG2-CG 4.44Å; L469-T473 HydrophobicContact CD2-CG2 4.17Å; L469-L477 HydrophobicContact CD1-CD1 3.81Å
470	D	82.5	Confident	77	Confident	90 Å²	90	81.6 Å²	81.6	48%	0.481	46%	0.457	S	S	.	.			trans	-70.8	157.2	173.2	77.9	85.5	0	0	0	111.4	A472 T473 Q474	D470-A472 VanDerWaalsContact C-N 3.26Å; D470-A472 PolarHBondContact O-N 3.48Å; D470-A472 WeakPolarHBondContact OD1-CA 3.11Å; D470-A472 VanDerWaalsContact OD1-CB 3.3Å; D470-A472 WeakPolarHBondContact OD1-CB 3.48Å; D470-A472 PolarHBondContact OD1-N 3.05Å; D470-T473 PolarHBondContact O-N 2.86Å; D470-T473 PolarHBondContact OD1-N 3.28Å; D470-T473 WeakPolarHBondContact OD2-CB 3.47Å; D470-T473 PolarHBondContact OD2-OG1 3.46Å; D470-Q474 WeakPolarHBondContact O-CB 3.43Å; D470-Q474 PolarHBondContact O-N 2.85Å
471	A	80.5	Confident	77.3	Confident	79 Å²	79	85 Å²	85	65%	0.653	47%	0.467	S	S	*	.	H	α-helix	trans	-62.3	-27.1	-175	0	0	0	0	0	114.3	A475	A471-A475 VanDerWaalsContact O-CB 3.26Å; A471-A475 WeakPolarHBondContact O-CB 3.34Å; A471-A475 PolarHBondContact O-N 2.78Å
472	A	81.9	Confident	77.9	Confident	67 Å²	67	83.9 Å²	83.9	55%	0.554	45%	0.452	S	S	*	.	H	α-helix	trans	-79	-38.1	176.8	0	0	0	0	0	111.5	D470 A475 K476	D470-A472 VanDerWaalsContact C-N 3.26Å; D470-A472 PolarHBondContact O-N 3.48Å; D470-A472 WeakPolarHBondContact OD1-CA 3.11Å; D470-A472 VanDerWaalsContact OD1-CB 3.3Å; D470-A472 WeakPolarHBondContact OD1-CB 3.48Å; D470-A472 PolarHBondContact OD1-N 3.05Å; A472-A475 PolarHBondContact O-N 3.28Å; A472-K476 PolarHBondContact O-N 3.2Å
473	T	81.1	Confident	78.6	Confident	28 Å²	28	77 Å²	77	17%	0.172	42%	0.423	C	S	.	.	H	α-helix	trans	-62.9	-45.3	169.5	-65.7	0	0	0	0	111.1	L459 L469 D470 A475 K476 L477	L459-T473 HydrophobicContact CD2-CG2 4.18Å; L469-T473 HydrophobicContact CD2-CG2 4.17Å; D470-T473 PolarHBondContact O-N 2.86Å; D470-T473 PolarHBondContact OD1-N 3.28Å; D470-T473 WeakPolarHBondContact OD2-CB 3.47Å; D470-T473 PolarHBondContact OD2-OG1 3.46Å; T473-A475 PolarHBondContact O-N 2.8Å; T473-K476 WeakPolarHBondContact O-CB 3.31Å; T473-K476 PolarHBondContact O-N 2.95Å; T473-L477 HydrophobicContact CG2-CD1 3.83Å; T473-L477 WeakPolarHBondContact O-CD1 3.39Å; T473-L477 WeakPolarHBondContact O-CG 3.16Å; T473-L477 PolarHBondContact O-N 3.44Å
474	Q	82.1	Confident	79.4	Confident	106 Å²	106	75.9 Å²	75.9	50%	0.495	42%	0.416	S	S	.	.	H	α-helix	trans	-62.1	-40.9	176.2	-164.5	-178.5	27	0	0	112	D470 L477 N478	D470-Q474 WeakPolarHBondContact O-CB 3.43Å; D470-Q474 PolarHBondContact O-N 2.85Å; Q474-L477 PolarHBondContact O-N 3.4Å; Q474-N478 VanDerWaalsContact O-CB 3.31Å; Q474-N478 WeakPolarHBondContact O-CB 3.45Å; Q474-N478 VanDerWaalsContact O-CG 3.29Å; Q474-N478 PolarHBondContact O-N 3.08Å
475	A	82.8	Confident	80.5	Confident	56 Å²	56	70.1 Å²	70.1	46%	0.463	39%	0.389	S	S	.	.	H	α-helix	trans	-63	-43.4	173.8	0	0	0	0	0	112.4	A471 A472 T473 L477 N478 R479	A471-A475 VanDerWaalsContact O-CB 3.26Å; A471-A475 WeakPolarHBondContact O-CB 3.34Å; A471-A475 PolarHBondContact O-N 2.78Å; A472-A475 PolarHBondContact O-N 3.28Å; T473-A475 PolarHBondContact O-N 2.8Å; A475-L477 PolarHBondContact O-N 2.94Å; A475-N478 PolarHBondContact O-N 3.31Å; A475-R479 WeakPolarHBondContact O-CB 3.42Å; A475-R479 PolarHBondContact O-N 2.91Å
476	K	84	Confident	81.7	Confident	115 Å²	115	61.6 Å²	61.6	50%	0.5	35%	0.352	S	S	.	.	H	α-helix	trans	-59.1	-45.2	174.1	-83.7	-170.7	168.3	-162.7	0	112.4	S455 L459 A472 T473 R479 G480	S455-K476 PolarHBondContact OG-NZ 3.38Å; L459-K476 HydrophobicContact CD1-CB 3.91Å; L459-K476 HydrophobicContact CD1-CD 3.54Å; L459-K476 HydrophobicContact CD1-CG 4.42Å; A472-K476 PolarHBondContact O-N 3.2Å; T473-K476 WeakPolarHBondContact O-CB 3.31Å; T473-K476 PolarHBondContact O-N 2.95Å; K476-R479 PolarHBondContact O-N 3.5Å; K476-G480 PolarHBondContact O-N 3.35Å
477	L	86.2	Confident	83.3	Confident	9 Å²	9	60.2 Å²	60.2	5%	0.047	33%	0.334	C	S	.	.	H	α-helix	trans	-64.9	-44.7	178	-70.2	158.7	0	0	0	111.4	Y456 L459 E460 T463 L469 T473 Q474 A475 R479 G480 R481	Y456-L477 HydrophobicContact CD2-CD2 4.19Å; Y456-L477 HydrophobicContact CE2-CB 4.48Å; Y456-L477 HydrophobicContact CE2-CD2 3.94Å; Y456-L477 WeakPolarHBondContact CE2-O 3.3Å; L459-L477 HydrophobicContact CB-CD2 3.94Å; L459-L477 HydrophobicContact CB-CG 4.44Å; E460-L477 HydrophobicContact CB-CD2 4.46Å; T463-L477 HydrophobicContact CG2-CD1 3.44Å; T463-L477 VanDerWaalsContact CG2-CD1 3.44Å; T463-L477 HydrophobicContact CG2-CD2 4.07Å; T463-L477 HydrophobicContact CG2-CG 4.4Å; L469-L477 HydrophobicContact CD1-CD1 3.81Å; T473-L477 HydrophobicContact CG2-CD1 3.83Å; T473-L477 WeakPolarHBondContact O-CD1 3.39Å; T473-L477 WeakPolarHBondContact O-CG 3.16Å; T473-L477 PolarHBondContact O-N 3.44Å; Q474-L477 PolarHBondContact O-N 3.4Å; A475-L477 PolarHBondContact O-N 2.94Å; L477-R479 VanDerWaalsContact C-N 3.29Å; L477-R479 PolarHBondContact O-N 3.32Å; L477-G480 PolarHBondContact O-N 3.36Å; L477-R481 WeakPolarHBondContact O-CB 3.37Å; L477-R481 WeakPolarHBondContact O-CG 3.33Å; L477-R481 PolarHBondContact O-N 2.6Å
478	N	85.2	Confident	84.7	Confident	61 Å²	61	56.5 Å²	56.5	33%	0.326	30%	0.304	S	S	.	.	H	α-helix	trans	-62.5	-33.9	176.1	-78.3	-14.5	0	0	0	112.8	Q474 A475 R482	Q474-N478 VanDerWaalsContact O-CB 3.31Å; Q474-N478 WeakPolarHBondContact O-CB 3.45Å; Q474-N478 VanDerWaalsContact O-CG 3.29Å; Q474-N478 PolarHBondContact O-N 3.08Å; A475-N478 PolarHBondContact O-N 3.31Å; N478-R482 VanDerWaalsContact O-CG 3.3Å; N478-R482 WeakPolarHBondContact O-CG 3.46Å; N478-R482 PolarHBondContact O-NH1 2.89Å
479	R	86.2	Confident	86	Confident	81 Å²	81	49.6 Å²	49.6	31%	0.306	27%	0.266	S	S	.	.	H	α-helix	trans	-77	-41.8	175.4	-174.8	170.4	167.9	114	-9.7	112	A475 K476 L477 R482 T483 L507 T508	A475-R479 WeakPolarHBondContact O-CB 3.42Å; A475-R479 PolarHBondContact O-N 2.91Å; K476-R479 PolarHBondContact O-N 3.5Å; L477-R479 VanDerWaalsContact C-N 3.29Å; L477-R479 PolarHBondContact O-N 3.32Å; R479-R482 WeakPolarHBondContact O-CB 3.21Å; R479-R482 PolarHBondContact O-N 2.92Å; R479-R482 VanDerWaalsContact O-N 3.16Å; R479-T483 PolarHBondContact O-N 2.79Å; R479-T483 PolarHBondContact O-OG1 2.85Å; R479-L507 PolarHBondContact NH1-O 2.91Å; R479-T508 PolarHBondContact NH1-O 2.68Å; R479-T508 PolarHBondContact NH2-O 2.72Å
480	G	88	Confident	86.9	Confident	5 Å²	5	49 Å²	49	5%	0.052	27%	0.267	C	S	.	.	H	α-helix	trans	-66.8	-36.1	177.9	0	0	0	0	0	113.7	Y456 K476 L477 R482 T483 V484	Y456-G480 VanDerWaalsContact CD2-CA 3.45Å; K476-G480 PolarHBondContact O-N 3.35Å; L477-G480 PolarHBondContact O-N 3.36Å; G480-R482 VanDerWaalsContact C-N 3.31Å; G480-R482 PolarHBondContact O-N 2.95Å; G480-T483 WeakPolarHBondContact O-CB 3.28Å; G480-T483 PolarHBondContact O-N 3.27Å; G480-V484 WeakPolarHBondContact O-CG2 3.48Å; G480-V484 PolarHBondContact O-N 2.75Å
481	R	88.2	Confident	87	Confident	124 Å²	124	48 Å²	48	47%	0.468	26%	0.264	S	S	.	.	H	α-helix	trans	-56	-45.7	168.1	-75.5	174.3	178.5	179.4	-2.6	111.6	Y456 L477 V484 E485 V517	Y456-R481 HydrophobicContact CE2-CG 3.99Å; Y456-R481 WeakPolarHBondContact OH-CG 3.23Å; L477-R481 WeakPolarHBondContact O-CB 3.37Å; L477-R481 WeakPolarHBondContact O-CG 3.33Å; L477-R481 PolarHBondContact O-N 2.6Å; R481-V484 PolarHBondContact O-N 3.1Å; R481-E485 PolarHBondContact O-N 3.32Å; R481-E485 VanDerWaalsContact O-N 3.1Å; R481-V517 HydrophobicContact CB-CG1 4.38Å; R481-V517 HydrophobicContact CB-CG2 4.41Å
482	R	90.4	Very high	87.4	Confident	26 Å²	26	46 Å²	46	10%	0.098	24%	0.241	C	C	.	.	H	α-helix	trans	-64.7	-38.9	175.7	-64.1	-177.5	164.8	83	-7.3	112.3	N478 R479 G480 V484 E485 V486 L507 L512 D513 V515 V517 I520	N478-R482 VanDerWaalsContact O-CG 3.3Å; N478-R482 WeakPolarHBondContact O-CG 3.46Å; N478-R482 PolarHBondContact O-NH1 2.89Å; R479-R482 WeakPolarHBondContact O-CB 3.21Å; R479-R482 PolarHBondContact O-N 2.92Å; R479-R482 VanDerWaalsContact O-N 3.16Å; G480-R482 VanDerWaalsContact C-N 3.31Å; G480-R482 PolarHBondContact O-N 2.95Å; R482-V484 VanDerWaalsContact C-N 3.32Å; R482-V484 PolarHBondContact O-N 2.7Å; R482-E485 PolarHBondContact O-N 3.07Å; R482-V486 WeakPolarHBondContact O-CB 3.37Å; R482-V486 VanDerWaalsContact O-CG2 3.27Å; R482-V486 WeakPolarHBondContact O-CG2 3.35Å; R482-V486 PolarHBondContact O-N 3.4Å; R482-L507 HydrophobicContact CB-CD1 4.15Å; R482-L512 VanDerWaalsContact CD-O 3.24Å; R482-L512 WeakPolarHBondContact CD-O 3.2Å; R482-L512 PolarHBondContact NE-O 2.59Å; R482-D513 VanDerWaalsContact CZ-O 3.25Å; R482-D513 PolarHBondContact NH2-O 2.77Å; R482-V515 PolarHBondContact NE-O 2.92Å; R482-V515 PolarHBondContact NH2-O 2.99Å; R482-V517 HydrophobicContact CG-CG2 4.3Å; R482-I520 HydrophobicContact CB-CD1 3.81Å; R482-I520 HydrophobicContact CG-CD1 3.58Å
483	T	90.9	Very high	87.7	Confident	6 Å²	6	47.6 Å²	47.6	4%	0.037	24%	0.236	C	C	.	.	H	α-helix	trans	-58.8	-42.1	172.1	-56.3	0	0	0	0	112	L449 L453 R479 G480 L487 L507	L449-T483 HydrophobicContact CD1-CG2 3.67Å; L449-T483 HydrophobicContact CG-CG2 4.23Å; L453-T483 HydrophobicContact CD1-CG2 4.07Å; L453-T483 HydrophobicContact CD2-CG2 3.83Å; L453-T483 HydrophobicContact CG-CG2 3.81Å; R479-T483 PolarHBondContact O-N 2.79Å; R479-T483 PolarHBondContact O-OG1 2.85Å; G480-T483 WeakPolarHBondContact O-CB 3.28Å; G480-T483 PolarHBondContact O-N 3.27Å; T483-L487 HydrophobicContact CG2-CD1 4.21Å; T483-L487 WeakPolarHBondContact O-CB 3.18Å; T483-L487 VanDerWaalsContact O-CG 3.31Å; T483-L487 WeakPolarHBondContact O-CG 3.39Å; T483-L487 PolarHBondContact O-N 3.05Å; T483-L487 VanDerWaalsContact O-N 3.09Å; T483-L507 HydrophobicContact CG2-CD2 4.02Å
484	V	90.1	Very high	88.2	Confident	16 Å²	16	47.8 Å²	47.8	10%	0.097	24%	0.237	C	C	.	.	H	α-helix	trans	-63.4	-45.7	177.4	171	0	0	0	0	111.2	I420 L453 Y456 G480 R481 R482 L487 K488	I420-V484 HydrophobicContact CD1-CG1 3.66Å; I420-V484 HydrophobicContact CG1-CG1 3.84Å; L453-V484 HydrophobicContact CD2-CG2 4.13Å; Y456-V484 HydrophobicContact CD1-CG2 4.49Å; Y456-V484 HydrophobicContact CE1-CG2 4.24Å; G480-V484 WeakPolarHBondContact O-CG2 3.48Å; G480-V484 PolarHBondContact O-N 2.75Å; R481-V484 PolarHBondContact O-N 3.1Å; R482-V484 VanDerWaalsContact C-N 3.32Å; R482-V484 PolarHBondContact O-N 2.7Å; V484-L487 PolarHBondContact O-N 2.74Å; V484-K488 PolarHBondContact O-N 3.3Å
485	E	90.4	Very high	88.6	Confident	33 Å²	33	43.9 Å²	43.9	15%	0.154	22%	0.22	C	C	.	.	H	α-helix	trans	-64.4	-45	176.4	-61.8	-51.9	131.1	0	0	112.6	R481 R482 L487 K488 V517 I520	R481-E485 PolarHBondContact O-N 3.32Å; R481-E485 VanDerWaalsContact O-N 3.1Å; R482-E485 PolarHBondContact O-N 3.07Å; E485-L487 PolarHBondContact O-N 3.22Å; E485-L487 VanDerWaalsContact O-N 3.16Å; E485-K488 WeakPolarHBondContact O-CB 3.12Å; E485-K488 PolarHBondContact O-N 2.92Å; E485-K488 WeakPolarHBondContact OE1-CE 3.24Å; E485-K488 IonicContact OE1-NZ 2.73Å; E485-K488 PolarHBondContact OE1-NZ 3.43Å; E485-K488 WeakPolarHBondContact OE2-CD 3.38Å; E485-K488 VanDerWaalsContact OE2-CE 3.29Å; E485-K488 WeakPolarHBondContact OE2-CE 3.22Å; E485-K488 IonicContact OE2-NZ 3.72Å; E485-K488 PolarHBondContact OE2-NZ 2.87Å; E485-V517 HydrophobicContact CG-CG1 3.5Å; E485-V517 VanDerWaalsContact CG-CG1 3.5Å; E485-I520 HydrophobicContact CB-CB 4.11Å; E485-I520 HydrophobicContact CB-CD1 4.28Å; E485-I520 HydrophobicContact CB-CG2 3.92Å
486	V	91.9	Very high	89	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.2	-24.8	176.1	167.8	0	0	0	0	112.7	K218 R482 I503 L504 L507 L512 I520	K218-V486 WeakPolarHBondContact CD-O 3.35Å; K218-V486 WeakPolarHBondContact CE-O 3.43Å; K218-V486 PolarHBondContact NZ-O 3.21Å; R482-V486 WeakPolarHBondContact O-CB 3.37Å; R482-V486 VanDerWaalsContact O-CG2 3.27Å; R482-V486 WeakPolarHBondContact O-CG2 3.35Å; R482-V486 PolarHBondContact O-N 3.4Å; V486-I503 HydrophobicContact CG1-CG1 3.79Å; V486-I503 HydrophobicContact CG1-CG2 4.4Å; V486-I503 HydrophobicContact CG2-CG1 4.31Å; V486-L504 HydrophobicContact CG1-CD2 4.22Å; V486-L507 HydrophobicContact CB-CD2 4.2Å; V486-L507 HydrophobicContact CG1-CD2 3.98Å; V486-L507 HydrophobicContact CG2-CD1 4.32Å; V486-L507 HydrophobicContact CG2-CD2 4.5Å; V486-L512 HydrophobicContact CG2-CD1 3.31Å; V486-I520 HydrophobicContact CG2-CG2 3.78Å
487	L	92.2	Very high	89.4	Confident	14 Å²	14	39.3 Å²	39.3	7%	0.073	20%	0.197	C	C	.	.	H	α-helix	trans	-89.7	-7.1	176.7	-69.2	-175.4	0	0	0	114.3	K218 A219 L223 L449 L453 T483 V484 E485 L504	K218-L487 HydrophobicContact CB-CD2 3.98Å; A219-L487 HydrophobicContact CB-CB 4.37Å; A219-L487 HydrophobicContact CB-CD2 4.45Å; L223-L487 HydrophobicContact CD1-CD1 3.84Å; L223-L487 HydrophobicContact CG-CD1 4.46Å; L449-L487 HydrophobicContact CD2-CD1 4.45Å; L449-L487 HydrophobicContact CD2-CD2 4.34Å; L453-L487 HydrophobicContact CD1-CD1 3.68Å; T483-L487 HydrophobicContact CG2-CD1 4.21Å; T483-L487 WeakPolarHBondContact O-CB 3.18Å; T483-L487 VanDerWaalsContact O-CG 3.31Å; T483-L487 WeakPolarHBondContact O-CG 3.39Å; T483-L487 PolarHBondContact O-N 3.05Å; T483-L487 VanDerWaalsContact O-N 3.09Å; V484-L487 PolarHBondContact O-N 2.74Å; E485-L487 PolarHBondContact O-N 3.22Å; E485-L487 VanDerWaalsContact O-N 3.16Å; L487-L504 HydrophobicContact CD2-CD2 4.4Å
488	K	91.6	Very high	89.5	Confident	37 Å²	37	39.8 Å²	39.8	16%	0.161	20%	0.199	C	C	.	.			trans	-70.9	143.8	170.4	-66.5	179.2	-170.6	167.9	0	111	K218 G419 R421 V484 E485 L521	K218-K488 WeakPolarHBondContact CE-O 3.33Å; K218-K488 PolarHBondContact NZ-O 3.46Å; G419-K488 WeakPolarHBondContact O-CD 3.26Å; G419-K488 VanDerWaalsContact O-CE 3.31Å; G419-K488 WeakPolarHBondContact O-CE 3.47Å; R421-K488 CarbonylContact O-C 3.6Å; R421-K488 VanDerWaalsContact O-CA 3.27Å; R421-K488 WeakPolarHBondContact O-CA 2.84Å; V484-K488 PolarHBondContact O-N 3.3Å; E485-K488 WeakPolarHBondContact O-CB 3.12Å; E485-K488 PolarHBondContact O-N 2.92Å; E485-K488 WeakPolarHBondContact OE1-CE 3.24Å; E485-K488 IonicContact OE1-NZ 2.73Å; E485-K488 PolarHBondContact OE1-NZ 3.43Å; E485-K488 WeakPolarHBondContact OE2-CD 3.38Å; E485-K488 VanDerWaalsContact OE2-CE 3.29Å; E485-K488 WeakPolarHBondContact OE2-CE 3.22Å; E485-K488 IonicContact OE2-NZ 3.72Å; E485-K488 PolarHBondContact OE2-NZ 2.87Å; K488-L521 HydrophobicContact CB-CD1 4.47Å; K488-L521 HydrophobicContact CB-CD2 4.3Å
489	Q	90.3	Very high	89.8	Confident	11 Å²	11	38.3 Å²	38.3	5%	0.051	19%	0.189	C	C	.	.			trans	-140.5	141.3	167.9	-83.7	172	-101.1	0	0	110.8	G216 L217 K218 R421 K493 L495	G216-Q489 PolarHBondContact O-NE2 3.5Å; L217-Q489 VanDerWaalsContact CA-OE1 3.32Å; K218-Q489 VanDerWaalsContact CE-CD 3.49Å; K218-Q489 VanDerWaalsContact CE-OE1 3.3Å; R421-Q489 PolarHBondContact O-N 3.34Å; Q489-K493 PolarHBondContact NE2-O 2.97Å; Q489-K493 VanDerWaalsContact NE2-O 3.08Å; Q489-L495 HydrophobicContact CG-CD1 4.33Å
490	P	87.6	Confident	90.1	Very high	66 Å²	66	34.4 Å²	34.4	43%	0.429	18%	0.175	S	C	.	.			trans	-69.2	144.1	163.8	31	-32.7	0	0	0	109.9	K493	P490-K493 HydrophobicContact CG-CB 4.05Å; P490-K493 HydrophobicContact CG-CD 3.69Å; P490-K493 HydrophobicContact CG-CG 3.88Å; P490-K493 PolarHBondContact O-N 3.32Å
491	V	86.1	Confident	90.2	Very high	68 Å²	68	34.2 Å²	34.2	41%	0.412	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	143.3	179.4	-179.3	0	0	0	0	110.3	K493	V491-K493 PolarHBondContact O-N 3.32Å
492	H	89.2	Confident	90.2	Very high	37 Å²	37	29 Å²	29	17%	0.171	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	21.9	-176.7	-47.4	-33.7	0	0	0	115.2	D248 L251 T278 Y282	D248-H492 VanDerWaalsContact CG-N 3.3Å; D248-H492 WeakPolarHBondContact OD1-CA 3.24Å; D248-H492 IonicContact OD1-CE1 2.73Å; D248-H492 IonicContact OD1-CG 2.77Å; D248-H492 PolarHBondContact OD1-N 3.29Å; D248-H492 IonicContact OD1-ND1 3.18Å; D248-H492 PolarHBondContact OD1-ND1 3.16Å; D248-H492 PolarHBondContact OD2-N 3.01Å; L251-H492 HydrophobicContact CD1-CB 3.98Å; T278-H492 WeakPolarHBondContact CG2-NE2 3.04Å; Y282-H492 HydrophobicContact CE1-CB 4.29Å; Y282-H492 HydrophobicContact CE2-CB 3.82Å
493	K	88.2	Confident	90.2	Very high	101 Å²	101	27.8 Å²	27.8	44%	0.439	15%	0.15	S	C	.	.			trans	-116.4	69.5	160.1	-59.8	-159.7	-164.9	-174.5	0	111.7	Q489 P490 V491 E525	Q489-K493 PolarHBondContact NE2-O 2.97Å; Q489-K493 VanDerWaalsContact NE2-O 3.08Å; P490-K493 HydrophobicContact CG-CB 4.05Å; P490-K493 HydrophobicContact CG-CD 3.69Å; P490-K493 HydrophobicContact CG-CG 3.88Å; P490-K493 PolarHBondContact O-N 3.32Å; V491-K493 PolarHBondContact O-N 3.32Å; K493-E525 IonicContact NZ-OE1 2.64Å; K493-E525 PolarHBondContact NZ-OE1 3.21Å; K493-E525 IonicContact NZ-OE2 3.86Å
494	P	90.7	Very high	90.2	Very high	32 Å²	32	27.6 Å²	27.6	21%	0.208	15%	0.148	C	C	.	.			trans	-63.4	140.9	168.8	28.4	-34.5	0	0	0	110.8	G216 L251 N252	G216-P494 WeakPolarHBondContact O-CA 3.33Å; L251-P494 HydrophobicContact CB-CG 4.13Å; N252-P494 HydrophobicContact CB-CB 3.83Å; N252-P494 HydrophobicContact CB-CG 4.39Å
495	L	91.4	Very high	90.1	Very high	23 Å²	23	28.8 Å²	28.8	12%	0.12	15%	0.152	C	C	.	.			trans	-107.8	130.4	-176.2	-71.3	171.1	0	0	0	111.7	G216 K218 Q489 Q500 E524 Y528	G216-L495 WeakPolarHBondContact CA-O 3.13Å; G216-L495 PolarHBondContact O-N 3.2Å; K218-L495 HydrophobicContact CD-CD1 3.76Å; K218-L495 HydrophobicContact CG-CD1 4.05Å; Q489-L495 HydrophobicContact CG-CD1 4.33Å; L495-Q500 HydrophobicContact CB-CG 3.91Å; L495-Q500 PolarHBondContact O-NE2 3.33Å; L495-E524 WeakPolarHBondContact CD1-OE1 3.1Å; L495-Y528 HydrophobicContact CD1-CE2 3.98Å; L495-Y528 HydrophobicContact CD2-CD2 4.17Å; L495-Y528 HydrophobicContact CD2-CE2 3.63Å; L495-Y528 HydrophobicContact CG-CE2 4.48Å
496	P	91.3	Very high	89.8	Confident	55 Å²	55	27.5 Å²	27.5	36%	0.357	15%	0.147	S	C	.	.			trans	-53.3	142.8	170.1	-26.3	34.9	0	0	0	112.2	E498 K499 Q500	P496-E498 HydrophobicContact CB-CG 4.24Å; P496-E498 WeakPolarHBondContact CB-OE2 3.36Å; P496-E498 PolarHBondContact O-N 2.89Å; P496-E498 VanDerWaalsContact O-N 3.12Å; P496-K499 WeakPolarHBondContact O-CB 3.07Å; P496-K499 PolarHBondContact O-N 2.82Å; P496-Q500 PolarHBondContact O-N 2.88Å; P496-Q500 VanDerWaalsContact O-N 3.13Å
497	V	91.1	Very high	89.6	Confident	21 Å²	21	27.6 Å²	27.6	13%	0.127	15%	0.147	C	C	.	.	H	α-helix	trans	-58.6	-32	-171.9	69.1	0	0	0	0	112.7	Q214 I439 M442 Q500 V501	Q214-V497 HydrophobicContact CG-CB 4.43Å; I439-V497 HydrophobicContact CD1-CG1 4.07Å; I439-V497 HydrophobicContact CD1-CG2 3.66Å; I439-V497 HydrophobicContact CG1-CG2 4.19Å; M442-V497 HydrophobicContact CE-CG2 4.21Å; V497-Q500 PolarHBondContact O-N 3.4Å; V497-V501 WeakPolarHBondContact O-CB 3.45Å; V497-V501 VanDerWaalsContact O-CG2 3.26Å; V497-V501 WeakPolarHBondContact O-CG2 3.38Å; V497-V501 PolarHBondContact O-N 3.02Å
498	E	89.7	Confident	89.3	Confident	18 Å²	18	28.3 Å²	28.3	8%	0.084	15%	0.152	C	C	.	.	H	α-helix	trans	-65.3	-36	175.4	62.1	-93.4	-141.6	0	0	113.2	P496 V502 F539 I542 R543	P496-E498 HydrophobicContact CB-CG 4.24Å; P496-E498 WeakPolarHBondContact CB-OE2 3.36Å; P496-E498 PolarHBondContact O-N 2.89Å; P496-E498 VanDerWaalsContact O-N 3.12Å; E498-V502 WeakPolarHBondContact O-CG2 3.43Å; E498-V502 PolarHBondContact O-N 2.7Å; E498-V502 VanDerWaalsContact O-N 3.14Å; E498-F539 HydrophobicContact CB-CB 4.27Å; E498-F539 HydrophobicContact CB-CD1 3.73Å; E498-F539 HydrophobicContact CB-CE1 4.49Å; E498-F539 HydrophobicContact CB-CG 4.29Å; E498-F539 HydrophobicContact CG-CB 3.89Å; E498-F539 HydrophobicContact CG-CD1 3.7Å; E498-F539 HydrophobicContact CG-CE1 4.4Å; E498-F539 HydrophobicContact CG-CG 3.88Å; E498-I542 HydrophobicContact CB-CB 4.08Å; E498-I542 HydrophobicContact CB-CD1 4.5Å; E498-I542 HydrophobicContact CB-CG2 3.95Å; E498-R543 HydrophobicContact CB-CG 4.49Å; E498-R543 HydrophobicContact CG-CG 4.34Å; E498-R543 WeakPolarHBondContact OE1-CD 3.41Å; E498-R543 WeakPolarHBondContact OE1-CG 3.21Å; E498-R543 IonicContact OE1-CZ 3.33Å; E498-R543 IonicContact OE1-NE 2.72Å; E498-R543 IonicContact OE1-NH1 3.16Å; E498-R543 PolarHBondContact OE1-NH1 3.34Å
499	K	91.4	Very high	88.9	Confident	30 Å²	30	31.1 Å²	31.1	13%	0.13	17%	0.166	C	C	.	.	H	α-helix	trans	-71.6	-44.1	174.8	-69.2	-163.6	173.9	-167.5	0	110.6	P496 V501 V502 I503 Y528 D532 F539	P496-K499 WeakPolarHBondContact O-CB 3.07Å; P496-K499 PolarHBondContact O-N 2.82Å; K499-V501 VanDerWaalsContact C-N 3.32Å; K499-V501 PolarHBondContact O-N 3Å; K499-V502 PolarHBondContact O-N 3.46Å; K499-V502 VanDerWaalsContact O-N 3.16Å; K499-I503 PolarHBondContact O-N 3.46Å; K499-I503 VanDerWaalsContact O-N 3.1Å; K499-Y528 HydrophobicContact CB-CD1 3.92Å; K499-Y528 HydrophobicContact CB-CE1 3.64Å; K499-Y528 HydrophobicContact CD-CD1 3.95Å; K499-Y528 HydrophobicContact CD-CD2 4.25Å; K499-Y528 HydrophobicContact CD-CE1 4.48Å; K499-Y528 HydrophobicContact CD-CG 3.83Å; K499-Y528 HydrophobicContact CG-CD1 4.04Å; K499-Y528 HydrophobicContact CG-CE1 4.29Å; K499-Y528 HydrophobicContact CG-CG 4.44Å; K499-Y528 WeakPolarHBondContact O-CE1 3.2Å; K499-D532 WeakPolarHBondContact CE-OD1 3.42Å; K499-D532 IonicContact NZ-OD1 3.66Å; K499-D532 PolarHBondContact NZ-OD1 3.01Å; K499-D532 IonicContact NZ-OD2 3.79Å; K499-D532 PolarHBondContact NZ-OD2 3.07Å; K499-F539 HydrophobicContact CD-CZ 4.47Å; K499-F539 HydrophobicContact CG-CE1 3.99Å; K499-F539 HydrophobicContact CG-CE2 4.21Å; K499-F539 HydrophobicContact CG-CZ 3.71Å
500	Q	92	Very high	88.5	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-56.7	-44.6	172.6	-55.7	-175.6	27.2	0	0	112	K218 D221 M442 L495 P496 V497 V502 I503 L504	K218-Q500 HydrophobicContact CG-CB 4.22Å; K218-Q500 HydrophobicContact CG-CG 3.88Å; D221-Q500 VanDerWaalsContact CB-OE1 3.27Å; D221-Q500 PolarHBondContact OD2-NE2 3.12Å; D221-Q500 PolarHBondContact OD2-OE1 3.18Å; M442-Q500 HydrophobicContact CE-CB 3.85Å; L495-Q500 HydrophobicContact CB-CG 3.91Å; L495-Q500 PolarHBondContact O-NE2 3.33Å; P496-Q500 PolarHBondContact O-N 2.88Å; P496-Q500 VanDerWaalsContact O-N 3.13Å; V497-Q500 PolarHBondContact O-N 3.4Å; Q500-V502 VanDerWaalsContact C-N 3.33Å; Q500-V502 PolarHBondContact O-N 2.91Å; Q500-I503 WeakPolarHBondContact O-CG2 3.33Å; Q500-L504 WeakPolarHBondContact O-CB 3.38Å; Q500-L504 WeakPolarHBondContact O-CG 3.46Å; Q500-L504 PolarHBondContact O-N 3.32Å
501	V	90.6	Very high	88.1	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.006	16%	0.16	C	C	.	.	H	α-helix	trans	-61.6	-40.1	177.8	164.1	0	0	0	0	111.5	I439 A441 M442 V445 V497 K499 Y505 I542 L548	I439-V501 HydrophobicContact CD1-CG2 4.49Å; A441-V501 HydrophobicContact CB-CG1 4.03Å; A441-V501 HydrophobicContact CB-CG2 4.04Å; M442-V501 HydrophobicContact CB-CG2 4.24Å; M442-V501 HydrophobicContact CE-CG2 4.24Å; V445-V501 HydrophobicContact CG2-CG2 4.45Å; V497-V501 WeakPolarHBondContact O-CB 3.45Å; V497-V501 VanDerWaalsContact O-CG2 3.26Å; V497-V501 WeakPolarHBondContact O-CG2 3.38Å; V497-V501 PolarHBondContact O-N 3.02Å; K499-V501 VanDerWaalsContact C-N 3.32Å; K499-V501 PolarHBondContact O-N 3Å; V501-Y505 VanDerWaalsContact O-CB 3.25Å; V501-Y505 WeakPolarHBondContact O-CB 3.26Å; V501-Y505 PolarHBondContact O-N 3.42Å; V501-I542 HydrophobicContact CB-CD1 4.47Å; V501-I542 HydrophobicContact CG1-CD1 3.91Å; V501-L548 HydrophobicContact CG1-CD2 3.58Å
502	V	88.3	Confident	88	Confident	15 Å²	15	27.1 Å²	27.1	9%	0.091	14%	0.14	C	C	.	.	H	α-helix	trans	-69.9	-43.5	-179.6	166.5	0	0	0	0	112.7	E498 K499 Q500 Y505 A506 L527 F531 F539 I542	E498-V502 WeakPolarHBondContact O-CG2 3.43Å; E498-V502 PolarHBondContact O-N 2.7Å; E498-V502 VanDerWaalsContact O-N 3.14Å; K499-V502 PolarHBondContact O-N 3.46Å; K499-V502 VanDerWaalsContact O-N 3.16Å; Q500-V502 VanDerWaalsContact C-N 3.33Å; Q500-V502 PolarHBondContact O-N 2.91Å; V502-Y505 WeakPolarHBondContact O-CB 3.15Å; V502-Y505 PolarHBondContact O-N 2.69Å; V502-A506 PolarHBondContact O-N 2.9Å; V502-L527 HydrophobicContact CG1-CD1 4.24Å; V502-L527 HydrophobicContact CG1-CD2 4.18Å; V502-L527 HydrophobicContact CG1-CG 4.35Å; V502-F531 HydrophobicContact CG1-CD1 4.18Å; V502-F531 HydrophobicContact CG1-CE1 3.8Å; V502-F531 HydrophobicContact CG1-CE2 4.17Å; V502-F531 HydrophobicContact CG1-CZ 3.78Å; V502-F531 HydrophobicContact CG2-CD1 4.45Å; V502-F531 HydrophobicContact CG2-CE1 4.12Å; V502-F539 HydrophobicContact CB-CE1 4.15Å; V502-F539 HydrophobicContact CG2-CD1 4.26Å; V502-F539 HydrophobicContact CG2-CE1 3.68Å; V502-I542 HydrophobicContact CG2-CD1 4.17Å
503	I	90.2	Very high	87.5	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-67.4	-37.5	175.9	-170.2	66.4	0	0	0	111.9	K218 V486 K499 Q500 Y505 A506 L507 L512 E524 L527 Y528	K218-I503 HydrophobicContact CD-CG2 3.92Å; V486-I503 HydrophobicContact CG1-CG1 3.79Å; V486-I503 HydrophobicContact CG1-CG2 4.4Å; V486-I503 HydrophobicContact CG2-CG1 4.31Å; K499-I503 PolarHBondContact O-N 3.46Å; K499-I503 VanDerWaalsContact O-N 3.1Å; Q500-I503 WeakPolarHBondContact O-CG2 3.33Å; I503-Y505 VanDerWaalsContact C-N 3.34Å; I503-A506 PolarHBondContact O-N 2.82Å; I503-L507 WeakPolarHBondContact O-CB 3.35Å; I503-L507 PolarHBondContact O-N 2.97Å; I503-L512 HydrophobicContact CD1-CD1 4.23Å; I503-L512 HydrophobicContact CD1-CD2 4.28Å; I503-E524 HydrophobicContact CD1-CB 4.3Å; I503-E524 HydrophobicContact CD1-CG 4.18Å; I503-E524 HydrophobicContact CG1-CG 4.22Å; I503-L527 HydrophobicContact CB-CD2 4.21Å; I503-L527 HydrophobicContact CD1-CD2 3.59Å; I503-L527 HydrophobicContact CG1-CD2 4.48Å; I503-Y528 HydrophobicContact CB-CE1 4.33Å; I503-Y528 WeakPolarHBondContact CG2-OH 3.5Å
504	L	90.1	Very high	86.9	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-69.4	-31.2	174.9	-68	173	0	0	0	112.3	A222 M442 V445 L449 V486 L487 Q500 L507 T508	A222-L504 HydrophobicContact CB-CD1 3.84Å; M442-L504 HydrophobicContact CE-CD1 4.03Å; M442-L504 HydrophobicContact SD-CD1 3.66Å; V445-L504 HydrophobicContact CB-CB 4.06Å; V445-L504 HydrophobicContact CG2-CB 3.71Å; V445-L504 HydrophobicContact CG2-CD1 4.3Å; L449-L504 HydrophobicContact CD2-CD2 3.81Å; V486-L504 HydrophobicContact CG1-CD2 4.22Å; L487-L504 HydrophobicContact CD2-CD2 4.4Å; Q500-L504 WeakPolarHBondContact O-CB 3.38Å; Q500-L504 WeakPolarHBondContact O-CG 3.46Å; Q500-L504 PolarHBondContact O-N 3.32Å; L504-L507 HydrophobicContact CD2-CD2 4.3Å; L504-T508 WeakPolarHBondContact O-CB 3.49Å; L504-T508 WeakPolarHBondContact O-CG2 3.48Å; L504-T508 PolarHBondContact O-N 2.97Å; L504-T508 PolarHBondContact O-OG1 3.16Å
505	Y	87.5	Confident	86.1	Confident	42 Å²	42	28.5 Å²	28.5	17%	0.165	15%	0.152	C	C	.	.	H	α-helix	trans	-64.5	-46.7	169.7	-172.1	-86.1	0	0	0	111	V445 V501 V502 I503 L507 T508 H509 F511 L548	V445-Y505 HydrophobicContact CG1-CD2 4.04Å; V501-Y505 VanDerWaalsContact O-CB 3.25Å; V501-Y505 WeakPolarHBondContact O-CB 3.26Å; V501-Y505 PolarHBondContact O-N 3.42Å; V502-Y505 WeakPolarHBondContact O-CB 3.15Å; V502-Y505 PolarHBondContact O-N 2.69Å; I503-Y505 VanDerWaalsContact C-N 3.34Å; Y505-L507 VanDerWaalsContact C-N 3.35Å; Y505-L507 PolarHBondContact O-N 2.8Å; Y505-T508 WeakPolarHBondContact CA-OG1 3.3Å; Y505-T508 PolarHBondContact O-N 3.18Å; Y505-T508 PolarHBondContact O-OG1 2.98Å; Y505-T508 VanDerWaalsContact O-OG1 3.06Å; Y505-H509 AromaticContact CD1-ND1 3.7Å; Y505-H509 AromaticContact CD2-CE1 3.46Å; Y505-H509 VanDerWaalsContact CD2-CE1 3.46Å; Y505-H509 WeakPolarHBondContact CD2-CE1 3.37Å; Y505-H509 AromaticContact CD2-ND1 3.69Å; Y505-H509 AromaticContact CE1-CG 3.96Å; Y505-H509 AromaticContact CE1-ND1 3.69Å; Y505-H509 AromaticContact CE2-CE1 3.21Å; Y505-H509 WeakPolarHBondContact CE2-CE1 3.37Å; Y505-H509 AromaticContact CE2-ND1 3.67Å; Y505-H509 AromaticContact CE2-NE2 3.75Å; Y505-H509 AromaticContact CG-CE1 3.97Å; Y505-H509 AromaticContact CG-ND1 3.69Å; Y505-H509 AromaticContact CZ-CE1 3.52Å; Y505-H509 AromaticContact CZ-ND1 3.67Å; Y505-H509 AromaticContact CZ-NE2 3.78Å; Y505-H509 WeakPolarHBondContact O-CB 3.11Å; Y505-H509 PolarHBondContact O-N 3.49Å; Y505-H509 PolarHBondContact O-ND1 2.89Å; Y505-F511 HydrophobicContact CD1-CE2 4.28Å; Y505-F511 AromaticContact CE1-CE2 3.97Å; Y505-F511 HydrophobicContact CE1-CE2 3.97Å; Y505-F511 HydrophobicContact CE1-CZ 4.49Å; Y505-L548 HydrophobicContact CD2-CD1 4.16Å; Y505-L548 HydrophobicContact CE2-CD1 4.26Å
506	A	85.5	Confident	85.3	Confident	6 Å²	6	30.7 Å²	30.7	5%	0.05	17%	0.168	C	C	.	.	H	α-helix	trans	-60.7	-41.5	176.5	0	0	0	0	0	112.5	V502 I503 G510 F511 L512	V502-A506 PolarHBondContact O-N 2.9Å; I503-A506 PolarHBondContact O-N 2.82Å; A506-G510 PolarHBondContact O-N 2.87Å; A506-F511 HydrophobicContact CB-CB 4.22Å; A506-F511 HydrophobicContact CB-CD2 4.35Å; A506-F511 PolarHBondContact O-N 2.72Å; A506-L512 HydrophobicContact CB-CD2 4.06Å; A506-L512 HydrophobicContact CB-CG 4.24Å
507	L	87.8	Confident	84.9	Confident	2 Å²	2	29.8 Å²	29.8	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-63	-48.9	174.1	177.8	66	0	0	0	112	L449 R479 R482 T483 V486 I503 L504 Y505 H509 G510 L512	L449-L507 HydrophobicContact CD1-CD2 3.87Å; R479-L507 PolarHBondContact NH1-O 2.91Å; R482-L507 HydrophobicContact CB-CD1 4.15Å; T483-L507 HydrophobicContact CG2-CD2 4.02Å; V486-L507 HydrophobicContact CB-CD2 4.2Å; V486-L507 HydrophobicContact CG1-CD2 3.98Å; V486-L507 HydrophobicContact CG2-CD1 4.32Å; V486-L507 HydrophobicContact CG2-CD2 4.5Å; I503-L507 WeakPolarHBondContact O-CB 3.35Å; I503-L507 PolarHBondContact O-N 2.97Å; L504-L507 HydrophobicContact CD2-CD2 4.3Å; Y505-L507 VanDerWaalsContact C-N 3.35Å; Y505-L507 PolarHBondContact O-N 2.8Å; L507-H509 VanDerWaalsContact C-N 3.34Å; L507-H509 PolarHBondContact O-N 3.37Å; L507-G510 PolarHBondContact O-N 2.61Å; L507-L512 HydrophobicContact CB-CD1 3.81Å; L507-L512 HydrophobicContact CD1-CD1 4.04Å
508	T	85	Confident	84.2	Confident	29 Å²	29	35.9 Å²	35.9	18%	0.178	19%	0.193	C	C	.	.	H	α-helix	trans	-66.3	-35.2	-177.6	42.4	0	0	0	0	113	V445 R479 L504 Y505 G510	V445-T508 WeakPolarHBondContact O-CG2 3.39Å; R479-T508 PolarHBondContact NH1-O 2.68Å; R479-T508 PolarHBondContact NH2-O 2.72Å; L504-T508 WeakPolarHBondContact O-CB 3.49Å; L504-T508 WeakPolarHBondContact O-CG2 3.48Å; L504-T508 PolarHBondContact O-N 2.97Å; L504-T508 PolarHBondContact O-OG1 3.16Å; Y505-T508 WeakPolarHBondContact CA-OG1 3.3Å; Y505-T508 PolarHBondContact O-N 3.18Å; Y505-T508 PolarHBondContact O-OG1 2.98Å; Y505-T508 VanDerWaalsContact O-OG1 3.06Å; T508-G510 VanDerWaalsContact C-N 3.33Å
509	H	82.9	Confident	83.7	Confident	96 Å²	96	39 Å²	39	44%	0.444	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	4.1	179.9	-62	78	0	0	0	113.8	Y505 L507 F511	Y505-H509 AromaticContact CD1-ND1 3.7Å; Y505-H509 AromaticContact CD2-CE1 3.46Å; Y505-H509 VanDerWaalsContact CD2-CE1 3.46Å; Y505-H509 WeakPolarHBondContact CD2-CE1 3.37Å; Y505-H509 AromaticContact CD2-ND1 3.69Å; Y505-H509 AromaticContact CE1-CG 3.96Å; Y505-H509 AromaticContact CE1-ND1 3.69Å; Y505-H509 AromaticContact CE2-CE1 3.21Å; Y505-H509 WeakPolarHBondContact CE2-CE1 3.37Å; Y505-H509 AromaticContact CE2-ND1 3.67Å; Y505-H509 AromaticContact CE2-NE2 3.75Å; Y505-H509 AromaticContact CG-CE1 3.97Å; Y505-H509 AromaticContact CG-ND1 3.69Å; Y505-H509 AromaticContact CZ-CE1 3.52Å; Y505-H509 AromaticContact CZ-ND1 3.67Å; Y505-H509 AromaticContact CZ-NE2 3.78Å; Y505-H509 WeakPolarHBondContact O-CB 3.11Å; Y505-H509 PolarHBondContact O-N 3.49Å; Y505-H509 PolarHBondContact O-ND1 2.89Å; L507-H509 VanDerWaalsContact C-N 3.34Å; L507-H509 PolarHBondContact O-N 3.37Å; H509-F511 VanDerWaalsContact C-N 3.32Å; H509-F511 HydrophobicContact CB-CD1 4.24Å; H509-F511 HydrophobicContact CB-CD2 4.47Å; H509-F511 HydrophobicContact CB-CE1 3.87Å; H509-F511 HydrophobicContact CB-CE2 4.13Å; H509-F511 HydrophobicContact CB-CZ 3.8Å; H509-F511 PolarHBondContact O-N 3.24Å
510	G	81.7	Confident	83.4	Confident	15 Å²	15	37.6 Å²	37.6	16%	0.155	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	14.2	174.7	0	0	0	0	0	114.7	A506 L507 T508 L512 D513	A506-G510 PolarHBondContact O-N 2.87Å; L507-G510 PolarHBondContact O-N 2.61Å; T508-G510 VanDerWaalsContact C-N 3.33Å; G510-L512 PolarHBondContact O-N 3.18Å; G510-D513 WeakPolarHBondContact CA-OD2 3.46Å; G510-D513 VanDerWaalsContact O-CB 3.31Å; G510-D513 WeakPolarHBondContact O-CB 3.39Å; G510-D513 PolarHBondContact O-N 3.2Å
511	F	79.6	Confident	83.1	Confident	46 Å²	46	40.9 Å²	40.9	20%	0.202	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-15.4	178.2	-57.2	-18.8	0	0	0	112.7	Y505 A506 H509 T555 A558	Y505-F511 HydrophobicContact CD1-CE2 4.28Å; Y505-F511 AromaticContact CE1-CE2 3.97Å; Y505-F511 HydrophobicContact CE1-CE2 3.97Å; Y505-F511 HydrophobicContact CE1-CZ 4.49Å; A506-F511 HydrophobicContact CB-CB 4.22Å; A506-F511 HydrophobicContact CB-CD2 4.35Å; A506-F511 PolarHBondContact O-N 2.72Å; H509-F511 VanDerWaalsContact C-N 3.32Å; H509-F511 HydrophobicContact CB-CD1 4.24Å; H509-F511 HydrophobicContact CB-CD2 4.47Å; H509-F511 HydrophobicContact CB-CE1 3.87Å; H509-F511 HydrophobicContact CB-CE2 4.13Å; H509-F511 HydrophobicContact CB-CZ 3.8Å; H509-F511 PolarHBondContact O-N 3.24Å; F511-T555 HydrophobicContact CZ-CG2 3.95Å; F511-A558 HydrophobicContact CD2-CB 4.45Å
512	L	83.8	Confident	82.4	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-9.8	173.1	-51.6	-175.1	0	0	0	113.2	R482 V486 I503 A506 L507 G510 D514 V515 F523	R482-L512 VanDerWaalsContact CD-O 3.24Å; R482-L512 WeakPolarHBondContact CD-O 3.2Å; R482-L512 PolarHBondContact NE-O 2.59Å; V486-L512 HydrophobicContact CG2-CD1 3.31Å; I503-L512 HydrophobicContact CD1-CD1 4.23Å; I503-L512 HydrophobicContact CD1-CD2 4.28Å; A506-L512 HydrophobicContact CB-CD2 4.06Å; A506-L512 HydrophobicContact CB-CG 4.24Å; L507-L512 HydrophobicContact CB-CD1 3.81Å; L507-L512 HydrophobicContact CD1-CD1 4.04Å; G510-L512 PolarHBondContact O-N 3.18Å; L512-D514 PolarHBondContact O-N 3.13Å; L512-V515 WeakPolarHBondContact O-CB 3.12Å; L512-V515 PolarHBondContact O-N 2.88Å; L512-F523 HydrophobicContact CD2-CD1 3.86Å; L512-F523 HydrophobicContact CD2-CE1 3.25Å; L512-F523 HydrophobicContact CD2-CZ 4.07Å
513	D	79.6	Confident	82.1	Confident	67 Å²	67	43.8 Å²	43.8	36%	0.358	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-25.3	-170.7	-67.6	-21.4	0	0	0	112.8	R482 G510	R482-D513 VanDerWaalsContact CZ-O 3.25Å; R482-D513 PolarHBondContact NH2-O 2.77Å; G510-D513 WeakPolarHBondContact CA-OD2 3.46Å; G510-D513 VanDerWaalsContact O-CB 3.31Å; G510-D513 WeakPolarHBondContact O-CB 3.39Å; G510-D513 PolarHBondContact O-N 3.2Å
514	D	74.9	Confident	81.9	Confident	120 Å²	120	44.2 Å²	44.2	64%	0.642	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-16.9	172.1	-65.5	-42.2	0	0	0	113.4	L512 K559	L512-D514 PolarHBondContact O-N 3.13Å; D514-K559 IonicContact OD2-NZ 2.7Å; D514-K559 PolarHBondContact OD2-NZ 3.46Å
515	V	74.2	Confident	81.6	Confident	11 Å²	11	48.8 Å²	48.8	7%	0.067	27%	0.265	C	S	.	.	S	Bend	trans	-81.6	132.4	-175	-171.2	0	0	0	0	110	R482 L512 D519 I520 F523	R482-V515 PolarHBondContact NE-O 2.92Å; R482-V515 PolarHBondContact NH2-O 2.99Å; L512-V515 WeakPolarHBondContact O-CB 3.12Å; L512-V515 PolarHBondContact O-N 2.88Å; V515-D519 HydrophobicContact CG1-CB 4.36Å; V515-I520 HydrophobicContact CB-CG1 4.33Å; V515-I520 HydrophobicContact CG1-CG1 3.87Å; V515-F523 HydrophobicContact CB-CD2 4.45Å; V515-F523 HydrophobicContact CB-CE2 4.45Å; V515-F523 HydrophobicContact CG1-CB 4.14Å; V515-F523 HydrophobicContact CG1-CD2 3.81Å; V515-F523 HydrophobicContact CG1-CE2 4.29Å; V515-F523 HydrophobicContact CG1-CG 3.94Å; V515-F523 HydrophobicContact CG2-CD1 4.25Å; V515-F523 HydrophobicContact CG2-CD2 3.69Å; V515-F523 HydrophobicContact CG2-CE1 3.92Å; V515-F523 HydrophobicContact CG2-CE2 3.28Å; V515-F523 HydrophobicContact CG2-CG 4.14Å; V515-F523 HydrophobicContact CG2-CZ 3.39Å
516	P	75	Confident	81.1	Confident	70 Å²	70	47 Å²	47	46%	0.455	26%	0.258	S	S	.	.			trans	-60.9	137.7	171.7	-21.9	34.7	0	0	0	110.8	N518 D519	P516-N518 PolarHBondContact O-N 2.81Å; P516-N518 VanDerWaalsContact O-N 3.15Å; P516-D519 HydrophobicContact CB-CB 4.44Å; P516-D519 WeakPolarHBondContact CB-OD2 3.44Å; P516-D519 VanDerWaalsContact CG-OD2 3.24Å; P516-D519 WeakPolarHBondContact CG-OD2 3.31Å; P516-D519 PolarHBondContact O-N 3.38Å
517	V	81.2	Confident	81	Confident	36 Å²	36	46.9 Å²	46.9	22%	0.218	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-55	-40.3	-172	177.9	0	0	0	0	112	R481 R482 E485 D519 I520	R481-V517 HydrophobicContact CB-CG1 4.38Å; R481-V517 HydrophobicContact CB-CG2 4.41Å; R482-V517 HydrophobicContact CG-CG2 4.3Å; E485-V517 HydrophobicContact CG-CG1 3.5Å; E485-V517 VanDerWaalsContact CG-CG1 3.5Å; V517-D519 VanDerWaalsContact C-N 3.28Å; V517-D519 PolarHBondContact O-N 3.28Å; V517-I520 PolarHBondContact O-N 3.46Å
518	N	78.1	Confident	80.9	Confident	149 Å²	149	47.3 Å²	47.3	80%	0.797	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-67.5	-25.2	-179.3	-58.1	4	0	0	0	113.6	P516	P516-N518 PolarHBondContact O-N 2.81Å; P516-N518 VanDerWaalsContact O-N 3.15Å
519	D	78.5	Confident	80.7	Confident	84 Å²	84	50.4 Å²	50.4	45%	0.449	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-89.7	-7.6	-173.6	-59.6	-25.2	0	0	0	112.4	V515 P516 V517 L521 A522 F523	V515-D519 HydrophobicContact CG1-CB 4.36Å; P516-D519 HydrophobicContact CB-CB 4.44Å; P516-D519 WeakPolarHBondContact CB-OD2 3.44Å; P516-D519 VanDerWaalsContact CG-OD2 3.24Å; P516-D519 WeakPolarHBondContact CG-OD2 3.31Å; P516-D519 PolarHBondContact O-N 3.38Å; V517-D519 VanDerWaalsContact C-N 3.28Å; V517-D519 PolarHBondContact O-N 3.28Å; D519-L521 VanDerWaalsContact C-N 3.29Å; D519-L521 PolarHBondContact O-N 3Å; D519-A522 PolarHBondContact O-N 2.77Å; D519-A522 VanDerWaalsContact O-N 3.1Å; D519-F523 WeakPolarHBondContact O-CB 3.2Å; D519-F523 PolarHBondContact O-N 3.26Å
520	I	85.6	Confident	80.4	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-58.7	-35.1	-170.7	-76.4	176.7	0	0	0	113.5	R482 E485 V486 V515 V517 E524	R482-I520 HydrophobicContact CB-CD1 3.81Å; R482-I520 HydrophobicContact CG-CD1 3.58Å; E485-I520 HydrophobicContact CB-CB 4.11Å; E485-I520 HydrophobicContact CB-CD1 4.28Å; E485-I520 HydrophobicContact CB-CG2 3.92Å; V486-I520 HydrophobicContact CG2-CG2 3.78Å; V515-I520 HydrophobicContact CB-CG1 4.33Å; V515-I520 HydrophobicContact CG1-CG1 3.87Å; V517-I520 PolarHBondContact O-N 3.46Å; I520-E524 VanDerWaalsContact O-CB 3.31Å; I520-E524 WeakPolarHBondContact O-CB 3.43Å; I520-E524 PolarHBondContact O-N 3.44Å
521	L	84.9	Confident	80.4	Confident	69 Å²	69	47.8 Å²	47.8	36%	0.361	26%	0.256	S	S	.	.	H	α-helix	trans	-74.1	-35	179.1	-66.2	174.7	0	0	0	112.6	K488 D519 E524 E525	K488-L521 HydrophobicContact CB-CD1 4.47Å; K488-L521 HydrophobicContact CB-CD2 4.3Å; D519-L521 VanDerWaalsContact C-N 3.29Å; D519-L521 PolarHBondContact O-N 3Å; L521-E524 PolarHBondContact O-N 2.8Å; L521-E525 PolarHBondContact O-N 3.2Å
522	A	76.3	Confident	80.4	Confident	45 Å²	45	49 Å²	49	37%	0.372	26%	0.264	S	S	.	.	H	α-helix	trans	-71.9	-38.4	173.2	0	0	0	0	0	111.1	D519 E524 E525 A526 T566	D519-A522 PolarHBondContact O-N 2.77Å; D519-A522 VanDerWaalsContact O-N 3.1Å; A522-E524 VanDerWaalsContact C-N 3.29Å; A522-E524 PolarHBondContact O-N 3.27Å; A522-E525 PolarHBondContact O-N 3.47Å; A522-A526 VanDerWaalsContact O-CB 3.25Å; A522-A526 WeakPolarHBondContact O-CB 3.37Å; A522-A526 PolarHBondContact O-N 3.33Å; A522-T566 HydrophobicContact CB-CG2 4.02Å
523	F	81	Confident	80.1	Confident	32 Å²	32	52.3 Å²	52.3	14%	0.14	29%	0.292	C	S	.	.	H	α-helix	trans	-62.8	-32.2	171	-175.8	-83	0	0	0	112.2	L512 V515 D519 L527 I562	L512-F523 HydrophobicContact CD2-CD1 3.86Å; L512-F523 HydrophobicContact CD2-CE1 3.25Å; L512-F523 HydrophobicContact CD2-CZ 4.07Å; V515-F523 HydrophobicContact CB-CD2 4.45Å; V515-F523 HydrophobicContact CB-CE2 4.45Å; V515-F523 HydrophobicContact CG1-CB 4.14Å; V515-F523 HydrophobicContact CG1-CD2 3.81Å; V515-F523 HydrophobicContact CG1-CE2 4.29Å; V515-F523 HydrophobicContact CG1-CG 3.94Å; V515-F523 HydrophobicContact CG2-CD1 4.25Å; V515-F523 HydrophobicContact CG2-CD2 3.69Å; V515-F523 HydrophobicContact CG2-CE1 3.92Å; V515-F523 HydrophobicContact CG2-CE2 3.28Å; V515-F523 HydrophobicContact CG2-CG 4.14Å; V515-F523 HydrophobicContact CG2-CZ 3.39Å; D519-F523 WeakPolarHBondContact O-CB 3.2Å; D519-F523 PolarHBondContact O-N 3.26Å; F523-L527 VanDerWaalsContact O-CB 3.28Å; F523-L527 WeakPolarHBondContact O-CB 3.45Å; F523-L527 PolarHBondContact O-N 2.9Å; F523-I562 HydrophobicContact CB-CG2 4.35Å; F523-I562 HydrophobicContact CD1-CD1 4.45Å; F523-I562 HydrophobicContact CD1-CG2 3.61Å; F523-I562 HydrophobicContact CD2-CB 3.98Å; F523-I562 HydrophobicContact CD2-CG2 3.44Å; F523-I562 VanDerWaalsContact CD2-CG2 3.44Å; F523-I562 HydrophobicContact CE1-CB 4.16Å; F523-I562 HydrophobicContact CE1-CD1 3.45Å; F523-I562 VanDerWaalsContact CE1-CD1 3.45Å; F523-I562 HydrophobicContact CE1-CG1 4.34Å; F523-I562 HydrophobicContact CE1-CG2 3.66Å; F523-I562 HydrophobicContact CE2-CB 3.56Å; F523-I562 HydrophobicContact CE2-CD1 4.09Å; F523-I562 HydrophobicContact CE2-CG1 4.39Å; F523-I562 HydrophobicContact CE2-CG2 3.52Å; F523-I562 HydrophobicContact CG-CB 4.47Å; F523-I562 HydrophobicContact CG-CG2 3.51Å; F523-I562 HydrophobicContact CZ-CB 3.69Å; F523-I562 HydrophobicContact CZ-CD1 3.26Å; F523-I562 HydrophobicContact CZ-CG1 4.02Å; F523-I562 HydrophobicContact CZ-CG2 3.65Å; F523-I562 WeakPolarHBondContact O-CG2 3.24Å
524	E	86.6	Confident	79.8	Confident	9 Å²	9	54.7 Å²	54.7	4%	0.042	30%	0.301	C	S	.	.	H	α-helix	trans	-71.3	-46.3	175.8	-179.9	175.9	165	0	0	112.3	K218 L495 I503 I520 L521 A522 A526 L527 Y528	K218-E524 WeakPolarHBondContact CE-OE1 3.46Å; K218-E524 IonicContact NZ-OE1 3.16Å; K218-E524 PolarHBondContact NZ-OE1 2.78Å; K218-E524 IonicContact NZ-OE2 3.61Å; K218-E524 PolarHBondContact NZ-OE2 2.85Å; L495-E524 WeakPolarHBondContact CD1-OE1 3.1Å; I503-E524 HydrophobicContact CD1-CB 4.3Å; I503-E524 HydrophobicContact CD1-CG 4.18Å; I503-E524 HydrophobicContact CG1-CG 4.22Å; I520-E524 VanDerWaalsContact O-CB 3.31Å; I520-E524 WeakPolarHBondContact O-CB 3.43Å; I520-E524 PolarHBondContact O-N 3.44Å; L521-E524 PolarHBondContact O-N 2.8Å; A522-E524 VanDerWaalsContact C-N 3.29Å; A522-E524 PolarHBondContact O-N 3.27Å; E524-A526 VanDerWaalsContact C-N 3.29Å; E524-A526 PolarHBondContact O-N 2.95Å; E524-L527 WeakPolarHBondContact O-CB 3.31Å; E524-L527 PolarHBondContact O-N 3.33Å; E524-Y528 VanDerWaalsContact CD-OH 3.31Å; E524-Y528 HydrophobicContact CG-CD2 4.13Å; E524-Y528 HydrophobicContact CG-CE1 4.35Å; E524-Y528 HydrophobicContact CG-CE2 3.36Å; E524-Y528 VanDerWaalsContact CG-CZ 3.48Å; E524-Y528 WeakPolarHBondContact CG-OH 3.22Å; E524-Y528 VanDerWaalsContact O-CD2 3.31Å; E524-Y528 WeakPolarHBondContact O-CD2 3.36Å; E524-Y528 PolarHBondContact O-N 3.35Å; E524-Y528 VanDerWaalsContact O-N 3.16Å; E524-Y528 WeakPolarHBondContact OE1-CE2 3.47Å; E524-Y528 PolarHBondContact OE1-OH 2.63Å
525	E	84	Confident	80	Confident	97 Å²	97	51.3 Å²	51.3	45%	0.453	28%	0.279	S	S	.	.	H	α-helix	trans	-63.1	-39.4	174.3	-62.6	-165.4	151.8	0	0	110.7	K493 L521 A522 L527 Y528 D529	K493-E525 IonicContact NZ-OE1 2.64Å; K493-E525 PolarHBondContact NZ-OE1 3.21Å; K493-E525 IonicContact NZ-OE2 3.86Å; L521-E525 PolarHBondContact O-N 3.2Å; A522-E525 PolarHBondContact O-N 3.47Å; E525-L527 PolarHBondContact O-N 3.39Å; E525-Y528 PolarHBondContact O-N 3.05Å; E525-D529 PolarHBondContact O-N 3.08Å; E525-D529 VanDerWaalsContact O-N 3.11Å
526	A	76.3	Confident	80.4	Confident	4 Å²	4	54.7 Å²	54.7	3%	0.033	29%	0.294	C	S	.	.	H	α-helix	trans	-61.3	-38.3	172.1	0	0	0	0	0	114.3	A522 E524 Y528 I562 L565	A522-A526 VanDerWaalsContact O-CB 3.25Å; A522-A526 WeakPolarHBondContact O-CB 3.37Å; A522-A526 PolarHBondContact O-N 3.33Å; E524-A526 VanDerWaalsContact C-N 3.29Å; E524-A526 PolarHBondContact O-N 2.95Å; A526-Y528 VanDerWaalsContact C-N 3.32Å; A526-I562 HydrophobicContact CB-CG2 3.99Å; A526-L565 HydrophobicContact CB-CB 3.42Å; A526-L565 VanDerWaalsContact CB-CB 3.42Å; A526-L565 VanDerWaalsContact O-CD1 3.28Å; A526-L565 WeakPolarHBondContact O-CD1 3.16Å
527	L	83.2	Confident	80.6	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.016	30%	0.297	C	S	.	.	H	α-helix	trans	-63.2	-41.5	176.1	170.3	65.2	0	0	0	110.6	V502 I503 F523 E524 E525 F531 I561 I562	V502-L527 HydrophobicContact CG1-CD1 4.24Å; V502-L527 HydrophobicContact CG1-CD2 4.18Å; V502-L527 HydrophobicContact CG1-CG 4.35Å; I503-L527 HydrophobicContact CB-CD2 4.21Å; I503-L527 HydrophobicContact CD1-CD2 3.59Å; I503-L527 HydrophobicContact CG1-CD2 4.48Å; F523-L527 VanDerWaalsContact O-CB 3.28Å; F523-L527 WeakPolarHBondContact O-CB 3.45Å; F523-L527 PolarHBondContact O-N 2.9Å; E524-L527 WeakPolarHBondContact O-CB 3.31Å; E524-L527 PolarHBondContact O-N 3.33Å; E525-L527 PolarHBondContact O-N 3.39Å; L527-F531 HydrophobicContact CD1-CD2 3.58Å; L527-F531 HydrophobicContact CD1-CE2 3.36Å; L527-F531 HydrophobicContact CD1-CZ 4.35Å; L527-F531 HydrophobicContact CG-CD2 4.4Å; L527-F531 WeakPolarHBondContact O-CB 3.32Å; L527-F531 VanDerWaalsContact O-CD2 3.29Å; L527-F531 WeakPolarHBondContact O-CD2 3.46Å; L527-F531 PolarHBondContact O-N 3.07Å; L527-F531 VanDerWaalsContact O-N 3.16Å; L527-I561 HydrophobicContact CD1-CG2 4.33Å; L527-I562 HydrophobicContact CB-CD1 4.45Å; L527-I562 HydrophobicContact CB-CG1 4.44Å; L527-I562 HydrophobicContact CB-CG2 3.96Å; L527-I562 HydrophobicContact CD1-CD1 3.7Å; L527-I562 HydrophobicContact CD1-CG1 4.01Å
528	Y	86.8	Confident	80.7	Confident	12 Å²	12	54.1 Å²	54.1	5%	0.047	29%	0.292	C	S	.	.	H	α-helix	trans	-73.2	-48.2	-176.1	-63.1	-29.1	0	0	0	113.5	L495 K499 I503 E524 E525 A526 Y530 F531 D532	L495-Y528 HydrophobicContact CD1-CE2 3.98Å; L495-Y528 HydrophobicContact CD2-CD2 4.17Å; L495-Y528 HydrophobicContact CD2-CE2 3.63Å; L495-Y528 HydrophobicContact CG-CE2 4.48Å; K499-Y528 HydrophobicContact CB-CD1 3.92Å; K499-Y528 HydrophobicContact CB-CE1 3.64Å; K499-Y528 HydrophobicContact CD-CD1 3.95Å; K499-Y528 HydrophobicContact CD-CD2 4.25Å; K499-Y528 HydrophobicContact CD-CE1 4.48Å; K499-Y528 HydrophobicContact CD-CG 3.83Å; K499-Y528 HydrophobicContact CG-CD1 4.04Å; K499-Y528 HydrophobicContact CG-CE1 4.29Å; K499-Y528 HydrophobicContact CG-CG 4.44Å; K499-Y528 WeakPolarHBondContact O-CE1 3.2Å; I503-Y528 HydrophobicContact CB-CE1 4.33Å; I503-Y528 WeakPolarHBondContact CG2-OH 3.5Å; E524-Y528 VanDerWaalsContact CD-OH 3.31Å; E524-Y528 HydrophobicContact CG-CD2 4.13Å; E524-Y528 HydrophobicContact CG-CE1 4.35Å; E524-Y528 HydrophobicContact CG-CE2 3.36Å; E524-Y528 VanDerWaalsContact CG-CZ 3.48Å; E524-Y528 WeakPolarHBondContact CG-OH 3.22Å; E524-Y528 VanDerWaalsContact O-CD2 3.31Å; E524-Y528 WeakPolarHBondContact O-CD2 3.36Å; E524-Y528 PolarHBondContact O-N 3.35Å; E524-Y528 VanDerWaalsContact O-N 3.16Å; E524-Y528 WeakPolarHBondContact OE1-CE2 3.47Å; E524-Y528 PolarHBondContact OE1-OH 2.63Å; E525-Y528 PolarHBondContact O-N 3.05Å; A526-Y528 VanDerWaalsContact C-N 3.32Å; Y528-Y530 VanDerWaalsContact C-N 3.26Å; Y528-Y530 PolarHBondContact O-N 3.03Å; Y528-F531 PolarHBondContact O-N 2.64Å; Y528-D532 PolarHBondContact O-N 2.75Å
529	D	79.9	Confident	81	Confident	93 Å²	93	47.1 Å²	47.1	50%	0.497	25%	0.254	S	S	.	.	H	α-helix	trans	-62.4	-35.1	-177.2	-78.8	1.2	0	0	0	111.9	E525 A533 L565	E525-D529 PolarHBondContact O-N 3.08Å; E525-D529 VanDerWaalsContact O-N 3.11Å; D529-A533 WeakPolarHBondContact O-CB 3.36Å; D529-A533 PolarHBondContact O-N 2.67Å; D529-A533 VanDerWaalsContact O-N 3.12Å; D529-L565 HydrophobicContact CB-CD1 3.87Å; D529-L565 HydrophobicContact CB-CD2 3.95Å
530	Y	76.5	Confident	81.4	Confident	43 Å²	43	48.4 Å²	48.4	17%	0.169	26%	0.258	C	S	.	.	H	α-helix	trans	-75.3	-39.3	175.5	-163.6	-63.9	0	0	0	112.3	Y528 A533 H534 Y535 I561 L565	Y528-Y530 VanDerWaalsContact C-N 3.26Å; Y528-Y530 PolarHBondContact O-N 3.03Å; Y530-A533 PolarHBondContact O-N 3.21Å; Y530-H534 HydrophobicContact CD1-CB 4Å; Y530-H534 AromaticContact CD1-CD2 3.94Å; Y530-H534 HydrophobicContact CE1-CB 3.87Å; Y530-H534 AromaticContact CE1-CD2 3.23Å; Y530-H534 WeakPolarHBondContact CE1-CD2 3.43Å; Y530-H534 AromaticContact CE1-CG 3.76Å; Y530-H534 AromaticContact CZ-CD2 3.49Å; Y530-H534 VanDerWaalsContact CZ-CD2 3.49Å; Y530-H534 PolarHBondContact O-N 3.37Å; Y530-Y535 HydrophobicContact CD1-CD2 4.46Å; Y530-Y535 HydrophobicContact CD1-CE2 4.34Å; Y530-Y535 AromaticContact CE1-CE2 3.96Å; Y530-Y535 HydrophobicContact CE1-CE2 3.96Å; Y530-I561 VanDerWaalsContact CB-CG2 3.47Å; Y530-I561 HydrophobicContact CD1-CB 3.82Å; Y530-I561 HydrophobicContact CD1-CD1 4Å; Y530-I561 HydrophobicContact CD1-CG1 3.66Å; Y530-I561 HydrophobicContact CD1-CG2 3.5Å; Y530-I561 VanDerWaalsContact CD1-CG2 3.5Å; Y530-I561 HydrophobicContact CD2-CB 4.39Å; Y530-I561 HydrophobicContact CD2-CG2 4.19Å; Y530-I561 WeakPolarHBondContact CD2-O 3.28Å; Y530-I561 HydrophobicContact CE1-CB 4.04Å; Y530-I561 HydrophobicContact CE1-CD1 4.12Å; Y530-I561 HydrophobicContact CE1-CG1 3.54Å; Y530-I561 HydrophobicContact CE1-CG2 4.23Å; Y530-I561 HydrophobicContact CG-CB 4Å; Y530-I561 HydrophobicContact CG-CG1 4.36Å; Y530-I561 HydrophobicContact CG-CG2 3.46Å; Y530-I561 VanDerWaalsContact CG-CG2 3.46Å; Y530-L565 HydrophobicContact CD2-CD1 4.34Å
531	F	82	Confident	81.4	Confident	14 Å²	14	50.7 Å²	50.7	6%	0.061	27%	0.272	C	S	.	.	H	α-helix	trans	-63.3	-41.8	174.4	-98	-110.8	0	0	0	111.6	V502 L527 Y528 A533 H534 Y535 E536 I538 F539 I561	V502-F531 HydrophobicContact CG1-CD1 4.18Å; V502-F531 HydrophobicContact CG1-CE1 3.8Å; V502-F531 HydrophobicContact CG1-CE2 4.17Å; V502-F531 HydrophobicContact CG1-CZ 3.78Å; V502-F531 HydrophobicContact CG2-CD1 4.45Å; V502-F531 HydrophobicContact CG2-CE1 4.12Å; L527-F531 HydrophobicContact CD1-CD2 3.58Å; L527-F531 HydrophobicContact CD1-CE2 3.36Å; L527-F531 HydrophobicContact CD1-CZ 4.35Å; L527-F531 HydrophobicContact CG-CD2 4.4Å; L527-F531 WeakPolarHBondContact O-CB 3.32Å; L527-F531 VanDerWaalsContact O-CD2 3.29Å; L527-F531 WeakPolarHBondContact O-CD2 3.46Å; L527-F531 PolarHBondContact O-N 3.07Å; L527-F531 VanDerWaalsContact O-N 3.16Å; Y528-F531 PolarHBondContact O-N 2.64Å; F531-A533 VanDerWaalsContact C-N 3.26Å; F531-A533 PolarHBondContact O-N 3.42Å; F531-H534 PolarHBondContact O-N 2.83Å; F531-Y535 CarbonylContact O-C 3.56Å; F531-Y535 VanDerWaalsContact O-C 3.26Å; F531-Y535 WeakPolarHBondContact O-CA 3.12Å; F531-Y535 PolarHBondContact O-N 3Å; F531-E536 PolarHBondContact O-N 3.34Å; F531-E536 VanDerWaalsContact O-N 3.11Å; F531-I538 HydrophobicContact CE1-CD1 3.98Å; F531-I538 HydrophobicContact CE1-CG2 4.48Å; F531-F539 HydrophobicContact CB-CE2 3.56Å; F531-F539 HydrophobicContact CB-CZ 3.52Å; F531-F539 HydrophobicContact CD1-CE1 4.17Å; F531-F539 HydrophobicContact CD1-CE2 4.45Å; F531-F539 AromaticContact CD1-CZ 3.96Å; F531-F539 HydrophobicContact CD1-CZ 3.96Å; F531-F539 HydrophobicContact CG-CE2 4.48Å; F531-F539 HydrophobicContact CG-CZ 4.08Å; F531-I561 HydrophobicContact CD2-CD1 3.82Å; F531-I561 HydrophobicContact CD2-CG2 3.94Å; F531-I561 HydrophobicContact CE2-CD1 3.45Å; F531-I561 VanDerWaalsContact CE2-CD1 3.45Å; F531-I561 HydrophobicContact CE2-CG2 4.16Å; F531-I561 HydrophobicContact CZ-CD1 4.22Å
532	D	79.6	Confident	81.5	Confident	70 Å²	70	47.5 Å²	47.5	37%	0.374	26%	0.255	S	S	.	.	H	α-helix	trans	-57.4	-41.4	171.8	-72.6	3.7	0	0	0	111	K499 Y528 F539	K499-D532 WeakPolarHBondContact CE-OD1 3.42Å; K499-D532 IonicContact NZ-OD1 3.66Å; K499-D532 PolarHBondContact NZ-OD1 3.01Å; K499-D532 IonicContact NZ-OD2 3.79Å; K499-D532 PolarHBondContact NZ-OD2 3.07Å; Y528-D532 PolarHBondContact O-N 2.75Å; D532-F539 VanDerWaalsContact OD1-CE2 3.25Å; D532-F539 WeakPolarHBondContact OD1-CE2 3.15Å
533	A	77.8	Confident	82	Confident	70 Å²	70	50.3 Å²	50.3	58%	0.579	26%	0.256	S	S	*	.	H	α-helix	trans	-75.9	-30.7	-177.3	0	0	0	0	0	114.7	D529 Y530 F531	D529-A533 WeakPolarHBondContact O-CB 3.36Å; D529-A533 PolarHBondContact O-N 2.67Å; D529-A533 VanDerWaalsContact O-N 3.12Å; Y530-A533 PolarHBondContact O-N 3.21Å; F531-A533 VanDerWaalsContact C-N 3.26Å; F531-A533 PolarHBondContact O-N 3.42Å
534	H	74.4	Confident	82.3	Confident	118 Å²	118	53.5 Å²	53.5	55%	0.546	28%	0.278	S	S	.	.	H	α-helix	trans	-130.5	-18.6	-167.3	-69.3	10.7	0	0	0	115.3	Y530 F531	Y530-H534 HydrophobicContact CD1-CB 4Å; Y530-H534 AromaticContact CD1-CD2 3.94Å; Y530-H534 HydrophobicContact CE1-CB 3.87Å; Y530-H534 AromaticContact CE1-CD2 3.23Å; Y530-H534 WeakPolarHBondContact CE1-CD2 3.43Å; Y530-H534 AromaticContact CE1-CG 3.76Å; Y530-H534 AromaticContact CZ-CD2 3.49Å; Y530-H534 VanDerWaalsContact CZ-CD2 3.49Å; Y530-H534 PolarHBondContact O-N 3.37Å; F531-H534 PolarHBondContact O-N 2.83Å
535	Y	78.1	Confident	82.4	Confident	48 Å²	48	56.6 Å²	56.6	19%	0.188	30%	0.298	C	S	.	.			trans	-136.7	26.4	-172.1	-62	-73.3	0	0	0	114.7	Y530 F531 S537 I538 N557 I561	Y530-Y535 HydrophobicContact CD1-CD2 4.46Å; Y530-Y535 HydrophobicContact CD1-CE2 4.34Å; Y530-Y535 AromaticContact CE1-CE2 3.96Å; Y530-Y535 HydrophobicContact CE1-CE2 3.96Å; F531-Y535 CarbonylContact O-C 3.56Å; F531-Y535 VanDerWaalsContact O-C 3.26Å; F531-Y535 WeakPolarHBondContact O-CA 3.12Å; F531-Y535 PolarHBondContact O-N 3Å; Y535-S537 PolarHBondContact O-N 2.95Å; Y535-I538 HydrophobicContact CD1-CD1 4.38Å; Y535-I538 HydrophobicContact CG-CD1 4.46Å; Y535-I538 WeakPolarHBondContact O-CB 3.16Å; Y535-I538 PolarHBondContact O-N 3.18Å; Y535-N557 HydrophobicContact CE1-CB 4Å; Y535-N557 HydrophobicContact CE2-CB 4.19Å; Y535-N557 WeakPolarHBondContact OH-CB 3.29Å; Y535-N557 PolarHBondContact OH-OD1 3.33Å; Y535-I561 HydrophobicContact CD2-CD1 3.57Å; Y535-I561 HydrophobicContact CE2-CD1 3.42Å; Y535-I561 VanDerWaalsContact CE2-CD1 3.42Å; Y535-I561 HydrophobicContact CE2-CG1 4.13Å
536	E	81.9	Confident	82.6	Confident	82 Å²	82	57.8 Å²	57.8	38%	0.383	30%	0.302	S	S	.	.	H	α-helix	trans	-51.1	-25.6	176	176.5	60.6	-174.2	0	0	113.9	F531 I538 F539 E540 R543	F531-E536 PolarHBondContact O-N 3.34Å; F531-E536 VanDerWaalsContact O-N 3.11Å; E536-I538 VanDerWaalsContact C-N 3.27Å; E536-I538 PolarHBondContact O-N 3.17Å; E536-F539 WeakPolarHBondContact O-CB 3.36Å; E536-F539 PolarHBondContact O-N 3.46Å; E536-F539 WeakPolarHBondContact OE2-CD2 3.26Å; E536-E540 PolarHBondContact O-N 3.04Å; E536-R543 IonicContact OE1-CZ 3.34Å; E536-R543 IonicContact OE1-NH1 2.72Å; E536-R543 IonicContact OE1-NH2 3.5Å; E536-R543 PolarHBondContact OE1-NH2 3.13Å
537	S	80.9	Confident	83.1	Confident	74 Å²	74	59 Å²	59	52%	0.517	31%	0.307	S	S	.	.	H	α-helix	trans	-63.9	-26.4	173.3	56.5	0	0	0	0	114	Y535 T541	Y535-S537 PolarHBondContact O-N 2.95Å; S537-T541 WeakPolarHBondContact O-CB 3.38Å; S537-T541 PolarHBondContact O-N 3.44Å; S537-T541 PolarHBondContact O-OG1 2.9Å
538	I	82.2	Confident	83.1	Confident	21 Å²	21	60.8 Å²	60.8	11%	0.108	32%	0.317	C	S	.	.	H	α-helix	trans	-71	-45.1	172.4	-61.3	-178	0	0	0	109.5	F531 Y535 E536 T541 I542 P549	F531-I538 HydrophobicContact CE1-CD1 3.98Å; F531-I538 HydrophobicContact CE1-CG2 4.48Å; Y535-I538 HydrophobicContact CD1-CD1 4.38Å; Y535-I538 HydrophobicContact CG-CD1 4.46Å; Y535-I538 WeakPolarHBondContact O-CB 3.16Å; Y535-I538 PolarHBondContact O-N 3.18Å; E536-I538 VanDerWaalsContact C-N 3.27Å; E536-I538 PolarHBondContact O-N 3.17Å; I538-T541 PolarHBondContact O-N 3.25Å; I538-I542 HydrophobicContact CG2-CD1 3.99Å; I538-I542 WeakPolarHBondContact O-CG1 3.3Å; I538-I542 PolarHBondContact O-N 3.42Å; I538-P549 HydrophobicContact CG2-CG 4.48Å
539	F	85.4	Confident	82.5	Confident	1 Å²	1	62 Å²	62	0%	0.004	33%	0.326	C	S	.	.	H	α-helix	trans	-62.9	-44.4	175.1	-70.2	-27.5	0	0	0	112	E498 K499 V502 F531 D532 E536 T541 I542 R543	E498-F539 HydrophobicContact CB-CB 4.27Å; E498-F539 HydrophobicContact CB-CD1 3.73Å; E498-F539 HydrophobicContact CB-CE1 4.49Å; E498-F539 HydrophobicContact CB-CG 4.29Å; E498-F539 HydrophobicContact CG-CB 3.89Å; E498-F539 HydrophobicContact CG-CD1 3.7Å; E498-F539 HydrophobicContact CG-CE1 4.4Å; E498-F539 HydrophobicContact CG-CG 3.88Å; K499-F539 HydrophobicContact CD-CZ 4.47Å; K499-F539 HydrophobicContact CG-CE1 3.99Å; K499-F539 HydrophobicContact CG-CE2 4.21Å; K499-F539 HydrophobicContact CG-CZ 3.71Å; V502-F539 HydrophobicContact CB-CE1 4.15Å; V502-F539 HydrophobicContact CG2-CD1 4.26Å; V502-F539 HydrophobicContact CG2-CE1 3.68Å; F531-F539 HydrophobicContact CB-CE2 3.56Å; F531-F539 HydrophobicContact CB-CZ 3.52Å; F531-F539 HydrophobicContact CD1-CE1 4.17Å; F531-F539 HydrophobicContact CD1-CE2 4.45Å; F531-F539 AromaticContact CD1-CZ 3.96Å; F531-F539 HydrophobicContact CD1-CZ 3.96Å; F531-F539 HydrophobicContact CG-CE2 4.48Å; F531-F539 HydrophobicContact CG-CZ 4.08Å; D532-F539 VanDerWaalsContact OD1-CE2 3.25Å; D532-F539 WeakPolarHBondContact OD1-CE2 3.15Å; E536-F539 WeakPolarHBondContact O-CB 3.36Å; E536-F539 PolarHBondContact O-N 3.46Å; E536-F539 WeakPolarHBondContact OE2-CD2 3.26Å; F539-T541 VanDerWaalsContact C-N 3.34Å; F539-T541 PolarHBondContact O-N 3.4Å; F539-I542 PolarHBondContact O-N 3.35Å; F539-R543 WeakPolarHBondContact O-CB 3.33Å; F539-R543 WeakPolarHBondContact O-CG 3.13Å; F539-R543 PolarHBondContact O-N 2.72Å
540	E	85.2	Confident	82	Confident	112 Å²	112	65.5 Å²	65.5	52%	0.523	34%	0.339	S	S	.	.	H	α-helix	trans	-58.9	-42.9	172.4	-172.5	178.1	-158.6	0	0	111.9	E536 R543 T544	E536-E540 PolarHBondContact O-N 3.04Å; E540-R543 PolarHBondContact O-N 3.31Å; E540-T544 HydrophobicContact CG-CG2 4.21Å; E540-T544 WeakPolarHBondContact O-CB 3.08Å; E540-T544 VanDerWaalsContact O-CG2 3.31Å; E540-T544 WeakPolarHBondContact O-CG2 3.46Å; E540-T544 PolarHBondContact O-N 3.01Å; E540-T544 PolarHBondContact O-OG1 2.86Å
541	T	86	Confident	81	Confident	48 Å²	48	71.1 Å²	71.1	29%	0.294	37%	0.367	S	S	.	.	H	α-helix	trans	-62.5	-44.5	177.1	-59.9	0	0	0	0	111.7	S537 I538 F539 T544 T545 P549	S537-T541 WeakPolarHBondContact O-CB 3.38Å; S537-T541 PolarHBondContact O-N 3.44Å; S537-T541 PolarHBondContact O-OG1 2.9Å; I538-T541 PolarHBondContact O-N 3.25Å; F539-T541 VanDerWaalsContact C-N 3.34Å; F539-T541 PolarHBondContact O-N 3.4Å; T541-T544 PolarHBondContact O-OG1 2.8Å; T541-T545 HydrophobicContact CG2-CG2 4.07Å; T541-T545 WeakPolarHBondContact O-CB 3.47Å; T541-T545 WeakPolarHBondContact O-CG2 3.48Å; T541-T545 PolarHBondContact O-N 2.68Å; T541-T545 PolarHBondContact O-OG1 3.34Å; T541-P549 HydrophobicContact CG2-CB 4.14Å
542	I	87.5	Confident	79.2	Confident	2 Å²	2	75.5 Å²	75.5	1%	0.01	40%	0.4	C	S	.	.	H	α-helix	trans	-65.7	-44.4	178.6	-65.5	163	0	0	0	110.7	I439 A441 E498 V501 V502 I538 F539 K546	I439-I542 HydrophobicContact CD1-CG2 4.27Å; A441-I542 HydrophobicContact CB-CG2 4.15Å; E498-I542 HydrophobicContact CB-CB 4.08Å; E498-I542 HydrophobicContact CB-CD1 4.5Å; E498-I542 HydrophobicContact CB-CG2 3.95Å; V501-I542 HydrophobicContact CB-CD1 4.47Å; V501-I542 HydrophobicContact CG1-CD1 3.91Å; V502-I542 HydrophobicContact CG2-CD1 4.17Å; I538-I542 HydrophobicContact CG2-CD1 3.99Å; I538-I542 WeakPolarHBondContact O-CG1 3.3Å; I538-I542 PolarHBondContact O-N 3.42Å; F539-I542 PolarHBondContact O-N 3.35Å; I542-K546 VanDerWaalsContact O-CA 3.22Å; I542-K546 WeakPolarHBondContact O-CA 3.41Å; I542-K546 PolarHBondContact O-N 3.13Å
543	R	87.3	Confident	77.8	Confident	104 Å²	104	76.1 Å²	76.1	39%	0.392	41%	0.406	S	S	.	.	H	α-helix	trans	-60.2	-47.5	176.7	-75.8	-170	-67.6	-108.6	5.3	112.5	E498 E536 F539 E540	E498-R543 HydrophobicContact CB-CG 4.49Å; E498-R543 HydrophobicContact CG-CG 4.34Å; E498-R543 WeakPolarHBondContact OE1-CD 3.41Å; E498-R543 WeakPolarHBondContact OE1-CG 3.21Å; E498-R543 IonicContact OE1-CZ 3.33Å; E498-R543 IonicContact OE1-NE 2.72Å; E498-R543 IonicContact OE1-NH1 3.16Å; E498-R543 PolarHBondContact OE1-NH1 3.34Å; E536-R543 IonicContact OE1-CZ 3.34Å; E536-R543 IonicContact OE1-NH1 2.72Å; E536-R543 IonicContact OE1-NH2 3.5Å; E536-R543 PolarHBondContact OE1-NH2 3.13Å; F539-R543 WeakPolarHBondContact O-CB 3.33Å; F539-R543 WeakPolarHBondContact O-CG 3.13Å; F539-R543 PolarHBondContact O-N 2.72Å; E540-R543 PolarHBondContact O-N 3.31Å
544	T	86.8	Confident	76.3	Confident	98 Å²	98	73.9 Å²	73.9	60%	0.601	39%	0.387	S	S	*	.	H	α-helix	trans	-78.5	-46.2	-172.6	54.1	0	0	0	0	113.1	E540 T541	E540-T544 HydrophobicContact CG-CG2 4.21Å; E540-T544 WeakPolarHBondContact O-CB 3.08Å; E540-T544 VanDerWaalsContact O-CG2 3.31Å; E540-T544 WeakPolarHBondContact O-CG2 3.46Å; E540-T544 PolarHBondContact O-N 3.01Å; E540-T544 PolarHBondContact O-OG1 2.86Å; T541-T544 PolarHBondContact O-OG1 2.8Å
545	T	88.2	Confident	75.1	Confident	74 Å²	74	71.3 Å²	71.3	45%	0.454	38%	0.38	S	S	.	.	H	α-helix	trans	-85	-20.9	-176.9	70.6	0	0	0	0	113.4	T541 D547	T541-T545 HydrophobicContact CG2-CG2 4.07Å; T541-T545 WeakPolarHBondContact O-CB 3.47Å; T541-T545 WeakPolarHBondContact O-CG2 3.48Å; T541-T545 PolarHBondContact O-N 2.68Å; T541-T545 PolarHBondContact O-OG1 3.34Å; T545-D547 PolarHBondContact O-N 3.5Å; T545-D547 PolarHBondContact OG1-N 2.72Å; T545-D547 VanDerWaalsContact OG1-N 3.15Å; T545-D547 PolarHBondContact OG1-O 3.41Å
546	K	88.1	Confident	73.7	Confident	123 Å²	123	76 Å²	76	54%	0.535	41%	0.409	S	S	.	.	S	Bend	trans	60.6	18.1	-170.4	-54	-173.9	-178.5	-175.2	0	113.5	I439 K440 A441 I542	I439-K546 HydrophobicContact CB-CB 4.12Å; I439-K546 HydrophobicContact CG2-CB 4.16Å; I439-K546 HydrophobicContact CG2-CD 4.31Å; I439-K546 HydrophobicContact CG2-CG 4.39Å; K440-K546 WeakPolarHBondContact CA-O 3.48Å; K440-K546 WeakPolarHBondContact CB-O 3.3Å; K440-K546 PolarHBondContact N-O 3.36Å; A441-K546 PolarHBondContact N-O 2.8Å; A441-K546 VanDerWaalsContact N-O 3.09Å; I542-K546 VanDerWaalsContact O-CA 3.22Å; I542-K546 WeakPolarHBondContact O-CA 3.41Å; I542-K546 PolarHBondContact O-N 3.13Å
547	D	88.6	Confident	72.3	Confident	29 Å²	29	75 Å²	75	16%	0.155	41%	0.406	C	S	.	.	S	Bend	trans	-134.7	173.3	-178.4	-146.9	-24.8	0	0	0	110.4	K440 K444 T545	K440-D547 HydrophobicContact CB-CB 4.17Å; K440-D547 HydrophobicContact CD-CB 4.19Å; K440-D547 WeakPolarHBondContact CD-OD2 3.43Å; K440-D547 IonicContact NZ-OD2 3.89Å; K444-D547 VanDerWaalsContact CE-OD1 3.23Å; K444-D547 WeakPolarHBondContact CE-OD1 3.41Å; K444-D547 IonicContact NZ-OD1 3.81Å; K444-D547 PolarHBondContact NZ-OD1 2.59Å; K444-D547 IonicContact NZ-OD2 3.6Å; T545-D547 PolarHBondContact O-N 3.5Å; T545-D547 PolarHBondContact OG1-N 2.72Å; T545-D547 VanDerWaalsContact OG1-N 3.15Å; T545-D547 PolarHBondContact OG1-O 3.41Å
548	L	81.6	Confident	70.9	Confident	40 Å²	40	72 Å²	72	21%	0.209	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-80.9	148.1	174.8	-66.9	173.7	0	0	0	111.4	A441 K444 V445 V501 Y505	A441-L548 HydrophobicContact CB-CD2 4.13Å; A441-L548 HydrophobicContact CB-CG 4.17Å; K444-L548 HydrophobicContact CB-CD1 4.1Å; K444-L548 HydrophobicContact CD-CD1 3.97Å; K444-L548 HydrophobicContact CD-CG 4.36Å; V445-L548 HydrophobicContact CG1-CD1 4.24Å; V501-L548 HydrophobicContact CG1-CD2 3.58Å; Y505-L548 HydrophobicContact CD2-CD1 4.16Å; Y505-L548 HydrophobicContact CE2-CD1 4.26Å
549	P	74.7	Confident	69.3	Low	37 Å²	37	77.1 Å²	77.1	24%	0.24	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-61.9	161.8	167.3	27.7	-34.8	0	0	0	112	I538 T541	I538-P549 HydrophobicContact CG2-CG 4.48Å; T541-P549 HydrophobicContact CG2-CB 4.14Å
550	E	68.7	Low	67.6	Low	167 Å²	167	82.8 Å²	82.8	78%	0.78	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-67.6	145.6	175	-65.4	-168.6	157.8	0	0	111.7	S552	E550-S552 PolarHBondContact O-N 3.47Å
551	E	56	Low	65.9	Low	161 Å²	161	77.4 Å²	77.4	75%	0.752	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-13	-162.3	-63	178.1	128.4	0	0	116	T553 T555	E551-T553 VanDerWaalsContact C-N 3.28Å; E551-T553 PolarHBondContact O-N 3.34Å; E551-T555 PolarHBondContact O-OG1 3.46Å
552	S	45	Very low	64.1	Low	107 Å²	107	75.7 Å²	75.7	75%	0.748	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	1.8	-170.8	58.5	0	0	0	0	115.9	E550	E550-S552 PolarHBondContact O-N 3.47Å
553	T	48.9	Very low	62.1	Low	82 Å²	82	79.7 Å²	79.7	50%	0.503	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.6	-18	-173.7	49.1	0	0	0	0	116.4	E551 N557	E551-T553 VanDerWaalsContact C-N 3.28Å; E551-T553 PolarHBondContact O-N 3.34Å; T553-N557 PolarHBondContact O-ND2 3.3Å
554	A	47.3	Very low	60	Low	23 Å²	23	80.6 Å²	80.6	19%	0.19	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-32.3	-172.8	0	0	0	0	0	114.3
555	T	49.2	Very low	57.8	Low	64 Å²	64	79 Å²	79	39%	0.393	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-41.5	-158.6	-28.9	0	0	0	0	114.4	F511 E551	F511-T555 HydrophobicContact CZ-CG2 3.95Å; E551-T555 PolarHBondContact O-OG1 3.46Å
556	D	48.7	Very low	55.5	Low	147 Å²	147	79.9 Å²	79.9	79%	0.786	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-20.1	-171.2	-67.8	-30.4	0	0	0	113.9
557	N	53.1	Low	53	Low	61 Å²	61	79 Å²	79	33%	0.326	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-42.2	-176.9	-70.2	-57.4	0	0	0	112.1	Y535 T553 K559 N560 I561	Y535-N557 HydrophobicContact CE1-CB 4Å; Y535-N557 HydrophobicContact CE2-CB 4.19Å; Y535-N557 WeakPolarHBondContact OH-CB 3.29Å; Y535-N557 PolarHBondContact OH-OD1 3.33Å; T553-N557 PolarHBondContact O-ND2 3.3Å; N557-K559 VanDerWaalsContact C-N 3.26Å; N557-K559 PolarHBondContact O-N 3.04Å; N557-N560 PolarHBondContact O-N 3.08Å; N557-I561 WeakPolarHBondContact O-CG1 3.44Å
558	A	51.2	Low	50.3	Low	11 Å²	11	85.9 Å²	85.9	9%	0.091	48%	0.476	C	S	.	.	H	α-helix	trans	-57.5	-27.3	-162.5	0	0	0	0	0	115.9	F511 I562	F511-A558 HydrophobicContact CD2-CB 4.45Å; A558-I562 WeakPolarHBondContact O-CD1 3.44Å; A558-I562 WeakPolarHBondContact O-CG1 3.5Å
559	K	47.5	Very low	47.9	Very low	129 Å²	129	94.4 Å²	94.4	56%	0.561	51%	0.507	S	S	*	.	H	α-helix	trans	-74.4	-22.9	-178.9	-91.5	-156.7	165.5	-161.6	0	115.4	D514 N557	D514-K559 IonicContact OD2-NZ 2.7Å; D514-K559 PolarHBondContact OD2-NZ 3.46Å; N557-K559 VanDerWaalsContact C-N 3.26Å; N557-K559 PolarHBondContact O-N 3.04Å
560	N	50.5	Low	45.8	Very low	119 Å²	119	99.3 Å²	99.3	64%	0.636	53%	0.531	S	S	*	.	H	α-helix	trans	-87.4	-17.4	-178.8	-61.1	-47.1	0	0	0	113.2	N557	N557-N560 PolarHBondContact O-N 3.08Å
561	I	49	Very low	43.8	Very low	0 Å²	0	101.7 Å²	101.7	0%	0	53%	0.533	C	S	.	.	H	α-helix	trans	-67.8	-42.9	-170.4	-65.7	-166.9	0	0	0	112.1	L527 Y530 F531 Y535 N557	L527-I561 HydrophobicContact CD1-CG2 4.33Å; Y530-I561 VanDerWaalsContact CB-CG2 3.47Å; Y530-I561 HydrophobicContact CD1-CB 3.82Å; Y530-I561 HydrophobicContact CD1-CD1 4Å; Y530-I561 HydrophobicContact CD1-CG1 3.66Å; Y530-I561 HydrophobicContact CD1-CG2 3.5Å; Y530-I561 VanDerWaalsContact CD1-CG2 3.5Å; Y530-I561 HydrophobicContact CD2-CB 4.39Å; Y530-I561 HydrophobicContact CD2-CG2 4.19Å; Y530-I561 WeakPolarHBondContact CD2-O 3.28Å; Y530-I561 HydrophobicContact CE1-CB 4.04Å; Y530-I561 HydrophobicContact CE1-CD1 4.12Å; Y530-I561 HydrophobicContact CE1-CG1 3.54Å; Y530-I561 HydrophobicContact CE1-CG2 4.23Å; Y530-I561 HydrophobicContact CG-CB 4Å; Y530-I561 HydrophobicContact CG-CG1 4.36Å; Y530-I561 HydrophobicContact CG-CG2 3.46Å; Y530-I561 VanDerWaalsContact CG-CG2 3.46Å; F531-I561 HydrophobicContact CD2-CD1 3.82Å; F531-I561 HydrophobicContact CD2-CG2 3.94Å; F531-I561 HydrophobicContact CE2-CD1 3.45Å; F531-I561 VanDerWaalsContact CE2-CD1 3.45Å; F531-I561 HydrophobicContact CE2-CG2 4.16Å; F531-I561 HydrophobicContact CZ-CD1 4.22Å; Y535-I561 HydrophobicContact CD2-CD1 3.57Å; Y535-I561 HydrophobicContact CE2-CD1 3.42Å; Y535-I561 VanDerWaalsContact CE2-CD1 3.42Å; Y535-I561 HydrophobicContact CE2-CG1 4.13Å; N557-I561 WeakPolarHBondContact O-CG1 3.44Å
562	I	48.1	Very low	43.1	Very low	12 Å²	12	99.5 Å²	99.5	6%	0.062	54%	0.543	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	2.9	-153.7	-29.8	168.9	0	0	0	112	F523 A526 L527 A558	F523-I562 HydrophobicContact CB-CG2 4.35Å; F523-I562 HydrophobicContact CD1-CD1 4.45Å; F523-I562 HydrophobicContact CD1-CG2 3.61Å; F523-I562 HydrophobicContact CD2-CB 3.98Å; F523-I562 HydrophobicContact CD2-CG2 3.44Å; F523-I562 VanDerWaalsContact CD2-CG2 3.44Å; F523-I562 HydrophobicContact CE1-CB 4.16Å; F523-I562 HydrophobicContact CE1-CD1 3.45Å; F523-I562 VanDerWaalsContact CE1-CD1 3.45Å; F523-I562 HydrophobicContact CE1-CG1 4.34Å; F523-I562 HydrophobicContact CE1-CG2 3.66Å; F523-I562 HydrophobicContact CE2-CB 3.56Å; F523-I562 HydrophobicContact CE2-CD1 4.09Å; F523-I562 HydrophobicContact CE2-CG1 4.39Å; F523-I562 HydrophobicContact CE2-CG2 3.52Å; F523-I562 HydrophobicContact CG-CB 4.47Å; F523-I562 HydrophobicContact CG-CG2 3.51Å; F523-I562 HydrophobicContact CZ-CB 3.69Å; F523-I562 HydrophobicContact CZ-CD1 3.26Å; F523-I562 HydrophobicContact CZ-CG1 4.02Å; F523-I562 HydrophobicContact CZ-CG2 3.65Å; F523-I562 WeakPolarHBondContact O-CG2 3.24Å; A526-I562 HydrophobicContact CB-CG2 3.99Å; L527-I562 HydrophobicContact CB-CD1 4.45Å; L527-I562 HydrophobicContact CB-CG1 4.44Å; L527-I562 HydrophobicContact CB-CG2 3.96Å; L527-I562 HydrophobicContact CD1-CD1 3.7Å; L527-I562 HydrophobicContact CD1-CG1 4.01Å; A558-I562 WeakPolarHBondContact O-CD1 3.44Å; A558-I562 WeakPolarHBondContact O-CG1 3.5Å
563	A	46	Very low	42.6	Very low	85 Å²	85	105.7 Å²	105.7	70%	0.702	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-11.5	177.3	0	0	0	0	0	113.7
564	D	43.3	Very low	41.8	Very low	124 Å²	124	109.9 Å²	109.9	66%	0.663	56%	0.563	S	S	*	*	S	Bend	trans	-102.8	-19.2	-160.4	-141.8	35.9	0	0	0	114.4
565	L	40.7	Very low	41.3	Very low	64 Å²	64	112.7 Å²	112.7	34%	0.335	59%	0.587	S	S	.	*			trans	-107.9	-1.8	-160.3	-99.1	148.7	0	0	0	116.7	A526 D529 Y530 T567	A526-L565 HydrophobicContact CB-CB 3.42Å; A526-L565 VanDerWaalsContact CB-CB 3.42Å; A526-L565 VanDerWaalsContact O-CD1 3.28Å; A526-L565 WeakPolarHBondContact O-CD1 3.16Å; D529-L565 HydrophobicContact CB-CD1 3.87Å; D529-L565 HydrophobicContact CB-CD2 3.95Å; Y530-L565 HydrophobicContact CD2-CD1 4.34Å; L565-T567 PolarHBondContact O-N 3.21Å
566	T	38.8	Very low	40.6	Very low	93 Å²	93	115.8 Å²	115.8	57%	0.571	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	26.4	-171.8	-28.8	0	0	0	0	115.8	A522	A522-T566 HydrophobicContact CB-CG2 4.02Å
567	T	36.6	Very low	39.9	Very low	103 Å²	103	113.8 Å²	113.8	63%	0.632	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.5	-20.8	-149.2	-49.6	0	0	0	0	118.1	L565	L565-T567 PolarHBondContact O-N 3.21Å
568	Q	31.3	Very low	38.9	Very low	175 Å²	175	114.3 Å²	114.3	82%	0.818	60%	0.599	S	S	*	*			trans	-154.1	109.4	-166.9	-53.6	-179.1	23.4	0	0	118.9
569	Y	31.6	Very low	37.9	Very low	219 Å²	219	117.6 Å²	117.6	86%	0.859	62%	0.615	S	S	*	*			trans	-174	156.3	157.7	-137.7	-104.3	0	0	0	119.7
570	N	31.2	Very low	36.9	Very low	140 Å²	140	116.5 Å²	116.5	75%	0.749	61%	0.612	S	S	*	*			trans	128	142.8	145.6	-70.1	-66.6	0	0	0	125.7
571	R	26.7	Very low	35.6	Very low	217 Å²	217	118.2 Å²	118.2	82%	0.819	62%	0.619	S	S	*	*			trans	119.1	0	150.4	-60.2	-166.7	170.2	175.7	-0.9	125.6
572	A	39.9	Very low	34.3	Very low	115 Å²	115	122.3 Å²	122.3	95%	0.95	64%	0.64	S	S	*	*				0	0	0	0	0	0	0	0	124.9
573	R	35.2	Very low	32.8	Very low	237 Å²	237	129 Å²	129	89%	0.894	67%	0.671	S	S	*	*				0	0	0	-167	-170.9	-166.4	176	3.7	125.8
574	Q	32	Very low	31.9	Very low	170 Å²	170	130.7 Å²	130.7	79%	0.794	67%	0.667	S	S	*	*				0	0	0	-138.1	65	4	0	0	126.2
575	A	36.2	Very low	31.9	Very low	82 Å²	82	129.3 Å²	129.3	68%	0.678	66%	0.664	S	S	*	*				0	0	0	0	0	0	0	0	124.8
576	T	34.6	Very low	33.2	Very low	129 Å²	129	129.1 Å²	129.1	79%	0.791	67%	0.671	S	S	*	*				0	0	0	-46.8	0	0	0	0	119.6
577	I	34	Very low	35.4	Very low	105 Å²	105	125.8 Å²	125.8	54%	0.538	66%	0.655	S	S	.	*				0	0	0	-12.9	-179.4	0	0	0	130.6	K876	I577-K876 CarbonylContact C-O 3.31Å; I577-K876 WeakPolarHBondContact CA-O 3.33Å; I577-K876 HydrophobicContact CB-CB 4.18Å; I577-K876 VanDerWaalsContact CB-O 3.27Å; I577-K876 WeakPolarHBondContact CB-O 3.37Å; I577-K876 HydrophobicContact CD1-CB 4Å; I577-K876 HydrophobicContact CD1-CD 3.71Å; I577-K876 HydrophobicContact CD1-CG 3.86Å; I577-K876 HydrophobicContact CG1-CB 3.82Å; I577-K876 HydrophobicContact CG1-CD 4.43Å; I577-K876 HydrophobicContact CG1-CG 4.06Å; I577-K876 PolarHBondContact N-O 3.32Å
578	T	31.9	Very low	37.8	Very low	71 Å²	71	125 Å²	125	44%	0.436	64%	0.643	S	S	.	*				0	0	0	38.4	0	0	0	0	134.3	D821 K876 K877	T578-D821 CarbonylContact C-O 3.48Å; T578-K876 PolarHBondContact N-O 2.59Å; T578-K877 VanDerWaalsContact C-CG 3.42Å; T578-K877 WeakPolarHBondContact O-CB 3.49Å
579	N	31.2	Very low	40.6	Very low	81 Å²	81	117.1 Å²	117.1	43%	0.433	61%	0.607	S	S	.	*				0	0	0	41.8	-103.6	0	0	0	128.9	D821 K877	N579-D821 CarbonylContact C-O 3.02Å; N579-D821 WeakPolarHBondContact CA-O 3.46Å; N579-D821 PolarHBondContact N-O 2.92Å; N579-K877 PolarHBondContact O-NZ 2.71Å
580	E	26.9	Very low	43.4	Very low	106 Å²	106	108.1 Å²	108.1	50%	0.495	58%	0.577	S	S	.	*				0	0	0	-84.2	46.2	-75	0	0	129.6	K877	E580-K877 IonicContact OE2-NZ 3.61Å; E580-K877 PolarHBondContact OE2-NZ 2.91Å
581	I	23.2	Very low	46.2	Very low	154 Å²	154	104.8 Å²	104.8	79%	0.79	56%	0.557	S	S	*	*				0	0	0	-16.3	178.5	0	0	0	129.3
582	I	20.9	Very low	49.2	Very low	86 Å²	86	96.6 Å²	96.6	44%	0.441	53%	0.531	S	S	.	.				0	0	0	-41.4	146.7	0	0	0	128	R695	I582-R695 WeakPolarHBondContact CD1-O 3.39Å; I582-R695 WeakPolarHBondContact CG1-O 3.45Å
583	E	16.8	Very low	51.4	Low	152 Å²	152	94.7 Å²	94.7	71%	0.71	51%	0.507	S	S	*	.				0	0	0	-133.6	-166.6	137.3	0	0	129.4	R661	E583-R661 WeakPolarHBondContact O-CD 3.35Å; E583-R661 PolarHBondContact O-NH1 3.47Å
584	I	26.6	Very low	53.8	Low	121 Å²	121	85.6 Å²	85.6	62%	0.621	49%	0.487	S	S	*	.				0	0	0	-31.7	166.8	0	0	0	127.3	T659 G660	I584-T659 CarbonylContact C-O 3.52Å; I584-T659 WeakPolarHBondContact CA-O 3.42Å; I584-G660 VanDerWaalsContact C-CA 3.48Å; I584-G660 CarbonylContact O-C 3.56Å; I584-G660 VanDerWaalsContact O-C 3.23Å; I584-G660 WeakPolarHBondContact O-CA 3.5Å
585	V	44.4	Very low	56.5	Low	96 Å²	96	78.5 Å²	78.5	58%	0.582	46%	0.456	S	S	*	.				0	0	0	166.1	0	0	0	0	137.9	D658 T659	V585-D658 CarbonylContact C-O 3.39Å; V585-D658 VanDerWaalsContact C-O 3.31Å; V585-D658 VanDerWaalsContact CA-O 3.24Å; V585-D658 WeakPolarHBondContact CA-O 3.16Å; V585-D658 WeakPolarHBondContact CB-O 3.36Å; V585-D658 VanDerWaalsContact CG1-O 3.32Å; V585-D658 WeakPolarHBondContact CG1-O 3.44Å; V585-T659 WeakPolarHBondContact CA-O 3.12Å; V585-T659 PolarHBondContact N-O 2.73Å
586	A	66.8	Low	59	Low	59 Å²	59	74.9 Å²	74.9	49%	0.488	43%	0.426	S	S	.	.				0	0	0	0	0	0	0	0	128.3	D658	A586-D658 WeakPolarHBondContact CA-O 3.44Å; A586-D658 PolarHBondContact N-O 2.82Å; A586-D658 WeakPolarHBondContact O-CB 3.5Å
587	G	84.9	Confident	61.7	Low	24 Å²	24	68.7 Å²	68.7	25%	0.247	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)		0	0	0	0	0	0	0	0	132.4	V656	G587-V656 CarbonylContact C-O 3.57Å; G587-V656 WeakPolarHBondContact CA-O 3.37Å; G587-V656 PolarHBondContact N-O 2.93Å; G587-V656 CarbonylContact O-C 3.37Å
588	K	88.5	Confident	64.5	Low	87 Å²	87	64.2 Å²	64.2	38%	0.378	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)		0	0	0	-125.4	-179.7	-162.9	176.5	0	127.3	V599 A600 E655 V656	K588-V599 VanDerWaalsContact C-CG1 3.49Å; K588-V599 CarbonylContact O-C 3.45Å; K588-V599 VanDerWaalsContact O-C 3.27Å; K588-V599 VanDerWaalsContact O-CA 3.3Å; K588-V599 WeakPolarHBondContact O-CA 3.44Å; K588-V599 WeakPolarHBondContact O-CG1 3.46Å; K588-A600 WeakPolarHBondContact CB-O 3.24Å; K588-A600 CarbonylContact O-C 3.57Å; K588-A600 PolarHBondContact O-N 3.1Å; K588-E655 HydrophobicContact CD-CG 4.25Å; K588-E655 WeakPolarHBondContact CE-OE1 3.47Å; K588-E655 HydrophobicContact CG-CG 4.02Å; K588-E655 IonicContact NZ-OE1 3.45Å; K588-E655 PolarHBondContact NZ-OE1 2.81Å; K588-V656 VanDerWaalsContact C-CG2 3.46Å
589	I	90.2	Very high	67.3	Low	9 Å²	9	60.9 Å²	60.9	5%	0.046	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)		0	140.1	0	-62.6	-163.2	0	0	0	121.3	V597 V616 L650 G653 L654 V656	I589-V597 HydrophobicContact CD1-CG1 3.9Å; I589-V597 HydrophobicContact CG1-CG1 4.24Å; I589-V597 HydrophobicContact CG2-CG1 4.26Å; I589-V616 HydrophobicContact CD1-CG1 3.8Å; I589-V616 HydrophobicContact CD1-CG2 4.17Å; I589-V616 HydrophobicContact CG1-CG1 4.36Å; I589-L650 HydrophobicContact CD1-CD1 4.19Å; I589-L650 HydrophobicContact CD1-CD2 4.01Å; I589-G653 PolarHBondContact O-N 3.06Å; I589-G653 VanDerWaalsContact O-N 3.14Å; I589-L654 HydrophobicContact CB-CB 4.5Å; I589-L654 HydrophobicContact CD1-CB 4.21Å; I589-L654 HydrophobicContact CG1-CB 4.37Å; I589-L654 PolarHBondContact N-O 3.19Å; I589-V656 HydrophobicContact CB-CG2 4.22Å; I589-V656 HydrophobicContact CD1-CG2 4.25Å; I589-V656 HydrophobicContact CG1-CG2 3.27Å
590	A	89.9	Confident	70	Confident	29 Å²	29	58.7 Å²	58.7	24%	0.24	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	-45.2	170	0	0	0	0	0	120	D598 A600 L638 R652	A590-D598 CarbonylContact C-O 3.57Å; A590-D598 WeakPolarHBondContact CA-O 3.34Å; A590-D598 PolarHBondContact N-O 3.1Å; A590-A600 HydrophobicContact CB-CB 3.76Å; A590-L638 HydrophobicContact CB-CD2 3.6Å; A590-R652 VanDerWaalsContact O-CD 3.3Å; A590-R652 WeakPolarHBondContact O-CD 3.21Å; A590-R652 VanDerWaalsContact O-CG 3.26Å; A590-R652 WeakPolarHBondContact O-CG 3.48Å
591	Q	90.1	Very high	72.8	Confident	71 Å²	71	54.5 Å²	54.5	33%	0.332	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	154.3	-177.5	167.9	164.9	-42.1	0	0	112.1	V593 V597 D598	Q591-V593 HydrophobicContact CG-CG2 4.03Å; Q591-V593 VanDerWaalsContact NE2-CG2 3.28Å; Q591-V597 CarbonylContact O-C 3.58Å; Q591-V597 WeakPolarHBondContact O-CA 3.4Å; Q591-D598 HydrophobicContact CB-CB 4.23Å; Q591-D598 PolarHBondContact N-O 2.94Å; Q591-D598 PolarHBondContact O-N 3.45Å
592	V	89.1	Confident	75.2	Confident	45 Å²	45	49.9 Å²	49.9	27%	0.273	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	133.8	175.6	-177.3	0	0	0	0	109.2	G594 V596 V597 T647 L650	V592-G594 WeakPolarHBondContact CG1-O 3.17Å; V592-V596 CarbonylContact C-O 3.58Å; V592-V596 WeakPolarHBondContact CA-O 3.48Å; V592-V597 HydrophobicContact CG1-CG2 4.33Å; V592-V597 HydrophobicContact CG2-CG1 4.29Å; V592-V597 HydrophobicContact CG2-CG2 4.27Å; V592-T647 HydrophobicContact CG1-CG2 4.34Å; V592-L650 HydrophobicContact CG2-CB 4.06Å
593	V	87	Confident	77.3	Confident	74 Å²	74	51.3 Å²	51.3	45%	0.448	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	90.1	177.6	-174.9	0	0	0	0	109	Q591 V596	Q591-V593 HydrophobicContact CG-CG2 4.03Å; Q591-V593 VanDerWaalsContact NE2-CG2 3.28Å; V593-V596 PolarHBondContact N-O 3.31Å; V593-V596 PolarHBondContact O-N 2.58Å; V593-V596 VanDerWaalsContact O-N 3.13Å
594	G	85.5	Confident	79.4	Confident	46 Å²	46	48.1 Å²	48.1	47%	0.474	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	-132.7	-167.4	0	0	0	0	0	109.8	V592 V596 T647	V592-G594 WeakPolarHBondContact CG1-O 3.17Å; G594-V596 PolarHBondContact O-N 3.02Å; G594-T647 PolarHBondContact O-OG1 3.36Å; G594-T647 VanDerWaalsContact O-OG1 3.11Å
595	P	88.5	Confident	81.4	Confident	22 Å²	22	47.8 Å²	47.8	14%	0.143	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-2.8	179.2	37.6	-38.9	0	0	0	113.6	A643 P801 P802 L847	P595-A643 WeakPolarHBondContact O-CB 3.47Å; P595-A643 PolarHBondContact O-N 2.85Å; P595-P801 HydrophobicContact CB-CB 3.94Å; P595-P802 HydrophobicContact CG-CG 4.07Å; P595-L847 HydrophobicContact CG-CD1 3.64Å
596	V	89.3	Confident	82.7	Confident	5 Å²	5	50.6 Å²	50.6	3%	0.03	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	128.4	175.2	174.8	0	0	0	0	109.3	V592 V593 G594 R640 T641 L847	V592-V596 CarbonylContact C-O 3.58Å; V592-V596 WeakPolarHBondContact CA-O 3.48Å; V593-V596 PolarHBondContact N-O 3.31Å; V593-V596 PolarHBondContact O-N 2.58Å; V593-V596 VanDerWaalsContact O-N 3.13Å; G594-V596 PolarHBondContact O-N 3.02Å; V596-R640 HydrophobicContact CG1-CG 3.67Å; V596-T641 WeakPolarHBondContact CA-O 3.43Å; V596-L847 HydrophobicContact CG2-CB 3.75Å
597	V	91.1	Very high	83.4	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	118.5	178.9	-177.5	0	0	0	0	108.5	I589 Q591 V592 V599 L628 T641 T647 L650	I589-V597 HydrophobicContact CD1-CG1 3.9Å; I589-V597 HydrophobicContact CG1-CG1 4.24Å; I589-V597 HydrophobicContact CG2-CG1 4.26Å; Q591-V597 CarbonylContact O-C 3.58Å; Q591-V597 WeakPolarHBondContact O-CA 3.4Å; V592-V597 HydrophobicContact CG1-CG2 4.33Å; V592-V597 HydrophobicContact CG2-CG1 4.29Å; V592-V597 HydrophobicContact CG2-CG2 4.27Å; V597-V599 HydrophobicContact CG1-CG2 3.93Å; V597-L628 HydrophobicContact CB-CD1 4.1Å; V597-L628 HydrophobicContact CB-CD2 4.13Å; V597-L628 HydrophobicContact CG1-CD1 3.94Å; V597-L628 HydrophobicContact CG2-CD2 3.87Å; V597-T641 PolarHBondContact N-O 2.95Å; V597-T641 WeakPolarHBondContact O-CA 3.23Å; V597-T641 WeakPolarHBondContact O-CB 3.28Å; V597-T641 PolarHBondContact O-N 3.06Å; V597-T641 PolarHBondContact O-OG1 3Å; V597-T647 HydrophobicContact CG2-CG2 3.78Å; V597-L650 HydrophobicContact CG2-CD1 3.87Å
598	D	92	Very high	83.3	Confident	11 Å²	11	47.8 Å²	47.8	6%	0.059	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	129.3	173.3	-59	-29.9	0	0	0	108.7	A590 Q591 L634 L638 V639 R640	A590-D598 CarbonylContact C-O 3.57Å; A590-D598 WeakPolarHBondContact CA-O 3.34Å; A590-D598 PolarHBondContact N-O 3.1Å; Q591-D598 HydrophobicContact CB-CB 4.23Å; Q591-D598 PolarHBondContact N-O 2.94Å; Q591-D598 PolarHBondContact O-N 3.45Å; D598-L634 HydrophobicContact CB-CD1 4.36Å; D598-L638 HydrophobicContact CB-CD2 4.46Å; D598-V639 CarbonylContact C-O 3.52Å; D598-V639 WeakPolarHBondContact CA-O 3.09Å; D598-R640 WeakPolarHBondContact OD1-CG 3.45Å; D598-R640 IonicContact OD1-CZ 3.56Å; D598-R640 IonicContact OD1-NE 2.69Å; D598-R640 PolarHBondContact OD1-NE 2.89Å; D598-R640 IonicContact OD1-NH2 2.81Å; D598-R640 PolarHBondContact OD1-NH2 2.9Å; D598-R640 IonicContact OD2-CZ 3.79Å; D598-R640 IonicContact OD2-NE 3.63Å; D598-R640 IonicContact OD2-NH2 2.69Å; D598-R640 PolarHBondContact OD2-NH2 3.43Å
599	V	90.1	Very high	83	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	119	-164.7	173.6	0	0	0	0	107.1	K588 V597 F601 L614 L628 L638 V639 T641 V656	K588-V599 VanDerWaalsContact C-CG1 3.49Å; K588-V599 CarbonylContact O-C 3.45Å; K588-V599 VanDerWaalsContact O-C 3.27Å; K588-V599 VanDerWaalsContact O-CA 3.3Å; K588-V599 WeakPolarHBondContact O-CA 3.44Å; K588-V599 WeakPolarHBondContact O-CG1 3.46Å; V597-V599 HydrophobicContact CG1-CG2 3.93Å; V599-F601 HydrophobicContact CB-CE2 4.31Å; V599-F601 HydrophobicContact CG1-CD2 4.24Å; V599-F601 HydrophobicContact CG1-CE2 3.38Å; V599-F601 HydrophobicContact CG1-CZ 3.91Å; V599-L614 HydrophobicContact CB-CD1 4.46Å; V599-L614 HydrophobicContact CG1-CD1 3.81Å; V599-L614 HydrophobicContact CG2-CD1 4.4Å; V599-L628 HydrophobicContact CG2-CD1 3.94Å; V599-L638 WeakPolarHBondContact O-CA 3.43Å; V599-V639 HydrophobicContact CB-CG2 3.8Å; V599-V639 HydrophobicContact CG1-CG2 4.15Å; V599-V639 PolarHBondContact N-O 3.34Å; V599-V639 PolarHBondContact O-N 3.36Å; V599-T641 HydrophobicContact CB-CG2 4.21Å; V599-T641 HydrophobicContact CG2-CG2 3.76Å; V599-V656 HydrophobicContact CG1-CG1 4.39Å; V599-V656 HydrophobicContact CG1-CG2 4.4Å
600	A	88.6	Confident	82.8	Confident	35 Å²	35	45.8 Å²	45.8	29%	0.289	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	127.5	-177.1	0	0	0	0	0	111.1	K588 A590 L638	K588-A600 WeakPolarHBondContact CB-O 3.24Å; K588-A600 CarbonylContact O-C 3.57Å; K588-A600 PolarHBondContact O-N 3.1Å; A590-A600 HydrophobicContact CB-CB 3.76Å; A600-L638 HydrophobicContact CB-CD2 3.72Å; A600-L638 HydrophobicContact CB-CG 4.33Å
601	F	84.8	Confident	82.7	Confident	19 Å²	19	46.7 Å²	46.7	8%	0.083	30%	0.299	C	S	.	.			trans	-97.2	163.1	175.5	-66.9	-111.8	0	0	0	109.7	V599 L607 P608 L614 G637 V639	V599-F601 HydrophobicContact CB-CE2 4.31Å; V599-F601 HydrophobicContact CG1-CD2 4.24Å; V599-F601 HydrophobicContact CG1-CE2 3.38Å; V599-F601 HydrophobicContact CG1-CZ 3.91Å; F601-L607 HydrophobicContact CB-CD2 3.65Å; F601-L607 HydrophobicContact CD1-CD2 4.47Å; F601-L607 HydrophobicContact CD2-CD2 3.56Å; F601-L607 HydrophobicContact CE2-CD2 4.42Å; F601-L607 HydrophobicContact CG-CD2 3.65Å; F601-P608 VanDerWaalsContact CE1-CD 3.4Å; F601-P608 HydrophobicContact CE1-CG 3.59Å; F601-P608 HydrophobicContact CE2-CG 4.08Å; F601-P608 HydrophobicContact CZ-CG 3.29Å; F601-L614 HydrophobicContact CZ-CD1 4.37Å; F601-G637 PolarHBondContact N-O 2.99Å; F601-G637 VanDerWaalsContact N-O 3.11Å; F601-V639 HydrophobicContact CD2-CG2 4.47Å; F601-V639 HydrophobicContact CE2-CG2 3.74Å
602	A	75.2	Confident	82.6	Confident	57 Å²	57	43.8 Å²	43.8	47%	0.471	29%	0.286	S	S	.	.			trans	-72.3	141.6	175.9	0	0	0	0	0	110.2	G604 E605	A602-G604 PolarHBondContact O-N 3.42Å; A602-E605 HydrophobicContact CB-CG 4.01Å; A602-E605 VanDerWaalsContact CB-OE2 3.3Å; A602-E605 WeakPolarHBondContact CB-OE2 3.5Å; A602-E605 PolarHBondContact N-OE2 3.35Å; A602-E605 WeakPolarHBondContact O-CB 3.33Å; A602-E605 PolarHBondContact O-N 2.86Å
603	A	63.8	Low	82.6	Confident	115 Å²	115	41.8 Å²	41.8	95%	0.95	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	109.5	-178.7	0	0	0	0	0	111.2
604	G	61.6	Low	82.8	Confident	85 Å²	85	38.2 Å²	38.2	88%	0.876	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	108.6	-2.2	-175.9	0	0	0	0	0	115.6	A602	A602-G604 PolarHBondContact O-N 3.42Å
605	E	68.9	Low	82.9	Confident	115 Å²	115	37.5 Å²	37.5	54%	0.537	24%	0.237	S	C	.	.	S	Bend	trans	-80.7	153.4	168.2	-66.8	179	149.6	0	0	111.2	A602 L607	A602-E605 HydrophobicContact CB-CG 4.01Å; A602-E605 VanDerWaalsContact CB-OE2 3.3Å; A602-E605 WeakPolarHBondContact CB-OE2 3.5Å; A602-E605 PolarHBondContact N-OE2 3.35Å; A602-E605 WeakPolarHBondContact O-CB 3.33Å; A602-E605 PolarHBondContact O-N 2.86Å; E605-L607 PolarHBondContact O-N 3.44Å
606	K	71.1	Confident	82.9	Confident	155 Å²	155	36.4 Å²	36.4	67%	0.674	23%	0.231	S	C	*	.	P	Polyproline II helix	trans	-69.7	123.1	175.3	-173.1	-166.3	171.2	-169.3	0	109.3	E609	K606-E609 WeakPolarHBondContact CE-OE1 3.42Å; K606-E609 IonicContact NZ-OE1 2.74Å; K606-E609 PolarHBondContact NZ-OE1 3.26Å
607	L	81.4	Confident	82.7	Confident	21 Å²	21	38.9 Å²	38.9	11%	0.11	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-74.6	136.3	173.1	-67.3	163.6	0	0	0	110.5	R150 F601 E605 E633 V639	R150-L607 PolarHBondContact NE-O 3.11Å; R150-L607 PolarHBondContact NH2-O 2.74Å; F601-L607 HydrophobicContact CB-CD2 3.65Å; F601-L607 HydrophobicContact CD1-CD2 4.47Å; F601-L607 HydrophobicContact CD2-CD2 3.56Å; F601-L607 HydrophobicContact CE2-CD2 4.42Å; F601-L607 HydrophobicContact CG-CD2 3.65Å; E605-L607 PolarHBondContact O-N 3.44Å; L607-E633 WeakPolarHBondContact CD1-OE1 3.43Å; L607-V639 HydrophobicContact CD2-CG1 4.24Å
608	P	82.7	Confident	82.1	Confident	3 Å²	3	40.8 Å²	40.8	2%	0.019	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-54.3	158.9	179.6	-32.1	38.4	0	0	0	115	R150 F601 N612 L614 V630 D658	R150-P608 PolarHBondContact NE-O 2.7Å; R150-P608 PolarHBondContact NH2-O 2.87Å; F601-P608 VanDerWaalsContact CE1-CD 3.4Å; F601-P608 HydrophobicContact CE1-CG 3.59Å; F601-P608 HydrophobicContact CE2-CG 4.08Å; F601-P608 HydrophobicContact CZ-CG 3.29Å; P608-N612 HydrophobicContact CB-CB 4.16Å; P608-L614 HydrophobicContact CB-CD2 3.84Å; P608-L614 HydrophobicContact CG-CD2 3.74Å; P608-V630 HydrophobicContact CB-CG2 3.96Å; P608-D658 HydrophobicContact CB-CB 4.36Å; P608-D658 VanDerWaalsContact CB-OD2 3.22Å; P608-D658 WeakPolarHBondContact CB-OD2 3.4Å; P608-D658 HydrophobicContact CG-CB 3.94Å
609	E	81.5	Confident	81	Confident	39 Å²	39	47.5 Å²	47.5	18%	0.182	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-67.8	151.7	173.6	-42.7	-66.8	142.9	0	0	111.9	R150 K606 N611 N612 V630	R150-E609 IonicContact CZ-OE2 3.76Å; R150-E609 IonicContact NH1-OE2 3.35Å; R150-E609 VanDerWaalsContact NH2-CA 3.25Å; R150-E609 IonicContact NH2-OE1 2.82Å; R150-E609 PolarHBondContact NH2-OE1 3.31Å; R150-E609 IonicContact NH2-OE2 3.9Å; R150-E609 PolarHBondContact NH2-OE2 2.72Å; K606-E609 WeakPolarHBondContact CE-OE1 3.42Å; K606-E609 IonicContact NZ-OE1 2.74Å; K606-E609 PolarHBondContact NZ-OE1 3.26Å; E609-N611 PolarHBondContact O-N 3.07Å; E609-N612 HydrophobicContact CB-CB 4.36Å; E609-N612 WeakPolarHBondContact CG-ND2 3.31Å; E609-N612 PolarHBondContact N-ND2 3.34Å; E609-N612 VanDerWaalsContact O-CB 3.24Å; E609-N612 WeakPolarHBondContact O-CB 3.26Å; E609-N612 PolarHBondContact O-N 2.9Å; E609-V630 WeakPolarHBondContact O-CB 3.44Å
610	I	85.9	Confident	79.7	Confident	14 Å²	14	50.5 Å²	50.5	7%	0.072	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	135.9	167	-59.4	176.3	0	0	0	108.1	I101 F146 S147 N612	I101-I610 HydrophobicContact CG1-CD1 4.35Å; F146-I610 HydrophobicContact CD2-CD1 4.09Å; F146-I610 HydrophobicContact CE2-CD1 4.41Å; S147-I610 PolarHBondContact O-N 3.34Å; I610-N612 VanDerWaalsContact C-N 3.31Å
611	N	88.7	Confident	78.8	Confident	49 Å²	49	52.3 Å²	52.3	26%	0.262	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	0.8	-167.7	-44	-72.9	0	0	0	116.5	E609 V630 A662	E609-N611 PolarHBondContact O-N 3.07Å; N611-V630 WeakPolarHBondContact CA-O 3.44Å; N611-V630 PolarHBondContact N-O 3.16Å; N611-A662 WeakPolarHBondContact O-CA 3.29Å
612	N	88.1	Confident	77.9	Confident	9 Å²	9	59.1 Å²	59.1	5%	0.048	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	141.9	171.9	-91.4	6.6	0	0	0	111.4	P608 E609 I610 L614 E629 V630 D658 G660 R661	P608-N612 HydrophobicContact CB-CB 4.16Å; E609-N612 HydrophobicContact CB-CB 4.36Å; E609-N612 WeakPolarHBondContact CG-ND2 3.31Å; E609-N612 PolarHBondContact N-ND2 3.34Å; E609-N612 VanDerWaalsContact O-CB 3.24Å; E609-N612 WeakPolarHBondContact O-CB 3.26Å; E609-N612 PolarHBondContact O-N 2.9Å; I610-N612 VanDerWaalsContact C-N 3.31Å; N612-L614 HydrophobicContact CB-CD2 4.43Å; N612-E629 WeakPolarHBondContact O-CA 3.28Å; N612-V630 HydrophobicContact CB-CG2 4.49Å; N612-V630 PolarHBondContact O-N 2.94Å; N612-D658 VanDerWaalsContact CB-OD1 3.25Å; N612-D658 WeakPolarHBondContact CB-OD1 3.42Å; N612-D658 PolarHBondContact ND2-OD1 2.79Å; N612-D658 PolarHBondContact ND2-OD2 2.82Å; N612-G660 WeakPolarHBondContact ND2-CA 3.48Å; N612-R661 WeakPolarHBondContact CA-O 3.22Å; N612-R661 WeakPolarHBondContact OD1-CA 3.49Å; N612-R661 PolarHBondContact OD1-N 3.22Å; N612-R661 PolarHBondContact OD1-O 2.69Å
613	A	89.2	Confident	77.3	Confident	3 Å²	3	60.8 Å²	60.8	3%	0.025	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	118	177.4	0	0	0	0	0	110.4	V627 L628 D658 T659 R661 I663	A613-V627 HydrophobicContact CB-CG1 3.97Å; A613-L628 CarbonylContact C-O 3.55Å; A613-L628 WeakPolarHBondContact CA-O 3.43Å; A613-D658 CarbonylContact O-C 3.33Å; A613-T659 WeakPolarHBondContact CB-OG1 3.42Å; A613-T659 WeakPolarHBondContact O-CB 3.23Å; A613-T659 WeakPolarHBondContact O-CG2 3.43Å; A613-T659 PolarHBondContact O-N 2.75Å; A613-T659 PolarHBondContact O-OG1 2.91Å; A613-R661 PolarHBondContact N-O 2.85Å; A613-I663 HydrophobicContact CB-CB 4.17Å; A613-I663 HydrophobicContact CB-CG1 3.42Å; A613-I663 VanDerWaalsContact CB-CG1 3.42Å
614	L	90.7	Very high	77.7	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	134.7	175.2	-27.5	-179.2	0	0	0	111.3	V599 F601 P608 N612 V627 L628 V630 T641 V656 F657 D658	V599-L614 HydrophobicContact CB-CD1 4.46Å; V599-L614 HydrophobicContact CG1-CD1 3.81Å; V599-L614 HydrophobicContact CG2-CD1 4.4Å; F601-L614 HydrophobicContact CZ-CD1 4.37Å; P608-L614 HydrophobicContact CB-CD2 3.84Å; P608-L614 HydrophobicContact CG-CD2 3.74Å; N612-L614 HydrophobicContact CB-CD2 4.43Å; L614-V627 CarbonylContact O-C 3.58Å; L614-V627 WeakPolarHBondContact O-CA 3.48Å; L614-L628 HydrophobicContact CB-CB 4.34Å; L614-L628 PolarHBondContact N-O 3.23Å; L614-L628 PolarHBondContact O-N 2.8Å; L614-V630 HydrophobicContact CD1-CG2 3.95Å; L614-V630 HydrophobicContact CD2-CG2 3.63Å; L614-V630 HydrophobicContact CG-CG2 3.84Å; L614-T641 HydrophobicContact CD1-CG2 3.78Å; L614-V656 HydrophobicContact CB-CG1 3.41Å; L614-V656 VanDerWaalsContact CB-CG1 3.41Å; L614-V656 HydrophobicContact CD1-CG1 3.93Å; L614-V656 HydrophobicContact CG-CG1 4.34Å; L614-F657 CarbonylContact C-O 3.51Å; L614-F657 WeakPolarHBondContact CA-O 3.45Å; L614-D658 HydrophobicContact CD2-CB 3.51Å; L614-D658 WeakPolarHBondContact CD2-OD1 3Å
615	I	88.6	Confident	78.8	Confident	30 Å²	30	59.2 Å²	59.2	15%	0.154	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	137.2	176.8	-66.5	167.5	0	0	0	110.2	Y617 K625 I626 V627 V656 F657 T659	I615-Y617 HydrophobicContact CG2-CD1 4.19Å; I615-Y617 HydrophobicContact CG2-CD2 4.48Å; I615-Y617 HydrophobicContact CG2-CE1 3.69Å; I615-Y617 HydrophobicContact CG2-CE2 3.98Å; I615-K625 HydrophobicContact CG2-CB 3.94Å; I615-I626 CarbonylContact C-O 3.59Å; I615-I626 WeakPolarHBondContact CA-O 3.18Å; I615-V627 HydrophobicContact CG1-CG2 4.19Å; I615-V656 CarbonylContact O-C 3.59Å; I615-V656 WeakPolarHBondContact O-CA 3.37Å; I615-V656 WeakPolarHBondContact O-CG1 3.34Å; I615-F657 HydrophobicContact CB-CB 4.34Å; I615-F657 PolarHBondContact N-O 3.08Å; I615-F657 PolarHBondContact O-N 2.87Å; I615-T659 HydrophobicContact CD1-CG2 3.52Å; I615-T659 HydrophobicContact CG1-CG2 3.9Å
616	V	88.4	Confident	79.7	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	137.4	170	-161.7	0	0	0	0	108.8	I589 K625 I626 L628 L650 L654 E655 V656	I589-V616 HydrophobicContact CD1-CG1 3.8Å; I589-V616 HydrophobicContact CD1-CG2 4.17Å; I589-V616 HydrophobicContact CG1-CG1 4.36Å; V616-K625 CarbonylContact O-C 3.57Å; V616-K625 VanDerWaalsContact O-CA 3.25Å; V616-K625 WeakPolarHBondContact O-CA 3.18Å; V616-I626 HydrophobicContact CB-CB 4.45Å; V616-I626 PolarHBondContact N-O 3.04Å; V616-I626 PolarHBondContact O-N 3.16Å; V616-L628 HydrophobicContact CG2-CD1 3.46Å; V616-L628 VanDerWaalsContact CG2-CD1 3.46Å; V616-L628 HydrophobicContact CG2-CG 3.79Å; V616-L650 HydrophobicContact CB-CD2 4.2Å; V616-L650 HydrophobicContact CG1-CD2 3.77Å; V616-L654 HydrophobicContact CG1-CB 4.15Å; V616-L654 HydrophobicContact CG1-CD1 4.38Å; V616-E655 WeakPolarHBondContact CG1-O 3.45Å; V616-V656 HydrophobicContact CG1-CG2 4.22Å; V616-V656 HydrophobicContact CG2-CB 4.48Å; V616-V656 HydrophobicContact CG2-CG1 4.15Å; V616-V656 HydrophobicContact CG2-CG2 3.91Å
617	Y	84.6	Confident	80.6	Confident	57 Å²	57	46.9 Å²	46.9	22%	0.224	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	122.8	174.9	-60.1	-68	0	0	0	111.2	I615 K622 Q624 K625 F657	I615-Y617 HydrophobicContact CG2-CD1 4.19Å; I615-Y617 HydrophobicContact CG2-CD2 4.48Å; I615-Y617 HydrophobicContact CG2-CE1 3.69Å; I615-Y617 HydrophobicContact CG2-CE2 3.98Å; Y617-K622 HydrophobicContact CD1-CB 4.32Å; Y617-K622 HydrophobicContact CD1-CG 4.33Å; Y617-K622 HydrophobicContact CE1-CB 4.24Å; Y617-K622 HydrophobicContact CE1-CG 4.29Å; Y617-K622 HydrophobicContact CG-CG 4.44Å; Y617-Q624 WeakPolarHBondContact CA-O 3.27Å; Y617-K625 HydrophobicContact CD1-CB 4.18Å; Y617-K625 HydrophobicContact CE1-CB 4.06Å; Y617-F657 AromaticContact CD2-CD2 3.74Å; Y617-F657 HydrophobicContact CD2-CD2 3.74Å; Y617-F657 AromaticContact CD2-CE2 3.54Å; Y617-F657 HydrophobicContact CD2-CE2 3.54Å; Y617-F657 HydrophobicContact CD2-CZ 4.42Å; Y617-F657 AromaticContact CE2-CD2 3.62Å; Y617-F657 HydrophobicContact CE2-CD2 3.62Å; Y617-F657 AromaticContact CE2-CE2 3.78Å; Y617-F657 HydrophobicContact CE2-CE2 3.78Å; Y617-F657 HydrophobicContact CE2-CG 4.29Å
618	K	77.2	Confident	81.1	Confident	40 Å²	40	45.9 Å²	45.9	17%	0.174	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-68.7	132	177.1	-59.5	-173.8	-173.8	-169.6	0	110.2	G620 D621 Q624 I626 S646 D648	K618-G620 PolarHBondContact O-N 3.34Å; K618-D621 WeakPolarHBondContact O-CB 3.48Å; K618-D621 PolarHBondContact O-N 2.89Å; K618-Q624 HydrophobicContact CB-CB 3.92Å; K618-Q624 HydrophobicContact CD-CB 4.37Å; K618-Q624 HydrophobicContact CG-CB 4.24Å; K618-Q624 PolarHBondContact N-O 2.91Å; K618-I626 HydrophobicContact CD-CD1 4.5Å; K618-S646 PolarHBondContact NZ-O 3.28Å; K618-D648 WeakPolarHBondContact CE-O 3.4Å; K618-D648 PolarHBondContact NZ-O 3.31Å
619	D	69.6	Low	81.5	Confident	152 Å²	152	45.7 Å²	45.7	81%	0.813	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	49.6	20.5	178.4	-62.2	-25.1	0	0	0	116	D621	D619-D621 VanDerWaalsContact C-N 3.26Å; D619-D621 PolarHBondContact O-N 2.88Å
620	G	64.1	Low	82	Confident	63 Å²	63	44 Å²	44	65%	0.649	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	78	1.9	-173.8	0	0	0	0	0	115.1	K618 K622	K618-G620 PolarHBondContact O-N 3.34Å; G620-K622 PolarHBondContact O-N 2.94Å
621	D	68.3	Low	82.1	Confident	72 Å²	72	43.9 Å²	43.9	39%	0.385	24%	0.239	S	C	.	.			trans	-77.8	112	175.2	-172.4	-16.1	0	0	0	110.4	K618 D619 S623 Q624	K618-D621 WeakPolarHBondContact O-CB 3.48Å; K618-D621 PolarHBondContact O-N 2.89Å; D619-D621 VanDerWaalsContact C-N 3.26Å; D619-D621 PolarHBondContact O-N 2.88Å; D621-S623 PolarHBondContact O-N 3.39Å; D621-S623 WeakPolarHBondContact OD1-CB 3.48Å; D621-S623 PolarHBondContact OD1-N 3.31Å; D621-S623 PolarHBondContact OD1-OG 3.34Å; D621-S623 PolarHBondContact OD2-OG 3.09Å; D621-S623 VanDerWaalsContact OD2-OG 3.12Å; D621-Q624 PolarHBondContact O-N 2.75Å; D621-Q624 VanDerWaalsContact O-N 3.07Å
622	K	67.3	Low	81.9	Confident	163 Å²	163	41.8 Å²	41.8	71%	0.709	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-15.2	179.5	-71.5	-165.5	174.2	-167.2	0	114.4	Y617 G620 Q624	Y617-K622 HydrophobicContact CD1-CB 4.32Å; Y617-K622 HydrophobicContact CD1-CG 4.33Å; Y617-K622 HydrophobicContact CE1-CB 4.24Å; Y617-K622 HydrophobicContact CE1-CG 4.29Å; Y617-K622 HydrophobicContact CG-CG 4.44Å; G620-K622 PolarHBondContact O-N 2.94Å; K622-Q624 VanDerWaalsContact C-N 3.33Å
623	S	62.5	Low	81.7	Confident	92 Å²	92	41.5 Å²	41.5	64%	0.643	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-24.8	172.2	71.5	0	0	0	0	112.6	D621 K625	D621-S623 PolarHBondContact O-N 3.39Å; D621-S623 WeakPolarHBondContact OD1-CB 3.48Å; D621-S623 PolarHBondContact OD1-N 3.31Å; D621-S623 PolarHBondContact OD1-OG 3.34Å; D621-S623 PolarHBondContact OD2-OG 3.09Å; D621-S623 VanDerWaalsContact OD2-OG 3.12Å; S623-K625 PolarHBondContact O-N 2.68Å
624	Q	71	Confident	81.4	Confident	101 Å²	101	43.8 Å²	43.8	47%	0.472	24%	0.238	S	C	.	.	S	Bend	trans	-102.8	65.9	180	-62.1	-165.9	31.9	0	0	111.3	Y617 K618 D621 K622	Y617-Q624 WeakPolarHBondContact CA-O 3.27Å; K618-Q624 HydrophobicContact CB-CB 3.92Å; K618-Q624 HydrophobicContact CD-CB 4.37Å; K618-Q624 HydrophobicContact CG-CB 4.24Å; K618-Q624 PolarHBondContact N-O 2.91Å; D621-Q624 PolarHBondContact O-N 2.75Å; D621-Q624 VanDerWaalsContact O-N 3.07Å; K622-Q624 VanDerWaalsContact C-N 3.33Å
625	K	84.1	Confident	80.7	Confident	65 Å²	65	44.3 Å²	44.3	28%	0.283	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	150.5	164.7	61.4	175.2	179.9	171.4	0	110.9	I615 V616 Y617 S623 D681	I615-K625 HydrophobicContact CG2-CB 3.94Å; V616-K625 CarbonylContact O-C 3.57Å; V616-K625 VanDerWaalsContact O-CA 3.25Å; V616-K625 WeakPolarHBondContact O-CA 3.18Å; Y617-K625 HydrophobicContact CD1-CB 4.18Å; Y617-K625 HydrophobicContact CE1-CB 4.06Å; S623-K625 PolarHBondContact O-N 2.68Å; K625-D681 VanDerWaalsContact CE-OD2 3.31Å; K625-D681 WeakPolarHBondContact CE-OD2 3.47Å; K625-D681 IonicContact NZ-OD1 2.75Å; K625-D681 PolarHBondContact NZ-OD1 3.5Å; K625-D681 IonicContact NZ-OD2 3.57Å; K625-D681 PolarHBondContact NZ-OD2 2.81Å
626	I	88	Confident	80.1	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	134.6	151.8	-77.6	169.3	0	0	0	106.4	I615 V616 K618 L628 E645 S646 L650	I615-I626 CarbonylContact C-O 3.59Å; I615-I626 WeakPolarHBondContact CA-O 3.18Å; V616-I626 HydrophobicContact CB-CB 4.45Å; V616-I626 PolarHBondContact N-O 3.04Å; V616-I626 PolarHBondContact O-N 3.16Å; K618-I626 HydrophobicContact CD-CD1 4.5Å; I626-L628 HydrophobicContact CG2-CD2 3.72Å; I626-L628 HydrophobicContact CG2-CG 4.28Å; I626-E645 VanDerWaalsContact CA-OE2 3.27Å; I626-E645 WeakPolarHBondContact CA-OE2 3.31Å; I626-E645 HydrophobicContact CG1-CB 4.25Å; I626-E645 HydrophobicContact CG2-CB 4.4Å; I626-S646 VanDerWaalsContact CD1-O 3.31Å; I626-S646 WeakPolarHBondContact CD1-O 3.29Å; I626-L650 HydrophobicContact CD1-CD1 3.92Å; I626-L650 HydrophobicContact CD1-CD2 3.71Å; I626-L650 HydrophobicContact CD1-CG 3.66Å
627	V	90.4	Very high	79.7	Confident	10 Å²	10	51.2 Å²	51.2	6%	0.061	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	129.6	163.4	178.5	0	0	0	0	111.4	A613 L614 I615 M644 E645 I663 L679	A613-V627 HydrophobicContact CB-CG1 3.97Å; L614-V627 CarbonylContact O-C 3.58Å; L614-V627 WeakPolarHBondContact O-CA 3.48Å; I615-V627 HydrophobicContact CG1-CG2 4.19Å; V627-M644 HydrophobicContact CB-CB 4.47Å; V627-M644 HydrophobicContact CB-CG 4.5Å; V627-M644 HydrophobicContact CG1-CG 4.21Å; V627-M644 PolarHBondContact O-N 3.28Å; V627-E645 PolarHBondContact N-OE2 2.9Å; V627-I663 HydrophobicContact CG1-CD1 4.27Å; V627-I663 HydrophobicContact CG1-CG1 4.19Å; V627-L679 HydrophobicContact CB-CD1 3.81Å; V627-L679 HydrophobicContact CB-CD2 3.65Å; V627-L679 HydrophobicContact CB-CG 4.39Å; V627-L679 HydrophobicContact CG1-CD2 3.78Å; V627-L679 HydrophobicContact CG2-CD1 3.61Å; V627-L679 HydrophobicContact CG2-CD2 3.91Å; V627-L679 HydrophobicContact CG2-CG 4.35Å
628	L	92.5	Very high	79.9	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	152.9	168	-52.1	177.9	0	0	0	108.6	V597 V599 A613 L614 V616 I626 T641 I642 A643	V597-L628 HydrophobicContact CB-CD1 4.1Å; V597-L628 HydrophobicContact CB-CD2 4.13Å; V597-L628 HydrophobicContact CG1-CD1 3.94Å; V597-L628 HydrophobicContact CG2-CD2 3.87Å; V599-L628 HydrophobicContact CG2-CD1 3.94Å; A613-L628 CarbonylContact C-O 3.55Å; A613-L628 WeakPolarHBondContact CA-O 3.43Å; L614-L628 HydrophobicContact CB-CB 4.34Å; L614-L628 PolarHBondContact N-O 3.23Å; L614-L628 PolarHBondContact O-N 2.8Å; V616-L628 HydrophobicContact CG2-CD1 3.46Å; V616-L628 VanDerWaalsContact CG2-CD1 3.46Å; V616-L628 HydrophobicContact CG2-CG 3.79Å; I626-L628 HydrophobicContact CG2-CD2 3.72Å; I626-L628 HydrophobicContact CG2-CG 4.28Å; L628-T641 HydrophobicContact CB-CG2 4.48Å; L628-I642 CarbonylContact C-O 3.45Å; L628-I642 WeakPolarHBondContact CA-O 3.48Å; L628-A643 HydrophobicContact CD2-CB 3.6Å
629	E	91.7	Very high	80.4	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	133.1	172.3	-170.7	-165.1	78.7	0	0	110.4	N612 A631 T641 I642 M644 I663 H699 R807	N612-E629 WeakPolarHBondContact O-CA 3.28Å; E629-A631 PolarHBondContact O-N 2.94Å; E629-T641 CarbonylContact O-C 3.57Å; E629-T641 WeakPolarHBondContact O-CA 3.27Å; E629-T641 VanDerWaalsContact O-CB 3.26Å; E629-T641 WeakPolarHBondContact O-CB 3.46Å; E629-I642 PolarHBondContact N-O 2.85Å; E629-I642 PolarHBondContact O-N 2.94Å; E629-M644 HydrophobicContact CB-CE 3.86Å; E629-I663 HydrophobicContact CB-CD1 4.44Å; E629-H699 IonicContact OE2-CD2 3.22Å; E629-H699 IonicContact OE2-CE1 2.72Å; E629-H699 IonicContact OE2-NE2 3.59Å; E629-H699 PolarHBondContact OE2-NE2 3.22Å; E629-R807 IonicContact OE1-CZ 2.69Å; E629-R807 IonicContact OE1-NE 3.67Å; E629-R807 PolarHBondContact OE1-NE 2.93Å; E629-R807 IonicContact OE1-NH2 2.68Å; E629-R807 PolarHBondContact OE1-NH2 3.46Å; E629-R807 WeakPolarHBondContact OE2-CD 3.49Å; E629-R807 IonicContact OE2-CZ 3.73Å; E629-R807 IonicContact OE2-NE 2.8Å; E629-R807 PolarHBondContact OE2-NE 3.07Å
630	V	91	Very high	81.5	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.012	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	122	179.5	-178.3	0	0	0	0	111.3	P608 E609 N611 N612 L614 V639 T641	P608-V630 HydrophobicContact CB-CG2 3.96Å; E609-V630 WeakPolarHBondContact O-CB 3.44Å; N611-V630 WeakPolarHBondContact CA-O 3.44Å; N611-V630 PolarHBondContact N-O 3.16Å; N612-V630 HydrophobicContact CB-CG2 4.49Å; N612-V630 PolarHBondContact O-N 2.94Å; L614-V630 HydrophobicContact CD1-CG2 3.95Å; L614-V630 HydrophobicContact CD2-CG2 3.63Å; L614-V630 HydrophobicContact CG-CG2 3.84Å; V630-V639 HydrophobicContact CG1-CB 4.13Å; V630-V639 HydrophobicContact CG1-CG1 4.34Å; V630-V639 HydrophobicContact CG2-CG2 4.41Å; V630-T641 HydrophobicContact CG2-CG2 4.14Å
631	A	88.1	Confident	82.8	Confident	12 Å²	12	41.3 Å²	41.3	10%	0.099	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	-38.9	-174.7	0	0	0	0	0	113.7	E629 R640 I642 L848	E629-A631 PolarHBondContact O-N 2.94Å; A631-R640 PolarHBondContact N-O 3.48Å; A631-I642 HydrophobicContact CB-CD1 3.69Å; A631-I642 HydrophobicContact CB-CG1 3.95Å; A631-L848 HydrophobicContact CB-CD1 4.43Å; A631-L848 HydrophobicContact CB-CD2 4.1Å
632	L	85.1	Confident	83.9	Confident	6 Å²	6	38 Å²	38	3%	0.031	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	162.9	179.1	-57.4	169.7	0	0	0	110.3	R640 L848	L632-R640 HydrophobicContact CB-CB 4.18Å; L632-R640 PolarHBondContact N-O 3.24Å; L632-R640 PolarHBondContact O-N 3.23Å; L632-L848 HydrophobicContact CD1-CB 4.15Å; L632-L848 HydrophobicContact CD1-CD1 4.34Å; L632-L848 HydrophobicContact CD1-CD2 4.09Å; L632-L848 HydrophobicContact CD1-CG 4.42Å
633	E	83.5	Confident	85.1	Confident	2 Å²	2	30.3 Å²	30.3	1%	0.009	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.8	171.9	-163.2	170.3	161.2	0	0	109.2	I101 R150 E151 L607 V639	I101-E633 HydrophobicContact CG2-CB 3.53Å; I101-E633 HydrophobicContact CG2-CG 4.19Å; I101-E633 WeakPolarHBondContact CG2-OE2 3.4Å; I101-E633 PolarHBondContact O-N 2.85Å; R150-E633 WeakPolarHBondContact CA-OE2 3.46Å; R150-E633 WeakPolarHBondContact CD-OE2 3.23Å; E151-E633 HydrophobicContact CB-CG 4.13Å; E151-E633 WeakPolarHBondContact CB-OE1 3.49Å; E151-E633 VanDerWaalsContact N-CD 3.29Å; E151-E633 PolarHBondContact N-OE1 3.27Å; L607-E633 WeakPolarHBondContact CD1-OE1 3.43Å; E633-V639 HydrophobicContact CG-CG1 4.14Å
634	L	82.1	Confident	86.4	Confident	51 Å²	51	26 Å²	26	27%	0.267	14%	0.137	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	-26.4	-157.1	-65.9	-178.5	0	0	0	115.5	D598 L638 R640	D598-L634 HydrophobicContact CB-CD1 4.36Å; L634-L638 HydrophobicContact CB-CB 4.17Å; L634-L638 WeakPolarHBondContact CB-O 3.29Å; L634-L638 HydrophobicContact CD1-CB 4.41Å; L634-L638 PolarHBondContact N-O 3.01Å; L634-R640 HydrophobicContact CD1-CB 4Å; L634-R640 HydrophobicContact CD2-CB 3.95Å; L634-R640 HydrophobicContact CG-CB 3.92Å
635	G	76.1	Confident	87.2	Confident	12 Å²	12	23.8 Å²	23.8	12%	0.124	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	128.6	146.4	-163.1	0	0	0	0	0	113	E151 G637 L638	E151-G635 WeakPolarHBondContact OE1-CA 3.25Å; E151-G635 WeakPolarHBondContact OE2-CA 3.49Å; E151-G635 PolarHBondContact OE2-N 3.35Å; G635-G637 PolarHBondContact O-N 2.54Å; G635-G637 VanDerWaalsContact O-N 3.14Å; G635-L638 WeakPolarHBondContact O-CB 3.44Å; G635-L638 PolarHBondContact O-N 3.27Å; G635-L638 VanDerWaalsContact O-N 3.12Å
636	D	77.1	Confident	87.3	Confident	160 Å²	160	23.3 Å²	23.3	86%	0.856	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	51	33.1	173.7	-60.8	-62.1	0	0	0	114.9	E151	E151-D636 PolarHBondContact OE1-N 2.98Å; E151-D636 PolarHBondContact OE2-N 3.05Å
637	G	80.5	Confident	87.3	Confident	14 Å²	14	24.3 Å²	24.3	14%	0.144	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	19.5	178.4	0	0	0	0	0	115.4	E151 F601 G635	E151-G637 PolarHBondContact OE2-N 3.29Å; E151-G637 VanDerWaalsContact OE2-N 3.14Å; F601-G637 PolarHBondContact N-O 2.99Å; F601-G637 VanDerWaalsContact N-O 3.11Å; G635-G637 PolarHBondContact O-N 2.54Å; G635-G637 VanDerWaalsContact O-N 3.14Å
638	L	87.3	Confident	87	Confident	55 Å²	55	29.5 Å²	29.5	29%	0.288	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	122.5	171.2	-73.5	151.5	0	0	0	111.3	A590 D598 V599 A600 L634 G635	A590-L638 HydrophobicContact CB-CD2 3.6Å; D598-L638 HydrophobicContact CB-CD2 4.46Å; V599-L638 WeakPolarHBondContact O-CA 3.43Å; A600-L638 HydrophobicContact CB-CD2 3.72Å; A600-L638 HydrophobicContact CB-CG 4.33Å; L634-L638 HydrophobicContact CB-CB 4.17Å; L634-L638 WeakPolarHBondContact CB-O 3.29Å; L634-L638 HydrophobicContact CD1-CB 4.41Å; L634-L638 PolarHBondContact N-O 3.01Å; G635-L638 WeakPolarHBondContact O-CB 3.44Å; G635-L638 PolarHBondContact O-N 3.27Å; G635-L638 VanDerWaalsContact O-N 3.12Å
639	V	89	Confident	86.5	Confident	0 Å²	0	32 Å²	32	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	140.6	162.9	-59.1	0	0	0	0	110.5	D598 V599 F601 L607 V630 E633 T641	D598-V639 CarbonylContact C-O 3.52Å; D598-V639 WeakPolarHBondContact CA-O 3.09Å; V599-V639 HydrophobicContact CB-CG2 3.8Å; V599-V639 HydrophobicContact CG1-CG2 4.15Å; V599-V639 PolarHBondContact N-O 3.34Å; V599-V639 PolarHBondContact O-N 3.36Å; F601-V639 HydrophobicContact CD2-CG2 4.47Å; F601-V639 HydrophobicContact CE2-CG2 3.74Å; L607-V639 HydrophobicContact CD2-CG1 4.24Å; V630-V639 HydrophobicContact CG1-CB 4.13Å; V630-V639 HydrophobicContact CG1-CG1 4.34Å; V630-V639 HydrophobicContact CG2-CG2 4.41Å; E633-V639 HydrophobicContact CG-CG1 4.14Å; V639-T641 HydrophobicContact CG2-CG2 3.92Å
640	R	91.5	Very high	86.2	Confident	49 Å²	49	32.9 Å²	32.9	19%	0.185	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	125.4	168.7	177.1	151.8	-71.6	161.2	4.8	109.4	V596 D598 A631 L632 L634 L848	V596-R640 HydrophobicContact CG1-CG 3.67Å; D598-R640 WeakPolarHBondContact OD1-CG 3.45Å; D598-R640 IonicContact OD1-CZ 3.56Å; D598-R640 IonicContact OD1-NE 2.69Å; D598-R640 PolarHBondContact OD1-NE 2.89Å; D598-R640 IonicContact OD1-NH2 2.81Å; D598-R640 PolarHBondContact OD1-NH2 2.9Å; D598-R640 IonicContact OD2-CZ 3.79Å; D598-R640 IonicContact OD2-NE 3.63Å; D598-R640 IonicContact OD2-NH2 2.69Å; D598-R640 PolarHBondContact OD2-NH2 3.43Å; A631-R640 PolarHBondContact N-O 3.48Å; L632-R640 HydrophobicContact CB-CB 4.18Å; L632-R640 PolarHBondContact N-O 3.24Å; L632-R640 PolarHBondContact O-N 3.23Å; L634-R640 HydrophobicContact CD1-CB 4Å; L634-R640 HydrophobicContact CD2-CB 3.95Å; L634-R640 HydrophobicContact CG-CB 3.92Å; R640-L848 HydrophobicContact CG-CD2 3.76Å
641	T	91.5	Very high	86	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	158.4	179.1	74.5	0	0	0	0	111.9	V596 V597 V599 L614 L628 E629 V630 V639	V596-T641 WeakPolarHBondContact CA-O 3.43Å; V597-T641 PolarHBondContact N-O 2.95Å; V597-T641 WeakPolarHBondContact O-CA 3.23Å; V597-T641 WeakPolarHBondContact O-CB 3.28Å; V597-T641 PolarHBondContact O-N 3.06Å; V597-T641 PolarHBondContact O-OG1 3Å; V599-T641 HydrophobicContact CB-CG2 4.21Å; V599-T641 HydrophobicContact CG2-CG2 3.76Å; L614-T641 HydrophobicContact CD1-CG2 3.78Å; L628-T641 HydrophobicContact CB-CG2 4.48Å; E629-T641 CarbonylContact O-C 3.57Å; E629-T641 WeakPolarHBondContact O-CA 3.27Å; E629-T641 VanDerWaalsContact O-CB 3.26Å; E629-T641 WeakPolarHBondContact O-CB 3.46Å; V630-T641 HydrophobicContact CG2-CG2 4.14Å; V639-T641 HydrophobicContact CG2-CG2 3.92Å
642	I	91.6	Very high	86.1	Confident	4 Å²	4	44.3 Å²	44.3	2%	0.021	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	126.1	174.4	-54.6	160.6	0	0	0	107.8	L628 E629 A631 M644 V844 L848	L628-I642 CarbonylContact C-O 3.45Å; L628-I642 WeakPolarHBondContact CA-O 3.48Å; E629-I642 PolarHBondContact N-O 2.85Å; E629-I642 PolarHBondContact O-N 2.94Å; A631-I642 HydrophobicContact CB-CD1 3.69Å; A631-I642 HydrophobicContact CB-CG1 3.95Å; I642-M644 HydrophobicContact CB-CE 4.3Å; I642-M644 HydrophobicContact CG2-CE 4.19Å; I642-M644 WeakPolarHBondContact O-CE 3.13Å; I642-V844 HydrophobicContact CD1-CG1 3.45Å; I642-V844 VanDerWaalsContact CD1-CG1 3.45Å; I642-V844 HydrophobicContact CD1-CG2 4.26Å; I642-V844 HydrophobicContact CG1-CG1 4.46Å; I642-V844 HydrophobicContact CG2-CG2 4.38Å; I642-L848 HydrophobicContact CG1-CD2 4.37Å
643	A	92.3	Very high	86.1	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	135.8	175.7	0	0	0	0	0	111.8	P595 L628 E645 T647 P801	P595-A643 WeakPolarHBondContact O-CB 3.47Å; P595-A643 PolarHBondContact O-N 2.85Å; L628-A643 HydrophobicContact CD2-CB 3.6Å; A643-E645 WeakPolarHBondContact CB-O 3.32Å; A643-T647 HydrophobicContact CB-CG2 3.55Å; A643-P801 WeakPolarHBondContact O-CB 2.68Å
644	M	90.6	Very high	86.2	Confident	3 Å²	3	47.9 Å²	47.9	2%	0.015	28%	0.277	C	S	.	.	S	Bend	trans	-83.9	-16.3	169.5	-59	-60	115.2	0	0	111.7	V627 E629 I642 I663 V678 L679 G803 A804 R807	V627-M644 HydrophobicContact CB-CB 4.47Å; V627-M644 HydrophobicContact CB-CG 4.5Å; V627-M644 HydrophobicContact CG1-CG 4.21Å; V627-M644 PolarHBondContact O-N 3.28Å; E629-M644 HydrophobicContact CB-CE 3.86Å; I642-M644 HydrophobicContact CB-CE 4.3Å; I642-M644 HydrophobicContact CG2-CE 4.19Å; I642-M644 WeakPolarHBondContact O-CE 3.13Å; M644-I663 HydrophobicContact CG-CD1 3.77Å; M644-I663 HydrophobicContact SD-CD1 3.96Å; M644-V678 HydrophobicContact CB-CG1 4.17Å; M644-L679 HydrophobicContact CB-CD2 3.95Å; M644-L679 HydrophobicContact CG-CD2 4.01Å; M644-G803 VanDerWaalsContact SD-C 3.6Å; M644-A804 WeakPolarHBondContact O-CB 3.49Å; M644-R807 HydrophobicContact CE-CG 4.14Å; M644-R807 HydrophobicContact SD-CB 4.04Å; M644-R807 HydrophobicContact SD-CG 3.81Å
645	E	87.5	Confident	86.5	Confident	53 Å²	53	50.7 Å²	50.7	25%	0.248	29%	0.289	C	S	.	.	S	Bend	trans	-130	166.3	-176.6	-64.9	170.2	86.2	0	0	110.6	I626 V627 A643 T647 L679 P801	I626-E645 VanDerWaalsContact CA-OE2 3.27Å; I626-E645 WeakPolarHBondContact CA-OE2 3.31Å; I626-E645 HydrophobicContact CG1-CB 4.25Å; I626-E645 HydrophobicContact CG2-CB 4.4Å; V627-E645 PolarHBondContact N-OE2 2.9Å; A643-E645 WeakPolarHBondContact CB-O 3.32Å; E645-T647 PolarHBondContact O-N 3.4Å; E645-L679 HydrophobicContact CG-CD1 4.24Å; E645-L679 WeakPolarHBondContact OE2-CD1 3.34Å; E645-P801 WeakPolarHBondContact O-CG 3.33Å
646	S	86.8	Confident	87	Confident	56 Å²	56	50.2 Å²	50.2	39%	0.392	28%	0.283	S	S	.	.			trans	-63.7	124.8	-178.4	-171.6	0	0	0	0	111.8	K618 I626 D648	K618-S646 PolarHBondContact NZ-O 3.28Å; I626-S646 VanDerWaalsContact CD1-O 3.31Å; I626-S646 WeakPolarHBondContact CD1-O 3.29Å; S646-D648 PolarHBondContact O-N 3Å; S646-D648 VanDerWaalsContact O-N 3.08Å; S646-D648 PolarHBondContact OG-N 2.88Å; S646-D648 PolarHBondContact OG-OD2 3.12Å
647	T	87	Confident	87.5	Confident	22 Å²	22	46.3 Å²	46.3	14%	0.135	26%	0.259	C	S	.	.			trans	-67.1	-0.5	175.4	53.2	0	0	0	0	113.8	V592 G594 V597 A643 E645 G649 L650	V592-T647 HydrophobicContact CG1-CG2 4.34Å; G594-T647 PolarHBondContact O-OG1 3.36Å; G594-T647 VanDerWaalsContact O-OG1 3.11Å; V597-T647 HydrophobicContact CG2-CG2 3.78Å; A643-T647 HydrophobicContact CB-CG2 3.55Å; E645-T647 PolarHBondContact O-N 3.4Å; T647-G649 PolarHBondContact O-N 3.1Å; T647-L650 HydrophobicContact CG2-CD1 3.95Å; T647-L650 VanDerWaalsContact O-CB 3.32Å; T647-L650 WeakPolarHBondContact O-CB 3.42Å; T647-L650 PolarHBondContact O-N 2.85Å
648	D	84.3	Confident	87.7	Confident	119 Å²	119	46.2 Å²	46.2	64%	0.636	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	124	174.7	-69	-48.2	0	0	0	111.3	K618 S646	K618-D648 WeakPolarHBondContact CE-O 3.4Å; K618-D648 PolarHBondContact NZ-O 3.31Å; S646-D648 PolarHBondContact O-N 3Å; S646-D648 VanDerWaalsContact O-N 3.08Å; S646-D648 PolarHBondContact OG-N 2.88Å; S646-D648 PolarHBondContact OG-OD2 3.12Å
649	G	81.7	Confident	87.4	Confident	52 Å²	52	44.4 Å²	44.4	54%	0.536	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.5	-9.1	-176	0	0	0	0	0	115.2	T647 T651	T647-G649 PolarHBondContact O-N 3.1Å; G649-T651 PolarHBondContact O-N 3.38Å
650	L	86.5	Confident	86.8	Confident	19 Å²	19	45.7 Å²	45.7	10%	0.099	26%	0.259	C	S	.	.			trans	-67	126.9	171	-69.7	-174.9	0	0	0	110.9	I589 V592 V597 V616 I626 T647 L654	I589-L650 HydrophobicContact CD1-CD1 4.19Å; I589-L650 HydrophobicContact CD1-CD2 4.01Å; V592-L650 HydrophobicContact CG2-CB 4.06Å; V597-L650 HydrophobicContact CG2-CD1 3.87Å; V616-L650 HydrophobicContact CB-CD2 4.2Å; V616-L650 HydrophobicContact CG1-CD2 3.77Å; I626-L650 HydrophobicContact CD1-CD1 3.92Å; I626-L650 HydrophobicContact CD1-CD2 3.71Å; I626-L650 HydrophobicContact CD1-CG 3.66Å; T647-L650 HydrophobicContact CG2-CD1 3.95Å; T647-L650 VanDerWaalsContact O-CB 3.32Å; T647-L650 WeakPolarHBondContact O-CB 3.42Å; T647-L650 PolarHBondContact O-N 2.85Å; L650-L654 HydrophobicContact CD2-CD1 3.89Å
651	T	86.6	Confident	86.4	Confident	81 Å²	81	47.4 Å²	47.4	50%	0.497	27%	0.266	S	S	.	.			trans	-117.2	155.2	174.6	57.4	0	0	0	0	110.9	G649 L654	G649-T651 PolarHBondContact O-N 3.38Å; T651-L654 WeakPolarHBondContact O-CG 3.16Å; T651-L654 PolarHBondContact O-N 3.47Å
652	R	89	Confident	86.1	Confident	172 Å²	172	48 Å²	48	65%	0.649	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	134.6	178.5	-57.4	-174.8	179.4	-149.5	-5	109.7	A590	A590-R652 VanDerWaalsContact O-CD 3.3Å; A590-R652 WeakPolarHBondContact O-CD 3.21Å; A590-R652 VanDerWaalsContact O-CG 3.26Å; A590-R652 WeakPolarHBondContact O-CG 3.48Å
653	G	85	Confident	86.1	Confident	56 Å²	56	48.1 Å²	48.1	58%	0.577	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.1	0.9	-178.4	0	0	0	0	0	115.7	I589	I589-G653 PolarHBondContact O-N 3.06Å; I589-G653 VanDerWaalsContact O-N 3.14Å
654	L	87.4	Confident	85.8	Confident	28 Å²	28	48.7 Å²	48.7	15%	0.147	28%	0.276	C	S	.	.			trans	-62.9	151	170	-74.7	175.5	0	0	0	112.2	I589 V616 L650 T651	I589-L654 HydrophobicContact CB-CB 4.5Å; I589-L654 HydrophobicContact CD1-CB 4.21Å; I589-L654 HydrophobicContact CG1-CB 4.37Å; I589-L654 PolarHBondContact N-O 3.19Å; V616-L654 HydrophobicContact CG1-CB 4.15Å; V616-L654 HydrophobicContact CG1-CD1 4.38Å; L650-L654 HydrophobicContact CD2-CD1 3.89Å; T651-L654 WeakPolarHBondContact O-CG 3.16Å; T651-L654 PolarHBondContact O-N 3.47Å
655	E	87	Confident	85.8	Confident	110 Å²	110	48.6 Å²	48.6	51%	0.514	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	140.1	178.6	-88	170.2	-173.7	0	0	112.3	K588 V616 F657	K588-E655 HydrophobicContact CD-CG 4.25Å; K588-E655 WeakPolarHBondContact CE-OE1 3.47Å; K588-E655 HydrophobicContact CG-CG 4.02Å; K588-E655 IonicContact NZ-OE1 3.45Å; K588-E655 PolarHBondContact NZ-OE1 2.81Å; V616-E655 WeakPolarHBondContact CG1-O 3.45Å; E655-F657 HydrophobicContact CB-CE2 4.07Å; E655-F657 HydrophobicContact CB-CZ 4.1Å
656	V	87.5	Confident	86	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.006	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	160.8	-174.5	-176.5	0	0	0	0	108.4	G587 K588 I589 V599 L614 I615 V616	G587-V656 CarbonylContact C-O 3.57Å; G587-V656 WeakPolarHBondContact CA-O 3.37Å; G587-V656 PolarHBondContact N-O 2.93Å; G587-V656 CarbonylContact O-C 3.37Å; K588-V656 VanDerWaalsContact C-CG2 3.46Å; I589-V656 HydrophobicContact CB-CG2 4.22Å; I589-V656 HydrophobicContact CD1-CG2 4.25Å; I589-V656 HydrophobicContact CG1-CG2 3.27Å; V599-V656 HydrophobicContact CG1-CG1 4.39Å; V599-V656 HydrophobicContact CG1-CG2 4.4Å; L614-V656 HydrophobicContact CB-CG1 3.41Å; L614-V656 VanDerWaalsContact CB-CG1 3.41Å; L614-V656 HydrophobicContact CD1-CG1 3.93Å; L614-V656 HydrophobicContact CG-CG1 4.34Å; I615-V656 CarbonylContact O-C 3.59Å; I615-V656 WeakPolarHBondContact O-CA 3.37Å; I615-V656 WeakPolarHBondContact O-CG1 3.34Å; V616-V656 HydrophobicContact CG1-CG2 4.22Å; V616-V656 HydrophobicContact CG2-CB 4.48Å; V616-V656 HydrophobicContact CG2-CG1 4.15Å; V616-V656 HydrophobicContact CG2-CG2 3.91Å
657	F	87.1	Confident	86.1	Confident	79 Å²	79	43.5 Å²	43.5	35%	0.346	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	91.1	-172.4	-56.9	-91.1	0	0	0	107.3	L614 I615 Y617 E655 T659	L614-F657 CarbonylContact C-O 3.51Å; L614-F657 WeakPolarHBondContact CA-O 3.45Å; I615-F657 HydrophobicContact CB-CB 4.34Å; I615-F657 PolarHBondContact N-O 3.08Å; I615-F657 PolarHBondContact O-N 2.87Å; Y617-F657 AromaticContact CD2-CD2 3.74Å; Y617-F657 HydrophobicContact CD2-CD2 3.74Å; Y617-F657 AromaticContact CD2-CE2 3.54Å; Y617-F657 HydrophobicContact CD2-CE2 3.54Å; Y617-F657 HydrophobicContact CD2-CZ 4.42Å; Y617-F657 AromaticContact CE2-CD2 3.62Å; Y617-F657 HydrophobicContact CE2-CD2 3.62Å; Y617-F657 AromaticContact CE2-CE2 3.78Å; Y617-F657 HydrophobicContact CE2-CE2 3.78Å; Y617-F657 HydrophobicContact CE2-CG 4.29Å; E655-F657 HydrophobicContact CB-CE2 4.07Å; E655-F657 HydrophobicContact CB-CZ 4.1Å; F657-T659 PolarHBondContact O-N 3.19Å
658	D	85.7	Confident	86.2	Confident	11 Å²	11	42.6 Å²	42.6	6%	0.059	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-43.6	138.4	165	-173.7	6.9	0	0	0	109.1	V585 A586 P608 N612 A613 L614 G660	V585-D658 CarbonylContact C-O 3.39Å; V585-D658 VanDerWaalsContact C-O 3.31Å; V585-D658 VanDerWaalsContact CA-O 3.24Å; V585-D658 WeakPolarHBondContact CA-O 3.16Å; V585-D658 WeakPolarHBondContact CB-O 3.36Å; V585-D658 VanDerWaalsContact CG1-O 3.32Å; V585-D658 WeakPolarHBondContact CG1-O 3.44Å; A586-D658 WeakPolarHBondContact CA-O 3.44Å; A586-D658 PolarHBondContact N-O 2.82Å; A586-D658 WeakPolarHBondContact O-CB 3.5Å; P608-D658 HydrophobicContact CB-CB 4.36Å; P608-D658 VanDerWaalsContact CB-OD2 3.22Å; P608-D658 WeakPolarHBondContact CB-OD2 3.4Å; P608-D658 HydrophobicContact CG-CB 3.94Å; N612-D658 VanDerWaalsContact CB-OD1 3.25Å; N612-D658 WeakPolarHBondContact CB-OD1 3.42Å; N612-D658 PolarHBondContact ND2-OD1 2.79Å; N612-D658 PolarHBondContact ND2-OD2 2.82Å; A613-D658 CarbonylContact O-C 3.33Å; L614-D658 HydrophobicContact CD2-CB 3.51Å; L614-D658 WeakPolarHBondContact CD2-OD1 3Å; D658-G660 WeakPolarHBondContact OD1-CA 3.27Å; D658-G660 PolarHBondContact OD1-N 2.79Å
659	T	80.6	Confident	86.4	Confident	18 Å²	18	42.7 Å²	42.7	11%	0.11	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-0.9	169.6	62.4	0	0	0	0	111.8	I584 V585 A613 I615 F657 R661	I584-T659 CarbonylContact C-O 3.52Å; I584-T659 WeakPolarHBondContact CA-O 3.42Å; V585-T659 WeakPolarHBondContact CA-O 3.12Å; V585-T659 PolarHBondContact N-O 2.73Å; A613-T659 WeakPolarHBondContact CB-OG1 3.42Å; A613-T659 WeakPolarHBondContact O-CB 3.23Å; A613-T659 WeakPolarHBondContact O-CG2 3.43Å; A613-T659 PolarHBondContact O-N 2.75Å; A613-T659 PolarHBondContact O-OG1 2.91Å; I615-T659 HydrophobicContact CD1-CG2 3.52Å; I615-T659 HydrophobicContact CG1-CG2 3.9Å; F657-T659 PolarHBondContact O-N 3.19Å; T659-R661 WeakPolarHBondContact O-CG 3.46Å; T659-R661 PolarHBondContact O-N 2.84Å; T659-R661 PolarHBondContact OG1-O 2.91Å
660	G	76.7	Confident	86.7	Confident	26 Å²	26	45.4 Å²	45.4	27%	0.268	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	63.7	5.2	173.3	0	0	0	0	0	114.2	I584 N612 D658	I584-G660 VanDerWaalsContact C-CA 3.48Å; I584-G660 CarbonylContact O-C 3.56Å; I584-G660 VanDerWaalsContact O-C 3.23Å; I584-G660 WeakPolarHBondContact O-CA 3.5Å; N612-G660 WeakPolarHBondContact ND2-CA 3.48Å; D658-G660 WeakPolarHBondContact OD1-CA 3.27Å; D658-G660 PolarHBondContact OD1-N 2.79Å
661	R	81.1	Confident	86.9	Confident	85 Å²	85	44.5 Å²	44.5	32%	0.321	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	166.1	170.9	46.8	158.1	178.2	-135.3	10.7	108.3	E583 N612 A613 T659 S664	E583-R661 WeakPolarHBondContact O-CD 3.35Å; E583-R661 PolarHBondContact O-NH1 3.47Å; N612-R661 WeakPolarHBondContact CA-O 3.22Å; N612-R661 WeakPolarHBondContact OD1-CA 3.49Å; N612-R661 PolarHBondContact OD1-N 3.22Å; N612-R661 PolarHBondContact OD1-O 2.69Å; A613-R661 PolarHBondContact N-O 2.85Å; T659-R661 WeakPolarHBondContact O-CG 3.46Å; T659-R661 PolarHBondContact O-N 2.84Å; T659-R661 PolarHBondContact OG1-O 2.91Å; R661-S664 WeakPolarHBondContact CD-OG 3.45Å
662	A	87	Confident	87.1	Confident	14 Å²	14	42.3 Å²	42.3	12%	0.116	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	157.7	162.8	0	0	0	0	0	112.6	N611 S664 P697 H699	N611-A662 WeakPolarHBondContact O-CA 3.29Å; A662-S664 PolarHBondContact O-N 3.32Å; A662-S664 VanDerWaalsContact O-N 3.15Å; A662-S664 PolarHBondContact O-OG 2.64Å; A662-P697 HydrophobicContact CB-CB 3.98Å; A662-H699 HydrophobicContact CB-CB 3.97Å
663	I	89.8	Confident	87.1	Confident	6 Å²	6	35 Å²	35	3%	0.031	19%	0.192	C	C	.	.			trans	-46.4	125.5	169.3	-59.2	175.2	0	0	0	107.5	A613 V627 E629 M644 V665 L679 P697 I698	A613-I663 HydrophobicContact CB-CB 4.17Å; A613-I663 HydrophobicContact CB-CG1 3.42Å; A613-I663 VanDerWaalsContact CB-CG1 3.42Å; V627-I663 HydrophobicContact CG1-CD1 4.27Å; V627-I663 HydrophobicContact CG1-CG1 4.19Å; E629-I663 HydrophobicContact CB-CD1 4.44Å; M644-I663 HydrophobicContact CG-CD1 3.77Å; M644-I663 HydrophobicContact SD-CD1 3.96Å; I663-V665 HydrophobicContact CG2-CG1 4.26Å; I663-L679 HydrophobicContact CD1-CD2 4.25Å; I663-L679 HydrophobicContact CG2-CD2 4.03Å; I663-P697 CarbonylContact O-C 3.45Å; I663-P697 WeakPolarHBondContact O-CA 3.39Å; I663-I698 HydrophobicContact CB-CD1 3.79Å; I663-I698 HydrophobicContact CB-CG1 4Å; I663-I698 HydrophobicContact CB-CG2 4.47Å; I663-I698 HydrophobicContact CD1-CD1 3.96Å; I663-I698 HydrophobicContact CG1-CD1 4.32Å; I663-I698 HydrophobicContact CG2-CD1 4.21Å; I663-I698 HydrophobicContact CG2-CG2 4.26Å; I663-I698 PolarHBondContact O-N 3.45Å
664	S	87.6	Confident	87.4	Confident	12 Å²	12	34 Å²	34	8%	0.084	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	128.4	-173.9	-62.9	0	0	0	0	111.2	R661 A662 R695 E696 P697	R661-S664 WeakPolarHBondContact CD-OG 3.45Å; A662-S664 PolarHBondContact O-N 3.32Å; A662-S664 VanDerWaalsContact O-N 3.15Å; A662-S664 PolarHBondContact O-OG 2.64Å; S664-R695 VanDerWaalsContact O-CZ 3.31Å; S664-R695 PolarHBondContact O-NE 2.85Å; S664-R695 PolarHBondContact O-NH2 3.22Å; S664-E696 CarbonylContact C-O 3.56Å; S664-E696 WeakPolarHBondContact CA-O 3.48Å; S664-P697 WeakPolarHBondContact OG-CA 3.04Å
665	V	91	Very high	87.5	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	149.1	-161.9	-62.4	0	0	0	0	110	I663 R695 E696 I698 T811 T814 I815	I663-V665 HydrophobicContact CG2-CG1 4.26Å; V665-R695 CarbonylContact O-C 3.59Å; V665-R695 WeakPolarHBondContact O-CA 2.95Å; V665-R695 VanDerWaalsContact O-CB 3.27Å; V665-R695 WeakPolarHBondContact O-CB 3.46Å; V665-E696 PolarHBondContact N-O 3.12Å; V665-E696 PolarHBondContact O-N 2.78Å; V665-I698 HydrophobicContact CB-CG2 4.37Å; V665-I698 HydrophobicContact CG1-CG2 3.56Å; V665-I698 HydrophobicContact CG2-CG2 3.89Å; V665-T811 HydrophobicContact CB-CG2 4.11Å; V665-T811 HydrophobicContact CG1-CG2 3.81Å; V665-T811 HydrophobicContact CG2-CG2 4.11Å; V665-T814 HydrophobicContact CG2-CG2 3.95Å; V665-I815 HydrophobicContact CG2-CG1 4.49Å
666	P	90.1	Very high	87.7	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.006	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	149.7	-178.4	31.6	-33.7	0	0	0	110.3	T671 G680 F689 P694 I815	P666-T671 HydrophobicContact CB-CG2 4.05Å; P666-T671 HydrophobicContact CG-CG2 4.24Å; P666-T671 WeakPolarHBondContact O-CG2 3.24Å; P666-G680 VanDerWaalsContact CD-CA 3.48Å; P666-F689 HydrophobicContact CB-CD1 4.29Å; P666-F689 HydrophobicContact CB-CD2 4.03Å; P666-F689 HydrophobicContact CB-CE1 4.48Å; P666-F689 HydrophobicContact CB-CE2 4.23Å; P666-F689 HydrophobicContact CB-CG 4.06Å; P666-F689 HydrophobicContact CB-CZ 4.45Å; P666-F689 HydrophobicContact CG-CD2 3.6Å; P666-F689 HydrophobicContact CG-CE1 4.47Å; P666-F689 HydrophobicContact CG-CE2 3.49Å; P666-F689 VanDerWaalsContact CG-CE2 3.49Å; P666-F689 HydrophobicContact CG-CG 4.15Å; P666-F689 HydrophobicContact CG-CZ 3.96Å; P666-P694 WeakPolarHBondContact CA-O 3.46Å; P666-I815 WeakPolarHBondContact O-CG1 3.09Å
667	V	90.3	Very high	87.8	Confident	2 Å²	2	28.8 Å²	28.8	1%	0.012	15%	0.147	C	C	.	.			trans	-139.8	175.1	-177.6	-63.7	0	0	0	0	110.9	P694 E696 T814 I815 Y818	V667-P694 HydrophobicContact CG2-CB 4.04Å; V667-P694 HydrophobicContact CG2-CG 4.45Å; V667-P694 WeakPolarHBondContact CG2-O 3.41Å; V667-P694 PolarHBondContact N-O 2.93Å; V667-E696 HydrophobicContact CG1-CB 3.96Å; V667-E696 HydrophobicContact CG1-CG 4.2Å; V667-E696 HydrophobicContact CG2-CG 4.05Å; V667-T814 HydrophobicContact CG1-CG2 4.18Å; V667-I815 HydrophobicContact CG1-CG1 4.04Å; V667-Y818 HydrophobicContact CB-CD1 4.29Å; V667-Y818 HydrophobicContact CB-CD2 3.88Å; V667-Y818 HydrophobicContact CB-CG 3.67Å; V667-Y818 HydrophobicContact CG2-CD1 4.42Å; V667-Y818 HydrophobicContact CG2-CD2 3.32Å; V667-Y818 HydrophobicContact CG2-CE2 3.76Å; V667-Y818 HydrophobicContact CG2-CG 3.68Å
668	G	87.6	Confident	87.9	Confident	2 Å²	2	25.1 Å²	25.1	2%	0.021	13%	0.131	C	C	.	.	S	Bend	trans	74.2	-176.1	178.9	0	0	0	0	0	113.7	E670 T671 Y818 F819	G668-E670 PolarHBondContact O-N 2.84Å; G668-T671 WeakPolarHBondContact O-CB 3.43Å; G668-T671 PolarHBondContact O-N 3.02Å; G668-T671 PolarHBondContact O-OG1 2.98Å; G668-Y818 VanDerWaalsContact CA-CD1 3.43Å; G668-F819 VanDerWaalsContact O-CZ 3.31Å; G668-F819 WeakPolarHBondContact O-CZ 3.3Å
669	K	89	Confident	88.1	Confident	121 Å²	121	25 Å²	25	53%	0.526	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	-61.2	-20.2	-160.7	-60.1	-169.2	-179.7	82.2	0	115.2	T671 L672 F819 E823	K669-T671 VanDerWaalsContact C-N 3.25Å; K669-T671 PolarHBondContact O-N 3.27Å; K669-L672 WeakPolarHBondContact O-CG 3.47Å; K669-L672 PolarHBondContact O-N 2.9Å; K669-F819 HydrophobicContact CG-CE1 4.11Å; K669-E823 IonicContact NZ-OE1 3.63Å; K669-E823 PolarHBondContact NZ-OE1 2.89Å; K669-E823 IonicContact NZ-OE2 2.65Å; K669-E823 PolarHBondContact NZ-OE2 2.91Å
670	E	87.2	Confident	88.4	Confident	109 Å²	109	24.1 Å²	24.1	51%	0.509	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	-67.5	-24.4	175.2	-61	-174.8	179.1	0	0	113	G668 L672 R674 F689 A693	G668-E670 PolarHBondContact O-N 2.84Å; E670-L672 VanDerWaalsContact C-N 3.26Å; E670-L672 PolarHBondContact O-N 2.85Å; E670-R674 VanDerWaalsContact O-CG 3.31Å; E670-R674 WeakPolarHBondContact O-CG 3.46Å; E670-F689 HydrophobicContact CB-CD1 4.39Å; E670-F689 HydrophobicContact CB-CE1 4.44Å; E670-F689 WeakPolarHBondContact O-CE1 3.38Å; E670-A693 WeakPolarHBondContact OE2-CB 3.37Å
671	T	91	Very high	88.8	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-74.5	-12.3	179	61.7	0	0	0	0	114.2	P666 G668 K669 R674 F676 F689 A792	P666-T671 HydrophobicContact CB-CG2 4.05Å; P666-T671 HydrophobicContact CG-CG2 4.24Å; P666-T671 WeakPolarHBondContact O-CG2 3.24Å; G668-T671 WeakPolarHBondContact O-CB 3.43Å; G668-T671 PolarHBondContact O-N 3.02Å; G668-T671 PolarHBondContact O-OG1 2.98Å; K669-T671 VanDerWaalsContact C-N 3.25Å; K669-T671 PolarHBondContact O-N 3.27Å; T671-R674 WeakPolarHBondContact O-CB 3.45Å; T671-R674 PolarHBondContact O-N 2.93Å; T671-F676 HydrophobicContact CG2-CE1 4.41Å; T671-F676 HydrophobicContact CG2-CZ 4.43Å; T671-F689 HydrophobicContact CG2-CE1 4.12Å; T671-F689 HydrophobicContact CG2-CZ 4.19Å; T671-A792 WeakPolarHBondContact O-CA 3.37Å; T671-A792 VanDerWaalsContact O-CB 3.28Å; T671-A792 WeakPolarHBondContact O-CB 3.18Å
672	L	90.6	Very high	89.2	Confident	35 Å²	35	22.8 Å²	22.8	18%	0.183	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	139.2	179.9	-52.7	177.9	0	0	0	110.4	K669 E670 R674 I762 E789 A792 F819	K669-L672 WeakPolarHBondContact O-CG 3.47Å; K669-L672 PolarHBondContact O-N 2.9Å; E670-L672 VanDerWaalsContact C-N 3.26Å; E670-L672 PolarHBondContact O-N 2.85Å; L672-R674 PolarHBondContact O-N 3.19Å; L672-I762 HydrophobicContact CD1-CD1 3.92Å; L672-I762 HydrophobicContact CD1-CG1 4.34Å; L672-I762 HydrophobicContact CD2-CD1 4.3Å; L672-I762 HydrophobicContact CD2-CG1 4.43Å; L672-I762 HydrophobicContact CD2-CG2 3.62Å; L672-E789 WeakPolarHBondContact CB-O 3.22Å; L672-A792 HydrophobicContact CD2-CB 4.47Å; L672-F819 HydrophobicContact CD1-CZ 4.47Å; L672-F819 HydrophobicContact CD2-CE2 4.08Å; L672-F819 HydrophobicContact CD2-CZ 3.85Å; L672-F819 HydrophobicContact CG-CZ 4.16Å
673	G	88.8	Confident	89.3	Confident	18 Å²	18	25.2 Å²	25.2	19%	0.186	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	-7.7	-173	0	0	0	0	0	114.7	I788 T791	G673-I788 WeakPolarHBondContact CA-O 3.37Å; G673-I788 PolarHBondContact N-O 2.92Å; G673-T791 PolarHBondContact N-O 3.38Å
674	R	91.2	Very high	89.2	Confident	37 Å²	37	25.9 Å²	25.9	14%	0.14	13%	0.133	C	C	.	.			trans	-98.4	152.9	-173.5	-54.3	-53.5	-53.6	-97.1	4.9	112.7	E670 T671 L672 F676 D684 D686 E687 F689 M793	E670-R674 VanDerWaalsContact O-CG 3.31Å; E670-R674 WeakPolarHBondContact O-CG 3.46Å; T671-R674 WeakPolarHBondContact O-CB 3.45Å; T671-R674 PolarHBondContact O-N 2.93Å; L672-R674 PolarHBondContact O-N 3.19Å; R674-F676 HydrophobicContact CB-CD1 4.09Å; R674-F676 HydrophobicContact CB-CE1 4.19Å; R674-D684 VanDerWaalsContact CA-OD2 3.31Å; R674-D684 WeakPolarHBondContact CA-OD2 3.48Å; R674-D684 IonicContact CZ-OD1 3.72Å; R674-D684 IonicContact CZ-OD2 3.42Å; R674-D684 IonicContact NE-OD1 2.68Å; R674-D684 IonicContact NE-OD2 2.75Å; R674-D684 PolarHBondContact NE-OD2 2.93Å; R674-D684 IonicContact NH2-OD1 2.81Å; R674-D684 PolarHBondContact NH2-OD1 3.31Å; R674-D684 IonicContact NH2-OD2 3.26Å; R674-D684 PolarHBondContact NH2-OD2 3.46Å; R674-D686 VanDerWaalsContact NH2-C 3.31Å; R674-D686 PolarHBondContact NH2-O 2.99Å; R674-D686 VanDerWaalsContact NH2-O 3.1Å; R674-E687 VanDerWaalsContact CZ-O 3.26Å; R674-E687 PolarHBondContact NH1-O 3.27Å; R674-E687 PolarHBondContact NH2-O 2.92Å; R674-F689 HydrophobicContact CB-CE1 4.44Å; R674-F689 HydrophobicContact CB-CZ 3.88Å; R674-F689 HydrophobicContact CG-CE1 3.93Å; R674-F689 HydrophobicContact CG-CZ 3.86Å; R674-M793 PolarHBondContact O-N 3.17Å
675	V	90.8	Very high	89	Confident	9 Å²	9	33.6 Å²	33.6	6%	0.055	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	128.6	171.3	-163.9	0	0	0	0	109.6	T682 I683 D684 Y779 M793 F795	V675-T682 WeakPolarHBondContact O-CA 3.3Å; V675-I683 HydrophobicContact CB-CG1 4.16Å; V675-I683 HydrophobicContact CG1-CD1 4.01Å; V675-I683 HydrophobicContact CG1-CG1 3.71Å; V675-I683 PolarHBondContact O-N 3.39Å; V675-D684 HydrophobicContact CB-CB 3.93Å; V675-D684 HydrophobicContact CG2-CB 4.03Å; V675-D684 PolarHBondContact N-OD2 3.34Å; V675-D684 PolarHBondContact O-N 2.72Å; V675-Y779 HydrophobicContact CG2-CD2 3.24Å; V675-Y779 HydrophobicContact CG2-CE2 3.37Å; V675-Y779 HydrophobicContact CG2-CG 4.01Å; V675-M793 WeakPolarHBondContact CA-O 3.49Å; V675-M793 HydrophobicContact CB-CB 4.39Å; V675-M793 HydrophobicContact CG1-CB 4.07Å; V675-M793 HydrophobicContact CG2-CB 4.14Å; V675-M793 HydrophobicContact CG2-SD 4.3Å; V675-F795 HydrophobicContact CG1-CD2 3.48Å; V675-F795 VanDerWaalsContact CG1-CD2 3.48Å; V675-F795 HydrophobicContact CG1-CE2 3.63Å
676	F	89.9	Confident	88.7	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	165.6	-179.4	43.8	-91.6	0	0	0	113	T671 R674 D681 F689 A792 M793 V794 F795 I815	T671-F676 HydrophobicContact CG2-CE1 4.41Å; T671-F676 HydrophobicContact CG2-CZ 4.43Å; R674-F676 HydrophobicContact CB-CD1 4.09Å; R674-F676 HydrophobicContact CB-CE1 4.19Å; F676-D681 CarbonylContact C-O 3.59Å; F676-D681 WeakPolarHBondContact CA-O 3.31Å; F676-D681 WeakPolarHBondContact CB-O 3.43Å; F676-F689 AromaticContact CD1-CE2 3.88Å; F676-F689 HydrophobicContact CD1-CE2 3.88Å; F676-F689 AromaticContact CD1-CZ 3.82Å; F676-F689 HydrophobicContact CD1-CZ 3.82Å; F676-F689 HydrophobicContact CE1-CE2 4.43Å; F676-F689 HydrophobicContact CE1-CZ 4.02Å; F676-F689 HydrophobicContact CG-CE2 4.36Å; F676-A792 HydrophobicContact CZ-CB 4.37Å; F676-M793 PolarHBondContact N-O 2.87Å; F676-V794 HydrophobicContact CD2-CG1 4.06Å; F676-V794 HydrophobicContact CD2-CG2 4.27Å; F676-V794 HydrophobicContact CE2-CB 4.29Å; F676-V794 HydrophobicContact CE2-CG1 4.1Å; F676-V794 HydrophobicContact CE2-CG2 3.56Å; F676-V794 HydrophobicContact CZ-CG2 4.09Å; F676-V794 WeakPolarHBondContact O-CA 3.4Å; F676-F795 PolarHBondContact O-N 2.93Å; F676-F795 VanDerWaalsContact O-N 3.08Å; F676-I815 HydrophobicContact CE2-CD1 3.41Å; F676-I815 VanDerWaalsContact CE2-CD1 3.41Å; F676-I815 HydrophobicContact CZ-CD1 3.55Å
677	N	90.1	Very high	88.4	Confident	20 Å²	20	45.2 Å²	45.2	11%	0.107	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-177.5	178.9	71.3	6	0	0	0	112.3	L679 G680 D681 I683	N677-L679 PolarHBondContact O-N 3.11Å; N677-L679 WeakPolarHBondContact OD1-CA 3.35Å; N677-L679 WeakPolarHBondContact OD1-CB 3.5Å; N677-L679 PolarHBondContact OD1-N 2.9Å; N677-G680 PolarHBondContact O-N 3.26Å; N677-G680 PolarHBondContact OD1-N 3.4Å; N677-G680 VanDerWaalsContact OD1-N 3.13Å; N677-D681 PolarHBondContact N-O 3.29Å; N677-D681 PolarHBondContact OD1-N 2.84Å; N677-D681 PolarHBondContact OD1-O 3.02Å; N677-I683 HydrophobicContact CB-CG2 4.24Å
678	V	89.9	Confident	88.2	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.012	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-14.8	175	69.1	0	0	0	0	115.5	M644 A804 R807 V808 T811	M644-V678 HydrophobicContact CB-CG1 4.17Å; V678-A804 HydrophobicContact CB-CB 4.43Å; V678-A804 HydrophobicContact CG1-CB 3.8Å; V678-R807 HydrophobicContact CG2-CB 3.52Å; V678-V808 HydrophobicContact CB-CB 4.41Å; V678-V808 HydrophobicContact CG2-CB 4.29Å; V678-T811 PolarHBondContact O-OG1 3.21Å
679	L	89.8	Confident	88.1	Confident	7 Å²	7	50.9 Å²	50.9	4%	0.037	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-6.6	177.8	-53.5	179.5	0	0	0	112.4	V627 M644 E645 I663 N677 D681 R695	V627-L679 HydrophobicContact CB-CD1 3.81Å; V627-L679 HydrophobicContact CB-CD2 3.65Å; V627-L679 HydrophobicContact CB-CG 4.39Å; V627-L679 HydrophobicContact CG1-CD2 3.78Å; V627-L679 HydrophobicContact CG2-CD1 3.61Å; V627-L679 HydrophobicContact CG2-CD2 3.91Å; V627-L679 HydrophobicContact CG2-CG 4.35Å; M644-L679 HydrophobicContact CB-CD2 3.95Å; M644-L679 HydrophobicContact CG-CD2 4.01Å; E645-L679 HydrophobicContact CG-CD1 4.24Å; E645-L679 WeakPolarHBondContact OE2-CD1 3.34Å; I663-L679 HydrophobicContact CD1-CD2 4.25Å; I663-L679 HydrophobicContact CG2-CD2 4.03Å; N677-L679 PolarHBondContact O-N 3.11Å; N677-L679 WeakPolarHBondContact OD1-CA 3.35Å; N677-L679 WeakPolarHBondContact OD1-CB 3.5Å; N677-L679 PolarHBondContact OD1-N 2.9Å; L679-D681 VanDerWaalsContact C-N 3.34Å; L679-D681 WeakPolarHBondContact CB-OD2 3.18Å; L679-R695 PolarHBondContact O-NH2 3.17Å
680	G	86.1	Confident	87.7	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.01	26%	0.257	C	S	.	.	S	Bend	trans	73.5	24.7	-172.2	0	0	0	0	0	113.8	P666 N677	P666-G680 VanDerWaalsContact CD-CA 3.48Å; N677-G680 PolarHBondContact O-N 3.26Å; N677-G680 PolarHBondContact OD1-N 3.4Å; N677-G680 VanDerWaalsContact OD1-N 3.13Å
681	D	86.7	Confident	87	Confident	48 Å²	48	52 Å²	52	26%	0.257	28%	0.278	S	S	.	.			trans	-90.3	137.8	167.3	-58	-62.6	0	0	0	109.5	K625 F676 N677 L679	K625-D681 VanDerWaalsContact CE-OD2 3.31Å; K625-D681 WeakPolarHBondContact CE-OD2 3.47Å; K625-D681 IonicContact NZ-OD1 2.75Å; K625-D681 PolarHBondContact NZ-OD1 3.5Å; K625-D681 IonicContact NZ-OD2 3.57Å; K625-D681 PolarHBondContact NZ-OD2 2.81Å; F676-D681 CarbonylContact C-O 3.59Å; F676-D681 WeakPolarHBondContact CA-O 3.31Å; F676-D681 WeakPolarHBondContact CB-O 3.43Å; N677-D681 PolarHBondContact N-O 3.29Å; N677-D681 PolarHBondContact OD1-N 2.84Å; N677-D681 PolarHBondContact OD1-O 3.02Å; L679-D681 VanDerWaalsContact C-N 3.34Å; L679-D681 WeakPolarHBondContact CB-OD2 3.18Å
682	T	89.3	Confident	86.4	Confident	34 Å²	34	59 Å²	59	21%	0.209	32%	0.316	C	S	.	.	B	Isolated β-bridge	trans	-74.2	138.7	-171.9	52.1	0	0	0	0	112.7	V675 F689	V675-T682 WeakPolarHBondContact O-CA 3.3Å; T682-F689 HydrophobicContact CG2-CD2 3.61Å; T682-F689 HydrophobicContact CG2-CE2 3.33Å; T682-F689 HydrophobicContact CG2-CZ 4.09Å
683	I	88.5	Confident	85.9	Confident	65 Å²	65	57.9 Å²	57.9	33%	0.333	31%	0.312	S	S	.	.			trans	-127	5.8	-179.5	68.6	178	0	0	0	112.9	V675 N677 L685 F795	V675-I683 HydrophobicContact CB-CG1 4.16Å; V675-I683 HydrophobicContact CG1-CD1 4.01Å; V675-I683 HydrophobicContact CG1-CG1 3.71Å; V675-I683 PolarHBondContact O-N 3.39Å; N677-I683 HydrophobicContact CB-CG2 4.24Å; I683-L685 VanDerWaalsContact C-N 3.3Å; I683-F795 HydrophobicContact CD1-CB 4.36Å
684	D	87.2	Confident	85.6	Confident	21 Å²	21	59.4 Å²	59.4	11%	0.112	32%	0.319	C	S	.	.	S	Bend	trans	-78.9	-8.1	173.8	46.1	28.7	0	0	0	114.2	R674 V675 D686	R674-D684 VanDerWaalsContact CA-OD2 3.31Å; R674-D684 WeakPolarHBondContact CA-OD2 3.48Å; R674-D684 IonicContact CZ-OD1 3.72Å; R674-D684 IonicContact CZ-OD2 3.42Å; R674-D684 IonicContact NE-OD1 2.68Å; R674-D684 IonicContact NE-OD2 2.75Å; R674-D684 PolarHBondContact NE-OD2 2.93Å; R674-D684 IonicContact NH2-OD1 2.81Å; R674-D684 PolarHBondContact NH2-OD1 3.31Å; R674-D684 IonicContact NH2-OD2 3.26Å; R674-D684 PolarHBondContact NH2-OD2 3.46Å; V675-D684 HydrophobicContact CB-CB 3.93Å; V675-D684 HydrophobicContact CG2-CB 4.03Å; V675-D684 PolarHBondContact N-OD2 3.34Å; V675-D684 PolarHBondContact O-N 2.72Å; D684-D686 PolarHBondContact O-N 2.79Å; D684-D686 PolarHBondContact OD1-N 2.69Å; D684-D686 VanDerWaalsContact OD1-N 3.07Å
685	L	83.9	Confident	85.4	Confident	174 Å²	174	60.6 Å²	60.6	91%	0.911	32%	0.323	S	S	*	.	S	Bend	trans	69.5	7.1	-172.4	-46.9	175.1	0	0	0	114.9	I683	I683-L685 VanDerWaalsContact C-N 3.3Å
686	D	84.5	Confident	85.3	Confident	85 Å²	85	60.4 Å²	60.4	46%	0.455	32%	0.321	S	S	.	.	S	Bend	trans	-85.4	162.9	168.3	-74	-49.1	0	0	0	110.4	R674 D684	R674-D686 VanDerWaalsContact NH2-C 3.31Å; R674-D686 PolarHBondContact NH2-O 2.99Å; R674-D686 VanDerWaalsContact NH2-O 3.1Å; D684-D686 PolarHBondContact O-N 2.79Å; D684-D686 PolarHBondContact OD1-N 2.69Å; D684-D686 VanDerWaalsContact OD1-N 3.07Å
687	E	85.1	Confident	85.3	Confident	159 Å²	159	61.7 Å²	61.7	74%	0.743	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-51.5	140.7	-175.1	-66.8	-69.5	173.5	0	0	112.9	R674	R674-E687 VanDerWaalsContact CZ-O 3.26Å; R674-E687 PolarHBondContact NH1-O 3.27Å; R674-E687 PolarHBondContact NH2-O 2.92Å
688	P	84.3	Confident	85.4	Confident	94 Å²	94	60.8 Å²	60.8	61%	0.61	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-58.1	157.4	176.4	-24.8	34.8	0	0	0	113.5
689	F	86.3	Confident	85.3	Confident	29 Å²	29	63 Å²	63	13%	0.127	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-58.5	148.8	168.4	-61.6	-76.2	0	0	0	111.4	P666 E670 T671 R674 F676 T682 A693	P666-F689 HydrophobicContact CB-CD1 4.29Å; P666-F689 HydrophobicContact CB-CD2 4.03Å; P666-F689 HydrophobicContact CB-CE1 4.48Å; P666-F689 HydrophobicContact CB-CE2 4.23Å; P666-F689 HydrophobicContact CB-CG 4.06Å; P666-F689 HydrophobicContact CB-CZ 4.45Å; P666-F689 HydrophobicContact CG-CD2 3.6Å; P666-F689 HydrophobicContact CG-CE1 4.47Å; P666-F689 HydrophobicContact CG-CE2 3.49Å; P666-F689 VanDerWaalsContact CG-CE2 3.49Å; P666-F689 HydrophobicContact CG-CG 4.15Å; P666-F689 HydrophobicContact CG-CZ 3.96Å; E670-F689 HydrophobicContact CB-CD1 4.39Å; E670-F689 HydrophobicContact CB-CE1 4.44Å; E670-F689 WeakPolarHBondContact O-CE1 3.38Å; T671-F689 HydrophobicContact CG2-CE1 4.12Å; T671-F689 HydrophobicContact CG2-CZ 4.19Å; R674-F689 HydrophobicContact CB-CE1 4.44Å; R674-F689 HydrophobicContact CB-CZ 3.88Å; R674-F689 HydrophobicContact CG-CE1 3.93Å; R674-F689 HydrophobicContact CG-CZ 3.86Å; F676-F689 AromaticContact CD1-CE2 3.88Å; F676-F689 HydrophobicContact CD1-CE2 3.88Å; F676-F689 AromaticContact CD1-CZ 3.82Å; F676-F689 HydrophobicContact CD1-CZ 3.82Å; F676-F689 HydrophobicContact CE1-CE2 4.43Å; F676-F689 HydrophobicContact CE1-CZ 4.02Å; F676-F689 HydrophobicContact CG-CE2 4.36Å; T682-F689 HydrophobicContact CG2-CD2 3.61Å; T682-F689 HydrophobicContact CG2-CE2 3.33Å; T682-F689 HydrophobicContact CG2-CZ 4.09Å; F689-A693 HydrophobicContact CB-CB 4.35Å
690	A	80.6	Confident	85.1	Confident	49 Å²	49	65.1 Å²	65.1	41%	0.405	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-62.9	150.3	176.2	0	0	0	0	0	111.6	D692 A693	A690-D692 WeakPolarHBondContact CB-OD1 3.49Å; A690-D692 PolarHBondContact O-N 3.47Å; A690-A693 HydrophobicContact CB-CB 4.45Å; A690-A693 VanDerWaalsContact O-CB 3.27Å; A690-A693 WeakPolarHBondContact O-CB 3.46Å; A690-A693 PolarHBondContact O-N 2.83Å; A690-A693 VanDerWaalsContact O-N 3.11Å
691	E	73.2	Confident	85	Confident	204 Å²	204	72.9 Å²	72.9	95%	0.953	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-23.1	-179.2	-65.6	-169	149.9	0	0	113
692	D	76.8	Confident	85	Confident	147 Å²	147	72 Å²	72	79%	0.786	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	3.5	176.9	62.6	-32.5	0	0	0	114.3	A690	A690-D692 WeakPolarHBondContact CB-OD1 3.49Å; A690-D692 PolarHBondContact O-N 3.47Å
693	A	80.9	Confident	84.9	Confident	12 Å²	12	70.9 Å²	70.9	10%	0.099	37%	0.371	C	S	.	.	S	Bend	trans	-58.2	139.5	173.4	0	0	0	0	0	110.8	E670 F689 A690 R695	E670-A693 WeakPolarHBondContact OE2-CB 3.37Å; F689-A693 HydrophobicContact CB-CB 4.35Å; A690-A693 HydrophobicContact CB-CB 4.45Å; A690-A693 VanDerWaalsContact O-CB 3.27Å; A690-A693 WeakPolarHBondContact O-CB 3.46Å; A690-A693 PolarHBondContact O-N 2.83Å; A690-A693 VanDerWaalsContact O-N 3.11Å; A693-R695 WeakPolarHBondContact O-CG 3.47Å; A693-R695 PolarHBondContact O-N 3.35Å
694	P	82.3	Confident	84.7	Confident	51 Å²	51	69.8 Å²	69.8	33%	0.331	37%	0.371	S	S	.	.			trans	-61.1	135	179.1	26	-33.2	0	0	0	110.2	P666 V667	P666-P694 WeakPolarHBondContact CA-O 3.46Å; V667-P694 HydrophobicContact CG2-CB 4.04Å; V667-P694 HydrophobicContact CG2-CG 4.45Å; V667-P694 WeakPolarHBondContact CG2-O 3.41Å; V667-P694 PolarHBondContact N-O 2.93Å
695	R	87.4	Confident	84.3	Confident	61 Å²	61	69.6 Å²	69.6	23%	0.23	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	162.8	176.1	-54.6	-173.7	75	96.7	-7.7	109.5	I582 S664 V665 L679 A693	I582-R695 WeakPolarHBondContact CD1-O 3.39Å; I582-R695 WeakPolarHBondContact CG1-O 3.45Å; S664-R695 VanDerWaalsContact O-CZ 3.31Å; S664-R695 PolarHBondContact O-NE 2.85Å; S664-R695 PolarHBondContact O-NH2 3.22Å; V665-R695 CarbonylContact O-C 3.59Å; V665-R695 WeakPolarHBondContact O-CA 2.95Å; V665-R695 VanDerWaalsContact O-CB 3.27Å; V665-R695 WeakPolarHBondContact O-CB 3.46Å; L679-R695 PolarHBondContact O-NH2 3.17Å; A693-R695 WeakPolarHBondContact O-CG 3.47Å; A693-R695 PolarHBondContact O-N 3.35Å
696	E	88	Confident	84.2	Confident	5 Å²	5	65 Å²	65	2%	0.023	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	153.9	171.5	-77.2	-169.3	127.2	0	0	111.4	S664 V665 V667 K700 T814	S664-E696 CarbonylContact C-O 3.56Å; S664-E696 WeakPolarHBondContact CA-O 3.48Å; V665-E696 PolarHBondContact N-O 3.12Å; V665-E696 PolarHBondContact O-N 2.78Å; V667-E696 HydrophobicContact CG1-CB 3.96Å; V667-E696 HydrophobicContact CG1-CG 4.2Å; V667-E696 HydrophobicContact CG2-CG 4.05Å; E696-K700 VanDerWaalsContact OE1-CE 3.32Å; E696-K700 WeakPolarHBondContact OE1-CE 3.47Å; E696-K700 IonicContact OE1-NZ 2.79Å; E696-K700 PolarHBondContact OE1-NZ 3.41Å; E696-K700 WeakPolarHBondContact OE2-CE 3.36Å; E696-K700 IonicContact OE2-NZ 3.34Å; E696-K700 PolarHBondContact OE2-NZ 3.01Å; E696-T814 HydrophobicContact CB-CG2 3.41Å; E696-T814 VanDerWaalsContact CB-CG2 3.41Å
697	P	90.6	Very high	84.2	Confident	28 Å²	28	63.7 Å²	63.7	18%	0.182	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	140.8	176.6	27.6	-34.6	0	0	0	111.9	A662 I663 S664 H699 K700 T814	A662-P697 HydrophobicContact CB-CB 3.98Å; I663-P697 CarbonylContact O-C 3.45Å; I663-P697 WeakPolarHBondContact O-CA 3.39Å; S664-P697 WeakPolarHBondContact OG-CA 3.04Å; P697-H699 PolarHBondContact O-N 2.92Å; P697-K700 HydrophobicContact CG-CG 4.4Å; P697-T814 WeakPolarHBondContact O-CG2 3.43Å; P697-T814 PolarHBondContact O-OG1 3.46Å
698	I	91.5	Very high	84.2	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.303	C	S	.	.	S	Bend	trans	-69.6	-24.3	173	74	174.2	0	0	0	111.9	I663 V665 K700 R807 L810 T814 R871	I663-I698 HydrophobicContact CB-CD1 3.79Å; I663-I698 HydrophobicContact CB-CG1 4Å; I663-I698 HydrophobicContact CB-CG2 4.47Å; I663-I698 HydrophobicContact CD1-CD1 3.96Å; I663-I698 HydrophobicContact CG1-CD1 4.32Å; I663-I698 HydrophobicContact CG2-CD1 4.21Å; I663-I698 HydrophobicContact CG2-CG2 4.26Å; I663-I698 PolarHBondContact O-N 3.45Å; V665-I698 HydrophobicContact CB-CG2 4.37Å; V665-I698 HydrophobicContact CG1-CG2 3.56Å; V665-I698 HydrophobicContact CG2-CG2 3.89Å; I698-K700 PolarHBondContact O-N 3.07Å; I698-R807 HydrophobicContact CD1-CB 3.91Å; I698-R807 HydrophobicContact CD1-CG 4.22Å; I698-L810 HydrophobicContact CB-CB 4.13Å; I698-L810 HydrophobicContact CG1-CB 4.49Å; I698-T814 WeakPolarHBondContact CA-OG1 3.29Å; I698-R871 PolarHBondContact O-NH1 3.45Å; I698-R871 PolarHBondContact O-NH2 3.15Å
699	H	88.9	Confident	84.1	Confident	49 Å²	49	53.4 Å²	53.4	23%	0.227	28%	0.284	C	S	.	.			trans	-98	79.1	178.1	-66	-69	0	0	0	110.6	E629 A662 P697	E629-H699 IonicContact OE2-CD2 3.22Å; E629-H699 IonicContact OE2-CE1 2.72Å; E629-H699 IonicContact OE2-NE2 3.59Å; E629-H699 PolarHBondContact OE2-NE2 3.22Å; A662-H699 HydrophobicContact CB-CB 3.97Å; P697-H699 PolarHBondContact O-N 2.92Å
700	K	85.3	Confident	83.4	Confident	51 Å²	51	55.7 Å²	55.7	22%	0.222	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-89.4	154	168.7	-76	176.8	159.3	-175.6	0	111	E696 P697 I698 E817 R871	E696-K700 VanDerWaalsContact OE1-CE 3.32Å; E696-K700 WeakPolarHBondContact OE1-CE 3.47Å; E696-K700 IonicContact OE1-NZ 2.79Å; E696-K700 PolarHBondContact OE1-NZ 3.41Å; E696-K700 WeakPolarHBondContact OE2-CE 3.36Å; E696-K700 IonicContact OE2-NZ 3.34Å; E696-K700 PolarHBondContact OE2-NZ 3.01Å; P697-K700 HydrophobicContact CG-CG 4.4Å; I698-K700 PolarHBondContact O-N 3.07Å; K700-E817 WeakPolarHBondContact CD-OE2 3.2Å; K700-R871 WeakPolarHBondContact O-CD 3.34Å
701	K	84.5	Confident	82.8	Confident	164 Å²	164	56.2 Å²	56.2	71%	0.713	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-77.3	154.9	162	-63.8	-175.7	176.3	-176	0	108.5	D145	D145-K701 IonicContact OD2-NZ 3.59Å; D145-K701 PolarHBondContact OD2-NZ 3.31Å
702	A	86.9	Confident	82.9	Confident	29 Å²	29	49.9 Å²	49.9	24%	0.24	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-64.4	151.8	173.3	0	0	0	0	0	110.6	E870 R871	A702-E870 HydrophobicContact CB-CB 4.23Å; A702-R871 HydrophobicContact CB-CG 4.24Å
703	P	86	Confident	83.2	Confident	12 Å²	12	46.9 Å²	46.9	8%	0.078	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-55.3	140.9	176.2	-25.5	35.1	0	0	0	111.6	E707 L708 T873 T875	P703-E707 HydrophobicContact CB-CB 4.46Å; P703-L708 HydrophobicContact CB-CD2 4.13Å; P703-T873 HydrophobicContact CG-CG2 3.89Å; P703-T875 HydrophobicContact CB-CG2 3.67Å; P703-T875 HydrophobicContact CG-CG2 3.67Å
704	A	84.6	Confident	83.6	Confident	42 Å²	42	48.1 Å²	48.1	35%	0.347	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-65.7	154.3	-170	0	0	0	0	0	112.3	D706 E707 L708	A704-D706 PolarHBondContact O-N 3.08Å; A704-E707 HydrophobicContact CB-CG 4.13Å; A704-E707 PolarHBondContact N-OE2 2.87Å; A704-E707 WeakPolarHBondContact O-CB 3.42Å; A704-E707 PolarHBondContact O-N 3.16Å; A704-L708 PolarHBondContact O-N 3.26Å
705	F	78.6	Confident	83.9	Confident	17 Å²	17	46.1 Å²	46.1	8%	0.075	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49	-33.7	-176.9	-179	-96.7	0	0	0	113.9	V174 V272 R273 V276	V174-F705 HydrophobicContact CG2-CE1 4.36Å; V272-F705 HydrophobicContact CB-CE2 4.13Å; V272-F705 HydrophobicContact CG1-CE2 3.96Å; R273-F705 HydrophobicContact CB-CD2 4.31Å; R273-F705 HydrophobicContact CB-CE2 3.69Å; R273-F705 HydrophobicContact CB-CZ 3.83Å; R273-F705 WeakPolarHBondContact CD-O 3.46Å; R273-F705 HydrophobicContact CG-CE1 4.31Å; R273-F705 HydrophobicContact CG-CE2 4.31Å; R273-F705 HydrophobicContact CG-CZ 4.01Å; R273-F705 PolarHBondContact NH1-O 3.21Å; V276-F705 HydrophobicContact CB-CZ 4.14Å; V276-F705 HydrophobicContact CG1-CZ 4.47Å; V276-F705 HydrophobicContact CG2-CZ 3.96Å
706	D	82.2	Confident	84.1	Confident	78 Å²	78	45.2 Å²	45.2	42%	0.417	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-12.5	178.6	78.8	-62.8	0	0	0	114.6	R273 A704 K876	R273-D706 VanDerWaalsContact NH1-CA 3.26Å; R273-D706 PolarHBondContact NH1-O 2.79Å; R273-D706 PolarHBondContact NH2-O 3.24Å; A704-D706 PolarHBondContact O-N 3.08Å; D706-K876 WeakPolarHBondContact O-CE 3.23Å; D706-K876 PolarHBondContact O-NZ 3.2Å
707	E	84.3	Confident	84.2	Confident	56 Å²	56	45 Å²	45	26%	0.262	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-27.9	177	-68.2	-171.7	106.4	0	0	114.7	P703 A704 K876 K877	P703-E707 HydrophobicContact CB-CB 4.46Å; A704-E707 HydrophobicContact CB-CG 4.13Å; A704-E707 PolarHBondContact N-OE2 2.87Å; A704-E707 WeakPolarHBondContact O-CB 3.42Å; A704-E707 PolarHBondContact O-N 3.16Å; E707-K876 WeakPolarHBondContact O-CB 3.45Å; E707-K876 WeakPolarHBondContact O-CD 3.38Å; E707-K876 VanDerWaalsContact O-CG 3.27Å; E707-K876 WeakPolarHBondContact O-CG 3.38Å; E707-K876 PolarHBondContact O-N 3.33Å; E707-K877 IonicContact OE1-NZ 3.94Å; E707-K877 PolarHBondContact OE1-NZ 2.9Å
708	L	84.3	Confident	84.3	Confident	6 Å²	6	43.7 Å²	43.7	3%	0.031	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-55.4	153.7	-179.8	-58.2	168.4	0	0	0	113.5	E269 R273 P703 A704 T873	E269-L708 HydrophobicContact CB-CD1 3.85Å; R273-L708 VanDerWaalsContact CZ-O 3.29Å; R273-L708 PolarHBondContact NH1-O 3.16Å; P703-L708 HydrophobicContact CB-CD2 4.13Å; A704-L708 PolarHBondContact O-N 3.26Å; L708-T873 HydrophobicContact CD2-CG2 3.63Å
709	S	83	Confident	84.4	Confident	31 Å²	31	43.7 Å²	43.7	22%	0.217	24%	0.241	C	C	.	.			trans	-82	159.4	166.1	-169.4	0	0	0	0	111.5	S711 S874	S709-S711 PolarHBondContact OG-N 3.37Å; S709-S711 PolarHBondContact OG-OG 3.14Å; S709-S874 PolarHBondContact N-O 3.36Å
710	T	72.3	Confident	84.8	Confident	78 Å²	78	41.3 Å²	41.3	48%	0.479	23%	0.23	S	C	.	.			trans	-118.9	-2.3	170.3	56.9	0	0	0	0	113.1	R273 E277	R273-T710 HydrophobicContact CG-CG2 4.13Å; E277-T710 HydrophobicContact CG-CG2 4.16Å
711	S	67.3	Low	85.2	Confident	60 Å²	60	39 Å²	39	42%	0.42	22%	0.22	S	C	.	.			trans	-77.1	137	168.8	55.5	0	0	0	0	110.6	S709	S709-S711 PolarHBondContact OG-N 3.37Å; S709-S711 PolarHBondContact OG-OG 3.14Å
712	S	74.4	Confident	85.7	Confident	71 Å²	71	31.2 Å²	31.2	50%	0.497	19%	0.186	S	C	.	.			trans	-105.9	96.7	167.6	-64.9	0	0	0	0	107.9
713	E	83.4	Confident	86	Confident	84 Å²	84	29.9 Å²	29.9	39%	0.393	18%	0.175	S	C	.	.			trans	-101	149.3	176	-75.6	173.9	-149.1	0	0	110.4	L729 K730	E713-L729 WeakPolarHBondContact O-CA 3.46Å; E713-K730 HydrophobicContact CB-CB 4.44Å; E713-K730 HydrophobicContact CB-CD 3.95Å; E713-K730 HydrophobicContact CB-CG 4.24Å; E713-K730 PolarHBondContact O-N 3.46Å; E713-K730 IonicContact OE2-NZ 2.71Å; E713-K730 PolarHBondContact OE2-NZ 3.06Å
714	I	89.9	Confident	86.4	Confident	38 Å²	38	29.3 Å²	29.3	20%	0.195	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	138.9	173.6	-62.7	170.9	0	0	0	109	P727 Y728 A933 I938 V939	I714-P727 HydrophobicContact CD1-CB 4.2Å; I714-P727 HydrophobicContact CG1-CB 4.44Å; I714-P727 HydrophobicContact CG2-CB 3.9Å; I714-Y728 CarbonylContact C-O 3.54Å; I714-Y728 VanDerWaalsContact CA-O 3.31Å; I714-Y728 WeakPolarHBondContact CA-O 3.46Å; I714-A933 HydrophobicContact CG1-CB 4.3Å; I714-I938 HydrophobicContact CD1-CG2 4.15Å; I714-I938 HydrophobicContact CG1-CG2 3.88Å; I714-V939 HydrophobicContact CD1-CB 4.16Å; I714-V939 HydrophobicContact CD1-CG1 3.39Å
715	L	88.4	Confident	86.9	Confident	8 Å²	8	27.4 Å²	27.4	4%	0.042	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	102.4	164.2	-179.9	61.8	0	0	0	107.4	T717 Y728 K730 I755 L828 T881	L715-T717 PolarHBondContact O-N 3.01Å; L715-Y728 PolarHBondContact N-O 3.41Å; L715-K730 HydrophobicContact CB-CG 4.11Å; L715-I755 HydrophobicContact CD1-CD1 4.12Å; L715-I755 HydrophobicContact CD1-CG1 4.27Å; L715-I755 HydrophobicContact CD2-CD1 3.88Å; L715-I755 HydrophobicContact CG-CD1 3.93Å; L715-L828 HydrophobicContact CD2-CD2 3.78Å; L715-T881 HydrophobicContact CD2-CG2 3.86Å
716	E	91	Very high	87.5	Confident	43 Å²	43	26.6 Å²	26.6	20%	0.201	15%	0.151	C	C	.	.			trans	-63.2	125.9	174	-175.1	175.3	93.2	0	0	108.8	H759 Y1007 V1010	E716-H759 IonicContact OE1-NE2 3.58Å; E716-Y1007 VanDerWaalsContact CG-OH 3.3Å; E716-Y1007 WeakPolarHBondContact CG-OH 3.44Å; E716-Y1007 WeakPolarHBondContact OE1-CE1 3.41Å; E716-Y1007 PolarHBondContact OE1-OH 2.84Å; E716-V1010 HydrophobicContact CB-CG2 4.26Å; E716-V1010 HydrophobicContact CG-CG2 3.68Å; E716-V1010 WeakPolarHBondContact OE2-CB 3.47Å; E716-V1010 VanDerWaalsContact OE2-CG2 3.25Å; E716-V1010 WeakPolarHBondContact OE2-CG2 3.24Å; E716-V1010 PolarHBondContact OE2-N 3.33Å
717	T	91.8	Very high	88	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.132	C	C	.	.			trans	-99	-14.8	-178	62.8	0	0	0	0	112.7	L715 I719 I722 D723 Y728 L751 N754	L715-T717 PolarHBondContact O-N 3.01Å; T717-I719 PolarHBondContact O-N 3.13Å; T717-I719 PolarHBondContact OG1-N 3.01Å; T717-I722 HydrophobicContact CG2-CG2 3.86Å; T717-D723 WeakPolarHBondContact CB-OD1 3.42Å; T717-D723 PolarHBondContact N-OD1 3.3Å; T717-D723 PolarHBondContact N-OD2 3.09Å; T717-D723 PolarHBondContact OG1-OD1 3.33Å; T717-D723 PolarHBondContact OG1-OD2 2.81Å; T717-Y728 HydrophobicContact CG2-CD2 3.67Å; T717-Y728 HydrophobicContact CG2-CE2 3.98Å; T717-Y728 HydrophobicContact CG2-CG 4.41Å; T717-L751 HydrophobicContact CG2-CD2 3.56Å; T717-N754 VanDerWaalsContact O-CB 3.29Å; T717-N754 WeakPolarHBondContact O-CB 3.48Å; T717-N754 PolarHBondContact O-ND2 3.2Å
718	G	92	Very high	88.4	Confident	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	72.4	6	-170.3	0	0	0	0	0	113.4	D723 Q992 Y1007 V1008	G718-D723 WeakPolarHBondContact CA-OD2 3.42Å; G718-D723 PolarHBondContact N-OD2 2.83Å; G718-Q992 PolarHBondContact O-NE2 3.44Å; G718-Y1007 VanDerWaalsContact CA-CE2 3.48Å; G718-V1008 CarbonylContact C-O 3.55Å; G718-V1008 WeakPolarHBondContact CA-O 3.24Å; G718-V1008 PolarHBondContact O-N 2.7Å
719	I	94.1	Very high	88.7	Confident	0 Å²	0	21 Å²	21	0%	0	12%	0.123	C	C	.	.			trans	-111.7	105.4	-171.9	-60.8	176.4	0	0	0	109	T717 V721 I722 D723 L747 E750 L751 P922 F994	T717-I719 PolarHBondContact O-N 3.13Å; T717-I719 PolarHBondContact OG1-N 3.01Å; I719-V721 VanDerWaalsContact C-N 3.31Å; I719-V721 HydrophobicContact CG2-CG1 4.13Å; I719-V721 PolarHBondContact O-N 3.44Å; I719-I722 HydrophobicContact CB-CD1 4.32Å; I719-I722 HydrophobicContact CD1-CD1 4.39Å; I719-I722 HydrophobicContact CG2-CD1 4.12Å; I719-I722 HydrophobicContact CG2-CG1 4.38Å; I719-I722 PolarHBondContact O-N 3.38Å; I719-D723 PolarHBondContact N-OD2 2.8Å; I719-D723 VanDerWaalsContact N-OD2 3.17Å; I719-D723 PolarHBondContact O-N 2.95Å; I719-L747 HydrophobicContact CD1-CD1 3.74Å; I719-E750 HydrophobicContact CD1-CB 4.33Å; I719-E750 HydrophobicContact CD1-CG 4.03Å; I719-E750 HydrophobicContact CG1-CG 4.5Å; I719-L751 HydrophobicContact CD1-CD2 3.81Å; I719-L751 HydrophobicContact CD1-CG 3.93Å; I719-P922 HydrophobicContact CG2-CG 4.04Å; I719-F994 HydrophobicContact CD1-CE1 4.17Å; I719-F994 HydrophobicContact CD1-CZ 3.86Å; I719-F994 HydrophobicContact CG1-CE1 4.15Å; I719-F994 HydrophobicContact CG1-CZ 4.31Å; I719-F994 HydrophobicContact CG2-CE1 4.12Å; I719-F994 HydrophobicContact CG2-CZ 4.1Å
720	K	95.9	Very high	88.9	Confident	0 Å²	0	22 Å²	22	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-43.9	-47	-169.1	-78	-170.9	-60	-66.4	0	115.5	L724 F989 Q992 V1008 T1013 F1017 V1036 G1037	K720-L724 WeakPolarHBondContact O-CB 3.31Å; K720-L724 PolarHBondContact O-N 2.81Å; K720-F989 HydrophobicContact CD-CD1 4.37Å; K720-F989 HydrophobicContact CD-CE1 3.86Å; K720-F989 HydrophobicContact CD-CE2 4.21Å; K720-F989 HydrophobicContact CD-CZ 3.77Å; K720-F989 WeakPolarHBondContact CE-O 3.47Å; K720-Q992 VanDerWaalsContact N-OE1 3.08Å; K720-V1008 HydrophobicContact CD-CG1 4.22Å; K720-V1008 HydrophobicContact CD-CG2 4.46Å; K720-V1008 HydrophobicContact CG-CB 3.98Å; K720-V1008 HydrophobicContact CG-CG1 3.94Å; K720-V1008 HydrophobicContact CG-CG2 4.22Å; K720-T1013 HydrophobicContact CB-CG2 4.05Å; K720-T1013 HydrophobicContact CG-CG2 3.94Å; K720-F1017 HydrophobicContact CB-CE2 4.15Å; K720-F1017 HydrophobicContact CD-CE2 4.17Å; K720-F1017 HydrophobicContact CG-CE2 4.49Å; K720-V1036 PolarHBondContact NZ-O 3.32Å; K720-G1037 VanDerWaalsContact CE-O 3.31Å; K720-G1037 WeakPolarHBondContact CE-O 3.44Å; K720-G1037 PolarHBondContact NZ-O 3.03Å
721	V	94.4	Very high	89.6	Confident	3 Å²	3	18.7 Å²	18.7	2%	0.018	11%	0.105	C	C	.	.	H	α-helix	trans	-71.2	-33.3	-177.9	58.1	0	0	0	0	113.6	I719 L725 P922 V924 L990	I719-V721 VanDerWaalsContact C-N 3.31Å; I719-V721 HydrophobicContact CG2-CG1 4.13Å; I719-V721 PolarHBondContact O-N 3.44Å; V721-L725 PolarHBondContact O-N 2.95Å; V721-P922 HydrophobicContact CG1-CG 3.72Å; V721-V924 HydrophobicContact CG1-CB 4.03Å; V721-V924 HydrophobicContact CG1-CG2 4.29Å; V721-V924 HydrophobicContact CG2-CB 3.92Å; V721-V924 HydrophobicContact CG2-CG1 3.81Å; V721-L990 HydrophobicContact CB-CB 4.21Å; V721-L990 HydrophobicContact CB-CD2 3.75Å; V721-L990 HydrophobicContact CG2-CB 4.5Å; V721-L990 HydrophobicContact CG2-CD2 3.95Å
722	I	94	Very high	90.6	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-74.3	-56.2	175.6	-69.8	166.1	0	0	0	108.8	T717 I719 L724 L725 A726 P727 Y728 L747 L751	T717-I722 HydrophobicContact CG2-CG2 3.86Å; I719-I722 HydrophobicContact CB-CD1 4.32Å; I719-I722 HydrophobicContact CD1-CD1 4.39Å; I719-I722 HydrophobicContact CG2-CD1 4.12Å; I719-I722 HydrophobicContact CG2-CG1 4.38Å; I719-I722 PolarHBondContact O-N 3.38Å; I722-L724 VanDerWaalsContact C-N 3.31Å; I722-L724 PolarHBondContact O-N 2.64Å; I722-L725 PolarHBondContact O-N 3.48Å; I722-A726 CarbonylContact O-C 3.59Å; I722-A726 WeakPolarHBondContact O-CA 3.25Å; I722-A726 PolarHBondContact O-N 3.34Å; I722-P727 WeakPolarHBondContact O-CA 3.36Å; I722-P727 WeakPolarHBondContact O-CD 3.45Å; I722-Y728 HydrophobicContact CD1-CE2 4.35Å; I722-Y728 WeakPolarHBondContact CD1-OH 3.31Å; I722-Y728 HydrophobicContact CG2-CD1 3.83Å; I722-Y728 HydrophobicContact CG2-CD2 4.19Å; I722-Y728 HydrophobicContact CG2-CE1 3.54Å; I722-Y728 HydrophobicContact CG2-CE2 3.93Å; I722-Y728 HydrophobicContact CG2-CG 4.15Å; I722-L747 HydrophobicContact CD1-CD1 3.94Å; I722-L747 HydrophobicContact CD1-CD2 4.45Å; I722-L751 HydrophobicContact CD1-CD1 4.45Å; I722-L751 HydrophobicContact CD1-CD2 4.22Å
723	D	94.3	Very high	91.4	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.005	7%	0.065	C	C	.	.	H	α-helix	trans	-61.9	-37.8	-173.4	-69.2	-22.1	0	0	0	112.3	T717 G718 I719 H943 V1010	T717-D723 WeakPolarHBondContact CB-OD1 3.42Å; T717-D723 PolarHBondContact N-OD1 3.3Å; T717-D723 PolarHBondContact N-OD2 3.09Å; T717-D723 PolarHBondContact OG1-OD1 3.33Å; T717-D723 PolarHBondContact OG1-OD2 2.81Å; G718-D723 WeakPolarHBondContact CA-OD2 3.42Å; G718-D723 PolarHBondContact N-OD2 2.83Å; I719-D723 PolarHBondContact N-OD2 2.8Å; I719-D723 VanDerWaalsContact N-OD2 3.17Å; I719-D723 PolarHBondContact O-N 2.95Å; D723-H943 PolarHBondContact O-CE1 3.32Å; D723-H943 PolarHBondContact O-NE2 3.03Å; D723-V1010 HydrophobicContact CB-CG2 3.81Å
724	L	95	Very high	91.8	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-71.8	-50.4	176.8	-172	73.1	0	0	0	112.9	K720 I722 L934 H943 V946 A947 V950 T1013 V1014 F1017	K720-L724 WeakPolarHBondContact O-CB 3.31Å; K720-L724 PolarHBondContact O-N 2.81Å; I722-L724 VanDerWaalsContact C-N 3.31Å; I722-L724 PolarHBondContact O-N 2.64Å; L724-L934 WeakPolarHBondContact O-CD1 3.32Å; L724-H943 PolarHBondContact O-NE2 3.15Å; L724-H943 VanDerWaalsContact O-NE2 3.08Å; L724-V946 HydrophobicContact CD1-CG1 4.14Å; L724-A947 HydrophobicContact CD1-CB 4.18Å; L724-A947 HydrophobicContact CG-CB 4.11Å; L724-A947 WeakPolarHBondContact O-CB 3.44Å; L724-V950 HydrophobicContact CD2-CB 4.29Å; L724-V950 HydrophobicContact CD2-CG1 4.18Å; L724-V950 HydrophobicContact CD2-CG2 4.06Å; L724-T1013 HydrophobicContact CB-CG2 3.96Å; L724-T1013 HydrophobicContact CD1-CG2 4.49Å; L724-V1014 HydrophobicContact CD1-CG2 3.98Å; L724-F1017 HydrophobicContact CD2-CB 4.14Å; L724-F1017 HydrophobicContact CD2-CD1 4.16Å; L724-F1017 HydrophobicContact CD2-CD2 3.61Å; L724-F1017 HydrophobicContact CD2-CE2 4.03Å; L724-F1017 HydrophobicContact CD2-CG 3.69Å; L724-F1017 HydrophobicContact CD2-CZ 4.47Å
725	L	93.7	Very high	91.9	Very high	1 Å²	1	7.1 Å²	7.1	1%	0.005	4%	0.037	C	C	.	.	H	α-helix	trans	-113.8	-23.9	-160.1	-57.8	179.9	0	0	0	115.2	V721 I722 P727 P926 A947 V950 Q951 L990	V721-L725 PolarHBondContact O-N 2.95Å; I722-L725 PolarHBondContact O-N 3.48Å; L725-P727 VanDerWaalsContact C-CD 3.42Å; L725-P926 HydrophobicContact CD1-CB 3.27Å; L725-A947 HydrophobicContact CD2-CB 3.85Å; L725-V950 HydrophobicContact CD1-CG1 4.04Å; L725-V950 HydrophobicContact CD2-CB 4.41Å; L725-V950 HydrophobicContact CD2-CG1 4Å; L725-Q951 HydrophobicContact CD2-CG 3.96Å; L725-L990 HydrophobicContact CD1-CD1 4.38Å; L725-L990 HydrophobicContact CD1-CD2 3.99Å
726	A	92.5	Very high	91.9	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.035	C	C	.	.	S	Bend	trans	-134.5	47.2	175	0	0	0	0	0	112.5	I722 Y728	I722-A726 CarbonylContact O-C 3.59Å; I722-A726 WeakPolarHBondContact O-CA 3.25Å; I722-A726 PolarHBondContact O-N 3.34Å; A726-Y728 VanDerWaalsContact O-CD1 3.23Å; A726-Y728 WeakPolarHBondContact O-CD1 3.47Å; A726-Y728 PolarHBondContact O-N 2.95Å
727	P	93	Very high	91.7	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.028	C	C	.	.	P	Polyproline II helix	trans	-55.3	134.4	-170.5	13.8	-26.1	0	0	0	112.2	I714 I722 L725 S931 A933 L934 V939	I714-P727 HydrophobicContact CD1-CB 4.2Å; I714-P727 HydrophobicContact CG1-CB 4.44Å; I714-P727 HydrophobicContact CG2-CB 3.9Å; I722-P727 WeakPolarHBondContact O-CA 3.36Å; I722-P727 WeakPolarHBondContact O-CD 3.45Å; L725-P727 VanDerWaalsContact C-CD 3.42Å; P727-S931 VanDerWaalsContact O-CB 3.32Å; P727-S931 WeakPolarHBondContact O-CB 3.37Å; P727-S931 PolarHBondContact O-OG 2.92Å; P727-A933 HydrophobicContact CB-CB 4.18Å; P727-A933 HydrophobicContact CG-CB 4Å; P727-A933 WeakPolarHBondContact O-CB 3.45Å; P727-L934 HydrophobicContact CG-CD1 4.36Å; P727-V939 HydrophobicContact CB-CG1 4.49Å; P727-V939 HydrophobicContact CG-CG1 3.75Å
728	Y	92.6	Very high	91	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	141.9	-177.8	-61.5	-14.6	0	0	0	110.7	I714 L715 T717 I722 A726 V734 L751 I883 T909	I714-Y728 CarbonylContact C-O 3.54Å; I714-Y728 VanDerWaalsContact CA-O 3.31Å; I714-Y728 WeakPolarHBondContact CA-O 3.46Å; L715-Y728 PolarHBondContact N-O 3.41Å; T717-Y728 HydrophobicContact CG2-CD2 3.67Å; T717-Y728 HydrophobicContact CG2-CE2 3.98Å; T717-Y728 HydrophobicContact CG2-CG 4.41Å; I722-Y728 HydrophobicContact CD1-CE2 4.35Å; I722-Y728 WeakPolarHBondContact CD1-OH 3.31Å; I722-Y728 HydrophobicContact CG2-CD1 3.83Å; I722-Y728 HydrophobicContact CG2-CD2 4.19Å; I722-Y728 HydrophobicContact CG2-CE1 3.54Å; I722-Y728 HydrophobicContact CG2-CE2 3.93Å; I722-Y728 HydrophobicContact CG2-CG 4.15Å; A726-Y728 VanDerWaalsContact O-CD1 3.23Å; A726-Y728 WeakPolarHBondContact O-CD1 3.47Å; A726-Y728 PolarHBondContact O-N 2.95Å; Y728-V734 HydrophobicContact CD1-CG1 4.05Å; Y728-V734 HydrophobicContact CD1-CG2 3.61Å; Y728-V734 HydrophobicContact CD2-CG2 3.99Å; Y728-V734 HydrophobicContact CE1-CB 4.3Å; Y728-V734 HydrophobicContact CE1-CG1 3.45Å; Y728-V734 VanDerWaalsContact CE1-CG1 3.45Å; Y728-V734 HydrophobicContact CE1-CG2 3.85Å; Y728-V734 HydrophobicContact CE2-CG2 4.21Å; Y728-V734 HydrophobicContact CG-CG2 3.69Å; Y728-L751 HydrophobicContact CE2-CD1 4.25Å; Y728-L751 HydrophobicContact CE2-CD2 4.14Å; Y728-I883 HydrophobicContact CD2-CD1 4.15Å; Y728-I883 HydrophobicContact CE2-CD1 3.64Å; Y728-I883 HydrophobicContact CE2-CG1 4.46Å; Y728-T909 WeakPolarHBondContact CE1-OG1 3.2Å; Y728-T909 PolarHBondContact OH-OG1 3.31Å
729	L	89.6	Confident	90	Very high	23 Å²	23	8.9 Å²	8.9	12%	0.12	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	140.3	171	-69.8	175.4	0	0	0	110.3	E713 G731 G732 T881 R932 A933 I938	E713-L729 WeakPolarHBondContact O-CA 3.46Å; L729-G731 PolarHBondContact O-N 3.47Å; L729-G732 WeakPolarHBondContact O-CA 3.39Å; L729-G732 PolarHBondContact O-N 2.81Å; L729-T881 VanDerWaalsContact O-CG2 3.31Å; L729-T881 WeakPolarHBondContact O-CG2 3.17Å; L729-R932 HydrophobicContact CD1-CB 4.44Å; L729-A933 HydrophobicContact CD2-CB 3.63Å; L729-A933 HydrophobicContact CG-CB 3.97Å; L729-I938 HydrophobicContact CD2-CG2 4.05Å
730	K	87.6	Confident	89	Confident	52 Å²	52	13.1 Å²	13.1	23%	0.226	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	125.4	162.9	-68.9	-168.5	-179.4	-172.7	0	109.9	E713 L715 G732 D826 S874 T881	E713-K730 HydrophobicContact CB-CB 4.44Å; E713-K730 HydrophobicContact CB-CD 3.95Å; E713-K730 HydrophobicContact CB-CG 4.24Å; E713-K730 PolarHBondContact O-N 3.46Å; E713-K730 IonicContact OE2-NZ 2.71Å; E713-K730 PolarHBondContact OE2-NZ 3.06Å; L715-K730 HydrophobicContact CB-CG 4.11Å; K730-G732 PolarHBondContact O-N 2.94Å; K730-D826 WeakPolarHBondContact CD-OD2 3.28Å; K730-D826 WeakPolarHBondContact CE-OD2 3.49Å; K730-D826 IonicContact NZ-OD2 2.59Å; K730-D826 PolarHBondContact NZ-OD2 2.82Å; K730-S874 PolarHBondContact O-OG 3.26Å; K730-T881 WeakPolarHBondContact CA-OG1 3.47Å
731	G	87.1	Confident	88	Confident	8 Å²	8	16.2 Å²	16.2	8%	0.082	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	2.3	-173	0	0	0	0	0	114.4	L729 S874 S879 V880 T881	L729-G731 PolarHBondContact O-N 3.47Å; G731-S874 VanDerWaalsContact CA-OG 3.29Å; G731-S874 WeakPolarHBondContact CA-OG 3.43Å; G731-S874 PolarHBondContact N-OG 3.45Å; G731-S879 PolarHBondContact N-OG 2.8Å; G731-V880 WeakPolarHBondContact CA-O 3.12Å; G731-T881 PolarHBondContact N-OG1 2.75Å
732	G	87.7	Confident	87.5	Confident	4 Å²	4	16.2 Å²	16.2	4%	0.041	13%	0.132	C	C	.	.			trans	-78.1	168.9	-179.3	0	0	0	0	0	113.2	L729 K730 T881 S882	L729-G732 WeakPolarHBondContact O-CA 3.39Å; L729-G732 PolarHBondContact O-N 2.81Å; K730-G732 PolarHBondContact O-N 2.94Å; G732-T881 WeakPolarHBondContact O-CA 3.23Å; G732-S882 PolarHBondContact O-N 2.69Å
733	K	91.7	Very high	87	Confident	6 Å²	6	17.5 Å²	17.5	3%	0.026	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	116.7	175.9	-63.7	150.1	177.5	68.6	0	110.3	Q869 I872 S882 H904 L905 D906 S907	K733-Q869 WeakPolarHBondContact CE-O 3.44Å; K733-Q869 PolarHBondContact NZ-O 3.08Å; K733-I872 HydrophobicContact CG-CG2 3.91Å; K733-I872 PolarHBondContact NZ-O 2.68Å; K733-S882 WeakPolarHBondContact CA-OG 3.37Å; K733-S882 WeakPolarHBondContact CG-OG 3.44Å; K733-H904 HydrophobicContact CD-CB 3.9Å; K733-H904 WeakPolarHBondContact CD-O 3.47Å; K733-L905 HydrophobicContact CB-CD2 3.98Å; K733-D906 PolarHBondContact N-OD2 3.2Å; K733-D906 PolarHBondContact O-N 2.87Å; K733-S907 PolarHBondContact O-N 3.01Å; K733-S907 VanDerWaalsContact O-N 3.15Å
734	V	92.2	Very high	86.5	Confident	1 Å²	1	18.9 Å²	18.9	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	128.2	179.2	-168.9	0	0	0	0	109.9	Y728 S882 I883 Q884 S907	Y728-V734 HydrophobicContact CD1-CG1 4.05Å; Y728-V734 HydrophobicContact CD1-CG2 3.61Å; Y728-V734 HydrophobicContact CD2-CG2 3.99Å; Y728-V734 HydrophobicContact CE1-CB 4.3Å; Y728-V734 HydrophobicContact CE1-CG1 3.45Å; Y728-V734 VanDerWaalsContact CE1-CG1 3.45Å; Y728-V734 HydrophobicContact CE1-CG2 3.85Å; Y728-V734 HydrophobicContact CE2-CG2 4.21Å; Y728-V734 HydrophobicContact CG-CG2 3.69Å; V734-S882 WeakPolarHBondContact CG2-O 3.38Å; V734-S882 PolarHBondContact N-O 3.32Å; V734-I883 HydrophobicContact CB-CG1 4.15Å; V734-I883 HydrophobicContact CG2-CG1 4.04Å; V734-Q884 PolarHBondContact O-N 3.32Å; V734-S907 WeakPolarHBondContact CA-O 3.44Å; V734-S907 WeakPolarHBondContact CG2-OG 3.37Å
735	G	91	Very high	85.7	Confident	0 Å²	0	22 Å²	22	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	120.6	167.6	0	0	0	0	0	111.6	F737 Q884 S907 T908 T909	G735-F737 VanDerWaalsContact O-CD2 3.22Å; G735-F737 WeakPolarHBondContact O-CD2 3.46Å; G735-F737 VanDerWaalsContact O-CE2 3.29Å; G735-F737 WeakPolarHBondContact O-CE2 3.44Å; G735-Q884 WeakPolarHBondContact CA-O 3.35Å; G735-S907 PolarHBondContact N-O 2.84Å; G735-T908 WeakPolarHBondContact O-CA 3.45Å; G735-T909 PolarHBondContact O-N 3.12Å
736	L	89.3	Confident	85.3	Confident	1 Å²	1	24.6 Å²	24.6	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	99.6	-178.2	-173.7	67.8	0	0	0	112	K744 L747 I748 I883 Q884 A885 I886 T909 L911	L736-K744 HydrophobicContact CD2-CB 4.49Å; L736-K744 HydrophobicContact CD2-CD 4.31Å; L736-K744 HydrophobicContact CD2-CG 4.49Å; L736-K744 HydrophobicContact CG-CD 4.32Å; L736-K744 PolarHBondContact O-NZ 2.72Å; L736-L747 HydrophobicContact CD1-CD2 4.19Å; L736-I748 HydrophobicContact CD2-CD1 3.91Å; L736-I748 HydrophobicContact CD2-CG1 3.96Å; L736-I883 HydrophobicContact CB-CG2 4.13Å; L736-I883 HydrophobicContact CD2-CG2 4.16Å; L736-Q884 PolarHBondContact N-O 2.69Å; L736-A885 WeakPolarHBondContact O-CA 3.31Å; L736-I886 PolarHBondContact O-N 3.41Å; L736-T909 HydrophobicContact CD1-CG2 4.13Å; L736-L911 HydrophobicContact CD1-CD1 3.51Å; L736-L911 HydrophobicContact CG-CD1 4.48Å
737	F	86.2	Confident	85.2	Confident	11 Å²	11	24.7 Å²	24.7	5%	0.048	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	169	-173.2	-57	-91.9	0	0	0	112.5	G735 K744 I886 V888 F902 L905 T908 T909 N910 L911	G735-F737 VanDerWaalsContact O-CD2 3.22Å; G735-F737 WeakPolarHBondContact O-CD2 3.46Å; G735-F737 VanDerWaalsContact O-CE2 3.29Å; G735-F737 WeakPolarHBondContact O-CE2 3.44Å; F737-K744 VanDerWaalsContact C-CE 3.47Å; F737-K744 VanDerWaalsContact O-CE 3.29Å; F737-K744 WeakPolarHBondContact O-CE 3.5Å; F737-I886 HydrophobicContact CD1-CB 4.31Å; F737-I886 HydrophobicContact CE1-CB 3.88Å; F737-I886 HydrophobicContact CE1-CD1 4.39Å; F737-I886 HydrophobicContact CE1-CG1 4.4Å; F737-I886 HydrophobicContact CE1-CG2 4.33Å; F737-I886 HydrophobicContact CZ-CB 4.38Å; F737-I886 HydrophobicContact CZ-CD1 4.08Å; F737-I886 HydrophobicContact CZ-CG1 4.42Å; F737-V888 HydrophobicContact CD1-CG2 4.22Å; F737-V888 HydrophobicContact CE1-CG2 4.07Å; F737-F902 AromaticContact CE1-CE1 3.54Å; F737-F902 HydrophobicContact CE1-CE1 3.54Å; F737-F902 AromaticContact CE1-CZ 3.83Å; F737-F902 HydrophobicContact CE1-CZ 3.83Å; F737-F902 HydrophobicContact CZ-CD1 4.2Å; F737-F902 AromaticContact CZ-CE1 3.45Å; F737-F902 HydrophobicContact CZ-CE1 3.45Å; F737-F902 VanDerWaalsContact CZ-CE1 3.45Å; F737-F902 HydrophobicContact CZ-CZ 4.08Å; F737-L905 HydrophobicContact CZ-CD1 4.34Å; F737-T908 HydrophobicContact CE2-CG2 3.82Å; F737-T908 HydrophobicContact CZ-CG2 4.46Å; F737-T909 PolarHBondContact N-O 3.09Å; F737-N910 WeakPolarHBondContact CB-OD1 3.38Å; F737-N910 WeakPolarHBondContact CG-OD1 3.43Å; F737-L911 PolarHBondContact O-N 3.3Å
738	G	78	Confident	84.8	Confident	33 Å²	33	25.1 Å²	25.1	34%	0.34	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	121.8	157.3	179.2	0	0	0	0	0	113.4	K744 L911	G738-K744 WeakPolarHBondContact O-CE 3.26Å; G738-K744 PolarHBondContact O-NZ 3.4Å; G738-L911 VanDerWaalsContact CA-O 3.29Å; G738-L911 WeakPolarHBondContact CA-O 3.33Å
739	G	70.9	Confident	84.4	Confident	42 Å²	42	25.6 Å²	25.6	43%	0.433	19%	0.191	S	C	.	.			trans	-84.3	176.4	-176.7	0	0	0	0	0	114.6	G741 V742	G739-G741 PolarHBondContact O-N 2.8Å; G739-V742 WeakPolarHBondContact O-CG1 3.49Å; G739-V742 VanDerWaalsContact O-CG2 3.26Å; G739-V742 WeakPolarHBondContact O-CG2 3.37Å
740	A	72.3	Confident	84.4	Confident	89 Å²	89	24.5 Å²	24.5	74%	0.736	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	132.6	176.5	0	0	0	0	0	112.1	R913	A740-R913 PolarHBondContact O-NH1 3.4Å; A740-R913 PolarHBondContact O-NH2 2.86Å
741	G	75.2	Confident	84.5	Confident	66 Å²	66	22 Å²	22	68%	0.68	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.7	11.9	176.7	0	0	0	0	0	116.5	G739 G743	G739-G741 PolarHBondContact O-N 2.8Å; G741-G743 VanDerWaalsContact C-N 3.34Å
742	V	83.6	Confident	84.3	Confident	2 Å²	2	21.6 Å²	21.6	1%	0.012	17%	0.17	C	C	.	.	S	Bend	trans	-85.4	0.1	176	-56.6	0	0	0	0	114.4	G739 K744 L911 R913 A923	G739-V742 WeakPolarHBondContact O-CG1 3.49Å; G739-V742 VanDerWaalsContact O-CG2 3.26Å; G739-V742 WeakPolarHBondContact O-CG2 3.37Å; V742-K744 HydrophobicContact CG2-CG 4.08Å; V742-L911 HydrophobicContact CB-CB 4.07Å; V742-L911 HydrophobicContact CG2-CB 3.44Å; V742-L911 VanDerWaalsContact CG2-CB 3.44Å; V742-L911 HydrophobicContact CG2-CD2 4Å; V742-L911 HydrophobicContact CG2-CG 4.37Å; V742-R913 HydrophobicContact CG1-CB 4.18Å; V742-A923 WeakPolarHBondContact O-CB 3.2Å
743	G	82.7	Confident	84.3	Confident	27 Å²	27	23 Å²	23	28%	0.278	18%	0.176	S	C	.	.	S	Bend	trans	96	17.3	179	0	0	0	0	0	116.4	G741 T745 V746 L747	G741-G743 VanDerWaalsContact C-N 3.34Å; G743-T745 VanDerWaalsContact C-N 3.34Å; G743-T745 PolarHBondContact O-N 3.48Å; G743-V746 PolarHBondContact O-N 2.81Å; G743-L747 PolarHBondContact O-N 2.97Å
744	K	83.7	Confident	84.1	Confident	31 Å²	31	22.9 Å²	22.9	14%	0.135	18%	0.175	C	C	.	.	H	α-helix	trans	-51	-49.4	177.6	-70.3	-162.1	-175.4	-170.7	0	113.2	L736 F737 G738 V742 V746 L747 I748 L911	L736-K744 HydrophobicContact CD2-CB 4.49Å; L736-K744 HydrophobicContact CD2-CD 4.31Å; L736-K744 HydrophobicContact CD2-CG 4.49Å; L736-K744 HydrophobicContact CG-CD 4.32Å; L736-K744 PolarHBondContact O-NZ 2.72Å; F737-K744 VanDerWaalsContact C-CE 3.47Å; F737-K744 VanDerWaalsContact O-CE 3.29Å; F737-K744 WeakPolarHBondContact O-CE 3.5Å; G738-K744 WeakPolarHBondContact O-CE 3.26Å; G738-K744 PolarHBondContact O-NZ 3.4Å; V742-K744 HydrophobicContact CG2-CG 4.08Å; K744-V746 PolarHBondContact O-N 3.15Å; K744-L747 PolarHBondContact O-N 2.86Å; K744-I748 WeakPolarHBondContact O-CG1 3.26Å; K744-I748 PolarHBondContact O-N 2.79Å; K744-L911 HydrophobicContact CG-CD2 4.32Å
745	T	79.5	Confident	83.5	Confident	64 Å²	64	23 Å²	23	39%	0.393	18%	0.176	S	C	.	.	H	α-helix	trans	-59.2	-46.3	-177.9	-36.9	0	0	0	0	111.9	G743 L747 I748 Q749 L778	G743-T745 VanDerWaalsContact C-N 3.34Å; G743-T745 PolarHBondContact O-N 3.48Å; T745-L747 VanDerWaalsContact C-N 3.33Å; T745-L747 PolarHBondContact O-N 3.14Å; T745-I748 WeakPolarHBondContact O-CB 3.39Å; T745-I748 PolarHBondContact O-N 3.15Å; T745-Q749 WeakPolarHBondContact O-CB 3.33Å; T745-Q749 VanDerWaalsContact O-CG 3.29Å; T745-Q749 WeakPolarHBondContact O-CG 3.27Å; T745-Q749 PolarHBondContact O-N 3.4Å; T745-Q749 PolarHBondContact O-OE1 3.48Å; T745-L778 HydrophobicContact CG2-CD1 3.53Å
746	V	85.7	Confident	82.8	Confident	57 Å²	57	23.2 Å²	23.2	35%	0.345	18%	0.177	S	C	.	.	H	α-helix	trans	-63.7	-37.1	177.7	171.7	0	0	0	0	111.5	G743 K744 E750 F994 V996	G743-V746 PolarHBondContact O-N 2.81Å; K744-V746 PolarHBondContact O-N 3.15Å; V746-E750 WeakPolarHBondContact O-CB 3.47Å; V746-E750 PolarHBondContact O-N 3.08Å; V746-F994 HydrophobicContact CG1-CD2 3.82Å; V746-F994 HydrophobicContact CG1-CE2 4.41Å; V746-V996 HydrophobicContact CG1-CG2 4.3Å
747	L	89	Confident	82.2	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-69.3	-40	173.4	-178.7	60.7	0	0	0	112.6	I719 I722 L736 G743 K744 T745 L751 T909 L911 P922 V924 F994	I719-L747 HydrophobicContact CD1-CD1 3.74Å; I722-L747 HydrophobicContact CD1-CD1 3.94Å; I722-L747 HydrophobicContact CD1-CD2 4.45Å; L736-L747 HydrophobicContact CD1-CD2 4.19Å; G743-L747 PolarHBondContact O-N 2.97Å; K744-L747 PolarHBondContact O-N 2.86Å; T745-L747 VanDerWaalsContact C-N 3.33Å; T745-L747 PolarHBondContact O-N 3.14Å; L747-L751 HydrophobicContact CD1-CD1 4.22Å; L747-L751 HydrophobicContact CD1-CG 4.33Å; L747-L751 HydrophobicContact CG-CD1 4Å; L747-L751 WeakPolarHBondContact O-CB 3.49Å; L747-L751 WeakPolarHBondContact O-CD1 3.35Å; L747-L751 WeakPolarHBondContact O-CG 3.18Å; L747-L751 PolarHBondContact O-N 3.48Å; L747-T909 HydrophobicContact CD2-CG2 4.5Å; L747-L911 HydrophobicContact CD2-CD1 4.02Å; L747-L911 HydrophobicContact CD2-CD2 4.1Å; L747-L911 HydrophobicContact CD2-CG 4.5Å; L747-P922 HydrophobicContact CD1-CB 4.06Å; L747-P922 HydrophobicContact CD1-CG 4.47Å; L747-V924 HydrophobicContact CD2-CG2 4.09Å; L747-F994 HydrophobicContact CD1-CE2 3.98Å; L747-F994 HydrophobicContact CD1-CZ 3.85Å
748	I	85.4	Confident	81.6	Confident	9 Å²	9	33.2 Å²	33.2	5%	0.046	22%	0.224	C	C	.	.	H	α-helix	trans	-61.8	-47.5	174.1	-72.4	168.4	0	0	0	110.2	L736 K744 T745 E750 L751 I752 F765 F830	L736-I748 HydrophobicContact CD2-CD1 3.91Å; L736-I748 HydrophobicContact CD2-CG1 3.96Å; K744-I748 WeakPolarHBondContact O-CG1 3.26Å; K744-I748 PolarHBondContact O-N 2.79Å; T745-I748 WeakPolarHBondContact O-CB 3.39Å; T745-I748 PolarHBondContact O-N 3.15Å; I748-E750 PolarHBondContact O-N 3.21Å; I748-L751 PolarHBondContact O-N 2.84Å; I748-I752 HydrophobicContact CG2-CD1 3.81Å; I748-I752 VanDerWaalsContact O-CG1 3.22Å; I748-I752 WeakPolarHBondContact O-CG1 3.48Å; I748-I752 PolarHBondContact O-N 2.87Å; I748-F765 HydrophobicContact CD1-CE2 4.46Å; I748-F765 HydrophobicContact CG2-CD2 4.33Å; I748-F765 HydrophobicContact CG2-CE2 4.28Å; I748-F830 HydrophobicContact CB-CD1 4.31Å; I748-F830 HydrophobicContact CB-CE1 4.02Å; I748-F830 HydrophobicContact CD1-CD1 4.29Å; I748-F830 HydrophobicContact CG1-CD1 3.85Å; I748-F830 HydrophobicContact CG1-CE1 3.77Å; I748-F830 HydrophobicContact CG2-CD1 3.74Å; I748-F830 HydrophobicContact CG2-CE1 3.66Å; I748-F830 HydrophobicContact CG2-CE2 4.47Å; I748-F830 HydrophobicContact CG2-CG 4.18Å; I748-F830 HydrophobicContact CG2-CZ 4.03Å
749	Q	84.5	Confident	81.3	Confident	10 Å²	10	37 Å²	37	5%	0.047	23%	0.233	C	C	.	.	H	α-helix	trans	-61.8	-42.1	178.8	-74	159.5	-12.1	0	0	112.3	T745 I752 H753 E781 V996	T745-Q749 WeakPolarHBondContact O-CB 3.33Å; T745-Q749 VanDerWaalsContact O-CG 3.29Å; T745-Q749 WeakPolarHBondContact O-CG 3.27Å; T745-Q749 PolarHBondContact O-N 3.4Å; T745-Q749 PolarHBondContact O-OE1 3.48Å; Q749-I752 PolarHBondContact O-N 2.92Å; Q749-H753 WeakPolarHBondContact O-CB 3.36Å; Q749-H753 PolarHBondContact O-N 3.3Å; Q749-E781 PolarHBondContact NE2-OE2 2.8Å; Q749-V996 HydrophobicContact CB-CB 4.11Å; Q749-V996 HydrophobicContact CB-CG1 4.03Å; Q749-V996 HydrophobicContact CB-CG2 3.78Å
750	E	89.5	Confident	81.1	Confident	0 Å²	0	37 Å²	37	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-68.8	-39.2	176.1	-168.5	73.3	173.7	0	0	112.2	I719 V746 I748 I752 H753 N754 F994 N995 V996	I719-E750 HydrophobicContact CD1-CB 4.33Å; I719-E750 HydrophobicContact CD1-CG 4.03Å; I719-E750 HydrophobicContact CG1-CG 4.5Å; V746-E750 WeakPolarHBondContact O-CB 3.47Å; V746-E750 PolarHBondContact O-N 3.08Å; I748-E750 PolarHBondContact O-N 3.21Å; E750-I752 VanDerWaalsContact C-N 3.34Å; E750-I752 PolarHBondContact O-N 3.31Å; E750-H753 PolarHBondContact O-N 2.65Å; E750-N754 WeakPolarHBondContact O-CB 3.44Å; E750-N754 VanDerWaalsContact O-CG 3.28Å; E750-N754 PolarHBondContact O-N 2.86Å; E750-N754 PolarHBondContact OE1-OD1 2.96Å; E750-F994 HydrophobicContact CB-CB 4.41Å; E750-F994 HydrophobicContact CB-CD1 4.44Å; E750-F994 HydrophobicContact CB-CD2 3.51Å; E750-F994 HydrophobicContact CB-CE2 3.73Å; E750-F994 HydrophobicContact CB-CG 3.91Å; E750-F994 HydrophobicContact CB-CZ 4.24Å; E750-F994 HydrophobicContact CG-CB 4.02Å; E750-F994 HydrophobicContact CG-CD1 3.71Å; E750-F994 HydrophobicContact CG-CD2 3.71Å; E750-F994 HydrophobicContact CG-CE1 3.98Å; E750-F994 HydrophobicContact CG-CE2 4.02Å; E750-F994 HydrophobicContact CG-CG 3.55Å; E750-F994 HydrophobicContact CG-CZ 4.12Å; E750-F994 VanDerWaalsContact OE1-CA 3.28Å; E750-F994 WeakPolarHBondContact OE1-CA 3.49Å; E750-F994 WeakPolarHBondContact OE2-CB 3.37Å; E750-N995 PolarHBondContact OE1-N 3.12Å; E750-N995 PolarHBondContact OE1-ND2 2.82Å; E750-N995 PolarHBondContact OE2-N 3.1Å; E750-V996 HydrophobicContact CB-CG2 4.11Å; E750-V996 WeakPolarHBondContact OE2-CG2 3.15Å; E750-V996 PolarHBondContact OE2-N 3.16Å
751	L	89	Confident	81.2	Confident	0 Å²	0	33 Å²	33	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.6	-42.4	174.6	-76.3	166	0	0	0	111.8	T717 I719 I722 Y728 L747 I748 I755 F830 I883	T717-L751 HydrophobicContact CG2-CD2 3.56Å; I719-L751 HydrophobicContact CD1-CD2 3.81Å; I719-L751 HydrophobicContact CD1-CG 3.93Å; I722-L751 HydrophobicContact CD1-CD1 4.45Å; I722-L751 HydrophobicContact CD1-CD2 4.22Å; Y728-L751 HydrophobicContact CE2-CD1 4.25Å; Y728-L751 HydrophobicContact CE2-CD2 4.14Å; L747-L751 HydrophobicContact CD1-CD1 4.22Å; L747-L751 HydrophobicContact CD1-CG 4.33Å; L747-L751 HydrophobicContact CG-CD1 4Å; L747-L751 WeakPolarHBondContact O-CB 3.49Å; L747-L751 WeakPolarHBondContact O-CD1 3.35Å; L747-L751 WeakPolarHBondContact O-CG 3.18Å; L747-L751 PolarHBondContact O-N 3.48Å; I748-L751 PolarHBondContact O-N 2.84Å; L751-I755 WeakPolarHBondContact O-CB 3.44Å; L751-I755 PolarHBondContact O-N 2.68Å; L751-F830 HydrophobicContact CB-CZ 4.23Å; L751-I883 HydrophobicContact CD1-CD1 3.85Å
752	I	84.1	Confident	81.7	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-60.4	-52.4	171.5	-65.1	164.9	0	0	0	109.2	I748 Q749 E750 N754 A756 M782 V787 T791 F830	I748-I752 HydrophobicContact CG2-CD1 3.81Å; I748-I752 VanDerWaalsContact O-CG1 3.22Å; I748-I752 WeakPolarHBondContact O-CG1 3.48Å; I748-I752 PolarHBondContact O-N 2.87Å; Q749-I752 PolarHBondContact O-N 2.92Å; E750-I752 VanDerWaalsContact C-N 3.34Å; E750-I752 PolarHBondContact O-N 3.31Å; I752-N754 PolarHBondContact O-N 2.82Å; I752-A756 WeakPolarHBondContact O-CB 3.27Å; I752-A756 PolarHBondContact O-N 2.87Å; I752-M782 HydrophobicContact CD1-CE 3.45Å; I752-M782 VanDerWaalsContact CD1-CE 3.45Å; I752-M782 HydrophobicContact CD1-SD 4.41Å; I752-V787 HydrophobicContact CG2-CB 3.8Å; I752-V787 HydrophobicContact CG2-CG1 4.46Å; I752-V787 HydrophobicContact CG2-CG2 4.12Å; I752-T791 WeakPolarHBondContact CG2-OG1 3.39Å; I752-F830 HydrophobicContact CD1-CD2 4.34Å; I752-F830 HydrophobicContact CD1-CE2 3.89Å; I752-F830 HydrophobicContact CD1-CZ 4.33Å; I752-F830 HydrophobicContact CG1-CD2 4.28Å; I752-F830 HydrophobicContact CG1-CE2 3.39Å; I752-F830 HydrophobicContact CG1-CZ 3.75Å
753	H	86	Confident	82	Confident	34 Å²	34	30.2 Å²	30.2	16%	0.157	17%	0.17	C	C	.	.	H	α-helix	trans	-54.9	-52.8	-178	-172.6	97.7	0	0	0	112.3	Q749 E750 A756 Q757 V787 V996	Q749-H753 WeakPolarHBondContact O-CB 3.36Å; Q749-H753 PolarHBondContact O-N 3.3Å; E750-H753 PolarHBondContact O-N 2.65Å; H753-A756 WeakPolarHBondContact O-CB 3.31Å; H753-A756 PolarHBondContact O-N 3.28Å; H753-Q757 WeakPolarHBondContact O-CG 3.28Å; H753-Q757 PolarHBondContact O-N 2.82Å; H753-V787 HydrophobicContact CB-CG1 3.78Å; H753-V996 HydrophobicContact CB-CG1 3.9Å
754	N	87.7	Confident	82.5	Confident	3 Å²	3	29 Å²	29	2%	0.016	16%	0.157	C	C	.	.	H	α-helix	trans	-63.4	-49.8	-174.5	-73	-0.3	0	0	0	111.9	T717 E750 I752 A756 Q757 E758 Y1007	T717-N754 VanDerWaalsContact O-CB 3.29Å; T717-N754 WeakPolarHBondContact O-CB 3.48Å; T717-N754 PolarHBondContact O-ND2 3.2Å; E750-N754 WeakPolarHBondContact O-CB 3.44Å; E750-N754 VanDerWaalsContact O-CG 3.28Å; E750-N754 PolarHBondContact O-N 2.86Å; E750-N754 PolarHBondContact OE1-OD1 2.96Å; I752-N754 PolarHBondContact O-N 2.82Å; N754-A756 VanDerWaalsContact C-N 3.31Å; N754-A756 PolarHBondContact O-N 3.23Å; N754-Q757 PolarHBondContact O-N 3.4Å; N754-E758 PolarHBondContact O-N 3.33Å; N754-Y1007 HydrophobicContact CB-CD2 3.74Å; N754-Y1007 HydrophobicContact CB-CE2 3.88Å
755	I	80.6	Confident	82.9	Confident	4 Å²	4	27.8 Å²	27.8	2%	0.021	15%	0.152	C	C	.	.	H	α-helix	trans	-70	-31.1	179.7	-75.8	153.8	0	0	0	111.4	L715 L751 H759 G760 G761 L828	L715-I755 HydrophobicContact CD1-CD1 4.12Å; L715-I755 HydrophobicContact CD1-CG1 4.27Å; L715-I755 HydrophobicContact CD2-CD1 3.88Å; L715-I755 HydrophobicContact CG-CD1 3.93Å; L751-I755 WeakPolarHBondContact O-CB 3.44Å; L751-I755 PolarHBondContact O-N 2.68Å; I755-H759 CarbonylContact O-C 3.33Å; I755-H759 PolarHBondContact O-N 3.34Å; I755-G760 PolarHBondContact O-N 2.89Å; I755-G761 PolarHBondContact O-N 3.32Å; I755-L828 HydrophobicContact CB-CD1 4.32Å; I755-L828 HydrophobicContact CD1-CD1 3.62Å; I755-L828 HydrophobicContact CD1-CD2 4.36Å; I755-L828 HydrophobicContact CD1-CG 4.14Å; I755-L828 HydrophobicContact CG2-CD1 4.35Å; I755-L828 HydrophobicContact CG2-CG 4.48Å
756	A	75.5	Confident	83.5	Confident	3 Å²	3	24.8 Å²	24.8	3%	0.025	13%	0.133	C	C	.	.	H	α-helix	trans	-66.9	-38	173.1	0	0	0	0	0	113.5	I752 H753 N754 K790	I752-A756 WeakPolarHBondContact O-CB 3.27Å; I752-A756 PolarHBondContact O-N 2.87Å; H753-A756 WeakPolarHBondContact O-CB 3.31Å; H753-A756 PolarHBondContact O-N 3.28Å; N754-A756 VanDerWaalsContact C-N 3.31Å; N754-A756 PolarHBondContact O-N 3.23Å; A756-K790 HydrophobicContact CB-CB 4.2Å; A756-K790 HydrophobicContact CB-CD 3.61Å; A756-K790 PolarHBondContact O-NZ 3.2Å
757	Q	76.6	Confident	83.8	Confident	108 Å²	108	22 Å²	22	51%	0.505	12%	0.117	S	C	.	.	H	α-helix	trans	-86.2	-51.5	-179.2	-59	-58.1	14.9	0	0	113	H753 N754	H753-Q757 WeakPolarHBondContact O-CG 3.28Å; H753-Q757 PolarHBondContact O-N 2.82Å; N754-Q757 PolarHBondContact O-N 3.4Å
758	E	74.8	Confident	83.8	Confident	115 Å²	115	22 Å²	22	54%	0.537	12%	0.116	S	C	.	.	H	α-helix	trans	-84.5	-38.2	-170.5	-61.2	-56.4	141.5	0	0	113.1	N754 Y1007	N754-E758 PolarHBondContact O-N 3.33Å; E758-Y1007 HydrophobicContact CB-CD2 4.46Å; E758-Y1007 HydrophobicContact CB-CE2 3.95Å; E758-Y1007 HydrophobicContact CG-CD1 4.12Å; E758-Y1007 HydrophobicContact CG-CD2 3.59Å; E758-Y1007 HydrophobicContact CG-CE1 4.13Å; E758-Y1007 HydrophobicContact CG-CE2 3.58Å; E758-Y1007 HydrophobicContact CG-CG 3.87Å
759	H	70.6	Confident	83.9	Confident	111 Å²	111	21.9 Å²	21.9	51%	0.514	12%	0.118	S	C	.	.	S	Bend	trans	-99.2	-5.7	-179.3	-59.9	-46.8	0	0	0	113.7	E716 I755 G761	E716-H759 IonicContact OE1-NE2 3.58Å; I755-H759 CarbonylContact O-C 3.33Å; I755-H759 PolarHBondContact O-N 3.34Å; H759-G761 PolarHBondContact O-N 3.47Å
760	G	66.5	Low	83.9	Confident	43 Å²	43	22.8 Å²	22.8	44%	0.443	12%	0.122	S	C	.	.			trans	62	19.5	-174.7	0	0	0	0	0	113.8	I755	I755-G760 PolarHBondContact O-N 2.89Å
761	G	74.2	Confident	83.8	Confident	5 Å²	5	28.6 Å²	28.6	5%	0.052	14%	0.144	C	C	.	.			trans	-73	162.2	-175.4	0	0	0	0	0	113.1	I755 H759	I755-G761 PolarHBondContact O-N 3.32Å; H759-G761 PolarHBondContact O-N 3.47Å
762	I	86.1	Confident	83.6	Confident	9 Å²	9	32.3 Å²	32.3	5%	0.046	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	147.8	177.3	-73.6	175	0	0	0	109.6	L672 F819 Q825 V827 L828	L672-I762 HydrophobicContact CD1-CD1 3.92Å; L672-I762 HydrophobicContact CD1-CG1 4.34Å; L672-I762 HydrophobicContact CD2-CD1 4.3Å; L672-I762 HydrophobicContact CD2-CG1 4.43Å; L672-I762 HydrophobicContact CD2-CG2 3.62Å; I762-F819 HydrophobicContact CD1-CD1 3.45Å; I762-F819 VanDerWaalsContact CD1-CD1 3.45Å; I762-F819 HydrophobicContact CD1-CD2 4.41Å; I762-F819 HydrophobicContact CD1-CE1 3.4Å; I762-F819 VanDerWaalsContact CD1-CE1 3.4Å; I762-F819 HydrophobicContact CD1-CE2 4.37Å; I762-F819 HydrophobicContact CD1-CG 3.97Å; I762-F819 HydrophobicContact CD1-CZ 3.88Å; I762-F819 HydrophobicContact CG2-CD2 3.84Å; I762-F819 HydrophobicContact CG2-CE2 3.9Å; I762-F819 HydrophobicContact CG2-CG 4.25Å; I762-F819 HydrophobicContact CG2-CZ 4.35Å; I762-Q825 VanDerWaalsContact CD1-OE1 3.29Å; I762-V827 HydrophobicContact CG2-CG1 4.37Å; I762-V827 WeakPolarHBondContact O-CA 3.32Å; I762-V827 WeakPolarHBondContact O-CG1 3.43Å; I762-L828 PolarHBondContact O-N 2.97Å
763	S	90.6	Very high	83.6	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.007	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	145.7	172.6	-65.2	0	0	0	0	112	K790 T791 A792 L828	S763-K790 PolarHBondContact N-O 2.78Å; S763-T791 CarbonylContact O-C 3.58Å; S763-T791 VanDerWaalsContact O-CA 3.28Å; S763-T791 WeakPolarHBondContact O-CA 3.43Å; S763-A792 PolarHBondContact O-N 3.04Å; S763-L828 CarbonylContact C-O 3.53Å; S763-L828 WeakPolarHBondContact CA-O 3.35Å
764	V	92.1	Very high	83.4	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	119.6	168.4	-172.7	0	0	0	0	108	A792 V794 G812 I815 A816 V827 L828 L829 F830	V764-A792 CarbonylContact C-O 3.57Å; V764-A792 WeakPolarHBondContact CA-O 3.34Å; V764-A792 HydrophobicContact CG1-CB 4.42Å; V764-A792 HydrophobicContact CG2-CB 4.46Å; V764-V794 HydrophobicContact CG1-CG2 4.26Å; V764-G812 WeakPolarHBondContact CG1-O 3.27Å; V764-I815 HydrophobicContact CG1-CB 4.44Å; V764-I815 HydrophobicContact CG1-CG2 4.42Å; V764-I815 HydrophobicContact CG2-CB 4.41Å; V764-I815 HydrophobicContact CG2-CG2 3.87Å; V764-A816 HydrophobicContact CG2-CB 4.03Å; V764-V827 HydrophobicContact CG2-CG1 4.33Å; V764-L828 PolarHBondContact N-O 3.46Å; V764-L829 HydrophobicContact CB-CD1 4Å; V764-L829 HydrophobicContact CG1-CD1 4.14Å; V764-L829 WeakPolarHBondContact O-CA 3.29Å; V764-F830 PolarHBondContact O-N 3Å
765	F	92.2	Very high	83.1	Confident	7 Å²	7	40.7 Å²	40.7	3%	0.031	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	126.9	177.7	-171.8	-84.2	0	0	0	110.8	I748 L778 M782 T791 A792 M793 V794 F795 F830 D832	I748-F765 HydrophobicContact CD1-CE2 4.46Å; I748-F765 HydrophobicContact CG2-CD2 4.33Å; I748-F765 HydrophobicContact CG2-CE2 4.28Å; F765-L778 HydrophobicContact CD1-CD2 4Å; F765-L778 HydrophobicContact CD2-CD2 4.2Å; F765-L778 HydrophobicContact CE1-CD2 3.56Å; F765-L778 HydrophobicContact CE2-CD2 3.77Å; F765-L778 HydrophobicContact CG-CD2 4.32Å; F765-L778 HydrophobicContact CZ-CD2 3.44Å; F765-L778 VanDerWaalsContact CZ-CD2 3.44Å; F765-M782 HydrophobicContact CB-CE 4.48Å; F765-M782 HydrophobicContact CD2-CE 4.16Å; F765-M782 HydrophobicContact CG-CE 4.39Å; F765-T791 HydrophobicContact CB-CG2 4.4Å; F765-A792 PolarHBondContact N-O 3.06Å; F765-M793 HydrophobicContact CB-CE 4.31Å; F765-M793 HydrophobicContact CB-CG 4.36Å; F765-M793 HydrophobicContact CD1-CE 4.01Å; F765-M793 HydrophobicContact CG-CE 4.23Å; F765-V794 PolarHBondContact O-N 3.34Å; F765-F795 HydrophobicContact CD1-CE1 4.34Å; F765-F795 HydrophobicContact CD1-CZ 4.28Å; F765-F795 HydrophobicContact CE1-CE1 4.03Å; F765-F795 HydrophobicContact CE1-CZ 4.32Å; F765-F830 HydrophobicContact CD2-CB 3.59Å; F765-F830 HydrophobicContact CD2-CG 4.16Å; F765-F830 HydrophobicContact CE2-CB 4.03Å; F765-F830 HydrophobicContact CG-CB 4.36Å; F765-D832 HydrophobicContact CZ-CB 4.21Å
766	T	93.1	Very high	83.4	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	104.2	-179.4	-43.9	0	0	0	0	111	V768 V794 V808 F830 D832	T766-V768 HydrophobicContact CG2-CG2 4.05Å; T766-V768 PolarHBondContact O-N 2.88Å; T766-V794 CarbonylContact C-O 3.4Å; T766-V794 WeakPolarHBondContact CA-O 3.41Å; T766-V808 HydrophobicContact CG2-CB 4.46Å; T766-V808 HydrophobicContact CG2-CG1 4.2Å; T766-V808 HydrophobicContact CG2-CG2 3.91Å; T766-V808 WeakPolarHBondContact CG2-O 3.3Å; T766-F830 WeakPolarHBondContact CA-O 3.47Å; T766-F830 VanDerWaalsContact CB-O 3.22Å; T766-F830 WeakPolarHBondContact CB-O 3.4Å; T766-F830 PolarHBondContact N-O 3.12Å; T766-F830 PolarHBondContact OG1-O 3.13Å; T766-D832 PolarHBondContact O-N 3.06Å
767	G	91.4	Very high	83.9	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	99.5	173.4	0	0	0	0	0	111.7	V794 G796 D832	G767-V794 PolarHBondContact N-O 3.04Å; G767-G796 PolarHBondContact O-N 3.19Å; G767-D832 CarbonylContact C-O 3.51Å; G767-D832 WeakPolarHBondContact CA-O 3.25Å
768	V	90.3	Very high	84.2	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	105.8	-179.4	-169.6	0	0	0	0	110.6	T766 R805 V808 A809 I831 D832 N833 R836 F837	T766-V768 HydrophobicContact CG2-CG2 4.05Å; T766-V768 PolarHBondContact O-N 2.88Å; V768-R805 VanDerWaalsContact CG1-O 3.3Å; V768-R805 WeakPolarHBondContact CG1-O 3.45Å; V768-V808 HydrophobicContact CB-CG1 4.18Å; V768-V808 HydrophobicContact CG1-CG1 4.12Å; V768-V808 HydrophobicContact CG2-CG1 3.94Å; V768-A809 HydrophobicContact CG2-CB 4.3Å; V768-I831 HydrophobicContact CG2-CG2 3.54Å; V768-D832 PolarHBondContact N-O 3.01Å; V768-N833 PolarHBondContact O-N 3.46Å; V768-R836 HydrophobicContact CB-CB 4.42Å; V768-R836 HydrophobicContact CG1-CB 3.98Å; V768-R836 WeakPolarHBondContact O-CB 3.42Å; V768-R836 WeakPolarHBondContact O-CG 3.38Å; V768-F837 HydrophobicContact CG1-CB 3.98Å
769	G	86.2	Confident	84.8	Confident	7 Å²	7	37.2 Å²	37.2	7%	0.072	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	66	40.7	-175.2	0	0	0	0	0	112	G796 M798	G769-G796 WeakPolarHBondContact CA-O 3.42Å; G769-G796 PolarHBondContact N-O 3.05Å; G769-M798 WeakPolarHBondContact O-CG 3.36Å
770	E	85.6	Confident	85.5	Confident	29 Å²	29	37.8 Å²	37.8	14%	0.136	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	152.5	-173.3	-168.1	42.5	-110.4	0	0	111.9	E774 F795 G796 Q797 M798	E770-E774 VanDerWaalsContact OE1-CB 3.3Å; E770-E774 WeakPolarHBondContact OE1-CB 3.34Å; E770-F795 HydrophobicContact CB-CD1 3.99Å; E770-F795 HydrophobicContact CB-CE1 4.34Å; E770-F795 HydrophobicContact CG-CD1 4.08Å; E770-F795 HydrophobicContact CG-CE1 3.93Å; E770-G796 PolarHBondContact N-O 2.99Å; E770-Q797 WeakPolarHBondContact O-CA 3.35Å; E770-M798 PolarHBondContact O-N 3.41Å
771	R	86.5	Confident	86.1	Confident	122 Å²	122	39.3 Å²	39.3	46%	0.46	18%	0.181	S	C	.	.			trans	-80.3	131.6	175.9	-61.5	-171.8	-169.6	77.3	4.1	109.3	R773 E774 G775 M798	R771-R773 CarbonylContact O-C 3.58Å; R771-R773 PolarHBondContact O-N 2.91Å; R771-E774 HydrophobicContact CB-CB 4.22Å; R771-E774 VanDerWaalsContact CD-OE2 3.28Å; R771-E774 WeakPolarHBondContact CD-OE2 3.42Å; R771-E774 IonicContact CZ-OE2 2.66Å; R771-E774 IonicContact NE-OE2 2.68Å; R771-E774 IonicContact NH1-OE2 2.65Å; R771-E774 PolarHBondContact NH1-OE2 2.68Å; R771-E774 PolarHBondContact O-N 2.82Å; R771-G775 PolarHBondContact O-N 2.69Å; R771-M798 HydrophobicContact CG-CG 4.24Å; R771-M798 HydrophobicContact CG-SD 3.62Å
772	T	84.3	Confident	86.5	Confident	78 Å²	78	39 Å²	39	48%	0.479	18%	0.179	S	C	.	.	H	α-helix	trans	-52.8	-34.1	-179.1	-32.9	0	0	0	0	113.2	N776 Q797 N799	T772-N776 VanDerWaalsContact O-CB 3.25Å; T772-N776 WeakPolarHBondContact O-CB 3.3Å; T772-N776 PolarHBondContact O-N 3.15Å; T772-N776 VanDerWaalsContact O-N 3.1Å; T772-Q797 PolarHBondContact OG1-OE1 3.3Å; T772-N799 PolarHBondContact OG1-OD1 2.96Å
773	R	85	Confident	86.4	Confident	147 Å²	147	42.8 Å²	42.8	56%	0.555	20%	0.195	S	C	*	.	H	α-helix	trans	-65.6	-50.9	171.9	-173.7	-162.7	69	88.3	-8.2	112.2	R771 N776 D777	R771-R773 CarbonylContact O-C 3.58Å; R771-R773 PolarHBondContact O-N 2.91Å; R773-N776 WeakPolarHBondContact O-CB 3.17Å; R773-N776 PolarHBondContact O-N 3.11Å; R773-D777 WeakPolarHBondContact CG-OD2 3.24Å; R773-D777 IonicContact CZ-OD2 3.5Å; R773-D777 IonicContact NH1-OD2 3.5Å; R773-D777 PolarHBondContact NH1-OD2 3.34Å; R773-D777 WeakPolarHBondContact O-CB 3.44Å; R773-D777 PolarHBondContact O-N 2.9Å
774	E	81.2	Confident	85.9	Confident	59 Å²	59	48.7 Å²	48.7	28%	0.276	22%	0.222	S	C	.	.	H	α-helix	trans	-70.4	-34.6	-173.8	-77.5	143.8	-149.1	0	0	111.6	E770 R771 L778	E770-E774 VanDerWaalsContact OE1-CB 3.3Å; E770-E774 WeakPolarHBondContact OE1-CB 3.34Å; R771-E774 HydrophobicContact CB-CB 4.22Å; R771-E774 VanDerWaalsContact CD-OE2 3.28Å; R771-E774 WeakPolarHBondContact CD-OE2 3.42Å; R771-E774 IonicContact CZ-OE2 2.66Å; R771-E774 IonicContact NE-OE2 2.68Å; R771-E774 IonicContact NH1-OE2 2.65Å; R771-E774 PolarHBondContact NH1-OE2 2.68Å; R771-E774 PolarHBondContact O-N 2.82Å; E774-L778 VanDerWaalsContact O-CB 3.22Å; E774-L778 WeakPolarHBondContact O-CB 3.46Å; E774-L778 PolarHBondContact O-N 2.96Å
775	G	82.5	Confident	85.1	Confident	6 Å²	6	50 Å²	50	6%	0.062	23%	0.231	C	C	.	.	H	α-helix	trans	-66.9	-39.5	168.4	0	0	0	0	0	114.2	R771 Y779	R771-G775 PolarHBondContact O-N 2.69Å; G775-Y779 PolarHBondContact O-N 2.93Å; G775-Y779 VanDerWaalsContact O-N 3.09Å
776	N	86.6	Confident	84.4	Confident	76 Å²	76	51.7 Å²	51.7	41%	0.406	25%	0.251	S	S	.	.	H	α-helix	trans	-62.7	-51.7	173.1	167.6	89.4	0	0	0	111.3	T772 R773 L778 Y779 W780	T772-N776 VanDerWaalsContact O-CB 3.25Å; T772-N776 WeakPolarHBondContact O-CB 3.3Å; T772-N776 PolarHBondContact O-N 3.15Å; T772-N776 VanDerWaalsContact O-N 3.1Å; R773-N776 WeakPolarHBondContact O-CB 3.17Å; R773-N776 PolarHBondContact O-N 3.11Å; N776-L778 VanDerWaalsContact C-N 3.27Å; N776-L778 PolarHBondContact O-N 3.43Å; N776-Y779 WeakPolarHBondContact O-CB 3.28Å; N776-Y779 PolarHBondContact O-N 2.72Å; N776-Y779 VanDerWaalsContact O-N 3.1Å; N776-W780 PolarHBondContact O-N 2.98Å; N776-W780 VanDerWaalsContact O-N 3.09Å; N776-W780 PolarHBondContact OD1-NE1 3.44Å; N776-W780 VanDerWaalsContact OD1-NE1 3.14Å
777	D	85.2	Confident	83.8	Confident	51 Å²	51	52 Å²	52	27%	0.273	25%	0.252	S	S	.	.	H	α-helix	trans	-61.8	-41.2	-176	-61.3	-6.1	0	0	0	109.6	R773 Y779 W780 E781	R773-D777 WeakPolarHBondContact CG-OD2 3.24Å; R773-D777 IonicContact CZ-OD2 3.5Å; R773-D777 IonicContact NH1-OD2 3.5Å; R773-D777 PolarHBondContact NH1-OD2 3.34Å; R773-D777 WeakPolarHBondContact O-CB 3.44Å; R773-D777 PolarHBondContact O-N 2.9Å; D777-Y779 PolarHBondContact O-N 2.93Å; D777-W780 PolarHBondContact O-N 2.92Å; D777-E781 WeakPolarHBondContact O-CG 3.47Å; D777-E781 PolarHBondContact O-N 3.33Å
778	L	83.4	Confident	83.5	Confident	13 Å²	13	52.6 Å²	52.6	7%	0.068	26%	0.256	C	S	.	.	H	α-helix	trans	-59.5	-42.6	172.6	-179	57.8	0	0	0	113.5	T745 F765 E774 N776 E781 M782 M793	T745-L778 HydrophobicContact CG2-CD1 3.53Å; F765-L778 HydrophobicContact CD1-CD2 4Å; F765-L778 HydrophobicContact CD2-CD2 4.2Å; F765-L778 HydrophobicContact CE1-CD2 3.56Å; F765-L778 HydrophobicContact CE2-CD2 3.77Å; F765-L778 HydrophobicContact CG-CD2 4.32Å; F765-L778 HydrophobicContact CZ-CD2 3.44Å; F765-L778 VanDerWaalsContact CZ-CD2 3.44Å; E774-L778 VanDerWaalsContact O-CB 3.22Å; E774-L778 WeakPolarHBondContact O-CB 3.46Å; E774-L778 PolarHBondContact O-N 2.96Å; N776-L778 VanDerWaalsContact C-N 3.27Å; N776-L778 PolarHBondContact O-N 3.43Å; L778-E781 PolarHBondContact O-N 2.98Å; L778-M782 HydrophobicContact CD1-CE 3.77Å; L778-M782 HydrophobicContact CD1-CG 4.21Å; L778-M782 HydrophobicContact CD2-CE 4.22Å; L778-M782 HydrophobicContact CG-CE 3.99Å; L778-M782 WeakPolarHBondContact O-CB 3.31Å; L778-M782 WeakPolarHBondContact O-CG 3.46Å; L778-M782 PolarHBondContact O-N 3.45Å; L778-M793 HydrophobicContact CD2-CE 3.89Å; L778-M793 HydrophobicContact CG-CE 3.87Å
779	Y	87.1	Confident	83.2	Confident	18 Å²	18	59.9 Å²	59.9	7%	0.071	29%	0.29	C	S	.	.	H	α-helix	trans	-61.9	-43.7	177	171.5	-103.9	0	0	0	111.7	V675 G775 N776 D777 M782 K783 I788 M793	V675-Y779 HydrophobicContact CG2-CD2 3.24Å; V675-Y779 HydrophobicContact CG2-CE2 3.37Å; V675-Y779 HydrophobicContact CG2-CG 4.01Å; G775-Y779 PolarHBondContact O-N 2.93Å; G775-Y779 VanDerWaalsContact O-N 3.09Å; N776-Y779 WeakPolarHBondContact O-CB 3.28Å; N776-Y779 PolarHBondContact O-N 2.72Å; N776-Y779 VanDerWaalsContact O-N 3.1Å; D777-Y779 PolarHBondContact O-N 2.93Å; Y779-M782 PolarHBondContact O-N 3.46Å; Y779-K783 HydrophobicContact CE1-CD 3.92Å; Y779-K783 WeakPolarHBondContact O-CB 3.44Å; Y779-K783 PolarHBondContact O-N 2.94Å; Y779-K783 PolarHBondContact OH-NZ 2.75Å; Y779-I788 HydrophobicContact CD2-CD1 3.93Å; Y779-I788 HydrophobicContact CD2-CG1 4.21Å; Y779-I788 HydrophobicContact CE2-CD1 4.03Å; Y779-I788 HydrophobicContact CE2-CG1 3.92Å; Y779-M793 HydrophobicContact CD2-SD 3.92Å
780	W	86.2	Confident	83.1	Confident	122 Å²	122	62.9 Å²	62.9	46%	0.462	30%	0.301	S	S	.	.	H	α-helix	trans	-67.7	-42.8	176.7	-69.3	104.9	0	0	0	112	N776 D777 M782 K783 E784	N776-W780 PolarHBondContact O-N 2.98Å; N776-W780 VanDerWaalsContact O-N 3.09Å; N776-W780 PolarHBondContact OD1-NE1 3.44Å; N776-W780 VanDerWaalsContact OD1-NE1 3.14Å; D777-W780 PolarHBondContact O-N 2.92Å; W780-M782 VanDerWaalsContact C-N 3.32Å; W780-M782 PolarHBondContact O-N 3.12Å; W780-K783 HydrophobicContact CE3-CD 4.24Å; W780-K783 HydrophobicContact CZ3-CD 4.09Å; W780-K783 CarbonylContact O-C 3.59Å; W780-K783 WeakPolarHBondContact O-CB 3.1Å; W780-K783 PolarHBondContact O-N 2.99Å; W780-E784 WeakPolarHBondContact O-CB 3.27Å; W780-E784 WeakPolarHBondContact O-CG 3.18Å; W780-E784 PolarHBondContact O-N 2.79Å
781	E	79.6	Confident	83.3	Confident	75 Å²	75	61.5 Å²	61.5	35%	0.35	29%	0.294	S	S	.	.	H	α-helix	trans	-59.6	-40.2	174	-70.4	172.5	-172.1	0	0	112	Q749 D777 L778 K783 S785	Q749-E781 PolarHBondContact NE2-OE2 2.8Å; D777-E781 WeakPolarHBondContact O-CG 3.47Å; D777-E781 PolarHBondContact O-N 3.33Å; L778-E781 PolarHBondContact O-N 2.98Å; E781-K783 VanDerWaalsContact C-N 3.33Å; E781-K783 PolarHBondContact O-N 2.79Å; E781-S785 WeakPolarHBondContact O-CB 3.47Å; E781-S785 PolarHBondContact O-N 2.88Å; E781-S785 PolarHBondContact O-OG 2.59Å
782	M	82.2	Confident	83.6	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-67.4	-30.9	174	-74.3	-168.3	-178	0	0	113.1	I752 F765 L778 Y779 W780 S785 G786 V787 I788 T791 M793	I752-M782 HydrophobicContact CD1-CE 3.45Å; I752-M782 VanDerWaalsContact CD1-CE 3.45Å; I752-M782 HydrophobicContact CD1-SD 4.41Å; F765-M782 HydrophobicContact CB-CE 4.48Å; F765-M782 HydrophobicContact CD2-CE 4.16Å; F765-M782 HydrophobicContact CG-CE 4.39Å; L778-M782 HydrophobicContact CD1-CE 3.77Å; L778-M782 HydrophobicContact CD1-CG 4.21Å; L778-M782 HydrophobicContact CD2-CE 4.22Å; L778-M782 HydrophobicContact CG-CE 3.99Å; L778-M782 WeakPolarHBondContact O-CB 3.31Å; L778-M782 WeakPolarHBondContact O-CG 3.46Å; L778-M782 PolarHBondContact O-N 3.45Å; Y779-M782 PolarHBondContact O-N 3.46Å; W780-M782 VanDerWaalsContact C-N 3.32Å; W780-M782 PolarHBondContact O-N 3.12Å; M782-S785 WeakPolarHBondContact CA-OG 3.31Å; M782-S785 PolarHBondContact O-OG 2.78Å; M782-G786 PolarHBondContact O-N 3.31Å; M782-V787 HydrophobicContact CB-CG2 3.82Å; M782-V787 HydrophobicContact CG-CG2 3.82Å; M782-V787 PolarHBondContact O-N 3.3Å; M782-V787 VanDerWaalsContact O-N 3.08Å; M782-I788 HydrophobicContact CB-CB 4.15Å; M782-I788 HydrophobicContact CB-CD1 4.21Å; M782-I788 PolarHBondContact O-N 3.26Å; M782-I788 VanDerWaalsContact O-N 3.11Å; M782-I788 HydrophobicContact SD-CD1 4.44Å; M782-T791 HydrophobicContact CE-CG2 4.5Å; M782-T791 HydrophobicContact SD-CG2 3.95Å; M782-M793 HydrophobicContact CE-CE 4.12Å; M782-M793 HydrophobicContact SD-CE 3.77Å; M782-M793 HydrophobicContact SD-SD 3.83Å
783	K	84.2	Confident	84	Confident	88 Å²	88	52 Å²	52	38%	0.383	25%	0.25	S	C	.	.	H	α-helix	trans	-77.5	-37.9	178.1	-163.1	162.8	-167.3	168.3	0	111.8	Y779 W780 E781 G786 I788	Y779-K783 HydrophobicContact CE1-CD 3.92Å; Y779-K783 WeakPolarHBondContact O-CB 3.44Å; Y779-K783 PolarHBondContact O-N 2.94Å; Y779-K783 PolarHBondContact OH-NZ 2.75Å; W780-K783 HydrophobicContact CE3-CD 4.24Å; W780-K783 HydrophobicContact CZ3-CD 4.09Å; W780-K783 CarbonylContact O-C 3.59Å; W780-K783 WeakPolarHBondContact O-CB 3.1Å; W780-K783 PolarHBondContact O-N 2.99Å; E781-K783 VanDerWaalsContact C-N 3.33Å; E781-K783 PolarHBondContact O-N 2.79Å; K783-G786 PolarHBondContact O-N 3.34Å; K783-I788 HydrophobicContact CB-CG2 4.16Å; K783-I788 HydrophobicContact CG-CG2 4.17Å
784	E	80.1	Confident	84.3	Confident	124 Å²	124	45 Å²	45	58%	0.579	22%	0.223	S	C	*	.	H	α-helix	trans	-74.7	-27.9	176.5	-71	177.9	173.2	0	0	113.2	W780 Q999	W780-E784 WeakPolarHBondContact O-CB 3.27Å; W780-E784 WeakPolarHBondContact O-CG 3.18Å; W780-E784 PolarHBondContact O-N 2.79Å; E784-Q999 PolarHBondContact O-NE2 3.11Å
785	S	73.6	Confident	84.9	Confident	27 Å²	27	42.8 Å²	42.8	19%	0.189	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-2.5	171.6	56.8	0	0	0	0	114.2	E781 M782 V787	E781-S785 WeakPolarHBondContact O-CB 3.47Å; E781-S785 PolarHBondContact O-N 2.88Å; E781-S785 PolarHBondContact O-OG 2.59Å; M782-S785 WeakPolarHBondContact CA-OG 3.31Å; M782-S785 PolarHBondContact O-OG 2.78Å; S785-V787 PolarHBondContact O-N 2.94Å
786	G	78.1	Confident	85.2	Confident	43 Å²	43	42.5 Å²	42.5	44%	0.443	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	3	177.5	0	0	0	0	0	115.7	M782 K783 I788	M782-G786 PolarHBondContact O-N 3.31Å; K783-G786 PolarHBondContact O-N 3.34Å; G786-I788 VanDerWaalsContact C-N 3.32Å; G786-I788 PolarHBondContact O-N 3.5Å
787	V	80.1	Confident	85.3	Confident	6 Å²	6	40.7 Å²	40.7	4%	0.036	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-78.9	-15.6	-178.3	-55.7	0	0	0	0	113.4	I752 H753 M782 S785 E789 K790 T791 V996	I752-V787 HydrophobicContact CG2-CB 3.8Å; I752-V787 HydrophobicContact CG2-CG1 4.46Å; I752-V787 HydrophobicContact CG2-CG2 4.12Å; H753-V787 HydrophobicContact CB-CG1 3.78Å; M782-V787 HydrophobicContact CB-CG2 3.82Å; M782-V787 HydrophobicContact CG-CG2 3.82Å; M782-V787 PolarHBondContact O-N 3.3Å; M782-V787 VanDerWaalsContact O-N 3.08Å; S785-V787 PolarHBondContact O-N 2.94Å; V787-E789 PolarHBondContact O-N 3.43Å; V787-K790 PolarHBondContact O-N 2.99Å; V787-T791 PolarHBondContact O-OG1 3.4Å; V787-V996 HydrophobicContact CG1-CG1 4.46Å
788	I	85.4	Confident	85.3	Confident	13 Å²	13	42.2 Å²	42.2	7%	0.067	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-58.9	-34.2	-178.4	-162.1	47.5	0	0	0	112.4	G673 Y779 M782 K783 G786 K790 T791 M793	G673-I788 WeakPolarHBondContact CA-O 3.37Å; G673-I788 PolarHBondContact N-O 2.92Å; Y779-I788 HydrophobicContact CD2-CD1 3.93Å; Y779-I788 HydrophobicContact CD2-CG1 4.21Å; Y779-I788 HydrophobicContact CE2-CD1 4.03Å; Y779-I788 HydrophobicContact CE2-CG1 3.92Å; M782-I788 HydrophobicContact CB-CB 4.15Å; M782-I788 HydrophobicContact CB-CD1 4.21Å; M782-I788 PolarHBondContact O-N 3.26Å; M782-I788 VanDerWaalsContact O-N 3.11Å; M782-I788 HydrophobicContact SD-CD1 4.44Å; K783-I788 HydrophobicContact CB-CG2 4.16Å; K783-I788 HydrophobicContact CG-CG2 4.17Å; G786-I788 VanDerWaalsContact C-N 3.32Å; G786-I788 PolarHBondContact O-N 3.5Å; I788-K790 PolarHBondContact O-N 3.31Å; I788-T791 PolarHBondContact O-N 2.6Å; I788-T791 VanDerWaalsContact O-O 3.05Å; I788-M793 HydrophobicContact CD1-CG 4.06Å; I788-M793 HydrophobicContact CD1-SD 3.67Å
789	E	83.6	Confident	85.4	Confident	153 Å²	153	46.8 Å²	46.8	72%	0.715	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-61.2	-17.2	-179.5	-62	-172.1	172.2	0	0	114.3	L672 V787	L672-E789 WeakPolarHBondContact CB-O 3.22Å; V787-E789 PolarHBondContact O-N 3.43Å
790	K	85	Confident	85.4	Confident	71 Å²	71	47.8 Å²	47.8	31%	0.309	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-117.9	14.6	177.6	-66.4	168.7	177.5	177.3	0	112.4	A756 S763 V787 I788	A756-K790 HydrophobicContact CB-CB 4.2Å; A756-K790 HydrophobicContact CB-CD 3.61Å; A756-K790 PolarHBondContact O-NZ 3.2Å; S763-K790 PolarHBondContact N-O 2.78Å; V787-K790 PolarHBondContact O-N 2.99Å; I788-K790 PolarHBondContact O-N 3.31Å
791	T	89.2	Confident	85.6	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	125.3	-176.3	-51.9	0	0	0	0	111.4	G673 I752 S763 F765 M782 V787 I788 M793	G673-T791 PolarHBondContact N-O 3.38Å; I752-T791 WeakPolarHBondContact CG2-OG1 3.39Å; S763-T791 CarbonylContact O-C 3.58Å; S763-T791 VanDerWaalsContact O-CA 3.28Å; S763-T791 WeakPolarHBondContact O-CA 3.43Å; F765-T791 HydrophobicContact CB-CG2 4.4Å; M782-T791 HydrophobicContact CE-CG2 4.5Å; M782-T791 HydrophobicContact SD-CG2 3.95Å; V787-T791 PolarHBondContact O-OG1 3.4Å; I788-T791 PolarHBondContact O-N 2.6Å; I788-T791 VanDerWaalsContact O-O 3.05Å; T791-M793 HydrophobicContact CG2-CG 4.15Å
792	A	92.6	Very high	86.2	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	137.5	164.9	0	0	0	0	0	109.7	T671 L672 F676 S763 V764 F765 I815	T671-A792 WeakPolarHBondContact O-CA 3.37Å; T671-A792 VanDerWaalsContact O-CB 3.28Å; T671-A792 WeakPolarHBondContact O-CB 3.18Å; L672-A792 HydrophobicContact CD2-CB 4.47Å; F676-A792 HydrophobicContact CZ-CB 4.37Å; S763-A792 PolarHBondContact O-N 3.04Å; V764-A792 CarbonylContact C-O 3.57Å; V764-A792 WeakPolarHBondContact CA-O 3.34Å; V764-A792 HydrophobicContact CG1-CB 4.42Å; V764-A792 HydrophobicContact CG2-CB 4.46Å; F765-A792 PolarHBondContact N-O 3.06Å; A792-I815 HydrophobicContact CB-CG2 4.27Å
793	M	92.8	Very high	86.6	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	126.2	-178.1	-58.1	-169.9	81.7	0	0	112.4	R674 V675 F676 F765 L778 Y779 M782 I788 T791 F795	R674-M793 PolarHBondContact O-N 3.17Å; V675-M793 WeakPolarHBondContact CA-O 3.49Å; V675-M793 HydrophobicContact CB-CB 4.39Å; V675-M793 HydrophobicContact CG1-CB 4.07Å; V675-M793 HydrophobicContact CG2-CB 4.14Å; V675-M793 HydrophobicContact CG2-SD 4.3Å; F676-M793 PolarHBondContact N-O 2.87Å; F765-M793 HydrophobicContact CB-CE 4.31Å; F765-M793 HydrophobicContact CB-CG 4.36Å; F765-M793 HydrophobicContact CD1-CE 4.01Å; F765-M793 HydrophobicContact CG-CE 4.23Å; L778-M793 HydrophobicContact CD2-CE 3.89Å; L778-M793 HydrophobicContact CG-CE 3.87Å; Y779-M793 HydrophobicContact CD2-SD 3.92Å; M782-M793 HydrophobicContact CE-CE 4.12Å; M782-M793 HydrophobicContact SD-CE 3.77Å; M782-M793 HydrophobicContact SD-SD 3.83Å; I788-M793 HydrophobicContact CD1-CG 4.06Å; I788-M793 HydrophobicContact CD1-SD 3.67Å; T791-M793 HydrophobicContact CG2-CG 4.15Å; M793-F795 HydrophobicContact CB-CE2 4.07Å; M793-F795 HydrophobicContact CE-CE2 3.89Å; M793-F795 HydrophobicContact CE-CZ 3.66Å
794	V	92.7	Very high	86.9	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	130.4	177.5	-154.9	0	0	0	0	109.7	F676 V764 F765 T766 G767 V808 T811 I815	F676-V794 HydrophobicContact CD2-CG1 4.06Å; F676-V794 HydrophobicContact CD2-CG2 4.27Å; F676-V794 HydrophobicContact CE2-CB 4.29Å; F676-V794 HydrophobicContact CE2-CG1 4.1Å; F676-V794 HydrophobicContact CE2-CG2 3.56Å; F676-V794 HydrophobicContact CZ-CG2 4.09Å; F676-V794 WeakPolarHBondContact O-CA 3.4Å; V764-V794 HydrophobicContact CG1-CG2 4.26Å; F765-V794 PolarHBondContact O-N 3.34Å; T766-V794 CarbonylContact C-O 3.4Å; T766-V794 WeakPolarHBondContact CA-O 3.41Å; G767-V794 PolarHBondContact N-O 3.04Å; V794-V808 HydrophobicContact CB-CG2 4.05Å; V794-V808 HydrophobicContact CG1-CG2 3.51Å; V794-T811 HydrophobicContact CG1-CG2 3.51Å; V794-T811 HydrophobicContact CG2-CG2 4.41Å; V794-I815 HydrophobicContact CG2-CD1 3.99Å
795	F	92.1	Very high	87.4	Confident	12 Å²	12	31.2 Å²	31.2	5%	0.053	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	139.1	176.1	-69.3	-81.4	0	0	0	112.6	V675 F676 I683 F765 E770 M793	V675-F795 HydrophobicContact CG1-CD2 3.48Å; V675-F795 VanDerWaalsContact CG1-CD2 3.48Å; V675-F795 HydrophobicContact CG1-CE2 3.63Å; F676-F795 PolarHBondContact O-N 2.93Å; F676-F795 VanDerWaalsContact O-N 3.08Å; I683-F795 HydrophobicContact CD1-CB 4.36Å; F765-F795 HydrophobicContact CD1-CE1 4.34Å; F765-F795 HydrophobicContact CD1-CZ 4.28Å; F765-F795 HydrophobicContact CE1-CE1 4.03Å; F765-F795 HydrophobicContact CE1-CZ 4.32Å; E770-F795 HydrophobicContact CB-CD1 3.99Å; E770-F795 HydrophobicContact CB-CE1 4.34Å; E770-F795 HydrophobicContact CG-CD1 4.08Å; E770-F795 HydrophobicContact CG-CE1 3.93Å; M793-F795 HydrophobicContact CB-CE2 4.07Å; M793-F795 HydrophobicContact CE-CE2 3.89Å; M793-F795 HydrophobicContact CE-CZ 3.66Å
796	G	89.6	Confident	88.2	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	105.5	162.4	0	0	0	0	0	107.5	G767 G769 E770 E800	G767-G796 PolarHBondContact O-N 3.19Å; G769-G796 WeakPolarHBondContact CA-O 3.42Å; G769-G796 PolarHBondContact N-O 3.05Å; E770-G796 PolarHBondContact N-O 2.99Å; G796-E800 WeakPolarHBondContact CA-OE2 3.45Å
797	Q	88.8	Confident	88.9	Confident	38 Å²	38	29.3 Å²	29.3	18%	0.178	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	157.2	-163.7	-52.6	-174.2	-1.4	0	0	112.8	E770 T772 N799 E800 R805	E770-Q797 WeakPolarHBondContact O-CA 3.35Å; T772-Q797 PolarHBondContact OG1-OE1 3.3Å; Q797-N799 WeakPolarHBondContact CB-OD1 3.49Å; Q797-N799 PolarHBondContact O-N 2.81Å; Q797-N799 VanDerWaalsContact O-N 3.12Å; Q797-N799 PolarHBondContact OE1-ND2 3.44Å; Q797-N799 VanDerWaalsContact OE1-ND2 3.09Å; Q797-N799 PolarHBondContact OE1-OD1 3.45Å; Q797-E800 HydrophobicContact CB-CG 4.08Å; Q797-E800 PolarHBondContact N-OE2 3.12Å; Q797-E800 PolarHBondContact O-N 3.48Å; Q797-R805 WeakPolarHBondContact O-CD 3.42Å
798	M	84.8	Confident	89.4	Confident	84 Å²	84	29 Å²	29	41%	0.414	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-28.4	174.6	-76.5	-156.5	79.9	0	0	114.1	G769 E770 R771	G769-M798 WeakPolarHBondContact O-CG 3.36Å; E770-M798 PolarHBondContact O-N 3.41Å; R771-M798 HydrophobicContact CG-CG 4.24Å; R771-M798 HydrophobicContact CG-SD 3.62Å
799	N	85.4	Confident	89.8	Confident	108 Å²	108	28.4 Å²	28.4	58%	0.578	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-8.4	179.3	48.7	-81.2	0	0	0	114.5	T772 Q797	T772-N799 PolarHBondContact OG1-OD1 2.96Å; Q797-N799 WeakPolarHBondContact CB-OD1 3.49Å; Q797-N799 PolarHBondContact O-N 2.81Å; Q797-N799 VanDerWaalsContact O-N 3.12Å; Q797-N799 PolarHBondContact OE1-ND2 3.44Å; Q797-N799 VanDerWaalsContact OE1-ND2 3.09Å; Q797-N799 PolarHBondContact OE1-OD1 3.45Å
800	E	88.2	Confident	90.3	Very high	39 Å²	39	21.7 Å²	21.7	18%	0.182	11%	0.106	C	C	.	.	S	Bend	trans	-84.4	159.7	177.9	-73.1	171.4	172.5	0	0	111.5	G796 Q797 A804 R805	G796-E800 WeakPolarHBondContact CA-OE2 3.45Å; Q797-E800 HydrophobicContact CB-CG 4.08Å; Q797-E800 PolarHBondContact N-OE2 3.12Å; Q797-E800 PolarHBondContact O-N 3.48Å; E800-A804 HydrophobicContact CB-CB 4.02Å; E800-R805 PolarHBondContact O-NH1 3.19Å
801	P	89.9	Confident	90.7	Very high	18 Å²	18	18.3 Å²	18.3	12%	0.117	9%	0.091	C	C	.	.			trans	-53.2	153.2	176.4	-27.5	35.7	0	0	0	113.7	P595 A643 E645 G803 A804 R805	P595-P801 HydrophobicContact CB-CB 3.94Å; A643-P801 WeakPolarHBondContact O-CB 2.68Å; E645-P801 WeakPolarHBondContact O-CG 3.33Å; P801-G803 PolarHBondContact O-N 2.89Å; P801-G803 VanDerWaalsContact O-N 3.12Å; P801-A804 PolarHBondContact O-N 2.86Å; P801-A804 VanDerWaalsContact O-N 3.12Å; P801-R805 PolarHBondContact O-N 3.18Å
802	P	90.8	Very high	90.9	Very high	10 Å²	10	18.3 Å²	18.3	7%	0.065	9%	0.091	C	C	.	.	H	α-helix	trans	-59.7	-23.8	174.1	26.7	-35.2	0	0	0	112.6	P595 R805 M806 A840 E843 V844 L847	P595-P802 HydrophobicContact CG-CG 4.07Å; P802-R805 PolarHBondContact O-N 3.19Å; P802-M806 VanDerWaalsContact O-CB 3.27Å; P802-M806 WeakPolarHBondContact O-CB 2.79Å; P802-M806 PolarHBondContact O-N 3.31Å; P802-A840 HydrophobicContact CB-CB 4.43Å; P802-E843 HydrophobicContact CB-CB 3.79Å; P802-E843 HydrophobicContact CG-CB 4.19Å; P802-V844 HydrophobicContact CB-CG2 4.16Å; P802-V844 HydrophobicContact CG-CG2 4.42Å; P802-L847 HydrophobicContact CG-CD1 4.02Å
803	G	90.6	Very high	91	Very high	2 Å²	2	18.3 Å²	18.3	2%	0.021	9%	0.091	C	C	.	.	H	α-helix	trans	-55.6	-55.4	169.8	0	0	0	0	0	113	M644 P801 R805 M806 R807	M644-G803 VanDerWaalsContact SD-C 3.6Å; P801-G803 PolarHBondContact O-N 2.89Å; P801-G803 VanDerWaalsContact O-N 3.12Å; G803-R805 VanDerWaalsContact C-N 3.35Å; G803-R805 PolarHBondContact O-N 2.6Å; G803-M806 PolarHBondContact O-N 3.25Å; G803-M806 VanDerWaalsContact O-N 3.14Å; G803-R807 WeakPolarHBondContact O-CG 3.36Å; G803-R807 PolarHBondContact O-N 3.23Å
804	A	90.8	Very high	91	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-57.4	-46.9	176.8	0	0	0	0	0	112.2	M644 V678 E800 P801 M806 R807 V808	M644-A804 WeakPolarHBondContact O-CB 3.49Å; V678-A804 HydrophobicContact CB-CB 4.43Å; V678-A804 HydrophobicContact CG1-CB 3.8Å; E800-A804 HydrophobicContact CB-CB 4.02Å; P801-A804 PolarHBondContact O-N 2.86Å; P801-A804 VanDerWaalsContact O-N 3.12Å; A804-M806 PolarHBondContact O-N 3.44Å; A804-R807 PolarHBondContact O-N 3.46Å; A804-V808 PolarHBondContact O-N 3.2Å
805	R	91.1	Very high	91	Very high	32 Å²	32	18.3 Å²	18.3	12%	0.121	9%	0.091	C	C	.	.	H	α-helix	trans	-63.9	-29.5	179.4	-54.2	-168	-47.6	-101.8	7.3	112.4	V768 Q797 E800 P801 P802 G803 A840 E843	V768-R805 VanDerWaalsContact CG1-O 3.3Å; V768-R805 WeakPolarHBondContact CG1-O 3.45Å; Q797-R805 WeakPolarHBondContact O-CD 3.42Å; E800-R805 PolarHBondContact O-NH1 3.19Å; P801-R805 PolarHBondContact O-N 3.18Å; P802-R805 PolarHBondContact O-N 3.19Å; G803-R805 VanDerWaalsContact C-N 3.35Å; G803-R805 PolarHBondContact O-N 2.6Å; R805-A840 HydrophobicContact CB-CB 3.77Å; R805-E843 IonicContact CZ-OE1 3.62Å; R805-E843 IonicContact CZ-OE2 3.64Å; R805-E843 IonicContact NH2-OE1 2.67Å; R805-E843 PolarHBondContact NH2-OE1 3.01Å; R805-E843 IonicContact NH2-OE2 3.21Å; R805-E843 PolarHBondContact NH2-OE2 2.72Å
806	M	89.9	Confident	91.1	Very high	5 Å²	5	17.8 Å²	17.8	3%	0.025	9%	0.088	C	C	.	.	H	α-helix	trans	-80.6	-21.7	174.3	-162.2	-170.1	-176.7	0	0	113.1	P802 G803 A804 F837 A840 V844 E864	P802-M806 VanDerWaalsContact O-CB 3.27Å; P802-M806 WeakPolarHBondContact O-CB 2.79Å; P802-M806 PolarHBondContact O-N 3.31Å; G803-M806 PolarHBondContact O-N 3.25Å; G803-M806 VanDerWaalsContact O-N 3.14Å; A804-M806 PolarHBondContact O-N 3.44Å; M806-F837 HydrophobicContact CG-CD2 4.47Å; M806-F837 HydrophobicContact CG-CE2 4.3Å; M806-F837 WeakPolarHBondContact O-CD2 3.27Å; M806-F837 VanDerWaalsContact O-CE2 3.24Å; M806-F837 WeakPolarHBondContact O-CE2 3.18Å; M806-A840 HydrophobicContact CB-CB 4Å; M806-V844 HydrophobicContact SD-CB 4.11Å; M806-V844 HydrophobicContact SD-CG1 4.15Å; M806-V844 HydrophobicContact SD-CG2 4.03Å; M806-E864 HydrophobicContact CE-CG 4.05Å; M806-E864 WeakPolarHBondContact CE-OE2 3.23Å
807	R	92.6	Very high	91.2	Very high	25 Å²	25	17.9 Å²	17.9	9%	0.094	9%	0.089	C	C	.	.	H	α-helix	trans	-102.8	-20.1	-176.2	-66.7	-58.8	177.8	-103.9	-2.3	115.2	E629 M644 V678 I698 G803 A804 A809 L810 T811	E629-R807 IonicContact OE1-CZ 2.69Å; E629-R807 IonicContact OE1-NE 3.67Å; E629-R807 PolarHBondContact OE1-NE 2.93Å; E629-R807 IonicContact OE1-NH2 2.68Å; E629-R807 PolarHBondContact OE1-NH2 3.46Å; E629-R807 WeakPolarHBondContact OE2-CD 3.49Å; E629-R807 IonicContact OE2-CZ 3.73Å; E629-R807 IonicContact OE2-NE 2.8Å; E629-R807 PolarHBondContact OE2-NE 3.07Å; M644-R807 HydrophobicContact CE-CG 4.14Å; M644-R807 HydrophobicContact SD-CB 4.04Å; M644-R807 HydrophobicContact SD-CG 3.81Å; V678-R807 HydrophobicContact CG2-CB 3.52Å; I698-R807 HydrophobicContact CD1-CB 3.91Å; I698-R807 HydrophobicContact CD1-CG 4.22Å; G803-R807 WeakPolarHBondContact O-CG 3.36Å; G803-R807 PolarHBondContact O-N 3.23Å; A804-R807 PolarHBondContact O-N 3.46Å; R807-A809 VanDerWaalsContact C-N 3.3Å; R807-A809 PolarHBondContact O-N 2.99Å; R807-L810 WeakPolarHBondContact O-CB 3.32Å; R807-L810 PolarHBondContact O-N 3.09Å; R807-L810 VanDerWaalsContact O-N 3.11Å; R807-T811 PolarHBondContact O-N 2.82Å; R807-T811 VanDerWaalsContact O-N 3.12Å; R807-T811 PolarHBondContact O-OG1 3.48Å
808	V	92.2	Very high	91.4	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-61.4	-35.4	-179.5	73	0	0	0	0	112.9	V678 T766 V768 V794 A804 L810 T811 G812	V678-V808 HydrophobicContact CB-CB 4.41Å; V678-V808 HydrophobicContact CG2-CB 4.29Å; T766-V808 HydrophobicContact CG2-CB 4.46Å; T766-V808 HydrophobicContact CG2-CG1 4.2Å; T766-V808 HydrophobicContact CG2-CG2 3.91Å; T766-V808 WeakPolarHBondContact CG2-O 3.3Å; V768-V808 HydrophobicContact CB-CG1 4.18Å; V768-V808 HydrophobicContact CG1-CG1 4.12Å; V768-V808 HydrophobicContact CG2-CG1 3.94Å; V794-V808 HydrophobicContact CB-CG2 4.05Å; V794-V808 HydrophobicContact CG1-CG2 3.51Å; A804-V808 PolarHBondContact O-N 3.2Å; V808-L810 VanDerWaalsContact C-N 3.3Å; V808-L810 PolarHBondContact O-N 2.73Å; V808-T811 WeakPolarHBondContact O-CA 3.35Å; V808-T811 VanDerWaalsContact O-CB 3.27Å; V808-T811 WeakPolarHBondContact O-CB 3.16Å; V808-T811 PolarHBondContact O-N 2.87Å; V808-G812 PolarHBondContact O-N 3.03Å
809	A	92.9	Very high	91.7	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-60.1	-37.7	175.2	0	0	0	0	0	113.3	V768 R807 L813 F837 L868	V768-A809 HydrophobicContact CG2-CB 4.3Å; R807-A809 VanDerWaalsContact C-N 3.3Å; R807-A809 PolarHBondContact O-N 2.99Å; A809-L813 WeakPolarHBondContact O-CB 3.27Å; A809-L813 PolarHBondContact O-N 2.99Å; A809-F837 HydrophobicContact CB-CD2 3.93Å; A809-F837 HydrophobicContact CB-CE2 4.44Å; A809-L868 HydrophobicContact CB-CD1 3.97Å; A809-L868 HydrophobicContact CB-CD2 3.96Å
810	L	93.6	Very high	92	Very high	12 Å²	12	8.7 Å²	8.7	6%	0.063	4%	0.04	C	C	.	.	H	α-helix	trans	-73.7	-30.1	175.5	-60.1	171.2	0	0	0	111.8	I698 R807 V808 T814 L868	I698-L810 HydrophobicContact CB-CB 4.13Å; I698-L810 HydrophobicContact CG1-CB 4.49Å; R807-L810 WeakPolarHBondContact O-CB 3.32Å; R807-L810 PolarHBondContact O-N 3.09Å; R807-L810 VanDerWaalsContact O-N 3.11Å; V808-L810 VanDerWaalsContact C-N 3.3Å; V808-L810 PolarHBondContact O-N 2.73Å; L810-T814 PolarHBondContact O-N 3.31Å; L810-T814 PolarHBondContact O-OG1 2.87Å; L810-L868 HydrophobicContact CD2-CB 4.27Å; L810-L868 HydrophobicContact CD2-CD1 3.69Å; L810-L868 HydrophobicContact CG-CD1 4.39Å
811	T	93.6	Very high	92.1	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-64.6	-57.5	176.1	-58.3	0	0	0	0	111.2	V665 V678 V794 R807 V808 L813 T814 I815	V665-T811 HydrophobicContact CB-CG2 4.11Å; V665-T811 HydrophobicContact CG1-CG2 3.81Å; V665-T811 HydrophobicContact CG2-CG2 4.11Å; V678-T811 PolarHBondContact O-OG1 3.21Å; V794-T811 HydrophobicContact CG1-CG2 3.51Å; V794-T811 HydrophobicContact CG2-CG2 4.41Å; R807-T811 PolarHBondContact O-N 2.82Å; R807-T811 VanDerWaalsContact O-N 3.12Å; R807-T811 PolarHBondContact O-OG1 3.48Å; V808-T811 WeakPolarHBondContact O-CA 3.35Å; V808-T811 VanDerWaalsContact O-CB 3.27Å; V808-T811 WeakPolarHBondContact O-CB 3.16Å; V808-T811 PolarHBondContact O-N 2.87Å; T811-L813 VanDerWaalsContact C-N 3.25Å; T811-L813 PolarHBondContact O-N 3.27Å; T811-T814 PolarHBondContact O-N 3.05Å; T811-I815 HydrophobicContact CG2-CD1 4.28Å; T811-I815 WeakPolarHBondContact O-CD1 3.43Å; T811-I815 PolarHBondContact O-N 3.34Å
812	G	93.5	Very high	92	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-60	-36.3	177.9	0	0	0	0	0	112.6	V764 V808 I815 A816	V764-G812 WeakPolarHBondContact CG1-O 3.27Å; V808-G812 PolarHBondContact O-N 3.03Å; G812-I815 PolarHBondContact O-N 2.93Å; G812-A816 PolarHBondContact O-N 2.69Å; G812-A816 VanDerWaalsContact O-N 3.15Å
813	L	94.2	Very high	91.9	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-62.6	-48.4	173.6	-178.7	51.6	0	0	0	112.4	A809 T811 I815 A816 E817 L829 L868 R871 I872 V880	A809-L813 WeakPolarHBondContact O-CB 3.27Å; A809-L813 PolarHBondContact O-N 2.99Å; T811-L813 VanDerWaalsContact C-N 3.25Å; T811-L813 PolarHBondContact O-N 3.27Å; L813-I815 PolarHBondContact O-N 3.04Å; L813-A816 CarbonylContact O-C 3.56Å; L813-A816 WeakPolarHBondContact O-CA 3.32Å; L813-A816 WeakPolarHBondContact O-CB 3.38Å; L813-A816 PolarHBondContact O-N 2.59Å; L813-E817 HydrophobicContact CD1-CG 3.84Å; L813-E817 HydrophobicContact CG-CG 4.18Å; L813-E817 WeakPolarHBondContact O-CG 3.02Å; L813-E817 PolarHBondContact O-N 2.92Å; L813-L829 HydrophobicContact CB-CD2 3.9Å; L813-L829 HydrophobicContact CD1-CD2 3.62Å; L813-L829 HydrophobicContact CG-CD2 4.28Å; L813-L868 HydrophobicContact CD2-CD1 3.75Å; L813-L868 VanDerWaalsContact CD2-O 3.27Å; L813-L868 WeakPolarHBondContact CD2-O 3.43Å; L813-R871 HydrophobicContact CD2-CB 3.58Å; L813-R871 HydrophobicContact CG-CB 4.31Å; L813-I872 HydrophobicContact CD1-CG1 3.68Å; L813-I872 HydrophobicContact CD2-CG1 3.99Å; L813-V880 HydrophobicContact CD1-CG1 4.13Å
814	T	93.8	Very high	91.7	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-55.1	-38.8	178.3	-77.4	0	0	0	0	112.8	V665 V667 E696 P697 I698 L810 T811 E817 Y818 R871	V665-T814 HydrophobicContact CG2-CG2 3.95Å; V667-T814 HydrophobicContact CG1-CG2 4.18Å; E696-T814 HydrophobicContact CB-CG2 3.41Å; E696-T814 VanDerWaalsContact CB-CG2 3.41Å; P697-T814 WeakPolarHBondContact O-CG2 3.43Å; P697-T814 PolarHBondContact O-OG1 3.46Å; I698-T814 WeakPolarHBondContact CA-OG1 3.29Å; L810-T814 PolarHBondContact O-N 3.31Å; L810-T814 PolarHBondContact O-OG1 2.87Å; T811-T814 PolarHBondContact O-N 3.05Å; T814-E817 PolarHBondContact O-N 2.73Å; T814-Y818 PolarHBondContact O-N 3.22Å; T814-R871 PolarHBondContact OG1-NH2 3.49Å
815	I	93.2	Very high	91.5	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-67	-42.5	176.4	-65.3	143	0	0	0	111.6	V665 P666 V667 F676 V764 A792 V794 T811 G812 L813 E817 Y818 F819	V665-I815 HydrophobicContact CG2-CG1 4.49Å; P666-I815 WeakPolarHBondContact O-CG1 3.09Å; V667-I815 HydrophobicContact CG1-CG1 4.04Å; F676-I815 HydrophobicContact CE2-CD1 3.41Å; F676-I815 VanDerWaalsContact CE2-CD1 3.41Å; F676-I815 HydrophobicContact CZ-CD1 3.55Å; V764-I815 HydrophobicContact CG1-CB 4.44Å; V764-I815 HydrophobicContact CG1-CG2 4.42Å; V764-I815 HydrophobicContact CG2-CB 4.41Å; V764-I815 HydrophobicContact CG2-CG2 3.87Å; A792-I815 HydrophobicContact CB-CG2 4.27Å; V794-I815 HydrophobicContact CG2-CD1 3.99Å; T811-I815 HydrophobicContact CG2-CD1 4.28Å; T811-I815 WeakPolarHBondContact O-CD1 3.43Å; T811-I815 PolarHBondContact O-N 3.34Å; G812-I815 PolarHBondContact O-N 2.93Å; L813-I815 PolarHBondContact O-N 3.04Å; I815-E817 VanDerWaalsContact C-N 3.29Å; I815-E817 PolarHBondContact O-N 3.35Å; I815-Y818 PolarHBondContact O-N 2.81Å; I815-F819 HydrophobicContact CG2-CD2 4.19Å; I815-F819 HydrophobicContact CG2-CE2 3.84Å; I815-F819 WeakPolarHBondContact O-CD2 3.4Å; I815-F819 PolarHBondContact O-N 3.08Å
816	A	93.7	Very high	91.3	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-64.6	-34.8	174.2	0	0	0	0	0	112.1	V764 G812 L813 F819 R820 V827 L829 V880	V764-A816 HydrophobicContact CG2-CB 4.03Å; G812-A816 PolarHBondContact O-N 2.69Å; G812-A816 VanDerWaalsContact O-N 3.15Å; L813-A816 CarbonylContact O-C 3.56Å; L813-A816 WeakPolarHBondContact O-CA 3.32Å; L813-A816 WeakPolarHBondContact O-CB 3.38Å; L813-A816 PolarHBondContact O-N 2.59Å; A816-F819 PolarHBondContact O-N 2.98Å; A816-R820 PolarHBondContact O-N 2.87Å; A816-V827 HydrophobicContact CB-CB 4.49Å; A816-V827 HydrophobicContact CB-CG1 3.83Å; A816-L829 HydrophobicContact CB-CB 4.33Å; A816-L829 HydrophobicContact CB-CD1 4.44Å; A816-V880 HydrophobicContact CB-CG1 3.87Å; A816-V880 HydrophobicContact CB-CG2 3.9Å; A816-V880 WeakPolarHBondContact O-CG2 3.34Å
817	E	92.5	Very high	91.3	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.009	9%	0.091	C	C	.	.	H	α-helix	trans	-68.2	-35	175.4	-67.8	-172.2	118.8	0	0	112.7	K700 L813 T814 I815 R820 D821 R871 V880	K700-E817 WeakPolarHBondContact CD-OE2 3.2Å; L813-E817 HydrophobicContact CD1-CG 3.84Å; L813-E817 HydrophobicContact CG-CG 4.18Å; L813-E817 WeakPolarHBondContact O-CG 3.02Å; L813-E817 PolarHBondContact O-N 2.92Å; T814-E817 PolarHBondContact O-N 2.73Å; I815-E817 VanDerWaalsContact C-N 3.29Å; I815-E817 PolarHBondContact O-N 3.35Å; E817-R820 VanDerWaalsContact CG-NH2 3.34Å; E817-R820 PolarHBondContact O-N 2.74Å; E817-R820 IonicContact OE1-CZ 3.71Å; E817-R820 IonicContact OE1-NH1 2.76Å; E817-R820 IonicContact OE1-NH2 2.88Å; E817-R820 PolarHBondContact OE1-NH2 2.85Å; E817-D821 WeakPolarHBondContact O-CB 3.17Å; E817-D821 PolarHBondContact O-N 3.08Å; E817-R871 WeakPolarHBondContact OE1-CB 3.42Å; E817-R871 IonicContact OE1-NE 2.68Å; E817-R871 IonicContact OE2-CZ 3.83Å; E817-R871 IonicContact OE2-NE 3.16Å; E817-R871 PolarHBondContact OE2-NE 3Å; E817-R871 IonicContact OE2-NH2 2.72Å; E817-R871 PolarHBondContact OE2-NH2 2.96Å; E817-V880 HydrophobicContact CG-CG2 4.46Å
818	Y	92	Very high	91.3	Very high	37 Å²	37	15.6 Å²	15.6	15%	0.145	9%	0.087	C	C	.	.	H	α-helix	trans	-59.5	-47.7	170.5	-179.3	-87.3	0	0	0	111.6	V667 G668 T814 I815 R820 D821 V822 E823	V667-Y818 HydrophobicContact CB-CD1 4.29Å; V667-Y818 HydrophobicContact CB-CD2 3.88Å; V667-Y818 HydrophobicContact CB-CG 3.67Å; V667-Y818 HydrophobicContact CG2-CD1 4.42Å; V667-Y818 HydrophobicContact CG2-CD2 3.32Å; V667-Y818 HydrophobicContact CG2-CE2 3.76Å; V667-Y818 HydrophobicContact CG2-CG 3.68Å; G668-Y818 VanDerWaalsContact CA-CD1 3.43Å; T814-Y818 PolarHBondContact O-N 3.22Å; I815-Y818 PolarHBondContact O-N 2.81Å; Y818-R820 VanDerWaalsContact C-N 3.33Å; Y818-R820 PolarHBondContact O-N 2.87Å; Y818-D821 PolarHBondContact O-N 2.89Å; Y818-V822 HydrophobicContact CD1-CB 4.4Å; Y818-V822 HydrophobicContact CD2-CB 3.89Å; Y818-V822 HydrophobicContact CD2-CG1 4.37Å; Y818-V822 HydrophobicContact CD2-CG2 3.57Å; Y818-V822 HydrophobicContact CE1-CB 4.24Å; Y818-V822 HydrophobicContact CE1-CG1 4.4Å; Y818-V822 HydrophobicContact CE2-CB 3.74Å; Y818-V822 HydrophobicContact CE2-CG1 3.72Å; Y818-V822 HydrophobicContact CE2-CG2 3.72Å; Y818-V822 HydrophobicContact CG-CB 4.24Å; Y818-V822 HydrophobicContact CG-CG2 4.2Å; Y818-V822 WeakPolarHBondContact O-CA 3.27Å; Y818-V822 VanDerWaalsContact O-CB 3.32Å; Y818-V822 WeakPolarHBondContact O-CB 3.48Å; Y818-V822 PolarHBondContact O-N 3.1Å; Y818-E823 HydrophobicContact CD1-CG 4.23Å; Y818-E823 HydrophobicContact CE1-CG 3.71Å; Y818-E823 PolarHBondContact O-N 2.87Å
819	F	91.8	Very high	91.3	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-67.3	-33.9	179.7	-69.8	-64.7	0	0	0	112.4	G668 K669 L672 I762 I815 A816 E823 G824 Q825 V827	G668-F819 VanDerWaalsContact O-CZ 3.31Å; G668-F819 WeakPolarHBondContact O-CZ 3.3Å; K669-F819 HydrophobicContact CG-CE1 4.11Å; L672-F819 HydrophobicContact CD1-CZ 4.47Å; L672-F819 HydrophobicContact CD2-CE2 4.08Å; L672-F819 HydrophobicContact CD2-CZ 3.85Å; L672-F819 HydrophobicContact CG-CZ 4.16Å; I762-F819 HydrophobicContact CD1-CD1 3.45Å; I762-F819 VanDerWaalsContact CD1-CD1 3.45Å; I762-F819 HydrophobicContact CD1-CD2 4.41Å; I762-F819 HydrophobicContact CD1-CE1 3.4Å; I762-F819 VanDerWaalsContact CD1-CE1 3.4Å; I762-F819 HydrophobicContact CD1-CE2 4.37Å; I762-F819 HydrophobicContact CD1-CG 3.97Å; I762-F819 HydrophobicContact CD1-CZ 3.88Å; I762-F819 HydrophobicContact CG2-CD2 3.84Å; I762-F819 HydrophobicContact CG2-CE2 3.9Å; I762-F819 HydrophobicContact CG2-CG 4.25Å; I762-F819 HydrophobicContact CG2-CZ 4.35Å; I815-F819 HydrophobicContact CG2-CD2 4.19Å; I815-F819 HydrophobicContact CG2-CE2 3.84Å; I815-F819 WeakPolarHBondContact O-CD2 3.4Å; I815-F819 PolarHBondContact O-N 3.08Å; A816-F819 PolarHBondContact O-N 2.98Å; F819-E823 HydrophobicContact CD1-CB 4.46Å; F819-E823 HydrophobicContact CD1-CG 4.15Å; F819-G824 PolarHBondContact O-N 3.19Å; F819-Q825 WeakPolarHBondContact O-CB 3.5Å; F819-Q825 PolarHBondContact O-N 3.41Å; F819-V827 HydrophobicContact CB-CG2 3.54Å
820	R	91.7	Very high	91.3	Very high	1 Å²	1	15.7 Å²	15.7	0%	0.004	9%	0.088	C	C	.	.	H	α-helix	trans	-65	-56.4	170.8	177.9	-173.8	66.9	-145.3	-6.5	112.3	A816 E817 Y818 G824 R871 T873 V880	A816-R820 PolarHBondContact O-N 2.87Å; E817-R820 VanDerWaalsContact CG-NH2 3.34Å; E817-R820 PolarHBondContact O-N 2.74Å; E817-R820 IonicContact OE1-CZ 3.71Å; E817-R820 IonicContact OE1-NH1 2.76Å; E817-R820 IonicContact OE1-NH2 2.88Å; E817-R820 PolarHBondContact OE1-NH2 2.85Å; Y818-R820 VanDerWaalsContact C-N 3.33Å; Y818-R820 PolarHBondContact O-N 2.87Å; R820-G824 VanDerWaalsContact O-CA 3.3Å; R820-G824 WeakPolarHBondContact O-CA 3.42Å; R820-G824 PolarHBondContact O-N 3.26Å; R820-R871 PolarHBondContact NH1-O 3.13Å; R820-T873 VanDerWaalsContact CD-O 3.3Å; R820-T873 WeakPolarHBondContact CD-O 3.36Å; R820-T873 PolarHBondContact NH1-O 2.99Å; R820-V880 HydrophobicContact CB-CG2 3.79Å; R820-V880 HydrophobicContact CG-CG2 4.42Å
821	D	89.4	Confident	91.2	Very high	18 Å²	18	15.1 Å²	15.1	10%	0.096	9%	0.085	C	C	.	.	H	α-helix	trans	-93.3	-30.3	-162.4	-64.8	-40.2	0	0	0	112.9	T578 N579 E817 Y818 T875 K877	T578-D821 CarbonylContact C-O 3.48Å; N579-D821 CarbonylContact C-O 3.02Å; N579-D821 WeakPolarHBondContact CA-O 3.46Å; N579-D821 PolarHBondContact N-O 2.92Å; E817-D821 WeakPolarHBondContact O-CB 3.17Å; E817-D821 PolarHBondContact O-N 3.08Å; Y818-D821 PolarHBondContact O-N 2.89Å; D821-T875 WeakPolarHBondContact OD1-CG2 3.34Å; D821-T875 PolarHBondContact OD1-OG1 3.21Å; D821-T875 VanDerWaalsContact OD1-OG1 3.12Å; D821-K877 HydrophobicContact CB-CD 3.99Å
822	V	88.2	Confident	90.9	Very high	46 Å²	46	16.8 Å²	16.8	28%	0.279	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-38.8	-179.8	-173.3	0	0	0	0	111.9	Y818	Y818-V822 HydrophobicContact CD1-CB 4.4Å; Y818-V822 HydrophobicContact CD2-CB 3.89Å; Y818-V822 HydrophobicContact CD2-CG1 4.37Å; Y818-V822 HydrophobicContact CD2-CG2 3.57Å; Y818-V822 HydrophobicContact CE1-CB 4.24Å; Y818-V822 HydrophobicContact CE1-CG1 4.4Å; Y818-V822 HydrophobicContact CE2-CB 3.74Å; Y818-V822 HydrophobicContact CE2-CG1 3.72Å; Y818-V822 HydrophobicContact CE2-CG2 3.72Å; Y818-V822 HydrophobicContact CG-CB 4.24Å; Y818-V822 HydrophobicContact CG-CG2 4.2Å; Y818-V822 WeakPolarHBondContact O-CA 3.27Å; Y818-V822 VanDerWaalsContact O-CB 3.32Å; Y818-V822 WeakPolarHBondContact O-CB 3.48Å; Y818-V822 PolarHBondContact O-N 3.1Å
823	E	88.6	Confident	90.5	Very high	69 Å²	69	17.8 Å²	17.8	32%	0.322	10%	0.099	S	C	.	.	S	Bend	trans	-97.8	-8.9	-178.6	-63.4	-91.7	-166.6	0	0	113.4	K669 Y818 F819 Q825	K669-E823 IonicContact NZ-OE1 3.63Å; K669-E823 PolarHBondContact NZ-OE1 2.89Å; K669-E823 IonicContact NZ-OE2 2.65Å; K669-E823 PolarHBondContact NZ-OE2 2.91Å; Y818-E823 HydrophobicContact CD1-CG 4.23Å; Y818-E823 HydrophobicContact CE1-CG 3.71Å; Y818-E823 PolarHBondContact O-N 2.87Å; F819-E823 HydrophobicContact CD1-CB 4.46Å; F819-E823 HydrophobicContact CD1-CG 4.15Å; E823-Q825 HydrophobicContact CB-CG 3.93Å
824	G	86.8	Confident	90.2	Very high	37 Å²	37	17.9 Å²	17.9	38%	0.381	10%	0.099	S	C	.	.			trans	68.9	30.4	176.9	0	0	0	0	0	114.6	F819 R820 K877	F819-G824 PolarHBondContact O-N 3.19Å; R820-G824 VanDerWaalsContact O-CA 3.3Å; R820-G824 WeakPolarHBondContact O-CA 3.42Å; R820-G824 PolarHBondContact O-N 3.26Å; G824-K877 CarbonylContact C-O 3.52Å; G824-K877 WeakPolarHBondContact CA-O 3.35Å
825	Q	85.5	Confident	89.9	Confident	48 Å²	48	18.3 Å²	18.3	22%	0.224	10%	0.101	C	C	.	.			trans	-101.1	158.3	-171.9	-56.5	-169.6	-88.1	0	0	113.4	I762 F819 E823 V827 S879	I762-Q825 VanDerWaalsContact CD1-OE1 3.29Å; F819-Q825 WeakPolarHBondContact O-CB 3.5Å; F819-Q825 PolarHBondContact O-N 3.41Å; E823-Q825 HydrophobicContact CB-CG 3.93Å; Q825-V827 HydrophobicContact CB-CG2 4.38Å; Q825-S879 PolarHBondContact O-N 3.15Å
826	D	87.9	Confident	89.7	Confident	53 Å²	53	22.2 Å²	22.2	28%	0.283	12%	0.116	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	125.7	163	-74.9	-39.8	0	0	0	109.2	K730 S879	K730-D826 WeakPolarHBondContact CD-OD2 3.28Å; K730-D826 WeakPolarHBondContact CE-OD2 3.49Å; K730-D826 IonicContact NZ-OD2 2.59Å; K730-D826 PolarHBondContact NZ-OD2 2.82Å; D826-S879 VanDerWaalsContact OD1-CB 3.31Å; D826-S879 WeakPolarHBondContact OD1-CB 3.45Å; D826-S879 PolarHBondContact OD1-N 3.47Å; D826-S879 PolarHBondContact OD1-OG 3.24Å
827	V	90.2	Very high	89.4	Confident	3 Å²	3	22.5 Å²	22.5	2%	0.018	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	134.7	-168.3	-166.1	0	0	0	0	110.6	I762 V764 A816 F819 Q825 S879 T881	I762-V827 HydrophobicContact CG2-CG1 4.37Å; I762-V827 WeakPolarHBondContact O-CA 3.32Å; I762-V827 WeakPolarHBondContact O-CG1 3.43Å; V764-V827 HydrophobicContact CG2-CG1 4.33Å; A816-V827 HydrophobicContact CB-CB 4.49Å; A816-V827 HydrophobicContact CB-CG1 3.83Å; F819-V827 HydrophobicContact CB-CG2 3.54Å; Q825-V827 HydrophobicContact CB-CG2 4.38Å; V827-S879 PolarHBondContact N-O 2.86Å; V827-T881 PolarHBondContact O-N 3.46Å
828	L	92	Very high	89.3	Confident	1 Å²	1	22.4 Å²	22.4	1%	0.005	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	125.2	168.2	-79.7	-179.1	0	0	0	111.1	L715 I755 I762 S763 V764 F830 T881 I883	L715-L828 HydrophobicContact CD2-CD2 3.78Å; I755-L828 HydrophobicContact CB-CD1 4.32Å; I755-L828 HydrophobicContact CD1-CD1 3.62Å; I755-L828 HydrophobicContact CD1-CD2 4.36Å; I755-L828 HydrophobicContact CD1-CG 4.14Å; I755-L828 HydrophobicContact CG2-CD1 4.35Å; I755-L828 HydrophobicContact CG2-CG 4.48Å; I762-L828 PolarHBondContact O-N 2.97Å; S763-L828 CarbonylContact C-O 3.53Å; S763-L828 WeakPolarHBondContact CA-O 3.35Å; V764-L828 PolarHBondContact N-O 3.46Å; L828-F830 HydrophobicContact CB-CD2 4.4Å; L828-F830 HydrophobicContact CB-CE2 3.8Å; L828-F830 HydrophobicContact CB-CZ 4.45Å; L828-F830 HydrophobicContact CD1-CE2 3.82Å; L828-F830 HydrophobicContact CD1-CZ 3.79Å; L828-F830 HydrophobicContact CG-CE2 4.4Å; L828-T881 CarbonylContact C-O 3.5Å; L828-T881 WeakPolarHBondContact CA-O 3.38Å; L828-T881 HydrophobicContact CD2-CG2 4.37Å; L828-I883 HydrophobicContact CD2-CD1 3.94Å; L828-I883 HydrophobicContact CD2-CG1 4.29Å
829	L	93.2	Very high	89.1	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	106.1	171.2	177.4	64.2	0	0	0	110.6	V764 L813 A816 I831 I872 V880 T881 S882 I883	V764-L829 HydrophobicContact CB-CD1 4Å; V764-L829 HydrophobicContact CG1-CD1 4.14Å; V764-L829 WeakPolarHBondContact O-CA 3.29Å; L813-L829 HydrophobicContact CB-CD2 3.9Å; L813-L829 HydrophobicContact CD1-CD2 3.62Å; L813-L829 HydrophobicContact CG-CD2 4.28Å; A816-L829 HydrophobicContact CB-CB 4.33Å; A816-L829 HydrophobicContact CB-CD1 4.44Å; L829-I831 HydrophobicContact CD2-CD1 4.11Å; L829-I831 HydrophobicContact CD2-CG1 4.38Å; L829-I831 HydrophobicContact CG-CD1 4.32Å; L829-I831 HydrophobicContact CG-CG1 4.05Å; L829-I872 HydrophobicContact CD2-CD1 4.26Å; L829-I872 HydrophobicContact CD2-CG1 4.21Å; L829-V880 HydrophobicContact CB-CG1 3.75Å; L829-V880 HydrophobicContact CD2-CG1 4.12Å; L829-T881 PolarHBondContact N-O 2.97Å; L829-S882 CarbonylContact O-C 3.58Å; L829-S882 WeakPolarHBondContact O-CA 3.49Å; L829-I883 PolarHBondContact O-N 3.02Å
830	F	92.3	Very high	89	Confident	2 Å²	2	23.5 Å²	23.5	1%	0.009	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	135.4	172.4	-63.1	-91.3	0	0	0	110.5	I748 L751 I752 V764 F765 T766 L828 I883	I748-F830 HydrophobicContact CB-CD1 4.31Å; I748-F830 HydrophobicContact CB-CE1 4.02Å; I748-F830 HydrophobicContact CD1-CD1 4.29Å; I748-F830 HydrophobicContact CG1-CD1 3.85Å; I748-F830 HydrophobicContact CG1-CE1 3.77Å; I748-F830 HydrophobicContact CG2-CD1 3.74Å; I748-F830 HydrophobicContact CG2-CE1 3.66Å; I748-F830 HydrophobicContact CG2-CE2 4.47Å; I748-F830 HydrophobicContact CG2-CG 4.18Å; I748-F830 HydrophobicContact CG2-CZ 4.03Å; L751-F830 HydrophobicContact CB-CZ 4.23Å; I752-F830 HydrophobicContact CD1-CD2 4.34Å; I752-F830 HydrophobicContact CD1-CE2 3.89Å; I752-F830 HydrophobicContact CD1-CZ 4.33Å; I752-F830 HydrophobicContact CG1-CD2 4.28Å; I752-F830 HydrophobicContact CG1-CE2 3.39Å; I752-F830 HydrophobicContact CG1-CZ 3.75Å; V764-F830 PolarHBondContact O-N 3Å; F765-F830 HydrophobicContact CD2-CB 3.59Å; F765-F830 HydrophobicContact CD2-CG 4.16Å; F765-F830 HydrophobicContact CE2-CB 4.03Å; F765-F830 HydrophobicContact CG-CB 4.36Å; T766-F830 WeakPolarHBondContact CA-O 3.47Å; T766-F830 VanDerWaalsContact CB-O 3.22Å; T766-F830 WeakPolarHBondContact CB-O 3.4Å; T766-F830 PolarHBondContact N-O 3.12Å; T766-F830 PolarHBondContact OG1-O 3.13Å; L828-F830 HydrophobicContact CB-CD2 4.4Å; L828-F830 HydrophobicContact CB-CE2 3.8Å; L828-F830 HydrophobicContact CB-CZ 4.45Å; L828-F830 HydrophobicContact CD1-CE2 3.82Å; L828-F830 HydrophobicContact CD1-CZ 3.79Å; L828-F830 HydrophobicContact CG-CE2 4.4Å; F830-I883 WeakPolarHBondContact CA-O 3.44Å; F830-I883 HydrophobicContact CD1-CB 3.71Å; F830-I883 HydrophobicContact CD1-CG2 3.98Å; F830-I883 HydrophobicContact CE1-CB 3.79Å; F830-I883 HydrophobicContact CE1-CD1 3.78Å; F830-I883 HydrophobicContact CE1-CG1 4.24Å; F830-I883 HydrophobicContact CE1-CG2 3.96Å; F830-I883 HydrophobicContact CZ-CD1 4.12Å
831	I	91	Very high	88.9	Confident	1 Å²	1	23.5 Å²	23.5	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	97	175.1	-50	-178	0	0	0	108.6	V768 L829 I834 I872 I883 Q884 A885	V768-I831 HydrophobicContact CG2-CG2 3.54Å; L829-I831 HydrophobicContact CD2-CD1 4.11Å; L829-I831 HydrophobicContact CD2-CG1 4.38Å; L829-I831 HydrophobicContact CG-CD1 4.32Å; L829-I831 HydrophobicContact CG-CG1 4.05Å; I831-I834 HydrophobicContact CG2-CB 4.49Å; I831-I834 HydrophobicContact CG2-CD1 4.34Å; I831-I872 HydrophobicContact CD1-CD1 4.38Å; I831-I883 PolarHBondContact N-O 2.87Å; I831-Q884 HydrophobicContact CB-CB 4.48Å; I831-Q884 HydrophobicContact CB-CG 4.17Å; I831-Q884 HydrophobicContact CD1-CG 4.18Å; I831-Q884 HydrophobicContact CG1-CG 4.31Å; I831-Q884 CarbonylContact O-C 3.15Å; I831-Q884 WeakPolarHBondContact O-CA 3.21Å; I831-A885 PolarHBondContact O-N 3.47Å
832	D	88.1	Confident	88.9	Confident	35 Å²	35	23.7 Å²	23.7	19%	0.187	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	103.6	169.8	-155.8	-18	0	0	0	108.9	F765 T766 G767 V768 A885	F765-D832 HydrophobicContact CZ-CB 4.21Å; T766-D832 PolarHBondContact O-N 3.06Å; G767-D832 CarbonylContact C-O 3.51Å; G767-D832 WeakPolarHBondContact CA-O 3.25Å; V768-D832 PolarHBondContact N-O 3.01Å; D832-A885 HydrophobicContact CB-CB 3.92Å; D832-A885 VanDerWaalsContact OD1-CB 3.27Å; D832-A885 WeakPolarHBondContact OD1-CB 3.4Å; D832-A885 WeakPolarHBondContact OD2-CB 3.34Å
833	N	84.8	Confident	88.9	Confident	21 Å²	21	25.4 Å²	25.4	11%	0.112	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	cis	-129.3	133	11.8	-152.1	-87.1	0	0	0	112.8	V768 F835 R836 F837 A885 Y887	V768-N833 PolarHBondContact O-N 3.46Å; N833-F835 PolarHBondContact O-N 3.36Å; N833-F835 VanDerWaalsContact OD1-CB 3.27Å; N833-F835 WeakPolarHBondContact OD1-CB 3.34Å; N833-F835 PolarHBondContact OD1-N 2.75Å; N833-R836 HydrophobicContact CB-CB 4.37Å; N833-R836 HydrophobicContact CB-CG 3.92Å; N833-R836 WeakPolarHBondContact O-CB 3.41Å; N833-R836 PolarHBondContact O-N 2.89Å; N833-F837 PolarHBondContact O-N 3.16Å; N833-A885 PolarHBondContact ND2-O 3.34Å; N833-A885 PolarHBondContact OD1-O 3.27Å; N833-A885 VanDerWaalsContact OD1-O 3.1Å; N833-Y887 PolarHBondContact OD1-N 3.47Å; N833-Y887 VanDerWaalsContact OD1-N 3.16Å
834	I	88.4	Confident	88.8	Confident	1 Å²	1	22.3 Å²	22.3	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-63.4	-26.7	178.8	-166.4	63.7	0	0	0	112.5	I831 R836 F837 T838 M865 L868 Q884 A885 I886 A901	I831-I834 HydrophobicContact CG2-CB 4.49Å; I831-I834 HydrophobicContact CG2-CD1 4.34Å; I834-R836 VanDerWaalsContact C-N 3.29Å; I834-R836 PolarHBondContact O-N 3.17Å; I834-F837 HydrophobicContact CD1-CB 4.33Å; I834-F837 HydrophobicContact CD1-CD1 4.24Å; I834-F837 HydrophobicContact CD1-CG 4.45Å; I834-F837 WeakPolarHBondContact O-CB 3.45Å; I834-F837 PolarHBondContact O-N 2.92Å; I834-T838 PolarHBondContact O-N 2.7Å; I834-M865 HydrophobicContact CD1-CE 4.28Å; I834-M865 HydrophobicContact CD1-SD 4.09Å; I834-M865 HydrophobicContact CG1-CE 4.03Å; I834-M865 HydrophobicContact CG1-SD 4.09Å; I834-L868 HydrophobicContact CD1-CD2 3.55Å; I834-Q884 HydrophobicContact CB-CB 4.41Å; I834-Q884 HydrophobicContact CG2-CB 4.38Å; I834-A885 PolarHBondContact N-O 3.35Å; I834-A885 VanDerWaalsContact N-O 3.12Å; I834-I886 HydrophobicContact CG2-CB 4.31Å; I834-I886 HydrophobicContact CG2-CD1 4.09Å; I834-I886 HydrophobicContact CG2-CG1 3.7Å; I834-I886 HydrophobicContact CG2-CG2 4.28Å; I834-A901 HydrophobicContact CG2-CB 4.4Å
835	F	87.8	Confident	88.8	Confident	9 Å²	9	20.8 Å²	20.8	4%	0.039	10%	0.1	C	C	.	.	H	α-helix	trans	-66.4	-30.7	172.6	-179.4	-101.9	0	0	0	112.4	N833 T838 Q839 Y887 P889 A897	N833-F835 PolarHBondContact O-N 3.36Å; N833-F835 VanDerWaalsContact OD1-CB 3.27Å; N833-F835 WeakPolarHBondContact OD1-CB 3.34Å; N833-F835 PolarHBondContact OD1-N 2.75Å; F835-T838 PolarHBondContact O-N 2.8Å; F835-Q839 HydrophobicContact CD1-CG 4.16Å; F835-Q839 HydrophobicContact CE1-CG 3.74Å; F835-Q839 VanDerWaalsContact CE1-NE2 3.26Å; F835-Q839 HydrophobicContact CZ-CG 3.98Å; F835-Q839 WeakPolarHBondContact O-CG 3.49Å; F835-Q839 PolarHBondContact O-N 2.99Å; F835-Y887 AromaticContact CD1-CD1 3.7Å; F835-Y887 HydrophobicContact CD1-CD1 3.7Å; F835-Y887 HydrophobicContact CD1-CG 4.32Å; F835-Y887 AromaticContact CE1-CD1 3.62Å; F835-Y887 HydrophobicContact CE1-CD1 3.62Å; F835-Y887 HydrophobicContact CE1-CE1 4.23Å; F835-Y887 HydrophobicContact CG-CD1 4.31Å; F835-Y887 HydrophobicContact CZ-CD1 4.19Å; F835-P889 HydrophobicContact CD2-CG 4.46Å; F835-P889 HydrophobicContact CE1-CG 4.38Å; F835-P889 HydrophobicContact CE2-CG 3.49Å; F835-P889 VanDerWaalsContact CE2-CG 3.49Å; F835-P889 HydrophobicContact CZ-CG 3.45Å; F835-P889 VanDerWaalsContact CZ-CG 3.45Å; F835-A897 HydrophobicContact CD2-CB 3.77Å; F835-A897 HydrophobicContact CE2-CB 3.69Å
836	R	87	Confident	88.9	Confident	83 Å²	83	21.9 Å²	21.9	31%	0.313	12%	0.118	S	C	.	.	H	α-helix	trans	-72.6	-30.9	175.9	-67.2	-63.6	-166.6	-163.6	1.5	112.7	V768 N833 I834 Q839 A840	V768-R836 HydrophobicContact CB-CB 4.42Å; V768-R836 HydrophobicContact CG1-CB 3.98Å; V768-R836 WeakPolarHBondContact O-CB 3.42Å; V768-R836 WeakPolarHBondContact O-CG 3.38Å; N833-R836 HydrophobicContact CB-CB 4.37Å; N833-R836 HydrophobicContact CB-CG 3.92Å; N833-R836 WeakPolarHBondContact O-CB 3.41Å; N833-R836 PolarHBondContact O-N 2.89Å; I834-R836 VanDerWaalsContact C-N 3.29Å; I834-R836 PolarHBondContact O-N 3.17Å; R836-Q839 PolarHBondContact O-N 2.91Å; R836-A840 VanDerWaalsContact O-CB 3.3Å; R836-A840 WeakPolarHBondContact O-CB 3.31Å; R836-A840 PolarHBondContact O-N 3.04Å
837	F	89.1	Confident	88.7	Confident	5 Å²	5	22.7 Å²	22.7	2%	0.022	12%	0.122	C	C	.	.	H	α-helix	trans	-59.7	-48.7	168.8	165.4	-93	0	0	0	110.1	V768 M806 A809 N833 I834 Q839 A840 G841 M865 L868	V768-F837 HydrophobicContact CG1-CB 3.98Å; M806-F837 HydrophobicContact CG-CD2 4.47Å; M806-F837 HydrophobicContact CG-CE2 4.3Å; M806-F837 WeakPolarHBondContact O-CD2 3.27Å; M806-F837 VanDerWaalsContact O-CE2 3.24Å; M806-F837 WeakPolarHBondContact O-CE2 3.18Å; A809-F837 HydrophobicContact CB-CD2 3.93Å; A809-F837 HydrophobicContact CB-CE2 4.44Å; N833-F837 PolarHBondContact O-N 3.16Å; I834-F837 HydrophobicContact CD1-CB 4.33Å; I834-F837 HydrophobicContact CD1-CD1 4.24Å; I834-F837 HydrophobicContact CD1-CG 4.45Å; I834-F837 WeakPolarHBondContact O-CB 3.45Å; I834-F837 PolarHBondContact O-N 2.92Å; F837-Q839 PolarHBondContact O-N 2.83Å; F837-A840 PolarHBondContact O-N 2.92Å; F837-G841 PolarHBondContact O-N 3.41Å; F837-M865 HydrophobicContact CD1-CE 3.96Å; F837-M865 HydrophobicContact CE1-CE 4.07Å; F837-L868 HydrophobicContact CD1-CD2 4.27Å; F837-L868 HydrophobicContact CD2-CD2 4.36Å; F837-L868 HydrophobicContact CE1-CD2 4.08Å; F837-L868 HydrophobicContact CE2-CD2 4.17Å; F837-L868 HydrophobicContact CG-CD2 4.4Å; F837-L868 HydrophobicContact CZ-CB 4.43Å; F837-L868 HydrophobicContact CZ-CD2 4.03Å
838	T	89.3	Confident	88.4	Confident	1 Å²	1	23 Å²	23	1%	0.006	12%	0.124	C	C	.	.	H	α-helix	trans	-59.9	-45.8	176.1	-63.3	0	0	0	0	112.7	I834 F835 A840 G841 S842 Y857 Q858 L861 M865 A897	I834-T838 PolarHBondContact O-N 2.7Å; F835-T838 PolarHBondContact O-N 2.8Å; T838-A840 PolarHBondContact O-N 3.49Å; T838-G841 PolarHBondContact O-N 3.44Å; T838-S842 PolarHBondContact O-N 3.03Å; T838-S842 PolarHBondContact O-OG 3.3Å; T838-Y857 HydrophobicContact CG2-CD1 3.73Å; T838-Y857 HydrophobicContact CG2-CE1 3.88Å; T838-Q858 PolarHBondContact O-OE1 3.16Å; T838-L861 HydrophobicContact CG2-CD1 3.48Å; T838-L861 VanDerWaalsContact CG2-CD1 3.48Å; T838-L861 HydrophobicContact CG2-CD2 4.17Å; T838-L861 HydrophobicContact CG2-CG 4.49Å; T838-M865 WeakPolarHBondContact OG1-CE 3.35Å; T838-A897 HydrophobicContact CG2-CB 3.45Å; T838-A897 VanDerWaalsContact CG2-CB 3.45Å
839	Q	88.5	Confident	87.8	Confident	60 Å²	60	24.7 Å²	24.7	28%	0.28	14%	0.141	S	C	.	.	H	α-helix	trans	-62.1	-41.6	176.7	-71.9	-167.5	-44.7	0	0	112.6	F835 R836 F837 G841 S842 E843	F835-Q839 HydrophobicContact CD1-CG 4.16Å; F835-Q839 HydrophobicContact CE1-CG 3.74Å; F835-Q839 VanDerWaalsContact CE1-NE2 3.26Å; F835-Q839 HydrophobicContact CZ-CG 3.98Å; F835-Q839 WeakPolarHBondContact O-CG 3.49Å; F835-Q839 PolarHBondContact O-N 2.99Å; R836-Q839 PolarHBondContact O-N 2.91Å; F837-Q839 PolarHBondContact O-N 2.83Å; Q839-G841 VanDerWaalsContact C-N 3.32Å; Q839-G841 PolarHBondContact O-N 3.01Å; Q839-S842 WeakPolarHBondContact O-CB 3.47Å; Q839-S842 PolarHBondContact O-N 2.81Å; Q839-S842 VanDerWaalsContact O-N 3.15Å; Q839-E843 PolarHBondContact O-N 3.08Å
840	A	89.7	Confident	87.1	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62	-40.1	175.3	0	0	0	0	0	111.8	P802 R805 M806 R836 F837 T838 S842 E843 V844	P802-A840 HydrophobicContact CB-CB 4.43Å; R805-A840 HydrophobicContact CB-CB 3.77Å; M806-A840 HydrophobicContact CB-CB 4Å; R836-A840 VanDerWaalsContact O-CB 3.3Å; R836-A840 WeakPolarHBondContact O-CB 3.31Å; R836-A840 PolarHBondContact O-N 3.04Å; F837-A840 PolarHBondContact O-N 2.92Å; T838-A840 PolarHBondContact O-N 3.49Å; A840-S842 PolarHBondContact O-N 2.82Å; A840-E843 PolarHBondContact O-N 2.88Å; A840-V844 WeakPolarHBondContact O-CB 3.35Å; A840-V844 WeakPolarHBondContact O-CG2 3.5Å; A840-V844 PolarHBondContact O-N 3.2Å
841	G	89.1	Confident	86.5	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63.4	-35.6	172.1	0	0	0	0	0	113.8	F837 T838 Q839 S845	F837-G841 PolarHBondContact O-N 3.41Å; T838-G841 PolarHBondContact O-N 3.44Å; Q839-G841 VanDerWaalsContact C-N 3.32Å; Q839-G841 PolarHBondContact O-N 3.01Å; G841-S845 WeakPolarHBondContact O-CB 3.28Å; G841-S845 PolarHBondContact O-N 2.82Å
842	S	89	Confident	86	Confident	22 Å²	22	33 Å²	33	15%	0.154	19%	0.185	C	C	.	.	H	α-helix	trans	-66.9	-43.3	172.4	-66.2	0	0	0	0	112.7	T838 Q839 A840 S845 A846 Y857 Q858	T838-S842 PolarHBondContact O-N 3.03Å; T838-S842 PolarHBondContact O-OG 3.3Å; Q839-S842 WeakPolarHBondContact O-CB 3.47Å; Q839-S842 PolarHBondContact O-N 2.81Å; Q839-S842 VanDerWaalsContact O-N 3.15Å; A840-S842 PolarHBondContact O-N 2.82Å; S842-S845 PolarHBondContact O-N 3.01Å; S842-A846 WeakPolarHBondContact O-CB 3.48Å; S842-A846 PolarHBondContact O-N 3.1Å; S842-Y857 WeakPolarHBondContact OG-CA 3.32Å; S842-Y857 WeakPolarHBondContact OG-CD1 3.47Å; S842-Q858 PolarHBondContact OG-OE1 2.88Å
843	E	87.8	Confident	85.7	Confident	82 Å²	82	32.3 Å²	32.3	38%	0.383	18%	0.184	S	C	.	.	H	α-helix	trans	-61	-47.7	173.9	-73.1	171.4	-112.7	0	0	111.3	P802 R805 Q839 A840 A846 L847	P802-E843 HydrophobicContact CB-CB 3.79Å; P802-E843 HydrophobicContact CG-CB 4.19Å; R805-E843 IonicContact CZ-OE1 3.62Å; R805-E843 IonicContact CZ-OE2 3.64Å; R805-E843 IonicContact NH2-OE1 2.67Å; R805-E843 PolarHBondContact NH2-OE1 3.01Å; R805-E843 IonicContact NH2-OE2 3.21Å; R805-E843 PolarHBondContact NH2-OE2 2.72Å; Q839-E843 PolarHBondContact O-N 3.08Å; A840-E843 PolarHBondContact O-N 2.88Å; E843-A846 PolarHBondContact O-N 2.71Å; E843-L847 WeakPolarHBondContact O-CB 3.38Å; E843-L847 WeakPolarHBondContact O-CD1 3.31Å; E843-L847 VanDerWaalsContact O-CG 3.23Å; E843-L847 WeakPolarHBondContact O-CG 3.45Å; E843-L847 PolarHBondContact O-N 2.77Å
844	V	87.8	Confident	85.4	Confident	5 Å²	5	32.5 Å²	32.5	3%	0.03	19%	0.188	C	C	.	.	H	α-helix	trans	-56.7	-51	173.7	163.4	0	0	0	0	111	I642 P802 M806 A840 A846 L847 L848	I642-V844 HydrophobicContact CD1-CG1 3.45Å; I642-V844 VanDerWaalsContact CD1-CG1 3.45Å; I642-V844 HydrophobicContact CD1-CG2 4.26Å; I642-V844 HydrophobicContact CG1-CG1 4.46Å; I642-V844 HydrophobicContact CG2-CG2 4.38Å; P802-V844 HydrophobicContact CB-CG2 4.16Å; P802-V844 HydrophobicContact CG-CG2 4.42Å; M806-V844 HydrophobicContact SD-CB 4.11Å; M806-V844 HydrophobicContact SD-CG1 4.15Å; M806-V844 HydrophobicContact SD-CG2 4.03Å; A840-V844 WeakPolarHBondContact O-CB 3.35Å; A840-V844 WeakPolarHBondContact O-CG2 3.5Å; A840-V844 PolarHBondContact O-N 3.2Å; V844-A846 VanDerWaalsContact C-N 3.32Å; V844-A846 PolarHBondContact O-N 3.14Å; V844-L847 CarbonylContact O-C 3.5Å; V844-L847 PolarHBondContact O-N 2.93Å; V844-L847 VanDerWaalsContact O-N 3.09Å; V844-L848 HydrophobicContact CG1-CD1 3.82Å; V844-L848 HydrophobicContact CG1-CG 4.14Å; V844-L848 WeakPolarHBondContact O-CG 3.45Å; V844-L848 PolarHBondContact O-N 2.77Å
845	S	87	Confident	85	Confident	4 Å²	4	37.8 Å²	37.8	3%	0.028	22%	0.22	C	C	.	.	H	α-helix	trans	-57.2	-41.9	-179.8	173.4	0	0	0	0	113	G841 S842 G849 R850 Q858	G841-S845 WeakPolarHBondContact O-CB 3.28Å; G841-S845 PolarHBondContact O-N 2.82Å; S842-S845 PolarHBondContact O-N 3.01Å; S845-G849 PolarHBondContact O-N 2.86Å; S845-R850 PolarHBondContact O-N 2.88Å; S845-R850 VanDerWaalsContact O-N 3.1Å; S845-R850 WeakPolarHBondContact OG-CB 3.46Å; S845-R850 WeakPolarHBondContact OG-CD 3.5Å; S845-Q858 VanDerWaalsContact OG-CB 3.31Å; S845-Q858 WeakPolarHBondContact OG-CB 3.38Å
846	A	86.2	Confident	84.7	Confident	72 Å²	72	39.5 Å²	39.5	60%	0.595	24%	0.24	S	C	*	.	H	α-helix	trans	-66.5	-40.8	175.5	0	0	0	0	0	112	S842 E843 V844 G849	S842-A846 WeakPolarHBondContact O-CB 3.48Å; S842-A846 PolarHBondContact O-N 3.1Å; E843-A846 PolarHBondContact O-N 2.71Å; V844-A846 VanDerWaalsContact C-N 3.32Å; V844-A846 PolarHBondContact O-N 3.14Å; A846-G849 PolarHBondContact O-N 2.71Å
847	L	85.3	Confident	84.7	Confident	70 Å²	70	36.6 Å²	36.6	37%	0.366	23%	0.23	S	C	.	.	H	α-helix	trans	-69	-32.5	177.1	-71	163.9	0	0	0	113.1	P595 V596 P802 E843 V844 G849	P595-L847 HydrophobicContact CG-CD1 3.64Å; V596-L847 HydrophobicContact CG2-CB 3.75Å; P802-L847 HydrophobicContact CG-CD1 4.02Å; E843-L847 WeakPolarHBondContact O-CB 3.38Å; E843-L847 WeakPolarHBondContact O-CD1 3.31Å; E843-L847 VanDerWaalsContact O-CG 3.23Å; E843-L847 WeakPolarHBondContact O-CG 3.45Å; E843-L847 PolarHBondContact O-N 2.77Å; V844-L847 CarbonylContact O-C 3.5Å; V844-L847 PolarHBondContact O-N 2.93Å; V844-L847 VanDerWaalsContact O-N 3.09Å; L847-G849 VanDerWaalsContact C-N 3.27Å
848	L	83.8	Confident	84.6	Confident	10 Å²	10	36.4 Å²	36.4	5%	0.052	23%	0.229	C	C	.	.	H	α-helix	trans	-71.6	-20.8	172.3	-67.7	179.5	0	0	0	112.7	A631 L632 R640 I642 V844	A631-L848 HydrophobicContact CB-CD1 4.43Å; A631-L848 HydrophobicContact CB-CD2 4.1Å; L632-L848 HydrophobicContact CD1-CB 4.15Å; L632-L848 HydrophobicContact CD1-CD1 4.34Å; L632-L848 HydrophobicContact CD1-CD2 4.09Å; L632-L848 HydrophobicContact CD1-CG 4.42Å; R640-L848 HydrophobicContact CG-CD2 3.76Å; I642-L848 HydrophobicContact CG1-CD2 4.37Å; V844-L848 HydrophobicContact CG1-CD1 3.82Å; V844-L848 HydrophobicContact CG1-CG 4.14Å; V844-L848 WeakPolarHBondContact O-CG 3.45Å; V844-L848 PolarHBondContact O-N 2.77Å
849	G	77.8	Confident	84.4	Confident	36 Å²	36	36.8 Å²	36.8	37%	0.371	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.8	27.9	-178.9	0	0	0	0	0	114.5	R345 S845 A846 L847	R345-G849 PolarHBondContact NH2-O 3.02Å; S845-G849 PolarHBondContact O-N 2.86Å; A846-G849 PolarHBondContact O-N 2.71Å; L847-G849 VanDerWaalsContact C-N 3.27Å
850	R	79.1	Confident	84.3	Confident	39 Å²	39	34.3 Å²	34.3	15%	0.147	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-72.8	152.2	167.7	-60.6	179.4	-179.3	150.2	2.3	109.8	D103 L343 S845 P859 T860 E864	D103-R850 IonicContact OD1-CZ 3.22Å; D103-R850 IonicContact OD1-NE 3.77Å; D103-R850 IonicContact OD1-NH2 2.81Å; D103-R850 PolarHBondContact OD1-NH2 3.35Å; D103-R850 IonicContact OD2-CZ 2.76Å; D103-R850 VanDerWaalsContact OD2-CZ 3.3Å; D103-R850 IonicContact OD2-NE 2.86Å; D103-R850 PolarHBondContact OD2-NE 3.3Å; D103-R850 IonicContact OD2-NH2 3.74Å; D103-R850 PolarHBondContact OD2-NH2 2.92Å; D103-R850 VanDerWaalsContact OD2-NH2 3.16Å; L343-R850 HydrophobicContact CD2-CG 4.4Å; S845-R850 PolarHBondContact O-N 2.88Å; S845-R850 VanDerWaalsContact O-N 3.1Å; S845-R850 WeakPolarHBondContact OG-CB 3.46Å; S845-R850 WeakPolarHBondContact OG-CD 3.5Å; R850-P859 HydrophobicContact CB-CG 4.24Å; R850-T860 PolarHBondContact NH1-OG1 3.47Å; R850-E864 IonicContact NH1-OE1 2.8Å; R850-E864 PolarHBondContact NH1-OE1 3.26Å
851	M	79.7	Confident	84.2	Confident	56 Å²	56	34.8 Å²	34.8	28%	0.276	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-76.5	137	169.4	-60.6	-160.8	-45.4	0	0	109.9	L342 R345 P859	L342-M851 HydrophobicContact CD2-CE 3.88Å; R345-M851 HydrophobicContact CB-SD 4.45Å; R345-M851 HydrophobicContact CG-CG 4.45Å; R345-M851 HydrophobicContact CG-SD 4.47Å; M851-P859 WeakPolarHBondContact O-CD 3.28Å
852	P	80.5	Confident	84.1	Confident	81 Å²	81	36.5 Å²	36.5	53%	0.526	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-69.2	152.5	176.4	28.8	-34.5	0	0	0	112.1
853	S	82.5	Confident	83.9	Confident	21 Å²	21	36.1 Å²	36.1	15%	0.147	23%	0.233	C	C	.	.			trans	-90.4	-160.8	173.8	-166.1	0	0	0	0	110.8	G856 Y857	S853-G856 PolarHBondContact O-N 2.88Å; S853-Y857 WeakPolarHBondContact CB-O 3.05Å; S853-Y857 PolarHBondContact N-O 3.19Å
854	A	77.4	Confident	83.9	Confident	25 Å²	25	33.3 Å²	33.3	21%	0.207	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-51.9	140.1	173.7	0	0	0	0	0	112.1	G856 Y857 P896	A854-G856 PolarHBondContact O-N 2.93Å; A854-Y857 PolarHBondContact O-N 3.02Å; A854-P896 HydrophobicContact CB-CG 4.14Å
855	V	80.8	Confident	84	Confident	112 Å²	112	33 Å²	33	68%	0.679	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	60.7	-4.1	-179.9	-166.2	0	0	0	0	115.3	Y857 P896	V855-Y857 HydrophobicContact CB-CD2 3.97Å; V855-Y857 HydrophobicContact CB-CE2 3.88Å; V855-Y857 HydrophobicContact CG1-CE2 3.98Å; V855-P896 HydrophobicContact CB-CG 4.33Å; V855-P896 HydrophobicContact CG2-CG 3.92Å
856	G	81.3	Confident	84	Confident	45 Å²	45	32.9 Å²	32.9	46%	0.464	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	109.5	-3.3	179	0	0	0	0	0	114.8	S853 A854	S853-G856 PolarHBondContact O-N 2.88Å; A854-G856 PolarHBondContact O-N 2.93Å
857	Y	87	Confident	84.1	Confident	23 Å²	23	33.6 Å²	33.6	9%	0.09	21%	0.209	C	C	.	.			trans	-69	165.2	-178.9	-65.4	-74.8	0	0	0	113.2	T838 S842 S853 A854 V855 L861 D895 P896 A897	T838-Y857 HydrophobicContact CG2-CD1 3.73Å; T838-Y857 HydrophobicContact CG2-CE1 3.88Å; S842-Y857 WeakPolarHBondContact OG-CA 3.32Å; S842-Y857 WeakPolarHBondContact OG-CD1 3.47Å; S853-Y857 WeakPolarHBondContact CB-O 3.05Å; S853-Y857 PolarHBondContact N-O 3.19Å; A854-Y857 PolarHBondContact O-N 3.02Å; V855-Y857 HydrophobicContact CB-CD2 3.97Å; V855-Y857 HydrophobicContact CB-CE2 3.88Å; V855-Y857 HydrophobicContact CG1-CE2 3.98Å; Y857-L861 HydrophobicContact CG-CD2 4.29Å; Y857-D895 WeakPolarHBondContact CE2-OD1 3.25Å; Y857-D895 WeakPolarHBondContact CE2-OD2 3.44Å; Y857-D895 VanDerWaalsContact OH-CG 3.31Å; Y857-D895 PolarHBondContact OH-OD1 3.34Å; Y857-D895 PolarHBondContact OH-OD2 3.42Å; Y857-P896 HydrophobicContact CD2-CB 3.83Å; Y857-P896 HydrophobicContact CD2-CG 4.01Å; Y857-P896 HydrophobicContact CE2-CB 4.22Å; Y857-P896 HydrophobicContact CE2-CG 4.29Å; Y857-A897 HydrophobicContact CD1-CB 4.27Å; Y857-A897 HydrophobicContact CE1-CB 3.62Å; Y857-A897 HydrophobicContact CE2-CB 4.22Å
858	Q	87.4	Confident	84.4	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.005	19%	0.191	C	C	.	.			trans	-63.2	147.4	175.9	70.6	-86.6	31.9	0	0	112.4	T838 S842 S845 T860 L861 E864	T838-Q858 PolarHBondContact O-OE1 3.16Å; S842-Q858 PolarHBondContact OG-OE1 2.88Å; S845-Q858 VanDerWaalsContact OG-CB 3.31Å; S845-Q858 WeakPolarHBondContact OG-CB 3.38Å; Q858-T860 WeakPolarHBondContact CG-OG1 3.2Å; Q858-T860 PolarHBondContact O-N 3.23Å; Q858-L861 HydrophobicContact CG-CB 4.01Å; Q858-L861 WeakPolarHBondContact O-CB 3.35Å; Q858-L861 PolarHBondContact O-N 3.2Å; Q858-E864 WeakPolarHBondContact CG-OE2 3.18Å; Q858-E864 PolarHBondContact NE2-OE2 3.49Å
859	P	83.7	Confident	84.7	Confident	9 Å²	9	29.8 Å²	29.8	6%	0.058	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-31.6	177	27.2	-33.6	0	0	0	112.1	E339 L342 L343 R850 M851 L861	E339-P859 HydrophobicContact CG-CB 4.4Å; E339-P859 WeakPolarHBondContact CG-O 3.28Å; L342-P859 HydrophobicContact CB-CB 4.06Å; L342-P859 HydrophobicContact CD1-CB 4.07Å; L343-P859 HydrophobicContact CD2-CG 3.86Å; L343-P859 HydrophobicContact CG-CG 4.36Å; R850-P859 HydrophobicContact CB-CG 4.24Å; M851-P859 WeakPolarHBondContact O-CD 3.28Å; P859-L861 VanDerWaalsContact C-N 3.28Å; P859-L861 PolarHBondContact O-N 2.86Å
860	T	87	Confident	85.2	Confident	8 Å²	8	28.7 Å²	28.7	5%	0.049	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	5.8	-177.4	44.8	0	0	0	0	114.9	E339 L343 R850 Q858 A862 T863 E864	E339-T860 WeakPolarHBondContact OE1-CA 3.33Å; E339-T860 WeakPolarHBondContact OE1-CG2 3.39Å; L343-T860 HydrophobicContact CD1-CG2 4.49Å; R850-T860 PolarHBondContact NH1-OG1 3.47Å; Q858-T860 WeakPolarHBondContact CG-OG1 3.2Å; Q858-T860 PolarHBondContact O-N 3.23Å; T860-A862 VanDerWaalsContact C-N 3.33Å; T860-A862 PolarHBondContact O-N 3.22Å; T860-T863 PolarHBondContact O-N 3.45Å; T860-E864 VanDerWaalsContact CB-OE1 3.26Å; T860-E864 WeakPolarHBondContact CB-OE1 3.36Å; T860-E864 WeakPolarHBondContact O-CB 3.44Å; T860-E864 WeakPolarHBondContact O-CG 3.49Å; T860-E864 PolarHBondContact O-N 3.38Å; T860-E864 VanDerWaalsContact OG1-CD 3.27Å; T860-E864 PolarHBondContact OG1-OE1 3.11Å
861	L	88.9	Confident	85.8	Confident	10 Å²	10	27 Å²	27	5%	0.052	17%	0.168	C	C	.	.	H	α-helix	trans	-57	-41.5	-170.2	173.1	57.7	0	0	0	113.3	T838 Y857 Q858 P859 M865 P896 T900	T838-L861 HydrophobicContact CG2-CD1 3.48Å; T838-L861 VanDerWaalsContact CG2-CD1 3.48Å; T838-L861 HydrophobicContact CG2-CD2 4.17Å; T838-L861 HydrophobicContact CG2-CG 4.49Å; Y857-L861 HydrophobicContact CG-CD2 4.29Å; Q858-L861 HydrophobicContact CG-CB 4.01Å; Q858-L861 WeakPolarHBondContact O-CB 3.35Å; Q858-L861 PolarHBondContact O-N 3.2Å; P859-L861 VanDerWaalsContact C-N 3.28Å; P859-L861 PolarHBondContact O-N 2.86Å; L861-M865 VanDerWaalsContact O-CB 3.24Å; L861-M865 WeakPolarHBondContact O-CB 3.44Å; L861-M865 PolarHBondContact O-N 3Å; L861-P896 HydrophobicContact CD2-CB 4.32Å; L861-T900 HydrophobicContact CG-CG2 4.32Å
862	A	85	Confident	86.4	Confident	35 Å²	35	24.4 Å²	24.4	29%	0.289	16%	0.155	S	C	.	.	H	α-helix	trans	-65.6	-45.1	179.9	0	0	0	0	0	111.6	V335 T860 G866	V335-A862 HydrophobicContact CG1-CB 4.25Å; T860-A862 VanDerWaalsContact C-N 3.33Å; T860-A862 PolarHBondContact O-N 3.22Å; A862-G866 PolarHBondContact O-N 3.16Å
863	T	85.1	Confident	86.9	Confident	14 Å²	14	21.1 Å²	21.1	9%	0.086	13%	0.133	C	C	.	.	H	α-helix	trans	-68.5	-44.5	179.8	-47.2	0	0	0	0	112	S299 E339 T860 M865 G866 Q867	S299-T863 PolarHBondContact OG-OG1 3.15Å; E339-T863 PolarHBondContact OE1-OG1 2.87Å; E339-T863 PolarHBondContact OE2-OG1 3.25Å; T860-T863 PolarHBondContact O-N 3.45Å; T863-M865 PolarHBondContact O-N 3.21Å; T863-G866 PolarHBondContact O-N 3.05Å; T863-Q867 WeakPolarHBondContact O-CB 3.48Å; T863-Q867 VanDerWaalsContact O-CG 3.26Å; T863-Q867 WeakPolarHBondContact O-CG 3.3Å; T863-Q867 PolarHBondContact O-N 3.11Å
864	E	87.7	Confident	87.2	Confident	23 Å²	23	21 Å²	21	11%	0.107	13%	0.132	C	C	.	.	H	α-helix	trans	-63	-40.2	176.8	-71.3	168.9	-172.7	0	0	111.8	M806 R850 Q858 T860 L868	M806-E864 HydrophobicContact CE-CG 4.05Å; M806-E864 WeakPolarHBondContact CE-OE2 3.23Å; R850-E864 IonicContact NH1-OE1 2.8Å; R850-E864 PolarHBondContact NH1-OE1 3.26Å; Q858-E864 WeakPolarHBondContact CG-OE2 3.18Å; Q858-E864 PolarHBondContact NE2-OE2 3.49Å; T860-E864 VanDerWaalsContact CB-OE1 3.26Å; T860-E864 WeakPolarHBondContact CB-OE1 3.36Å; T860-E864 WeakPolarHBondContact O-CB 3.44Å; T860-E864 WeakPolarHBondContact O-CG 3.49Å; T860-E864 PolarHBondContact O-N 3.38Å; T860-E864 VanDerWaalsContact OG1-CD 3.27Å; T860-E864 PolarHBondContact OG1-OE1 3.11Å; E864-L868 PolarHBondContact O-N 3.47Å
865	M	90.1	Very high	87.8	Confident	0 Å²	0	20.1 Å²	20.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-68.5	-44.1	173.6	-170.5	62.1	62.9	0	0	111.3	I834 F837 T838 L861 T863 Q867 L868 Q869 T900 A901	I834-M865 HydrophobicContact CD1-CE 4.28Å; I834-M865 HydrophobicContact CD1-SD 4.09Å; I834-M865 HydrophobicContact CG1-CE 4.03Å; I834-M865 HydrophobicContact CG1-SD 4.09Å; F837-M865 HydrophobicContact CD1-CE 3.96Å; F837-M865 HydrophobicContact CE1-CE 4.07Å; T838-M865 WeakPolarHBondContact OG1-CE 3.35Å; L861-M865 VanDerWaalsContact O-CB 3.24Å; L861-M865 WeakPolarHBondContact O-CB 3.44Å; L861-M865 PolarHBondContact O-N 3Å; T863-M865 PolarHBondContact O-N 3.21Å; M865-Q867 PolarHBondContact O-N 3.26Å; M865-L868 PolarHBondContact O-N 3.16Å; M865-Q869 HydrophobicContact CG-CG 3.84Å; M865-Q869 WeakPolarHBondContact O-CB 3.37Å; M865-Q869 WeakPolarHBondContact O-CG 3.45Å; M865-Q869 PolarHBondContact O-N 3.21Å; M865-Q869 HydrophobicContact SD-CG 3.73Å; M865-Q869 PolarHBondContact SD-NE2 3.28Å; M865-Q869 VanDerWaalsContact SD-NE2 3.38Å; M865-T900 HydrophobicContact CB-CG2 3.83Å; M865-T900 HydrophobicContact CG-CG2 3.99Å; M865-A901 HydrophobicContact CE-CB 4.45Å
866	G	86.7	Confident	87.9	Confident	0 Å²	0	18 Å²	18	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-60.5	-41.6	178.6	0	0	0	0	0	113.2	A862 T863 L868 Q869 E870	A862-G866 PolarHBondContact O-N 3.16Å; T863-G866 PolarHBondContact O-N 3.05Å; G866-L868 VanDerWaalsContact C-N 3.32Å; G866-L868 PolarHBondContact O-N 3.09Å; G866-Q869 PolarHBondContact O-N 3.19Å; G866-E870 WeakPolarHBondContact O-CB 3.39Å; G866-E870 WeakPolarHBondContact O-CG 3.43Å; G866-E870 PolarHBondContact O-N 3.47Å
867	Q	88.4	Confident	88.2	Confident	88 Å²	88	16.9 Å²	16.9	41%	0.411	9%	0.089	S	C	.	.	H	α-helix	trans	-61.7	-36.5	176.1	-74.3	170.8	-5.6	0	0	113.2	T863 M865 R871	T863-Q867 WeakPolarHBondContact O-CB 3.48Å; T863-Q867 VanDerWaalsContact O-CG 3.26Å; T863-Q867 WeakPolarHBondContact O-CG 3.3Å; T863-Q867 PolarHBondContact O-N 3.11Å; M865-Q867 PolarHBondContact O-N 3.26Å; Q867-R871 WeakPolarHBondContact O-CD 3.46Å
868	L	91.5	Very high	88.2	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-75.6	-44.3	173.9	178	68.4	0	0	0	111.9	A809 L810 L813 I834 F837 E864 M865 G866	A809-L868 HydrophobicContact CB-CD1 3.97Å; A809-L868 HydrophobicContact CB-CD2 3.96Å; L810-L868 HydrophobicContact CD2-CB 4.27Å; L810-L868 HydrophobicContact CD2-CD1 3.69Å; L810-L868 HydrophobicContact CG-CD1 4.39Å; L813-L868 HydrophobicContact CD2-CD1 3.75Å; L813-L868 VanDerWaalsContact CD2-O 3.27Å; L813-L868 WeakPolarHBondContact CD2-O 3.43Å; I834-L868 HydrophobicContact CD1-CD2 3.55Å; F837-L868 HydrophobicContact CD1-CD2 4.27Å; F837-L868 HydrophobicContact CD2-CD2 4.36Å; F837-L868 HydrophobicContact CE1-CD2 4.08Å; F837-L868 HydrophobicContact CE2-CD2 4.17Å; F837-L868 HydrophobicContact CG-CD2 4.4Å; F837-L868 HydrophobicContact CZ-CB 4.43Å; F837-L868 HydrophobicContact CZ-CD2 4.03Å; E864-L868 PolarHBondContact O-N 3.47Å; M865-L868 PolarHBondContact O-N 3.16Å; G866-L868 VanDerWaalsContact C-N 3.32Å; G866-L868 PolarHBondContact O-N 3.09Å
869	Q	91.6	Very high	88.4	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-78.8	-35.9	-170.1	-64.8	-72.6	-6.4	0	0	113.2	K733 M865 G866 R871 I872 H904	K733-Q869 WeakPolarHBondContact CE-O 3.44Å; K733-Q869 PolarHBondContact NZ-O 3.08Å; M865-Q869 HydrophobicContact CG-CG 3.84Å; M865-Q869 WeakPolarHBondContact O-CB 3.37Å; M865-Q869 WeakPolarHBondContact O-CG 3.45Å; M865-Q869 PolarHBondContact O-N 3.21Å; M865-Q869 HydrophobicContact SD-CG 3.73Å; M865-Q869 PolarHBondContact SD-NE2 3.28Å; M865-Q869 VanDerWaalsContact SD-NE2 3.38Å; G866-Q869 PolarHBondContact O-N 3.19Å; Q869-R871 VanDerWaalsContact C-N 3.28Å; Q869-R871 PolarHBondContact O-N 2.84Å; Q869-I872 WeakPolarHBondContact O-CB 3.49Å; Q869-I872 PolarHBondContact O-N 3.24Å; Q869-I872 VanDerWaalsContact O-N 3.13Å; Q869-H904 HydrophobicContact CB-CB 3.73Å; Q869-H904 VanDerWaalsContact CB-CG 3.49Å; Q869-H904 WeakPolarHBondContact CB-ND1 3.42Å; Q869-H904 HydrophobicContact CG-CB 3.8Å
870	E	87.5	Confident	88.8	Confident	13 Å²	13	16 Å²	16	6%	0.061	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-20.9	-179	-64.3	-52	112.6	0	0	113.2	K268 E269 A295 A702 G866 H904	K268-E870 WeakPolarHBondContact CA-OE2 3.48Å; K268-E870 VanDerWaalsContact CB-OE2 3.22Å; K268-E870 WeakPolarHBondContact CB-OE2 3.08Å; K268-E870 WeakPolarHBondContact CG-OE1 3.22Å; E269-E870 PolarHBondContact N-OE2 2.94Å; A295-E870 HydrophobicContact CB-CG 4.32Å; A702-E870 HydrophobicContact CB-CB 4.23Å; G866-E870 WeakPolarHBondContact O-CB 3.39Å; G866-E870 WeakPolarHBondContact O-CG 3.43Å; G866-E870 PolarHBondContact O-N 3.47Å; E870-H904 IonicContact OE1-CE1 2.87Å; E870-H904 IonicContact OE1-ND1 3.7Å; E870-H904 PolarHBondContact OE1-ND1 3Å
871	R	92.3	Very high	89	Confident	4 Å²	4	15.6 Å²	15.6	2%	0.015	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-28.3	167.7	-82.1	170.8	64.4	-173	0.1	113.4	I698 K700 A702 L813 T814 E817 R820 Q867 Q869 T873	I698-R871 PolarHBondContact O-NH1 3.45Å; I698-R871 PolarHBondContact O-NH2 3.15Å; K700-R871 WeakPolarHBondContact O-CD 3.34Å; A702-R871 HydrophobicContact CB-CG 4.24Å; L813-R871 HydrophobicContact CD2-CB 3.58Å; L813-R871 HydrophobicContact CG-CB 4.31Å; T814-R871 PolarHBondContact OG1-NH2 3.49Å; E817-R871 WeakPolarHBondContact OE1-CB 3.42Å; E817-R871 IonicContact OE1-NE 2.68Å; E817-R871 IonicContact OE2-CZ 3.83Å; E817-R871 IonicContact OE2-NE 3.16Å; E817-R871 PolarHBondContact OE2-NE 3Å; E817-R871 IonicContact OE2-NH2 2.72Å; E817-R871 PolarHBondContact OE2-NH2 2.96Å; R820-R871 PolarHBondContact NH1-O 3.13Å; Q867-R871 WeakPolarHBondContact O-CD 3.46Å; Q869-R871 VanDerWaalsContact C-N 3.28Å; Q869-R871 PolarHBondContact O-N 2.84Å; R871-T873 PolarHBondContact O-N 3.3Å
872	I	92.3	Very high	89.2	Confident	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.083	C	C	.	.	S	Bend	trans	-76.1	103.8	172.7	-63.6	164.8	0	0	0	107.3	K733 L813 L829 I831 Q869 V880	K733-I872 HydrophobicContact CG-CG2 3.91Å; K733-I872 PolarHBondContact NZ-O 2.68Å; L813-I872 HydrophobicContact CD1-CG1 3.68Å; L813-I872 HydrophobicContact CD2-CG1 3.99Å; L829-I872 HydrophobicContact CD2-CD1 4.26Å; L829-I872 HydrophobicContact CD2-CG1 4.21Å; I831-I872 HydrophobicContact CD1-CD1 4.38Å; Q869-I872 WeakPolarHBondContact O-CB 3.49Å; Q869-I872 PolarHBondContact O-N 3.24Å; Q869-I872 VanDerWaalsContact O-N 3.13Å; I872-V880 HydrophobicContact CG2-CG1 4.37Å; I872-V880 VanDerWaalsContact CG2-O 3.26Å; I872-V880 WeakPolarHBondContact CG2-O 3.49Å
873	T	90.3	Very high	89.5	Confident	12 Å²	12	13.6 Å²	13.6	7%	0.074	7%	0.07	C	C	.	.	S	Bend	trans	-163.9	166.3	-175.8	-166.6	0	0	0	0	112.2	P703 L708 R820 R871 T875 V880	P703-T873 HydrophobicContact CG-CG2 3.89Å; L708-T873 HydrophobicContact CD2-CG2 3.63Å; R820-T873 VanDerWaalsContact CD-O 3.3Å; R820-T873 WeakPolarHBondContact CD-O 3.36Å; R820-T873 PolarHBondContact NH1-O 2.99Å; R871-T873 PolarHBondContact O-N 3.3Å; T873-T875 HydrophobicContact CG2-CG2 4.29Å; T873-V880 PolarHBondContact O-N 3.11Å; T873-V880 VanDerWaalsContact O-N 3.11Å
874	S	89.4	Confident	89.8	Confident	19 Å²	19	12.9 Å²	12.9	13%	0.133	7%	0.066	C	C	.	.	B	Isolated β-bridge	trans	-85.4	119.3	163.8	-68.4	0	0	0	0	109.7	S709 K730 G731 S879	S709-S874 PolarHBondContact N-O 3.36Å; K730-S874 PolarHBondContact O-OG 3.26Å; G731-S874 VanDerWaalsContact CA-OG 3.29Å; G731-S874 WeakPolarHBondContact CA-OG 3.43Å; G731-S874 PolarHBondContact N-OG 3.45Å; S874-S879 WeakPolarHBondContact OG-CB 3.4Å
875	T	89.5	Confident	89.7	Confident	7 Å²	7	11.9 Å²	11.9	4%	0.043	6%	0.061	C	C	.	.	B	Isolated β-bridge	trans	-91.9	176.7	167.4	57.7	0	0	0	0	109.2	P703 D821 T873 K877 G878	P703-T875 HydrophobicContact CB-CG2 3.67Å; P703-T875 HydrophobicContact CG-CG2 3.67Å; D821-T875 WeakPolarHBondContact OD1-CG2 3.34Å; D821-T875 PolarHBondContact OD1-OG1 3.21Å; D821-T875 VanDerWaalsContact OD1-OG1 3.12Å; T873-T875 HydrophobicContact CG2-CG2 4.29Å; T875-K877 PolarHBondContact O-N 2.68Å; T875-K877 WeakPolarHBondContact OG1-CB 3.18Å; T875-K877 PolarHBondContact OG1-N 3.19Å; T875-G878 PolarHBondContact N-O 3.07Å; T875-G878 PolarHBondContact OG1-O 3.44Å
876	K	84.3	Confident	89.3	Confident	66 Å²	66	12.2 Å²	12.2	29%	0.287	6%	0.063	S	C	.	.	S	Bend	trans	-58.2	1.9	160	-80.7	162.2	169.8	174.3	0	113.5	I577 T578 D706 E707	I577-K876 CarbonylContact C-O 3.31Å; I577-K876 WeakPolarHBondContact CA-O 3.33Å; I577-K876 HydrophobicContact CB-CB 4.18Å; I577-K876 VanDerWaalsContact CB-O 3.27Å; I577-K876 WeakPolarHBondContact CB-O 3.37Å; I577-K876 HydrophobicContact CD1-CB 4Å; I577-K876 HydrophobicContact CD1-CD 3.71Å; I577-K876 HydrophobicContact CD1-CG 3.86Å; I577-K876 HydrophobicContact CG1-CB 3.82Å; I577-K876 HydrophobicContact CG1-CD 4.43Å; I577-K876 HydrophobicContact CG1-CG 4.06Å; I577-K876 PolarHBondContact N-O 3.32Å; T578-K876 PolarHBondContact N-O 2.59Å; D706-K876 WeakPolarHBondContact O-CE 3.23Å; D706-K876 PolarHBondContact O-NZ 3.2Å; E707-K876 WeakPolarHBondContact O-CB 3.45Å; E707-K876 WeakPolarHBondContact O-CD 3.38Å; E707-K876 VanDerWaalsContact O-CG 3.27Å; E707-K876 WeakPolarHBondContact O-CG 3.38Å; E707-K876 PolarHBondContact O-N 3.33Å
877	K	86.7	Confident	89	Confident	23 Å²	23	18.6 Å²	18.6	10%	0.1	9%	0.088	C	C	.	.	S	Bend	trans	-113.5	-49.1	-167.6	-48.2	178.2	166.2	170.7	0	111	T578 N579 E580 E707 D821 G824 T875	T578-K877 VanDerWaalsContact C-CG 3.42Å; T578-K877 WeakPolarHBondContact O-CB 3.49Å; N579-K877 PolarHBondContact O-NZ 2.71Å; E580-K877 IonicContact OE2-NZ 3.61Å; E580-K877 PolarHBondContact OE2-NZ 2.91Å; E707-K877 IonicContact OE1-NZ 3.94Å; E707-K877 PolarHBondContact OE1-NZ 2.9Å; D821-K877 HydrophobicContact CB-CD 3.99Å; G824-K877 CarbonylContact C-O 3.52Å; G824-K877 WeakPolarHBondContact CA-O 3.35Å; T875-K877 PolarHBondContact O-N 2.68Å; T875-K877 WeakPolarHBondContact OG1-CB 3.18Å; T875-K877 PolarHBondContact OG1-N 3.19Å
878	G	87.3	Confident	88.3	Confident	12 Å²	12	14.9 Å²	14.9	12%	0.124	7%	0.071	C	C	.	.			trans	-169.5	-156.3	174.6	0	0	0	0	0	109	T875	T875-G878 PolarHBondContact N-O 3.07Å; T875-G878 PolarHBondContact OG1-O 3.44Å
879	S	90.6	Very high	87.3	Confident	1 Å²	1	16.2 Å²	16.2	1%	0.007	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	146.9	175.9	76.1	0	0	0	0	114.8	G731 Q825 D826 V827 S874	G731-S879 PolarHBondContact N-OG 2.8Å; Q825-S879 PolarHBondContact O-N 3.15Å; D826-S879 VanDerWaalsContact OD1-CB 3.31Å; D826-S879 WeakPolarHBondContact OD1-CB 3.45Å; D826-S879 PolarHBondContact OD1-N 3.47Å; D826-S879 PolarHBondContact OD1-OG 3.24Å; V827-S879 PolarHBondContact N-O 2.86Å; S874-S879 WeakPolarHBondContact OG-CB 3.4Å
880	V	92.3	Very high	86.3	Confident	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	104.9	160.9	179.5	0	0	0	0	108	G731 L813 A816 E817 R820 L829 I872 T873	G731-V880 WeakPolarHBondContact CA-O 3.12Å; L813-V880 HydrophobicContact CD1-CG1 4.13Å; A816-V880 HydrophobicContact CB-CG1 3.87Å; A816-V880 HydrophobicContact CB-CG2 3.9Å; A816-V880 WeakPolarHBondContact O-CG2 3.34Å; E817-V880 HydrophobicContact CG-CG2 4.46Å; R820-V880 HydrophobicContact CB-CG2 3.79Å; R820-V880 HydrophobicContact CG-CG2 4.42Å; L829-V880 HydrophobicContact CB-CG1 3.75Å; L829-V880 HydrophobicContact CD2-CG1 4.12Å; I872-V880 HydrophobicContact CG2-CG1 4.37Å; I872-V880 VanDerWaalsContact CG2-O 3.26Å; I872-V880 WeakPolarHBondContact CG2-O 3.49Å; T873-V880 PolarHBondContact O-N 3.11Å; T873-V880 VanDerWaalsContact O-N 3.11Å
881	T	92.4	Very high	85.3	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	124.8	172.9	-54.2	0	0	0	0	108.5	L715 L729 K730 G731 G732 V827 L828 L829	L715-T881 HydrophobicContact CD2-CG2 3.86Å; L729-T881 VanDerWaalsContact O-CG2 3.31Å; L729-T881 WeakPolarHBondContact O-CG2 3.17Å; K730-T881 WeakPolarHBondContact CA-OG1 3.47Å; G731-T881 PolarHBondContact N-OG1 2.75Å; G732-T881 WeakPolarHBondContact O-CA 3.23Å; V827-T881 PolarHBondContact O-N 3.46Å; L828-T881 CarbonylContact C-O 3.5Å; L828-T881 WeakPolarHBondContact CA-O 3.38Å; L828-T881 HydrophobicContact CD2-CG2 4.37Å; L829-T881 PolarHBondContact N-O 2.97Å
882	S	93.1	Very high	84.3	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	141.9	-177.5	69	0	0	0	0	113.3	G732 K733 V734 L829 Q884	G732-S882 PolarHBondContact O-N 2.69Å; K733-S882 WeakPolarHBondContact CA-OG 3.37Å; K733-S882 WeakPolarHBondContact CG-OG 3.44Å; V734-S882 WeakPolarHBondContact CG2-O 3.38Å; V734-S882 PolarHBondContact N-O 3.32Å; L829-S882 CarbonylContact O-C 3.58Å; L829-S882 WeakPolarHBondContact O-CA 3.49Å; S882-Q884 PolarHBondContact OG-NE2 2.96Å
883	I	91.6	Very high	83.3	Confident	3 Å²	3	35.2 Å²	35.2	2%	0.015	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	101.4	172.2	-57.3	-174.9	0	0	0	107.7	Y728 V734 L736 L751 L828 L829 F830 I831	Y728-I883 HydrophobicContact CD2-CD1 4.15Å; Y728-I883 HydrophobicContact CE2-CD1 3.64Å; Y728-I883 HydrophobicContact CE2-CG1 4.46Å; V734-I883 HydrophobicContact CB-CG1 4.15Å; V734-I883 HydrophobicContact CG2-CG1 4.04Å; L736-I883 HydrophobicContact CB-CG2 4.13Å; L736-I883 HydrophobicContact CD2-CG2 4.16Å; L751-I883 HydrophobicContact CD1-CD1 3.85Å; L828-I883 HydrophobicContact CD2-CD1 3.94Å; L828-I883 HydrophobicContact CD2-CG1 4.29Å; L829-I883 PolarHBondContact O-N 3.02Å; F830-I883 WeakPolarHBondContact CA-O 3.44Å; F830-I883 HydrophobicContact CD1-CB 3.71Å; F830-I883 HydrophobicContact CD1-CG2 3.98Å; F830-I883 HydrophobicContact CE1-CB 3.79Å; F830-I883 HydrophobicContact CE1-CD1 3.78Å; F830-I883 HydrophobicContact CE1-CG1 4.24Å; F830-I883 HydrophobicContact CE1-CG2 3.96Å; F830-I883 HydrophobicContact CZ-CD1 4.12Å; I831-I883 PolarHBondContact N-O 2.87Å
884	Q	91	Very high	82.5	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	114.7	-167.9	-55.4	-179.6	8.5	0	0	109.1	V734 G735 L736 I831 I834 S882 I886	V734-Q884 PolarHBondContact O-N 3.32Å; G735-Q884 WeakPolarHBondContact CA-O 3.35Å; L736-Q884 PolarHBondContact N-O 2.69Å; I831-Q884 HydrophobicContact CB-CB 4.48Å; I831-Q884 HydrophobicContact CB-CG 4.17Å; I831-Q884 HydrophobicContact CD1-CG 4.18Å; I831-Q884 HydrophobicContact CG1-CG 4.31Å; I831-Q884 CarbonylContact O-C 3.15Å; I831-Q884 WeakPolarHBondContact O-CA 3.21Å; I834-Q884 HydrophobicContact CB-CB 4.41Å; I834-Q884 HydrophobicContact CG2-CB 4.38Å; S882-Q884 PolarHBondContact OG-NE2 2.96Å; Q884-I886 WeakPolarHBondContact O-CG1 3.45Å; Q884-I886 PolarHBondContact O-N 2.92Å
885	A	85.7	Confident	82.1	Confident	2 Å²	2	38.8 Å²	38.8	2%	0.017	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	132	172.7	0	0	0	0	0	109.2	L736 I831 D832 N833 I834	L736-A885 WeakPolarHBondContact O-CA 3.31Å; I831-A885 PolarHBondContact O-N 3.47Å; D832-A885 HydrophobicContact CB-CB 3.92Å; D832-A885 VanDerWaalsContact OD1-CB 3.27Å; D832-A885 WeakPolarHBondContact OD1-CB 3.4Å; D832-A885 WeakPolarHBondContact OD2-CB 3.34Å; N833-A885 PolarHBondContact ND2-O 3.34Å; N833-A885 PolarHBondContact OD1-O 3.27Å; N833-A885 VanDerWaalsContact OD1-O 3.1Å; I834-A885 PolarHBondContact N-O 3.35Å; I834-A885 VanDerWaalsContact N-O 3.12Å
886	I	82	Confident	81.7	Confident	6 Å²	6	40 Å²	40	3%	0.031	22%	0.216	C	C	.	.			trans	-121.5	129	-177.3	-42.3	-164.9	0	0	0	109.2	L736 F737 I834 Q884 P898 A901 F902 L905	L736-I886 PolarHBondContact O-N 3.41Å; F737-I886 HydrophobicContact CD1-CB 4.31Å; F737-I886 HydrophobicContact CE1-CB 3.88Å; F737-I886 HydrophobicContact CE1-CD1 4.39Å; F737-I886 HydrophobicContact CE1-CG1 4.4Å; F737-I886 HydrophobicContact CE1-CG2 4.33Å; F737-I886 HydrophobicContact CZ-CB 4.38Å; F737-I886 HydrophobicContact CZ-CD1 4.08Å; F737-I886 HydrophobicContact CZ-CG1 4.42Å; I834-I886 HydrophobicContact CG2-CB 4.31Å; I834-I886 HydrophobicContact CG2-CD1 4.09Å; I834-I886 HydrophobicContact CG2-CG1 3.7Å; I834-I886 HydrophobicContact CG2-CG2 4.28Å; Q884-I886 WeakPolarHBondContact O-CG1 3.45Å; Q884-I886 PolarHBondContact O-N 2.92Å; I886-P898 HydrophobicContact CG2-CB 4.36Å; I886-A901 HydrophobicContact CD1-CB 4.31Å; I886-F902 HydrophobicContact CD1-CD1 4.06Å; I886-F902 HydrophobicContact CD1-CE1 3.87Å; I886-F902 HydrophobicContact CG2-CE1 4.11Å; I886-L905 HydrophobicContact CD1-CD1 3.82Å; I886-L905 HydrophobicContact CD1-CD2 4.44Å; I886-L905 HydrophobicContact CD1-CG 4.45Å
887	Y	79	Confident	81.7	Confident	134 Å²	134	36.9 Å²	36.9	53%	0.525	20%	0.203	S	C	.	.			trans	-94.5	127.8	164.9	178.3	-100	0	0	0	109.7	N833 F835 P889	N833-Y887 PolarHBondContact OD1-N 3.47Å; N833-Y887 VanDerWaalsContact OD1-N 3.16Å; F835-Y887 AromaticContact CD1-CD1 3.7Å; F835-Y887 HydrophobicContact CD1-CD1 3.7Å; F835-Y887 HydrophobicContact CD1-CG 4.32Å; F835-Y887 AromaticContact CE1-CD1 3.62Å; F835-Y887 HydrophobicContact CE1-CD1 3.62Å; F835-Y887 HydrophobicContact CE1-CE1 4.23Å; F835-Y887 HydrophobicContact CG-CD1 4.31Å; F835-Y887 HydrophobicContact CZ-CD1 4.19Å; Y887-P889 HydrophobicContact CD1-CG 4.28Å; Y887-P889 HydrophobicContact CE1-CB 4.24Å; Y887-P889 HydrophobicContact CE1-CG 4.13Å
888	V	74.2	Confident	81.4	Confident	11 Å²	11	35.9 Å²	35.9	7%	0.067	20%	0.198	C	C	.	.			trans	-103.1	113.8	175.2	-174.8	0	0	0	0	108	F737 A890 D891 D892 Y893 P898 F902	F737-V888 HydrophobicContact CD1-CG2 4.22Å; F737-V888 HydrophobicContact CE1-CG2 4.07Å; V888-A890 PolarHBondContact O-N 3.01Å; V888-D891 PolarHBondContact O-N 3.28Å; V888-D892 VanDerWaalsContact CG1-O 3.3Å; V888-D892 WeakPolarHBondContact CG1-O 3.35Å; V888-Y893 HydrophobicContact CG1-CD1 4.44Å; V888-Y893 HydrophobicContact CG1-CD2 4.27Å; V888-Y893 HydrophobicContact CG1-CE2 4.46Å; V888-Y893 HydrophobicContact CG1-CG 4.23Å; V888-Y893 HydrophobicContact CG2-CD1 4.32Å; V888-Y893 HydrophobicContact CG2-CE1 4.08Å; V888-P898 HydrophobicContact CG1-CG 4.46Å; V888-P898 HydrophobicContact CG2-CB 4.38Å; V888-F902 HydrophobicContact CG2-CZ 4.06Å
889	P	69.6	Low	81.1	Confident	28 Å²	28	36.3 Å²	36.3	18%	0.182	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-63	125.7	-179.3	-23.4	35.4	0	0	0	111.7	F835 Y887 D891 D892	F835-P889 HydrophobicContact CD2-CG 4.46Å; F835-P889 HydrophobicContact CE1-CG 4.38Å; F835-P889 HydrophobicContact CE2-CG 3.49Å; F835-P889 VanDerWaalsContact CE2-CG 3.49Å; F835-P889 HydrophobicContact CZ-CG 3.45Å; F835-P889 VanDerWaalsContact CZ-CG 3.45Å; Y887-P889 HydrophobicContact CD1-CG 4.28Å; Y887-P889 HydrophobicContact CE1-CB 4.24Å; Y887-P889 HydrophobicContact CE1-CG 4.13Å; P889-D891 PolarHBondContact O-N 2.91Å; P889-D892 WeakPolarHBondContact O-CB 3.37Å; P889-D892 PolarHBondContact O-N 2.94Å
890	A	71.3	Confident	80.8	Confident	95 Å²	95	37.6 Å²	37.6	79%	0.785	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	51.6	26.8	179.2	0	0	0	0	0	115.1	V888 D892	V888-A890 PolarHBondContact O-N 3.01Å; A890-D892 PolarHBondContact O-N 3.28Å
891	D	67.5	Low	80.5	Confident	129 Å²	129	37.7 Å²	37.7	69%	0.69	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	58.3	19.9	-172.9	-52.8	-52.2	0	0	0	114.3	V888 P889 Y893	V888-D891 PolarHBondContact O-N 3.28Å; P889-D891 PolarHBondContact O-N 2.91Å; D891-Y893 WeakPolarHBondContact O-CD2 3.44Å; D891-Y893 WeakPolarHBondContact O-CE2 3.42Å; D891-Y893 PolarHBondContact O-N 2.78Å
892	D	70.4	Confident	80	Confident	74 Å²	74	39.5 Å²	39.5	40%	0.396	22%	0.218	S	C	.	.			trans	-85.2	96.1	173.6	-171.5	-6.5	0	0	0	111.5	V888 P889 A890 T894 D895	V888-D892 VanDerWaalsContact CG1-O 3.3Å; V888-D892 WeakPolarHBondContact CG1-O 3.35Å; P889-D892 WeakPolarHBondContact O-CB 3.37Å; P889-D892 PolarHBondContact O-N 2.94Å; A890-D892 PolarHBondContact O-N 3.28Å; D892-T894 PolarHBondContact O-N 2.85Å; D892-T894 WeakPolarHBondContact OD1-CA 3.3Å; D892-T894 WeakPolarHBondContact OD1-CB 3.47Å; D892-T894 PolarHBondContact OD1-N 2.89Å; D892-T894 PolarHBondContact OD1-OG1 2.73Å; D892-D895 PolarHBondContact O-N 2.65Å
893	Y	70.4	Confident	79.4	Confident	117 Å²	117	41.5 Å²	41.5	46%	0.459	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-9.2	175.9	-66	-99.5	0	0	0	113.5	V888 D891 F902	V888-Y893 HydrophobicContact CG1-CD1 4.44Å; V888-Y893 HydrophobicContact CG1-CD2 4.27Å; V888-Y893 HydrophobicContact CG1-CE2 4.46Å; V888-Y893 HydrophobicContact CG1-CG 4.23Å; V888-Y893 HydrophobicContact CG2-CD1 4.32Å; V888-Y893 HydrophobicContact CG2-CE1 4.08Å; D891-Y893 WeakPolarHBondContact O-CD2 3.44Å; D891-Y893 WeakPolarHBondContact O-CE2 3.42Å; D891-Y893 PolarHBondContact O-N 2.78Å; Y893-F902 AromaticContact CD1-CE2 3.64Å; Y893-F902 HydrophobicContact CD1-CE2 3.64Å; Y893-F902 AromaticContact CD1-CZ 3.75Å; Y893-F902 HydrophobicContact CD1-CZ 3.75Å; Y893-F902 HydrophobicContact CE1-CZ 4.33Å; Y893-F902 HydrophobicContact CG-CE2 4.32Å
894	T	74.7	Confident	79.1	Confident	92 Å²	92	42 Å²	42	56%	0.564	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-5.5	178.5	76.2	0	0	0	0	113.7	D892	D892-T894 PolarHBondContact O-N 2.85Å; D892-T894 WeakPolarHBondContact OD1-CA 3.3Å; D892-T894 WeakPolarHBondContact OD1-CB 3.47Å; D892-T894 PolarHBondContact OD1-N 2.89Å; D892-T894 PolarHBondContact OD1-OG1 2.73Å
895	D	80.1	Confident	78.9	Confident	15 Å²	15	42.3 Å²	42.3	8%	0.08	24%	0.238	C	C	.	.	S	Bend	trans	-57.1	135.7	172	179.9	-74.5	0	0	0	110.4	Y857 D892 A897 P898 A899	Y857-D895 WeakPolarHBondContact CE2-OD1 3.25Å; Y857-D895 WeakPolarHBondContact CE2-OD2 3.44Å; Y857-D895 VanDerWaalsContact OH-CG 3.31Å; Y857-D895 PolarHBondContact OH-OD1 3.34Å; Y857-D895 PolarHBondContact OH-OD2 3.42Å; D892-D895 PolarHBondContact O-N 2.65Å; D895-A897 PolarHBondContact O-N 3.39Å; D895-A897 WeakPolarHBondContact OD1-CB 3.37Å; D895-A897 PolarHBondContact OD1-N 3.07Å; D895-P898 HydrophobicContact CB-CG 3.87Å; D895-P898 WeakPolarHBondContact O-CD 3.39Å; D895-P898 WeakPolarHBondContact O-CG 3.05Å; D895-P898 VanDerWaalsContact OD1-CD 3.24Å; D895-P898 WeakPolarHBondContact OD1-CD 3.35Å; D895-A899 VanDerWaalsContact O-CB 3.23Å; D895-A899 WeakPolarHBondContact O-CB 3.27Å; D895-A899 PolarHBondContact O-N 3.48Å
896	P	81.9	Confident	79	Confident	31 Å²	31	43.4 Å²	43.4	20%	0.201	24%	0.243	C	C	.	.	H	α-helix	trans	-54.3	-30.5	-174.9	-29.3	34.8	0	0	0	115.5	A854 V855 Y857 L861 T900	A854-P896 HydrophobicContact CB-CG 4.14Å; V855-P896 HydrophobicContact CB-CG 4.33Å; V855-P896 HydrophobicContact CG2-CG 3.92Å; Y857-P896 HydrophobicContact CD2-CB 3.83Å; Y857-P896 HydrophobicContact CD2-CG 4.01Å; Y857-P896 HydrophobicContact CE2-CB 4.22Å; Y857-P896 HydrophobicContact CE2-CG 4.29Å; L861-P896 HydrophobicContact CD2-CB 4.32Å; P896-T900 VanDerWaalsContact O-CB 3.28Å; P896-T900 WeakPolarHBondContact O-CB 3.31Å; P896-T900 PolarHBondContact O-N 3.24Å; P896-T900 PolarHBondContact O-OG1 2.81Å
897	A	83.2	Confident	79.3	Confident	2 Å²	2	43.3 Å²	43.3	2%	0.017	24%	0.243	C	C	.	.	H	α-helix	trans	-71.4	-58.8	-178	0	0	0	0	0	113.7	F835 T838 Y857 D895 T900 A901	F835-A897 HydrophobicContact CD2-CB 3.77Å; F835-A897 HydrophobicContact CE2-CB 3.69Å; T838-A897 HydrophobicContact CG2-CB 3.45Å; T838-A897 VanDerWaalsContact CG2-CB 3.45Å; Y857-A897 HydrophobicContact CD1-CB 4.27Å; Y857-A897 HydrophobicContact CE1-CB 3.62Å; Y857-A897 HydrophobicContact CE2-CB 4.22Å; D895-A897 PolarHBondContact O-N 3.39Å; D895-A897 WeakPolarHBondContact OD1-CB 3.37Å; D895-A897 PolarHBondContact OD1-N 3.07Å; A897-T900 PolarHBondContact O-N 2.97Å; A897-A901 PolarHBondContact O-N 3.27Å
898	P	81.5	Confident	79.9	Confident	1 Å²	1	38.2 Å²	38.2	1%	0.006	23%	0.226	C	C	.	.	H	α-helix	trans	-61.1	-41.9	172.7	24.3	-32.5	0	0	0	111.6	I886 V888 D895 T900 A901 F902	I886-P898 HydrophobicContact CG2-CB 4.36Å; V888-P898 HydrophobicContact CG1-CG 4.46Å; V888-P898 HydrophobicContact CG2-CB 4.38Å; D895-P898 HydrophobicContact CB-CG 3.87Å; D895-P898 WeakPolarHBondContact O-CD 3.39Å; D895-P898 WeakPolarHBondContact O-CG 3.05Å; D895-P898 VanDerWaalsContact OD1-CD 3.24Å; D895-P898 WeakPolarHBondContact OD1-CD 3.35Å; P898-T900 VanDerWaalsContact C-N 3.34Å; P898-T900 PolarHBondContact O-N 2.95Å; P898-A901 PolarHBondContact O-N 3.46Å; P898-A901 VanDerWaalsContact O-N 3.09Å; P898-F902 HydrophobicContact CB-CD2 4.49Å; P898-F902 HydrophobicContact CB-CE1 3.99Å; P898-F902 HydrophobicContact CB-CE2 3.76Å; P898-F902 HydrophobicContact CB-CZ 3.49Å; P898-F902 VanDerWaalsContact CB-CZ 3.49Å; P898-F902 VanDerWaalsContact O-CD1 3.22Å; P898-F902 WeakPolarHBondContact O-CD1 3.34Å; P898-F902 WeakPolarHBondContact O-CD2 3.49Å; P898-F902 WeakPolarHBondContact O-CG 3.31Å; P898-F902 PolarHBondContact O-N 3.16Å
899	A	80.7	Confident	80.7	Confident	21 Å²	21	37.7 Å²	37.7	17%	0.174	22%	0.223	C	C	.	.	H	α-helix	trans	-57.9	-42.6	179.2	0	0	0	0	0	113	D895 F902 A903	D895-A899 VanDerWaalsContact O-CB 3.23Å; D895-A899 WeakPolarHBondContact O-CB 3.27Å; D895-A899 PolarHBondContact O-N 3.48Å; A899-F902 PolarHBondContact O-N 2.94Å; A899-A903 PolarHBondContact O-N 3.4Å
900	T	85	Confident	81.7	Confident	29 Å²	29	37.7 Å²	37.7	18%	0.178	22%	0.221	C	C	.	.	H	α-helix	trans	-66.7	-38.9	176.2	-53.3	0	0	0	0	111.6	L861 M865 P896 A897 P898 A903 H904	L861-T900 HydrophobicContact CG-CG2 4.32Å; M865-T900 HydrophobicContact CB-CG2 3.83Å; M865-T900 HydrophobicContact CG-CG2 3.99Å; P896-T900 VanDerWaalsContact O-CB 3.28Å; P896-T900 WeakPolarHBondContact O-CB 3.31Å; P896-T900 PolarHBondContact O-N 3.24Å; P896-T900 PolarHBondContact O-OG1 2.81Å; A897-T900 PolarHBondContact O-N 2.97Å; P898-T900 VanDerWaalsContact C-N 3.34Å; P898-T900 PolarHBondContact O-N 2.95Å; T900-A903 WeakPolarHBondContact O-CB 3.24Å; T900-A903 PolarHBondContact O-N 2.9Å; T900-H904 PolarHBondContact O-CD2 3.29Å
901	A	84.3	Confident	82.5	Confident	2 Å²	2	33.5 Å²	33.5	2%	0.017	19%	0.186	C	C	.	.	H	α-helix	trans	-65.5	-43.4	174.1	0	0	0	0	0	111.9	I834 M865 I886 A897 P898 A903 H904 L905	I834-A901 HydrophobicContact CG2-CB 4.4Å; M865-A901 HydrophobicContact CE-CB 4.45Å; I886-A901 HydrophobicContact CD1-CB 4.31Å; A897-A901 PolarHBondContact O-N 3.27Å; P898-A901 PolarHBondContact O-N 3.46Å; P898-A901 VanDerWaalsContact O-N 3.09Å; A901-A903 PolarHBondContact O-N 3.45Å; A901-H904 PolarHBondContact O-N 2.94Å; A901-L905 PolarHBondContact O-N 3.43Å
902	F	83.1	Confident	83.5	Confident	38 Å²	38	30.9 Å²	30.9	17%	0.167	17%	0.169	C	C	.	.	H	α-helix	trans	-59.4	-33.6	176.8	-58.2	-19	0	0	0	112.3	R238 F737 I886 V888 Y893 P898 A899 H904 L905	R238-F902 PolarHBondContact NH1-O 3.17Å; R238-F902 PolarHBondContact NH2-O 3.35Å; R238-F902 VanDerWaalsContact NH2-O 3.13Å; F737-F902 AromaticContact CE1-CE1 3.54Å; F737-F902 HydrophobicContact CE1-CE1 3.54Å; F737-F902 AromaticContact CE1-CZ 3.83Å; F737-F902 HydrophobicContact CE1-CZ 3.83Å; F737-F902 HydrophobicContact CZ-CD1 4.2Å; F737-F902 AromaticContact CZ-CE1 3.45Å; F737-F902 HydrophobicContact CZ-CE1 3.45Å; F737-F902 VanDerWaalsContact CZ-CE1 3.45Å; F737-F902 HydrophobicContact CZ-CZ 4.08Å; I886-F902 HydrophobicContact CD1-CD1 4.06Å; I886-F902 HydrophobicContact CD1-CE1 3.87Å; I886-F902 HydrophobicContact CG2-CE1 4.11Å; V888-F902 HydrophobicContact CG2-CZ 4.06Å; Y893-F902 AromaticContact CD1-CE2 3.64Å; Y893-F902 HydrophobicContact CD1-CE2 3.64Å; Y893-F902 AromaticContact CD1-CZ 3.75Å; Y893-F902 HydrophobicContact CD1-CZ 3.75Å; Y893-F902 HydrophobicContact CE1-CZ 4.33Å; Y893-F902 HydrophobicContact CG-CE2 4.32Å; P898-F902 HydrophobicContact CB-CD2 4.49Å; P898-F902 HydrophobicContact CB-CE1 3.99Å; P898-F902 HydrophobicContact CB-CE2 3.76Å; P898-F902 HydrophobicContact CB-CZ 3.49Å; P898-F902 VanDerWaalsContact CB-CZ 3.49Å; P898-F902 VanDerWaalsContact O-CD1 3.22Å; P898-F902 WeakPolarHBondContact O-CD1 3.34Å; P898-F902 WeakPolarHBondContact O-CD2 3.49Å; P898-F902 WeakPolarHBondContact O-CG 3.31Å; P898-F902 PolarHBondContact O-N 3.16Å; A899-F902 PolarHBondContact O-N 2.94Å; F902-H904 PolarHBondContact O-N 3.38Å; F902-H904 VanDerWaalsContact O-N 3.13Å; F902-L905 HydrophobicContact CD1-CD1 3.86Å; F902-L905 PolarHBondContact O-N 3.38Å; F902-L905 VanDerWaalsContact O-N 3.08Å
903	A	80.7	Confident	84.2	Confident	42 Å²	42	33.3 Å²	33.3	35%	0.347	17%	0.173	S	C	.	.	H	α-helix	trans	-57.9	-24.5	176	0	0	0	0	0	113.2	R238 A899 T900 A901	R238-A903 PolarHBondContact NE-O 3.18Å; R238-A903 PolarHBondContact NH2-O 2.91Å; A899-A903 PolarHBondContact O-N 3.4Å; T900-A903 WeakPolarHBondContact O-CB 3.24Å; T900-A903 PolarHBondContact O-N 2.9Å; A901-A903 PolarHBondContact O-N 3.45Å
904	H	85.6	Confident	85	Confident	13 Å²	13	32.3 Å²	32.3	6%	0.06	17%	0.171	C	C	.	.	H	α-helix	trans	-98.9	-21	172.7	-61.5	-93.6	0	0	0	114.3	K268 K733 Q869 E870 T900 A901 F902	K268-H904 WeakPolarHBondContact CE-O 3.2Å; K268-H904 PolarHBondContact NZ-O 2.91Å; K733-H904 HydrophobicContact CD-CB 3.9Å; K733-H904 WeakPolarHBondContact CD-O 3.47Å; Q869-H904 HydrophobicContact CB-CB 3.73Å; Q869-H904 VanDerWaalsContact CB-CG 3.49Å; Q869-H904 WeakPolarHBondContact CB-ND1 3.42Å; Q869-H904 HydrophobicContact CG-CB 3.8Å; E870-H904 IonicContact OE1-CE1 2.87Å; E870-H904 IonicContact OE1-ND1 3.7Å; E870-H904 PolarHBondContact OE1-ND1 3Å; T900-H904 PolarHBondContact O-CD2 3.29Å; A901-H904 PolarHBondContact O-N 2.94Å; F902-H904 PolarHBondContact O-N 3.38Å; F902-H904 VanDerWaalsContact O-N 3.13Å
905	L	86.9	Confident	85.7	Confident	7 Å²	7	28.4 Å²	28.4	4%	0.037	15%	0.147	C	C	.	.			trans	-58.7	147.8	-179.8	-67.4	-172.1	0	0	0	114.1	R238 K733 F737 I886 A901 F902 T908	R238-L905 PolarHBondContact NH1-O 2.87Å; R238-L905 PolarHBondContact NH2-O 3.05Å; K733-L905 HydrophobicContact CB-CD2 3.98Å; F737-L905 HydrophobicContact CZ-CD1 4.34Å; I886-L905 HydrophobicContact CD1-CD1 3.82Å; I886-L905 HydrophobicContact CD1-CD2 4.44Å; I886-L905 HydrophobicContact CD1-CG 4.45Å; A901-L905 PolarHBondContact O-N 3.43Å; F902-L905 HydrophobicContact CD1-CD1 3.86Å; F902-L905 PolarHBondContact O-N 3.38Å; F902-L905 VanDerWaalsContact O-N 3.08Å; L905-T908 HydrophobicContact CD1-CG2 4.16Å
906	D	87.1	Confident	86	Confident	24 Å²	24	28.8 Å²	28.8	13%	0.128	15%	0.15	C	C	.	.	S	Bend	trans	-117.4	-20.8	177.5	-58.7	-65.4	0	0	0	112.9	K268 K733 R932	K268-D906 IonicContact NZ-OD1 2.77Å; K268-D906 PolarHBondContact NZ-OD1 3.24Å; K268-D906 IonicContact NZ-OD2 2.71Å; K268-D906 PolarHBondContact NZ-OD2 2.82Å; K733-D906 PolarHBondContact N-OD2 3.2Å; K733-D906 PolarHBondContact O-N 2.87Å; D906-R932 WeakPolarHBondContact O-CB 3.39Å; D906-R932 VanDerWaalsContact O-CG 3.31Å; D906-R932 WeakPolarHBondContact O-CG 3.47Å; D906-R932 PolarHBondContact O-N 2.7Å; D906-R932 IonicContact OD1-CZ 3.42Å; D906-R932 IonicContact OD1-NE 2.69Å; D906-R932 IonicContact OD1-NH1 3.51Å; D906-R932 PolarHBondContact OD1-NH1 3.44Å
907	S	89.1	Confident	86.2	Confident	4 Å²	4	34.6 Å²	34.6	3%	0.028	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	167.1	168.4	65.4	0	0	0	0	112.3	K733 V734 G735 S930 S931	K733-S907 PolarHBondContact O-N 3.01Å; K733-S907 VanDerWaalsContact O-N 3.15Å; V734-S907 WeakPolarHBondContact CA-O 3.44Å; V734-S907 WeakPolarHBondContact CG2-OG 3.37Å; G735-S907 PolarHBondContact N-O 2.84Å; S907-S930 CarbonylContact C-O 3.59Å; S907-S930 VanDerWaalsContact CA-O 3.3Å; S907-S930 WeakPolarHBondContact CA-O 3.19Å; S907-S930 WeakPolarHBondContact CB-O 3.47Å; S907-S931 WeakPolarHBondContact CB-OG 3.43Å
908	T	90.5	Very high	86.3	Confident	28 Å²	28	37.7 Å²	37.7	17%	0.172	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	141.2	178.9	65.1	0	0	0	0	111.1	G735 F737 L905 S929 S930	G735-T908 WeakPolarHBondContact O-CA 3.45Å; F737-T908 HydrophobicContact CE2-CG2 3.82Å; F737-T908 HydrophobicContact CZ-CG2 4.46Å; L905-T908 HydrophobicContact CD1-CG2 4.16Å; T908-S929 WeakPolarHBondContact O-CA 3.38Å; T908-S929 WeakPolarHBondContact O-CB 3.47Å; T908-S930 PolarHBondContact N-O 2.86Å; T908-S930 PolarHBondContact O-N 3.44Å; T908-S930 PolarHBondContact OG1-N 3.39Å; T908-S930 PolarHBondContact OG1-OG 3.07Å
909	T	91.3	Very high	86.5	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	110.8	179.6	-54	0	0	0	0	108.6	Y728 G735 L736 F737 L747 L911 V924	Y728-T909 WeakPolarHBondContact CE1-OG1 3.2Å; Y728-T909 PolarHBondContact OH-OG1 3.31Å; G735-T909 PolarHBondContact O-N 3.12Å; L736-T909 HydrophobicContact CD1-CG2 4.13Å; F737-T909 PolarHBondContact N-O 3.09Å; L747-T909 HydrophobicContact CD2-CG2 4.5Å; T909-L911 HydrophobicContact CG2-CD1 4.09Å; T909-V924 HydrophobicContact CG2-CG1 3.84Å; T909-V924 HydrophobicContact CG2-CG2 3.81Å
910	N	89.9	Confident	86.9	Confident	27 Å²	27	38 Å²	38	14%	0.144	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	113.9	-170.3	-80.1	-74	0	0	0	110.6	F737 V924 D925 A928 S929	F737-N910 WeakPolarHBondContact CB-OD1 3.38Å; F737-N910 WeakPolarHBondContact CG-OD1 3.43Å; N910-V924 CarbonylContact O-C 3.55Å; N910-V924 WeakPolarHBondContact O-CA 3.38Å; N910-D925 PolarHBondContact O-N 2.76Å; N910-A928 HydrophobicContact CB-CB 3.92Å; N910-A928 PolarHBondContact ND2-O 2.62Å; N910-S929 PolarHBondContact N-OG 3.03Å
911	L	89.3	Confident	87.1	Confident	7 Å²	7	41.3 Å²	41.3	4%	0.037	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	114.5	179.2	-74	79.5	0	0	0	112.1	L736 F737 G738 V742 K744 L747 T909 A923 V924	L736-L911 HydrophobicContact CD1-CD1 3.51Å; L736-L911 HydrophobicContact CG-CD1 4.48Å; F737-L911 PolarHBondContact O-N 3.3Å; G738-L911 VanDerWaalsContact CA-O 3.29Å; G738-L911 WeakPolarHBondContact CA-O 3.33Å; V742-L911 HydrophobicContact CB-CB 4.07Å; V742-L911 HydrophobicContact CG2-CB 3.44Å; V742-L911 VanDerWaalsContact CG2-CB 3.44Å; V742-L911 HydrophobicContact CG2-CD2 4Å; V742-L911 HydrophobicContact CG2-CG 4.37Å; K744-L911 HydrophobicContact CG-CD2 4.32Å; L747-L911 HydrophobicContact CD2-CD1 4.02Å; L747-L911 HydrophobicContact CD2-CD2 4.1Å; L747-L911 HydrophobicContact CD2-CG 4.5Å; T909-L911 HydrophobicContact CG2-CD1 4.09Å; L911-A923 CarbonylContact C-O 3.58Å; L911-A923 VanDerWaalsContact CA-O 3.24Å; L911-A923 WeakPolarHBondContact CA-O 3.34Å; L911-V924 HydrophobicContact CD1-CG2 4.19Å; L911-V924 HydrophobicContact CG-CG2 4.13Å
912	E	87.1	Confident	87.5	Confident	74 Å²	74	41.6 Å²	41.6	35%	0.346	21%	0.205	S	C	.	.			trans	-93.9	132.8	-178.5	-88.5	-147.6	150.4	0	0	113.5	K914 L915 T916 A923 D925	E912-K914 HydrophobicContact CB-CB 4.44Å; E912-K914 PolarHBondContact O-N 3.24Å; E912-K914 WeakPolarHBondContact OE2-CB 3.41Å; E912-L915 HydrophobicContact CB-CD1 4.43Å; E912-L915 HydrophobicContact CB-CG 4.35Å; E912-L915 PolarHBondContact O-N 2.99Å; E912-T916 PolarHBondContact O-N 3.47Å; E912-T916 PolarHBondContact O-OG1 2.77Å; E912-A923 PolarHBondContact N-O 2.8Å; E912-D925 HydrophobicContact CG-CB 4.19Å
913	R	86.6	Confident	87.9	Confident	126 Å²	126	39.9 Å²	39.9	48%	0.475	20%	0.197	S	C	.	.	H	α-helix	trans	-59.3	-27.4	170.2	-172.5	-179.4	-61.2	-72.5	-3.9	112.9	A740 V742 T916 Q917	A740-R913 PolarHBondContact O-NH1 3.4Å; A740-R913 PolarHBondContact O-NH2 2.86Å; V742-R913 HydrophobicContact CG1-CB 4.18Å; R913-T916 WeakPolarHBondContact O-CB 3.44Å; R913-T916 PolarHBondContact O-N 3.4Å; R913-Q917 HydrophobicContact CG-CG 4.43Å; R913-Q917 VanDerWaalsContact O-CG 3.31Å; R913-Q917 WeakPolarHBondContact O-CG 3.46Å; R913-Q917 PolarHBondContact O-N 3.25Å
914	K	87.2	Confident	88.5	Confident	96 Å²	96	38.1 Å²	38.1	42%	0.417	18%	0.182	S	C	.	.	H	α-helix	trans	-60.6	-44.1	177	-174.3	-177.9	175.4	-175.4	0	111.3	E912 Q917 M918	E912-K914 HydrophobicContact CB-CB 4.44Å; E912-K914 PolarHBondContact O-N 3.24Å; E912-K914 WeakPolarHBondContact OE2-CB 3.41Å; K914-Q917 PolarHBondContact O-N 2.86Å; K914-M918 HydrophobicContact CG-SD 4.27Å; K914-M918 WeakPolarHBondContact O-CG 3.43Å; K914-M918 PolarHBondContact O-N 3.3Å
915	L	88.5	Confident	88.7	Confident	10 Å²	10	38.1 Å²	38.1	5%	0.052	18%	0.183	C	C	.	.	H	α-helix	trans	-69.7	-40.4	178.8	-63.5	175.1	0	0	0	111.4	E912 Q917 M918 G919 I920 A923 V924 D925	E912-L915 HydrophobicContact CB-CD1 4.43Å; E912-L915 HydrophobicContact CB-CG 4.35Å; E912-L915 PolarHBondContact O-N 2.99Å; L915-Q917 VanDerWaalsContact C-N 3.3Å; L915-Q917 PolarHBondContact O-N 2.66Å; L915-M918 PolarHBondContact O-N 3.25Å; L915-M918 VanDerWaalsContact O-N 3.12Å; L915-G919 PolarHBondContact O-N 2.85Å; L915-I920 HydrophobicContact CB-CB 4.25Å; L915-I920 HydrophobicContact CB-CG2 4.48Å; L915-I920 HydrophobicContact CD2-CD1 3.97Å; L915-I920 HydrophobicContact CD2-CG2 4.48Å; L915-I920 PolarHBondContact O-N 3.23Å; L915-A923 HydrophobicContact CB-CB 4.04Å; L915-V924 VanDerWaalsContact CD1-C 3.5Å; L915-V924 VanDerWaalsContact CD1-O 3.23Å; L915-V924 WeakPolarHBondContact CD1-O 3.36Å; L915-D925 HydrophobicContact CD1-CB 4.48Å
916	T	85.6	Confident	88.9	Confident	23 Å²	23	38.2 Å²	38.2	14%	0.141	18%	0.184	C	C	.	.	H	α-helix	trans	-54	-45.7	169.8	-42.6	0	0	0	0	111.7	E912 R913 M918 G919 Y921 A923	E912-T916 PolarHBondContact O-N 3.47Å; E912-T916 PolarHBondContact O-OG1 2.77Å; R913-T916 WeakPolarHBondContact O-CB 3.44Å; R913-T916 PolarHBondContact O-N 3.4Å; T916-M918 VanDerWaalsContact C-N 3.34Å; T916-M918 PolarHBondContact O-N 3.37Å; T916-G919 PolarHBondContact O-N 2.87Å; T916-Y921 HydrophobicContact CG2-CE1 3.92Å; T916-Y921 WeakPolarHBondContact CG2-OH 3.32Å; T916-Y921 PolarHBondContact O-OH 2.82Å; T916-A923 WeakPolarHBondContact OG1-CB 3.49Å
917	Q	86.6	Confident	89	Confident	152 Å²	152	39.7 Å²	39.7	71%	0.71	19%	0.192	S	C	*	.	H	α-helix	trans	-68.4	-28.7	178.6	-74.2	171.4	-23.5	0	0	113.6	R913 K914 L915 G919	R913-Q917 HydrophobicContact CG-CG 4.43Å; R913-Q917 VanDerWaalsContact O-CG 3.31Å; R913-Q917 WeakPolarHBondContact O-CG 3.46Å; R913-Q917 PolarHBondContact O-N 3.25Å; K914-Q917 PolarHBondContact O-N 2.86Å; L915-Q917 VanDerWaalsContact C-N 3.3Å; L915-Q917 PolarHBondContact O-N 2.66Å; Q917-G919 VanDerWaalsContact C-N 3.26Å
918	M	85.7	Confident	89	Confident	67 Å²	67	41.7 Å²	41.7	33%	0.33	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-3.9	174.1	-69.5	174.2	64.9	0	0	113.5	K914 L915 T916 I920 R1034	K914-M918 HydrophobicContact CG-SD 4.27Å; K914-M918 WeakPolarHBondContact O-CG 3.43Å; K914-M918 PolarHBondContact O-N 3.3Å; L915-M918 PolarHBondContact O-N 3.25Å; L915-M918 VanDerWaalsContact O-N 3.12Å; T916-M918 VanDerWaalsContact C-N 3.34Å; T916-M918 PolarHBondContact O-N 3.37Å; M918-I920 HydrophobicContact CB-CD1 3.94Å; M918-I920 HydrophobicContact CB-CG1 4.08Å; M918-I920 HydrophobicContact CE-CD1 4.07Å; M918-R1034 PolarHBondContact O-NH1 3.46Å
919	G	86.5	Confident	89	Confident	24 Å²	24	40.5 Å²	40.5	25%	0.247	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	40.2	-176.8	0	0	0	0	0	112.9	L915 T916 Q917 R1034	L915-G919 PolarHBondContact O-N 2.85Å; T916-G919 PolarHBondContact O-N 2.87Å; Q917-G919 VanDerWaalsContact C-N 3.26Å; G919-R1034 PolarHBondContact O-NH1 3.42Å
920	I	88.7	Confident	88.9	Confident	5 Å²	5	43.5 Å²	43.5	3%	0.026	22%	0.222	C	C	.	.			trans	-114.2	118.9	179.8	-61.2	176.5	0	0	0	107.8	L915 M918 Q987 F988	L915-I920 HydrophobicContact CB-CB 4.25Å; L915-I920 HydrophobicContact CB-CG2 4.48Å; L915-I920 HydrophobicContact CD2-CD1 3.97Å; L915-I920 HydrophobicContact CD2-CG2 4.48Å; L915-I920 PolarHBondContact O-N 3.23Å; M918-I920 HydrophobicContact CB-CD1 3.94Å; M918-I920 HydrophobicContact CB-CG1 4.08Å; M918-I920 HydrophobicContact CE-CD1 4.07Å; I920-Q987 HydrophobicContact CD1-CG 3.64Å; I920-F988 HydrophobicContact CD1-CD1 4.08Å; I920-F988 HydrophobicContact CD1-CE1 4.05Å; I920-F988 HydrophobicContact CG1-CD1 4.07Å; I920-F988 HydrophobicContact CG1-CE1 4.17Å
921	Y	89	Confident	88.9	Confident	99 Å²	99	43.2 Å²	43.2	39%	0.388	22%	0.222	S	C	.	.	S	Bend	trans	-134.1	132.8	-176.6	-64.2	-85.8	0	0	0	110.5	T916 S991 Q992	T916-Y921 HydrophobicContact CG2-CE1 3.92Å; T916-Y921 WeakPolarHBondContact CG2-OH 3.32Å; T916-Y921 PolarHBondContact O-OH 2.82Å; Y921-S991 CarbonylContact O-C 3.6Å; Y921-S991 WeakPolarHBondContact O-CA 3.15Å; Y921-S991 WeakPolarHBondContact O-CB 3.36Å; Y921-Q992 PolarHBondContact O-N 2.86Å
922	P	92.6	Very high	88.6	Confident	8 Å²	8	46.1 Å²	46.1	5%	0.052	23%	0.233	C	C	.	.	S	Bend	cis	-68.1	149.6	-1.9	33.3	-38	0	0	0	111.4	I719 V721 L747 V924 F994	I719-P922 HydrophobicContact CG2-CG 4.04Å; V721-P922 HydrophobicContact CG1-CG 3.72Å; L747-P922 HydrophobicContact CD1-CB 4.06Å; L747-P922 HydrophobicContact CD1-CG 4.47Å; P922-V924 HydrophobicContact CB-CG2 4.18Å; P922-V924 HydrophobicContact CG-CG2 4.34Å; P922-V924 PolarHBondContact O-N 2.85Å; P922-F994 HydrophobicContact CB-CE2 4.07Å; P922-F994 HydrophobicContact CB-CZ 3.71Å; P922-F994 HydrophobicContact CG-CE1 4.22Å; P922-F994 HydrophobicContact CG-CE2 4.46Å; P922-F994 HydrophobicContact CG-CZ 3.62Å
923	A	91.9	Very high	88.6	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.008	22%	0.216	C	C	.	.			trans	-80.2	35.6	-171.5	0	0	0	0	0	113.7	V742 L911 E912 L915 T916	V742-A923 WeakPolarHBondContact O-CB 3.2Å; L911-A923 CarbonylContact C-O 3.58Å; L911-A923 VanDerWaalsContact CA-O 3.24Å; L911-A923 WeakPolarHBondContact CA-O 3.34Å; E912-A923 PolarHBondContact N-O 2.8Å; L915-A923 HydrophobicContact CB-CB 4.04Å; T916-A923 WeakPolarHBondContact OG1-CB 3.49Å
924	V	92	Very high	88.8	Confident	5 Å²	5	38 Å²	38	3%	0.03	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-78.7	126	-175	178.4	0	0	0	0	110.4	V721 L747 T909 N910 L911 L915 P922 P926 S929	V721-V924 HydrophobicContact CG1-CB 4.03Å; V721-V924 HydrophobicContact CG1-CG2 4.29Å; V721-V924 HydrophobicContact CG2-CB 3.92Å; V721-V924 HydrophobicContact CG2-CG1 3.81Å; L747-V924 HydrophobicContact CD2-CG2 4.09Å; T909-V924 HydrophobicContact CG2-CG1 3.84Å; T909-V924 HydrophobicContact CG2-CG2 3.81Å; N910-V924 CarbonylContact O-C 3.55Å; N910-V924 WeakPolarHBondContact O-CA 3.38Å; L911-V924 HydrophobicContact CD1-CG2 4.19Å; L911-V924 HydrophobicContact CG-CG2 4.13Å; L915-V924 VanDerWaalsContact CD1-C 3.5Å; L915-V924 VanDerWaalsContact CD1-O 3.23Å; L915-V924 WeakPolarHBondContact CD1-O 3.36Å; P922-V924 HydrophobicContact CB-CG2 4.18Å; P922-V924 HydrophobicContact CG-CG2 4.34Å; P922-V924 PolarHBondContact O-N 2.85Å; V924-P926 WeakPolarHBondContact O-CD 3.22Å; V924-S929 VanDerWaalsContact CG1-OG 3.26Å; V924-S929 WeakPolarHBondContact CG1-OG 3.35Å
925	D	91.6	Very high	88.8	Confident	13 Å²	13	34.3 Å²	34.3	7%	0.07	19%	0.188	C	C	.	.			trans	-74.8	117.9	173.6	-177.8	-16.7	0	0	0	110.1	N910 E912 L915 L927 A928 S929	N910-D925 PolarHBondContact O-N 2.76Å; E912-D925 HydrophobicContact CG-CB 4.19Å; L915-D925 HydrophobicContact CD1-CB 4.48Å; D925-L927 VanDerWaalsContact C-N 3.25Å; D925-L927 PolarHBondContact O-N 2.91Å; D925-L927 WeakPolarHBondContact OD1-CA 3.34Å; D925-L927 PolarHBondContact OD1-N 3.49Å; D925-A928 HydrophobicContact CB-CB 3.95Å; D925-A928 PolarHBondContact OD1-N 2.87Å; D925-A928 WeakPolarHBondContact OD2-CB 3.43Å; D925-S929 WeakPolarHBondContact O-CB 3.42Å; D925-S929 PolarHBondContact O-N 3.47Å; D925-S929 PolarHBondContact O-OG 2.95Å
926	P	90.3	Very high	88.8	Confident	10 Å²	10	35.6 Å²	35.6	7%	0.065	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-11.5	-179.4	29.5	-36.2	0	0	0	115.2	L725 V924 Q951 L954 L990	L725-P926 HydrophobicContact CD1-CB 3.27Å; V924-P926 WeakPolarHBondContact O-CD 3.22Å; P926-Q951 PolarHBondContact O-NE2 3.2Å; P926-L954 HydrophobicContact CB-CD1 3.86Å; P926-L954 HydrophobicContact CG-CD1 3.68Å; P926-L990 HydrophobicContact CB-CD1 3.82Å; P926-L990 HydrophobicContact CG-CD1 3.91Å
927	L	89.8	Confident	88.8	Confident	55 Å²	55	41.7 Å²	41.7	29%	0.288	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-28.9	179.7	-60.3	177.5	0	0	0	112.5	D925 Q951 L954 Q955	D925-L927 VanDerWaalsContact C-N 3.25Å; D925-L927 PolarHBondContact O-N 2.91Å; D925-L927 WeakPolarHBondContact OD1-CA 3.34Å; D925-L927 PolarHBondContact OD1-N 3.49Å; L927-Q951 HydrophobicContact CD2-CB 4.19Å; L927-Q951 HydrophobicContact CD2-CG 4.34Å; L927-L954 HydrophobicContact CD1-CB 4.5Å; L927-L954 HydrophobicContact CD2-CB 4.25Å; L927-Q955 HydrophobicContact CD1-CB 4.38Å; L927-Q955 HydrophobicContact CD2-CB 4.28Å
928	A	87.9	Confident	88.9	Confident	45 Å²	45	36.8 Å²	36.8	37%	0.372	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-20.9	174.9	0	0	0	0	0	113.4	N910 D925	N910-A928 HydrophobicContact CB-CB 3.92Å; N910-A928 PolarHBondContact ND2-O 2.62Å; D925-A928 HydrophobicContact CB-CB 3.95Å; D925-A928 PolarHBondContact OD1-N 2.87Å; D925-A928 WeakPolarHBondContact OD2-CB 3.43Å
929	S	90	Very high	89.1	Confident	3 Å²	3	34.5 Å²	34.5	2%	0.021	19%	0.192	C	C	.	.			trans	-81.8	143	173.2	-52.6	0	0	0	0	110.7	T908 N910 V924 D925	T908-S929 WeakPolarHBondContact O-CA 3.38Å; T908-S929 WeakPolarHBondContact O-CB 3.47Å; N910-S929 PolarHBondContact N-OG 3.03Å; V924-S929 VanDerWaalsContact CG1-OG 3.26Å; V924-S929 WeakPolarHBondContact CG1-OG 3.35Å; D925-S929 WeakPolarHBondContact O-CB 3.42Å; D925-S929 PolarHBondContact O-N 3.47Å; D925-S929 PolarHBondContact O-OG 2.95Å
930	S	90.1	Very high	89.3	Confident	64 Å²	64	34.8 Å²	34.8	45%	0.448	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	153.6	-173.6	60.2	0	0	0	0	112.5	S907 T908	S907-S930 CarbonylContact C-O 3.59Å; S907-S930 VanDerWaalsContact CA-O 3.3Å; S907-S930 WeakPolarHBondContact CA-O 3.19Å; S907-S930 WeakPolarHBondContact CB-O 3.47Å; T908-S930 PolarHBondContact N-O 2.86Å; T908-S930 PolarHBondContact O-N 3.44Å; T908-S930 PolarHBondContact OG1-N 3.39Å; T908-S930 PolarHBondContact OG1-OG 3.07Å
931	S	90.1	Very high	89.5	Confident	20 Å²	20	38.1 Å²	38.1	14%	0.14	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	142.8	177.1	-178.6	0	0	0	0	113.3	P727 S907 A933 L934	P727-S931 VanDerWaalsContact O-CB 3.32Å; P727-S931 WeakPolarHBondContact O-CB 3.37Å; P727-S931 PolarHBondContact O-OG 2.92Å; S907-S931 WeakPolarHBondContact CB-OG 3.43Å; S931-A933 PolarHBondContact O-N 3.26Å; S931-A933 WeakPolarHBondContact OG-CB 3.39Å; S931-A933 PolarHBondContact OG-N 2.9Å; S931-L934 PolarHBondContact O-N 3.02Å
932	R	82.7	Confident	89.8	Confident	69 Å²	69	38.3 Å²	38.3	26%	0.26	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-24.5	166.9	-74	174.7	-178.9	-178.2	-9.5	113.9	L729 D906 L934	L729-R932 HydrophobicContact CD1-CB 4.44Å; D906-R932 WeakPolarHBondContact O-CB 3.39Å; D906-R932 VanDerWaalsContact O-CG 3.31Å; D906-R932 WeakPolarHBondContact O-CG 3.47Å; D906-R932 PolarHBondContact O-N 2.7Å; D906-R932 IonicContact OD1-CZ 3.42Å; D906-R932 IonicContact OD1-NE 2.69Å; D906-R932 IonicContact OD1-NH1 3.51Å; D906-R932 PolarHBondContact OD1-NH1 3.44Å; R932-L934 PolarHBondContact O-N 2.92Å
933	A	88	Confident	89.9	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-19.8	178.2	0	0	0	0	0	112.8	I714 P727 L729 S931 A935 I938 V939	I714-A933 HydrophobicContact CG1-CB 4.3Å; P727-A933 HydrophobicContact CB-CB 4.18Å; P727-A933 HydrophobicContact CG-CB 4Å; P727-A933 WeakPolarHBondContact O-CB 3.45Å; L729-A933 HydrophobicContact CD2-CB 3.63Å; L729-A933 HydrophobicContact CG-CB 3.97Å; S931-A933 PolarHBondContact O-N 3.26Å; S931-A933 WeakPolarHBondContact OG-CB 3.39Å; S931-A933 PolarHBondContact OG-N 2.9Å; A933-A935 PolarHBondContact O-N 3.38Å; A933-I938 HydrophobicContact CB-CG2 4.02Å; A933-I938 WeakPolarHBondContact O-CB 2.93Å; A933-V939 WeakPolarHBondContact O-CG1 3.48Å
934	L	90.5	Very high	90	Very high	29 Å²	29	41.7 Å²	41.7	15%	0.152	23%	0.227	C	C	.	.			trans	-78.3	59.1	-178.7	-162.3	68	0	0	0	111.7	L724 P727 S931 R932 V939 Y944 A947	L724-L934 WeakPolarHBondContact O-CD1 3.32Å; P727-L934 HydrophobicContact CG-CD1 4.36Å; S931-L934 PolarHBondContact O-N 3.02Å; R932-L934 PolarHBondContact O-N 2.92Å; L934-V939 HydrophobicContact CD1-CG1 4.29Å; L934-V939 HydrophobicContact CD1-CG2 4.38Å; L934-Y944 HydrophobicContact CG-CD2 4.46Å; L934-Y944 WeakPolarHBondContact O-CD2 3.29Å; L934-Y944 WeakPolarHBondContact O-CE2 3.43Å; L934-A947 HydrophobicContact CD1-CB 3.76Å; L934-A947 HydrophobicContact CD2-CB 4.44Å
935	A	87.3	Confident	90.2	Very high	18 Å²	18	46.5 Å²	46.5	15%	0.149	25%	0.249	C	C	.	.	S	Bend	trans	-130.9	140.7	175.6	0	0	0	0	0	109.4	A933 E937 I938 V939	A933-A935 PolarHBondContact O-N 3.38Å; A935-E937 HydrophobicContact CB-CG 4.14Å; A935-E937 PolarHBondContact O-N 2.7Å; A935-I938 PolarHBondContact O-N 2.78Å; A935-V939 WeakPolarHBondContact O-CG2 3.06Å; A935-V939 PolarHBondContact O-N 2.91Å
936	P	87.5	Confident	90.4	Very high	38 Å²	38	46.3 Å²	46.3	25%	0.247	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-26.9	-175	-26.7	34	0	0	0	115.2	I938 G940 Y944	P936-I938 VanDerWaalsContact C-N 3.32Å; P936-G940 CarbonylContact O-C 2.87Å; P936-G940 WeakPolarHBondContact O-CA 3.33Å; P936-G940 PolarHBondContact O-N 3.2Å; P936-G940 VanDerWaalsContact O-N 3.16Å; P936-Y944 HydrophobicContact CG-CD1 3.74Å; P936-Y944 HydrophobicContact CG-CD2 3.98Å; P936-Y944 HydrophobicContact CG-CE1 4.11Å; P936-Y944 HydrophobicContact CG-CE2 4.32Å; P936-Y944 HydrophobicContact CG-CG 3.67Å
937	E	87.3	Confident	90.6	Very high	150 Å²	150	45.8 Å²	45.8	70%	0.701	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-14.3	175.8	56.7	-95.8	-132.2	0	0	115	A935	A935-E937 HydrophobicContact CB-CG 4.14Å; A935-E937 PolarHBondContact O-N 2.7Å
938	I	86.8	Confident	90.8	Very high	49 Å²	49	45.8 Å²	45.8	25%	0.251	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-57.3	-179.4	-63.2	168.1	0	0	0	111.2	I714 L729 A933 A935 P936 G940	I714-I938 HydrophobicContact CD1-CG2 4.15Å; I714-I938 HydrophobicContact CG1-CG2 3.88Å; L729-I938 HydrophobicContact CD2-CG2 4.05Å; A933-I938 HydrophobicContact CB-CG2 4.02Å; A933-I938 WeakPolarHBondContact O-CB 2.93Å; A935-I938 PolarHBondContact O-N 2.78Å; P936-I938 VanDerWaalsContact C-N 3.32Å; I938-G940 VanDerWaalsContact C-N 3.31Å
939	V	90.8	Very high	91.1	Very high	20 Å²	20	46.7 Å²	46.7	12%	0.121	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-20	176.2	-80.5	0	0	0	0	113.6	I714 P727 A933 L934 A935 H943	I714-V939 HydrophobicContact CD1-CB 4.16Å; I714-V939 HydrophobicContact CD1-CG1 3.39Å; P727-V939 HydrophobicContact CB-CG1 4.49Å; P727-V939 HydrophobicContact CG-CG1 3.75Å; A933-V939 WeakPolarHBondContact O-CG1 3.48Å; L934-V939 HydrophobicContact CD1-CG1 4.29Å; L934-V939 HydrophobicContact CD1-CG2 4.38Å; A935-V939 WeakPolarHBondContact O-CG2 3.06Å; A935-V939 PolarHBondContact O-N 2.91Å; V939-H943 HydrophobicContact CB-CB 3.93Å; V939-H943 HydrophobicContact CG2-CB 4.47Å
940	G	90.6	Very high	91.4	Very high	30 Å²	30	46.5 Å²	46.5	31%	0.309	24%	0.243	S	C	.	.			trans	82.7	155.5	-166.5	0	0	0	0	0	112.9	P936 I938 E942 Y944	P936-G940 CarbonylContact O-C 2.87Å; P936-G940 WeakPolarHBondContact O-CA 3.33Å; P936-G940 PolarHBondContact O-N 3.2Å; P936-G940 VanDerWaalsContact O-N 3.16Å; I938-G940 VanDerWaalsContact C-N 3.31Å; G940-E942 PolarHBondContact O-N 3.16Å; G940-Y944 PolarHBondContact O-N 2.89Å; G940-Y944 VanDerWaalsContact O-N 3.12Å
941	Q	92.5	Very high	91.6	Very high	75 Å²	75	45.6 Å²	45.6	35%	0.35	23%	0.232	S	C	.	.	H	α-helix	trans	-58.2	-47.6	-170.9	-171	69.8	29.7	0	0	114	Y944 E945	Q941-Y944 PolarHBondContact O-N 3.31Å; Q941-E945 HydrophobicContact CG-CG 4.44Å; Q941-E945 VanDerWaalsContact CG-OE1 3.29Å; Q941-E945 WeakPolarHBondContact CG-OE1 3.25Å; Q941-E945 PolarHBondContact NE2-OE1 3.31Å; Q941-E945 WeakPolarHBondContact O-CB 3.23Å; Q941-E945 WeakPolarHBondContact O-CG 3.5Å; Q941-E945 PolarHBondContact O-N 2.96Å
942	E	94.7	Very high	91.8	Very high	103 Å²	103	51.3 Å²	51.3	48%	0.481	25%	0.25	S	S	.	.	H	α-helix	trans	-68	-39.7	-173.6	178.4	165.7	-147.7	0	0	112.3	G940 V946 V1014 K1018	G940-E942 PolarHBondContact O-N 3.16Å; E942-V946 WeakPolarHBondContact O-CB 3.16Å; E942-V946 VanDerWaalsContact O-CG2 3.24Å; E942-V946 WeakPolarHBondContact O-CG2 3.3Å; E942-V946 PolarHBondContact O-N 3.12Å; E942-V1014 HydrophobicContact CG-CG1 4.14Å; E942-K1018 IonicContact OE1-NZ 3.66Å; E942-K1018 PolarHBondContact OE1-NZ 3.39Å
943	H	95.7	Very high	92.4	Very high	10 Å²	10	48.4 Å²	48.4	5%	0.046	24%	0.24	C	C	.	.	H	α-helix	trans	-62.2	-49.8	172.7	-175.3	152.2	0	0	0	110.3	D723 L724 V939 E945 V946 A947 V1010 V1014	D723-H943 PolarHBondContact O-CE1 3.32Å; D723-H943 PolarHBondContact O-NE2 3.03Å; L724-H943 PolarHBondContact O-NE2 3.15Å; L724-H943 VanDerWaalsContact O-NE2 3.08Å; V939-H943 HydrophobicContact CB-CB 3.93Å; V939-H943 HydrophobicContact CG2-CB 4.47Å; H943-E945 VanDerWaalsContact C-N 3.35Å; H943-E945 PolarHBondContact O-N 3.21Å; H943-V946 PolarHBondContact O-N 3.18Å; H943-A947 VanDerWaalsContact O-CB 3.24Å; H943-A947 WeakPolarHBondContact O-CB 3.35Å; H943-A947 PolarHBondContact O-N 2.76Å; H943-V1010 VanDerWaalsContact ND1-CG1 3.33Å; H943-V1010 WeakPolarHBondContact ND1-CG1 3.18Å; H943-V1014 HydrophobicContact CB-CG2 3.92Å
944	Y	93.8	Very high	92.7	Very high	70 Å²	70	48.8 Å²	48.8	28%	0.275	24%	0.242	S	C	.	.	H	α-helix	trans	-57.6	-44.5	178.1	178.7	-92	0	0	0	112.7	L934 P936 G940 Q941 T948	L934-Y944 HydrophobicContact CG-CD2 4.46Å; L934-Y944 WeakPolarHBondContact O-CD2 3.29Å; L934-Y944 WeakPolarHBondContact O-CE2 3.43Å; P936-Y944 HydrophobicContact CG-CD1 3.74Å; P936-Y944 HydrophobicContact CG-CD2 3.98Å; P936-Y944 HydrophobicContact CG-CE1 4.11Å; P936-Y944 HydrophobicContact CG-CE2 4.32Å; P936-Y944 HydrophobicContact CG-CG 3.67Å; G940-Y944 PolarHBondContact O-N 2.89Å; G940-Y944 VanDerWaalsContact O-N 3.12Å; Q941-Y944 PolarHBondContact O-N 3.31Å; Y944-T948 VanDerWaalsContact O-CB 3.27Å; Y944-T948 WeakPolarHBondContact O-CB 3.5Å; Y944-T948 PolarHBondContact O-N 2.82Å; Y944-T948 PolarHBondContact O-OG1 3.31Å
945	E	95.3	Very high	92.8	Very high	105 Å²	105	52.6 Å²	52.6	49%	0.491	26%	0.259	S	S	.	.	H	α-helix	trans	-62.7	-49.1	177.8	-75.8	169.5	177.5	0	0	111.7	Q941 H943 T948 E949	Q941-E945 HydrophobicContact CG-CG 4.44Å; Q941-E945 VanDerWaalsContact CG-OE1 3.29Å; Q941-E945 WeakPolarHBondContact CG-OE1 3.25Å; Q941-E945 PolarHBondContact NE2-OE1 3.31Å; Q941-E945 WeakPolarHBondContact O-CB 3.23Å; Q941-E945 WeakPolarHBondContact O-CG 3.5Å; Q941-E945 PolarHBondContact O-N 2.96Å; H943-E945 VanDerWaalsContact C-N 3.35Å; H943-E945 PolarHBondContact O-N 3.21Å; E945-T948 PolarHBondContact O-N 3.48Å; E945-E949 VanDerWaalsContact O-CB 3.31Å; E945-E949 WeakPolarHBondContact O-CB 3.31Å; E945-E949 PolarHBondContact O-N 3.43Å
946	V	96.1	Very high	93	Very high	9 Å²	9	56.1 Å²	56.1	6%	0.055	27%	0.269	C	S	.	.	H	α-helix	trans	-64.4	-41.5	179.4	172.7	0	0	0	0	111.5	L724 E942 H943 E949 V950 V1014 F1017 K1018 L1021	L724-V946 HydrophobicContact CD1-CG1 4.14Å; E942-V946 WeakPolarHBondContact O-CB 3.16Å; E942-V946 VanDerWaalsContact O-CG2 3.24Å; E942-V946 WeakPolarHBondContact O-CG2 3.3Å; E942-V946 PolarHBondContact O-N 3.12Å; H943-V946 PolarHBondContact O-N 3.18Å; V946-E949 PolarHBondContact O-N 3.21Å; V946-V950 WeakPolarHBondContact O-CB 3.31Å; V946-V950 WeakPolarHBondContact O-CG2 3.32Å; V946-V950 PolarHBondContact O-N 2.6Å; V946-V1014 HydrophobicContact CB-CG1 4.27Å; V946-V1014 HydrophobicContact CG1-CG1 4.5Å; V946-V1014 HydrophobicContact CG2-CG1 4.1Å; V946-F1017 HydrophobicContact CG1-CB 3.74Å; V946-K1018 HydrophobicContact CG1-CB 4.36Å; V946-K1018 HydrophobicContact CG2-CB 3.75Å; V946-K1018 HydrophobicContact CG2-CD 4.27Å; V946-K1018 HydrophobicContact CG2-CG 3.97Å; V946-L1021 HydrophobicContact CG1-CD1 4.25Å
947	A	95.3	Very high	93.3	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65.8	-46.3	177.5	0	0	0	0	0	112.4	L724 L725 L934 H943 E949 V950 Q951	L724-A947 HydrophobicContact CD1-CB 4.18Å; L724-A947 HydrophobicContact CG-CB 4.11Å; L724-A947 WeakPolarHBondContact O-CB 3.44Å; L725-A947 HydrophobicContact CD2-CB 3.85Å; L934-A947 HydrophobicContact CD1-CB 3.76Å; L934-A947 HydrophobicContact CD2-CB 4.44Å; H943-A947 VanDerWaalsContact O-CB 3.24Å; H943-A947 WeakPolarHBondContact O-CB 3.35Å; H943-A947 PolarHBondContact O-N 2.76Å; A947-E949 VanDerWaalsContact C-N 3.31Å; A947-E949 PolarHBondContact O-N 3.47Å; A947-V950 PolarHBondContact O-N 2.96Å; A947-Q951 WeakPolarHBondContact O-CG 3.42Å; A947-Q951 PolarHBondContact O-N 2.83Å
948	T	93.3	Very high	93.4	Very high	55 Å²	55	54.6 Å²	54.6	34%	0.337	25%	0.252	S	S	.	.	H	α-helix	trans	-61	-41.9	177.1	-57.2	0	0	0	0	110.9	Y944 E945 Q951 R952	Y944-T948 VanDerWaalsContact O-CB 3.27Å; Y944-T948 WeakPolarHBondContact O-CB 3.5Å; Y944-T948 PolarHBondContact O-N 2.82Å; Y944-T948 PolarHBondContact O-OG1 3.31Å; E945-T948 PolarHBondContact O-N 3.48Å; T948-Q951 PolarHBondContact O-N 2.85Å; T948-R952 WeakPolarHBondContact O-CB 3.21Å; T948-R952 PolarHBondContact O-N 3.4Å
949	E	95.4	Very high	93.5	Very high	63 Å²	63	56.6 Å²	56.6	29%	0.294	26%	0.26	S	S	.	.	H	α-helix	trans	-70.7	-37.7	178.8	-178.4	61.3	-168.4	0	0	112.3	E945 V946 A947 Q951 R952 V953 L1021	E945-E949 VanDerWaalsContact O-CB 3.31Å; E945-E949 WeakPolarHBondContact O-CB 3.31Å; E945-E949 PolarHBondContact O-N 3.43Å; V946-E949 PolarHBondContact O-N 3.21Å; A947-E949 VanDerWaalsContact C-N 3.31Å; A947-E949 PolarHBondContact O-N 3.47Å; E949-Q951 PolarHBondContact O-N 3.17Å; E949-R952 PolarHBondContact O-N 2.91Å; E949-R952 IonicContact OE1-CZ 3.92Å; E949-R952 IonicContact OE1-NE 3.31Å; E949-R952 PolarHBondContact OE1-NE 2.83Å; E949-R952 IonicContact OE1-NH2 2.65Å; E949-R952 PolarHBondContact OE1-NH2 3.35Å; E949-R952 IonicContact OE2-CZ 2.7Å; E949-R952 IonicContact OE2-NE 2.75Å; E949-R952 PolarHBondContact OE2-NE 2.78Å; E949-R952 IonicContact OE2-NH2 2.74Å; E949-R952 PolarHBondContact OE2-NH2 3.14Å; E949-V953 WeakPolarHBondContact O-CG2 3.33Å; E949-V953 PolarHBondContact O-N 2.92Å; E949-L1021 HydrophobicContact CB-CD1 3.8Å; E949-L1021 HydrophobicContact CG-CD1 3.55Å; E949-L1021 HydrophobicContact CG-CD2 3.78Å; E949-L1021 HydrophobicContact CG-CG 4.2Å
950	V	95.7	Very high	93.6	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-58.1	-46.5	169.3	159.3	0	0	0	0	111	L724 L725 V946 A947 V953 L954 I986 F1017 L1021	L724-V950 HydrophobicContact CD2-CB 4.29Å; L724-V950 HydrophobicContact CD2-CG1 4.18Å; L724-V950 HydrophobicContact CD2-CG2 4.06Å; L725-V950 HydrophobicContact CD1-CG1 4.04Å; L725-V950 HydrophobicContact CD2-CB 4.41Å; L725-V950 HydrophobicContact CD2-CG1 4Å; V946-V950 WeakPolarHBondContact O-CB 3.31Å; V946-V950 WeakPolarHBondContact O-CG2 3.32Å; V946-V950 PolarHBondContact O-N 2.6Å; A947-V950 PolarHBondContact O-N 2.96Å; V950-V953 PolarHBondContact O-N 2.78Å; V950-L954 HydrophobicContact CG1-CD1 3.7Å; V950-L954 WeakPolarHBondContact O-CB 3.44Å; V950-L954 VanDerWaalsContact O-CG 3.29Å; V950-L954 WeakPolarHBondContact O-CG 3.4Å; V950-L954 PolarHBondContact O-N 2.73Å; V950-I986 HydrophobicContact CG1-CG2 3.78Å; V950-I986 HydrophobicContact CG2-CD1 4.4Å; V950-I986 HydrophobicContact CG2-CG2 4.35Å; V950-F1017 HydrophobicContact CG2-CB 4Å; V950-F1017 HydrophobicContact CG2-CD1 3.77Å; V950-F1017 HydrophobicContact CG2-CG 4.15Å; V950-L1021 HydrophobicContact CG2-CD1 4Å; V950-L1021 HydrophobicContact CG2-CG 4.38Å
951	Q	93.5	Very high	93.5	Very high	44 Å²	44	56.6 Å²	56.6	21%	0.206	25%	0.25	C	S	.	.	H	α-helix	trans	-63.3	-43.1	176.5	-72.7	-179.6	-37.9	0	0	111.8	L725 P926 L927 A947 T948 E949 V953 L954 Q955	L725-Q951 HydrophobicContact CD2-CG 3.96Å; P926-Q951 PolarHBondContact O-NE2 3.2Å; L927-Q951 HydrophobicContact CD2-CB 4.19Å; L927-Q951 HydrophobicContact CD2-CG 4.34Å; A947-Q951 WeakPolarHBondContact O-CG 3.42Å; A947-Q951 PolarHBondContact O-N 2.83Å; T948-Q951 PolarHBondContact O-N 2.85Å; E949-Q951 PolarHBondContact O-N 3.17Å; Q951-V953 PolarHBondContact O-N 3.06Å; Q951-L954 PolarHBondContact O-N 3.39Å; Q951-Q955 VanDerWaalsContact O-CB 3.29Å; Q951-Q955 WeakPolarHBondContact O-CB 3.46Å; Q951-Q955 PolarHBondContact O-N 3.2Å
952	R	94.9	Very high	93.1	Very high	141 Å²	141	58.5 Å²	58.5	53%	0.532	26%	0.263	S	S	.	.	H	α-helix	trans	-58.2	-45.8	176	-168.5	-177.6	75	93.8	-0.2	112.1	T948 E949 R956	T948-R952 WeakPolarHBondContact O-CB 3.21Å; T948-R952 PolarHBondContact O-N 3.4Å; E949-R952 PolarHBondContact O-N 2.91Å; E949-R952 IonicContact OE1-CZ 3.92Å; E949-R952 IonicContact OE1-NE 3.31Å; E949-R952 PolarHBondContact OE1-NE 2.83Å; E949-R952 IonicContact OE1-NH2 2.65Å; E949-R952 PolarHBondContact OE1-NH2 3.35Å; E949-R952 IonicContact OE2-CZ 2.7Å; E949-R952 IonicContact OE2-NE 2.75Å; E949-R952 PolarHBondContact OE2-NE 2.78Å; E949-R952 IonicContact OE2-NH2 2.74Å; E949-R952 PolarHBondContact OE2-NH2 3.14Å; R952-R956 WeakPolarHBondContact O-CB 2.87Å; R952-R956 PolarHBondContact O-N 3.43Å
953	V	95	Very high	92.7	Very high	8 Å²	8	56.9 Å²	56.9	5%	0.048	26%	0.257	C	S	.	.	H	α-helix	trans	-66.1	-41.5	178.7	168.2	0	0	0	0	111.6	E949 V950 Q951 Y957 L979 A983 I986 L1021	E949-V953 WeakPolarHBondContact O-CG2 3.33Å; E949-V953 PolarHBondContact O-N 2.92Å; V950-V953 PolarHBondContact O-N 2.78Å; Q951-V953 PolarHBondContact O-N 3.06Å; V953-Y957 WeakPolarHBondContact O-CB 3.26Å; V953-Y957 PolarHBondContact O-N 2.95Å; V953-L979 HydrophobicContact CG1-CD2 4.42Å; V953-L979 HydrophobicContact CG1-CG 4.33Å; V953-A983 HydrophobicContact CG1-CB 3.69Å; V953-I986 HydrophobicContact CB-CD1 4.37Å; V953-I986 HydrophobicContact CG1-CD1 3.85Å; V953-L1021 HydrophobicContact CG2-CD2 3.9Å
954	L	94.3	Very high	92.3	Very high	7 Å²	7	58.1 Å²	58.1	4%	0.037	26%	0.264	C	S	.	.	H	α-helix	trans	-71.2	-37.4	178.1	-69.8	167.4	0	0	0	113	P926 L927 V950 Q951 Y957 R958 I986 Q987 L990	P926-L954 HydrophobicContact CB-CD1 3.86Å; P926-L954 HydrophobicContact CG-CD1 3.68Å; L927-L954 HydrophobicContact CD1-CB 4.5Å; L927-L954 HydrophobicContact CD2-CB 4.25Å; V950-L954 HydrophobicContact CG1-CD1 3.7Å; V950-L954 WeakPolarHBondContact O-CB 3.44Å; V950-L954 VanDerWaalsContact O-CG 3.29Å; V950-L954 WeakPolarHBondContact O-CG 3.4Å; V950-L954 PolarHBondContact O-N 2.73Å; Q951-L954 PolarHBondContact O-N 3.39Å; L954-Y957 PolarHBondContact O-N 2.87Å; L954-R958 PolarHBondContact O-N 2.85Å; L954-I986 HydrophobicContact CD1-CG2 3.82Å; L954-I986 HydrophobicContact CD2-CB 4.5Å; L954-I986 HydrophobicContact CD2-CG2 3.94Å; L954-I986 HydrophobicContact CG-CG2 3.95Å; L954-Q987 HydrophobicContact CD2-CB 4.15Å; L954-L990 HydrophobicContact CD1-CD1 3.88Å
955	Q	92.5	Very high	92	Very high	110 Å²	110	58.9 Å²	58.9	51%	0.514	28%	0.284	S	S	.	.	H	α-helix	trans	-65.6	-46.9	173.8	-178	172.4	-4.5	0	0	111	L927 Q951 Y957 R958 E959	L927-Q955 HydrophobicContact CD1-CB 4.38Å; L927-Q955 HydrophobicContact CD2-CB 4.28Å; Q951-Q955 VanDerWaalsContact O-CB 3.29Å; Q951-Q955 WeakPolarHBondContact O-CB 3.46Å; Q951-Q955 PolarHBondContact O-N 3.2Å; Q955-Y957 VanDerWaalsContact C-N 3.28Å; Q955-Y957 PolarHBondContact O-N 2.78Å; Q955-R958 WeakPolarHBondContact O-CB 3.33Å; Q955-R958 PolarHBondContact O-N 3.23Å; Q955-E959 PolarHBondContact O-N 3.44Å; Q955-E959 VanDerWaalsContact O-N 3.08Å
956	R	92.3	Very high	91.6	Very high	91 Å²	91	60.4 Å²	60.4	34%	0.343	30%	0.295	S	S	.	.	H	α-helix	trans	-62.9	-35.8	175	-176.8	56	178	-174.4	3.2	111.8	R952 R958 E959 L960 E976 L979	R952-R956 WeakPolarHBondContact O-CB 2.87Å; R952-R956 PolarHBondContact O-N 3.43Å; R956-R958 PolarHBondContact O-N 2.95Å; R956-E959 WeakPolarHBondContact CD-OE2 3.49Å; R956-E959 IonicContact CZ-OE2 2.69Å; R956-E959 IonicContact NE-OE2 3.32Å; R956-E959 IonicContact NH1-OE2 3.3Å; R956-E959 PolarHBondContact NH1-OE2 3.45Å; R956-E959 WeakPolarHBondContact O-CB 3.49Å; R956-E959 PolarHBondContact O-N 3.04Å; R956-L960 HydrophobicContact CG-CD1 4.35Å; R956-L960 VanDerWaalsContact O-CG 3.28Å; R956-L960 WeakPolarHBondContact O-CG 3.33Å; R956-L960 PolarHBondContact O-N 2.92Å; R956-E976 IonicContact CZ-OE1 2.68Å; R956-E976 IonicContact NH2-OE1 3.8Å; R956-E976 PolarHBondContact NH2-OE1 3.35Å; R956-L979 HydrophobicContact CB-CD1 4.14Å; R956-L979 HydrophobicContact CB-CD2 4.01Å; R956-L979 HydrophobicContact CG-CD1 3.72Å; R956-L979 HydrophobicContact CG-CD2 3.84Å; R956-L979 HydrophobicContact CG-CG 4.49Å
957	Y	93.8	Very high	91.2	Very high	21 Å²	21	65.3 Å²	65.3	8%	0.082	32%	0.32	C	S	.	.	H	α-helix	trans	-62.8	-39.3	171.6	174	-138.9	0	0	0	112.6	V953 L954 Q955 E959 L960 Q961 V980 A983 R984	V953-Y957 WeakPolarHBondContact O-CB 3.26Å; V953-Y957 PolarHBondContact O-N 2.95Å; L954-Y957 PolarHBondContact O-N 2.87Å; Q955-Y957 VanDerWaalsContact C-N 3.28Å; Q955-Y957 PolarHBondContact O-N 2.78Å; Y957-E959 VanDerWaalsContact C-N 3.35Å; Y957-E959 PolarHBondContact O-N 2.96Å; Y957-L960 CarbonylContact O-C 3.57Å; Y957-L960 PolarHBondContact O-N 3.35Å; Y957-Q961 HydrophobicContact CD2-CG 4.05Å; Y957-Q961 HydrophobicContact CE2-CG 3.66Å; Y957-Q961 WeakPolarHBondContact O-CG 3.47Å; Y957-Q961 PolarHBondContact O-N 3.26Å; Y957-Q961 PolarHBondContact OH-NE2 2.85Å; Y957-Q961 VanDerWaalsContact OH-NE2 3.1Å; Y957-V980 HydrophobicContact CD2-CB 4.45Å; Y957-V980 HydrophobicContact CD2-CG1 4.15Å; Y957-V980 HydrophobicContact CD2-CG2 4.07Å; Y957-V980 HydrophobicContact CE2-CG1 3.9Å; Y957-A983 HydrophobicContact CD1-CB 3.6Å; Y957-A983 HydrophobicContact CD2-CB 4.34Å; Y957-A983 HydrophobicContact CE1-CB 4.48Å; Y957-A983 HydrophobicContact CG-CB 3.51Å; Y957-R984 HydrophobicContact CE1-CG 4.13Å; Y957-R984 HydrophobicContact CE2-CG 4.4Å
958	R	89.2	Confident	90.7	Very high	136 Å²	136	66.6 Å²	66.6	51%	0.513	33%	0.333	S	S	.	.	H	α-helix	trans	-61	-41.1	174.3	-171.9	176.5	180	148	-0.1	112	L954 Q955 R956 Q961	L954-R958 PolarHBondContact O-N 2.85Å; Q955-R958 WeakPolarHBondContact O-CB 3.33Å; Q955-R958 PolarHBondContact O-N 3.23Å; R956-R958 PolarHBondContact O-N 2.95Å; R958-Q961 PolarHBondContact O-N 3.14Å
959	E	89.7	Confident	90.4	Very high	90 Å²	90	66.9 Å²	66.9	42%	0.421	33%	0.331	S	S	.	.	H	α-helix	trans	-62.1	-43	172.1	-64.1	166.8	-167.5	0	0	112	Q955 R956 Y957 Q961	Q955-E959 PolarHBondContact O-N 3.44Å; Q955-E959 VanDerWaalsContact O-N 3.08Å; R956-E959 WeakPolarHBondContact CD-OE2 3.49Å; R956-E959 IonicContact CZ-OE2 2.69Å; R956-E959 IonicContact NE-OE2 3.32Å; R956-E959 IonicContact NH1-OE2 3.3Å; R956-E959 PolarHBondContact NH1-OE2 3.45Å; R956-E959 WeakPolarHBondContact O-CB 3.49Å; R956-E959 PolarHBondContact O-N 3.04Å; Y957-E959 VanDerWaalsContact C-N 3.35Å; Y957-E959 PolarHBondContact O-N 2.96Å; E959-Q961 VanDerWaalsContact C-N 3.34Å; E959-Q961 PolarHBondContact O-N 2.79Å
960	L	91.6	Very high	90.1	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-72.3	-23	178.8	-64.6	177.3	0	0	0	113.2	R956 Y957 D962 I963 I964 L972 E976 L979 V980	R956-L960 HydrophobicContact CG-CD1 4.35Å; R956-L960 VanDerWaalsContact O-CG 3.28Å; R956-L960 WeakPolarHBondContact O-CG 3.33Å; R956-L960 PolarHBondContact O-N 2.92Å; Y957-L960 CarbonylContact O-C 3.57Å; Y957-L960 PolarHBondContact O-N 3.35Å; L960-D962 VanDerWaalsContact C-N 3.31Å; L960-D962 PolarHBondContact O-N 2.72Å; L960-I963 HydrophobicContact CD2-CD1 4.15Å; L960-I963 PolarHBondContact O-N 2.97Å; L960-I964 HydrophobicContact CB-CD1 4.42Å; L960-I964 WeakPolarHBondContact O-CB 3.38Å; L960-I964 WeakPolarHBondContact O-CD1 3.34Å; L960-I964 WeakPolarHBondContact O-CG1 3.04Å; L960-I964 PolarHBondContact O-N 2.91Å; L960-L972 HydrophobicContact CD2-CD2 3.95Å; L960-E976 HydrophobicContact CD1-CB 3.9Å; L960-E976 HydrophobicContact CD1-CG 4.04Å; L960-E976 HydrophobicContact CD2-CG 4.28Å; L960-L979 HydrophobicContact CD1-CD2 4.11Å; L960-V980 HydrophobicContact CB-CG2 4.2Å; L960-V980 HydrophobicContact CD1-CG2 3.69Å
961	Q	88.2	Confident	89.7	Confident	50 Å²	50	77.4 Å²	77.4	23%	0.234	39%	0.385	C	S	.	.	H	α-helix	trans	-59.3	-41.3	177.5	-82.9	-172.2	-9.8	0	0	111.8	Y957 R958 E959 I964 A965	Y957-Q961 HydrophobicContact CD2-CG 4.05Å; Y957-Q961 HydrophobicContact CE2-CG 3.66Å; Y957-Q961 WeakPolarHBondContact O-CG 3.47Å; Y957-Q961 PolarHBondContact O-N 3.26Å; Y957-Q961 PolarHBondContact OH-NE2 2.85Å; Y957-Q961 VanDerWaalsContact OH-NE2 3.1Å; R958-Q961 PolarHBondContact O-N 3.14Å; E959-Q961 VanDerWaalsContact C-N 3.34Å; E959-Q961 PolarHBondContact O-N 2.79Å; Q961-I964 PolarHBondContact O-N 3.02Å; Q961-A965 WeakPolarHBondContact O-CB 3.47Å; Q961-A965 PolarHBondContact O-N 2.87Å
962	D	84.3	Confident	89.4	Confident	115 Å²	115	75.7 Å²	75.7	62%	0.615	38%	0.377	S	S	*	.	H	α-helix	trans	-67.8	-37.6	178.1	-69.1	-25.6	0	0	0	111.6	L960 A965 I966	L960-D962 VanDerWaalsContact C-N 3.31Å; L960-D962 PolarHBondContact O-N 2.72Å; D962-A965 PolarHBondContact O-N 3.05Å; D962-I966 WeakPolarHBondContact O-CD1 3.35Å; D962-I966 VanDerWaalsContact O-CG1 3.3Å; D962-I966 WeakPolarHBondContact O-CG1 3.43Å; D962-I966 PolarHBondContact O-N 3.02Å
963	I	86.2	Confident	89.2	Confident	69 Å²	69	71.6 Å²	71.6	35%	0.354	37%	0.37	S	S	.	.	H	α-helix	trans	-65.5	-47.4	174.9	-58.2	-177.1	0	0	0	110.6	L960 A965 I966 L967 L972	L960-I963 HydrophobicContact CD2-CD1 4.15Å; L960-I963 PolarHBondContact O-N 2.97Å; I963-A965 VanDerWaalsContact C-N 3.27Å; I963-A965 PolarHBondContact O-N 3.01Å; I963-I966 PolarHBondContact O-N 3.18Å; I963-I966 VanDerWaalsContact O-N 3.14Å; I963-L967 HydrophobicContact CG2-CD1 4.11Å; I963-L967 PolarHBondContact O-N 2.73Å; I963-L972 HydrophobicContact CG2-CD2 4.05Å
964	I	88.8	Confident	88.9	Confident	37 Å²	37	77.1 Å²	77.1	19%	0.19	40%	0.399	C	S	.	.	H	α-helix	trans	-60.1	-37.6	177	-66.8	160.3	0	0	0	111	L960 Q961 I966 G968 M969 L972 V980	L960-I964 HydrophobicContact CB-CD1 4.42Å; L960-I964 WeakPolarHBondContact O-CB 3.38Å; L960-I964 WeakPolarHBondContact O-CD1 3.34Å; L960-I964 WeakPolarHBondContact O-CG1 3.04Å; L960-I964 PolarHBondContact O-N 2.91Å; Q961-I964 PolarHBondContact O-N 3.02Å; I964-I966 VanDerWaalsContact C-N 3.3Å; I964-I966 PolarHBondContact O-N 2.88Å; I964-G968 VanDerWaalsContact O-CA 3.23Å; I964-G968 WeakPolarHBondContact O-CA 3.21Å; I964-G968 PolarHBondContact O-N 3.38Å; I964-M969 HydrophobicContact CG2-CB 4.42Å; I964-L972 HydrophobicContact CD1-CD1 3.97Å; I964-L972 HydrophobicContact CG1-CD1 3.79Å; I964-L972 HydrophobicContact CG1-CG 4.4Å; I964-V980 HydrophobicContact CD1-CG1 4.19Å; I964-V980 HydrophobicContact CD1-CG2 4.01Å
965	A	86.2	Confident	88.8	Confident	85 Å²	85	84.7 Å²	84.7	70%	0.702	44%	0.435	S	S	*	.	H	α-helix	trans	-69.8	-24.5	179	0	0	0	0	0	113.8	Q961 D962 I963	Q961-A965 WeakPolarHBondContact O-CB 3.47Å; Q961-A965 PolarHBondContact O-N 2.87Å; D962-A965 PolarHBondContact O-N 3.05Å; I963-A965 VanDerWaalsContact C-N 3.27Å; I963-A965 PolarHBondContact O-N 3.01Å
966	I	87.3	Confident	88.8	Confident	138 Å²	138	81.7 Å²	81.7	71%	0.708	42%	0.42	S	S	*	.	H	α-helix	trans	-97.5	-44	-178.5	-65	167.3	0	0	0	111.9	D962 I963 I964	D962-I966 WeakPolarHBondContact O-CD1 3.35Å; D962-I966 VanDerWaalsContact O-CG1 3.3Å; D962-I966 WeakPolarHBondContact O-CG1 3.43Å; D962-I966 PolarHBondContact O-N 3.02Å; I963-I966 PolarHBondContact O-N 3.18Å; I963-I966 VanDerWaalsContact O-N 3.14Å; I964-I966 VanDerWaalsContact C-N 3.3Å; I964-I966 PolarHBondContact O-N 2.88Å
967	L	87.5	Confident	88.8	Confident	111 Å²	111	80.3 Å²	80.3	58%	0.581	42%	0.417	S	S	*	.	H	α-helix	trans	-109.2	-17.6	-171	-61.3	-177.8	0	0	0	114	I963 E971	I963-L967 HydrophobicContact CG2-CD1 4.11Å; I963-L967 PolarHBondContact O-N 2.73Å; L967-E971 HydrophobicContact CB-CB 4.18Å; L967-E971 HydrophobicContact CB-CG 4.14Å
968	G	85.6	Confident	88.7	Confident	27 Å²	27	82.3 Å²	82.3	28%	0.278	43%	0.432	S	S	.	.			trans	87.9	173.4	-169.9	0	0	0	0	0	113.2	I964	I964-G968 VanDerWaalsContact O-CA 3.23Å; I964-G968 WeakPolarHBondContact O-CA 3.21Å; I964-G968 PolarHBondContact O-N 3.38Å
969	M	87.4	Confident	88.9	Confident	62 Å²	62	77.3 Å²	77.3	31%	0.305	42%	0.415	S	S	.	.	S	Bend	trans	-84.1	-16.3	-174.6	-166.9	165.5	175.1	0	0	113.4	I964 L972 K977 V980 R984	I964-M969 HydrophobicContact CG2-CB 4.42Å; M969-L972 HydrophobicContact CG-CD1 4.41Å; M969-K977 WeakPolarHBondContact O-CE 3.34Å; M969-V980 HydrophobicContact CE-CB 4.17Å; M969-V980 HydrophobicContact CE-CG1 3.64Å; M969-V980 HydrophobicContact SD-CG1 4.48Å; M969-R984 PolarHBondContact SD-NH2 2.85Å
970	D	87.2	Confident	89.1	Confident	139 Å²	139	73 Å²	73	74%	0.743	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-31.3	-178.4	-64.9	-55.8	0	0	0	113.1	L972 K977	D970-L972 VanDerWaalsContact C-N 3.26Å; D970-L972 PolarHBondContact O-N 2.89Å; D970-K977 WeakPolarHBondContact O-CE 3.27Å; D970-K977 PolarHBondContact O-NZ 3.4Å
971	E	87.7	Confident	89.2	Confident	145 Å²	145	73.5 Å²	73.5	68%	0.678	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-6.6	-179.1	-62.1	-65.1	138.5	0	0	113.9	L967	L967-E971 HydrophobicContact CB-CB 4.18Å; L967-E971 HydrophobicContact CB-CG 4.14Å
972	L	88.1	Confident	89.5	Confident	8 Å²	8	74.4 Å²	74.4	4%	0.042	40%	0.401	C	S	.	.	S	Bend	trans	-74	151.6	173.6	-66.9	-174.5	0	0	0	112	L960 I963 I964 M969 D970 E976 K977 V980	L960-L972 HydrophobicContact CD2-CD2 3.95Å; I963-L972 HydrophobicContact CG2-CD2 4.05Å; I964-L972 HydrophobicContact CD1-CD1 3.97Å; I964-L972 HydrophobicContact CG1-CD1 3.79Å; I964-L972 HydrophobicContact CG1-CG 4.4Å; M969-L972 HydrophobicContact CG-CD1 4.41Å; D970-L972 VanDerWaalsContact C-N 3.26Å; D970-L972 PolarHBondContact O-N 2.89Å; L972-E976 HydrophobicContact CB-CB 4.11Å; L972-E976 HydrophobicContact CD1-CB 4.42Å; L972-E976 HydrophobicContact CD2-CB 4.45Å; L972-K977 HydrophobicContact CB-CG 3.91Å; L972-K977 WeakPolarHBondContact O-CE 3.32Å; L972-K977 PolarHBondContact O-NZ 3.1Å; L972-V980 HydrophobicContact CD1-CG2 3.96Å
973	S	90.2	Very high	90	Very high	54 Å²	54	68.9 Å²	68.9	38%	0.378	37%	0.372	S	S	.	.			trans	-65.2	160.3	167.7	64.1	0	0	0	0	111.9	E975 E976 K977	S973-E975 PolarHBondContact O-N 3.11Å; S973-E976 WeakPolarHBondContact CB-OE2 3.43Å; S973-E976 PolarHBondContact N-OE2 3.28Å; S973-E976 PolarHBondContact O-N 3.18Å; S973-E976 VanDerWaalsContact O-N 3.13Å; S973-E976 WeakPolarHBondContact OG-CB 3.36Å; S973-E976 VanDerWaalsContact OG-CD 3.27Å; S973-E976 VanDerWaalsContact OG-CG 3.22Å; S973-E976 WeakPolarHBondContact OG-CG 3.27Å; S973-E976 PolarHBondContact OG-N 2.84Å; S973-E976 PolarHBondContact OG-OE2 3.01Å; S973-K977 WeakPolarHBondContact O-CG 3.41Å; S973-K977 PolarHBondContact O-N 2.77Å
974	D	89.8	Confident	90.3	Very high	124 Å²	124	68.3 Å²	68.3	66%	0.663	37%	0.365	S	S	*	.	H	α-helix	trans	-66.1	-29.2	179.4	-63.2	-32.6	0	0	0	112.3	K977 T978	D974-K977 IonicContact OD1-NZ 2.78Å; D974-T978 WeakPolarHBondContact O-CB 3.49Å; D974-T978 PolarHBondContact O-N 2.86Å; D974-T978 PolarHBondContact O-OG1 3.31Å
975	E	91.2	Very high	90.7	Very high	167 Å²	167	68 Å²	68	78%	0.78	36%	0.361	S	S	*	.	H	α-helix	trans	-65.6	-44.2	170.3	-65	-177	-173.2	0	0	111.3	S973 T978 L979	S973-E975 PolarHBondContact O-N 3.11Å; E975-T978 WeakPolarHBondContact O-CB 3.21Å; E975-T978 PolarHBondContact O-N 2.94Å; E975-L979 WeakPolarHBondContact O-CB 3.31Å; E975-L979 PolarHBondContact O-N 2.94Å
976	E	92.3	Very high	91.1	Very high	46 Å²	46	63.9 Å²	63.9	22%	0.215	33%	0.328	C	S	.	.	H	α-helix	trans	-70.2	-36	177.3	-72.8	167.2	136.7	0	0	112.5	R956 L960 L972 S973 T978 L979 V980	R956-E976 IonicContact CZ-OE1 2.68Å; R956-E976 IonicContact NH2-OE1 3.8Å; R956-E976 PolarHBondContact NH2-OE1 3.35Å; L960-E976 HydrophobicContact CD1-CB 3.9Å; L960-E976 HydrophobicContact CD1-CG 4.04Å; L960-E976 HydrophobicContact CD2-CG 4.28Å; L972-E976 HydrophobicContact CB-CB 4.11Å; L972-E976 HydrophobicContact CD1-CB 4.42Å; L972-E976 HydrophobicContact CD2-CB 4.45Å; S973-E976 WeakPolarHBondContact CB-OE2 3.43Å; S973-E976 PolarHBondContact N-OE2 3.28Å; S973-E976 PolarHBondContact O-N 3.18Å; S973-E976 VanDerWaalsContact O-N 3.13Å; S973-E976 WeakPolarHBondContact OG-CB 3.36Å; S973-E976 VanDerWaalsContact OG-CD 3.27Å; S973-E976 VanDerWaalsContact OG-CG 3.22Å; S973-E976 WeakPolarHBondContact OG-CG 3.27Å; S973-E976 PolarHBondContact OG-N 2.84Å; S973-E976 PolarHBondContact OG-OE2 3.01Å; E976-T978 VanDerWaalsContact C-N 3.33Å; E976-L979 PolarHBondContact O-N 3.43Å; E976-V980 WeakPolarHBondContact O-CB 3.2Å; E976-V980 WeakPolarHBondContact O-CG2 3.46Å; E976-V980 PolarHBondContact O-N 3.44Å
977	K	91.9	Very high	91.4	Very high	62 Å²	62	58.6 Å²	58.6	27%	0.27	30%	0.3	S	S	.	.	H	α-helix	trans	-60.5	-43.2	170.4	-73.8	163	175	143.6	0	111.2	M969 D970 L972 S973 D974 V980 G981	M969-K977 WeakPolarHBondContact O-CE 3.34Å; D970-K977 WeakPolarHBondContact O-CE 3.27Å; D970-K977 PolarHBondContact O-NZ 3.4Å; L972-K977 HydrophobicContact CB-CG 3.91Å; L972-K977 WeakPolarHBondContact O-CE 3.32Å; L972-K977 PolarHBondContact O-NZ 3.1Å; S973-K977 WeakPolarHBondContact O-CG 3.41Å; S973-K977 PolarHBondContact O-N 2.77Å; D974-K977 IonicContact OD1-NZ 2.78Å; K977-V980 PolarHBondContact O-N 3.3Å; K977-G981 PolarHBondContact O-N 3.34Å
978	T	92.8	Very high	91.8	Very high	64 Å²	64	54.3 Å²	54.3	39%	0.393	28%	0.276	S	S	.	.	H	α-helix	trans	-63.8	-45.6	175.2	-55.8	0	0	0	0	111.2	D974 E975 E976 V980 G981 R982	D974-T978 WeakPolarHBondContact O-CB 3.49Å; D974-T978 PolarHBondContact O-N 2.86Å; D974-T978 PolarHBondContact O-OG1 3.31Å; E975-T978 WeakPolarHBondContact O-CB 3.21Å; E975-T978 PolarHBondContact O-N 2.94Å; E976-T978 VanDerWaalsContact C-N 3.33Å; T978-V980 PolarHBondContact O-N 2.81Å; T978-G981 PolarHBondContact O-N 2.92Å; T978-R982 PolarHBondContact O-N 3.07Å
979	L	93.3	Very high	92.3	Very high	31 Å²	31	53 Å²	53	16%	0.162	26%	0.263	C	S	.	.	H	α-helix	trans	-61.6	-43.5	177	-173.1	152.6	0	0	0	111.8	V953 R956 L960 E975 E976 G981 R982 A983	V953-L979 HydrophobicContact CG1-CD2 4.42Å; V953-L979 HydrophobicContact CG1-CG 4.33Å; R956-L979 HydrophobicContact CB-CD1 4.14Å; R956-L979 HydrophobicContact CB-CD2 4.01Å; R956-L979 HydrophobicContact CG-CD1 3.72Å; R956-L979 HydrophobicContact CG-CD2 3.84Å; R956-L979 HydrophobicContact CG-CG 4.49Å; L960-L979 HydrophobicContact CD1-CD2 4.11Å; E975-L979 WeakPolarHBondContact O-CB 3.31Å; E975-L979 PolarHBondContact O-N 2.94Å; E976-L979 PolarHBondContact O-N 3.43Å; L979-G981 VanDerWaalsContact C-N 3.35Å; L979-R982 PolarHBondContact O-N 3.26Å; L979-A983 VanDerWaalsContact O-CB 3.22Å; L979-A983 WeakPolarHBondContact O-CB 3.22Å; L979-A983 PolarHBondContact O-N 2.88Å
980	V	93.8	Very high	92.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-62.4	-41.7	175.5	170	0	0	0	0	111.1	Y957 L960 I964 M969 L972 E976 K977 T978 A983 R984	Y957-V980 HydrophobicContact CD2-CB 4.45Å; Y957-V980 HydrophobicContact CD2-CG1 4.15Å; Y957-V980 HydrophobicContact CD2-CG2 4.07Å; Y957-V980 HydrophobicContact CE2-CG1 3.9Å; L960-V980 HydrophobicContact CB-CG2 4.2Å; L960-V980 HydrophobicContact CD1-CG2 3.69Å; I964-V980 HydrophobicContact CD1-CG1 4.19Å; I964-V980 HydrophobicContact CD1-CG2 4.01Å; M969-V980 HydrophobicContact CE-CB 4.17Å; M969-V980 HydrophobicContact CE-CG1 3.64Å; M969-V980 HydrophobicContact SD-CG1 4.48Å; L972-V980 HydrophobicContact CD1-CG2 3.96Å; E976-V980 WeakPolarHBondContact O-CB 3.2Å; E976-V980 WeakPolarHBondContact O-CG2 3.46Å; E976-V980 PolarHBondContact O-N 3.44Å; K977-V980 PolarHBondContact O-N 3.3Å; T978-V980 PolarHBondContact O-N 2.81Å; V980-A983 PolarHBondContact O-N 2.86Å; V980-R984 WeakPolarHBondContact O-CG 3.33Å; V980-R984 PolarHBondContact O-N 3.44Å
981	G	93.3	Very high	92.9	Very high	10 Å²	10	43.8 Å²	43.8	10%	0.103	22%	0.215	C	C	.	.	H	α-helix	trans	-59.3	-51.5	174.1	0	0	0	0	0	112.3	K977 T978 L979 A983 R984 R985	K977-G981 PolarHBondContact O-N 3.34Å; T978-G981 PolarHBondContact O-N 2.92Å; L979-G981 VanDerWaalsContact C-N 3.35Å; G981-A983 PolarHBondContact O-N 3.23Å; G981-R984 PolarHBondContact O-N 3.43Å; G981-R985 WeakPolarHBondContact O-CG 3.49Å; G981-R985 PolarHBondContact O-N 2.74Å
982	R	94.8	Very high	93.2	Very high	68 Å²	68	37.1 Å²	37.1	26%	0.257	18%	0.184	S	C	.	.	H	α-helix	trans	-60.2	-43.8	175	-71.1	-174.7	-170.5	170.6	11	112.1	T978 L979 R984 R985 I986 L1021 D1026	T978-R982 PolarHBondContact O-N 3.07Å; L979-R982 PolarHBondContact O-N 3.26Å; R982-R984 VanDerWaalsContact C-N 3.33Å; R982-R984 PolarHBondContact O-N 3.05Å; R982-R985 WeakPolarHBondContact O-CB 3.45Å; R982-R985 PolarHBondContact O-N 2.93Å; R982-I986 WeakPolarHBondContact O-CB 3.29Å; R982-I986 WeakPolarHBondContact O-CG1 3.22Å; R982-I986 PolarHBondContact O-N 2.77Å; R982-L1021 PolarHBondContact NH1-O 3.35Å; R982-D1026 VanDerWaalsContact CG-OD1 3.26Å; R982-D1026 WeakPolarHBondContact CG-OD1 3.49Å; R982-D1026 IonicContact CZ-OD2 3.37Å; R982-D1026 IonicContact NE-OD1 3.62Å; R982-D1026 IonicContact NE-OD2 2.73Å; R982-D1026 PolarHBondContact NE-OD2 3.43Å; R982-D1026 IonicContact NH2-OD2 3.49Å; R982-D1026 PolarHBondContact NH2-OD2 2.92Å
983	A	94.5	Very high	93.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.6	-36.2	-179.5	0	0	0	0	0	113.1	V953 Y957 L979 V980 G981 Q987	V953-A983 HydrophobicContact CG1-CB 3.69Å; Y957-A983 HydrophobicContact CD1-CB 3.6Å; Y957-A983 HydrophobicContact CD2-CB 4.34Å; Y957-A983 HydrophobicContact CE1-CB 4.48Å; Y957-A983 HydrophobicContact CG-CB 3.51Å; L979-A983 VanDerWaalsContact O-CB 3.22Å; L979-A983 WeakPolarHBondContact O-CB 3.22Å; L979-A983 PolarHBondContact O-N 2.88Å; V980-A983 PolarHBondContact O-N 2.86Å; G981-A983 PolarHBondContact O-N 3.23Å; A983-Q987 WeakPolarHBondContact O-CB 3.39Å; A983-Q987 PolarHBondContact O-N 2.97Å
984	R	93.5	Very high	93.6	Very high	56 Å²	56	35.4 Å²	35.4	21%	0.211	17%	0.17	C	C	.	.	H	α-helix	trans	-69.8	-42.4	172.2	-69.9	176.6	-171.8	170.6	0.7	112.2	Y957 M969 V980 G981 R982 I986 Q987 F988 E1030	Y957-R984 HydrophobicContact CE1-CG 4.13Å; Y957-R984 HydrophobicContact CE2-CG 4.4Å; M969-R984 PolarHBondContact SD-NH2 2.85Å; V980-R984 WeakPolarHBondContact O-CG 3.33Å; V980-R984 PolarHBondContact O-N 3.44Å; G981-R984 PolarHBondContact O-N 3.43Å; R982-R984 VanDerWaalsContact C-N 3.33Å; R982-R984 PolarHBondContact O-N 3.05Å; R984-I986 VanDerWaalsContact C-N 3.34Å; R984-I986 PolarHBondContact O-N 3.3Å; R984-Q987 PolarHBondContact O-N 3.19Å; R984-F988 WeakPolarHBondContact O-CD2 3.18Å; R984-F988 PolarHBondContact O-N 3.45Å; R984-E1030 HydrophobicContact CB-CG 4.37Å; R984-E1030 WeakPolarHBondContact CD-OE1 3.37Å; R984-E1030 WeakPolarHBondContact CD-OE2 3.43Å; R984-E1030 IonicContact CZ-OE1 3.23Å; R984-E1030 IonicContact NE-OE1 2.78Å; R984-E1030 IonicContact NH1-OE1 2.68Å; R984-E1030 PolarHBondContact NH1-OE1 3.43Å; R984-E1030 IonicContact NH1-OE2 2.79Å
985	R	95.7	Very high	93.5	Very high	30 Å²	30	31.6 Å²	31.6	11%	0.113	15%	0.15	C	C	.	.	H	α-helix	trans	-58.4	-45.2	173.2	-69.5	175.2	175.9	115.7	8	111.4	G981 R982 F988 F989 I1020 Y1025 D1026 L1028 F1033	G981-R985 WeakPolarHBondContact O-CG 3.49Å; G981-R985 PolarHBondContact O-N 2.74Å; R982-R985 WeakPolarHBondContact O-CB 3.45Å; R982-R985 PolarHBondContact O-N 2.93Å; R985-F988 PolarHBondContact O-N 2.63Å; R985-F989 VanDerWaalsContact O-CB 3.25Å; R985-F989 WeakPolarHBondContact O-CB 3.34Å; R985-F989 PolarHBondContact O-N 3.38Å; R985-I1020 HydrophobicContact CB-CG2 4.2Å; R985-Y1025 PolarHBondContact NE-O 3.29Å; R985-D1026 IonicContact CZ-OD1 2.68Å; R985-D1026 PolarHBondContact NH1-O 3.44Å; R985-D1026 IonicContact NH1-OD1 2.71Å; R985-D1026 PolarHBondContact NH1-OD1 2.92Å; R985-D1026 PolarHBondContact NH2-O 3.22Å; R985-L1028 PolarHBondContact NE-O 3.29Å; R985-L1028 PolarHBondContact NH2-O 2.96Å; R985-F1033 HydrophobicContact CB-CD1 4.22Å; R985-F1033 HydrophobicContact CB-CD2 4.02Å; R985-F1033 HydrophobicContact CB-CE1 4.2Å; R985-F1033 HydrophobicContact CB-CE2 4.01Å; R985-F1033 HydrophobicContact CB-CG 4.12Å; R985-F1033 HydrophobicContact CB-CZ 4.08Å; R985-F1033 HydrophobicContact CG-CD2 3.76Å; R985-F1033 HydrophobicContact CG-CE2 3.51Å; R985-F1033 HydrophobicContact CG-CG 4.37Å; R985-F1033 HydrophobicContact CG-CZ 3.92Å
986	I	96	Very high	93.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.6	-49.3	173.6	-70.5	166.5	0	0	0	110.7	V950 V953 L954 R982 R984 F988 F989 L990 F1017 I1020 L1021	V950-I986 HydrophobicContact CG1-CG2 3.78Å; V950-I986 HydrophobicContact CG2-CD1 4.4Å; V950-I986 HydrophobicContact CG2-CG2 4.35Å; V953-I986 HydrophobicContact CB-CD1 4.37Å; V953-I986 HydrophobicContact CG1-CD1 3.85Å; L954-I986 HydrophobicContact CD1-CG2 3.82Å; L954-I986 HydrophobicContact CD2-CB 4.5Å; L954-I986 HydrophobicContact CD2-CG2 3.94Å; L954-I986 HydrophobicContact CG-CG2 3.95Å; R982-I986 WeakPolarHBondContact O-CB 3.29Å; R982-I986 WeakPolarHBondContact O-CG1 3.22Å; R982-I986 PolarHBondContact O-N 2.77Å; R984-I986 VanDerWaalsContact C-N 3.34Å; R984-I986 PolarHBondContact O-N 3.3Å; I986-F988 VanDerWaalsContact C-N 3.28Å; I986-F988 PolarHBondContact O-N 2.8Å; I986-F989 CarbonylContact O-C 3.58Å; I986-F989 PolarHBondContact O-N 3.37Å; I986-F989 VanDerWaalsContact O-N 3.09Å; I986-L990 HydrophobicContact CG2-CD1 4.25Å; I986-L990 WeakPolarHBondContact O-CG 3.26Å; I986-L990 PolarHBondContact O-N 2.91Å; I986-F1017 HydrophobicContact CB-CE1 4.43Å; I986-F1017 HydrophobicContact CG1-CD1 4.33Å; I986-F1017 HydrophobicContact CG2-CD1 4.17Å; I986-F1017 HydrophobicContact CG2-CE1 3.9Å; I986-I1020 HydrophobicContact CD1-CG2 4.34Å; I986-I1020 HydrophobicContact CG1-CG2 3.73Å; I986-L1021 HydrophobicContact CD1-CD2 3.79Å; I986-L1021 HydrophobicContact CD1-CG 4.47Å
987	Q	94	Very high	92.9	Very high	27 Å²	27	22.8 Å²	22.8	13%	0.126	11%	0.112	C	C	.	.	H	α-helix	trans	-60.9	-34.8	180	173.1	162.5	83.3	0	0	112.8	I920 L954 A983 R984	I920-Q987 HydrophobicContact CD1-CG 3.64Å; L954-Q987 HydrophobicContact CD2-CB 4.15Å; A983-Q987 WeakPolarHBondContact O-CB 3.39Å; A983-Q987 PolarHBondContact O-N 2.97Å; R984-Q987 PolarHBondContact O-N 3.19Å
988	F	95.1	Very high	92.5	Very high	20 Å²	20	24.2 Å²	24.2	9%	0.088	12%	0.12	C	C	.	.	H	α-helix	trans	-77.2	-40.3	169.7	-66.3	-41.9	0	0	0	112.2	I920 R984 R985 I986 L990 S991 E1030 F1033 R1034	I920-F988 HydrophobicContact CD1-CD1 4.08Å; I920-F988 HydrophobicContact CD1-CE1 4.05Å; I920-F988 HydrophobicContact CG1-CD1 4.07Å; I920-F988 HydrophobicContact CG1-CE1 4.17Å; R984-F988 WeakPolarHBondContact O-CD2 3.18Å; R984-F988 PolarHBondContact O-N 3.45Å; R985-F988 PolarHBondContact O-N 2.63Å; I986-F988 VanDerWaalsContact C-N 3.28Å; I986-F988 PolarHBondContact O-N 2.8Å; F988-L990 PolarHBondContact O-N 2.76Å; F988-S991 WeakPolarHBondContact O-CA 3.42Å; F988-S991 WeakPolarHBondContact O-CB 3.47Å; F988-S991 PolarHBondContact O-N 3.17Å; F988-S991 PolarHBondContact O-OG 2.89Å; F988-E1030 HydrophobicContact CD2-CB 3.97Å; F988-E1030 WeakPolarHBondContact CD2-O 3.47Å; F988-E1030 HydrophobicContact CE2-CB 3.91Å; F988-F1033 CarbonylContact C-O 3.52Å; F988-F1033 HydrophobicContact CB-CB 3.9Å; F988-R1034 HydrophobicContact CB-CB 4.17Å; F988-R1034 HydrophobicContact CD1-CB 4.4Å; F988-R1034 HydrophobicContact CD1-CG 4.37Å; F988-R1034 HydrophobicContact CG-CB 4.31Å
989	F	96	Very high	91.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-68.1	-16.1	178.8	-164.4	-122.7	0	0	0	113.8	K720 R985 I986 S991 F1017 I1020 F1033 V1036 I1039 V1042	K720-F989 HydrophobicContact CD-CD1 4.37Å; K720-F989 HydrophobicContact CD-CE1 3.86Å; K720-F989 HydrophobicContact CD-CE2 4.21Å; K720-F989 HydrophobicContact CD-CZ 3.77Å; K720-F989 WeakPolarHBondContact CE-O 3.47Å; R985-F989 VanDerWaalsContact O-CB 3.25Å; R985-F989 WeakPolarHBondContact O-CB 3.34Å; R985-F989 PolarHBondContact O-N 3.38Å; I986-F989 CarbonylContact O-C 3.58Å; I986-F989 PolarHBondContact O-N 3.37Å; I986-F989 VanDerWaalsContact O-N 3.09Å; F989-S991 PolarHBondContact O-N 2.78Å; F989-F1017 HydrophobicContact CB-CE1 4.16Å; F989-F1017 HydrophobicContact CB-CZ 4.19Å; F989-F1017 HydrophobicContact CD1-CD1 4.04Å; F989-F1017 AromaticContact CD1-CD2 3.96Å; F989-F1017 HydrophobicContact CD1-CD2 3.96Å; F989-F1017 AromaticContact CD1-CE1 3.67Å; F989-F1017 HydrophobicContact CD1-CE1 3.67Å; F989-F1017 AromaticContact CD1-CE2 3.59Å; F989-F1017 HydrophobicContact CD1-CE2 3.59Å; F989-F1017 HydrophobicContact CD1-CG 4.18Å; F989-F1017 AromaticContact CD1-CZ 3.42Å; F989-F1017 HydrophobicContact CD1-CZ 3.42Å; F989-F1017 VanDerWaalsContact CD1-CZ 3.42Å; F989-F1017 AromaticContact CE1-CD2 4Å; F989-F1017 HydrophobicContact CE1-CD2 4Å; F989-F1017 AromaticContact CE1-CE2 3.83Å; F989-F1017 HydrophobicContact CE1-CE2 3.83Å; F989-F1017 HydrophobicContact CE1-CG 4.46Å; F989-F1017 HydrophobicContact CE1-CZ 4.15Å; F989-F1017 HydrophobicContact CG-CE1 4.39Å; F989-F1017 HydrophobicContact CG-CZ 4.15Å; F989-I1020 HydrophobicContact CB-CD1 3.92Å; F989-I1020 HydrophobicContact CD1-CD1 3.48Å; F989-I1020 VanDerWaalsContact CD1-CD1 3.48Å; F989-I1020 HydrophobicContact CE1-CD1 4.16Å; F989-I1020 HydrophobicContact CG-CD1 3.75Å; F989-F1033 WeakPolarHBondContact CA-O 3.41Å; F989-F1033 HydrophobicContact CB-CB 4.16Å; F989-F1033 HydrophobicContact CB-CD1 4.07Å; F989-F1033 HydrophobicContact CD2-CD1 4.3Å; F989-F1033 HydrophobicContact CG-CD1 4.33Å; F989-F1033 PolarHBondContact N-O 3.34Å; F989-V1036 HydrophobicContact CD2-CG2 3.95Å; F989-V1036 HydrophobicContact CE2-CG2 4.08Å; F989-I1039 HydrophobicContact CE1-CD1 4.25Å; F989-I1039 HydrophobicContact CE2-CD1 4.08Å; F989-I1039 HydrophobicContact CZ-CB 4.07Å; F989-I1039 HydrophobicContact CZ-CD1 3.93Å; F989-V1042 HydrophobicContact CD2-CG2 3.9Å; F989-V1042 HydrophobicContact CE2-CG2 3.87Å
990	L	94.4	Very high	91.1	Very high	7 Å²	7	33.9 Å²	33.9	4%	0.037	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-15.9	167.4	-72.4	167.3	0	0	0	113	V721 L725 P926 L954 I986 F988 F1017	V721-L990 HydrophobicContact CB-CB 4.21Å; V721-L990 HydrophobicContact CB-CD2 3.75Å; V721-L990 HydrophobicContact CG2-CB 4.5Å; V721-L990 HydrophobicContact CG2-CD2 3.95Å; L725-L990 HydrophobicContact CD1-CD1 4.38Å; L725-L990 HydrophobicContact CD1-CD2 3.99Å; P926-L990 HydrophobicContact CB-CD1 3.82Å; P926-L990 HydrophobicContact CG-CD1 3.91Å; L954-L990 HydrophobicContact CD1-CD1 3.88Å; I986-L990 HydrophobicContact CG2-CD1 4.25Å; I986-L990 WeakPolarHBondContact O-CG 3.26Å; I986-L990 PolarHBondContact O-N 2.91Å; F988-L990 PolarHBondContact O-N 2.76Å; L990-F1017 HydrophobicContact CB-CZ 4.5Å; L990-F1017 HydrophobicContact CD2-CE1 3.89Å; L990-F1017 HydrophobicContact CD2-CE2 4.22Å; L990-F1017 HydrophobicContact CD2-CZ 3.45Å; L990-F1017 VanDerWaalsContact CD2-CZ 3.45Å; L990-F1017 HydrophobicContact CG-CE1 3.9Å; L990-F1017 HydrophobicContact CG-CZ 3.73Å
991	S	93.6	Very high	90.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.178	C	C	.	.			trans	-83.2	155.2	170.6	68.9	0	0	0	0	112.6	Y921 F988 F989 N1035	Y921-S991 CarbonylContact O-C 3.6Å; Y921-S991 WeakPolarHBondContact O-CA 3.15Å; Y921-S991 WeakPolarHBondContact O-CB 3.36Å; F988-S991 WeakPolarHBondContact O-CA 3.42Å; F988-S991 WeakPolarHBondContact O-CB 3.47Å; F988-S991 PolarHBondContact O-N 3.17Å; F988-S991 PolarHBondContact O-OG 2.89Å; F989-S991 PolarHBondContact O-N 2.78Å; S991-N1035 WeakPolarHBondContact CB-OD1 3.33Å; S991-N1035 PolarHBondContact OG-N 3.48Å; S991-N1035 PolarHBondContact OG-OD1 3.35Å
992	Q	93.6	Very high	90	Very high	5 Å²	5	40 Å²	40	2%	0.023	21%	0.206	C	C	.	.			trans	-149.2	142	-170.4	-169.7	161.1	-44.4	0	0	111.4	G718 K720 Y921 F994 S1006	G718-Q992 PolarHBondContact O-NE2 3.44Å; K720-Q992 VanDerWaalsContact N-OE1 3.08Å; Y921-Q992 PolarHBondContact O-N 2.86Å; Q992-F994 HydrophobicContact CB-CD1 4.16Å; Q992-F994 HydrophobicContact CB-CE1 3.98Å; Q992-F994 HydrophobicContact CG-CD1 4.23Å; Q992-F994 HydrophobicContact CG-CE1 4.29Å; Q992-F994 PolarHBondContact O-N 3.38Å; Q992-S1006 PolarHBondContact NE2-O 3.21Å
993	N	93.1	Very high	89.5	Confident	19 Å²	19	41.3 Å²	41.3	10%	0.102	22%	0.216	C	C	.	.			trans	-70.7	116.4	165.5	51.6	-40.5	0	0	0	109.4	P1004 G1005 S1006 V1036 G1037	N993-P1004 PolarHBondContact ND2-O 3.24Å; N993-G1005 CarbonylContact O-C 3.45Å; N993-G1005 WeakPolarHBondContact O-CA 3.03Å; N993-S1006 PolarHBondContact ND2-N 2.93Å; N993-S1006 PolarHBondContact ND2-OG 3.14Å; N993-S1006 PolarHBondContact O-N 3.13Å; N993-V1036 WeakPolarHBondContact OD1-CA 3.25Å; N993-V1036 PolarHBondContact OD1-O 3.03Å; N993-G1037 PolarHBondContact OD1-N 3.46Å
994	F	92.2	Very high	89.1	Confident	8 Å²	8	45.1 Å²	45.1	4%	0.035	24%	0.241	C	C	.	.			trans	-95.7	139.1	179.8	-79.3	5.9	0	0	0	111.3	I719 V746 L747 E750 P922 Q992 A997 E998	I719-F994 HydrophobicContact CD1-CE1 4.17Å; I719-F994 HydrophobicContact CD1-CZ 3.86Å; I719-F994 HydrophobicContact CG1-CE1 4.15Å; I719-F994 HydrophobicContact CG1-CZ 4.31Å; I719-F994 HydrophobicContact CG2-CE1 4.12Å; I719-F994 HydrophobicContact CG2-CZ 4.1Å; V746-F994 HydrophobicContact CG1-CD2 3.82Å; V746-F994 HydrophobicContact CG1-CE2 4.41Å; L747-F994 HydrophobicContact CD1-CE2 3.98Å; L747-F994 HydrophobicContact CD1-CZ 3.85Å; E750-F994 HydrophobicContact CB-CB 4.41Å; E750-F994 HydrophobicContact CB-CD1 4.44Å; E750-F994 HydrophobicContact CB-CD2 3.51Å; E750-F994 HydrophobicContact CB-CE2 3.73Å; E750-F994 HydrophobicContact CB-CG 3.91Å; E750-F994 HydrophobicContact CB-CZ 4.24Å; E750-F994 HydrophobicContact CG-CB 4.02Å; E750-F994 HydrophobicContact CG-CD1 3.71Å; E750-F994 HydrophobicContact CG-CD2 3.71Å; E750-F994 HydrophobicContact CG-CE1 3.98Å; E750-F994 HydrophobicContact CG-CE2 4.02Å; E750-F994 HydrophobicContact CG-CG 3.55Å; E750-F994 HydrophobicContact CG-CZ 4.12Å; E750-F994 VanDerWaalsContact OE1-CA 3.28Å; E750-F994 WeakPolarHBondContact OE1-CA 3.49Å; E750-F994 WeakPolarHBondContact OE2-CB 3.37Å; P922-F994 HydrophobicContact CB-CE2 4.07Å; P922-F994 HydrophobicContact CB-CZ 3.71Å; P922-F994 HydrophobicContact CG-CE1 4.22Å; P922-F994 HydrophobicContact CG-CE2 4.46Å; P922-F994 HydrophobicContact CG-CZ 3.62Å; Q992-F994 HydrophobicContact CB-CD1 4.16Å; Q992-F994 HydrophobicContact CB-CE1 3.98Å; Q992-F994 HydrophobicContact CG-CD1 4.23Å; Q992-F994 HydrophobicContact CG-CE1 4.29Å; Q992-F994 PolarHBondContact O-N 3.38Å; F994-A997 HydrophobicContact CB-CB 3.86Å; F994-A997 CarbonylContact O-C 3.54Å; F994-A997 WeakPolarHBondContact O-CA 3.42Å; F994-A997 WeakPolarHBondContact O-CB 3.42Å; F994-A997 PolarHBondContact O-N 2.61Å; F994-E998 PolarHBondContact O-N 2.77Å
995	N	88.1	Confident	88.9	Confident	44 Å²	44	43 Å²	43	24%	0.235	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-60.9	-46	178.7	-63.7	-80.3	0	0	0	110.9	E750 A997 E998 G1005	E750-N995 PolarHBondContact OE1-N 3.12Å; E750-N995 PolarHBondContact OE1-ND2 2.82Å; E750-N995 PolarHBondContact OE2-N 3.1Å; N995-A997 PolarHBondContact O-N 3.47Å; N995-A997 VanDerWaalsContact O-N 3.13Å; N995-E998 WeakPolarHBondContact O-CB 3.47Å; N995-E998 PolarHBondContact O-N 3.18Å; N995-E998 VanDerWaalsContact O-N 3.1Å; N995-G1005 WeakPolarHBondContact OD1-CA 3.47Å
996	V	85.1	Confident	88.7	Confident	12 Å²	12	42.8 Å²	42.8	7%	0.073	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-67.7	-13.8	177.5	-53.2	0	0	0	0	112.9	V746 Q749 E750 H753 V787	V746-V996 HydrophobicContact CG1-CG2 4.3Å; Q749-V996 HydrophobicContact CB-CB 4.11Å; Q749-V996 HydrophobicContact CB-CG1 4.03Å; Q749-V996 HydrophobicContact CB-CG2 3.78Å; E750-V996 HydrophobicContact CB-CG2 4.11Å; E750-V996 WeakPolarHBondContact OE2-CG2 3.15Å; E750-V996 PolarHBondContact OE2-N 3.16Å; H753-V996 HydrophobicContact CB-CG1 3.9Å; V787-V996 HydrophobicContact CG1-CG1 4.46Å
997	A	85.5	Confident	88.6	Confident	15 Å²	15	44.9 Å²	44.9	12%	0.124	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-96.7	-0.8	176	0	0	0	0	0	113.9	F994 N995 Q999 F1000 T1001	F994-A997 HydrophobicContact CB-CB 3.86Å; F994-A997 CarbonylContact O-C 3.54Å; F994-A997 WeakPolarHBondContact O-CA 3.42Å; F994-A997 WeakPolarHBondContact O-CB 3.42Å; F994-A997 PolarHBondContact O-N 2.61Å; N995-A997 PolarHBondContact O-N 3.47Å; N995-A997 VanDerWaalsContact O-N 3.13Å; A997-Q999 VanDerWaalsContact C-N 3.29Å; A997-Q999 PolarHBondContact O-N 2.66Å; A997-F1000 PolarHBondContact O-N 2.85Å; A997-F1000 VanDerWaalsContact O-N 3.1Å; A997-T1001 HydrophobicContact CB-CG2 4.16Å; A997-T1001 WeakPolarHBondContact O-CB 3.32Å; A997-T1001 WeakPolarHBondContact O-CG2 3.04Å; A997-T1001 PolarHBondContact O-N 2.82Å; A997-T1001 PolarHBondContact O-OG1 2.93Å
998	E	85	Confident	88.6	Confident	93 Å²	93	43.6 Å²	43.6	44%	0.435	24%	0.242	S	C	.	.	H	α-helix	trans	-57.5	-41.9	-178.2	176.7	169	-171.3	0	0	111.7	F994 N995 F1000 T1001 G1002 M1003	F994-E998 PolarHBondContact O-N 2.77Å; N995-E998 WeakPolarHBondContact O-CB 3.47Å; N995-E998 PolarHBondContact O-N 3.18Å; N995-E998 VanDerWaalsContact O-N 3.1Å; E998-F1000 PolarHBondContact O-N 2.98Å; E998-T1001 PolarHBondContact O-N 3.44Å; E998-G1002 WeakPolarHBondContact O-CA 3.37Å; E998-G1002 PolarHBondContact O-N 3.02Å; E998-M1003 WeakPolarHBondContact CA-O 3.25Å; E998-M1003 WeakPolarHBondContact CB-O 3.49Å; E998-M1003 WeakPolarHBondContact CG-O 3.4Å
999	Q	76.9	Confident	88.5	Confident	129 Å²	129	44.9 Å²	44.9	60%	0.603	25%	0.253	S	S	*	.	H	α-helix	trans	-61.1	-28.6	-180	-56.5	-170.2	23.1	0	0	113.4	E784 A997	E784-Q999 PolarHBondContact O-NE2 3.11Å; A997-Q999 VanDerWaalsContact C-N 3.29Å; A997-Q999 PolarHBondContact O-N 2.66Å
1000	F	78.8	Confident	88.4	Confident	169 Å²	169	46.2 Å²	46.2	74%	0.741	26%	0.26	S	S	*	.	H	α-helix	trans	-96.8	-27	-178.9	-57.8	-76.2	0	0	0	113.4	A997 E998	A997-F1000 PolarHBondContact O-N 2.85Å; A997-F1000 VanDerWaalsContact O-N 3.1Å; E998-F1000 PolarHBondContact O-N 2.98Å
1001	T	82.1	Confident	88.3	Confident	71 Å²	71	49.3 Å²	49.3	44%	0.436	29%	0.287	S	S	.	.	H	α-helix	trans	-99.6	-23.6	-175.4	58.7	0	0	0	0	113.6	A997 E998 M1003	A997-T1001 HydrophobicContact CB-CG2 4.16Å; A997-T1001 WeakPolarHBondContact O-CB 3.32Å; A997-T1001 WeakPolarHBondContact O-CG2 3.04Å; A997-T1001 PolarHBondContact O-N 2.82Å; A997-T1001 PolarHBondContact O-OG1 2.93Å; E998-T1001 PolarHBondContact O-N 3.44Å; T1001-M1003 PolarHBondContact O-N 2.88Å; T1001-M1003 PolarHBondContact OG1-N 2.84Å; T1001-M1003 PolarHBondContact OG1-O 2.71Å
1002	G	82.2	Confident	88.4	Confident	67 Å²	67	52.3 Å²	52.3	69%	0.691	30%	0.301	S	S	*	.	S	Bend	trans	67.4	18.6	-170.2	0	0	0	0	0	113.7	E998	E998-G1002 WeakPolarHBondContact O-CA 3.37Å; E998-G1002 PolarHBondContact O-N 3.02Å
1003	M	83.7	Confident	88.5	Confident	96 Å²	96	52.1 Å²	52.1	47%	0.473	30%	0.3	S	S	.	.	S	Bend	trans	-124	129.1	178.5	-60.1	-175.8	-175.4	0	0	108.8	E998 T1001	E998-M1003 WeakPolarHBondContact CA-O 3.25Å; E998-M1003 WeakPolarHBondContact CB-O 3.49Å; E998-M1003 WeakPolarHBondContact CG-O 3.4Å; T1001-M1003 PolarHBondContact O-N 2.88Å; T1001-M1003 PolarHBondContact OG1-N 2.84Å; T1001-M1003 PolarHBondContact OG1-O 2.71Å
1004	P	86.8	Confident	88.6	Confident	79 Å²	79	51.8 Å²	51.8	51%	0.513	30%	0.299	S	S	.	.			trans	-61.4	150.6	174	28.4	-35.3	0	0	0	110.1	N993	N993-P1004 PolarHBondContact ND2-O 3.24Å
1005	G	89.4	Confident	88.8	Confident	12 Å²	12	55 Å²	55	12%	0.124	31%	0.311	C	S	.	.			trans	-71.1	174.2	176.5	0	0	0	0	0	113.4	N993 N995	N993-G1005 CarbonylContact O-C 3.45Å; N993-G1005 WeakPolarHBondContact O-CA 3.03Å; N995-G1005 WeakPolarHBondContact OD1-CA 3.47Å
1006	S	91.9	Very high	89.2	Confident	26 Å²	26	52.9 Å²	52.9	18%	0.182	30%	0.299	C	S	.	.			trans	-144.5	122.8	170.7	-66.1	0	0	0	0	110.3	Q992 N993	Q992-S1006 PolarHBondContact NE2-O 3.21Å; N993-S1006 PolarHBondContact ND2-N 2.93Å; N993-S1006 PolarHBondContact ND2-OG 3.14Å; N993-S1006 PolarHBondContact O-N 3.13Å
1007	Y	92.2	Very high	89.7	Confident	43 Å²	43	52.3 Å²	52.3	17%	0.169	30%	0.296	C	S	.	.			trans	-76	134.3	161.1	-174.9	-84.1	0	0	0	108.6	E716 G718 N754 E758 P1009	E716-Y1007 VanDerWaalsContact CG-OH 3.3Å; E716-Y1007 WeakPolarHBondContact CG-OH 3.44Å; E716-Y1007 WeakPolarHBondContact OE1-CE1 3.41Å; E716-Y1007 PolarHBondContact OE1-OH 2.84Å; G718-Y1007 VanDerWaalsContact CA-CE2 3.48Å; N754-Y1007 HydrophobicContact CB-CD2 3.74Å; N754-Y1007 HydrophobicContact CB-CE2 3.88Å; E758-Y1007 HydrophobicContact CB-CD2 4.46Å; E758-Y1007 HydrophobicContact CB-CE2 3.95Å; E758-Y1007 HydrophobicContact CG-CD1 4.12Å; E758-Y1007 HydrophobicContact CG-CD2 3.59Å; E758-Y1007 HydrophobicContact CG-CE1 4.13Å; E758-Y1007 HydrophobicContact CG-CE2 3.58Å; E758-Y1007 HydrophobicContact CG-CG 3.87Å; Y1007-P1009 HydrophobicContact CD1-CG 4.14Å; Y1007-P1009 HydrophobicContact CE1-CB 4.48Å; Y1007-P1009 HydrophobicContact CE1-CG 3.99Å
1008	V	94.1	Very high	90.2	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.305	C	S	.	.			trans	-126.3	105.2	-179.7	-168.6	0	0	0	0	109.5	G718 K720 E1012 T1013 G1037 P1038	G718-V1008 CarbonylContact C-O 3.55Å; G718-V1008 WeakPolarHBondContact CA-O 3.24Å; G718-V1008 PolarHBondContact O-N 2.7Å; K720-V1008 HydrophobicContact CD-CG1 4.22Å; K720-V1008 HydrophobicContact CD-CG2 4.46Å; K720-V1008 HydrophobicContact CG-CB 3.98Å; K720-V1008 HydrophobicContact CG-CG1 3.94Å; K720-V1008 HydrophobicContact CG-CG2 4.22Å; V1008-E1012 HydrophobicContact CG1-CB 3.97Å; V1008-T1013 WeakPolarHBondContact CG1-OG1 3.42Å; V1008-T1013 PolarHBondContact O-OG1 2.89Å; V1008-G1037 VanDerWaalsContact CG2-C 3.45Å; V1008-P1038 HydrophobicContact CG1-CB 4.46Å
1009	P	93.8	Very high	90.8	Very high	48 Å²	48	52 Å²	52	31%	0.312	29%	0.291	S	S	.	.			trans	-57.1	156	178.2	-24.2	33.1	0	0	0	112.7	Y1007 A1011 E1012 T1013	Y1007-P1009 HydrophobicContact CD1-CG 4.14Å; Y1007-P1009 HydrophobicContact CE1-CB 4.48Å; Y1007-P1009 HydrophobicContact CE1-CG 3.99Å; P1009-A1011 VanDerWaalsContact C-N 3.26Å; P1009-A1011 PolarHBondContact O-N 2.83Å; P1009-E1012 HydrophobicContact CB-CG 4.34Å; P1009-E1012 HydrophobicContact CG-CG 4.26Å; P1009-E1012 PolarHBondContact O-N 3.39Å; P1009-E1012 VanDerWaalsContact O-N 3.09Å; P1009-T1013 PolarHBondContact O-N 2.7Å; P1009-T1013 PolarHBondContact O-OG1 2.95Å; P1009-T1013 VanDerWaalsContact O-OG1 3.05Å
1010	V	92.8	Very high	91.7	Very high	27 Å²	27	46 Å²	46	16%	0.164	26%	0.263	C	S	.	.	H	α-helix	trans	-57.1	-40	-179.6	172.9	0	0	0	0	111.3	E716 D723 H943 E1012 T1013 V1014	E716-V1010 HydrophobicContact CB-CG2 4.26Å; E716-V1010 HydrophobicContact CG-CG2 3.68Å; E716-V1010 WeakPolarHBondContact OE2-CB 3.47Å; E716-V1010 VanDerWaalsContact OE2-CG2 3.25Å; E716-V1010 WeakPolarHBondContact OE2-CG2 3.24Å; E716-V1010 PolarHBondContact OE2-N 3.33Å; D723-V1010 HydrophobicContact CB-CG2 3.81Å; H943-V1010 VanDerWaalsContact ND1-CG1 3.33Å; H943-V1010 WeakPolarHBondContact ND1-CG1 3.18Å; V1010-E1012 PolarHBondContact O-N 2.74Å; V1010-T1013 WeakPolarHBondContact O-CB 3.19Å; V1010-T1013 PolarHBondContact O-N 2.63Å; V1010-V1014 HydrophobicContact CG1-CG2 4.1Å; V1010-V1014 WeakPolarHBondContact O-CB 3.29Å; V1010-V1014 VanDerWaalsContact O-CG2 3.31Å; V1010-V1014 WeakPolarHBondContact O-CG2 3.37Å; V1010-V1014 PolarHBondContact O-N 2.76Å
1011	A	93.9	Very high	92.5	Very high	72 Å²	72	39 Å²	39	60%	0.595	23%	0.233	S	C	*	.	H	α-helix	trans	-63.5	-39.6	178.4	0	0	0	0	0	113.1	P1009 R1015	P1009-A1011 VanDerWaalsContact C-N 3.26Å; P1009-A1011 PolarHBondContact O-N 2.83Å; A1011-R1015 WeakPolarHBondContact O-CB 3.26Å; A1011-R1015 PolarHBondContact O-N 2.72Å
1012	E	94.8	Very high	93	Very high	64 Å²	64	40.2 Å²	40.2	30%	0.299	23%	0.234	S	C	.	.	H	α-helix	trans	-71.3	-39.3	176.3	-62	-60.4	110	0	0	110.9	V1008 P1009 V1010 R1015 G1016	V1008-E1012 HydrophobicContact CG1-CB 3.97Å; P1009-E1012 HydrophobicContact CB-CG 4.34Å; P1009-E1012 HydrophobicContact CG-CG 4.26Å; P1009-E1012 PolarHBondContact O-N 3.39Å; P1009-E1012 VanDerWaalsContact O-N 3.09Å; V1010-E1012 PolarHBondContact O-N 2.74Å; E1012-R1015 PolarHBondContact O-N 3.5Å; E1012-R1015 IonicContact OE1-CZ 3.75Å; E1012-R1015 IonicContact OE1-NH1 3.85Å; E1012-R1015 PolarHBondContact OE1-NH1 2.77Å; E1012-R1015 IonicContact OE2-CZ 3.26Å; E1012-R1015 VanDerWaalsContact OE2-CZ 3.22Å; E1012-R1015 IonicContact OE2-NH1 2.69Å; E1012-R1015 PolarHBondContact OE2-NH1 3.27Å; E1012-R1015 IonicContact OE2-NH2 2.78Å; E1012-R1015 PolarHBondContact OE2-NH2 3.24Å; E1012-G1016 PolarHBondContact O-N 3.19Å
1013	T	95.6	Very high	93.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-58.8	-55.9	173.9	-62.2	0	0	0	0	111.1	K720 L724 V1008 P1009 V1010 R1015 G1016 F1017	K720-T1013 HydrophobicContact CB-CG2 4.05Å; K720-T1013 HydrophobicContact CG-CG2 3.94Å; L724-T1013 HydrophobicContact CB-CG2 3.96Å; L724-T1013 HydrophobicContact CD1-CG2 4.49Å; V1008-T1013 WeakPolarHBondContact CG1-OG1 3.42Å; V1008-T1013 PolarHBondContact O-OG1 2.89Å; P1009-T1013 PolarHBondContact O-N 2.7Å; P1009-T1013 PolarHBondContact O-OG1 2.95Å; P1009-T1013 VanDerWaalsContact O-OG1 3.05Å; V1010-T1013 WeakPolarHBondContact O-CB 3.19Å; V1010-T1013 PolarHBondContact O-N 2.63Å; T1013-R1015 VanDerWaalsContact C-N 3.33Å; T1013-R1015 PolarHBondContact O-N 2.97Å; T1013-G1016 PolarHBondContact O-N 3.09Å; T1013-G1016 VanDerWaalsContact O-N 3.17Å; T1013-F1017 HydrophobicContact CG2-CD2 4Å; T1013-F1017 HydrophobicContact CG2-CE2 4.07Å; T1013-F1017 WeakPolarHBondContact O-CD2 3.36Å; T1013-F1017 PolarHBondContact O-N 2.89Å
1014	V	96	Very high	94	Very high	12 Å²	12	38.6 Å²	38.6	7%	0.073	21%	0.21	C	C	.	.	H	α-helix	trans	-61.9	-39.8	-179.2	173	0	0	0	0	110.8	L724 E942 H943 V946 V1010 K1018	L724-V1014 HydrophobicContact CD1-CG2 3.98Å; E942-V1014 HydrophobicContact CG-CG1 4.14Å; H943-V1014 HydrophobicContact CB-CG2 3.92Å; V946-V1014 HydrophobicContact CB-CG1 4.27Å; V946-V1014 HydrophobicContact CG1-CG1 4.5Å; V946-V1014 HydrophobicContact CG2-CG1 4.1Å; V1010-V1014 HydrophobicContact CG1-CG2 4.1Å; V1010-V1014 WeakPolarHBondContact O-CB 3.29Å; V1010-V1014 VanDerWaalsContact O-CG2 3.31Å; V1010-V1014 WeakPolarHBondContact O-CG2 3.37Å; V1010-V1014 PolarHBondContact O-N 2.76Å; V1014-K1018 WeakPolarHBondContact O-CB 3.19Å; V1014-K1018 PolarHBondContact O-N 3.38Å
1015	R	96	Very high	94.3	Very high	75 Å²	75	36.7 Å²	36.7	28%	0.283	19%	0.193	S	C	.	.	H	α-helix	trans	-58.3	-55.4	170.9	-175.7	177.7	77.1	-106.4	2	110.9	A1011 E1012 T1013 F1017 K1018 E1019 E1040	A1011-R1015 WeakPolarHBondContact O-CB 3.26Å; A1011-R1015 PolarHBondContact O-N 2.72Å; E1012-R1015 PolarHBondContact O-N 3.5Å; E1012-R1015 IonicContact OE1-CZ 3.75Å; E1012-R1015 IonicContact OE1-NH1 3.85Å; E1012-R1015 PolarHBondContact OE1-NH1 2.77Å; E1012-R1015 IonicContact OE2-CZ 3.26Å; E1012-R1015 VanDerWaalsContact OE2-CZ 3.22Å; E1012-R1015 IonicContact OE2-NH1 2.69Å; E1012-R1015 PolarHBondContact OE2-NH1 3.27Å; E1012-R1015 IonicContact OE2-NH2 2.78Å; E1012-R1015 PolarHBondContact OE2-NH2 3.24Å; T1013-R1015 VanDerWaalsContact C-N 3.33Å; T1013-R1015 PolarHBondContact O-N 2.97Å; R1015-F1017 PolarHBondContact O-N 2.82Å; R1015-K1018 WeakPolarHBondContact O-CB 3.47Å; R1015-K1018 PolarHBondContact O-N 3.31Å; R1015-K1018 VanDerWaalsContact O-N 3.11Å; R1015-E1019 HydrophobicContact CG-CG 4.02Å; R1015-E1019 IonicContact NE-OE2 3.99Å; R1015-E1019 WeakPolarHBondContact O-CG 3.45Å; R1015-E1019 PolarHBondContact O-N 2.81Å; R1015-E1040 IonicContact CZ-OE1 2.88Å; R1015-E1040 IonicContact NE-OE1 3.5Å; R1015-E1040 VanDerWaalsContact NH2-CD 3.35Å; R1015-E1040 IonicContact NH2-OE1 2.64Å; R1015-E1040 PolarHBondContact NH2-OE1 3.19Å; R1015-E1040 IonicContact NH2-OE2 3.84Å; R1015-E1040 PolarHBondContact NH2-OE2 3.49Å
1016	G	95.6	Very high	94.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-55.8	-46	-174.5	0	0	0	0	0	113.3	E1012 T1013 E1019 I1020	E1012-G1016 PolarHBondContact O-N 3.19Å; T1013-G1016 PolarHBondContact O-N 3.09Å; T1013-G1016 VanDerWaalsContact O-N 3.17Å; G1016-E1019 PolarHBondContact O-N 3.16Å; G1016-I1020 WeakPolarHBondContact O-CG1 3.39Å; G1016-I1020 PolarHBondContact O-N 2.95Å
1017	F	96.9	Very high	94.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-69	-39.4	176.3	-77.1	-79	0	0	0	113.1	K720 L724 V946 V950 I986 F989 L990 T1013 R1015 E1019 I1020 L1021	K720-F1017 HydrophobicContact CB-CE2 4.15Å; K720-F1017 HydrophobicContact CD-CE2 4.17Å; K720-F1017 HydrophobicContact CG-CE2 4.49Å; L724-F1017 HydrophobicContact CD2-CB 4.14Å; L724-F1017 HydrophobicContact CD2-CD1 4.16Å; L724-F1017 HydrophobicContact CD2-CD2 3.61Å; L724-F1017 HydrophobicContact CD2-CE2 4.03Å; L724-F1017 HydrophobicContact CD2-CG 3.69Å; L724-F1017 HydrophobicContact CD2-CZ 4.47Å; V946-F1017 HydrophobicContact CG1-CB 3.74Å; V950-F1017 HydrophobicContact CG2-CB 4Å; V950-F1017 HydrophobicContact CG2-CD1 3.77Å; V950-F1017 HydrophobicContact CG2-CG 4.15Å; I986-F1017 HydrophobicContact CB-CE1 4.43Å; I986-F1017 HydrophobicContact CG1-CD1 4.33Å; I986-F1017 HydrophobicContact CG2-CD1 4.17Å; I986-F1017 HydrophobicContact CG2-CE1 3.9Å; F989-F1017 HydrophobicContact CB-CE1 4.16Å; F989-F1017 HydrophobicContact CB-CZ 4.19Å; F989-F1017 HydrophobicContact CD1-CD1 4.04Å; F989-F1017 AromaticContact CD1-CD2 3.96Å; F989-F1017 HydrophobicContact CD1-CD2 3.96Å; F989-F1017 AromaticContact CD1-CE1 3.67Å; F989-F1017 HydrophobicContact CD1-CE1 3.67Å; F989-F1017 AromaticContact CD1-CE2 3.59Å; F989-F1017 HydrophobicContact CD1-CE2 3.59Å; F989-F1017 HydrophobicContact CD1-CG 4.18Å; F989-F1017 AromaticContact CD1-CZ 3.42Å; F989-F1017 HydrophobicContact CD1-CZ 3.42Å; F989-F1017 VanDerWaalsContact CD1-CZ 3.42Å; F989-F1017 AromaticContact CE1-CD2 4Å; F989-F1017 HydrophobicContact CE1-CD2 4Å; F989-F1017 AromaticContact CE1-CE2 3.83Å; F989-F1017 HydrophobicContact CE1-CE2 3.83Å; F989-F1017 HydrophobicContact CE1-CG 4.46Å; F989-F1017 HydrophobicContact CE1-CZ 4.15Å; F989-F1017 HydrophobicContact CG-CE1 4.39Å; F989-F1017 HydrophobicContact CG-CZ 4.15Å; L990-F1017 HydrophobicContact CB-CZ 4.5Å; L990-F1017 HydrophobicContact CD2-CE1 3.89Å; L990-F1017 HydrophobicContact CD2-CE2 4.22Å; L990-F1017 HydrophobicContact CD2-CZ 3.45Å; L990-F1017 VanDerWaalsContact CD2-CZ 3.45Å; L990-F1017 HydrophobicContact CG-CE1 3.9Å; L990-F1017 HydrophobicContact CG-CZ 3.73Å; T1013-F1017 HydrophobicContact CG2-CD2 4Å; T1013-F1017 HydrophobicContact CG2-CE2 4.07Å; T1013-F1017 WeakPolarHBondContact O-CD2 3.36Å; T1013-F1017 PolarHBondContact O-N 2.89Å; R1015-F1017 PolarHBondContact O-N 2.82Å; F1017-E1019 VanDerWaalsContact C-N 3.31Å; F1017-E1019 PolarHBondContact O-N 3.14Å; F1017-I1020 PolarHBondContact O-N 3.11Å; F1017-L1021 WeakPolarHBondContact O-CG 3.46Å; F1017-L1021 PolarHBondContact O-N 3.21Å
1018	K	96.5	Very high	94.4	Very high	70 Å²	70	42.9 Å²	42.9	30%	0.304	22%	0.224	S	C	.	.	H	α-helix	trans	-58.2	-43.8	174.2	-171.4	-179.3	-176.9	-177.9	0	111.8	E942 V946 V1014 R1015 I1020 L1021 E1022	E942-K1018 IonicContact OE1-NZ 3.66Å; E942-K1018 PolarHBondContact OE1-NZ 3.39Å; V946-K1018 HydrophobicContact CG1-CB 4.36Å; V946-K1018 HydrophobicContact CG2-CB 3.75Å; V946-K1018 HydrophobicContact CG2-CD 4.27Å; V946-K1018 HydrophobicContact CG2-CG 3.97Å; V1014-K1018 WeakPolarHBondContact O-CB 3.19Å; V1014-K1018 PolarHBondContact O-N 3.38Å; R1015-K1018 WeakPolarHBondContact O-CB 3.47Å; R1015-K1018 PolarHBondContact O-N 3.31Å; R1015-K1018 VanDerWaalsContact O-N 3.11Å; K1018-I1020 PolarHBondContact O-N 2.83Å; K1018-L1021 PolarHBondContact O-N 3.06Å; K1018-E1022 VanDerWaalsContact CE-OE1 3.3Å; K1018-E1022 WeakPolarHBondContact CE-OE1 3.49Å; K1018-E1022 HydrophobicContact CG-CG 4.49Å; K1018-E1022 WeakPolarHBondContact O-CB 3.49Å; K1018-E1022 VanDerWaalsContact O-CG 3.3Å; K1018-E1022 WeakPolarHBondContact O-CG 3.46Å; K1018-E1022 PolarHBondContact O-N 3.17Å
1019	E	96.5	Very high	94.3	Very high	33 Å²	33	43.9 Å²	43.9	15%	0.154	23%	0.231	C	C	.	.	H	α-helix	trans	-70.7	-29.7	-178.7	-65.4	-160.9	116.7	0	0	113	R1015 G1016 F1017 G1023 K1024 Y1025	R1015-E1019 HydrophobicContact CG-CG 4.02Å; R1015-E1019 IonicContact NE-OE2 3.99Å; R1015-E1019 WeakPolarHBondContact O-CG 3.45Å; R1015-E1019 PolarHBondContact O-N 2.81Å; G1016-E1019 PolarHBondContact O-N 3.16Å; F1017-E1019 VanDerWaalsContact C-N 3.31Å; F1017-E1019 PolarHBondContact O-N 3.14Å; E1019-G1023 PolarHBondContact O-N 2.98Å; E1019-K1024 HydrophobicContact CB-CB 4.46Å; E1019-K1024 HydrophobicContact CB-CD 3.68Å; E1019-K1024 HydrophobicContact CG-CD 3.71Å; E1019-K1024 WeakPolarHBondContact O-CB 3.42Å; E1019-K1024 PolarHBondContact O-N 3.27Å; E1019-K1024 WeakPolarHBondContact OE1-CD 3.21Å; E1019-K1024 WeakPolarHBondContact OE1-CE 3.46Å; E1019-K1024 IonicContact OE1-NZ 3.83Å; E1019-K1024 PolarHBondContact OE1-NZ 3.32Å; E1019-Y1025 HydrophobicContact CB-CD2 4.31Å; E1019-Y1025 HydrophobicContact CB-CE2 3.63Å
1020	I	95.5	Very high	94.2	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-69.1	-42.6	168.9	-63.8	165.4	0	0	0	111	R985 I986 F989 G1016 F1017 K1018 G1023 Y1025 F1033 I1039	R985-I1020 HydrophobicContact CB-CG2 4.2Å; I986-I1020 HydrophobicContact CD1-CG2 4.34Å; I986-I1020 HydrophobicContact CG1-CG2 3.73Å; F989-I1020 HydrophobicContact CB-CD1 3.92Å; F989-I1020 HydrophobicContact CD1-CD1 3.48Å; F989-I1020 VanDerWaalsContact CD1-CD1 3.48Å; F989-I1020 HydrophobicContact CE1-CD1 4.16Å; F989-I1020 HydrophobicContact CG-CD1 3.75Å; G1016-I1020 WeakPolarHBondContact O-CG1 3.39Å; G1016-I1020 PolarHBondContact O-N 2.95Å; F1017-I1020 PolarHBondContact O-N 3.11Å; K1018-I1020 PolarHBondContact O-N 2.83Å; I1020-G1023 WeakPolarHBondContact O-CA 3.48Å; I1020-G1023 PolarHBondContact O-N 2.99Å; I1020-Y1025 HydrophobicContact CG1-CD2 4.16Å; I1020-F1033 HydrophobicContact CD1-CD1 3.83Å; I1020-F1033 HydrophobicContact CD1-CE1 3.66Å; I1020-F1033 HydrophobicContact CG1-CD1 4.46Å; I1020-F1033 HydrophobicContact CG1-CE1 3.79Å; I1020-I1039 HydrophobicContact CD1-CD1 3.91Å; I1020-I1039 HydrophobicContact CG1-CD1 4.01Å
1021	L	95.1	Very high	94.1	Very high	24 Å²	24	46.8 Å²	46.8	13%	0.126	24%	0.241	C	C	.	.	H	α-helix	trans	-64.4	-38.4	176.4	-72.9	173.5	0	0	0	112.6	V946 E949 V950 V953 R982 I986 F1017 K1018 G1023	V946-L1021 HydrophobicContact CG1-CD1 4.25Å; E949-L1021 HydrophobicContact CB-CD1 3.8Å; E949-L1021 HydrophobicContact CG-CD1 3.55Å; E949-L1021 HydrophobicContact CG-CD2 3.78Å; E949-L1021 HydrophobicContact CG-CG 4.2Å; V950-L1021 HydrophobicContact CG2-CD1 4Å; V950-L1021 HydrophobicContact CG2-CG 4.38Å; V953-L1021 HydrophobicContact CG2-CD2 3.9Å; R982-L1021 PolarHBondContact NH1-O 3.35Å; I986-L1021 HydrophobicContact CD1-CD2 3.79Å; I986-L1021 HydrophobicContact CD1-CG 4.47Å; F1017-L1021 WeakPolarHBondContact O-CG 3.46Å; F1017-L1021 PolarHBondContact O-N 3.21Å; K1018-L1021 PolarHBondContact O-N 3.06Å; L1021-G1023 PolarHBondContact O-N 3.02Å
1022	E	94.3	Very high	94.1	Very high	96 Å²	96	43.4 Å²	43.4	45%	0.449	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-13.8	171.4	-72.8	172	174.7	0	0	112.9	K1018 K1024	K1018-E1022 VanDerWaalsContact CE-OE1 3.3Å; K1018-E1022 WeakPolarHBondContact CE-OE1 3.49Å; K1018-E1022 HydrophobicContact CG-CG 4.49Å; K1018-E1022 WeakPolarHBondContact O-CB 3.49Å; K1018-E1022 VanDerWaalsContact O-CG 3.3Å; K1018-E1022 WeakPolarHBondContact O-CG 3.46Å; K1018-E1022 PolarHBondContact O-N 3.17Å; E1022-K1024 HydrophobicContact CB-CG 4.46Å; E1022-K1024 WeakPolarHBondContact OE2-CE 3.42Å; E1022-K1024 IonicContact OE2-NZ 3.87Å; E1022-K1024 PolarHBondContact OE2-NZ 3.39Å
1023	G	92.8	Very high	94.2	Very high	18 Å²	18	40.3 Å²	40.3	19%	0.186	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	10.8	177.7	0	0	0	0	0	115.3	E1019 I1020 L1021 Y1025 D1026	E1019-G1023 PolarHBondContact O-N 2.98Å; I1020-G1023 WeakPolarHBondContact O-CA 3.48Å; I1020-G1023 PolarHBondContact O-N 2.99Å; L1021-G1023 PolarHBondContact O-N 3.02Å; G1023-Y1025 PolarHBondContact O-N 3.07Å; G1023-D1026 WeakPolarHBondContact CA-OD2 3.36Å; G1023-D1026 PolarHBondContact O-N 2.93Å; G1023-D1026 VanDerWaalsContact O-N 3.11Å
1024	K	93.2	Very high	94	Very high	111 Å²	111	43.1 Å²	43.1	48%	0.483	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-18	-177	-74.4	165.8	167.6	163.4	0	114.4	E1019 E1022	E1019-K1024 HydrophobicContact CB-CB 4.46Å; E1019-K1024 HydrophobicContact CB-CD 3.68Å; E1019-K1024 HydrophobicContact CG-CD 3.71Å; E1019-K1024 WeakPolarHBondContact O-CB 3.42Å; E1019-K1024 PolarHBondContact O-N 3.27Å; E1019-K1024 WeakPolarHBondContact OE1-CD 3.21Å; E1019-K1024 WeakPolarHBondContact OE1-CE 3.46Å; E1019-K1024 IonicContact OE1-NZ 3.83Å; E1019-K1024 PolarHBondContact OE1-NZ 3.32Å; E1022-K1024 HydrophobicContact CB-CG 4.46Å; E1022-K1024 WeakPolarHBondContact OE2-CE 3.42Å; E1022-K1024 IonicContact OE2-NZ 3.87Å; E1022-K1024 PolarHBondContact OE2-NZ 3.39Å
1025	Y	93.8	Very high	93.6	Very high	38 Å²	38	44.7 Å²	44.7	15%	0.149	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.3	21	-177.7	-53.6	-69.1	0	0	0	113.1	R985 E1019 I1020 G1023 D1027 L1028 I1039 V1043	R985-Y1025 PolarHBondContact NE-O 3.29Å; E1019-Y1025 HydrophobicContact CB-CD2 4.31Å; E1019-Y1025 HydrophobicContact CB-CE2 3.63Å; I1020-Y1025 HydrophobicContact CG1-CD2 4.16Å; G1023-Y1025 PolarHBondContact O-N 3.07Å; Y1025-D1027 PolarHBondContact O-N 3.48Å; Y1025-L1028 HydrophobicContact CD1-CD1 3.71Å; Y1025-L1028 HydrophobicContact CD1-CG 4.37Å; Y1025-L1028 HydrophobicContact CG-CD1 4.27Å; Y1025-L1028 WeakPolarHBondContact O-CB 3.38Å; Y1025-L1028 PolarHBondContact O-N 3.02Å; Y1025-I1039 HydrophobicContact CD2-CD1 3.97Å; Y1025-I1039 HydrophobicContact CD2-CG1 4.04Å; Y1025-I1039 HydrophobicContact CE2-CD1 3.79Å; Y1025-I1039 HydrophobicContact CE2-CG1 3.34Å; Y1025-V1043 HydrophobicContact CD1-CG2 4.18Å; Y1025-V1043 HydrophobicContact CE1-CG2 3.59Å
1026	D	92	Very high	93.5	Very high	38 Å²	38	41.4 Å²	41.4	20%	0.203	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-13.8	179.8	-85.6	-30.7	0	0	0	114.5	R982 R985 G1023	R982-D1026 VanDerWaalsContact CG-OD1 3.26Å; R982-D1026 WeakPolarHBondContact CG-OD1 3.49Å; R982-D1026 IonicContact CZ-OD2 3.37Å; R982-D1026 IonicContact NE-OD1 3.62Å; R982-D1026 IonicContact NE-OD2 2.73Å; R982-D1026 PolarHBondContact NE-OD2 3.43Å; R982-D1026 IonicContact NH2-OD2 3.49Å; R982-D1026 PolarHBondContact NH2-OD2 2.92Å; R985-D1026 IonicContact CZ-OD1 2.68Å; R985-D1026 PolarHBondContact NH1-O 3.44Å; R985-D1026 IonicContact NH1-OD1 2.71Å; R985-D1026 PolarHBondContact NH1-OD1 2.92Å; R985-D1026 PolarHBondContact NH2-O 3.22Å; G1023-D1026 WeakPolarHBondContact CA-OD2 3.36Å; G1023-D1026 PolarHBondContact O-N 2.93Å; G1023-D1026 VanDerWaalsContact O-N 3.11Å
1027	D	91.1	Very high	93.3	Very high	150 Å²	150	41.4 Å²	41.4	80%	0.802	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-15.9	170.7	-61.4	-51.2	0	0	0	113.1	Y1025	Y1025-D1027 PolarHBondContact O-N 3.48Å
1028	L	92.8	Very high	93.1	Very high	24 Å²	24	42.9 Å²	42.9	13%	0.126	22%	0.215	C	C	.	.	S	Bend	trans	-84.5	143.5	-175	-57.9	-166.4	0	0	0	112.3	R985 Y1025 F1033 V1042 V1043 A1046	R985-L1028 PolarHBondContact NE-O 3.29Å; R985-L1028 PolarHBondContact NH2-O 2.96Å; Y1025-L1028 HydrophobicContact CD1-CD1 3.71Å; Y1025-L1028 HydrophobicContact CD1-CG 4.37Å; Y1025-L1028 HydrophobicContact CG-CD1 4.27Å; Y1025-L1028 WeakPolarHBondContact O-CB 3.38Å; Y1025-L1028 PolarHBondContact O-N 3.02Å; L1028-F1033 HydrophobicContact CB-CE2 3.98Å; L1028-F1033 HydrophobicContact CB-CZ 4.24Å; L1028-V1042 HydrophobicContact CD1-CG1 3.96Å; L1028-V1043 HydrophobicContact CD1-CG2 4.34Å; L1028-A1046 HydrophobicContact CD1-CB 4.14Å; L1028-A1046 HydrophobicContact CD2-CB 3.92Å; L1028-A1046 HydrophobicContact CG-CB 4.44Å
1029	P	92.1	Very high	93	Very high	21 Å²	21	39.5 Å²	39.5	14%	0.136	20%	0.2	C	C	.	.			trans	-69.1	143.5	-178.3	29.5	-35.6	0	0	0	111.8	D1031 A1032 M1049 Y1051	P1029-D1031 VanDerWaalsContact C-N 3.31Å; P1029-D1031 PolarHBondContact O-N 3.18Å; P1029-A1032 HydrophobicContact CG-CB 4.13Å; P1029-A1032 VanDerWaalsContact O-CB 3.31Å; P1029-A1032 WeakPolarHBondContact O-CB 3.31Å; P1029-A1032 PolarHBondContact O-N 2.99Å; P1029-M1049 HydrophobicContact CB-CE 4.15Å; P1029-M1049 HydrophobicContact CG-CE 3.78Å; P1029-M1049 HydrophobicContact CG-SD 4.35Å; P1029-Y1051 HydrophobicContact CB-CE1 4.22Å; P1029-Y1051 HydrophobicContact CB-CE2 4.29Å; P1029-Y1051 HydrophobicContact CG-CD1 4.09Å; P1029-Y1051 HydrophobicContact CG-CD2 3.76Å; P1029-Y1051 HydrophobicContact CG-CE1 4.24Å; P1029-Y1051 HydrophobicContact CG-CE2 3.94Å; P1029-Y1051 HydrophobicContact CG-CG 3.86Å
1030	E	91.3	Very high	92.9	Very high	56 Å²	56	41.9 Å²	41.9	26%	0.262	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-54.3	-41.3	-174.6	-59.8	177.7	-173.8	0	0	113.3	R984 F988 A1032 F1033	R984-E1030 HydrophobicContact CB-CG 4.37Å; R984-E1030 WeakPolarHBondContact CD-OE1 3.37Å; R984-E1030 WeakPolarHBondContact CD-OE2 3.43Å; R984-E1030 IonicContact CZ-OE1 3.23Å; R984-E1030 IonicContact NE-OE1 2.78Å; R984-E1030 IonicContact NH1-OE1 2.68Å; R984-E1030 PolarHBondContact NH1-OE1 3.43Å; R984-E1030 IonicContact NH1-OE2 2.79Å; F988-E1030 HydrophobicContact CD2-CB 3.97Å; F988-E1030 WeakPolarHBondContact CD2-O 3.47Å; F988-E1030 HydrophobicContact CE2-CB 3.91Å; E1030-A1032 PolarHBondContact O-N 2.83Å; E1030-F1033 WeakPolarHBondContact O-CB 3.37Å; E1030-F1033 WeakPolarHBondContact O-CD2 3.33Å; E1030-F1033 PolarHBondContact O-N 2.72Å; E1030-F1033 VanDerWaalsContact O-N 3.11Å
1031	D	91.6	Very high	92.8	Very high	80 Å²	80	44.2 Å²	44.2	43%	0.428	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-69.9	-11.7	-180	-82.6	-51.8	0	0	0	114.8	P1029 F1033 R1034 K1045 M1049	P1029-D1031 VanDerWaalsContact C-N 3.31Å; P1029-D1031 PolarHBondContact O-N 3.18Å; D1031-F1033 PolarHBondContact O-N 3.26Å; D1031-R1034 PolarHBondContact O-N 2.72Å; D1031-R1034 IonicContact OD1-CZ 2.64Å; D1031-R1034 VanDerWaalsContact OD1-CZ 3.23Å; D1031-R1034 IonicContact OD1-NE 2.65Å; D1031-R1034 PolarHBondContact OD1-NE 3.17Å; D1031-R1034 IonicContact OD1-NH2 2.76Å; D1031-R1034 PolarHBondContact OD1-NH2 2.84Å; D1031-K1045 VanDerWaalsContact O-CE 3.28Å; D1031-K1045 WeakPolarHBondContact O-CE 3.46Å; D1031-K1045 PolarHBondContact O-NZ 3.15Å; D1031-M1049 HydrophobicContact CB-CE 4.34Å
1032	A	93.9	Very high	92.7	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-67.2	-23.4	170.1	0	0	0	0	0	112.1	P1029 E1030 V1042 K1045 A1046 M1049	P1029-A1032 HydrophobicContact CG-CB 4.13Å; P1029-A1032 VanDerWaalsContact O-CB 3.31Å; P1029-A1032 WeakPolarHBondContact O-CB 3.31Å; P1029-A1032 PolarHBondContact O-N 2.99Å; E1030-A1032 PolarHBondContact O-N 2.83Å; A1032-V1042 HydrophobicContact CB-CG1 3.86Å; A1032-K1045 HydrophobicContact CB-CB 4.46Å; A1032-K1045 HydrophobicContact CB-CG 4.46Å; A1032-A1046 HydrophobicContact CB-CB 4.15Å; A1032-M1049 HydrophobicContact CB-SD 4.27Å
1033	F	94.8	Very high	92.6	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-86.5	-9.3	179.6	-62	-96.8	0	0	0	113.6	R985 F988 F989 I1020 L1028 E1030 D1031 V1036 I1039 V1042	R985-F1033 HydrophobicContact CB-CD1 4.22Å; R985-F1033 HydrophobicContact CB-CD2 4.02Å; R985-F1033 HydrophobicContact CB-CE1 4.2Å; R985-F1033 HydrophobicContact CB-CE2 4.01Å; R985-F1033 HydrophobicContact CB-CG 4.12Å; R985-F1033 HydrophobicContact CB-CZ 4.08Å; R985-F1033 HydrophobicContact CG-CD2 3.76Å; R985-F1033 HydrophobicContact CG-CE2 3.51Å; R985-F1033 HydrophobicContact CG-CG 4.37Å; R985-F1033 HydrophobicContact CG-CZ 3.92Å; F988-F1033 CarbonylContact C-O 3.52Å; F988-F1033 HydrophobicContact CB-CB 3.9Å; F989-F1033 WeakPolarHBondContact CA-O 3.41Å; F989-F1033 HydrophobicContact CB-CB 4.16Å; F989-F1033 HydrophobicContact CB-CD1 4.07Å; F989-F1033 HydrophobicContact CD2-CD1 4.3Å; F989-F1033 HydrophobicContact CG-CD1 4.33Å; F989-F1033 PolarHBondContact N-O 3.34Å; I1020-F1033 HydrophobicContact CD1-CD1 3.83Å; I1020-F1033 HydrophobicContact CD1-CE1 3.66Å; I1020-F1033 HydrophobicContact CG1-CD1 4.46Å; I1020-F1033 HydrophobicContact CG1-CE1 3.79Å; L1028-F1033 HydrophobicContact CB-CE2 3.98Å; L1028-F1033 HydrophobicContact CB-CZ 4.24Å; E1030-F1033 WeakPolarHBondContact O-CB 3.37Å; E1030-F1033 WeakPolarHBondContact O-CD2 3.33Å; E1030-F1033 PolarHBondContact O-N 2.72Å; E1030-F1033 VanDerWaalsContact O-N 3.11Å; D1031-F1033 PolarHBondContact O-N 3.26Å; F1033-V1036 WeakPolarHBondContact O-CG2 3.31Å; F1033-I1039 HydrophobicContact CE1-CD1 4.29Å; F1033-V1042 HydrophobicContact CD1-CB 4.39Å; F1033-V1042 HydrophobicContact CD1-CG1 3.68Å; F1033-V1042 HydrophobicContact CD1-CG2 3.8Å; F1033-V1042 HydrophobicContact CD2-CG1 3.91Å; F1033-V1042 HydrophobicContact CE1-CB 4.48Å; F1033-V1042 HydrophobicContact CE1-CG1 3.63Å; F1033-V1042 HydrophobicContact CE1-CG2 4.26Å; F1033-V1042 HydrophobicContact CE2-CG1 3.85Å; F1033-V1042 HydrophobicContact CG-CG1 3.84Å; F1033-V1042 HydrophobicContact CG-CG2 4.29Å; F1033-V1042 HydrophobicContact CZ-CG1 3.73Å
1034	R	91.6	Very high	92.6	Very high	58 Å²	58	44.3 Å²	44.3	22%	0.219	22%	0.221	C	C	.	.	S	Bend	trans	-83.2	130.9	-174.2	-173.5	-161.6	-62.9	-94.4	4	111.9	M918 G919 F988 D1031 K1045	M918-R1034 PolarHBondContact O-NH1 3.46Å; G919-R1034 PolarHBondContact O-NH1 3.42Å; F988-R1034 HydrophobicContact CB-CB 4.17Å; F988-R1034 HydrophobicContact CD1-CB 4.4Å; F988-R1034 HydrophobicContact CD1-CG 4.37Å; F988-R1034 HydrophobicContact CG-CB 4.31Å; D1031-R1034 PolarHBondContact O-N 2.72Å; D1031-R1034 IonicContact OD1-CZ 2.64Å; D1031-R1034 VanDerWaalsContact OD1-CZ 3.23Å; D1031-R1034 IonicContact OD1-NE 2.65Å; D1031-R1034 PolarHBondContact OD1-NE 3.17Å; D1031-R1034 IonicContact OD1-NH2 2.76Å; D1031-R1034 PolarHBondContact OD1-NH2 2.84Å; R1034-K1045 PolarHBondContact O-NZ 2.67Å
1035	N	89.1	Confident	92.5	Very high	45 Å²	45	41.6 Å²	41.6	24%	0.241	21%	0.209	C	C	.	.	S	Bend	trans	49.2	66.2	176.5	-59	-3.3	0	0	0	112.4	S991	S991-N1035 WeakPolarHBondContact CB-OD1 3.33Å; S991-N1035 PolarHBondContact OG-N 3.48Å; S991-N1035 PolarHBondContact OG-OD1 3.35Å
1036	V	92.4	Very high	92.4	Very high	7 Å²	7	39.9 Å²	39.9	4%	0.042	20%	0.203	C	C	.	.			trans	-140.3	163.6	-179.5	-67	0	0	0	0	110.9	K720 F989 N993 F1033 D1041 V1042 K1045	K720-V1036 PolarHBondContact NZ-O 3.32Å; F989-V1036 HydrophobicContact CD2-CG2 3.95Å; F989-V1036 HydrophobicContact CE2-CG2 4.08Å; N993-V1036 WeakPolarHBondContact OD1-CA 3.25Å; N993-V1036 PolarHBondContact OD1-O 3.03Å; F1033-V1036 WeakPolarHBondContact O-CG2 3.31Å; V1036-D1041 HydrophobicContact CB-CB 3.76Å; V1036-D1041 HydrophobicContact CG1-CB 4.12Å; V1036-V1042 HydrophobicContact CG2-CG2 3.92Å; V1036-K1045 HydrophobicContact CG1-CD 3.79Å
1037	G	92.3	Very high	92.4	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	-85.4	-111.8	-178.8	0	0	0	0	0	112.2	K720 N993 V1008 D1041	K720-G1037 VanDerWaalsContact CE-O 3.31Å; K720-G1037 WeakPolarHBondContact CE-O 3.44Å; K720-G1037 PolarHBondContact NZ-O 3.03Å; N993-G1037 PolarHBondContact OD1-N 3.46Å; V1008-G1037 VanDerWaalsContact CG2-C 3.45Å; G1037-D1041 WeakPolarHBondContact CA-OD2 3.4Å; G1037-D1041 PolarHBondContact N-OD2 2.82Å
1038	P	93.5	Very high	92.3	Very high	30 Å²	30	44.4 Å²	44.4	20%	0.195	21%	0.213	C	C	.	.	S	Bend	trans	-73.5	178.5	175.3	34.7	-37.9	0	0	0	112	V1008 E1040 D1041	V1008-P1038 HydrophobicContact CG1-CB 4.46Å; P1038-E1040 VanDerWaalsContact C-N 3.26Å; P1038-E1040 PolarHBondContact O-N 2.9Å; P1038-D1041 WeakPolarHBondContact O-CB 3.44Å; P1038-D1041 PolarHBondContact O-N 2.78Å
1039	I	93.9	Very high	92.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-69.5	-24.4	-174.2	-166.4	62.4	0	0	0	112.9	F989 I1020 Y1025 F1033 D1041 V1042 V1043	F989-I1039 HydrophobicContact CE1-CD1 4.25Å; F989-I1039 HydrophobicContact CE2-CD1 4.08Å; F989-I1039 HydrophobicContact CZ-CB 4.07Å; F989-I1039 HydrophobicContact CZ-CD1 3.93Å; I1020-I1039 HydrophobicContact CD1-CD1 3.91Å; I1020-I1039 HydrophobicContact CG1-CD1 4.01Å; Y1025-I1039 HydrophobicContact CD2-CD1 3.97Å; Y1025-I1039 HydrophobicContact CD2-CG1 4.04Å; Y1025-I1039 HydrophobicContact CE2-CD1 3.79Å; Y1025-I1039 HydrophobicContact CE2-CG1 3.34Å; F1033-I1039 HydrophobicContact CE1-CD1 4.29Å; I1039-D1041 VanDerWaalsContact C-N 3.28Å; I1039-D1041 PolarHBondContact O-N 3.38Å; I1039-V1042 HydrophobicContact CD1-CB 4.43Å; I1039-V1042 HydrophobicContact CD1-CG2 3.99Å; I1039-V1042 VanDerWaalsContact O-CB 3.31Å; I1039-V1042 WeakPolarHBondContact O-CB 3.43Å; I1039-V1042 PolarHBondContact O-N 3.16Å; I1039-V1043 PolarHBondContact O-N 2.7Å
1040	E	93.7	Very high	91.8	Very high	83 Å²	83	52.9 Å²	52.9	39%	0.388	26%	0.257	S	S	.	.	H	α-helix	trans	-62.2	-33.8	175.8	-70.3	66.1	-150.7	0	0	112.4	R1015 P1038 V1042 V1043 E1044	R1015-E1040 IonicContact CZ-OE1 2.88Å; R1015-E1040 IonicContact NE-OE1 3.5Å; R1015-E1040 VanDerWaalsContact NH2-CD 3.35Å; R1015-E1040 IonicContact NH2-OE1 2.64Å; R1015-E1040 PolarHBondContact NH2-OE1 3.19Å; R1015-E1040 IonicContact NH2-OE2 3.84Å; R1015-E1040 PolarHBondContact NH2-OE2 3.49Å; P1038-E1040 VanDerWaalsContact C-N 3.26Å; P1038-E1040 PolarHBondContact O-N 2.9Å; E1040-V1042 VanDerWaalsContact C-N 3.29Å; E1040-V1042 PolarHBondContact O-N 3.49Å; E1040-V1043 PolarHBondContact O-N 2.86Å; E1040-V1043 VanDerWaalsContact O-N 3.14Å; E1040-E1044 PolarHBondContact O-N 2.97Å
1041	D	92.9	Very high	91.1	Very high	49 Å²	49	58.9 Å²	58.9	26%	0.262	28%	0.278	S	S	.	.	H	α-helix	trans	-62.9	-35.8	175.8	-75.7	-1.5	0	0	0	111.8	V1036 G1037 P1038 I1039 V1043 E1044 K1045	V1036-D1041 HydrophobicContact CB-CB 3.76Å; V1036-D1041 HydrophobicContact CG1-CB 4.12Å; G1037-D1041 WeakPolarHBondContact CA-OD2 3.4Å; G1037-D1041 PolarHBondContact N-OD2 2.82Å; P1038-D1041 WeakPolarHBondContact O-CB 3.44Å; P1038-D1041 PolarHBondContact O-N 2.78Å; I1039-D1041 VanDerWaalsContact C-N 3.28Å; I1039-D1041 PolarHBondContact O-N 3.38Å; D1041-V1043 VanDerWaalsContact C-N 3.31Å; D1041-V1043 PolarHBondContact O-N 2.86Å; D1041-E1044 PolarHBondContact O-N 3.05Å; D1041-K1045 WeakPolarHBondContact O-CB 3.07Å; D1041-K1045 PolarHBondContact O-N 3.09Å
1042	V	93.8	Very high	91	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.2	-45.2	174.8	-176	0	0	0	0	109.8	F989 L1028 A1032 F1033 V1036 I1039 E1040 K1045 A1046	F989-V1042 HydrophobicContact CD2-CG2 3.9Å; F989-V1042 HydrophobicContact CE2-CG2 3.87Å; L1028-V1042 HydrophobicContact CD1-CG1 3.96Å; A1032-V1042 HydrophobicContact CB-CG1 3.86Å; F1033-V1042 HydrophobicContact CD1-CB 4.39Å; F1033-V1042 HydrophobicContact CD1-CG1 3.68Å; F1033-V1042 HydrophobicContact CD1-CG2 3.8Å; F1033-V1042 HydrophobicContact CD2-CG1 3.91Å; F1033-V1042 HydrophobicContact CE1-CB 4.48Å; F1033-V1042 HydrophobicContact CE1-CG1 3.63Å; F1033-V1042 HydrophobicContact CE1-CG2 4.26Å; F1033-V1042 HydrophobicContact CE2-CG1 3.85Å; F1033-V1042 HydrophobicContact CG-CG1 3.84Å; F1033-V1042 HydrophobicContact CG-CG2 4.29Å; F1033-V1042 HydrophobicContact CZ-CG1 3.73Å; V1036-V1042 HydrophobicContact CG2-CG2 3.92Å; I1039-V1042 HydrophobicContact CD1-CB 4.43Å; I1039-V1042 HydrophobicContact CD1-CG2 3.99Å; I1039-V1042 VanDerWaalsContact O-CB 3.31Å; I1039-V1042 WeakPolarHBondContact O-CB 3.43Å; I1039-V1042 PolarHBondContact O-N 3.16Å; E1040-V1042 VanDerWaalsContact C-N 3.29Å; E1040-V1042 PolarHBondContact O-N 3.49Å; V1042-K1045 PolarHBondContact O-N 3.31Å; V1042-A1046 WeakPolarHBondContact O-CB 3.44Å; V1042-A1046 PolarHBondContact O-N 2.83Å
1043	V	92.7	Very high	90.9	Very high	38 Å²	38	60.8 Å²	60.8	23%	0.23	29%	0.285	C	S	.	.	H	α-helix	trans	-68.1	-37.1	-179.8	-177.6	0	0	0	0	110.9	Y1025 L1028 I1039 E1040 D1041 K1047	Y1025-V1043 HydrophobicContact CD1-CG2 4.18Å; Y1025-V1043 HydrophobicContact CE1-CG2 3.59Å; L1028-V1043 HydrophobicContact CD1-CG2 4.34Å; I1039-V1043 PolarHBondContact O-N 2.7Å; E1040-V1043 PolarHBondContact O-N 2.86Å; E1040-V1043 VanDerWaalsContact O-N 3.14Å; D1041-V1043 VanDerWaalsContact C-N 3.31Å; D1041-V1043 PolarHBondContact O-N 2.86Å; V1043-K1047 WeakPolarHBondContact O-CD 3.43Å; V1043-K1047 VanDerWaalsContact O-CG 3.23Å; V1043-K1047 WeakPolarHBondContact O-CG 3.5Å; V1043-K1047 PolarHBondContact O-N 3.36Å
1044	E	91.4	Very high	90.7	Very high	102 Å²	102	64.2 Å²	64.2	48%	0.477	30%	0.301	S	S	.	.	H	α-helix	trans	-65.6	-42.2	170.5	-76.9	-132.9	161.2	0	0	112.8	E1040 D1041 K1047 K1048	E1040-E1044 PolarHBondContact O-N 2.97Å; D1041-E1044 PolarHBondContact O-N 3.05Å; E1044-K1047 PolarHBondContact O-N 3.31Å; E1044-K1048 WeakPolarHBondContact O-CD 3.36Å; E1044-K1048 VanDerWaalsContact O-CG 3.22Å; E1044-K1048 WeakPolarHBondContact O-CG 3.22Å; E1044-K1048 PolarHBondContact O-N 2.97Å; E1044-K1048 WeakPolarHBondContact OE2-CE 3.41Å; E1044-K1048 IonicContact OE2-NZ 3.8Å; E1044-K1048 PolarHBondContact OE2-NZ 3.36Å
1045	K	92.3	Very high	90.6	Very high	55 Å²	55	64.6 Å²	64.6	24%	0.239	31%	0.305	C	S	.	.	H	α-helix	trans	-70	-40.2	-177.6	-172.2	164.7	171.6	175.1	0	111.8	D1031 A1032 R1034 V1036 D1041 V1042 K1048 M1049	D1031-K1045 VanDerWaalsContact O-CE 3.28Å; D1031-K1045 WeakPolarHBondContact O-CE 3.46Å; D1031-K1045 PolarHBondContact O-NZ 3.15Å; A1032-K1045 HydrophobicContact CB-CB 4.46Å; A1032-K1045 HydrophobicContact CB-CG 4.46Å; R1034-K1045 PolarHBondContact O-NZ 2.67Å; V1036-K1045 HydrophobicContact CG1-CD 3.79Å; D1041-K1045 WeakPolarHBondContact O-CB 3.07Å; D1041-K1045 PolarHBondContact O-N 3.09Å; V1042-K1045 PolarHBondContact O-N 3.31Å; K1045-K1048 CarbonylContact O-C 3.53Å; K1045-K1048 PolarHBondContact O-N 3.27Å; K1045-M1049 HydrophobicContact CG-SD 4.21Å; K1045-M1049 VanDerWaalsContact O-CG 3.28Å; K1045-M1049 WeakPolarHBondContact O-CG 3.07Å; K1045-M1049 PolarHBondContact O-N 3.3Å
1046	A	92	Very high	90.7	Very high	1 Å²	1	65.8 Å²	65.8	1%	0.008	31%	0.309	C	S	.	.	H	α-helix	trans	-57.8	-47.7	170.7	0	0	0	0	0	111.9	L1028 A1032 V1042 K1048 M1049 N1050 Y1051	L1028-A1046 HydrophobicContact CD1-CB 4.14Å; L1028-A1046 HydrophobicContact CD2-CB 3.92Å; L1028-A1046 HydrophobicContact CG-CB 4.44Å; A1032-A1046 HydrophobicContact CB-CB 4.15Å; V1042-A1046 WeakPolarHBondContact O-CB 3.44Å; V1042-A1046 PolarHBondContact O-N 2.83Å; A1046-K1048 VanDerWaalsContact C-N 3.32Å; A1046-K1048 PolarHBondContact O-N 2.68Å; A1046-M1049 CarbonylContact O-C 3.5Å; A1046-M1049 WeakPolarHBondContact O-CA 3.36Å; A1046-M1049 WeakPolarHBondContact O-CB 3.23Å; A1046-M1049 PolarHBondContact O-N 3.22Å; A1046-N1050 PolarHBondContact O-N 2.73Å; A1046-N1050 VanDerWaalsContact O-N 3.1Å; A1046-Y1051 CarbonylContact C-O 3.58Å; A1046-Y1051 PolarHBondContact O-N 3.2Å
1047	K	91.2	Very high	90.6	Very high	135 Å²	135	69.7 Å²	69.7	59%	0.587	33%	0.327	S	S	*	.	H	α-helix	trans	-58.6	-41.9	174.1	-70.4	164	-172.5	165.2	0	112.3	V1043 E1044 M1049 N1050 Y1051	V1043-K1047 WeakPolarHBondContact O-CD 3.43Å; V1043-K1047 VanDerWaalsContact O-CG 3.23Å; V1043-K1047 WeakPolarHBondContact O-CG 3.5Å; V1043-K1047 PolarHBondContact O-N 3.36Å; E1044-K1047 PolarHBondContact O-N 3.31Å; K1047-M1049 PolarHBondContact O-N 2.89Å; K1047-N1050 PolarHBondContact O-N 2.64Å; K1047-Y1051 WeakPolarHBondContact CA-O 3.36Å; K1047-Y1051 PolarHBondContact N-O 2.95Å
1048	K	89.4	Confident	90.5	Very high	148 Å²	148	74.7 Å²	74.7	64%	0.643	35%	0.351	S	S	*	.	H	α-helix	trans	-65.6	-22	174.8	-67.9	159.4	-166.7	166.8	0	112.4	E1044 K1045 A1046	E1044-K1048 WeakPolarHBondContact O-CD 3.36Å; E1044-K1048 VanDerWaalsContact O-CG 3.22Å; E1044-K1048 WeakPolarHBondContact O-CG 3.22Å; E1044-K1048 PolarHBondContact O-N 2.97Å; E1044-K1048 WeakPolarHBondContact OE2-CE 3.41Å; E1044-K1048 IonicContact OE2-NZ 3.8Å; E1044-K1048 PolarHBondContact OE2-NZ 3.36Å; K1045-K1048 CarbonylContact O-C 3.53Å; K1045-K1048 PolarHBondContact O-N 3.27Å; A1046-K1048 VanDerWaalsContact C-N 3.32Å; A1046-K1048 PolarHBondContact O-N 2.68Å
1049	M	87.9	Confident	90.2	Very high	71 Å²	71	78.2 Å²	78.2	35%	0.35	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-2.1	172.2	-66.5	166.7	66.5	0	0	113.7	P1029 D1031 A1032 K1045 A1046 K1047 Y1051	P1029-M1049 HydrophobicContact CB-CE 4.15Å; P1029-M1049 HydrophobicContact CG-CE 3.78Å; P1029-M1049 HydrophobicContact CG-SD 4.35Å; D1031-M1049 HydrophobicContact CB-CE 4.34Å; A1032-M1049 HydrophobicContact CB-SD 4.27Å; K1045-M1049 HydrophobicContact CG-SD 4.21Å; K1045-M1049 VanDerWaalsContact O-CG 3.28Å; K1045-M1049 WeakPolarHBondContact O-CG 3.07Å; K1045-M1049 PolarHBondContact O-N 3.3Å; A1046-M1049 CarbonylContact O-C 3.5Å; A1046-M1049 WeakPolarHBondContact O-CA 3.36Å; A1046-M1049 WeakPolarHBondContact O-CB 3.23Å; A1046-M1049 PolarHBondContact O-N 3.22Å; K1047-M1049 PolarHBondContact O-N 2.89Å; M1049-Y1051 HydrophobicContact CB-CD2 3.9Å; M1049-Y1051 HydrophobicContact CB-CE2 4.31Å
1050	N	85.3	Confident	89.9	Confident	153 Å²	153	84.7 Å²	84.7	82%	0.818	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	39.7	-173.9	-45.9	-88.6	0	0	0	115	A1046 K1047	A1046-N1050 PolarHBondContact O-N 2.73Å; A1046-N1050 VanDerWaalsContact O-N 3.1Å; K1047-N1050 PolarHBondContact O-N 2.64Å
1051	Y	76.5	Confident	89.6	Confident	181 Å²	181	84.8 Å²	84.8	71%	0.71	39%	0.393	S	S	*	.			trans	-109.5	0	166.1	-69	-104.9	0	0	0	109.9	P1029 A1046 K1047 M1049	P1029-Y1051 HydrophobicContact CB-CE1 4.22Å; P1029-Y1051 HydrophobicContact CB-CE2 4.29Å; P1029-Y1051 HydrophobicContact CG-CD1 4.09Å; P1029-Y1051 HydrophobicContact CG-CD2 3.76Å; P1029-Y1051 HydrophobicContact CG-CE1 4.24Å; P1029-Y1051 HydrophobicContact CG-CE2 3.94Å; P1029-Y1051 HydrophobicContact CG-CG 3.86Å; A1046-Y1051 CarbonylContact C-O 3.58Å; A1046-Y1051 PolarHBondContact O-N 3.2Å; K1047-Y1051 WeakPolarHBondContact CA-O 3.36Å; K1047-Y1051 PolarHBondContact N-O 2.95Å; M1049-Y1051 HydrophobicContact CB-CD2 3.9Å; M1049-Y1051 HydrophobicContact CB-CE2 4.31Å

Retrieved 1,051 of 1,051 residues in 309.7 ms (Link to these results)

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