A0A087YH09_POEFO Loading...

Potassium voltage-gated channel subfamily B member 1

AlphaFold DB , UniProt , Accession A0A087YH09, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 828 aa.

						>A0A087YH09_POEFO|A0A087YH09
MEKSLDLNKAGSRSTSSLPPEPLDIIRSKSCYRRVRLNVGGLPHEVLWRTLDRLPRTRLGKLRDCNSHDSLMEVCDDYNLEENEYFFDRHPGAFTSILNFYRTGKLHMMEEMCALSFSQELDYWGIDEIYLESCCQARYHQKKEQMNEELKREADNLKDREGEEFDNTCCAEKRKKLWDLLEKPSSSVAAKILAIISILFIVLSTIALSLNTLPELQGTDEFGQSTDNPQLAHVEAVCIAWFTMEYLLRFLSSPNKWKFFKGPLNVIDLLAILPYYVTIFLTESNKSVLQFQNVRRVVQIFRIMRILRILKLARHSTGLQSLGFTLRRSYNELGLLILFLAMGIMIFSSLVFFAEKDEEDTKFKSIPASFWWATITMTTVGYGDIYPKTLLGKIVGGLCCIAGVLVIALPIPIIVNNFSEFYKEQKRQEKALKRREALERAKRNGSIVSMNLKEAFARSAELMDIVVEKSERPHDNHLSPSHWKWASKRAASETSSNRSFNAQEIGSPCKARDTSPQRLNVEKLEEMYSQMAKTQSQPNLNAKDRGSRVSKQRDEIELGAIHDHGPSVLGAKDGVGDMKSLSSIDSYISCATDFQENPRYPHSPAADIGLKESSRFTFGPVTVLSQHISKKIGHQIIGQHESVLSPGSKSSGPENTRRFLFSGNSSKSLKGGCRSDGDSGPSPLSDSSVVSDQSLLSPEASVYTTASSRTPPKSPDSTAMAPTVFTFHDASISKYIDADTDDDEHLRDITEASPSDRLLAGGSPKRSININYQRGTNHLETAQKMLGQNCYFPLEGIRGKPHENHIGPDPARRPKAERGRQNTLDKGL
					

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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	31.3	Very low	31.5	Very low	218 Å²	218	146.7 Å²	146.7	100%	1.074	80%	0.8	S	S	*	*				0	102	0	-70.9	171.9	160.4	0	0	105.7
2	E	31.8	Very low	31.6	Very low	142 Å²	142	144.2 Å²	144.2	66%	0.664	80%	0.801	S	S	*	*				82.3	137.5	80.1	-76.7	179	97.1	0	0	111.5
3	K	32	Very low	32.7	Very low	163 Å²	163	151.5 Å²	151.5	71%	0.709	81%	0.809	S	S	*	*			cis	-149.4	141.9	12.1	-129.6	-178.7	-178.8	93.6	0	112.5
4	S	30.6	Very low	33.2	Very low	80 Å²	80	147.8 Å²	147.8	56%	0.559	80%	0.801	S	S	*	*			trans	17.1	128.6	145.1	59.5	0	0	0	0	121
5	L	32	Very low	33.5	Very low	174 Å²	174	146.3 Å²	146.3	91%	0.911	80%	0.799	S	S	*	*			trans	-139.5	84	144.9	-105.3	173.1	0	0	0	108.6
6	D	30	Very low	34.4	Very low	139 Å²	139	145.1 Å²	145.1	74%	0.743	81%	0.805	S	S	*	*			trans	-76.1	126.1	179.5	-64.4	-73.5	0	0	0	111.1
7	L	33.5	Very low	35.5	Very low	167 Å²	167	142.2 Å²	142.2	87%	0.874	80%	0.796	S	S	*	*			trans	-96.1	115.8	173.2	-131.3	80	0	0	0	109.8	K9	L7-K9 PolarHBondContact O-N 3.42Å
8	N	28.3	Very low	37	Very low	160 Å²	160	142.7 Å²	142.7	86%	0.856	80%	0.796	S	S	*	*			trans	-62.8	104.3	179.4	-73.6	-45.9	0	0	0	111.9	A10	N8-A10 VanDerWaalsContact C-N 3.26Å; N8-A10 PolarHBondContact O-N 3.22Å
9	K	30.4	Very low	38.9	Very low	208 Å²	208	139.3 Å²	139.3	90%	0.904	78%	0.781	S	S	*	*			trans	-78.4	77.2	166.2	-166.9	-178.2	-179.6	-172.9	0	109.8	L7	L7-K9 PolarHBondContact O-N 3.42Å
10	A	31.4	Very low	40.8	Very low	84 Å²	84	134.5 Å²	134.5	69%	0.694	76%	0.756	S	S	*	*			trans	-61.9	143.6	173.9	0	0	0	0	0	111.3	N8 S12	N8-A10 VanDerWaalsContact C-N 3.26Å; N8-A10 PolarHBondContact O-N 3.22Å; A10-S12 PolarHBondContact O-N 3.22Å
11	G	35.3	Very low	42.7	Very low	79 Å²	79	133.9 Å²	133.9	81%	0.814	75%	0.747	S	S	*	*			trans	-69.1	119.9	-174.3	0	0	0	0	0	113.4	R13	G11-R13 VanDerWaalsContact C-N 3.3Å; G11-R13 PolarHBondContact O-N 2.95Å
12	S	32.3	Very low	45.2	Very low	116 Å²	116	126.7 Å²	126.7	81%	0.811	72%	0.716	S	S	*	*			trans	-80.3	64.2	-178.3	53.4	0	0	0	0	113.1	A10 S14	A10-S12 PolarHBondContact O-N 3.22Å; S12-S14 PolarHBondContact O-N 2.65Å
13	R	46.3	Very low	47.6	Very low	240 Å²	240	125.2 Å²	125.2	91%	0.906	71%	0.712	S	S	*	*			trans	-81.4	61.8	176.6	-151.9	177.3	-162.2	-176.3	6.3	111.9	G11	G11-R13 VanDerWaalsContact C-N 3.3Å; G11-R13 PolarHBondContact O-N 2.95Å
14	S	39.3	Very low	50	Low	99 Å²	99	120.4 Å²	120.4	69%	0.692	70%	0.695	S	S	*	*			trans	-160.1	79.4	179.8	62.9	0	0	0	0	114.8	S12	S12-S14 PolarHBondContact O-N 2.65Å
15	T	37.4	Very low	52.6	Low	125 Å²	125	116.6 Å²	116.6	77%	0.767	67%	0.668	S	S	*	*			trans	-136.9	147.1	136.6	55.5	0	0	0	0	109	S17	T15-S17 PolarHBondContact O-N 3.29Å
16	S	48.3	Very low	55	Low	128 Å²	128	111.5 Å²	111.5	90%	0.895	64%	0.641	S	S	*	*			trans	-83.7	74.7	162.1	55.6	0	0	0	0	108
17	S	53.7	Low	57.6	Low	95 Å²	95	111.7 Å²	111.7	66%	0.664	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-65	142.3	173.8	43.3	0	0	0	0	110.3	T15	T15-S17 PolarHBondContact O-N 3.29Å
18	L	61.8	Low	59.9	Low	152 Å²	152	104.3 Å²	104.3	80%	0.796	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-63.5	152.1	158.1	-68.7	166.9	0	0	0	108.2
19	P	72.9	Confident	62.5	Low	77 Å²	77	97.8 Å²	97.8	50%	0.5	56%	0.558	S	S	.	*	P	Polyproline II helix	trans	-54.7	134.5	173.9	24.1	-33.9	0	0	0	109.4	H68	P19-H68 HydrophobicContact CB-CB 3.85Å
20	P	77.2	Confident	64.9	Low	43 Å²	43	92.5 Å²	92.5	28%	0.279	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-62.4	142	-173.1	25.6	-34.3	0	0	0	110.5	I25 Y78 L80	P20-I25 HydrophobicContact CG-CD1 4.43Å; P20-I25 HydrophobicContact CG-CG1 4.38Å; P20-Y78 HydrophobicContact CG-CE2 4.3Å; P20-Y78 VanDerWaalsContact CG-OH 3.3Å; P20-Y78 WeakPolarHBondContact CG-OH 3.23Å; P20-L80 HydrophobicContact CB-CD1 3.79Å; P20-L80 HydrophobicContact CG-CD1 3.77Å
21	E	80.8	Confident	67.3	Low	123 Å²	123	92.9 Å²	92.9	58%	0.575	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-63.5	148.7	-176.9	-72.4	-157.2	167.9	0	0	111.3	L23 D24 I25	E21-L23 PolarHBondContact O-N 3.01Å; E21-D24 PolarHBondContact O-N 3.36Å; E21-I25 PolarHBondContact O-N 2.69Å
22	P	84.1	Confident	69.5	Low	66 Å²	66	93.9 Å²	93.9	43%	0.429	52%	0.523	S	S	.	.	H	α-helix	trans	-49.5	-33.8	175.6	-31.4	37.6	0	0	0	113.8	D24 I25 I26 N66	P22-D24 VanDerWaalsContact C-N 3.34Å; P22-D24 PolarHBondContact O-N 3.35Å; P22-I25 PolarHBondContact O-N 2.87Å; P22-I26 WeakPolarHBondContact O-CB 3.35Å; P22-I26 WeakPolarHBondContact O-CD1 3.33Å; P22-I26 WeakPolarHBondContact O-CG1 3.25Å; P22-I26 PolarHBondContact O-N 3.41Å; P22-N66 VanDerWaalsContact CA-O 3.27Å; P22-N66 WeakPolarHBondContact CA-O 3.43Å; P22-N66 VanDerWaalsContact CB-O 3.29Å; P22-N66 WeakPolarHBondContact CB-O 3.3Å
23	L	81.9	Confident	72.2	Confident	111 Å²	111	94.9 Å²	94.9	58%	0.581	51%	0.509	S	S	*	.	H	α-helix	trans	-65	-33.4	178.1	-63.3	178.2	0	0	0	113.4	E21 R27	E21-L23 PolarHBondContact O-N 3.01Å; L23-R27 VanDerWaalsContact O-CB 3.22Å; L23-R27 WeakPolarHBondContact O-CB 3.29Å; L23-R27 PolarHBondContact O-N 3.16Å
24	D	83	Confident	74.4	Confident	63 Å²	63	86.9 Å²	86.9	34%	0.337	48%	0.479	S	S	.	.	H	α-helix	trans	-79.9	-33.8	178.9	-64.4	-38.2	0	0	0	111.5	E21 P22 R27 S28	E21-D24 PolarHBondContact O-N 3.36Å; P22-D24 VanDerWaalsContact C-N 3.34Å; P22-D24 PolarHBondContact O-N 3.35Å; D24-R27 PolarHBondContact O-N 3.49Å; D24-R27 IonicContact OD1-CZ 3.53Å; D24-R27 IonicContact OD1-NH1 2.89Å; D24-R27 PolarHBondContact OD1-NH1 3.33Å; D24-R27 IonicContact OD1-NH2 3.35Å; D24-R27 PolarHBondContact OD1-NH2 3.5Å; D24-R27 VanDerWaalsContact OD1-NH2 3.09Å; D24-S28 WeakPolarHBondContact O-CB 3.32Å; D24-S28 PolarHBondContact O-N 3.12Å
25	I	83.8	Confident	76.9	Confident	0 Å²	0	82.2 Å²	82.2	0%	0	45%	0.446	C	S	.	.	H	α-helix	trans	-62.1	-50.8	170.3	-63.1	168.3	0	0	0	110	P20 E21 P22 R27 S28 K29 L71 L80	P20-I25 HydrophobicContact CG-CD1 4.43Å; P20-I25 HydrophobicContact CG-CG1 4.38Å; E21-I25 PolarHBondContact O-N 2.69Å; P22-I25 PolarHBondContact O-N 2.87Å; I25-R27 VanDerWaalsContact C-N 3.33Å; I25-R27 PolarHBondContact O-N 3.23Å; I25-S28 PolarHBondContact O-N 3.45Å; I25-K29 HydrophobicContact CG2-CD 4.36Å; I25-K29 WeakPolarHBondContact O-CG 3.16Å; I25-K29 PolarHBondContact O-N 3.24Å; I25-L71 HydrophobicContact CD1-CD1 4.03Å; I25-L71 HydrophobicContact CG1-CD1 4.34Å; I25-L71 HydrophobicContact CG2-CD1 3.94Å; I25-L80 HydrophobicContact CG1-CD1 4.08Å; I25-L80 HydrophobicContact CG1-CD2 4.39Å
26	I	83.8	Confident	79.7	Confident	66 Å²	66	80.1 Å²	80.1	34%	0.338	42%	0.424	S	S	.	.	H	α-helix	trans	-60.5	-42.2	176.5	-67.6	162.8	0	0	0	110.7	P22 S30 N66	P22-I26 WeakPolarHBondContact O-CB 3.35Å; P22-I26 WeakPolarHBondContact O-CD1 3.33Å; P22-I26 WeakPolarHBondContact O-CG1 3.25Å; P22-I26 PolarHBondContact O-N 3.41Å; I26-S30 WeakPolarHBondContact O-CB 3.4Å; I26-S30 PolarHBondContact O-N 3.12Å; I26-S30 PolarHBondContact O-OG 3.41Å; I26-N66 HydrophobicContact CD1-CB 4.08Å; I26-N66 HydrophobicContact CG1-CB 3.85Å
27	R	83.5	Confident	82	Confident	143 Å²	143	74 Å²	74	54%	0.54	38%	0.382	S	S	.	.	H	α-helix	trans	-62.3	-50.1	177.6	-168.6	-173.9	-54.8	123.7	15.8	111.4	L23 D24 I25 K29 S30 C31	L23-R27 VanDerWaalsContact O-CB 3.22Å; L23-R27 WeakPolarHBondContact O-CB 3.29Å; L23-R27 PolarHBondContact O-N 3.16Å; D24-R27 PolarHBondContact O-N 3.49Å; D24-R27 IonicContact OD1-CZ 3.53Å; D24-R27 IonicContact OD1-NH1 2.89Å; D24-R27 PolarHBondContact OD1-NH1 3.33Å; D24-R27 IonicContact OD1-NH2 3.35Å; D24-R27 PolarHBondContact OD1-NH2 3.5Å; D24-R27 VanDerWaalsContact OD1-NH2 3.09Å; I25-R27 VanDerWaalsContact C-N 3.33Å; I25-R27 PolarHBondContact O-N 3.23Å; R27-K29 PolarHBondContact O-N 2.83Å; R27-S30 CarbonylContact O-C 3.59Å; R27-S30 PolarHBondContact O-N 2.95Å; R27-S30 VanDerWaalsContact O-N 3.08Å; R27-C31 PolarHBondContact O-N 2.81Å; R27-C31 PolarHBondContact O-SG 3.08Å
28	S	82.8	Confident	84	Confident	13 Å²	13	70.6 Å²	70.6	9%	0.091	36%	0.356	C	S	.	.	H	α-helix	trans	-56.7	-51.5	178.4	-177.2	0	0	0	0	110.9	D24 I25 S30 C31 Y32 L80	D24-S28 WeakPolarHBondContact O-CB 3.32Å; D24-S28 PolarHBondContact O-N 3.12Å; I25-S28 PolarHBondContact O-N 3.45Å; S28-S30 PolarHBondContact O-N 3.23Å; S28-C31 PolarHBondContact O-N 2.92Å; S28-Y32 WeakPolarHBondContact O-CD2 3.18Å; S28-Y32 PolarHBondContact O-N 3.47Å; S28-L80 PolarHBondContact OG-O 3.38Å
29	K	82.3	Confident	85.6	Confident	23 Å²	23	63.4 Å²	63.4	10%	0.1	32%	0.318	C	S	.	.	H	α-helix	trans	-55.4	-34.9	174.8	-73.5	-179.5	163.4	-175.7	0	114.2	I25 R27 W48 L62 R63 C65	I25-K29 HydrophobicContact CG2-CD 4.36Å; I25-K29 WeakPolarHBondContact O-CG 3.16Å; I25-K29 PolarHBondContact O-N 3.24Å; R27-K29 PolarHBondContact O-N 2.83Å; K29-W48 HydrophobicContact CB-CZ2 4.42Å; K29-W48 HydrophobicContact CD-CH2 4.41Å; K29-W48 HydrophobicContact CG-CH2 4.09Å; K29-W48 HydrophobicContact CG-CZ2 3.76Å; K29-L62 PolarHBondContact NZ-O 3.02Å; K29-R63 PolarHBondContact NZ-O 2.88Å; K29-C65 PolarHBondContact NZ-O 2.82Å
30	S	81	Confident	86.5	Confident	96 Å²	96	61.6 Å²	61.6	67%	0.671	31%	0.313	S	S	*	.	H	α-helix	trans	-79.2	-26	178.2	-55.1	0	0	0	0	113.4	I26 R27 S28	I26-S30 WeakPolarHBondContact O-CB 3.4Å; I26-S30 PolarHBondContact O-N 3.12Å; I26-S30 PolarHBondContact O-OG 3.41Å; R27-S30 CarbonylContact O-C 3.59Å; R27-S30 PolarHBondContact O-N 2.95Å; R27-S30 VanDerWaalsContact O-N 3.08Å; S28-S30 PolarHBondContact O-N 3.23Å
31	C	82.3	Confident	87.2	Confident	92 Å²	92	62 Å²	62	62%	0.622	33%	0.326	S	S	*	.	H	α-helix	trans	-80.5	-31.7	179.7	-73	0	0	0	0	113.3	R27 S28	R27-C31 PolarHBondContact O-N 2.81Å; R27-C31 PolarHBondContact O-SG 3.08Å; S28-C31 PolarHBondContact O-N 2.92Å
32	Y	82.2	Confident	87.9	Confident	101 Å²	101	60 Å²	60	40%	0.396	32%	0.319	S	S	.	.			trans	-104.6	120.2	-177.2	-61.3	-78	0	0	0	112.4	S28 R34 W48 E81 N83	S28-Y32 WeakPolarHBondContact O-CD2 3.18Å; S28-Y32 PolarHBondContact O-N 3.47Å; Y32-R34 WeakPolarHBondContact CB-O 3.42Å; Y32-R34 PolarHBondContact O-N 2.89Å; Y32-W48 PolarHBondContact O-NE1 2.71Å; Y32-E81 PolarHBondContact OH-O 3.08Å; Y32-N83 WeakPolarHBondContact CB-ND2 3.48Å; Y32-N83 HydrophobicContact CD2-CB 3.6Å; Y32-N83 HydrophobicContact CE2-CB 3.95Å; Y32-N83 HydrophobicContact CG-CB 3.94Å
33	R	87.9	Confident	88.3	Confident	136 Å²	136	60.4 Å²	60.4	51%	0.513	32%	0.322	S	S	.	.	S	Bend	trans	-66.8	-26.7	173.1	-161.5	-168	164.1	-175	-8.7	112.8	L47 W48 D741	R33-L47 HydrophobicContact CG-CD2 3.91Å; R33-L47 WeakPolarHBondContact O-CD2 3.35Å; R33-W48 PolarHBondContact O-N 2.94Å; R33-D741 IonicContact CZ-OD1 2.73Å; R33-D741 IonicContact CZ-OD2 3.21Å; R33-D741 IonicContact NH1-OD2 2.72Å; R33-D741 PolarHBondContact NH1-OD2 3.17Å; R33-D741 IonicContact NH2-OD1 3.51Å; R33-D741 PolarHBondContact NH2-OD1 2.72Å; R33-D741 IonicContact NH2-OD2 3.32Å; R33-D741 PolarHBondContact NH2-OD2 3.36Å
34	R	91.9	Very high	88.9	Confident	73 Å²	73	56.4 Å²	56.4	28%	0.275	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	152.3	-178.7	-69	172.4	-170.9	-102.3	-3.5	111	Y32 E45 V46 L47 N83 D737	Y32-R34 WeakPolarHBondContact CB-O 3.42Å; Y32-R34 PolarHBondContact O-N 2.89Å; R34-E45 HydrophobicContact CB-CG 4.01Å; R34-E45 WeakPolarHBondContact CB-OE1 3.25Å; R34-E45 WeakPolarHBondContact CD-OE1 3.4Å; R34-E45 HydrophobicContact CG-CG 4.39Å; R34-V46 CarbonylContact C-O 3.51Å; R34-V46 VanDerWaalsContact CA-O 3.23Å; R34-V46 WeakPolarHBondContact CA-O 3.44Å; R34-L47 HydrophobicContact CG-CD2 3.57Å; R34-N83 PolarHBondContact O-ND2 2.79Å; R34-D737 IonicContact CZ-OD1 3.86Å; R34-D737 IonicContact CZ-OD2 3.62Å; R34-D737 IonicContact NH1-OD1 2.72Å; R34-D737 PolarHBondContact NH1-OD1 2.82Å; R34-D737 IonicContact NH1-OD2 3.2Å; R34-D737 VanDerWaalsContact NH2-CG 3.25Å; R34-D737 IonicContact NH2-OD1 2.63Å; R34-D737 PolarHBondContact NH2-OD1 2.97Å; R34-D737 IonicContact NH2-OD2 2.75Å; R34-D737 PolarHBondContact NH2-OD2 2.69Å
35	V	93.5	Very high	89.4	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	143.6	173.2	57.6	0	0	0	0	110.3	L37 V46 W48 L51 Y85	V35-L37 HydrophobicContact CG1-CD2 4.44Å; V35-L37 HydrophobicContact CG2-CD2 4.03Å; V35-V46 HydrophobicContact CG1-CG2 3.5Å; V35-V46 VanDerWaalsContact CG1-CG2 3.5Å; V35-V46 PolarHBondContact N-O 3.43Å; V35-V46 PolarHBondContact O-N 3.4Å; V35-W48 HydrophobicContact CB-CD2 4.02Å; V35-W48 HydrophobicContact CB-CE3 4.3Å; V35-W48 HydrophobicContact CB-CH2 3.93Å; V35-W48 HydrophobicContact CB-CZ2 3.63Å; V35-W48 HydrophobicContact CB-CZ3 4.25Å; V35-W48 HydrophobicContact CG1-CD2 3.91Å; V35-W48 HydrophobicContact CG1-CE3 3.91Å; V35-W48 HydrophobicContact CG1-CG 4.5Å; V35-W48 HydrophobicContact CG1-CH2 4.29Å; V35-W48 HydrophobicContact CG1-CZ2 4.3Å; V35-W48 HydrophobicContact CG1-CZ3 4.09Å; V35-W48 HydrophobicContact CG2-CH2 3.67Å; V35-W48 HydrophobicContact CG2-CZ2 3.72Å; V35-W48 HydrophobicContact CG2-CZ3 4.21Å; V35-L51 HydrophobicContact CG1-CD1 4.29Å; V35-Y85 HydrophobicContact CG2-CD2 3.42Å; V35-Y85 VanDerWaalsContact CG2-CD2 3.42Å; V35-Y85 HydrophobicContact CG2-CE2 3.49Å; V35-Y85 VanDerWaalsContact CG2-CE2 3.49Å
36	R	94.9	Very high	89.9	Confident	81 Å²	81	56.4 Å²	56.4	31%	0.306	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	125.1	172.6	-65	175.8	-178.4	157.1	-2.9	109.6	H44 E82 N83 E84 Y85	R36-H44 WeakPolarHBondContact CA-O 3.07Å; R36-E82 IonicContact CZ-OE2 3.73Å; R36-E82 PolarHBondContact NH1-O 2.61Å; R36-E82 IonicContact NH1-OE2 2.67Å; R36-E82 PolarHBondContact NH1-OE2 2.79Å; R36-E82 IonicContact NH2-OE2 3.93Å; R36-N83 PolarHBondContact N-O 2.77Å; R36-E84 HydrophobicContact CB-CB 4.19Å; R36-E84 HydrophobicContact CB-CG 4.25Å; R36-E84 WeakPolarHBondContact O-CA 3.26Å; R36-Y85 PolarHBondContact O-N 3.44Å
37	L	96.1	Very high	90.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	104.2	176.3	-54.7	177.1	0	0	0	107.1	V35 H44 V46 L59 L62 F87 F94	V35-L37 HydrophobicContact CG1-CD2 4.44Å; V35-L37 HydrophobicContact CG2-CD2 4.03Å; L37-H44 PolarHBondContact N-O 3.43Å; L37-H44 PolarHBondContact O-N 2.94Å; L37-V46 HydrophobicContact CD1-CG2 3.91Å; L37-V46 HydrophobicContact CG-CG2 4.35Å; L37-L59 HydrophobicContact CD1-CD1 3.97Å; L37-L59 HydrophobicContact CD1-CD2 3.99Å; L37-L59 HydrophobicContact CD2-CD2 4.38Å; L37-L62 HydrophobicContact CD2-CD2 3.6Å; L37-F87 HydrophobicContact CB-CE2 4.48Å; L37-F87 HydrophobicContact CD2-CE2 4.11Å; L37-F94 HydrophobicContact CB-CE1 4.47Å; L37-F94 HydrophobicContact CB-CZ 4.25Å; L37-F94 HydrophobicContact CD1-CZ 3.99Å
38	N	95.8	Very high	90.8	Very high	24 Å²	24	47.3 Å²	47.3	13%	0.128	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	111.9	-179.9	-176.3	-20	0	0	0	109.1	G41 L42 E84 Y85 F86 F87	N38-G41 WeakPolarHBondContact OD1-CA 3.5Å; N38-G41 PolarHBondContact OD1-N 3.45Å; N38-G41 VanDerWaalsContact OD1-N 3.11Å; N38-L42 WeakPolarHBondContact CA-O 3.29Å; N38-L42 PolarHBondContact OD1-N 3.04Å; N38-E84 HydrophobicContact CB-CG 4.06Å; N38-E84 VanDerWaalsContact CB-OE1 3.26Å; N38-E84 WeakPolarHBondContact CB-OE1 3.16Å; N38-E84 PolarHBondContact ND2-OE1 2.8Å; N38-Y85 PolarHBondContact N-O 3.48Å; N38-F86 HydrophobicContact CB-CD2 4.12Å; N38-F86 CarbonylContact O-C 3.53Å; N38-F86 WeakPolarHBondContact O-CA 3.35Å; N38-F87 PolarHBondContact O-N 3.34Å
39	V	96.4	Very high	91.2	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	113.6	-175.2	-172.9	0	0	0	0	109	G41 L42 F87 R89 P91 F94 W124	V39-G41 PolarHBondContact O-N 3.14Å; V39-G41 VanDerWaalsContact O-N 3.16Å; V39-L42 PolarHBondContact N-O 3.46Å; V39-L42 PolarHBondContact O-N 3.2Å; V39-F87 WeakPolarHBondContact CA-O 3.43Å; V39-F87 HydrophobicContact CG1-CB 4.44Å; V39-F87 HydrophobicContact CG2-CB 4.29Å; V39-F87 HydrophobicContact CG2-CD2 4.11Å; V39-R89 HydrophobicContact CG1-CB 3.89Å; V39-P91 WeakPolarHBondContact O-CB 3.3Å; V39-F94 HydrophobicContact CB-CB 4.3Å; V39-F94 HydrophobicContact CB-CD1 4.22Å; V39-F94 HydrophobicContact CB-CG 4.12Å; V39-F94 HydrophobicContact CG1-CB 3.94Å; V39-F94 HydrophobicContact CG1-CD2 4.36Å; V39-F94 HydrophobicContact CG1-CG 4.1Å; V39-F94 HydrophobicContact CG2-CB 4.43Å; V39-F94 HydrophobicContact CG2-CD1 3.69Å; V39-F94 HydrophobicContact CG2-CD2 3.86Å; V39-F94 HydrophobicContact CG2-CE1 3.78Å; V39-F94 HydrophobicContact CG2-CE2 3.93Å; V39-F94 HydrophobicContact CG2-CG 3.72Å; V39-F94 HydrophobicContact CG2-CZ 3.89Å; V39-W124 HydrophobicContact CG1-CZ2 4.2Å; V39-W124 HydrophobicContact CG2-CH2 4.28Å
40	G	92.7	Very high	91.7	Very high	39 Å²	39	50 Å²	50	40%	0.402	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	26.6	-178.2	0	0	0	0	0	114.3	F87 R89	G40-F87 PolarHBondContact N-O 3.5Å; G40-R89 WeakPolarHBondContact CA-O 3.25Å; G40-R89 PolarHBondContact N-O 3.41Å
41	G	91.1	Very high	92.2	Very high	53 Å²	53	45.4 Å²	45.4	55%	0.546	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	93	-2.3	-175.9	0	0	0	0	0	115.2	N38 V39 P43	N38-G41 WeakPolarHBondContact OD1-CA 3.5Å; N38-G41 PolarHBondContact OD1-N 3.45Å; N38-G41 VanDerWaalsContact OD1-N 3.11Å; V39-G41 PolarHBondContact O-N 3.14Å; V39-G41 VanDerWaalsContact O-N 3.16Å; G41-P43 WeakPolarHBondContact O-CD 3.33Å
42	L	94.4	Very high	92.6	Very high	80 Å²	80	44.4 Å²	44.4	42%	0.419	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	112.5	176.4	-172.4	62.9	0	0	0	110.7	N38 V39 H44 P91	N38-L42 WeakPolarHBondContact CA-O 3.29Å; N38-L42 PolarHBondContact OD1-N 3.04Å; V39-L42 PolarHBondContact N-O 3.46Å; V39-L42 PolarHBondContact O-N 3.2Å; L42-H44 WeakPolarHBondContact CD2-NE2 3.24Å; L42-H44 PolarHBondContact O-CD2 3Å; L42-H44 VanDerWaalsContact O-CD2 3.23Å; L42-P91 HydrophobicContact CB-CB 3.83Å; L42-P91 HydrophobicContact CD2-CB 3.83Å; L42-P91 HydrophobicContact CG-CB 4.5Å
43	P	93.8	Very high	93	Very high	75 Å²	75	45.8 Å²	45.8	49%	0.487	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	126.4	177.9	30.1	-34.1	0	0	0	112.1	G41	G41-P43 WeakPolarHBondContact O-CD 3.33Å
44	H	94.4	Very high	93.2	Very high	27 Å²	27	41 Å²	41	13%	0.125	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	124.3	173.4	-61.7	-90.4	0	0	0	110.4	R36 L37 L42 F94 L98	R36-H44 WeakPolarHBondContact CA-O 3.07Å; L37-H44 PolarHBondContact N-O 3.43Å; L37-H44 PolarHBondContact O-N 2.94Å; L42-H44 WeakPolarHBondContact CD2-NE2 3.24Å; L42-H44 PolarHBondContact O-CD2 3Å; L42-H44 VanDerWaalsContact O-CD2 3.23Å; H44-F94 HydrophobicContact CB-CE1 4.06Å; H44-F94 AromaticContact CD2-CD1 3.49Å; H44-F94 VanDerWaalsContact CD2-CD1 3.49Å; H44-F94 WeakPolarHBondContact CD2-CD1 3.28Å; H44-F94 AromaticContact CD2-CE1 3.7Å; H44-F94 AromaticContact CG-CD1 3.95Å; H44-F94 AromaticContact CG-CE1 3.86Å; H44-F94 AromaticContact NE2-CD1 3.61Å; H44-L98 HydrophobicContact CB-CD2 4.05Å
45	E	94.1	Very high	93.1	Very high	59 Å²	59	41.2 Å²	41.2	28%	0.276	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	133.9	176.3	-168.6	169.9	-171.1	0	0	111.8	R34 R102	R34-E45 HydrophobicContact CB-CG 4.01Å; R34-E45 WeakPolarHBondContact CB-OE1 3.25Å; R34-E45 WeakPolarHBondContact CD-OE1 3.4Å; R34-E45 HydrophobicContact CG-CG 4.39Å; E45-R102 PolarHBondContact O-NH2 3.15Å
46	V	94.1	Very high	93	Very high	3 Å²	3	51.9 Å²	51.9	2%	0.018	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	156.3	-177.9	-54.4	0	0	0	0	110.9	R34 V35 L37 L51 L98	R34-V46 CarbonylContact C-O 3.51Å; R34-V46 VanDerWaalsContact CA-O 3.23Å; R34-V46 WeakPolarHBondContact CA-O 3.44Å; V35-V46 HydrophobicContact CG1-CG2 3.5Å; V35-V46 VanDerWaalsContact CG1-CG2 3.5Å; V35-V46 PolarHBondContact N-O 3.43Å; V35-V46 PolarHBondContact O-N 3.4Å; L37-V46 HydrophobicContact CD1-CG2 3.91Å; L37-V46 HydrophobicContact CG-CG2 4.35Å; V46-L51 HydrophobicContact CG2-CD2 4.27Å; V46-L98 HydrophobicContact CG1-CD1 3.49Å; V46-L98 VanDerWaalsContact CG1-CD1 3.49Å; V46-L98 HydrophobicContact CG1-CD2 4.07Å; V46-L98 HydrophobicContact CG1-CG 4.43Å
47	L	93.6	Very high	92.9	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	146.1	166.3	-65.3	179.6	0	0	0	111	R33 R34 R49 T50 D739	R33-L47 HydrophobicContact CG-CD2 3.91Å; R33-L47 WeakPolarHBondContact O-CD2 3.35Å; R34-L47 HydrophobicContact CG-CD2 3.57Å; L47-R49 HydrophobicContact CB-CG 3.88Å; L47-R49 HydrophobicContact CD1-CG 4.01Å; L47-R49 VanDerWaalsContact CD1-CZ 3.43Å; L47-R49 VanDerWaalsContact CD1-NE 3.31Å; L47-R49 PolarHBondContact O-N 3.03Å; L47-T50 WeakPolarHBondContact O-CB 3.48Å; L47-T50 PolarHBondContact O-N 3.02Å; L47-D739 HydrophobicContact CD1-CB 3.66Å; L47-D739 VanDerWaalsContact CD1-CG 3.46Å; L47-D739 WeakPolarHBondContact CD1-OD1 3.36Å; L47-D739 HydrophobicContact CG-CB 4.19Å
48	W	91.5	Very high	92.8	Very high	16 Å²	16	51.3 Å²	51.3	6%	0.061	26%	0.262	C	S	.	.	H	α-helix	trans	-57.5	-31	172.1	-73.3	115.2	0	0	0	112.8	K29 Y32 R33 V35 T50 L51 L62 R63 Y85	K29-W48 HydrophobicContact CB-CZ2 4.42Å; K29-W48 HydrophobicContact CD-CH2 4.41Å; K29-W48 HydrophobicContact CG-CH2 4.09Å; K29-W48 HydrophobicContact CG-CZ2 3.76Å; Y32-W48 PolarHBondContact O-NE1 2.71Å; R33-W48 PolarHBondContact O-N 2.94Å; V35-W48 HydrophobicContact CB-CD2 4.02Å; V35-W48 HydrophobicContact CB-CE3 4.3Å; V35-W48 HydrophobicContact CB-CH2 3.93Å; V35-W48 HydrophobicContact CB-CZ2 3.63Å; V35-W48 HydrophobicContact CB-CZ3 4.25Å; V35-W48 HydrophobicContact CG1-CD2 3.91Å; V35-W48 HydrophobicContact CG1-CE3 3.91Å; V35-W48 HydrophobicContact CG1-CG 4.5Å; V35-W48 HydrophobicContact CG1-CH2 4.29Å; V35-W48 HydrophobicContact CG1-CZ2 4.3Å; V35-W48 HydrophobicContact CG1-CZ3 4.09Å; V35-W48 HydrophobicContact CG2-CH2 3.67Å; V35-W48 HydrophobicContact CG2-CZ2 3.72Å; V35-W48 HydrophobicContact CG2-CZ3 4.21Å; W48-T50 PolarHBondContact O-N 3.07Å; W48-L51 HydrophobicContact CE3-CD1 4.04Å; W48-L51 HydrophobicContact CZ3-CD1 4.2Å; W48-L51 PolarHBondContact O-N 3.26Å; W48-L62 HydrophobicContact CZ3-CG 4.49Å; W48-R63 HydrophobicContact CE3-CB 4.13Å; W48-R63 HydrophobicContact CE3-CG 4.2Å; W48-R63 HydrophobicContact CZ3-CB 4.3Å; W48-R63 PolarHBondContact O-NH1 2.91Å; W48-Y85 AromaticContact CH2-CE2 3.8Å; W48-Y85 HydrophobicContact CH2-CE2 3.8Å; W48-Y85 HydrophobicContact CZ2-CE2 4.13Å
49	R	91.3	Very high	92.8	Very high	91 Å²	91	50.1 Å²	50.1	34%	0.343	26%	0.256	S	S	.	.	H	α-helix	trans	-63.1	-22.8	176	76.9	173.1	178.9	-149.9	-7.2	113.6	L47 L51 D739 D741	L47-R49 HydrophobicContact CB-CG 3.88Å; L47-R49 HydrophobicContact CD1-CG 4.01Å; L47-R49 VanDerWaalsContact CD1-CZ 3.43Å; L47-R49 VanDerWaalsContact CD1-NE 3.31Å; L47-R49 PolarHBondContact O-N 3.03Å; R49-L51 VanDerWaalsContact C-N 3.27Å; R49-D739 IonicContact CZ-OD1 2.73Å; R49-D739 IonicContact NE-OD1 2.77Å; R49-D739 PolarHBondContact NE-OD1 2.89Å; R49-D739 PolarHBondContact NH2-O 2.95Å; R49-D739 IonicContact NH2-OD1 2.78Å; R49-D739 PolarHBondContact NH2-OD1 3.5Å; R49-D741 IonicContact CZ-OD1 3.34Å; R49-D741 IonicContact NH1-OD1 3.03Å; R49-D741 PolarHBondContact NH1-OD1 3.22Å; R49-D741 IonicContact NH2-OD1 2.7Å; R49-D741 PolarHBondContact NH2-OD1 3.46Å
50	T	92.5	Very high	92.6	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.006	26%	0.258	C	S	.	.	H	α-helix	trans	-76.7	-22	-179	-54.8	0	0	0	0	110.7	L47 W48 R102 D739	L47-T50 WeakPolarHBondContact O-CB 3.48Å; L47-T50 PolarHBondContact O-N 3.02Å; W48-T50 PolarHBondContact O-N 3.07Å; T50-R102 HydrophobicContact CG2-CG 4.14Å; T50-D739 PolarHBondContact OG1-OD2 3.08Å
51	L	92.6	Very high	92.5	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-82.8	-29.6	174.8	-51.2	-170.4	0	0	0	112.8	V35 V46 W48 R49 R53 L54 L59 Y101	V35-L51 HydrophobicContact CG1-CD1 4.29Å; V46-L51 HydrophobicContact CG2-CD2 4.27Å; W48-L51 HydrophobicContact CE3-CD1 4.04Å; W48-L51 HydrophobicContact CZ3-CD1 4.2Å; W48-L51 PolarHBondContact O-N 3.26Å; R49-L51 VanDerWaalsContact C-N 3.27Å; L51-R53 PolarHBondContact O-N 3.29Å; L51-R53 VanDerWaalsContact O-N 3.09Å; L51-L54 PolarHBondContact O-N 3.3Å; L51-L59 HydrophobicContact CD1-CB 4.39Å; L51-L59 HydrophobicContact CD2-CB 3.98Å; L51-L59 HydrophobicContact CD2-CD1 4.15Å; L51-Y101 HydrophobicContact CD2-CD1 4.31Å
52	D	89.8	Confident	92.6	Very high	72 Å²	72	51.2 Å²	51.2	39%	0.385	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-29.5	175.3	-72.4	-26.6	0	0	0	113.5	L54 P55 R63	D52-L54 PolarHBondContact O-N 2.98Å; D52-L54 VanDerWaalsContact O-N 3.14Å; D52-P55 WeakPolarHBondContact O-CD 3.46Å; D52-R63 VanDerWaalsContact OD1-CD 3.28Å; D52-R63 WeakPolarHBondContact OD1-CD 3.46Å; D52-R63 IonicContact OD1-CZ 2.67Å; D52-R63 IonicContact OD1-NE 3.45Å; D52-R63 PolarHBondContact OD1-NE 3.46Å; D52-R63 IonicContact OD1-NH1 3.59Å; D52-R63 PolarHBondContact OD1-NH1 3.28Å; D52-R63 IonicContact OD1-NH2 2.67Å; D52-R63 PolarHBondContact OD1-NH2 3.06Å; D52-R63 VanDerWaalsContact OD1-NH2 3.09Å; D52-R63 IonicContact OD2-CZ 3.95Å; D52-R63 IonicContact OD2-NH1 2.59Å; D52-R63 PolarHBondContact OD2-NH1 2.82Å; D52-R63 IonicContact OD2-NH2 3.39Å; D52-R63 PolarHBondContact OD2-NH2 3.13Å
53	R	90.4	Very high	92.2	Very high	129 Å²	129	51.4 Å²	51.4	49%	0.487	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.4	-173.9	-64.9	175.5	172.8	-165.3	-2.1	113	L51 Y101 R102	L51-R53 PolarHBondContact O-N 3.29Å; L51-R53 VanDerWaalsContact O-N 3.09Å; R53-Y101 WeakPolarHBondContact CD-O 3.33Å; R53-Y101 PolarHBondContact NH1-O 3.44Å; R53-R102 VanDerWaalsContact NH1-C 3.34Å; R53-R102 PolarHBondContact NH1-O 2.86Å
54	L	91.8	Very high	91.9	Very high	36 Å²	36	53 Å²	53	19%	0.188	24%	0.235	C	C	.	.	S	Bend	trans	-139.6	67.3	-176.7	-64.1	172.1	0	0	0	110.3	L51 D52 R56 T57 F100 Y101	L51-L54 PolarHBondContact O-N 3.3Å; D52-L54 PolarHBondContact O-N 2.98Å; D52-L54 VanDerWaalsContact O-N 3.14Å; L54-R56 PolarHBondContact O-N 3.2Å; L54-T57 HydrophobicContact CB-CG2 3.78Å; L54-T57 HydrophobicContact CD1-CG2 4.5Å; L54-T57 PolarHBondContact O-N 2.81Å; L54-T57 PolarHBondContact O-OG1 3.22Å; L54-F100 HydrophobicContact CD1-CD1 3.5Å; L54-F100 HydrophobicContact CD1-CE1 3.34Å; L54-F100 HydrophobicContact CD1-CG 4.32Å; L54-F100 HydrophobicContact CD1-CZ 4.02Å; L54-F100 HydrophobicContact CD2-CE1 4.15Å; L54-F100 HydrophobicContact CD2-CZ 4.18Å; L54-F100 HydrophobicContact CG-CE1 4.41Å; L54-Y101 HydrophobicContact CB-CD1 4.11Å; L54-Y101 HydrophobicContact CB-CE1 3.78Å; L54-Y101 HydrophobicContact CD1-CD1 3.78Å; L54-Y101 HydrophobicContact CD1-CD2 4.35Å; L54-Y101 HydrophobicContact CD1-CE1 3.84Å; L54-Y101 HydrophobicContact CD1-CE2 4.36Å; L54-Y101 HydrophobicContact CD1-CG 4.04Å; L54-Y101 HydrophobicContact CG-CD1 4.26Å; L54-Y101 HydrophobicContact CG-CE1 4.32Å
55	P	90.8	Very high	91.6	Very high	77 Å²	77	52.4 Å²	52.4	50%	0.5	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-15.3	-165.9	28.7	-34.6	0	0	0	113.9	D52	D52-P55 WeakPolarHBondContact O-CD 3.46Å
56	R	90.1	Very high	91.3	Very high	224 Å²	224	53 Å²	53	85%	0.845	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-16.8	-179.3	-65.8	-176.6	177	179.8	-0.5	114.1	L54 K61	L54-R56 PolarHBondContact O-N 3.2Å; R56-K61 WeakPolarHBondContact O-CE 3.46Å
57	T	94.3	Very high	91	Very high	8 Å²	8	54.8 Å²	54.8	5%	0.049	25%	0.252	C	S	.	.	S	Bend	trans	-77.4	174.4	-177.7	67.7	0	0	0	0	111.7	L54 L59 G60 K61 Y101 W124 I126	L54-T57 HydrophobicContact CB-CG2 3.78Å; L54-T57 HydrophobicContact CD1-CG2 4.5Å; L54-T57 PolarHBondContact O-N 2.81Å; L54-T57 PolarHBondContact O-OG1 3.22Å; T57-L59 PolarHBondContact O-N 3.34Å; T57-G60 PolarHBondContact O-N 3.19Å; T57-G60 PolarHBondContact OG1-N 3.06Å; T57-K61 VanDerWaalsContact O-CG 3.3Å; T57-K61 WeakPolarHBondContact O-CG 3.42Å; T57-K61 PolarHBondContact O-N 2.66Å; T57-Y101 WeakPolarHBondContact CB-OH 3.27Å; T57-Y101 PolarHBondContact OG1-OH 3.12Å; T57-W124 VanDerWaalsContact CB-O 3.29Å; T57-W124 WeakPolarHBondContact CB-O 3.42Å; T57-I126 HydrophobicContact CG2-CG1 3.74Å
58	R	94.3	Very high	90.7	Very high	61 Å²	61	57.5 Å²	57.5	23%	0.23	26%	0.264	C	S	.	.	H	α-helix	trans	-59	-44.3	174.1	-177	174.7	-72.5	-84.9	-4.3	112.2	L62 E73 V74 Y123 W124	R58-L62 PolarHBondContact O-N 2.7Å; R58-L62 VanDerWaalsContact O-N 3.08Å; R58-E73 PolarHBondContact NH1-O 2.95Å; R58-E73 VanDerWaalsContact NH1-O 3.15Å; R58-V74 WeakPolarHBondContact CD-O 3.37Å; R58-V74 HydrophobicContact CG-CG1 3.89Å; R58-V74 PolarHBondContact NH1-O 2.99Å; R58-V74 WeakPolarHBondContact O-CG1 3.05Å; R58-Y123 VanDerWaalsContact CD-CE1 3.43Å; R58-Y123 PolarHBondContact NE-O 2.84Å; R58-W124 HydrophobicContact CB-CE3 4.23Å; R58-W124 HydrophobicContact CG-CE3 4.37Å; R58-W124 PolarHBondContact N-O 3.2Å
59	L	94.2	Very high	90.5	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-75.8	-29.3	178.2	-61.4	-178.1	0	0	0	113.3	L37 L51 T57 L62 F87 F94 Y101 W124	L37-L59 HydrophobicContact CD1-CD1 3.97Å; L37-L59 HydrophobicContact CD1-CD2 3.99Å; L37-L59 HydrophobicContact CD2-CD2 4.38Å; L51-L59 HydrophobicContact CD1-CB 4.39Å; L51-L59 HydrophobicContact CD2-CB 3.98Å; L51-L59 HydrophobicContact CD2-CD1 4.15Å; T57-L59 PolarHBondContact O-N 3.34Å; L59-L62 HydrophobicContact CD2-CD2 4.31Å; L59-L62 WeakPolarHBondContact O-CB 3.43Å; L59-L62 PolarHBondContact O-N 3.37Å; L59-F87 HydrophobicContact CD2-CE1 4.45Å; L59-F87 HydrophobicContact CD2-CE2 4.37Å; L59-F87 HydrophobicContact CD2-CZ 3.9Å; L59-F94 HydrophobicContact CD1-CE2 3.89Å; L59-F94 HydrophobicContact CD1-CZ 3.92Å; L59-Y101 HydrophobicContact CB-CE1 4.04Å; L59-Y101 HydrophobicContact CD1-CD2 4.48Å; L59-Y101 HydrophobicContact CD1-CE1 4.48Å; L59-Y101 HydrophobicContact CD1-CE2 3.89Å; L59-W124 HydrophobicContact CD2-CE3 4.21Å; L59-W124 HydrophobicContact CD2-CZ3 3.72Å; L59-W124 HydrophobicContact CG-CE3 4.05Å; L59-W124 HydrophobicContact CG-CZ3 4.07Å
60	G	92.2	Very high	90.4	Very high	3 Å²	3	59 Å²	59	3%	0.031	28%	0.282	C	S	.	.	H	α-helix	trans	-59.4	-53.7	170.5	0	0	0	0	0	110.7	T57 L62 R63	T57-G60 PolarHBondContact O-N 3.19Å; T57-G60 PolarHBondContact OG1-N 3.06Å; G60-L62 VanDerWaalsContact C-N 3.3Å; G60-L62 PolarHBondContact O-N 2.88Å; G60-R63 PolarHBondContact O-N 2.81Å; G60-R63 VanDerWaalsContact O-N 3.16Å
61	K	92.2	Very high	90.3	Very high	111 Å²	111	59 Å²	59	48%	0.483	28%	0.282	S	S	.	.	H	α-helix	trans	-55.9	-39.7	175.6	-68.9	168.5	-176.8	175.6	0	113.2	R56 T57 R63 D64 C65 V74	R56-K61 WeakPolarHBondContact O-CE 3.46Å; T57-K61 VanDerWaalsContact O-CG 3.3Å; T57-K61 WeakPolarHBondContact O-CG 3.42Å; T57-K61 PolarHBondContact O-N 2.66Å; K61-R63 PolarHBondContact O-N 3.47Å; K61-D64 PolarHBondContact O-N 3.42Å; K61-C65 PolarHBondContact O-N 2.98Å; K61-C65 PolarHBondContact O-SG 3.02Å; K61-V74 HydrophobicContact CB-CG2 4.37Å
62	L	91.9	Very high	90.1	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-49.8	-35.6	178.6	-178	68.2	0	0	0	112.6	K29 L37 W48 R58 L59 G60 L71 V74 Y85 F87	K29-L62 PolarHBondContact NZ-O 3.02Å; L37-L62 HydrophobicContact CD2-CD2 3.6Å; W48-L62 HydrophobicContact CZ3-CG 4.49Å; R58-L62 PolarHBondContact O-N 2.7Å; R58-L62 VanDerWaalsContact O-N 3.08Å; L59-L62 HydrophobicContact CD2-CD2 4.31Å; L59-L62 WeakPolarHBondContact O-CB 3.43Å; L59-L62 PolarHBondContact O-N 3.37Å; G60-L62 VanDerWaalsContact C-N 3.3Å; G60-L62 PolarHBondContact O-N 2.88Å; L62-L71 HydrophobicContact CD1-CD2 3.88Å; L62-V74 HydrophobicContact CB-CG1 3.82Å; L62-V74 HydrophobicContact CD1-CG1 3.84Å; L62-V74 HydrophobicContact CG-CG1 4.43Å; L62-Y85 HydrophobicContact CD1-CD1 3.77Å; L62-Y85 HydrophobicContact CD1-CE1 4.22Å; L62-Y85 HydrophobicContact CD1-CG 4.16Å; L62-Y85 HydrophobicContact CD2-CD2 4.5Å; L62-Y85 HydrophobicContact CD2-CG 4.26Å; L62-F87 HydrophobicContact CD2-CZ 4.16Å
63	R	87.3	Confident	90.1	Very high	84 Å²	84	67 Å²	67	32%	0.317	32%	0.319	S	S	.	.	H	α-helix	trans	-67.9	-43.6	177.4	179	162.9	166.6	177	-26.2	112.6	K29 W48 D52 G60 K61	K29-R63 PolarHBondContact NZ-O 2.88Å; W48-R63 HydrophobicContact CE3-CB 4.13Å; W48-R63 HydrophobicContact CE3-CG 4.2Å; W48-R63 HydrophobicContact CZ3-CB 4.3Å; W48-R63 PolarHBondContact O-NH1 2.91Å; D52-R63 VanDerWaalsContact OD1-CD 3.28Å; D52-R63 WeakPolarHBondContact OD1-CD 3.46Å; D52-R63 IonicContact OD1-CZ 2.67Å; D52-R63 IonicContact OD1-NE 3.45Å; D52-R63 PolarHBondContact OD1-NE 3.46Å; D52-R63 IonicContact OD1-NH1 3.59Å; D52-R63 PolarHBondContact OD1-NH1 3.28Å; D52-R63 IonicContact OD1-NH2 2.67Å; D52-R63 PolarHBondContact OD1-NH2 3.06Å; D52-R63 VanDerWaalsContact OD1-NH2 3.09Å; D52-R63 IonicContact OD2-CZ 3.95Å; D52-R63 IonicContact OD2-NH1 2.59Å; D52-R63 PolarHBondContact OD2-NH1 2.82Å; D52-R63 IonicContact OD2-NH2 3.39Å; D52-R63 PolarHBondContact OD2-NH2 3.13Å; G60-R63 PolarHBondContact O-N 2.81Å; G60-R63 VanDerWaalsContact O-N 3.16Å; K61-R63 PolarHBondContact O-N 3.47Å
64	D	86.3	Confident	90.1	Very high	108 Å²	108	61.5 Å²	61.5	58%	0.578	30%	0.299	S	S	*	.	H	α-helix	trans	-77.7	-18.2	-177.6	-63.2	-27.6	0	0	0	113.6	K61 N66	K61-D64 PolarHBondContact O-N 3.42Å; D64-N66 PolarHBondContact O-N 3.49Å; D64-N66 PolarHBondContact O-ND2 3.22Å
65	C	89	Confident	90.1	Very high	16 Å²	16	59.8 Å²	59.8	11%	0.108	29%	0.29	C	S	.	.			trans	-64.6	98.1	179.6	-70.5	0	0	0	0	113.3	K29 K61 S70 L71	K29-C65 PolarHBondContact NZ-O 2.82Å; K61-C65 PolarHBondContact O-N 2.98Å; K61-C65 PolarHBondContact O-SG 3.02Å; C65-S70 WeakPolarHBondContact CA-OG 3.49Å; C65-S70 WeakPolarHBondContact CB-OG 3.35Å; C65-S70 PolarHBondContact SG-O 3.17Å; C65-L71 HydrophobicContact CB-CD2 3.71Å; C65-L71 HydrophobicContact CB-CG 4.23Å
66	N	87.3	Confident	90.2	Very high	70 Å²	70	60 Å²	60	37%	0.374	29%	0.287	S	S	.	.			trans	-103.6	1.7	-173.6	-70.2	-30.7	0	0	0	114.8	P22 I26 D64 S70	P22-N66 VanDerWaalsContact CA-O 3.27Å; P22-N66 WeakPolarHBondContact CA-O 3.43Å; P22-N66 VanDerWaalsContact CB-O 3.29Å; P22-N66 WeakPolarHBondContact CB-O 3.3Å; I26-N66 HydrophobicContact CD1-CB 4.08Å; I26-N66 HydrophobicContact CG1-CB 3.85Å; D64-N66 PolarHBondContact O-N 3.49Å; D64-N66 PolarHBondContact O-ND2 3.22Å; N66-S70 PolarHBondContact N-OG 3.31Å
67	S	88.1	Confident	90.3	Very high	42 Å²	42	53.4 Å²	53.4	29%	0.294	27%	0.268	S	S	.	.	S	Bend	trans	-120	157	172.2	71.3	0	0	0	0	111.7	D69 S70 L71	S67-D69 VanDerWaalsContact C-N 3.33Å; S67-D69 PolarHBondContact O-N 3.41Å; S67-S70 PolarHBondContact N-OG 3.24Å; S67-S70 PolarHBondContact O-N 3.15Å; S67-S70 PolarHBondContact O-OG 3.06Å; S67-S70 WeakPolarHBondContact OG-CB 3.47Å; S67-S70 PolarHBondContact OG-N 2.93Å; S67-S70 PolarHBondContact OG-OG 3.28Å; S67-L71 PolarHBondContact O-N 2.75Å; S67-L71 VanDerWaalsContact O-N 3.09Å
68	H	87.8	Confident	90.2	Very high	58 Å²	58	54.5 Å²	54.5	27%	0.269	27%	0.272	S	S	.	.	H	α-helix	trans	-50.2	-52	173.7	174.2	70.6	0	0	0	111.8	P19 S70 L71 M72 Y78	P19-H68 HydrophobicContact CB-CB 3.85Å; H68-S70 VanDerWaalsContact C-N 3.3Å; H68-S70 PolarHBondContact O-N 3.12Å; H68-L71 WeakPolarHBondContact O-CB 3.27Å; H68-L71 PolarHBondContact O-N 3.31Å; H68-M72 WeakPolarHBondContact O-CG 3.42Å; H68-M72 PolarHBondContact O-N 3.2Å; H68-Y78 AromaticContact ND1-CE1 3.67Å; H68-Y78 AromaticContact ND1-CZ 3.7Å; H68-Y78 PolarHBondContact ND1-OH 2.9Å
69	D	86.9	Confident	90	Very high	113 Å²	113	54.5 Å²	54.5	60%	0.604	28%	0.276	S	S	*	.	H	α-helix	trans	-57	-43.5	-179.6	-46.5	-34.7	0	0	0	111.8	S67 L71 M72 E73	S67-D69 VanDerWaalsContact C-N 3.33Å; S67-D69 PolarHBondContact O-N 3.41Å; D69-L71 VanDerWaalsContact C-N 3.29Å; D69-L71 PolarHBondContact O-N 2.88Å; D69-M72 PolarHBondContact O-N 3.36Å; D69-E73 PolarHBondContact O-N 3.22Å; D69-E73 VanDerWaalsContact O-N 3.11Å
70	S	89.5	Confident	89.7	Confident	26 Å²	26	56.1 Å²	56.1	18%	0.182	29%	0.285	C	S	.	.	H	α-helix	trans	-67.7	-25.9	178.3	69.4	0	0	0	0	113.7	C65 N66 S67 H68 V74	C65-S70 WeakPolarHBondContact CA-OG 3.49Å; C65-S70 WeakPolarHBondContact CB-OG 3.35Å; C65-S70 PolarHBondContact SG-O 3.17Å; N66-S70 PolarHBondContact N-OG 3.31Å; S67-S70 PolarHBondContact N-OG 3.24Å; S67-S70 PolarHBondContact O-N 3.15Å; S67-S70 PolarHBondContact O-OG 3.06Å; S67-S70 WeakPolarHBondContact OG-CB 3.47Å; S67-S70 PolarHBondContact OG-N 2.93Å; S67-S70 PolarHBondContact OG-OG 3.28Å; H68-S70 VanDerWaalsContact C-N 3.3Å; H68-S70 PolarHBondContact O-N 3.12Å; S70-V74 WeakPolarHBondContact O-CG2 3.29Å
71	L	89.5	Confident	89.3	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-75	-44.5	171.4	-69.7	174.2	0	0	0	110.7	I25 L62 C65 S67 H68 D69 E73 V74 C75 Y78 Y85	I25-L71 HydrophobicContact CD1-CD1 4.03Å; I25-L71 HydrophobicContact CG1-CD1 4.34Å; I25-L71 HydrophobicContact CG2-CD1 3.94Å; L62-L71 HydrophobicContact CD1-CD2 3.88Å; C65-L71 HydrophobicContact CB-CD2 3.71Å; C65-L71 HydrophobicContact CB-CG 4.23Å; S67-L71 PolarHBondContact O-N 2.75Å; S67-L71 VanDerWaalsContact O-N 3.09Å; H68-L71 WeakPolarHBondContact O-CB 3.27Å; H68-L71 PolarHBondContact O-N 3.31Å; D69-L71 VanDerWaalsContact C-N 3.29Å; D69-L71 PolarHBondContact O-N 2.88Å; L71-E73 PolarHBondContact O-N 3.05Å; L71-V74 CarbonylContact O-C 3.53Å; L71-V74 WeakPolarHBondContact O-CA 3.45Å; L71-V74 PolarHBondContact O-N 3.19Å; L71-C75 PolarHBondContact O-N 3.32Å; L71-C75 PolarHBondContact O-SG 2.95Å; L71-Y78 HydrophobicContact CB-CD1 4.13Å; L71-Y78 HydrophobicContact CB-CE1 3.93Å; L71-Y78 HydrophobicContact CD1-CD1 4.22Å; L71-Y78 HydrophobicContact CD1-CD2 4Å; L71-Y78 HydrophobicContact CD1-CE1 3.91Å; L71-Y78 HydrophobicContact CD1-CE2 3.67Å; L71-Y78 HydrophobicContact CD1-CG 4.27Å; L71-Y85 HydrophobicContact CD1-CE1 4.17Å; L71-Y85 HydrophobicContact CD2-CD1 4.28Å; L71-Y85 HydrophobicContact CD2-CE1 3.78Å
72	M	89.6	Confident	89	Confident	81 Å²	81	63 Å²	63	40%	0.399	32%	0.318	S	S	.	.	H	α-helix	trans	-68.5	-16.9	-179.3	-59.7	-50.5	-55.6	0	0	114.2	H68 D69 V74 D76 Y78	H68-M72 WeakPolarHBondContact O-CG 3.42Å; H68-M72 PolarHBondContact O-N 3.2Å; D69-M72 PolarHBondContact O-N 3.36Å; M72-V74 VanDerWaalsContact C-N 3.33Å; M72-D76 WeakPolarHBondContact CE-O 3.31Å; M72-Y78 HydrophobicContact SD-CD1 3.89Å; M72-Y78 HydrophobicContact SD-CE1 3.73Å
73	E	88.6	Confident	88.9	Confident	161 Å²	161	63.1 Å²	63.1	75%	0.752	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-21.4	166.2	-71.9	-173.3	171.9	0	0	113.1	R58 D69 L71	R58-E73 PolarHBondContact NH1-O 2.95Å; R58-E73 VanDerWaalsContact NH1-O 3.15Å; D69-E73 PolarHBondContact O-N 3.22Å; D69-E73 VanDerWaalsContact O-N 3.11Å; L71-E73 PolarHBondContact O-N 3.05Å
74	V	90	Very high	89.2	Confident	12 Å²	12	61.4 Å²	61.4	7%	0.073	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-42.4	-168.5	173.2	0	0	0	0	113.1	R58 K61 L62 S70 L71 M72 F87	R58-V74 WeakPolarHBondContact CD-O 3.37Å; R58-V74 HydrophobicContact CG-CG1 3.89Å; R58-V74 PolarHBondContact NH1-O 2.99Å; R58-V74 WeakPolarHBondContact O-CG1 3.05Å; K61-V74 HydrophobicContact CB-CG2 4.37Å; L62-V74 HydrophobicContact CB-CG1 3.82Å; L62-V74 HydrophobicContact CD1-CG1 3.84Å; L62-V74 HydrophobicContact CG-CG1 4.43Å; S70-V74 WeakPolarHBondContact O-CG2 3.29Å; L71-V74 CarbonylContact O-C 3.53Å; L71-V74 WeakPolarHBondContact O-CA 3.45Å; L71-V74 PolarHBondContact O-N 3.19Å; M72-V74 VanDerWaalsContact C-N 3.33Å; V74-F87 WeakPolarHBondContact O-CE1 3.35Å
75	C	92.3	Very high	89.6	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.007	29%	0.287	C	S	.	.			trans	-125.6	156.6	178.2	57.5	0	0	0	0	111.4	L71 F86 F87	L71-C75 PolarHBondContact O-N 3.32Å; L71-C75 PolarHBondContact O-SG 2.95Å; C75-F86 WeakPolarHBondContact CB-O 3.41Å; C75-F87 HydrophobicContact CB-CD1 4.15Å; C75-F87 HydrophobicContact CB-CE1 3.65Å; C75-F87 HydrophobicContact CB-CE2 4.35Å; C75-F87 HydrophobicContact CB-CZ 3.75Å
76	D	92.3	Very high	89.9	Confident	81 Å²	81	58.5 Å²	58.5	43%	0.433	30%	0.295	S	S	.	.	S	Bend	trans	-83.5	-27.3	-172.1	-59.1	-63.1	0	0	0	113	M72 F86 F87 D88	M72-D76 WeakPolarHBondContact CE-O 3.31Å; D76-F86 HydrophobicContact CB-CD1 4.21Å; D76-F86 PolarHBondContact N-O 3.14Å; D76-F87 VanDerWaalsContact OD2-CA 3.3Å; D76-F87 WeakPolarHBondContact OD2-CA 3.4Å; D76-D88 PolarHBondContact OD2-N 3.42Å
77	D	92.1	Very high	90.3	Very high	85 Å²	85	55.1 Å²	55.1	46%	0.455	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	163.9	170.2	-158.3	-9.8	0	0	0	109.5	F86	D77-F86 HydrophobicContact CB-CB 4.14Å; D77-F86 HydrophobicContact CB-CD1 4.31Å; D77-F86 PolarHBondContact O-N 2.88Å
78	Y	92.2	Very high	90.6	Very high	31 Å²	31	59 Å²	59	12%	0.122	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	150	175.1	71.1	-84.4	0	0	0	114.6	P20 H68 L71 M72 L80 E84 Y85	P20-Y78 HydrophobicContact CG-CE2 4.3Å; P20-Y78 VanDerWaalsContact CG-OH 3.3Å; P20-Y78 WeakPolarHBondContact CG-OH 3.23Å; H68-Y78 AromaticContact ND1-CE1 3.67Å; H68-Y78 AromaticContact ND1-CZ 3.7Å; H68-Y78 PolarHBondContact ND1-OH 2.9Å; L71-Y78 HydrophobicContact CB-CD1 4.13Å; L71-Y78 HydrophobicContact CB-CE1 3.93Å; L71-Y78 HydrophobicContact CD1-CD1 4.22Å; L71-Y78 HydrophobicContact CD1-CD2 4Å; L71-Y78 HydrophobicContact CD1-CE1 3.91Å; L71-Y78 HydrophobicContact CD1-CE2 3.67Å; L71-Y78 HydrophobicContact CD1-CG 4.27Å; M72-Y78 HydrophobicContact SD-CD1 3.89Å; M72-Y78 HydrophobicContact SD-CE1 3.73Å; Y78-L80 HydrophobicContact CD2-CD2 3.86Å; Y78-L80 HydrophobicContact CD2-CG 3.99Å; Y78-L80 HydrophobicContact CE2-CD1 4.17Å; Y78-L80 HydrophobicContact CE2-CD2 3.79Å; Y78-L80 HydrophobicContact CE2-CG 3.75Å; Y78-E84 CarbonylContact C-O 3.56Å; Y78-E84 WeakPolarHBondContact CA-O 3.47Å; Y78-Y85 HydrophobicContact CD2-CE1 4.37Å; Y78-Y85 HydrophobicContact CG-CD1 4.3Å; Y78-Y85 HydrophobicContact CG-CE1 4.35Å
79	N	90.6	Very high	90.9	Very high	61 Å²	61	59.2 Å²	59.2	33%	0.326	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	114.9	176.4	-179.1	4.1	0	0	0	111	E81 N83 E84	N79-E81 WeakPolarHBondContact OD1-CB 3.35Å; N79-E81 PolarHBondContact OD1-N 2.83Å; N79-N83 WeakPolarHBondContact O-CA 3.2Å; N79-N83 PolarHBondContact O-N 2.73Å; N79-N83 VanDerWaalsContact O-N 3.17Å; N79-E84 PolarHBondContact N-O 3.04Å; N79-E84 PolarHBondContact O-N 2.81Å
80	L	87.4	Confident	91	Very high	35 Å²	35	58.3 Å²	58.3	18%	0.183	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-20.3	179.8	-64.7	179.2	0	0	0	114.3	P20 I25 S28 Y78	P20-L80 HydrophobicContact CB-CD1 3.79Å; P20-L80 HydrophobicContact CG-CD1 3.77Å; I25-L80 HydrophobicContact CG1-CD1 4.08Å; I25-L80 HydrophobicContact CG1-CD2 4.39Å; S28-L80 PolarHBondContact OG-O 3.38Å; Y78-L80 HydrophobicContact CD2-CD2 3.86Å; Y78-L80 HydrophobicContact CD2-CG 3.99Å; Y78-L80 HydrophobicContact CE2-CD1 4.17Å; Y78-L80 HydrophobicContact CE2-CD2 3.79Å; Y78-L80 HydrophobicContact CE2-CG 3.75Å
81	E	85.2	Confident	91	Very high	159 Å²	159	58.9 Å²	58.9	74%	0.743	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-38.7	-179.7	-59.8	-173.2	166.6	0	0	111.8	Y32 N79	Y32-E81 PolarHBondContact OH-O 3.08Å; N79-E81 WeakPolarHBondContact OD1-CB 3.35Å; N79-E81 PolarHBondContact OD1-N 2.83Å
82	E	85.2	Confident	91	Very high	98 Å²	98	60 Å²	60	46%	0.458	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	1.8	178.1	-67.1	-68.2	162.3	0	0	113	R36 E84	R36-E82 IonicContact CZ-OE2 3.73Å; R36-E82 PolarHBondContact NH1-O 2.61Å; R36-E82 IonicContact NH1-OE2 2.67Å; R36-E82 PolarHBondContact NH1-OE2 2.79Å; R36-E82 IonicContact NH2-OE2 3.93Å; E82-E84 VanDerWaalsContact C-N 3.31Å; E82-E84 HydrophobicContact CB-CB 4.31Å; E82-E84 PolarHBondContact O-N 3.32Å
83	N	89.8	Confident	91	Very high	3 Å²	3	56.2 Å²	56.2	2%	0.016	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	44.3	52	-170.5	-166.2	37.9	0	0	0	113.2	Y32 R34 R36 N79 Y85	Y32-N83 WeakPolarHBondContact CB-ND2 3.48Å; Y32-N83 HydrophobicContact CD2-CB 3.6Å; Y32-N83 HydrophobicContact CE2-CB 3.95Å; Y32-N83 HydrophobicContact CG-CB 3.94Å; R34-N83 PolarHBondContact O-ND2 2.79Å; R36-N83 PolarHBondContact N-O 2.77Å; N79-N83 WeakPolarHBondContact O-CA 3.2Å; N79-N83 PolarHBondContact O-N 2.73Å; N79-N83 VanDerWaalsContact O-N 3.17Å; N83-Y85 WeakPolarHBondContact OD1-CE2 3.35Å; N83-Y85 PolarHBondContact OD1-OH 3.45Å
84	E	93.3	Very high	91.3	Very high	49 Å²	49	48.5 Å²	48.5	23%	0.229	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	132.2	-172.9	-175.7	177.2	-172	0	0	111.1	R36 N38 Y78 N79 E82	R36-E84 HydrophobicContact CB-CB 4.19Å; R36-E84 HydrophobicContact CB-CG 4.25Å; R36-E84 WeakPolarHBondContact O-CA 3.26Å; N38-E84 HydrophobicContact CB-CG 4.06Å; N38-E84 VanDerWaalsContact CB-OE1 3.26Å; N38-E84 WeakPolarHBondContact CB-OE1 3.16Å; N38-E84 PolarHBondContact ND2-OE1 2.8Å; Y78-E84 CarbonylContact C-O 3.56Å; Y78-E84 WeakPolarHBondContact CA-O 3.47Å; N79-E84 PolarHBondContact N-O 3.04Å; N79-E84 PolarHBondContact O-N 2.81Å; E82-E84 VanDerWaalsContact C-N 3.31Å; E82-E84 HydrophobicContact CB-CB 4.31Å; E82-E84 PolarHBondContact O-N 3.32Å
85	Y	94.7	Very high	91.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	128	177.9	-57.9	-96.9	0	0	0	109	V35 R36 N38 W48 L62 L71 Y78 N83	V35-Y85 HydrophobicContact CG2-CD2 3.42Å; V35-Y85 VanDerWaalsContact CG2-CD2 3.42Å; V35-Y85 HydrophobicContact CG2-CE2 3.49Å; V35-Y85 VanDerWaalsContact CG2-CE2 3.49Å; R36-Y85 PolarHBondContact O-N 3.44Å; N38-Y85 PolarHBondContact N-O 3.48Å; W48-Y85 AromaticContact CH2-CE2 3.8Å; W48-Y85 HydrophobicContact CH2-CE2 3.8Å; W48-Y85 HydrophobicContact CZ2-CE2 4.13Å; L62-Y85 HydrophobicContact CD1-CD1 3.77Å; L62-Y85 HydrophobicContact CD1-CE1 4.22Å; L62-Y85 HydrophobicContact CD1-CG 4.16Å; L62-Y85 HydrophobicContact CD2-CD2 4.5Å; L62-Y85 HydrophobicContact CD2-CG 4.26Å; L71-Y85 HydrophobicContact CD1-CE1 4.17Å; L71-Y85 HydrophobicContact CD2-CD1 4.28Å; L71-Y85 HydrophobicContact CD2-CE1 3.78Å; Y78-Y85 HydrophobicContact CD2-CE1 4.37Å; Y78-Y85 HydrophobicContact CG-CD1 4.3Å; Y78-Y85 HydrophobicContact CG-CE1 4.35Å; N83-Y85 WeakPolarHBondContact OD1-CE2 3.35Å; N83-Y85 PolarHBondContact OD1-OH 3.45Å
86	F	95.4	Very high	91.5	Very high	62 Å²	62	51.1 Å²	51.1	27%	0.272	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	141.9	-171	-179.7	-103.3	0	0	0	112.6	N38 C75 D76 D77 D88	N38-F86 HydrophobicContact CB-CD2 4.12Å; N38-F86 CarbonylContact O-C 3.53Å; N38-F86 WeakPolarHBondContact O-CA 3.35Å; C75-F86 WeakPolarHBondContact CB-O 3.41Å; D76-F86 HydrophobicContact CB-CD1 4.21Å; D76-F86 PolarHBondContact N-O 3.14Å; D77-F86 HydrophobicContact CB-CB 4.14Å; D77-F86 HydrophobicContact CB-CD1 4.31Å; D77-F86 PolarHBondContact O-N 2.88Å; F86-D88 HydrophobicContact CE1-CB 4.01Å; F86-D88 HydrophobicContact CZ-CB 4.33Å
87	F	96.2	Very high	91.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	120.9	178.3	-54.7	-95.6	0	0	0	109.9	L37 N38 V39 G40 L59 L62 V74 C75 D76 R89 Y123 W124	L37-F87 HydrophobicContact CB-CE2 4.48Å; L37-F87 HydrophobicContact CD2-CE2 4.11Å; N38-F87 PolarHBondContact O-N 3.34Å; V39-F87 WeakPolarHBondContact CA-O 3.43Å; V39-F87 HydrophobicContact CG1-CB 4.44Å; V39-F87 HydrophobicContact CG2-CB 4.29Å; V39-F87 HydrophobicContact CG2-CD2 4.11Å; G40-F87 PolarHBondContact N-O 3.5Å; L59-F87 HydrophobicContact CD2-CE1 4.45Å; L59-F87 HydrophobicContact CD2-CE2 4.37Å; L59-F87 HydrophobicContact CD2-CZ 3.9Å; L62-F87 HydrophobicContact CD2-CZ 4.16Å; V74-F87 WeakPolarHBondContact O-CE1 3.35Å; C75-F87 HydrophobicContact CB-CD1 4.15Å; C75-F87 HydrophobicContact CB-CE1 3.65Å; C75-F87 HydrophobicContact CB-CE2 4.35Å; C75-F87 HydrophobicContact CB-CZ 3.75Å; D76-F87 VanDerWaalsContact OD2-CA 3.3Å; D76-F87 WeakPolarHBondContact OD2-CA 3.4Å; F87-R89 HydrophobicContact CB-CG 4.33Å; F87-R89 PolarHBondContact O-N 2.86Å; F87-Y123 HydrophobicContact CD1-CE1 4.47Å; F87-W124 HydrophobicContact CB-CH2 3.88Å; F87-W124 AromaticContact CD1-CH2 3.65Å; F87-W124 HydrophobicContact CD1-CH2 3.65Å; F87-W124 AromaticContact CD1-CZ3 3.77Å; F87-W124 HydrophobicContact CD1-CZ3 3.77Å; F87-W124 HydrophobicContact CD2-CH2 4.17Å; F87-W124 HydrophobicContact CE1-CH2 4.19Å; F87-W124 AromaticContact CE1-CZ3 3.86Å; F87-W124 HydrophobicContact CE1-CZ3 3.86Å; F87-W124 AromaticContact CG-CH2 3.64Å; F87-W124 HydrophobicContact CG-CH2 3.64Å; F87-W124 HydrophobicContact CG-CZ3 4.17Å; F87-W124 HydrophobicContact CZ-CZ3 4.36Å
88	D	94.3	Very high	91.7	Very high	122 Å²	122	43.3 Å²	43.3	65%	0.652	22%	0.219	S	C	*	.			trans	-81.7	63.7	-179.5	-167.1	23	0	0	0	111.4	D76 F86	D76-D88 PolarHBondContact OD2-N 3.42Å; F86-D88 HydrophobicContact CE1-CB 4.01Å; F86-D88 HydrophobicContact CZ-CB 4.33Å
89	R	93.7	Very high	91.8	Very high	63 Å²	63	45.1 Å²	45.1	24%	0.238	23%	0.231	C	C	.	.	S	Bend	trans	-133	170.7	-171.1	-58.4	-60.9	-59.5	-141.9	-1.3	112.4	V39 G40 F87 P91 Q119 E120 Y123 W124	V39-R89 HydrophobicContact CG1-CB 3.89Å; G40-R89 WeakPolarHBondContact CA-O 3.25Å; G40-R89 PolarHBondContact N-O 3.41Å; F87-R89 HydrophobicContact CB-CG 4.33Å; F87-R89 PolarHBondContact O-N 2.86Å; R89-P91 VanDerWaalsContact O-CD 3.26Å; R89-P91 WeakPolarHBondContact O-CD 3.42Å; R89-Q119 PolarHBondContact NH2-O 3.46Å; R89-E120 IonicContact CZ-OE1 2.89Å; R89-E120 IonicContact NE-OE1 2.83Å; R89-E120 PolarHBondContact NE-OE1 3.19Å; R89-E120 IonicContact NE-OE2 3.43Å; R89-E120 IonicContact NH2-OE1 3.15Å; R89-E120 PolarHBondContact NH2-OE1 2.83Å; R89-Y123 HydrophobicContact CG-CD1 4Å; R89-Y123 HydrophobicContact CG-CE1 3.52Å; R89-Y123 VanDerWaalsContact CZ-CG 3.48Å; R89-W124 HydrophobicContact CB-CZ2 4.13Å; R89-W124 HydrophobicContact CG-CZ2 4.19Å
90	H	88.4	Confident	92	Very high	95 Å²	95	42.7 Å²	42.7	44%	0.44	22%	0.218	S	C	.	.			trans	-76.8	110.3	-171.7	-176.4	-106.7	0	0	0	113	G92 A93 F94	H90-G92 VanDerWaalsContact C-N 3.31Å; H90-G92 PolarHBondContact O-N 3.36Å; H90-A93 HydrophobicContact CB-CB 4.33Å; H90-A93 PolarHBondContact ND1-N 2.93Å; H90-A93 VanDerWaalsContact ND1-N 3.19Å; H90-A93 PolarHBondContact O-N 2.92Å; H90-F94 PolarHBondContact O-N 2.98Å
91	P	90.9	Very high	92.3	Very high	38 Å²	38	41.1 Å²	41.1	25%	0.247	21%	0.209	C	C	.	.	H	α-helix	trans	-62.2	-33.8	-172.1	20.8	-31.7	0	0	0	113.8	V39 L42 R89 A93 F94 T95	V39-P91 WeakPolarHBondContact O-CB 3.3Å; L42-P91 HydrophobicContact CB-CB 3.83Å; L42-P91 HydrophobicContact CD2-CB 3.83Å; L42-P91 HydrophobicContact CG-CB 4.5Å; R89-P91 VanDerWaalsContact O-CD 3.26Å; R89-P91 WeakPolarHBondContact O-CD 3.42Å; P91-A93 VanDerWaalsContact C-N 3.31Å; P91-A93 PolarHBondContact O-N 3.48Å; P91-F94 PolarHBondContact O-N 2.82Å; P91-T95 PolarHBondContact O-N 3.19Å; P91-T95 PolarHBondContact O-OG1 3.45Å
92	G	88.5	Confident	92.7	Very high	24 Å²	24	38 Å²	38	25%	0.247	19%	0.191	C	C	.	.	H	α-helix	trans	-61.8	-38.8	176	0	0	0	0	0	112.4	H90 T95	H90-G92 VanDerWaalsContact C-N 3.31Å; H90-G92 PolarHBondContact O-N 3.36Å; G92-T95 PolarHBondContact O-N 2.97Å
93	A	90.9	Very high	93.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-70.7	-39.7	178.1	0	0	0	0	0	111.2	H90 P91 T95 S96 I97 M112 E120	H90-A93 HydrophobicContact CB-CB 4.33Å; H90-A93 PolarHBondContact ND1-N 2.93Å; H90-A93 VanDerWaalsContact ND1-N 3.19Å; H90-A93 PolarHBondContact O-N 2.92Å; P91-A93 VanDerWaalsContact C-N 3.31Å; P91-A93 PolarHBondContact O-N 3.48Å; A93-T95 PolarHBondContact O-N 3.44Å; A93-T95 VanDerWaalsContact O-N 3.13Å; A93-S96 WeakPolarHBondContact O-CB 3.36Å; A93-S96 PolarHBondContact O-N 2.79Å; A93-I97 WeakPolarHBondContact O-CG1 3.36Å; A93-I97 PolarHBondContact O-N 2.98Å; A93-M112 HydrophobicContact CB-CE 3.97Å; A93-M112 HydrophobicContact CB-SD 3.8Å; A93-E120 HydrophobicContact CB-CB 4.15Å; A93-E120 HydrophobicContact CB-CG 3.62Å
94	F	94.8	Very high	93.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-58.4	-26.8	178.6	-169.1	-106.2	0	0	0	113.8	L37 V39 H44 L59 H90 P91 S96 I97 L98 W124	L37-F94 HydrophobicContact CB-CE1 4.47Å; L37-F94 HydrophobicContact CB-CZ 4.25Å; L37-F94 HydrophobicContact CD1-CZ 3.99Å; V39-F94 HydrophobicContact CB-CB 4.3Å; V39-F94 HydrophobicContact CB-CD1 4.22Å; V39-F94 HydrophobicContact CB-CG 4.12Å; V39-F94 HydrophobicContact CG1-CB 3.94Å; V39-F94 HydrophobicContact CG1-CD2 4.36Å; V39-F94 HydrophobicContact CG1-CG 4.1Å; V39-F94 HydrophobicContact CG2-CB 4.43Å; V39-F94 HydrophobicContact CG2-CD1 3.69Å; V39-F94 HydrophobicContact CG2-CD2 3.86Å; V39-F94 HydrophobicContact CG2-CE1 3.78Å; V39-F94 HydrophobicContact CG2-CE2 3.93Å; V39-F94 HydrophobicContact CG2-CG 3.72Å; V39-F94 HydrophobicContact CG2-CZ 3.89Å; H44-F94 HydrophobicContact CB-CE1 4.06Å; H44-F94 AromaticContact CD2-CD1 3.49Å; H44-F94 VanDerWaalsContact CD2-CD1 3.49Å; H44-F94 WeakPolarHBondContact CD2-CD1 3.28Å; H44-F94 AromaticContact CD2-CE1 3.7Å; H44-F94 AromaticContact CG-CD1 3.95Å; H44-F94 AromaticContact CG-CE1 3.86Å; H44-F94 AromaticContact NE2-CD1 3.61Å; L59-F94 HydrophobicContact CD1-CE2 3.89Å; L59-F94 HydrophobicContact CD1-CZ 3.92Å; H90-F94 PolarHBondContact O-N 2.98Å; P91-F94 PolarHBondContact O-N 2.82Å; F94-S96 PolarHBondContact O-N 3.3Å; F94-I97 HydrophobicContact CD2-CB 4.29Å; F94-I97 HydrophobicContact CD2-CG2 4.28Å; F94-I97 HydrophobicContact CE2-CG2 4.38Å; F94-I97 WeakPolarHBondContact O-CB 3.34Å; F94-I97 PolarHBondContact O-N 3.2Å; F94-L98 HydrophobicContact CD1-CB 4.43Å; F94-L98 HydrophobicContact CE1-CB 4.18Å; F94-L98 HydrophobicContact CE1-CD2 4.22Å; F94-L98 WeakPolarHBondContact O-CB 3.21Å; F94-L98 PolarHBondContact O-N 3.36Å; F94-W124 HydrophobicContact CD2-CD2 4.34Å; F94-W124 AromaticContact CD2-CE2 3.71Å; F94-W124 AromaticContact CD2-CH2 3.75Å; F94-W124 HydrophobicContact CD2-CH2 3.75Å; F94-W124 AromaticContact CD2-CZ2 3.4Å; F94-W124 HydrophobicContact CD2-CZ2 3.4Å; F94-W124 VanDerWaalsContact CD2-CZ2 3.4Å; F94-W124 HydrophobicContact CD2-CZ3 4.35Å; F94-W124 HydrophobicContact CE2-CD2 4.39Å; F94-W124 HydrophobicContact CE2-CE3 4.24Å; F94-W124 AromaticContact CE2-CH2 3.59Å; F94-W124 HydrophobicContact CE2-CH2 3.59Å; F94-W124 AromaticContact CE2-CZ2 3.76Å; F94-W124 HydrophobicContact CE2-CZ2 3.76Å; F94-W124 AromaticContact CE2-CZ3 3.86Å; F94-W124 HydrophobicContact CE2-CZ3 3.86Å; F94-W124 HydrophobicContact CG-CZ2 4.45Å
95	T	92.1	Very high	93	Very high	57 Å²	57	42.4 Å²	42.4	35%	0.35	23%	0.23	S	C	.	.	H	α-helix	trans	-62.3	-42.6	175.2	-61.9	0	0	0	0	112.1	P91 G92 A93 N99	P91-T95 PolarHBondContact O-N 3.19Å; P91-T95 PolarHBondContact O-OG1 3.45Å; G92-T95 PolarHBondContact O-N 2.97Å; A93-T95 PolarHBondContact O-N 3.44Å; A93-T95 VanDerWaalsContact O-N 3.13Å; T95-N99 WeakPolarHBondContact O-CB 3.31Å; T95-N99 PolarHBondContact O-N 2.99Å; T95-N99 VanDerWaalsContact O-N 3.1Å; T95-N99 PolarHBondContact O-ND2 2.66Å
96	S	93.4	Very high	93	Very high	10 Å²	10	42.4 Å²	42.4	7%	0.07	23%	0.23	C	C	.	.	H	α-helix	trans	-65.5	-41.2	172	-82	0	0	0	0	112.3	A93 F94 N99 F100 H107	A93-S96 WeakPolarHBondContact O-CB 3.36Å; A93-S96 PolarHBondContact O-N 2.79Å; F94-S96 PolarHBondContact O-N 3.3Å; S96-N99 PolarHBondContact O-N 3.46Å; S96-F100 PolarHBondContact O-N 2.84Å; S96-H107 WeakPolarHBondContact CB-O 3.28Å; S96-H107 PolarHBondContact OG-O 3.41Å
97	I	95.4	Very high	92.9	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61	-50.6	178.7	-59.6	-66.5	0	0	0	110.4	A93 F94 N99 F100 Y101 L121 W124 I126	A93-I97 WeakPolarHBondContact O-CG1 3.36Å; A93-I97 PolarHBondContact O-N 2.98Å; F94-I97 HydrophobicContact CD2-CB 4.29Å; F94-I97 HydrophobicContact CD2-CG2 4.28Å; F94-I97 HydrophobicContact CE2-CG2 4.38Å; F94-I97 WeakPolarHBondContact O-CB 3.34Å; F94-I97 PolarHBondContact O-N 3.2Å; I97-N99 PolarHBondContact O-N 3.15Å; I97-F100 WeakPolarHBondContact O-CB 3.18Å; I97-F100 PolarHBondContact O-N 3.16Å; I97-F100 VanDerWaalsContact O-N 3.16Å; I97-Y101 HydrophobicContact CG2-CE2 3.91Å; I97-Y101 WeakPolarHBondContact O-CD2 3.21Å; I97-L121 HydrophobicContact CD1-CD2 3.67Å; I97-W124 HydrophobicContact CD1-CB 4.45Å; I97-W124 HydrophobicContact CD1-CG 4.32Å; I97-W124 HydrophobicContact CG1-CG 4.27Å; I97-W124 HydrophobicContact CG2-CB 4.15Å; I97-W124 HydrophobicContact CG2-CD2 4.25Å; I97-W124 HydrophobicContact CG2-CG 3.86Å; I97-I126 HydrophobicContact CD1-CD1 4.02Å; I97-I126 HydrophobicContact CG2-CD1 3.79Å
98	L	94.4	Very high	92.7	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-64.5	-37.5	179.5	176.2	54.1	0	0	0	112.5	H44 V46 F94 F100 Y101 R102	H44-L98 HydrophobicContact CB-CD2 4.05Å; V46-L98 HydrophobicContact CG1-CD1 3.49Å; V46-L98 VanDerWaalsContact CG1-CD1 3.49Å; V46-L98 HydrophobicContact CG1-CD2 4.07Å; V46-L98 HydrophobicContact CG1-CG 4.43Å; F94-L98 HydrophobicContact CD1-CB 4.43Å; F94-L98 HydrophobicContact CE1-CB 4.18Å; F94-L98 HydrophobicContact CE1-CD2 4.22Å; F94-L98 WeakPolarHBondContact O-CB 3.21Å; F94-L98 PolarHBondContact O-N 3.36Å; L98-F100 PolarHBondContact O-N 2.98Å; L98-Y101 PolarHBondContact O-N 2.98Å; L98-R102 HydrophobicContact CD1-CG 4.42Å; L98-R102 PolarHBondContact O-N 2.82Å; L98-R102 VanDerWaalsContact O-N 3.12Å
99	N	93.2	Very high	92.4	Very high	69 Å²	69	41.8 Å²	41.8	37%	0.369	23%	0.225	S	C	.	.	H	α-helix	trans	-63.9	-28	175.5	-74.8	-17.9	0	0	0	112.7	T95 S96 I97 R102 T103	T95-N99 WeakPolarHBondContact O-CB 3.31Å; T95-N99 PolarHBondContact O-N 2.99Å; T95-N99 VanDerWaalsContact O-N 3.1Å; T95-N99 PolarHBondContact O-ND2 2.66Å; S96-N99 PolarHBondContact O-N 3.46Å; I97-N99 PolarHBondContact O-N 3.15Å; N99-R102 PolarHBondContact O-N 3.45Å; N99-T103 WeakPolarHBondContact O-CB 3.31Å; N99-T103 PolarHBondContact O-N 3.25Å; N99-T103 PolarHBondContact O-OG1 3.4Å
100	F	95.4	Very high	91.8	Very high	10 Å²	10	44.9 Å²	44.9	4%	0.044	24%	0.242	C	C	.	.	H	α-helix	trans	-65.9	-43.4	172.6	177.2	-130	0	0	0	112.3	L54 S96 I97 L98 R102 G104 L106 I126 Y130	L54-F100 HydrophobicContact CD1-CD1 3.5Å; L54-F100 HydrophobicContact CD1-CE1 3.34Å; L54-F100 HydrophobicContact CD1-CG 4.32Å; L54-F100 HydrophobicContact CD1-CZ 4.02Å; L54-F100 HydrophobicContact CD2-CE1 4.15Å; L54-F100 HydrophobicContact CD2-CZ 4.18Å; L54-F100 HydrophobicContact CG-CE1 4.41Å; S96-F100 PolarHBondContact O-N 2.84Å; I97-F100 WeakPolarHBondContact O-CB 3.18Å; I97-F100 PolarHBondContact O-N 3.16Å; I97-F100 VanDerWaalsContact O-N 3.16Å; L98-F100 PolarHBondContact O-N 2.98Å; F100-R102 VanDerWaalsContact C-N 3.31Å; F100-R102 PolarHBondContact O-N 3.36Å; F100-G104 WeakPolarHBondContact CE2-O 3.41Å; F100-G104 VanDerWaalsContact O-CA 3.26Å; F100-G104 WeakPolarHBondContact O-CA 3.47Å; F100-G104 PolarHBondContact O-N 3.15Å; F100-L106 HydrophobicContact CB-CB 4.23Å; F100-L106 HydrophobicContact CB-CD1 3.93Å; F100-L106 HydrophobicContact CD2-CB 3.82Å; F100-L106 HydrophobicContact CE2-CB 4.34Å; F100-L106 HydrophobicContact CG-CB 4.01Å; F100-L106 HydrophobicContact CG-CD1 4.26Å; F100-I126 HydrophobicContact CD1-CD1 3.96Å; F100-I126 HydrophobicContact CD1-CG1 4.28Å; F100-I126 HydrophobicContact CD1-CG2 3.98Å; F100-I126 HydrophobicContact CE1-CD1 4.41Å; F100-I126 HydrophobicContact CE1-CG1 4.23Å; F100-I126 HydrophobicContact CE1-CG2 3.67Å; F100-Y130 HydrophobicContact CE1-CD2 4.35Å; F100-Y130 HydrophobicContact CE1-CG 4.3Å; F100-Y130 HydrophobicContact CE2-CD1 4.44Å; F100-Y130 HydrophobicContact CE2-CG 4.26Å; F100-Y130 AromaticContact CZ-CD1 3.89Å; F100-Y130 HydrophobicContact CZ-CD1 3.89Å; F100-Y130 HydrophobicContact CZ-CD2 4Å; F100-Y130 AromaticContact CZ-CG 3.55Å; F100-Y130 HydrophobicContact CZ-CG 3.55Å
101	Y	94.1	Very high	91.6	Very high	3 Å²	3	49.3 Å²	49.3	1%	0.012	26%	0.263	C	S	.	.	H	α-helix	trans	-62.6	-38.4	172.7	-64.3	-102.1	0	0	0	111.9	L51 R53 L54 T57 L59 I97 L98 I126	L51-Y101 HydrophobicContact CD2-CD1 4.31Å; R53-Y101 WeakPolarHBondContact CD-O 3.33Å; R53-Y101 PolarHBondContact NH1-O 3.44Å; L54-Y101 HydrophobicContact CB-CD1 4.11Å; L54-Y101 HydrophobicContact CB-CE1 3.78Å; L54-Y101 HydrophobicContact CD1-CD1 3.78Å; L54-Y101 HydrophobicContact CD1-CD2 4.35Å; L54-Y101 HydrophobicContact CD1-CE1 3.84Å; L54-Y101 HydrophobicContact CD1-CE2 4.36Å; L54-Y101 HydrophobicContact CD1-CG 4.04Å; L54-Y101 HydrophobicContact CG-CD1 4.26Å; L54-Y101 HydrophobicContact CG-CE1 4.32Å; T57-Y101 WeakPolarHBondContact CB-OH 3.27Å; T57-Y101 PolarHBondContact OG1-OH 3.12Å; L59-Y101 HydrophobicContact CB-CE1 4.04Å; L59-Y101 HydrophobicContact CD1-CD2 4.48Å; L59-Y101 HydrophobicContact CD1-CE1 4.48Å; L59-Y101 HydrophobicContact CD1-CE2 3.89Å; I97-Y101 HydrophobicContact CG2-CE2 3.91Å; I97-Y101 WeakPolarHBondContact O-CD2 3.21Å; L98-Y101 PolarHBondContact O-N 2.98Å; Y101-I126 HydrophobicContact CE2-CD1 4.16Å
102	R	93.6	Very high	91.3	Very high	92 Å²	92	48.5 Å²	48.5	35%	0.347	26%	0.257	S	S	.	.	H	α-helix	trans	-72	-37.9	-178.2	-72.9	175.2	169.9	164.7	-4.3	113.8	E45 T50 R53 L98 N99 F100	E45-R102 PolarHBondContact O-NH2 3.15Å; T50-R102 HydrophobicContact CG2-CG 4.14Å; R53-R102 VanDerWaalsContact NH1-C 3.34Å; R53-R102 PolarHBondContact NH1-O 2.86Å; L98-R102 HydrophobicContact CD1-CG 4.42Å; L98-R102 PolarHBondContact O-N 2.82Å; L98-R102 VanDerWaalsContact O-N 3.12Å; N99-R102 PolarHBondContact O-N 3.45Å; F100-R102 VanDerWaalsContact C-N 3.31Å; F100-R102 PolarHBondContact O-N 3.36Å
103	T	92.2	Very high	91.3	Very high	87 Å²	87	50.2 Å²	50.2	53%	0.534	26%	0.264	S	S	.	.	H	α-helix	trans	-115.6	-14.1	-169.8	66.1	0	0	0	0	115	N99 K105	N99-T103 WeakPolarHBondContact O-CB 3.31Å; N99-T103 PolarHBondContact O-N 3.25Å; N99-T103 PolarHBondContact O-OG1 3.4Å; T103-K105 PolarHBondContact O-N 3.08Å; T103-K105 PolarHBondContact OG1-N 3.12Å; T103-K105 VanDerWaalsContact OG1-N 3.1Å; T103-K105 PolarHBondContact OG1-O 3.28Å
104	G	90.6	Very high	91.3	Very high	54 Å²	54	50.3 Å²	50.3	56%	0.557	26%	0.264	S	S	*	.	S	Bend	trans	73	3.2	-167.7	0	0	0	0	0	114.4	F100	F100-G104 WeakPolarHBondContact CE2-O 3.41Å; F100-G104 VanDerWaalsContact O-CA 3.26Å; F100-G104 WeakPolarHBondContact O-CA 3.47Å; F100-G104 PolarHBondContact O-N 3.15Å
105	K	91.2	Very high	91	Very high	103 Å²	103	51.9 Å²	51.9	45%	0.448	27%	0.273	S	S	.	.			trans	-118.9	122.7	-176.3	-66.5	177.5	173.7	-90.8	0	111.5	T103 E132	T103-K105 PolarHBondContact O-N 3.08Å; T103-K105 PolarHBondContact OG1-N 3.12Å; T103-K105 VanDerWaalsContact OG1-N 3.1Å; T103-K105 PolarHBondContact OG1-O 3.28Å; K105-E132 HydrophobicContact CB-CG 4.06Å; K105-E132 HydrophobicContact CG-CG 4.26Å; K105-E132 WeakPolarHBondContact CG-OE1 3.48Å; K105-E132 IonicContact NZ-OE1 2.79Å; K105-E132 PolarHBondContact NZ-OE1 3.2Å
106	L	94.8	Very high	90.9	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-96.3	128	177.5	-178	69.9	0	0	0	109.8	F100 F117 L121 I126 Y130 L131 E132	F100-L106 HydrophobicContact CB-CB 4.23Å; F100-L106 HydrophobicContact CB-CD1 3.93Å; F100-L106 HydrophobicContact CD2-CB 3.82Å; F100-L106 HydrophobicContact CE2-CB 4.34Å; F100-L106 HydrophobicContact CG-CB 4.01Å; F100-L106 HydrophobicContact CG-CD1 4.26Å; L106-F117 HydrophobicContact CD1-CZ 4.14Å; L106-L121 HydrophobicContact CD1-CD2 4.09Å; L106-L121 HydrophobicContact CD2-CD1 4.41Å; L106-L121 HydrophobicContact CD2-CD2 3.67Å; L106-L121 HydrophobicContact CG-CD2 4.48Å; L106-I126 HydrophobicContact CD2-CG2 4.1Å; L106-Y130 WeakPolarHBondContact CB-O 3.1Å; L106-L131 HydrophobicContact CD2-CB 4.24Å; L106-L131 HydrophobicContact CD2-CD1 4.19Å; L106-L131 HydrophobicContact CG-CD1 4.02Å; L106-E132 WeakPolarHBondContact O-CB 3.11Å; L106-E132 PolarHBondContact O-N 3.45Å
107	H	93.3	Very high	90.9	Very high	75 Å²	75	50.7 Å²	50.7	35%	0.347	27%	0.267	S	S	.	.			trans	-132.1	138.4	176.2	-66.2	-75.4	0	0	0	110.7	S96 E132 C134 C135	S96-H107 WeakPolarHBondContact CB-O 3.28Å; S96-H107 PolarHBondContact OG-O 3.41Å; H107-E132 WeakPolarHBondContact CE1-CB 3.43Å; H107-C134 VanDerWaalsContact CE1-SG 3.55Å; H107-C135 PolarHBondContact ND1-SG 3.4Å
108	M	91.2	Very high	90.7	Very high	15 Å²	15	51.1 Å²	51.1	7%	0.074	27%	0.27	C	S	.	.			trans	-85.8	135.5	173.6	-179.4	-172.7	59.4	0	0	110.3	M112 F117 L131 C135 R138 Y139	M108-M112 HydrophobicContact CG-CB 4.45Å; M108-F117 HydrophobicContact CB-CD1 3.91Å; M108-F117 HydrophobicContact CB-CE1 3.7Å; M108-F117 HydrophobicContact CB-CZ 4.28Å; M108-F117 HydrophobicContact CG-CD1 3.76Å; M108-F117 HydrophobicContact CG-CE1 4.07Å; M108-F117 HydrophobicContact CG-CG 4.1Å; M108-F117 HydrophobicContact SD-CD1 4.31Å; M108-L131 HydrophobicContact CB-CD1 4.47Å; M108-C135 HydrophobicContact CB-CB 4.49Å; M108-R138 HydrophobicContact CE-CG 4.03Å; M108-Y139 HydrophobicContact SD-CD2 3.67Å; M108-Y139 HydrophobicContact SD-CE2 4.48Å
109	M	88.2	Confident	90.6	Very high	81 Å²	81	56.7 Å²	56.7	40%	0.399	30%	0.296	S	S	.	.			trans	-66.7	144.3	173.9	-70.6	175.9	66.4	0	0	112.8	E111 M112	M109-E111 PolarHBondContact O-N 3.33Å; M109-M112 HydrophobicContact CB-CB 4.32Å; M109-M112 HydrophobicContact CB-CE 4.32Å; M109-M112 PolarHBondContact O-N 3.43Å; M109-M112 HydrophobicContact SD-CE 3.99Å
110	E	81.1	Confident	90.6	Very high	128 Å²	128	53.8 Å²	53.8	60%	0.598	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45	-55.6	-177.8	-177.2	67.3	-128	0	0	113.1	M112 R138	E110-M112 VanDerWaalsContact C-N 3.34Å; E110-M112 PolarHBondContact O-N 3.03Å; E110-R138 VanDerWaalsContact CD-NH1 3.26Å; E110-R138 VanDerWaalsContact CD-NH2 3.29Å; E110-R138 PolarHBondContact O-NH2 2.9Å; E110-R138 IonicContact OE1-CZ 3.84Å; E110-R138 IonicContact OE1-NH1 2.78Å; E110-R138 PolarHBondContact OE1-NH1 3.18Å; E110-R138 IonicContact OE1-NH2 3.07Å; E110-R138 PolarHBondContact OE1-NH2 3.36Å; E110-R138 IonicContact OE2-CZ 3.17Å; E110-R138 IonicContact OE2-NH1 2.73Å; E110-R138 PolarHBondContact OE2-NH1 2.68Å; E110-R138 VanDerWaalsContact OE2-NH1 3.11Å; E110-R138 IonicContact OE2-NH2 2.8Å
111	E	83.4	Confident	90.6	Very high	187 Å²	187	53.3 Å²	53.3	87%	0.874	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-6.7	-171	-58.2	-178.8	162.6	0	0	113.9	M109	M109-E111 PolarHBondContact O-N 3.33Å
112	M	86.1	Confident	90.6	Very high	22 Å²	22	58.5 Å²	58.5	11%	0.108	31%	0.306	C	S	.	.			trans	-76.2	139.9	-169.7	-159.3	156.8	-70.8	0	0	113.1	A93 M108 M109 E110 A114 F117	A93-M112 HydrophobicContact CB-CE 3.97Å; A93-M112 HydrophobicContact CB-SD 3.8Å; M108-M112 HydrophobicContact CG-CB 4.45Å; M109-M112 HydrophobicContact CB-CB 4.32Å; M109-M112 HydrophobicContact CB-CE 4.32Å; M109-M112 PolarHBondContact O-N 3.43Å; M109-M112 HydrophobicContact SD-CE 3.99Å; E110-M112 VanDerWaalsContact C-N 3.34Å; E110-M112 PolarHBondContact O-N 3.03Å; M112-A114 PolarHBondContact O-N 2.93Å; M112-F117 HydrophobicContact CG-CB 4.21Å; M112-F117 HydrophobicContact SD-CB 4.08Å; M112-F117 HydrophobicContact SD-CD2 3.61Å; M112-F117 HydrophobicContact SD-CE2 4.46Å; M112-F117 HydrophobicContact SD-CG 4.2Å
113	C	88	Confident	90.6	Very high	60 Å²	60	55.9 Å²	55.9	41%	0.405	30%	0.296	S	S	.	.			trans	-66.8	120.8	169.1	171.2	0	0	0	0	110	L115 S116 F117 M146	C113-L115 VanDerWaalsContact C-N 3.34Å; C113-L115 PolarHBondContact O-N 3.44Å; C113-S116 WeakPolarHBondContact O-CA 3.49Å; C113-S116 WeakPolarHBondContact O-CB 3.44Å; C113-S116 PolarHBondContact O-N 3.27Å; C113-F117 PolarHBondContact O-N 3.18Å; C113-M146 VanDerWaalsContact SG-CE 3.5Å
114	A	90.4	Very high	90.7	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.008	27%	0.271	C	S	.	.	H	α-helix	trans	-60.6	-37.9	-175.2	0	0	0	0	0	113.4	M112 F117 S118 Y139 K142 K143 M146	M112-A114 PolarHBondContact O-N 2.93Å; A114-F117 PolarHBondContact O-N 3.16Å; A114-S118 PolarHBondContact O-N 2.68Å; A114-Y139 HydrophobicContact CB-CD2 4.04Å; A114-Y139 HydrophobicContact CB-CE2 4.14Å; A114-Y139 WeakPolarHBondContact O-CE2 3.31Å; A114-K142 HydrophobicContact CB-CB 3.68Å; A114-K143 HydrophobicContact CB-CB 4.2Å; A114-M146 HydrophobicContact CB-CE 4.29Å
115	L	89	Confident	90.8	Very high	34 Å²	34	51.3 Å²	51.3	18%	0.178	27%	0.266	C	S	.	.	H	α-helix	trans	-68	-34.2	173.8	-75	175.5	0	0	0	112.5	C113 S118 Q119 K143 M146 L150	C113-L115 VanDerWaalsContact C-N 3.34Å; C113-L115 PolarHBondContact O-N 3.44Å; L115-S118 WeakPolarHBondContact O-CB 3.2Å; L115-S118 PolarHBondContact O-N 3.39Å; L115-Q119 VanDerWaalsContact O-CG 3.28Å; L115-Q119 WeakPolarHBondContact O-CG 3.29Å; L115-Q119 PolarHBondContact O-N 3.11Å; L115-K143 HydrophobicContact CD2-CG 4.15Å; L115-M146 HydrophobicContact CB-CE 4.08Å; L115-M146 HydrophobicContact CD1-CB 4.27Å; L115-M146 HydrophobicContact CD1-CE 4.19Å; L115-M146 HydrophobicContact CD1-CG 3.73Å; L115-M146 HydrophobicContact CD1-SD 4.21Å; L115-M146 HydrophobicContact CG-CE 3.94Å; L115-M146 HydrophobicContact CG-CG 4.42Å; L115-L150 HydrophobicContact CD1-CD2 4.4Å
116	S	89.9	Confident	91	Very high	42 Å²	42	46.7 Å²	46.7	29%	0.294	25%	0.247	S	C	.	.	H	α-helix	trans	-69.3	-36.9	174.6	-175.6	0	0	0	0	111.4	C113 Q119 E120	C113-S116 WeakPolarHBondContact O-CA 3.49Å; C113-S116 WeakPolarHBondContact O-CB 3.44Å; C113-S116 PolarHBondContact O-N 3.27Å; S116-Q119 PolarHBondContact O-N 3Å; S116-E120 WeakPolarHBondContact O-CG 3.4Å; S116-E120 PolarHBondContact O-N 3.48Å; S116-E120 VanDerWaalsContact O-N 3.14Å
117	F	93.3	Very high	90.9	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-67.5	-39.6	173.7	-167.3	-121.5	0	0	0	111.6	L106 M108 M112 C113 A114 Q119 E120 L121 L131 Y139	L106-F117 HydrophobicContact CD1-CZ 4.14Å; M108-F117 HydrophobicContact CB-CD1 3.91Å; M108-F117 HydrophobicContact CB-CE1 3.7Å; M108-F117 HydrophobicContact CB-CZ 4.28Å; M108-F117 HydrophobicContact CG-CD1 3.76Å; M108-F117 HydrophobicContact CG-CE1 4.07Å; M108-F117 HydrophobicContact CG-CG 4.1Å; M108-F117 HydrophobicContact SD-CD1 4.31Å; M112-F117 HydrophobicContact CG-CB 4.21Å; M112-F117 HydrophobicContact SD-CB 4.08Å; M112-F117 HydrophobicContact SD-CD2 3.61Å; M112-F117 HydrophobicContact SD-CE2 4.46Å; M112-F117 HydrophobicContact SD-CG 4.2Å; C113-F117 PolarHBondContact O-N 3.18Å; A114-F117 PolarHBondContact O-N 3.16Å; F117-Q119 PolarHBondContact O-N 3.36Å; F117-E120 PolarHBondContact O-N 2.87Å; F117-E120 VanDerWaalsContact O-N 3.17Å; F117-L121 HydrophobicContact CD1-CD1 3.9Å; F117-L121 HydrophobicContact CD1-CG 4.38Å; F117-L121 HydrophobicContact CE1-CD1 3.81Å; F117-L121 HydrophobicContact CE1-CD2 4.39Å; F117-L121 HydrophobicContact CE1-CG 4.24Å; F117-L121 HydrophobicContact CZ-CD1 4.43Å; F117-L121 HydrophobicContact CZ-CD2 4.23Å; F117-L121 HydrophobicContact CZ-CG 4.42Å; F117-L121 WeakPolarHBondContact O-CG 3.28Å; F117-L121 PolarHBondContact O-N 3.14Å; F117-L131 HydrophobicContact CE1-CD1 4.27Å; F117-Y139 HydrophobicContact CB-CE2 4.35Å; F117-Y139 HydrophobicContact CD1-CD2 4.2Å; F117-Y139 AromaticContact CD1-CE2 3.87Å; F117-Y139 HydrophobicContact CD1-CE2 3.87Å
118	S	91.9	Very high	90.8	Very high	8 Å²	8	48.9 Å²	48.9	6%	0.056	26%	0.26	C	S	.	.	H	α-helix	trans	-53.2	-51.3	170.2	-163.6	0	0	0	0	111.5	A114 L115 E120 L121 D122 E128 Y139 K143	A114-S118 PolarHBondContact O-N 2.68Å; L115-S118 WeakPolarHBondContact O-CB 3.2Å; L115-S118 PolarHBondContact O-N 3.39Å; S118-E120 PolarHBondContact O-N 2.92Å; S118-L121 PolarHBondContact O-N 3.27Å; S118-L121 VanDerWaalsContact O-N 3.16Å; S118-D122 WeakPolarHBondContact O-CB 3.39Å; S118-D122 VanDerWaalsContact O-CG 3.28Å; S118-D122 PolarHBondContact O-N 2.97Å; S118-E128 PolarHBondContact OG-OE1 2.75Å; S118-Y139 WeakPolarHBondContact CA-OH 3.27Å; S118-Y139 WeakPolarHBondContact CB-OH 3.45Å; S118-Y139 PolarHBondContact N-OH 2.95Å; S118-Y139 PolarHBondContact OG-OH 3.25Å; S118-K143 PolarHBondContact OG-NZ 3.17Å
119	Q	91.6	Very high	90.7	Very high	120 Å²	120	53.6 Å²	53.6	56%	0.561	28%	0.284	S	S	*	.	H	α-helix	trans	-66.7	-20.8	-179.4	-71	168	-4	0	0	114.2	R89 L115 S116 F117 Y123	R89-Q119 PolarHBondContact NH2-O 3.46Å; L115-Q119 VanDerWaalsContact O-CG 3.28Å; L115-Q119 WeakPolarHBondContact O-CG 3.29Å; L115-Q119 PolarHBondContact O-N 3.11Å; S116-Q119 PolarHBondContact O-N 3Å; F117-Q119 PolarHBondContact O-N 3.36Å; Q119-Y123 WeakPolarHBondContact O-CB 3.46Å; Q119-Y123 PolarHBondContact O-N 3.23Å
120	E	94.3	Very high	90.9	Very high	8 Å²	8	55.5 Å²	55.5	4%	0.037	29%	0.288	C	S	.	.	H	α-helix	trans	-80.2	-48.8	169.8	-72.8	-73.1	134.2	0	0	110.4	R89 A93 S116 F117 S118 D122 Y123 W124	R89-E120 IonicContact CZ-OE1 2.89Å; R89-E120 IonicContact NE-OE1 2.83Å; R89-E120 PolarHBondContact NE-OE1 3.19Å; R89-E120 IonicContact NE-OE2 3.43Å; R89-E120 IonicContact NH2-OE1 3.15Å; R89-E120 PolarHBondContact NH2-OE1 2.83Å; A93-E120 HydrophobicContact CB-CB 4.15Å; A93-E120 HydrophobicContact CB-CG 3.62Å; S116-E120 WeakPolarHBondContact O-CG 3.4Å; S116-E120 PolarHBondContact O-N 3.48Å; S116-E120 VanDerWaalsContact O-N 3.14Å; F117-E120 PolarHBondContact O-N 2.87Å; F117-E120 VanDerWaalsContact O-N 3.17Å; S118-E120 PolarHBondContact O-N 2.92Å; E120-D122 VanDerWaalsContact C-N 3.32Å; E120-D122 PolarHBondContact O-N 2.99Å; E120-Y123 PolarHBondContact O-N 3.16Å; E120-Y123 VanDerWaalsContact O-N 3.08Å; E120-W124 PolarHBondContact O-N 3.45Å; E120-W124 PolarHBondContact OE2-NE1 2.99Å
121	L	93.7	Very high	91.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-54.2	-47.3	175.3	-68.7	173.9	0	0	0	111.8	I97 L106 F117 S118 Y123 W124 G125 I126 E128	I97-L121 HydrophobicContact CD1-CD2 3.67Å; L106-L121 HydrophobicContact CD1-CD2 4.09Å; L106-L121 HydrophobicContact CD2-CD1 4.41Å; L106-L121 HydrophobicContact CD2-CD2 3.67Å; L106-L121 HydrophobicContact CG-CD2 4.48Å; F117-L121 HydrophobicContact CD1-CD1 3.9Å; F117-L121 HydrophobicContact CD1-CG 4.38Å; F117-L121 HydrophobicContact CE1-CD1 3.81Å; F117-L121 HydrophobicContact CE1-CD2 4.39Å; F117-L121 HydrophobicContact CE1-CG 4.24Å; F117-L121 HydrophobicContact CZ-CD1 4.43Å; F117-L121 HydrophobicContact CZ-CD2 4.23Å; F117-L121 HydrophobicContact CZ-CG 4.42Å; F117-L121 WeakPolarHBondContact O-CG 3.28Å; F117-L121 PolarHBondContact O-N 3.14Å; S118-L121 PolarHBondContact O-N 3.27Å; S118-L121 VanDerWaalsContact O-N 3.16Å; L121-Y123 PolarHBondContact O-N 3.01Å; L121-W124 PolarHBondContact O-N 2.96Å; L121-G125 PolarHBondContact O-N 2.98Å; L121-I126 HydrophobicContact CD2-CB 4.07Å; L121-I126 HydrophobicContact CD2-CG2 3.87Å; L121-I126 PolarHBondContact O-N 3.02Å; L121-E128 HydrophobicContact CD1-CG 4.33Å
122	D	94.1	Very high	92	Very high	112 Å²	112	43.1 Å²	43.1	60%	0.599	23%	0.23	S	C	*	.	H	α-helix	trans	-56.4	-46.3	174.3	-70.3	-36.3	0	0	0	112.1	S118 E120 G125	S118-D122 WeakPolarHBondContact O-CB 3.39Å; S118-D122 VanDerWaalsContact O-CG 3.28Å; S118-D122 PolarHBondContact O-N 2.97Å; E120-D122 VanDerWaalsContact C-N 3.32Å; E120-D122 PolarHBondContact O-N 2.99Å; D122-G125 PolarHBondContact O-N 3.39Å
123	Y	94.4	Very high	92.2	Very high	37 Å²	37	46.2 Å²	46.2	15%	0.145	25%	0.254	C	S	.	.	H	α-helix	trans	-69.1	-42.1	-178.7	172.7	-94.3	0	0	0	112.7	R58 F87 R89 Q119 E120 L121 G125	R58-Y123 VanDerWaalsContact CD-CE1 3.43Å; R58-Y123 PolarHBondContact NE-O 2.84Å; F87-Y123 HydrophobicContact CD1-CE1 4.47Å; R89-Y123 HydrophobicContact CG-CD1 4Å; R89-Y123 HydrophobicContact CG-CE1 3.52Å; R89-Y123 VanDerWaalsContact CZ-CG 3.48Å; Q119-Y123 WeakPolarHBondContact O-CB 3.46Å; Q119-Y123 PolarHBondContact O-N 3.23Å; E120-Y123 PolarHBondContact O-N 3.16Å; E120-Y123 VanDerWaalsContact O-N 3.08Å; L121-Y123 PolarHBondContact O-N 3.01Å; Y123-G125 PolarHBondContact O-N 2.77Å
124	W	95	Very high	92.3	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-74.6	-11.1	176.2	-63.2	112.5	0	0	0	112.3	V39 T57 R58 L59 F87 R89 F94 I97 E120 L121 I126	V39-W124 HydrophobicContact CG1-CZ2 4.2Å; V39-W124 HydrophobicContact CG2-CH2 4.28Å; T57-W124 VanDerWaalsContact CB-O 3.29Å; T57-W124 WeakPolarHBondContact CB-O 3.42Å; R58-W124 HydrophobicContact CB-CE3 4.23Å; R58-W124 HydrophobicContact CG-CE3 4.37Å; R58-W124 PolarHBondContact N-O 3.2Å; L59-W124 HydrophobicContact CD2-CE3 4.21Å; L59-W124 HydrophobicContact CD2-CZ3 3.72Å; L59-W124 HydrophobicContact CG-CE3 4.05Å; L59-W124 HydrophobicContact CG-CZ3 4.07Å; F87-W124 HydrophobicContact CB-CH2 3.88Å; F87-W124 AromaticContact CD1-CH2 3.65Å; F87-W124 HydrophobicContact CD1-CH2 3.65Å; F87-W124 AromaticContact CD1-CZ3 3.77Å; F87-W124 HydrophobicContact CD1-CZ3 3.77Å; F87-W124 HydrophobicContact CD2-CH2 4.17Å; F87-W124 HydrophobicContact CE1-CH2 4.19Å; F87-W124 AromaticContact CE1-CZ3 3.86Å; F87-W124 HydrophobicContact CE1-CZ3 3.86Å; F87-W124 AromaticContact CG-CH2 3.64Å; F87-W124 HydrophobicContact CG-CH2 3.64Å; F87-W124 HydrophobicContact CG-CZ3 4.17Å; F87-W124 HydrophobicContact CZ-CZ3 4.36Å; R89-W124 HydrophobicContact CB-CZ2 4.13Å; R89-W124 HydrophobicContact CG-CZ2 4.19Å; F94-W124 HydrophobicContact CD2-CD2 4.34Å; F94-W124 AromaticContact CD2-CE2 3.71Å; F94-W124 AromaticContact CD2-CH2 3.75Å; F94-W124 HydrophobicContact CD2-CH2 3.75Å; F94-W124 AromaticContact CD2-CZ2 3.4Å; F94-W124 HydrophobicContact CD2-CZ2 3.4Å; F94-W124 VanDerWaalsContact CD2-CZ2 3.4Å; F94-W124 HydrophobicContact CD2-CZ3 4.35Å; F94-W124 HydrophobicContact CE2-CD2 4.39Å; F94-W124 HydrophobicContact CE2-CE3 4.24Å; F94-W124 AromaticContact CE2-CH2 3.59Å; F94-W124 HydrophobicContact CE2-CH2 3.59Å; F94-W124 AromaticContact CE2-CZ2 3.76Å; F94-W124 HydrophobicContact CE2-CZ2 3.76Å; F94-W124 AromaticContact CE2-CZ3 3.86Å; F94-W124 HydrophobicContact CE2-CZ3 3.86Å; F94-W124 HydrophobicContact CG-CZ2 4.45Å; I97-W124 HydrophobicContact CD1-CB 4.45Å; I97-W124 HydrophobicContact CD1-CG 4.32Å; I97-W124 HydrophobicContact CG1-CG 4.27Å; I97-W124 HydrophobicContact CG2-CB 4.15Å; I97-W124 HydrophobicContact CG2-CD2 4.25Å; I97-W124 HydrophobicContact CG2-CG 3.86Å; E120-W124 PolarHBondContact O-N 3.45Å; E120-W124 PolarHBondContact OE2-NE1 2.99Å; L121-W124 PolarHBondContact O-N 2.96Å; W124-I126 HydrophobicContact CB-CD1 4.05Å
125	G	92.9	Very high	92.4	Very high	45 Å²	45	48.5 Å²	48.5	46%	0.464	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.7	36	178.1	0	0	0	0	0	113.1	L121 D122 Y123	L121-G125 PolarHBondContact O-N 2.98Å; D122-G125 PolarHBondContact O-N 3.39Å; Y123-G125 PolarHBondContact O-N 2.77Å
126	I	95.1	Very high	92.5	Very high	6 Å²	6	50.5 Å²	50.5	3%	0.031	28%	0.277	C	S	.	.			trans	-109.4	126.7	179.2	-66.8	160.8	0	0	0	108.3	T57 I97 F100 Y101 L106 L121 W124 Y130	T57-I126 HydrophobicContact CG2-CG1 3.74Å; I97-I126 HydrophobicContact CD1-CD1 4.02Å; I97-I126 HydrophobicContact CG2-CD1 3.79Å; F100-I126 HydrophobicContact CD1-CD1 3.96Å; F100-I126 HydrophobicContact CD1-CG1 4.28Å; F100-I126 HydrophobicContact CD1-CG2 3.98Å; F100-I126 HydrophobicContact CE1-CD1 4.41Å; F100-I126 HydrophobicContact CE1-CG1 4.23Å; F100-I126 HydrophobicContact CE1-CG2 3.67Å; Y101-I126 HydrophobicContact CE2-CD1 4.16Å; L106-I126 HydrophobicContact CD2-CG2 4.1Å; L121-I126 HydrophobicContact CD2-CB 4.07Å; L121-I126 HydrophobicContact CD2-CG2 3.87Å; L121-I126 PolarHBondContact O-N 3.02Å; W124-I126 HydrophobicContact CB-CD1 4.05Å; I126-Y130 HydrophobicContact CG2-CD2 4.18Å
127	D	91.5	Very high	92.4	Very high	86 Å²	86	52 Å²	52	46%	0.46	29%	0.293	S	S	.	.			trans	-75.5	144.6	-179.7	-164.2	-39.8	0	0	0	111.4	I129 Y130	D127-I129 HydrophobicContact CB-CD1 4.28Å; D127-I129 HydrophobicContact CB-CG1 3.91Å; D127-I129 PolarHBondContact O-N 3.43Å; D127-I129 WeakPolarHBondContact OD1-CG2 3.44Å; D127-I129 PolarHBondContact OD1-N 2.79Å; D127-I129 VanDerWaalsContact OD1-N 3.12Å; D127-Y130 HydrophobicContact CB-CD2 3.91Å; D127-Y130 HydrophobicContact CB-CE2 3.82Å; D127-Y130 VanDerWaalsContact O-CD2 3.31Å; D127-Y130 WeakPolarHBondContact O-CD2 3.26Å; D127-Y130 PolarHBondContact O-N 2.97Å
128	E	91.2	Very high	92.2	Very high	34 Å²	34	55.9 Å²	55.9	16%	0.159	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-66.3	-21	-179.4	-49.9	-164.2	142.4	0	0	112.4	S118 L121 Y130 L131 Y139 K143	S118-E128 PolarHBondContact OG-OE1 2.75Å; L121-E128 HydrophobicContact CD1-CG 4.33Å; E128-Y130 PolarHBondContact O-N 2.88Å; E128-Y130 VanDerWaalsContact O-N 3.15Å; E128-L131 VanDerWaalsContact O-CB 3.23Å; E128-L131 WeakPolarHBondContact O-CB 3.43Å; E128-L131 PolarHBondContact O-N 3.34Å; E128-L131 VanDerWaalsContact O-N 3.1Å; E128-Y139 HydrophobicContact CB-CE1 4.39Å; E128-Y139 HydrophobicContact CG-CE1 4.34Å; E128-Y139 PolarHBondContact OE1-OH 2.96Å; E128-K143 IonicContact OE1-NZ 3.75Å; E128-K143 PolarHBondContact OE1-NZ 3.16Å; E128-K143 IonicContact OE2-NZ 3.88Å; E128-K143 PolarHBondContact OE2-NZ 3.13Å
129	I	89.7	Confident	92.2	Very high	115 Å²	115	55.5 Å²	55.5	59%	0.59	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-60.8	-18.9	174.3	67.7	-175.4	0	0	0	113.9	D127 L131	D127-I129 HydrophobicContact CB-CD1 4.28Å; D127-I129 HydrophobicContact CB-CG1 3.91Å; D127-I129 PolarHBondContact O-N 3.43Å; D127-I129 WeakPolarHBondContact OD1-CG2 3.44Å; D127-I129 PolarHBondContact OD1-N 2.79Å; D127-I129 VanDerWaalsContact OD1-N 3.12Å; I129-L131 VanDerWaalsContact C-N 3.28Å
130	Y	91.4	Very high	92.2	Very high	121 Å²	121	52.7 Å²	52.7	48%	0.475	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-80.8	-7	177.6	-64.4	-63.8	0	0	0	113.6	F100 L106 I126 D127 E128 E132	F100-Y130 HydrophobicContact CE1-CD2 4.35Å; F100-Y130 HydrophobicContact CE1-CG 4.3Å; F100-Y130 HydrophobicContact CE2-CD1 4.44Å; F100-Y130 HydrophobicContact CE2-CG 4.26Å; F100-Y130 AromaticContact CZ-CD1 3.89Å; F100-Y130 HydrophobicContact CZ-CD1 3.89Å; F100-Y130 HydrophobicContact CZ-CD2 4Å; F100-Y130 AromaticContact CZ-CG 3.55Å; F100-Y130 HydrophobicContact CZ-CG 3.55Å; L106-Y130 WeakPolarHBondContact CB-O 3.1Å; I126-Y130 HydrophobicContact CG2-CD2 4.18Å; D127-Y130 HydrophobicContact CB-CD2 3.91Å; D127-Y130 HydrophobicContact CB-CE2 3.82Å; D127-Y130 VanDerWaalsContact O-CD2 3.31Å; D127-Y130 WeakPolarHBondContact O-CD2 3.26Å; D127-Y130 PolarHBondContact O-N 2.97Å; E128-Y130 PolarHBondContact O-N 2.88Å; E128-Y130 VanDerWaalsContact O-N 3.15Å; Y130-E132 PolarHBondContact O-N 2.95Å
131	L	93.7	Very high	91.9	Very high	4 Å²	4	58.8 Å²	58.8	2%	0.021	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-70.8	122.2	-177.8	-172.5	63.4	0	0	0	111.4	L106 M108 F117 E128 I129 C135 Y139	L106-L131 HydrophobicContact CD2-CB 4.24Å; L106-L131 HydrophobicContact CD2-CD1 4.19Å; L106-L131 HydrophobicContact CG-CD1 4.02Å; M108-L131 HydrophobicContact CB-CD1 4.47Å; F117-L131 HydrophobicContact CE1-CD1 4.27Å; E128-L131 VanDerWaalsContact O-CB 3.23Å; E128-L131 WeakPolarHBondContact O-CB 3.43Å; E128-L131 PolarHBondContact O-N 3.34Å; E128-L131 VanDerWaalsContact O-N 3.1Å; I129-L131 VanDerWaalsContact C-N 3.28Å; L131-C135 HydrophobicContact CD1-CB 3.71Å; L131-C135 HydrophobicContact CD2-CB 4.33Å; L131-C135 HydrophobicContact CG-CB 3.92Å; L131-Y139 HydrophobicContact CD2-CD1 3.52Å; L131-Y139 HydrophobicContact CD2-CD2 4.28Å; L131-Y139 HydrophobicContact CD2-CE1 4.35Å; L131-Y139 HydrophobicContact CD2-CG 3.46Å; L131-Y139 VanDerWaalsContact CD2-CG 3.46Å
132	E	94.1	Very high	91.6	Very high	50 Å²	50	62.2 Å²	62.2	23%	0.234	34%	0.335	C	S	.	.			trans	-60.3	146.2	-177	-88.3	-79.7	-158.7	0	0	113.2	K105 L106 H107 Y130 C134 C135 Q136	K105-E132 HydrophobicContact CB-CG 4.06Å; K105-E132 HydrophobicContact CG-CG 4.26Å; K105-E132 WeakPolarHBondContact CG-OE1 3.48Å; K105-E132 IonicContact NZ-OE1 2.79Å; K105-E132 PolarHBondContact NZ-OE1 3.2Å; L106-E132 WeakPolarHBondContact O-CB 3.11Å; L106-E132 PolarHBondContact O-N 3.45Å; H107-E132 WeakPolarHBondContact CE1-CB 3.43Å; Y130-E132 PolarHBondContact O-N 2.95Å; E132-C134 PolarHBondContact O-N 2.92Å; E132-C135 WeakPolarHBondContact O-CA 3.31Å; E132-C135 PolarHBondContact O-N 3.32Å; E132-Q136 PolarHBondContact O-N 3.02Å
133	S	90.7	Very high	91.3	Very high	88 Å²	88	59.1 Å²	59.1	62%	0.615	32%	0.316	S	S	*	.	H	α-helix	trans	-53.1	-34.3	-170.8	56.2	0	0	0	0	114.7	C135	S133-C135 VanDerWaalsContact C-N 3.3Å; S133-C135 PolarHBondContact O-N 2.7Å
134	C	90.4	Very high	90.9	Very high	93 Å²	93	63.5 Å²	63.5	63%	0.628	34%	0.338	S	S	*	.	H	α-helix	trans	-69.1	-23.6	176.7	61.4	0	0	0	0	114	H107 E132	H107-C134 VanDerWaalsContact CE1-SG 3.55Å; E132-C134 PolarHBondContact O-N 2.92Å
135	C	91.4	Very high	90.3	Very high	15 Å²	15	68.6 Å²	68.6	10%	0.101	36%	0.362	C	S	.	.	H	α-helix	trans	-98	-31.9	174.5	-65	0	0	0	0	112.2	H107 M108 L131 E132 S133 A137 R138 Y139	H107-C135 PolarHBondContact ND1-SG 3.4Å; M108-C135 HydrophobicContact CB-CB 4.49Å; L131-C135 HydrophobicContact CD1-CB 3.71Å; L131-C135 HydrophobicContact CD2-CB 4.33Å; L131-C135 HydrophobicContact CG-CB 3.92Å; E132-C135 WeakPolarHBondContact O-CA 3.31Å; E132-C135 PolarHBondContact O-N 3.32Å; S133-C135 VanDerWaalsContact C-N 3.3Å; S133-C135 PolarHBondContact O-N 2.7Å; C135-A137 PolarHBondContact O-N 2.89Å; C135-R138 PolarHBondContact O-N 2.89Å; C135-Y139 WeakPolarHBondContact O-CB 3.3Å; C135-Y139 PolarHBondContact O-N 3.22Å
136	Q	91.8	Very high	89.7	Confident	76 Å²	76	69.4 Å²	69.4	36%	0.355	35%	0.354	S	S	.	.	H	α-helix	trans	-55.7	-54	-169.2	-168.9	174.6	37.4	0	0	113.5	E132 R138 Y139 H140	E132-Q136 PolarHBondContact O-N 3.02Å; Q136-R138 PolarHBondContact O-N 2.98Å; Q136-Y139 WeakPolarHBondContact O-CB 3.38Å; Q136-Y139 PolarHBondContact O-N 3.16Å; Q136-H140 PolarHBondContact O-CD2 2.74Å; Q136-H140 PolarHBondContact O-N 3.4Å
137	A	89.1	Confident	89	Confident	75 Å²	75	72.4 Å²	72.4	62%	0.62	37%	0.37	S	S	*	.	H	α-helix	trans	-61.1	-43.9	-179.6	0	0	0	0	0	112.6	C135 Y139 Q141	C135-A137 PolarHBondContact O-N 2.89Å; A137-Y139 VanDerWaalsContact C-N 3.31Å; A137-Y139 PolarHBondContact O-N 3.49Å; A137-Q141 VanDerWaalsContact O-CB 3.26Å; A137-Q141 WeakPolarHBondContact O-CB 3.33Å; A137-Q141 PolarHBondContact O-N 2.95Å
138	R	89.2	Confident	88.3	Confident	80 Å²	80	73 Å²	73	30%	0.302	37%	0.37	S	S	.	.	H	α-helix	trans	-62.3	-38.1	176	174.5	-177.4	170.7	136	9.4	111.9	M108 E110 C135 Q136 K142	M108-R138 HydrophobicContact CE-CG 4.03Å; E110-R138 VanDerWaalsContact CD-NH1 3.26Å; E110-R138 VanDerWaalsContact CD-NH2 3.29Å; E110-R138 PolarHBondContact O-NH2 2.9Å; E110-R138 IonicContact OE1-CZ 3.84Å; E110-R138 IonicContact OE1-NH1 2.78Å; E110-R138 PolarHBondContact OE1-NH1 3.18Å; E110-R138 IonicContact OE1-NH2 3.07Å; E110-R138 PolarHBondContact OE1-NH2 3.36Å; E110-R138 IonicContact OE2-CZ 3.17Å; E110-R138 IonicContact OE2-NH1 2.73Å; E110-R138 PolarHBondContact OE2-NH1 2.68Å; E110-R138 VanDerWaalsContact OE2-NH1 3.11Å; E110-R138 IonicContact OE2-NH2 2.8Å; C135-R138 PolarHBondContact O-N 2.89Å; Q136-R138 PolarHBondContact O-N 2.98Å; R138-K142 WeakPolarHBondContact O-CB 3.42Å; R138-K142 WeakPolarHBondContact O-CG 3.48Å; R138-K142 PolarHBondContact O-N 2.96Å; R138-K142 VanDerWaalsContact O-N 3.14Å
139	Y	91.6	Very high	87.4	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-68.3	-55.5	179.3	174.7	-108.5	0	0	0	111.9	M108 A114 F117 S118 E128 L131 C135 Q136 A137 Q141 K142 K143	M108-Y139 HydrophobicContact SD-CD2 3.67Å; M108-Y139 HydrophobicContact SD-CE2 4.48Å; A114-Y139 HydrophobicContact CB-CD2 4.04Å; A114-Y139 HydrophobicContact CB-CE2 4.14Å; A114-Y139 WeakPolarHBondContact O-CE2 3.31Å; F117-Y139 HydrophobicContact CB-CE2 4.35Å; F117-Y139 HydrophobicContact CD1-CD2 4.2Å; F117-Y139 AromaticContact CD1-CE2 3.87Å; F117-Y139 HydrophobicContact CD1-CE2 3.87Å; S118-Y139 WeakPolarHBondContact CA-OH 3.27Å; S118-Y139 WeakPolarHBondContact CB-OH 3.45Å; S118-Y139 PolarHBondContact N-OH 2.95Å; S118-Y139 PolarHBondContact OG-OH 3.25Å; E128-Y139 HydrophobicContact CB-CE1 4.39Å; E128-Y139 HydrophobicContact CG-CE1 4.34Å; E128-Y139 PolarHBondContact OE1-OH 2.96Å; L131-Y139 HydrophobicContact CD2-CD1 3.52Å; L131-Y139 HydrophobicContact CD2-CD2 4.28Å; L131-Y139 HydrophobicContact CD2-CE1 4.35Å; L131-Y139 HydrophobicContact CD2-CG 3.46Å; L131-Y139 VanDerWaalsContact CD2-CG 3.46Å; C135-Y139 WeakPolarHBondContact O-CB 3.3Å; C135-Y139 PolarHBondContact O-N 3.22Å; Q136-Y139 WeakPolarHBondContact O-CB 3.38Å; Q136-Y139 PolarHBondContact O-N 3.16Å; A137-Y139 VanDerWaalsContact C-N 3.31Å; A137-Y139 PolarHBondContact O-N 3.49Å; Y139-Q141 VanDerWaalsContact C-N 3.34Å; Y139-Q141 PolarHBondContact O-N 2.59Å; Y139-K142 PolarHBondContact O-N 3.3Å; Y139-K143 HydrophobicContact CE1-CD 3.95Å; Y139-K143 VanDerWaalsContact O-CB 3.27Å; Y139-K143 WeakPolarHBondContact O-CB 3.29Å; Y139-K143 PolarHBondContact O-N 3.47Å
140	H	90.4	Very high	86.6	Confident	62 Å²	62	71.3 Å²	71.3	29%	0.287	36%	0.362	S	S	.	.	H	α-helix	trans	-60.2	-44.3	179.3	-70.1	-70.4	0	0	0	111.2	Q136 K142 K143 E144	Q136-H140 PolarHBondContact O-CD2 2.74Å; Q136-H140 PolarHBondContact O-N 3.4Å; H140-K142 PolarHBondContact O-N 2.74Å; H140-K143 PolarHBondContact O-N 2.75Å; H140-E144 WeakPolarHBondContact O-CB 3.28Å; H140-E144 WeakPolarHBondContact O-CG 3.46Å; H140-E144 PolarHBondContact O-N 3.08Å
141	Q	88.9	Confident	85.8	Confident	135 Å²	135	71.6 Å²	71.6	63%	0.631	37%	0.365	S	S	*	.	H	α-helix	trans	-57.8	-47.4	176.4	-172	-177.8	33.8	0	0	112.7	A137 Y139 Q145	A137-Q141 VanDerWaalsContact O-CB 3.26Å; A137-Q141 WeakPolarHBondContact O-CB 3.33Å; A137-Q141 PolarHBondContact O-N 2.95Å; Y139-Q141 VanDerWaalsContact C-N 3.34Å; Y139-Q141 PolarHBondContact O-N 2.59Å; Q141-Q145 VanDerWaalsContact O-CB 3.27Å; Q141-Q145 WeakPolarHBondContact O-CB 3.46Å; Q141-Q145 PolarHBondContact O-N 2.74Å
142	K	87.8	Confident	84.6	Confident	73 Å²	73	77.5 Å²	77.5	32%	0.317	39%	0.387	S	S	.	.	H	α-helix	trans	-67.5	-36.8	176.9	-76	-170	-178.9	-167.9	0	112.5	A114 R138 Y139 H140 M146	A114-K142 HydrophobicContact CB-CB 3.68Å; R138-K142 WeakPolarHBondContact O-CB 3.42Å; R138-K142 WeakPolarHBondContact O-CG 3.48Å; R138-K142 PolarHBondContact O-N 2.96Å; R138-K142 VanDerWaalsContact O-N 3.14Å; Y139-K142 PolarHBondContact O-N 3.3Å; H140-K142 PolarHBondContact O-N 2.74Å; K142-M146 VanDerWaalsContact O-CB 3.24Å; K142-M146 WeakPolarHBondContact O-CB 3.5Å; K142-M146 PolarHBondContact O-N 2.97Å
143	K	87.8	Confident	83.3	Confident	46 Å²	46	79.5 Å²	79.5	20%	0.2	40%	0.397	C	S	.	.	H	α-helix	trans	-68.4	-47.9	179	179.5	171.2	173.4	175.6	0	110.9	A114 L115 S118 E128 Y139 H140 N147	A114-K143 HydrophobicContact CB-CB 4.2Å; L115-K143 HydrophobicContact CD2-CG 4.15Å; S118-K143 PolarHBondContact OG-NZ 3.17Å; E128-K143 IonicContact OE1-NZ 3.75Å; E128-K143 PolarHBondContact OE1-NZ 3.16Å; E128-K143 IonicContact OE2-NZ 3.88Å; E128-K143 PolarHBondContact OE2-NZ 3.13Å; Y139-K143 HydrophobicContact CE1-CD 3.95Å; Y139-K143 VanDerWaalsContact O-CB 3.27Å; Y139-K143 WeakPolarHBondContact O-CB 3.29Å; Y139-K143 PolarHBondContact O-N 3.47Å; H140-K143 PolarHBondContact O-N 2.75Å; K143-N147 WeakPolarHBondContact O-CB 3.45Å; K143-N147 PolarHBondContact O-N 3.32Å
144	E	86.1	Confident	82.1	Confident	129 Å²	129	77.2 Å²	77.2	60%	0.603	38%	0.383	S	S	*	.	H	α-helix	trans	-64.2	-51.5	177.3	-72.4	179.1	165.8	0	0	111.7	H140 M146 N147 E148	H140-E144 WeakPolarHBondContact O-CB 3.28Å; H140-E144 WeakPolarHBondContact O-CG 3.46Å; H140-E144 PolarHBondContact O-N 3.08Å; E144-M146 VanDerWaalsContact C-N 3.29Å; E144-M146 PolarHBondContact O-N 3.2Å; E144-N147 PolarHBondContact O-N 3.39Å; E144-E148 WeakPolarHBondContact O-CG 2.97Å; E144-E148 PolarHBondContact O-N 3.37Å
145	Q	81.9	Confident	80.8	Confident	107 Å²	107	75.8 Å²	75.8	50%	0.5	37%	0.369	S	S	.	.	H	α-helix	trans	-54	-48	177.9	-177.9	-167.7	-25.1	0	0	111.1	Q141 E148 E149	Q141-Q145 VanDerWaalsContact O-CB 3.27Å; Q141-Q145 WeakPolarHBondContact O-CB 3.46Å; Q141-Q145 PolarHBondContact O-N 2.74Å; Q145-E148 PolarHBondContact O-N 2.66Å; Q145-E149 PolarHBondContact NE2-OE1 3.18Å; Q145-E149 PolarHBondContact O-N 2.88Å
146	M	80.2	Confident	79.4	Confident	63 Å²	63	79.1 Å²	79.1	31%	0.31	39%	0.386	S	S	.	.	H	α-helix	trans	-73	-33.4	-177	-171.3	162.4	34.4	0	0	112.5	C113 A114 L115 K142 E144 E149 L150	C113-M146 VanDerWaalsContact SG-CE 3.5Å; A114-M146 HydrophobicContact CB-CE 4.29Å; L115-M146 HydrophobicContact CB-CE 4.08Å; L115-M146 HydrophobicContact CD1-CB 4.27Å; L115-M146 HydrophobicContact CD1-CE 4.19Å; L115-M146 HydrophobicContact CD1-CG 3.73Å; L115-M146 HydrophobicContact CD1-SD 4.21Å; L115-M146 HydrophobicContact CG-CE 3.94Å; L115-M146 HydrophobicContact CG-CG 4.42Å; K142-M146 VanDerWaalsContact O-CB 3.24Å; K142-M146 WeakPolarHBondContact O-CB 3.5Å; K142-M146 PolarHBondContact O-N 2.97Å; E144-M146 VanDerWaalsContact C-N 3.29Å; E144-M146 PolarHBondContact O-N 3.2Å; M146-E149 PolarHBondContact O-N 3.25Å; M146-L150 VanDerWaalsContact O-CB 3.23Å; M146-L150 WeakPolarHBondContact O-CB 3.21Å; M146-L150 PolarHBondContact O-N 3.31Å
147	N	79.5	Confident	77.9	Confident	68 Å²	68	77.8 Å²	77.8	36%	0.364	38%	0.381	S	S	.	.	H	α-helix	trans	-70.4	-33.8	172.7	-165.3	31.9	0	0	0	111.7	K143 E144 K151	K143-N147 WeakPolarHBondContact O-CB 3.45Å; K143-N147 PolarHBondContact O-N 3.32Å; E144-N147 PolarHBondContact O-N 3.39Å; N147-K151 WeakPolarHBondContact O-CB 3.25Å; N147-K151 PolarHBondContact O-N 2.95Å
148	E	77.6	Confident	76.4	Confident	98 Å²	98	80.6 Å²	80.6	46%	0.458	38%	0.379	S	S	.	.	H	α-helix	trans	-68.1	-43.9	169.9	-72.6	-154.3	119.4	0	0	112.4	E144 Q145 L150 K151 R152	E144-E148 WeakPolarHBondContact O-CG 2.97Å; E144-E148 PolarHBondContact O-N 3.37Å; Q145-E148 PolarHBondContact O-N 2.66Å; E148-L150 VanDerWaalsContact C-N 3.31Å; E148-L150 PolarHBondContact O-N 3.41Å; E148-K151 PolarHBondContact O-N 2.93Å; E148-R152 VanDerWaalsContact CB-NH1 3.33Å; E148-R152 VanDerWaalsContact O-CB 3.27Å; E148-R152 WeakPolarHBondContact O-CB 3.42Å; E148-R152 WeakPolarHBondContact O-CD 3.36Å; E148-R152 WeakPolarHBondContact O-CG 3.18Å; E148-R152 PolarHBondContact O-N 3.43Å; E148-R152 IonicContact OE1-CZ 3.22Å; E148-R152 IonicContact OE1-NH2 2.88Å; E148-R152 PolarHBondContact OE1-NH2 2.87Å; E148-R152 IonicContact OE2-CZ 3.23Å; E148-R152 IonicContact OE2-NH1 2.92Å; E148-R152 PolarHBondContact OE2-NH1 3.44Å; E148-R152 IonicContact OE2-NH2 2.7Å; E148-R152 PolarHBondContact OE2-NH2 2.93Å
149	E	72.8	Confident	74.9	Confident	50 Å²	50	81.4 Å²	81.4	23%	0.234	39%	0.39	C	S	.	.	H	α-helix	trans	-57.5	-46.8	173.4	-79	-177.7	-129.2	0	0	109.9	Q145 M146 R152 E153 R427	Q145-E149 PolarHBondContact NE2-OE1 3.18Å; Q145-E149 PolarHBondContact O-N 2.88Å; M146-E149 PolarHBondContact O-N 3.25Å; E149-R152 PolarHBondContact O-N 3.47Å; E149-E153 PolarHBondContact O-N 3.13Å; E149-R427 IonicContact OE2-CZ 2.77Å; E149-R427 IonicContact OE2-NH1 2.8Å; E149-R427 PolarHBondContact OE2-NH1 3.34Å; E149-R427 IonicContact OE2-NH2 2.68Å; E149-R427 PolarHBondContact OE2-NH2 3.01Å
150	L	72.7	Confident	73.2	Confident	65 Å²	65	86.6 Å²	86.6	34%	0.34	41%	0.409	S	S	.	.	H	α-helix	trans	-66	-38.9	178.6	-161.2	69.4	0	0	0	112.9	L115 M146 E148 E153 A154 F456	L115-L150 HydrophobicContact CD1-CD2 4.4Å; M146-L150 VanDerWaalsContact O-CB 3.23Å; M146-L150 WeakPolarHBondContact O-CB 3.21Å; M146-L150 PolarHBondContact O-N 3.31Å; E148-L150 VanDerWaalsContact C-N 3.31Å; E148-L150 PolarHBondContact O-N 3.41Å; L150-E153 PolarHBondContact O-N 2.7Å; L150-A154 VanDerWaalsContact O-CB 3.32Å; L150-A154 WeakPolarHBondContact O-CB 3.41Å; L150-A154 PolarHBondContact O-N 3.28Å; L150-F456 HydrophobicContact CD2-CE1 3.98Å; L150-F456 HydrophobicContact CD2-CZ 4.47Å
151	K	74	Confident	71.4	Confident	126 Å²	126	89 Å²	89	55%	0.548	42%	0.42	S	S	.	.	H	α-helix	trans	-67.5	-41.6	173.8	-177.4	175.2	-179.7	177.9	0	111.5	N147 E148 E153 A154 D155	N147-K151 WeakPolarHBondContact O-CB 3.25Å; N147-K151 PolarHBondContact O-N 2.95Å; E148-K151 PolarHBondContact O-N 2.93Å; K151-E153 VanDerWaalsContact C-N 3.34Å; K151-A154 PolarHBondContact O-N 3.19Å; K151-D155 WeakPolarHBondContact O-CB 3.36Å; K151-D155 PolarHBondContact O-N 3.42Å
152	R	69.2	Low	69.3	Low	128 Å²	128	84.9 Å²	84.9	48%	0.483	41%	0.414	S	S	.	.	H	α-helix	trans	-61.7	-41.4	173.8	-73.9	165.1	-178.3	132.1	10.8	111	E148 E149 N156	E148-R152 VanDerWaalsContact CB-NH1 3.33Å; E148-R152 VanDerWaalsContact O-CB 3.27Å; E148-R152 WeakPolarHBondContact O-CB 3.42Å; E148-R152 WeakPolarHBondContact O-CD 3.36Å; E148-R152 WeakPolarHBondContact O-CG 3.18Å; E148-R152 PolarHBondContact O-N 3.43Å; E148-R152 IonicContact OE1-CZ 3.22Å; E148-R152 IonicContact OE1-NH2 2.88Å; E148-R152 PolarHBondContact OE1-NH2 2.87Å; E148-R152 IonicContact OE2-CZ 3.23Å; E148-R152 IonicContact OE2-NH1 2.92Å; E148-R152 PolarHBondContact OE2-NH1 3.44Å; E148-R152 IonicContact OE2-NH2 2.7Å; E148-R152 PolarHBondContact OE2-NH2 2.93Å; E149-R152 PolarHBondContact O-N 3.47Å; R152-N156 WeakPolarHBondContact O-CB 3.43Å; R152-N156 PolarHBondContact O-N 3.34Å; R152-N156 PolarHBondContact O-ND2 3.02Å
153	E	65.9	Low	67.7	Low	93 Å²	93	83.7 Å²	83.7	44%	0.435	41%	0.41	S	S	.	.	H	α-helix	trans	-64	-48	171.4	-73.3	-159	155.2	0	0	111.5	E149 L150 K151 D155 N156 L157	E149-E153 PolarHBondContact O-N 3.13Å; L150-E153 PolarHBondContact O-N 2.7Å; K151-E153 VanDerWaalsContact C-N 3.34Å; E153-D155 PolarHBondContact O-N 3.02Å; E153-N156 PolarHBondContact O-N 2.9Å; E153-L157 WeakPolarHBondContact O-CB 3.27Å; E153-L157 VanDerWaalsContact O-CG 3.27Å; E153-L157 WeakPolarHBondContact O-CG 3.21Å; E153-L157 PolarHBondContact O-N 3.01Å
154	A	65.3	Low	66.1	Low	39 Å²	39	89 Å²	89	32%	0.322	44%	0.435	S	S	.	.	H	α-helix	trans	-61	-39.8	-180	0	0	0	0	0	113.1	L150 K151 L157 K158	L150-A154 VanDerWaalsContact O-CB 3.32Å; L150-A154 WeakPolarHBondContact O-CB 3.41Å; L150-A154 PolarHBondContact O-N 3.28Å; K151-A154 PolarHBondContact O-N 3.19Å; A154-L157 WeakPolarHBondContact O-CB 3.32Å; A154-L157 PolarHBondContact O-N 3.43Å; A154-K158 WeakPolarHBondContact O-CG 3.41Å; A154-K158 PolarHBondContact O-N 2.92Å
155	D	64	Low	64.7	Low	63 Å²	63	84 Å²	84	34%	0.337	41%	0.412	S	S	.	.	H	α-helix	trans	-75.2	-36.7	177.9	-68.2	-23.8	0	0	0	111.4	K151 E153 L157 K158 D159	K151-D155 WeakPolarHBondContact O-CB 3.36Å; K151-D155 PolarHBondContact O-N 3.42Å; E153-D155 PolarHBondContact O-N 3.02Å; D155-L157 VanDerWaalsContact C-N 3.25Å; D155-L157 PolarHBondContact O-N 3.4Å; D155-K158 PolarHBondContact O-N 2.92Å; D155-K158 IonicContact OD1-NZ 2.66Å; D155-K158 PolarHBondContact OD1-NZ 3.33Å; D155-D159 WeakPolarHBondContact O-CB 3.48Å; D155-D159 PolarHBondContact O-N 3.23Å
156	N	62.5	Low	63.4	Low	86 Å²	86	84.7 Å²	84.7	46%	0.46	42%	0.419	S	S	.	.	H	α-helix	trans	-61.6	-33	167.3	-86.3	-76.3	0	0	0	112.4	R152 E153 R160	R152-N156 WeakPolarHBondContact O-CB 3.43Å; R152-N156 PolarHBondContact O-N 3.34Å; R152-N156 PolarHBondContact O-ND2 3.02Å; E153-N156 PolarHBondContact O-N 2.9Å; N156-R160 WeakPolarHBondContact O-CB 3.27Å; N156-R160 VanDerWaalsContact O-CD 3.28Å; N156-R160 WeakPolarHBondContact O-CD 3.49Å; N156-R160 WeakPolarHBondContact O-CG 3.23Å; N156-R160 PolarHBondContact O-N 3.3Å
157	L	59.9	Low	62.1	Low	47 Å²	47	90.1 Å²	90.1	25%	0.246	45%	0.449	C	S	.	.	H	α-helix	trans	-70.3	-46.2	173.4	-72.7	177.7	0	0	0	111.2	E153 A154 D155 D159 R160 E161 R435	E153-L157 WeakPolarHBondContact O-CB 3.27Å; E153-L157 VanDerWaalsContact O-CG 3.27Å; E153-L157 WeakPolarHBondContact O-CG 3.21Å; E153-L157 PolarHBondContact O-N 3.01Å; A154-L157 WeakPolarHBondContact O-CB 3.32Å; A154-L157 PolarHBondContact O-N 3.43Å; D155-L157 VanDerWaalsContact C-N 3.25Å; D155-L157 PolarHBondContact O-N 3.4Å; L157-D159 VanDerWaalsContact C-N 3.34Å; L157-D159 PolarHBondContact O-N 2.93Å; L157-R160 CarbonylContact O-C 3.52Å; L157-R160 PolarHBondContact O-N 3.39Å; L157-R160 VanDerWaalsContact O-N 3.13Å; L157-E161 WeakPolarHBondContact O-CB 3.05Å; L157-E161 WeakPolarHBondContact O-CG 3.41Å; L157-E161 PolarHBondContact O-N 2.9Å; L157-R435 VanDerWaalsContact CD2-CZ 3.42Å; L157-R435 VanDerWaalsContact CD2-NH1 3.27Å
158	K	58.2	Low	61	Low	134 Å²	134	90.2 Å²	90.2	58%	0.583	45%	0.452	S	S	*	.	H	α-helix	trans	-58.7	-42.1	174.3	-70.3	169.6	-164.4	160.1	0	112.3	A154 D155 R160 E161 G162	A154-K158 WeakPolarHBondContact O-CG 3.41Å; A154-K158 PolarHBondContact O-N 2.92Å; D155-K158 PolarHBondContact O-N 2.92Å; D155-K158 IonicContact OD1-NZ 2.66Å; D155-K158 PolarHBondContact OD1-NZ 3.33Å; K158-R160 PolarHBondContact O-N 3.28Å; K158-E161 PolarHBondContact O-N 3.39Å; K158-G162 WeakPolarHBondContact O-CA 3.36Å; K158-G162 PolarHBondContact O-N 3.11Å
159	D	57.3	Low	60	Low	98 Å²	98	91.5 Å²	91.5	52%	0.524	47%	0.471	S	S	.	.	H	α-helix	trans	-69.9	-17.6	-179.7	-146	-0.1	0	0	0	112.6	D155 L157 K258	D155-D159 WeakPolarHBondContact O-CB 3.48Å; D155-D159 PolarHBondContact O-N 3.23Å; L157-D159 VanDerWaalsContact C-N 3.34Å; L157-D159 PolarHBondContact O-N 2.93Å; D159-K258 IonicContact OD1-NZ 2.66Å; D159-K258 PolarHBondContact OD1-NZ 3.43Å
160	R	56.3	Low	59.7	Low	108 Å²	108	92.2 Å²	92.2	41%	0.408	48%	0.48	S	S	.	.	H	α-helix	trans	-97.6	-30.1	174.4	-73.4	169.7	52.1	127.9	2.6	114.3	N156 L157 K158 L432	N156-R160 WeakPolarHBondContact O-CB 3.27Å; N156-R160 VanDerWaalsContact O-CD 3.28Å; N156-R160 WeakPolarHBondContact O-CD 3.49Å; N156-R160 WeakPolarHBondContact O-CG 3.23Å; N156-R160 PolarHBondContact O-N 3.3Å; L157-R160 CarbonylContact O-C 3.52Å; L157-R160 PolarHBondContact O-N 3.39Å; L157-R160 VanDerWaalsContact O-N 3.13Å; K158-R160 PolarHBondContact O-N 3.28Å; R160-L432 VanDerWaalsContact NH2-CD1 3.33Å
161	E	51.2	Low	59.8	Low	112 Å²	112	90.3 Å²	90.3	52%	0.523	47%	0.474	S	S	.	.	H	α-helix	trans	-87.3	-28.8	179.4	-69.4	175.2	-168.9	0	0	110.1	L157 K158 E163 R435	L157-E161 WeakPolarHBondContact O-CB 3.05Å; L157-E161 WeakPolarHBondContact O-CG 3.41Å; L157-E161 PolarHBondContact O-N 2.9Å; K158-E161 PolarHBondContact O-N 3.39Å; E161-E163 PolarHBondContact O-N 3.49Å; E161-R435 IonicContact OE1-CZ 3.09Å; E161-R435 IonicContact OE1-NH1 2.79Å; E161-R435 PolarHBondContact OE1-NH1 2.95Å; E161-R435 IonicContact OE1-NH2 2.65Å; E161-R435 PolarHBondContact OE1-NH2 2.71Å
162	G	46.2	Very low	60	Low	49 Å²	49	90.8 Å²	90.8	51%	0.505	48%	0.478	S	S	.	.			trans	-71.4	8.6	162.3	0	0	0	0	0	115.2	K158 E164	K158-G162 WeakPolarHBondContact O-CA 3.36Å; K158-G162 PolarHBondContact O-N 3.11Å; G162-E164 PolarHBondContact O-N 3.45Å; G162-E164 VanDerWaalsContact O-N 3.07Å
163	E	52.9	Low	60.7	Low	49 Å²	49	91.8 Å²	91.8	23%	0.229	49%	0.486	C	S	.	.			trans	-76.1	53.6	152.4	-64.9	-156.6	135.9	0	0	109.9	E161 F165 W178 P254	E161-E163 PolarHBondContact O-N 3.49Å; E163-F165 HydrophobicContact CB-CE2 4.48Å; E163-F165 VanDerWaalsContact O-CD2 3.27Å; E163-F165 WeakPolarHBondContact O-CD2 3.3Å; E163-F165 PolarHBondContact O-N 2.67Å; E163-F165 VanDerWaalsContact O-N 3.13Å; E163-W178 PolarHBondContact OE1-NE1 3.2Å; E163-W178 PolarHBondContact OE2-NE1 2.79Å; E163-P254 HydrophobicContact CB-CG 4.17Å; E163-P254 HydrophobicContact CG-CG 4.05Å
164	E	54	Low	61.5	Low	157 Å²	157	90 Å²	90	73%	0.734	48%	0.475	S	S	*	.			trans	-66.5	112.8	170.7	-69.5	-158.3	132.7	0	0	108.5	G162 D166	G162-E164 PolarHBondContact O-N 3.45Å; G162-E164 VanDerWaalsContact O-N 3.07Å; E164-D166 PolarHBondContact O-N 2.92Å; E164-D166 VanDerWaalsContact O-N 3.16Å
165	F	57.8	Low	62.4	Low	25 Å²	25	93.1 Å²	93.1	11%	0.11	48%	0.482	C	S	.	.			trans	-78.3	96.1	169	-74.2	-97	0	0	0	106.9	E163 A171 R174 K175 W178 S252 P254	E163-F165 HydrophobicContact CB-CE2 4.48Å; E163-F165 VanDerWaalsContact O-CD2 3.27Å; E163-F165 WeakPolarHBondContact O-CD2 3.3Å; E163-F165 PolarHBondContact O-N 2.67Å; E163-F165 VanDerWaalsContact O-N 3.13Å; F165-A171 HydrophobicContact CB-CB 4.35Å; F165-R174 HydrophobicContact CD1-CG 4.04Å; F165-R174 HydrophobicContact CE1-CG 3.86Å; F165-K175 HydrophobicContact CD2-CB 4.25Å; F165-K175 HydrophobicContact CD2-CD 4.08Å; F165-K175 HydrophobicContact CD2-CG 4.26Å; F165-K175 HydrophobicContact CE2-CB 4.13Å; F165-K175 HydrophobicContact CE2-CD 4.2Å; F165-K175 HydrophobicContact CE2-CG 3.98Å; F165-K175 HydrophobicContact CZ-CB 4.3Å; F165-K175 HydrophobicContact CZ-CG 4.49Å; F165-W178 HydrophobicContact CZ-CB 4.12Å; F165-W178 AromaticContact CZ-CD1 3.73Å; F165-W178 HydrophobicContact CZ-CG 4.01Å; F165-S252 WeakPolarHBondContact CE1-O 3.34Å; F165-P254 HydrophobicContact CE1-CB 4.27Å; F165-P254 HydrophobicContact CZ-CB 4.27Å; F165-P254 HydrophobicContact CZ-CG 4.35Å
166	D	53	Low	63.4	Low	121 Å²	121	96.4 Å²	96.4	65%	0.647	49%	0.493	S	S	*	.			trans	-36.6	143.3	172.1	-73.5	-52.2	0	0	0	111.8	E164 T168	E164-D166 PolarHBondContact O-N 2.92Å; E164-D166 VanDerWaalsContact O-N 3.16Å; D166-T168 HydrophobicContact CB-CG2 4.38Å; D166-T168 PolarHBondContact O-N 3.49Å; D166-T168 PolarHBondContact O-OG1 3.03Å
167	N	53.3	Low	64.6	Low	177 Å²	177	95 Å²	95	95%	0.947	49%	0.485	S	S	*	.	S	Bend	trans	-62.5	61	-176.8	-75.3	-43.3	0	0	0	113.8
168	T	57.9	Low	66	Low	69 Å²	69	93.5 Å²	93.5	42%	0.423	48%	0.476	S	S	.	.			trans	-104.1	150.3	179.3	48	0	0	0	0	108.9	D166 C170 A171	D166-T168 HydrophobicContact CB-CG2 4.38Å; D166-T168 PolarHBondContact O-N 3.49Å; D166-T168 PolarHBondContact O-OG1 3.03Å; T168-C170 PolarHBondContact O-N 2.9Å; T168-A171 PolarHBondContact O-N 3.32Å; T168-A171 VanDerWaalsContact O-N 3.16Å
169	C	55.3	Low	67.2	Low	125 Å²	125	89.1 Å²	89.1	85%	0.845	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	136.1	180	-173.9	0	0	0	0	110.9	A171	C169-A171 PolarHBondContact O-N 3.26Å
170	C	67.8	Low	68.8	Low	65 Å²	65	86.7 Å²	86.7	44%	0.439	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.2	20.9	-177.9	-61.7	0	0	0	0	116.9	T168 E172 K173 R174	T168-C170 PolarHBondContact O-N 2.9Å; C170-E172 VanDerWaalsContact C-N 3.3Å; C170-E172 PolarHBondContact O-N 2.77Å; C170-K173 HydrophobicContact CB-CB 4.22Å; C170-K173 HydrophobicContact CB-CD 4.28Å; C170-K173 HydrophobicContact CB-CG 4.49Å; C170-K173 PolarHBondContact O-N 3.07Å; C170-R174 WeakPolarHBondContact O-CB 3.49Å; C170-R174 PolarHBondContact O-N 3.13Å
171	A	74.4	Confident	70.3	Confident	25 Å²	25	82.5 Å²	82.5	21%	0.207	43%	0.431	C	S	.	.	H	α-helix	trans	-45.2	-46.5	174.4	0	0	0	0	0	114.2	F165 T168 C169 K173 R174 K175	F165-A171 HydrophobicContact CB-CB 4.35Å; T168-A171 PolarHBondContact O-N 3.32Å; T168-A171 VanDerWaalsContact O-N 3.16Å; C169-A171 PolarHBondContact O-N 3.26Å; A171-K173 PolarHBondContact O-N 2.6Å; A171-R174 PolarHBondContact O-N 3.22Å; A171-K175 WeakPolarHBondContact O-CB 3.17Å; A171-K175 PolarHBondContact O-N 2.68Å
172	E	77.5	Confident	71.9	Confident	136 Å²	136	79.7 Å²	79.7	64%	0.636	42%	0.418	S	S	*	.	H	α-helix	trans	-61.1	-44.6	174.8	-75.4	-159.1	-177.3	0	0	114	C170 R174 K175 K176	C170-E172 VanDerWaalsContact C-N 3.3Å; C170-E172 PolarHBondContact O-N 2.77Å; E172-R174 VanDerWaalsContact C-N 3.31Å; E172-K175 PolarHBondContact O-N 2.91Å; E172-K176 WeakPolarHBondContact O-CB 3.28Å; E172-K176 VanDerWaalsContact O-CG 3.3Å; E172-K176 WeakPolarHBondContact O-CG 3.37Å; E172-K176 PolarHBondContact O-N 3.38Å; E172-K176 IonicContact OE2-NZ 3.02Å; E172-K176 PolarHBondContact OE2-NZ 3.14Å
173	K	83.1	Confident	73.5	Confident	149 Å²	149	80.4 Å²	80.4	65%	0.648	41%	0.408	S	S	*	.	H	α-helix	trans	-67.4	-38.3	-178.4	-60.8	-178	-177.7	175.3	0	110	C170 A171 K176 L177	C170-K173 HydrophobicContact CB-CB 4.22Å; C170-K173 HydrophobicContact CB-CD 4.28Å; C170-K173 HydrophobicContact CB-CG 4.49Å; C170-K173 PolarHBondContact O-N 3.07Å; A171-K173 PolarHBondContact O-N 2.6Å; K173-K176 PolarHBondContact O-N 2.72Å; K173-L177 WeakPolarHBondContact O-CB 3.33Å; K173-L177 PolarHBondContact O-N 3.03Å
174	R	84.4	Confident	74.9	Confident	55 Å²	55	80.8 Å²	80.8	21%	0.208	41%	0.414	C	S	.	.	H	α-helix	trans	-62.6	-44.4	173.9	-173.2	-177.3	165.8	-170.7	-1.9	111.5	F165 C170 A171 E172 L177 W178 S252 S253 P254	F165-R174 HydrophobicContact CD1-CG 4.04Å; F165-R174 HydrophobicContact CE1-CG 3.86Å; C170-R174 WeakPolarHBondContact O-CB 3.49Å; C170-R174 PolarHBondContact O-N 3.13Å; A171-R174 PolarHBondContact O-N 3.22Å; E172-R174 VanDerWaalsContact C-N 3.31Å; R174-L177 PolarHBondContact O-N 2.88Å; R174-W178 WeakPolarHBondContact O-CB 3.35Å; R174-W178 PolarHBondContact O-N 3.27Å; R174-S252 VanDerWaalsContact CG-O 3.28Å; R174-S252 WeakPolarHBondContact CG-O 3.49Å; R174-S252 PolarHBondContact NE-O 2.9Å; R174-S253 PolarHBondContact NH2-O 3.17Å; R174-P254 PolarHBondContact NH2-O 3.34Å
175	K	83.6	Confident	75.9	Confident	105 Å²	105	76.7 Å²	76.7	46%	0.457	40%	0.403	S	S	.	.	H	α-helix	trans	-65.6	-45	174.4	-173.5	166.7	-176.5	164.5	0	112.4	F165 A171 E172 L177 W178 D179	F165-K175 HydrophobicContact CD2-CB 4.25Å; F165-K175 HydrophobicContact CD2-CD 4.08Å; F165-K175 HydrophobicContact CD2-CG 4.26Å; F165-K175 HydrophobicContact CE2-CB 4.13Å; F165-K175 HydrophobicContact CE2-CD 4.2Å; F165-K175 HydrophobicContact CE2-CG 3.98Å; F165-K175 HydrophobicContact CZ-CB 4.3Å; F165-K175 HydrophobicContact CZ-CG 4.49Å; A171-K175 WeakPolarHBondContact O-CB 3.17Å; A171-K175 PolarHBondContact O-N 2.68Å; E172-K175 PolarHBondContact O-N 2.91Å; K175-L177 VanDerWaalsContact C-N 3.29Å; K175-L177 PolarHBondContact O-N 3.1Å; K175-W178 WeakPolarHBondContact O-CB 3.44Å; K175-W178 PolarHBondContact O-N 3.17Å; K175-D179 PolarHBondContact O-N 2.85Å
176	K	84.5	Confident	77	Confident	133 Å²	133	77.8 Å²	77.8	58%	0.578	41%	0.413	S	S	*	.	H	α-helix	trans	-58.8	-38.2	173.3	-74.3	162.5	179	160.3	0	112	E172 K173 L180	E172-K176 WeakPolarHBondContact O-CB 3.28Å; E172-K176 VanDerWaalsContact O-CG 3.3Å; E172-K176 WeakPolarHBondContact O-CG 3.37Å; E172-K176 PolarHBondContact O-N 3.38Å; E172-K176 IonicContact OE2-NZ 3.02Å; E172-K176 PolarHBondContact OE2-NZ 3.14Å; K173-K176 PolarHBondContact O-N 2.72Å; K176-L180 VanDerWaalsContact O-CB 3.26Å; K176-L180 WeakPolarHBondContact O-CB 3.19Å; K176-L180 PolarHBondContact O-N 3.47Å
177	L	88.4	Confident	78.6	Confident	55 Å²	55	74.2 Å²	74.2	29%	0.288	40%	0.398	S	S	.	.	H	α-helix	trans	-71.3	-38.2	174.6	-176.8	60.9	0	0	0	112.8	K173 R174 K175 L180 L181 L248	K173-L177 WeakPolarHBondContact O-CB 3.33Å; K173-L177 PolarHBondContact O-N 3.03Å; R174-L177 PolarHBondContact O-N 2.88Å; K175-L177 VanDerWaalsContact C-N 3.29Å; K175-L177 PolarHBondContact O-N 3.1Å; L177-L180 HydrophobicContact CD1-CD2 4.27Å; L177-L180 WeakPolarHBondContact O-CB 3.31Å; L177-L180 PolarHBondContact O-N 3.36Å; L177-L181 HydrophobicContact CD1-CD1 3.73Å; L177-L181 HydrophobicContact CD1-CG 4.11Å; L177-L181 HydrophobicContact CG-CD1 3.85Å; L177-L181 WeakPolarHBondContact O-CB 3.37Å; L177-L181 VanDerWaalsContact O-CG 3.31Å; L177-L181 WeakPolarHBondContact O-CG 3.27Å; L177-L181 PolarHBondContact O-N 3.1Å; L177-L181 VanDerWaalsContact O-N 3.07Å; L177-L248 HydrophobicContact CD2-CD2 4.47Å
178	W	88.6	Confident	80.3	Confident	16 Å²	16	70.9 Å²	70.9	6%	0.061	38%	0.384	C	S	.	.	H	α-helix	trans	-62.3	-49.5	173.6	-175.6	-123.1	0	0	0	111.2	E163 F165 R174 K175 L180 L181 E182 F259	E163-W178 PolarHBondContact OE1-NE1 3.2Å; E163-W178 PolarHBondContact OE2-NE1 2.79Å; F165-W178 HydrophobicContact CZ-CB 4.12Å; F165-W178 AromaticContact CZ-CD1 3.73Å; F165-W178 HydrophobicContact CZ-CG 4.01Å; R174-W178 WeakPolarHBondContact O-CB 3.35Å; R174-W178 PolarHBondContact O-N 3.27Å; K175-W178 WeakPolarHBondContact O-CB 3.44Å; K175-W178 PolarHBondContact O-N 3.17Å; W178-L180 PolarHBondContact O-N 3.32Å; W178-L181 PolarHBondContact O-N 3.06Å; W178-E182 HydrophobicContact CD2-CB 4.39Å; W178-E182 HydrophobicContact CE3-CB 4.43Å; W178-E182 HydrophobicContact CH2-CG 4.26Å; W178-E182 HydrophobicContact CZ2-CG 4.26Å; W178-E182 VanDerWaalsContact O-CB 3.29Å; W178-E182 WeakPolarHBondContact O-CB 3.11Å; W178-E182 PolarHBondContact O-N 3.28Å; W178-F259 HydrophobicContact CH2-CD2 4.11Å; W178-F259 HydrophobicContact CH2-CE2 4.42Å; W178-F259 HydrophobicContact CZ3-CD2 4.25Å; W178-F259 HydrophobicContact CZ3-CE2 4.25Å
179	D	84.7	Confident	81.9	Confident	42 Å²	42	70 Å²	70	23%	0.225	38%	0.384	C	S	.	.	H	α-helix	trans	-62.8	-28.4	175.5	-69.9	-33.8	0	0	0	112.8	K175 K183 S186	K175-D179 PolarHBondContact O-N 2.85Å; D179-K183 PolarHBondContact O-N 3.36Å; D179-K183 WeakPolarHBondContact OD1-CD 3.28Å; D179-K183 WeakPolarHBondContact OD1-CE 3.09Å; D179-K183 IonicContact OD1-NZ 3.18Å; D179-K183 PolarHBondContact OD1-NZ 3.21Å; D179-S186 WeakPolarHBondContact O-CB 3.38Å; D179-S186 PolarHBondContact O-OG 3.02Å
180	L	89.1	Confident	83.6	Confident	47 Å²	47	64.1 Å²	64.1	25%	0.246	34%	0.344	C	S	.	.	H	α-helix	trans	-74	-36.2	175.7	-177.4	69.2	0	0	0	113.1	K176 L177 W178 A189 A190 L193	K176-L180 VanDerWaalsContact O-CB 3.26Å; K176-L180 WeakPolarHBondContact O-CB 3.19Å; K176-L180 PolarHBondContact O-N 3.47Å; L177-L180 HydrophobicContact CD1-CD2 4.27Å; L177-L180 WeakPolarHBondContact O-CB 3.31Å; L177-L180 PolarHBondContact O-N 3.36Å; W178-L180 PolarHBondContact O-N 3.32Å; L180-A189 HydrophobicContact CD1-CB 3.74Å; L180-A190 HydrophobicContact CD1-CB 4.07Å; L180-A190 WeakPolarHBondContact O-CB 3.26Å; L180-L193 HydrophobicContact CD1-CD1 3.92Å; L180-L193 HydrophobicContact CD2-CD1 3.82Å; L180-L193 HydrophobicContact CG-CD1 3.69Å
181	L	87.7	Confident	84.6	Confident	20 Å²	20	66.6 Å²	66.6	11%	0.105	35%	0.347	C	S	.	.	H	α-helix	trans	-96.6	-26.1	-172.7	-67	170.6	0	0	0	114.5	L177 W178 L248 R249	L177-L181 HydrophobicContact CD1-CD1 3.73Å; L177-L181 HydrophobicContact CD1-CG 4.11Å; L177-L181 HydrophobicContact CG-CD1 3.85Å; L177-L181 WeakPolarHBondContact O-CB 3.37Å; L177-L181 VanDerWaalsContact O-CG 3.31Å; L177-L181 WeakPolarHBondContact O-CG 3.27Å; L177-L181 PolarHBondContact O-N 3.1Å; L177-L181 VanDerWaalsContact O-N 3.07Å; W178-L181 PolarHBondContact O-N 3.06Å; L181-L248 HydrophobicContact CD1-CB 3.66Å; L181-R249 HydrophobicContact CB-CG 3.96Å; L181-R249 HydrophobicContact CD1-CG 4.2Å; L181-R249 PolarHBondContact O-NE 3.36Å; L181-R249 VanDerWaalsContact O-NE 3.14Å; L181-R249 PolarHBondContact O-NH2 3.44Å
182	E	85.1	Confident	85.5	Confident	53 Å²	53	69.8 Å²	69.8	25%	0.248	36%	0.36	C	S	.	.	H	α-helix	trans	-108.4	-21.5	-173	-156.4	64.7	-171.4	0	0	113.1	W178 P184 R249 R314	W178-E182 HydrophobicContact CD2-CB 4.39Å; W178-E182 HydrophobicContact CE3-CB 4.43Å; W178-E182 HydrophobicContact CH2-CG 4.26Å; W178-E182 HydrophobicContact CZ2-CG 4.26Å; W178-E182 VanDerWaalsContact O-CB 3.29Å; W178-E182 WeakPolarHBondContact O-CB 3.11Å; W178-E182 PolarHBondContact O-N 3.28Å; E182-P184 WeakPolarHBondContact O-CD 3.47Å; E182-R249 WeakPolarHBondContact OE2-CD 3.24Å; E182-R249 IonicContact OE2-NE 3.18Å; E182-R249 PolarHBondContact OE2-NE 3.17Å; E182-R314 IonicContact OE1-CZ 3.18Å; E182-R314 IonicContact OE1-NH1 3.19Å; E182-R314 PolarHBondContact OE1-NH1 2.87Å; E182-R314 IonicContact OE2-CZ 2.67Å; E182-R314 IonicContact OE2-NH1 2.95Å; E182-R314 PolarHBondContact OE2-NH1 3.07Å
183	K	81.3	Confident	86.2	Confident	65 Å²	65	65.8 Å²	65.8	28%	0.283	34%	0.342	S	S	.	.			trans	-122.2	86	-177.9	-63	167	-165.1	157.9	0	110.7	D179 S185 S186	D179-K183 PolarHBondContact O-N 3.36Å; D179-K183 WeakPolarHBondContact OD1-CD 3.28Å; D179-K183 WeakPolarHBondContact OD1-CE 3.09Å; D179-K183 IonicContact OD1-NZ 3.18Å; D179-K183 PolarHBondContact OD1-NZ 3.21Å; K183-S185 PolarHBondContact O-N 2.91Å; K183-S186 VanDerWaalsContact O-CB 3.27Å; K183-S186 WeakPolarHBondContact O-CB 3.31Å; K183-S186 PolarHBondContact O-N 2.92Å; K183-S186 PolarHBondContact O-OG 3.16Å
184	P	81.3	Confident	86.7	Confident	56 Å²	56	59.2 Å²	59.2	36%	0.364	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-23.5	-178.5	-28.5	36	0	0	0	115.2	E182 K191 A194	E182-P184 WeakPolarHBondContact O-CD 3.47Å; P184-K191 WeakPolarHBondContact O-CG 3.49Å; P184-K191 PolarHBondContact O-N 2.88Å; P184-A194 HydrophobicContact CB-CB 3.94Å; P184-A194 HydrophobicContact CG-CB 4.1Å
185	S	75	Confident	87.1	Confident	71 Å²	71	61.4 Å²	61.4	50%	0.497	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-8.9	176.6	53.5	0	0	0	0	115.1	K183 S187	K183-S185 PolarHBondContact O-N 2.91Å; S185-S187 PolarHBondContact O-N 3.09Å
186	S	80.8	Confident	87.6	Confident	48 Å²	48	59 Å²	59	34%	0.336	32%	0.323	S	S	.	.	S	Bend	trans	-66.4	-33.7	-171.9	67.8	0	0	0	0	113.9	D179 K183 A190	D179-S186 WeakPolarHBondContact O-CB 3.38Å; D179-S186 PolarHBondContact O-OG 3.02Å; K183-S186 VanDerWaalsContact O-CB 3.27Å; K183-S186 WeakPolarHBondContact O-CB 3.31Å; K183-S186 PolarHBondContact O-N 2.92Å; K183-S186 PolarHBondContact O-OG 3.16Å; S186-A190 WeakPolarHBondContact OG-CB 3.5Å
187	S	87.6	Confident	88.1	Confident	46 Å²	46	52.9 Å²	52.9	32%	0.322	30%	0.296	S	S	.	.			trans	-159	164.1	-174.8	61.8	0	0	0	0	111.6	S185 A189 A190 K191	S185-S187 PolarHBondContact O-N 3.09Å; S187-A189 VanDerWaalsContact C-N 3.26Å; S187-A189 PolarHBondContact O-N 3.39Å; S187-A190 PolarHBondContact O-N 3.31Å; S187-A190 WeakPolarHBondContact OG-CB 3.38Å; S187-A190 PolarHBondContact OG-N 2.96Å; S187-K191 PolarHBondContact O-N 2.92Å; S187-K191 VanDerWaalsContact O-N 3.17Å
188	V	89.2	Confident	88.4	Confident	107 Å²	107	53.1 Å²	53.1	65%	0.648	30%	0.298	S	S	*	.	H	α-helix	trans	-62.2	-36.7	172.8	-178.2	0	0	0	0	110.9	A190 K191 I192	V188-A190 PolarHBondContact O-N 3.41Å; V188-K191 WeakPolarHBondContact O-CB 3.47Å; V188-K191 PolarHBondContact O-N 3.48Å; V188-I192 HydrophobicContact CG1-CD1 4.02Å; V188-I192 WeakPolarHBondContact O-CG1 3.27Å; V188-I192 PolarHBondContact O-N 3.39Å
189	A	90.9	Very high	88.7	Confident	51 Å²	51	57.7 Å²	57.7	42%	0.421	32%	0.322	S	S	.	.	H	α-helix	trans	-62.7	-39.7	174.5	0	0	0	0	0	112.6	L180 S187 K191 I192 L193	L180-A189 HydrophobicContact CD1-CB 3.74Å; S187-A189 VanDerWaalsContact C-N 3.26Å; S187-A189 PolarHBondContact O-N 3.39Å; A189-K191 VanDerWaalsContact C-N 3.35Å; A189-K191 PolarHBondContact O-N 3.19Å; A189-I192 PolarHBondContact O-N 3.22Å; A189-L193 WeakPolarHBondContact O-CB 3.12Å; A189-L193 WeakPolarHBondContact O-CG 3.44Å; A189-L193 PolarHBondContact O-N 2.84Å
190	A	89.9	Confident	89.3	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.008	32%	0.321	C	S	.	.	H	α-helix	trans	-63.8	-38.9	175	0	0	0	0	0	112	L180 S186 S187 V188 A194	L180-A190 HydrophobicContact CD1-CB 4.07Å; L180-A190 WeakPolarHBondContact O-CB 3.26Å; S186-A190 WeakPolarHBondContact OG-CB 3.5Å; S187-A190 PolarHBondContact O-N 3.31Å; S187-A190 WeakPolarHBondContact OG-CB 3.38Å; S187-A190 PolarHBondContact OG-N 2.96Å; V188-A190 PolarHBondContact O-N 3.41Å; A190-A194 VanDerWaalsContact O-CB 3.29Å; A190-A194 WeakPolarHBondContact O-CB 3.45Å; A190-A194 PolarHBondContact O-N 3.48Å
191	K	90.6	Very high	89.6	Confident	118 Å²	118	55.5 Å²	55.5	51%	0.513	31%	0.309	S	S	.	.	H	α-helix	trans	-62.3	-47	172.9	-64.3	-178.6	-176.8	-178.9	0	111.7	P184 S187 V188 A189 A194 I195	P184-K191 WeakPolarHBondContact O-CG 3.49Å; P184-K191 PolarHBondContact O-N 2.88Å; S187-K191 PolarHBondContact O-N 2.92Å; S187-K191 VanDerWaalsContact O-N 3.17Å; V188-K191 WeakPolarHBondContact O-CB 3.47Å; V188-K191 PolarHBondContact O-N 3.48Å; A189-K191 VanDerWaalsContact C-N 3.35Å; A189-K191 PolarHBondContact O-N 3.19Å; K191-A194 PolarHBondContact O-N 2.95Å; K191-I195 VanDerWaalsContact O-CG1 3.3Å; K191-I195 WeakPolarHBondContact O-CG1 3.16Å; K191-I195 PolarHBondContact O-N 2.78Å
192	I	93.1	Very high	89.9	Confident	91 Å²	91	57.6 Å²	57.6	47%	0.467	32%	0.323	S	S	.	.	H	α-helix	trans	-62.1	-47.3	179.4	-68.8	166.7	0	0	0	110.6	V188 A189 A194 I195 I196	V188-I192 HydrophobicContact CG1-CD1 4.02Å; V188-I192 WeakPolarHBondContact O-CG1 3.27Å; V188-I192 PolarHBondContact O-N 3.39Å; A189-I192 PolarHBondContact O-N 3.22Å; I192-A194 VanDerWaalsContact C-N 3.35Å; I192-A194 PolarHBondContact O-N 3.2Å; I192-I195 PolarHBondContact O-N 3.11Å; I192-I196 HydrophobicContact CG2-CD1 3.83Å; I192-I196 WeakPolarHBondContact O-CG1 3.44Å; I192-I196 PolarHBondContact O-N 3.21Å
193	L	92.4	Very high	90.4	Very high	52 Å²	52	58.9 Å²	58.9	27%	0.272	33%	0.331	S	S	.	.	H	α-helix	trans	-61.6	-41.7	176.4	-73.9	171.3	0	0	0	111.9	L180 A189 I195 I196 S197 W241	L180-L193 HydrophobicContact CD1-CD1 3.92Å; L180-L193 HydrophobicContact CD2-CD1 3.82Å; L180-L193 HydrophobicContact CG-CD1 3.69Å; A189-L193 WeakPolarHBondContact O-CB 3.12Å; A189-L193 WeakPolarHBondContact O-CG 3.44Å; A189-L193 PolarHBondContact O-N 2.84Å; L193-I195 VanDerWaalsContact C-N 3.34Å; L193-I195 PolarHBondContact O-N 3.49Å; L193-I196 PolarHBondContact O-N 2.96Å; L193-S197 PolarHBondContact O-N 2.86Å; L193-S197 PolarHBondContact O-OG 3.32Å; L193-S197 VanDerWaalsContact O-OG 3.09Å; L193-W241 HydrophobicContact CD2-CH2 4.4Å
194	A	92.1	Very high	91	Very high	12 Å²	12	55.8 Å²	55.8	10%	0.099	32%	0.317	C	S	.	.	H	α-helix	trans	-63.8	-36.6	176	0	0	0	0	0	112.9	P184 A190 K191 I192 S197 I198	P184-A194 HydrophobicContact CB-CB 3.94Å; P184-A194 HydrophobicContact CG-CB 4.1Å; A190-A194 VanDerWaalsContact O-CB 3.29Å; A190-A194 WeakPolarHBondContact O-CB 3.45Å; A190-A194 PolarHBondContact O-N 3.48Å; K191-A194 PolarHBondContact O-N 2.95Å; I192-A194 VanDerWaalsContact C-N 3.35Å; I192-A194 PolarHBondContact O-N 3.2Å; A194-S197 WeakPolarHBondContact O-CB 3.41Å; A194-S197 PolarHBondContact O-N 2.95Å; A194-I198 WeakPolarHBondContact O-CD1 3.36Å; A194-I198 VanDerWaalsContact O-CG1 3.26Å; A194-I198 WeakPolarHBondContact O-CG1 3.34Å; A194-I198 PolarHBondContact O-N 2.88Å; A194-I198 VanDerWaalsContact O-N 3.11Å
195	I	93.1	Very high	91.6	Very high	101 Å²	101	54.5 Å²	54.5	52%	0.518	31%	0.309	S	S	.	.	H	α-helix	trans	-65	-44.1	172.9	-68.8	162.4	0	0	0	110.4	K191 I192 L193 S197 I198 L199	K191-I195 VanDerWaalsContact O-CG1 3.3Å; K191-I195 WeakPolarHBondContact O-CG1 3.16Å; K191-I195 PolarHBondContact O-N 2.78Å; I192-I195 PolarHBondContact O-N 3.11Å; L193-I195 VanDerWaalsContact C-N 3.34Å; L193-I195 PolarHBondContact O-N 3.49Å; I195-S197 PolarHBondContact O-N 3.44Å; I195-I198 PolarHBondContact O-N 2.85Å; I195-L199 HydrophobicContact CG2-CD1 4.11Å; I195-L199 HydrophobicContact CG2-CG 4.5Å; I195-L199 WeakPolarHBondContact O-CG 3.29Å; I195-L199 PolarHBondContact O-N 2.59Å
196	I	94.8	Very high	92.5	Very high	54 Å²	54	55.3 Å²	55.3	28%	0.277	31%	0.306	S	S	.	.	H	α-helix	trans	-62.1	-43	176.4	-65.8	165.7	0	0	0	110.8	I192 L193 I198 L199 F200 W241	I192-I196 HydrophobicContact CG2-CD1 3.83Å; I192-I196 WeakPolarHBondContact O-CG1 3.44Å; I192-I196 PolarHBondContact O-N 3.21Å; L193-I196 PolarHBondContact O-N 2.96Å; I196-I198 VanDerWaalsContact C-N 3.33Å; I196-I198 PolarHBondContact O-N 2.91Å; I196-L199 PolarHBondContact O-N 3.45Å; I196-F200 HydrophobicContact CG2-CD2 3.71Å; I196-F200 HydrophobicContact CG2-CE2 3.7Å; I196-F200 WeakPolarHBondContact O-CD2 3.3Å; I196-F200 PolarHBondContact O-N 3.47Å; I196-W241 HydrophobicContact CB-CZ2 4.34Å; I196-W241 HydrophobicContact CG2-CH2 3.7Å; I196-W241 HydrophobicContact CG2-CZ2 3.46Å; I196-W241 VanDerWaalsContact CG2-CZ2 3.46Å; I196-W241 HydrophobicContact CG2-CZ3 4.4Å
197	S	94.3	Very high	93	Very high	4 Å²	4	53.3 Å²	53.3	3%	0.028	29%	0.293	C	S	.	.	H	α-helix	trans	-54.3	-47.3	172.9	-62.6	0	0	0	0	112.1	L193 A194 I195 F200 I201 E245	L193-S197 PolarHBondContact O-N 2.86Å; L193-S197 PolarHBondContact O-OG 3.32Å; L193-S197 VanDerWaalsContact O-OG 3.09Å; A194-S197 WeakPolarHBondContact O-CB 3.41Å; A194-S197 PolarHBondContact O-N 2.95Å; I195-S197 PolarHBondContact O-N 3.44Å; S197-F200 PolarHBondContact O-N 2.94Å; S197-I201 WeakPolarHBondContact O-CD1 3.48Å; S197-I201 VanDerWaalsContact O-CG1 3.25Å; S197-I201 WeakPolarHBondContact O-CG1 3.39Å; S197-I201 PolarHBondContact O-N 3.43Å; S197-E245 VanDerWaalsContact CB-OE1 3.23Å; S197-E245 WeakPolarHBondContact CB-OE1 3.5Å; S197-E245 PolarHBondContact OG-OE1 3.17Å
198	I	94.4	Very high	93.1	Very high	61 Å²	61	52.5 Å²	52.5	31%	0.313	28%	0.284	S	S	.	.	H	α-helix	trans	-63.5	-43.4	178.2	-64.9	160.9	0	0	0	110.9	A194 I195 I196 F200 I201 V202 L312 H315	A194-I198 WeakPolarHBondContact O-CD1 3.36Å; A194-I198 VanDerWaalsContact O-CG1 3.26Å; A194-I198 WeakPolarHBondContact O-CG1 3.34Å; A194-I198 PolarHBondContact O-N 2.88Å; A194-I198 VanDerWaalsContact O-N 3.11Å; I195-I198 PolarHBondContact O-N 2.85Å; I196-I198 VanDerWaalsContact C-N 3.33Å; I196-I198 PolarHBondContact O-N 2.91Å; I198-F200 PolarHBondContact O-N 2.88Å; I198-I201 PolarHBondContact O-N 2.87Å; I198-I201 VanDerWaalsContact O-N 3.16Å; I198-V202 HydrophobicContact CG2-CG2 4.42Å; I198-V202 WeakPolarHBondContact O-CG2 3.49Å; I198-V202 PolarHBondContact O-N 3.42Å; I198-L312 HydrophobicContact CG2-CD2 4.41Å; I198-H315 HydrophobicContact CD1-CB 3.89Å; I198-H315 HydrophobicContact CG1-CB 3.91Å
199	L	95.7	Very high	93.1	Very high	111 Å²	111	50.8 Å²	50.8	58%	0.581	28%	0.278	S	S	*	.	H	α-helix	trans	-61.1	-42.3	177.5	-71	170.6	0	0	0	112	I195 I196 V202 L203	I195-L199 HydrophobicContact CG2-CD1 4.11Å; I195-L199 HydrophobicContact CG2-CG 4.5Å; I195-L199 WeakPolarHBondContact O-CG 3.29Å; I195-L199 PolarHBondContact O-N 2.59Å; I196-L199 PolarHBondContact O-N 3.45Å; L199-V202 PolarHBondContact O-N 3.48Å; L199-L203 VanDerWaalsContact O-CB 3.3Å; L199-L203 WeakPolarHBondContact O-CB 3.26Å; L199-L203 PolarHBondContact O-N 3.3Å
200	F	96.3	Very high	93.1	Very high	43 Å²	43	51.6 Å²	51.6	19%	0.189	27%	0.274	C	S	.	.	H	α-helix	trans	-65.5	-35.9	173.7	-86.6	-73.2	0	0	0	112.8	I196 S197 I198 S204 V237 C238 W241 F242	I196-F200 HydrophobicContact CG2-CD2 3.71Å; I196-F200 HydrophobicContact CG2-CE2 3.7Å; I196-F200 WeakPolarHBondContact O-CD2 3.3Å; I196-F200 PolarHBondContact O-N 3.47Å; S197-F200 PolarHBondContact O-N 2.94Å; I198-F200 PolarHBondContact O-N 2.88Å; F200-S204 WeakPolarHBondContact O-CB 3.48Å; F200-S204 PolarHBondContact O-N 2.85Å; F200-S204 PolarHBondContact O-OG 2.89Å; F200-V237 HydrophobicContact CE1-CG1 4.22Å; F200-C238 HydrophobicContact CD1-CB 4.5Å; F200-W241 HydrophobicContact CB-CG 4.35Å; F200-W241 HydrophobicContact CD1-CB 4.08Å; F200-W241 HydrophobicContact CD1-CG 4.14Å; F200-W241 HydrophobicContact CD2-CB 4.28Å; F200-W241 AromaticContact CD2-CD1 3.47Å; F200-W241 VanDerWaalsContact CD2-CD1 3.47Å; F200-W241 AromaticContact CD2-CD2 3.57Å; F200-W241 HydrophobicContact CD2-CD2 3.57Å; F200-W241 AromaticContact CD2-CE2 3.68Å; F200-W241 HydrophobicContact CD2-CE3 4.26Å; F200-W241 AromaticContact CD2-CG 3.5Å; F200-W241 HydrophobicContact CD2-CG 3.5Å; F200-W241 HydrophobicContact CD2-CZ2 4.47Å; F200-W241 AromaticContact CD2-NE1 3.6Å; F200-W241 HydrophobicContact CE1-CB 4.12Å; F200-W241 HydrophobicContact CE1-CG 4.32Å; F200-W241 HydrophobicContact CE2-CB 4.32Å; F200-W241 AromaticContact CE2-CD2 3.44Å; F200-W241 HydrophobicContact CE2-CD2 3.44Å; F200-W241 VanDerWaalsContact CE2-CD2 3.44Å; F200-W241 AromaticContact CE2-CE2 3.88Å; F200-W241 AromaticContact CE2-CE3 3.65Å; F200-W241 HydrophobicContact CE2-CE3 3.65Å; F200-W241 AromaticContact CE2-CG 3.7Å; F200-W241 HydrophobicContact CE2-CG 3.7Å; F200-W241 HydrophobicContact CE2-CZ2 4.49Å; F200-W241 HydrophobicContact CE2-CZ3 4.25Å; F200-W241 HydrophobicContact CG-CB 4.16Å; F200-W241 AromaticContact CG-CD1 3.6Å; F200-W241 HydrophobicContact CG-CD2 4.3Å; F200-W241 AromaticContact CG-CG 3.74Å; F200-W241 HydrophobicContact CG-CG 3.74Å; F200-W241 HydrophobicContact CZ-CB 4.24Å; F200-W241 HydrophobicContact CZ-CD2 4.09Å; F200-W241 HydrophobicContact CZ-CE3 4.11Å; F200-W241 HydrophobicContact CZ-CG 4.11Å; F200-F242 HydrophobicContact CB-CE1 3.83Å; F200-F242 HydrophobicContact CB-CZ 4.4Å
201	I	95.6	Very high	92.9	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.6	-51.4	173.6	-63	158.4	0	0	0	110.1	S197 I198 L203 S204 T205 F242 K311 L312	S197-I201 WeakPolarHBondContact O-CD1 3.48Å; S197-I201 VanDerWaalsContact O-CG1 3.25Å; S197-I201 WeakPolarHBondContact O-CG1 3.39Å; S197-I201 PolarHBondContact O-N 3.43Å; I198-I201 PolarHBondContact O-N 2.87Å; I198-I201 VanDerWaalsContact O-N 3.16Å; I201-L203 PolarHBondContact O-N 3.39Å; I201-S204 PolarHBondContact O-N 3.21Å; I201-S204 PolarHBondContact O-OG 3.48Å; I201-T205 PolarHBondContact O-N 2.99Å; I201-T205 PolarHBondContact O-OG1 3.49Å; I201-F242 HydrophobicContact CG1-CE1 3.9Å; I201-F242 HydrophobicContact CG1-CZ 3.96Å; I201-K311 HydrophobicContact CD1-CB 3.93Å; I201-K311 HydrophobicContact CD1-CD 3.95Å; I201-K311 HydrophobicContact CD1-CG 3.67Å; I201-K311 HydrophobicContact CG1-CB 4.28Å; I201-K311 HydrophobicContact CG1-CD 4.07Å; I201-K311 HydrophobicContact CG1-CG 4.23Å; I201-L312 HydrophobicContact CB-CD2 4.1Å; I201-L312 HydrophobicContact CD1-CD2 4.05Å; I201-L312 HydrophobicContact CG2-CD2 3.71Å; I201-L312 HydrophobicContact CG2-CG 3.82Å
202	V	95.1	Very high	92.7	Very high	65 Å²	65	50.8 Å²	50.8	39%	0.394	28%	0.279	S	S	.	.	H	α-helix	trans	-60.3	-45.4	178.5	173.3	0	0	0	0	111.9	I198 L199 S204 T205 I206	I198-V202 HydrophobicContact CG2-CG2 4.42Å; I198-V202 WeakPolarHBondContact O-CG2 3.49Å; I198-V202 PolarHBondContact O-N 3.42Å; L199-V202 PolarHBondContact O-N 3.48Å; V202-S204 VanDerWaalsContact C-N 3.33Å; V202-S204 PolarHBondContact O-N 3.49Å; V202-T205 PolarHBondContact O-N 2.95Å; V202-T205 PolarHBondContact O-OG1 2.81Å; V202-I206 HydrophobicContact CG1-CD1 3.79Å; V202-I206 HydrophobicContact CG1-CG1 4.48Å; V202-I206 VanDerWaalsContact O-CG1 3.32Å; V202-I206 WeakPolarHBondContact O-CG1 3.31Å; V202-I206 PolarHBondContact O-N 3.08Å
203	L	95.1	Very high	92.4	Very high	80 Å²	80	49.9 Å²	49.9	42%	0.419	28%	0.275	S	S	.	.	H	α-helix	trans	-59.6	-43.9	175.6	178.2	61.8	0	0	0	111.5	L199 I201 T205 I206 A207 V234	L199-L203 VanDerWaalsContact O-CB 3.3Å; L199-L203 WeakPolarHBondContact O-CB 3.26Å; L199-L203 PolarHBondContact O-N 3.3Å; I201-L203 PolarHBondContact O-N 3.39Å; L203-T205 PolarHBondContact O-N 2.88Å; L203-I206 PolarHBondContact O-N 3.17Å; L203-A207 WeakPolarHBondContact O-CB 3.43Å; L203-A207 PolarHBondContact O-N 2.95Å; L203-V234 HydrophobicContact CD1-CG1 4.18Å; L203-V234 HydrophobicContact CD2-CG1 4.29Å; L203-V234 HydrophobicContact CG-CG1 4.08Å
204	S	94.5	Very high	91.9	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-69.2	-29.3	179.9	75.3	0	0	0	0	113.7	F200 I201 V202 L208 R308	F200-S204 WeakPolarHBondContact O-CB 3.48Å; F200-S204 PolarHBondContact O-N 2.85Å; F200-S204 PolarHBondContact O-OG 2.89Å; I201-S204 PolarHBondContact O-N 3.21Å; I201-S204 PolarHBondContact O-OG 3.48Å; V202-S204 VanDerWaalsContact C-N 3.33Å; V202-S204 PolarHBondContact O-N 3.49Å; S204-L208 WeakPolarHBondContact O-CB 3.44Å; S204-L208 PolarHBondContact O-N 3.31Å; S204-L208 VanDerWaalsContact O-N 3.08Å; S204-R308 WeakPolarHBondContact OG-CD 3.39Å
205	T	93	Very high	91.5	Very high	29 Å²	29	58.3 Å²	58.3	18%	0.178	32%	0.318	C	S	.	.	H	α-helix	trans	-77.7	-37	173	53.5	0	0	0	0	111.8	I201 V202 L203 L208 S209 R308 I309	I201-T205 PolarHBondContact O-N 2.99Å; I201-T205 PolarHBondContact O-OG1 3.49Å; V202-T205 PolarHBondContact O-N 2.95Å; V202-T205 PolarHBondContact O-OG1 2.81Å; L203-T205 PolarHBondContact O-N 2.88Å; T205-L208 PolarHBondContact O-N 3.3Å; T205-S209 PolarHBondContact O-N 2.98Å; T205-S209 PolarHBondContact O-OG 3.26Å; T205-R308 HydrophobicContact CG2-CG 4.04Å; T205-I309 HydrophobicContact CG2-CB 4.05Å; T205-I309 HydrophobicContact CG2-CD1 4.45Å; T205-I309 HydrophobicContact CG2-CG1 4.13Å
206	I	93.4	Very high	90.9	Very high	88 Å²	88	56.5 Å²	56.5	45%	0.451	31%	0.309	S	S	.	.	H	α-helix	trans	-63.1	-45.7	172	-67.8	168	0	0	0	110.4	V202 L203 L208 S209 L210	V202-I206 HydrophobicContact CG1-CD1 3.79Å; V202-I206 HydrophobicContact CG1-CG1 4.48Å; V202-I206 VanDerWaalsContact O-CG1 3.32Å; V202-I206 WeakPolarHBondContact O-CG1 3.31Å; V202-I206 PolarHBondContact O-N 3.08Å; L203-I206 PolarHBondContact O-N 3.17Å; I206-L208 VanDerWaalsContact C-N 3.3Å; I206-L208 PolarHBondContact O-N 3.34Å; I206-S209 PolarHBondContact O-N 2.72Å; I206-L210 HydrophobicContact CG2-CD1 3.83Å; I206-L210 HydrophobicContact CG2-CG 4.24Å; I206-L210 WeakPolarHBondContact O-CG 3.25Å; I206-L210 PolarHBondContact O-N 2.83Å
207	A	91.7	Very high	90.3	Very high	6 Å²	6	55.9 Å²	55.9	5%	0.05	31%	0.305	C	S	.	.	H	α-helix	trans	-62.9	-34.5	176	0	0	0	0	0	112.7	L203 N211 V234	L203-A207 WeakPolarHBondContact O-CB 3.43Å; L203-A207 PolarHBondContact O-N 2.95Å; A207-N211 WeakPolarHBondContact O-CB 3.49Å; A207-N211 PolarHBondContact O-N 2.73Å; A207-N211 VanDerWaalsContact O-N 3.08Å; A207-N211 PolarHBondContact O-ND2 3.1Å; A207-N211 VanDerWaalsContact O-ND2 3.15Å; A207-V234 HydrophobicContact CB-CG1 4.03Å
208	L	89.4	Confident	89.4	Confident	28 Å²	28	56.7 Å²	56.7	15%	0.147	32%	0.315	C	S	.	.	H	α-helix	trans	-64.3	-48.5	171.5	179.6	59.6	0	0	0	111.4	S204 T205 I206 N211 T212 R305 I306	S204-L208 WeakPolarHBondContact O-CB 3.44Å; S204-L208 PolarHBondContact O-N 3.31Å; S204-L208 VanDerWaalsContact O-N 3.08Å; T205-L208 PolarHBondContact O-N 3.3Å; I206-L208 VanDerWaalsContact C-N 3.3Å; I206-L208 PolarHBondContact O-N 3.34Å; L208-N211 PolarHBondContact O-N 2.85Å; L208-T212 PolarHBondContact O-N 3.22Å; L208-R305 HydrophobicContact CD1-CB 4.12Å; L208-R305 HydrophobicContact CD2-CB 4.34Å; L208-I306 HydrophobicContact CD2-CB 4.21Å; L208-I306 HydrophobicContact CD2-CG1 4.44Å
209	S	90.3	Very high	88.3	Confident	72 Å²	72	59.1 Å²	59.1	50%	0.503	33%	0.332	S	S	.	.	H	α-helix	trans	-62	-44.6	178.3	-61.6	0	0	0	0	112.4	T205 I206 N211 T212	T205-S209 PolarHBondContact O-N 2.98Å; T205-S209 PolarHBondContact O-OG 3.26Å; I206-S209 PolarHBondContact O-N 2.72Å; S209-N211 VanDerWaalsContact C-N 3.31Å; S209-N211 PolarHBondContact O-N 3.44Å; S209-T212 WeakPolarHBondContact O-CB 3.32Å; S209-T212 PolarHBondContact O-N 3.41Å; S209-T212 PolarHBondContact O-OG1 3.15Å
210	L	90.7	Very high	87	Confident	68 Å²	68	57.4 Å²	57.4	36%	0.356	32%	0.324	S	S	.	.	H	α-helix	trans	-64.9	-33.7	177.8	-67.5	174.3	0	0	0	112.2	I206 T212 L213 L216 L231	I206-L210 HydrophobicContact CG2-CD1 3.83Å; I206-L210 HydrophobicContact CG2-CG 4.24Å; I206-L210 WeakPolarHBondContact O-CG 3.25Å; I206-L210 PolarHBondContact O-N 2.83Å; L210-T212 PolarHBondContact O-N 2.87Å; L210-L213 HydrophobicContact CD2-CD1 3.86Å; L210-L213 WeakPolarHBondContact O-CB 3.45Å; L210-L213 PolarHBondContact O-N 3.31Å; L210-L213 VanDerWaalsContact O-N 3.15Å; L210-L216 HydrophobicContact CB-CD1 3.99Å; L210-L216 HydrophobicContact CD2-CD1 4.03Å; L210-L231 HydrophobicContact CB-CD2 3.62Å
211	N	86.4	Confident	85.4	Confident	6 Å²	6	64.8 Å²	64.8	3%	0.032	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-10.7	171.1	-89.2	-45.5	0	0	0	113.9	A207 L208 S209 Q217 N228 L231	A207-N211 WeakPolarHBondContact O-CB 3.49Å; A207-N211 PolarHBondContact O-N 2.73Å; A207-N211 VanDerWaalsContact O-N 3.08Å; A207-N211 PolarHBondContact O-ND2 3.1Å; A207-N211 VanDerWaalsContact O-ND2 3.15Å; L208-N211 PolarHBondContact O-N 2.85Å; S209-N211 VanDerWaalsContact C-N 3.31Å; S209-N211 PolarHBondContact O-N 3.44Å; N211-Q217 PolarHBondContact O-NE2 2.96Å; N211-N228 PolarHBondContact OD1-N 3.4Å; N211-L231 HydrophobicContact CB-CD2 4.35Å
212	T	86	Confident	83.9	Confident	95 Å²	95	73 Å²	73	58%	0.583	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-14	172.4	69.1	0	0	0	0	114	L208 S209 L210	L208-T212 PolarHBondContact O-N 3.22Å; S209-T212 WeakPolarHBondContact O-CB 3.32Å; S209-T212 PolarHBondContact O-N 3.41Å; S209-T212 PolarHBondContact O-OG1 3.15Å; L210-T212 PolarHBondContact O-N 2.87Å
213	L	86.9	Confident	82.3	Confident	72 Å²	72	72.9 Å²	72.9	38%	0.377	41%	0.407	S	S	.	.			trans	-75.1	123	179.8	-64.3	179.5	0	0	0	110.9	L210 E215 L216 Q217	L210-L213 HydrophobicContact CD2-CD1 3.86Å; L210-L213 WeakPolarHBondContact O-CB 3.45Å; L210-L213 PolarHBondContact O-N 3.31Å; L210-L213 VanDerWaalsContact O-N 3.15Å; L213-E215 PolarHBondContact O-N 3.32Å; L213-L216 HydrophobicContact CB-CB 4.39Å; L213-L216 HydrophobicContact CB-CD1 4.32Å; L213-L216 HydrophobicContact CB-CG 4.27Å; L213-L216 HydrophobicContact CD1-CD1 3.98Å; L213-L216 PolarHBondContact O-N 2.97Å; L213-L216 VanDerWaalsContact O-N 3.12Å; L213-Q217 PolarHBondContact O-N 3.41Å
214	P	81.8	Confident	81	Confident	91 Å²	91	72.3 Å²	72.3	59%	0.591	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-24.2	-178.1	27.9	-35	0	0	0	112.9	L216	P214-L216 PolarHBondContact O-N 3.29Å
215	E	83.1	Confident	79.6	Confident	150 Å²	150	75.3 Å²	75.3	70%	0.701	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-18.3	176.2	-51.9	78.9	-174.1	0	0	113	L213	L213-E215 PolarHBondContact O-N 3.32Å
216	L	81.6	Confident	78.6	Confident	63 Å²	63	76 Å²	76	33%	0.33	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-19.2	178.7	-63.3	-177.1	0	0	0	113.1	L210 L213 P214 N228	L210-L216 HydrophobicContact CB-CD1 3.99Å; L210-L216 HydrophobicContact CD2-CD1 4.03Å; L213-L216 HydrophobicContact CB-CB 4.39Å; L213-L216 HydrophobicContact CB-CD1 4.32Å; L213-L216 HydrophobicContact CB-CG 4.27Å; L213-L216 HydrophobicContact CD1-CD1 3.98Å; L213-L216 PolarHBondContact O-N 2.97Å; L213-L216 VanDerWaalsContact O-N 3.12Å; P214-L216 PolarHBondContact O-N 3.29Å; L216-N228 VanDerWaalsContact O-CB 3.31Å; L216-N228 WeakPolarHBondContact O-CB 3.44Å; L216-N228 PolarHBondContact O-ND2 2.86Å
217	Q	81.9	Confident	77.8	Confident	41 Å²	41	73.9 Å²	73.9	19%	0.192	42%	0.417	C	S	.	.	S	Bend	trans	-66.3	144.4	177.4	-74.4	173.1	6.2	0	0	111.4	N211 L213 S225	N211-Q217 PolarHBondContact O-NE2 2.96Å; L213-Q217 PolarHBondContact O-N 3.41Å; Q217-S225 PolarHBondContact OE1-OG 3.13Å
218	G	74.8	Confident	77.4	Confident	22 Å²	22	75.3 Å²	75.3	23%	0.227	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	161.8	168.3	0	0	0	0	0	110.9	S225 T226	G218-S225 CarbonylContact O-C 3.59Å; G218-S225 VanDerWaalsContact O-CA 3.24Å; G218-S225 WeakPolarHBondContact O-CA 3.3Å; G218-T226 PolarHBondContact N-O 3.46Å; G218-T226 PolarHBondContact O-N 2.93Å; G218-T226 PolarHBondContact O-OG1 3.09Å
219	T	71.2	Confident	77.2	Confident	111 Å²	111	78.1 Å²	78.1	68%	0.681	44%	0.444	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.2	114.8	170.3	-54.4	0	0	0	0	108.7	Q224	T219-Q224 WeakPolarHBondContact CA-O 3.34Å
220	D	68.5	Low	77.1	Confident	75 Å²	75	81.9 Å²	81.9	40%	0.401	45%	0.453	S	S	.	.			trans	-69.3	164.7	175.1	-77.5	9.7	0	0	0	111.7	F222 G223 Q224 T226	D220-F222 PolarHBondContact O-N 3.42Å; D220-G223 PolarHBondContact O-N 3.39Å; D220-Q224 PolarHBondContact N-O 3.34Å; D220-T226 WeakPolarHBondContact OD1-CB 3.32Å; D220-T226 WeakPolarHBondContact OD1-CG2 3.22Å; D220-T226 PolarHBondContact OD1-OG1 2.79Å; D220-T226 VanDerWaalsContact OD2-CG2 3.25Å; D220-T226 WeakPolarHBondContact OD2-CG2 3.4Å
221	E	63.4	Low	77	Confident	199 Å²	199	80 Å²	80	93%	0.93	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-21.9	176.5	-60.1	-169	150.8	0	0	113.8	G223	E221-G223 VanDerWaalsContact C-N 3.34Å
222	F	63.1	Low	77.1	Confident	173 Å²	173	81.4 Å²	81.4	76%	0.759	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	12.1	174.9	-61.1	-77.1	0	0	0	114.4	D220 Q224	D220-F222 PolarHBondContact O-N 3.42Å; F222-Q224 VanDerWaalsContact C-N 3.28Å; F222-Q224 HydrophobicContact CB-CG 4.33Å; F222-Q224 PolarHBondContact O-N 3.26Å
223	G	62.5	Low	77.3	Confident	62 Å²	62	83.4 Å²	83.4	64%	0.639	46%	0.459	S	S	*	.	S	Bend	trans	68.3	22.6	-179.8	0	0	0	0	0	114.3	D220 E221	D220-G223 PolarHBondContact O-N 3.39Å; E221-G223 VanDerWaalsContact C-N 3.34Å
224	Q	66.1	Low	77.6	Confident	67 Å²	67	82.4 Å²	82.4	31%	0.313	46%	0.455	S	S	.	.			trans	-103.2	143.3	-177.6	-59.7	-174	29.8	0	0	110.8	T219 D220 F222 R295	T219-Q224 WeakPolarHBondContact CA-O 3.34Å; D220-Q224 PolarHBondContact N-O 3.34Å; F222-Q224 VanDerWaalsContact C-N 3.28Å; F222-Q224 HydrophobicContact CB-CG 4.33Å; F222-Q224 PolarHBondContact O-N 3.26Å; Q224-R295 VanDerWaalsContact OE1-NE 3.07Å
225	S	65.5	Low	78.1	Confident	64 Å²	64	78.3 Å²	78.3	45%	0.448	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	126	179.5	61.5	0	0	0	0	113.2	Q217 G218	Q217-S225 PolarHBondContact OE1-OG 3.13Å; G218-S225 CarbonylContact O-C 3.59Å; G218-S225 VanDerWaalsContact O-CA 3.24Å; G218-S225 WeakPolarHBondContact O-CA 3.3Å
226	T	72.6	Confident	78.5	Confident	44 Å²	44	72.6 Å²	72.6	27%	0.27	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	154.8	-178.4	33.7	0	0	0	0	113	G218 D220 N228	G218-T226 PolarHBondContact N-O 3.46Å; G218-T226 PolarHBondContact O-N 2.93Å; G218-T226 PolarHBondContact O-OG1 3.09Å; D220-T226 WeakPolarHBondContact OD1-CB 3.32Å; D220-T226 WeakPolarHBondContact OD1-CG2 3.22Å; D220-T226 PolarHBondContact OD1-OG1 2.79Å; D220-T226 VanDerWaalsContact OD2-CG2 3.25Å; D220-T226 WeakPolarHBondContact OD2-CG2 3.4Å; T226-N228 PolarHBondContact O-N 3.35Å
227	D	76.1	Confident	79.2	Confident	43 Å²	43	74 Å²	74	23%	0.23	42%	0.417	C	S	.	.			trans	-59.7	130	174.8	-77.9	-24.1	0	0	0	108.8	R302 R305	D227-R302 IonicContact OD1-CZ 3.78Å; D227-R302 IonicContact OD1-NE 3.8Å; D227-R302 PolarHBondContact OD1-NE 3.08Å; D227-R302 IonicContact OD1-NH2 2.65Å; D227-R302 PolarHBondContact OD1-NH2 2.84Å; D227-R302 IonicContact OD2-NE 3.15Å; D227-R305 IonicContact OD1-NH1 3.62Å; D227-R305 IonicContact OD2-CZ 3.83Å; D227-R305 IonicContact OD2-NH1 2.7Å; D227-R305 PolarHBondContact OD2-NH1 2.77Å; D227-R305 IonicContact OD2-NH2 3.41Å; D227-R305 PolarHBondContact OD2-NH2 2.82Å
228	N	84.8	Confident	79.9	Confident	36 Å²	36	72 Å²	72	19%	0.193	41%	0.408	C	S	.	.			trans	-61.9	131.8	-176.6	-177	-61.3	0	0	0	110.1	N211 L216 T226 Q230 L231 A232	N211-N228 PolarHBondContact OD1-N 3.4Å; L216-N228 VanDerWaalsContact O-CB 3.31Å; L216-N228 WeakPolarHBondContact O-CB 3.44Å; L216-N228 PolarHBondContact O-ND2 2.86Å; T226-N228 PolarHBondContact O-N 3.35Å; N228-Q230 PolarHBondContact O-N 3.06Å; N228-Q230 VanDerWaalsContact O-N 3.13Å; N228-Q230 PolarHBondContact OD1-N 3.24Å; N228-L231 HydrophobicContact CB-CB 4.27Å; N228-L231 PolarHBondContact O-N 3.48Å; N228-A232 WeakPolarHBondContact O-CB 3.41Å; N228-A232 PolarHBondContact O-N 2.98Å
229	P	85.1	Confident	80.9	Confident	87 Å²	87	71.1 Å²	71.1	57%	0.565	40%	0.398	S	S	*	.	H	α-helix	trans	-57.9	-33.7	-174.8	21.2	-32.9	0	0	0	113.2	H233	P229-H233 PolarHBondContact O-N 3.28Å; P229-H233 PolarHBondContact O-ND1 2.71Å
230	Q	87.6	Confident	82.1	Confident	150 Å²	150	68.4 Å²	68.4	70%	0.701	39%	0.387	S	S	*	.	H	α-helix	trans	-71.8	-41.2	177.2	-63.9	-169.5	-3.9	0	0	112.2	N228 A232 H233 V234	N228-Q230 PolarHBondContact O-N 3.06Å; N228-Q230 VanDerWaalsContact O-N 3.13Å; N228-Q230 PolarHBondContact OD1-N 3.24Å; Q230-A232 VanDerWaalsContact C-N 3.34Å; Q230-H233 PolarHBondContact O-N 2.99Å; Q230-V234 PolarHBondContact O-N 2.66Å; Q230-V234 VanDerWaalsContact O-N 3.15Å
231	L	88.5	Confident	83.4	Confident	28 Å²	28	67.3 Å²	67.3	15%	0.147	38%	0.377	C	S	.	.	H	α-helix	trans	-71	-30.1	175.1	-89	55.6	0	0	0	112.2	L210 N211 N228 H233 V234 E235	L210-L231 HydrophobicContact CB-CD2 3.62Å; N211-L231 HydrophobicContact CB-CD2 4.35Å; N228-L231 HydrophobicContact CB-CB 4.27Å; N228-L231 PolarHBondContact O-N 3.48Å; L231-H233 VanDerWaalsContact C-N 3.32Å; L231-V234 PolarHBondContact O-N 2.94Å; L231-E235 WeakPolarHBondContact O-CB 3.38Å; L231-E235 PolarHBondContact O-N 2.97Å
232	A	87.4	Confident	85	Confident	37 Å²	37	57.9 Å²	57.9	31%	0.306	33%	0.333	S	S	.	.	H	α-helix	trans	-63.7	-36.7	172.5	0	0	0	0	0	111.8	N228 Q230 A236	N228-A232 WeakPolarHBondContact O-CB 3.41Å; N228-A232 PolarHBondContact O-N 2.98Å; Q230-A232 VanDerWaalsContact C-N 3.34Å; A232-A236 WeakPolarHBondContact O-CB 3.25Å; A232-A236 PolarHBondContact O-N 3.23Å
233	H	91.2	Very high	86.6	Confident	137 Å²	137	51 Å²	51	63%	0.634	31%	0.306	S	S	*	.	H	α-helix	trans	-66	-44.3	170.4	-75.7	79.9	0	0	0	111.8	P229 Q230 L231 E235 A236 V237	P229-H233 PolarHBondContact O-N 3.28Å; P229-H233 PolarHBondContact O-ND1 2.71Å; Q230-H233 PolarHBondContact O-N 2.99Å; L231-H233 VanDerWaalsContact C-N 3.32Å; H233-E235 VanDerWaalsContact C-N 3.33Å; H233-E235 PolarHBondContact O-N 3.48Å; H233-A236 PolarHBondContact O-N 3.49Å; H233-V237 WeakPolarHBondContact O-CG2 3.41Å; H233-V237 PolarHBondContact O-N 2.94Å
234	V	92.8	Very high	88.2	Confident	51 Å²	51	52 Å²	52	31%	0.309	29%	0.294	S	S	.	.	H	α-helix	trans	-60.5	-42.7	175.7	174.9	0	0	0	0	111.2	L203 A207 Q230 L231 V237 C238	L203-V234 HydrophobicContact CD1-CG1 4.18Å; L203-V234 HydrophobicContact CD2-CG1 4.29Å; L203-V234 HydrophobicContact CG-CG1 4.08Å; A207-V234 HydrophobicContact CB-CG1 4.03Å; Q230-V234 PolarHBondContact O-N 2.66Å; Q230-V234 VanDerWaalsContact O-N 3.15Å; L231-V234 PolarHBondContact O-N 2.94Å; V234-V237 PolarHBondContact O-N 2.9Å; V234-C238 PolarHBondContact O-N 3.3Å; V234-C238 PolarHBondContact O-SG 2.9Å
235	E	92.1	Very high	89.6	Confident	5 Å²	5	49 Å²	49	2%	0.023	28%	0.28	C	S	.	.	H	α-helix	trans	-63.2	-46.6	174.7	173.3	149.7	-119.5	0	0	111.8	L231 H233 V237 C238 I239 Y275 R305 R308	L231-E235 WeakPolarHBondContact O-CB 3.38Å; L231-E235 PolarHBondContact O-N 2.97Å; H233-E235 VanDerWaalsContact C-N 3.33Å; H233-E235 PolarHBondContact O-N 3.48Å; E235-V237 VanDerWaalsContact C-N 3.3Å; E235-V237 PolarHBondContact O-N 3.22Å; E235-C238 PolarHBondContact O-N 2.99Å; E235-C238 VanDerWaalsContact O-N 3.16Å; E235-I239 HydrophobicContact CG-CG1 4.13Å; E235-I239 VanDerWaalsContact O-CG1 3.31Å; E235-I239 WeakPolarHBondContact O-CG1 3.36Å; E235-I239 PolarHBondContact O-N 2.96Å; E235-Y275 HydrophobicContact CG-CD2 4.29Å; E235-Y275 HydrophobicContact CG-CE2 4.46Å; E235-R305 IonicContact OE2-CZ 2.76Å; E235-R305 IonicContact OE2-NE 2.69Å; E235-R305 IonicContact OE2-NH1 3.98Å; E235-R305 PolarHBondContact OE2-NH1 3.05Å; E235-R308 IonicContact OE1-CZ 3.37Å; E235-R308 IonicContact OE1-NH1 3.99Å; E235-R308 PolarHBondContact OE1-NH1 2.83Å; E235-R308 IonicContact OE1-NH2 2.88Å; E235-R308 PolarHBondContact OE1-NH2 3.4Å
236	A	92.9	Very high	91	Very high	30 Å²	30	47 Å²	47	25%	0.248	26%	0.263	C	S	.	.	H	α-helix	trans	-58.1	-41.9	177.2	0	0	0	0	0	112.1	A232 H233 I239 A240 Y275	A232-A236 WeakPolarHBondContact O-CB 3.25Å; A232-A236 PolarHBondContact O-N 3.23Å; H233-A236 PolarHBondContact O-N 3.49Å; A236-I239 PolarHBondContact O-N 3.45Å; A236-A240 VanDerWaalsContact O-CB 3.29Å; A236-A240 WeakPolarHBondContact O-CB 3.41Å; A236-A240 PolarHBondContact O-N 3.32Å; A236-Y275 WeakPolarHBondContact CB-OH 3.43Å
237	V	95.8	Very high	92.1	Very high	91 Å²	91	49.5 Å²	49.5	55%	0.552	27%	0.274	S	S	*	.	H	α-helix	trans	-65.8	-42.4	175.4	173.4	0	0	0	0	111.7	F200 H233 V234 E235 A240 W241	F200-V237 HydrophobicContact CE1-CG1 4.22Å; H233-V237 WeakPolarHBondContact O-CG2 3.41Å; H233-V237 PolarHBondContact O-N 2.94Å; V234-V237 PolarHBondContact O-N 2.9Å; E235-V237 VanDerWaalsContact C-N 3.3Å; E235-V237 PolarHBondContact O-N 3.22Å; V237-A240 PolarHBondContact O-N 3.26Å; V237-W241 PolarHBondContact O-N 3.17Å
238	C	95.8	Very high	92.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-64.5	-41.7	176.1	-65.8	0	0	0	0	112.3	F200 V234 E235 W241 F242	F200-C238 HydrophobicContact CD1-CB 4.5Å; V234-C238 PolarHBondContact O-N 3.3Å; V234-C238 PolarHBondContact O-SG 2.9Å; E235-C238 PolarHBondContact O-N 2.99Å; E235-C238 VanDerWaalsContact O-N 3.16Å; C238-W241 PolarHBondContact O-N 3.2Å; C238-F242 WeakPolarHBondContact O-CD2 3.3Å; C238-F242 VanDerWaalsContact O-CG 3.27Å; C238-F242 WeakPolarHBondContact O-CG 3.3Å; C238-F242 PolarHBondContact O-N 3.27Å
239	I	95.8	Very high	93.2	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-67.6	-40.3	176.9	-65	-69.1	0	0	0	110.6	E235 A236 W241 F242 T243 Y275 Y276	E235-I239 HydrophobicContact CG-CG1 4.13Å; E235-I239 VanDerWaalsContact O-CG1 3.31Å; E235-I239 WeakPolarHBondContact O-CG1 3.36Å; E235-I239 PolarHBondContact O-N 2.96Å; A236-I239 PolarHBondContact O-N 3.45Å; I239-W241 VanDerWaalsContact C-N 3.32Å; I239-W241 PolarHBondContact O-N 3.49Å; I239-F242 HydrophobicContact CD1-CD2 4.39Å; I239-F242 PolarHBondContact O-N 3.13Å; I239-T243 HydrophobicContact CG2-CG2 4.22Å; I239-T243 WeakPolarHBondContact O-CG2 3.36Å; I239-T243 PolarHBondContact O-N 3.16Å; I239-T243 PolarHBondContact O-OG1 3.39Å; I239-T243 VanDerWaalsContact O-OG1 3.12Å; I239-Y275 HydrophobicContact CB-CD1 4.41Å; I239-Y275 HydrophobicContact CB-CG 4.34Å; I239-Y275 HydrophobicContact CG1-CD2 4.14Å; I239-Y275 HydrophobicContact CG1-CG 4.04Å; I239-Y275 HydrophobicContact CG2-CD1 3.71Å; I239-Y275 HydrophobicContact CG2-CE1 4.31Å; I239-Y275 HydrophobicContact CG2-CG 3.92Å; I239-Y276 HydrophobicContact CG2-CE2 3.78Å
240	A	96.5	Very high	93.6	Very high	53 Å²	53	47.1 Å²	47.1	44%	0.438	25%	0.254	S	S	.	.	H	α-helix	trans	-60.3	-40.2	173.7	0	0	0	0	0	112.2	A236 V237 T243 M244	A236-A240 VanDerWaalsContact O-CB 3.29Å; A236-A240 WeakPolarHBondContact O-CB 3.41Å; A236-A240 PolarHBondContact O-N 3.32Å; V237-A240 PolarHBondContact O-N 3.26Å; A240-T243 PolarHBondContact O-OG1 2.93Å; A240-M244 VanDerWaalsContact O-CB 3.28Å; A240-M244 WeakPolarHBondContact O-CB 3.35Å; A240-M244 PolarHBondContact O-N 3.22Å
241	W	96.9	Very high	93.7	Very high	53 Å²	53	44.7 Å²	44.7	20%	0.201	25%	0.245	C	C	.	.	H	α-helix	trans	-63.9	-44.9	172.5	-178.8	-91	0	0	0	111.9	L193 I196 F200 V237 C238 I239 M244 E245	L193-W241 HydrophobicContact CD2-CH2 4.4Å; I196-W241 HydrophobicContact CB-CZ2 4.34Å; I196-W241 HydrophobicContact CG2-CH2 3.7Å; I196-W241 HydrophobicContact CG2-CZ2 3.46Å; I196-W241 VanDerWaalsContact CG2-CZ2 3.46Å; I196-W241 HydrophobicContact CG2-CZ3 4.4Å; F200-W241 HydrophobicContact CB-CG 4.35Å; F200-W241 HydrophobicContact CD1-CB 4.08Å; F200-W241 HydrophobicContact CD1-CG 4.14Å; F200-W241 HydrophobicContact CD2-CB 4.28Å; F200-W241 AromaticContact CD2-CD1 3.47Å; F200-W241 VanDerWaalsContact CD2-CD1 3.47Å; F200-W241 AromaticContact CD2-CD2 3.57Å; F200-W241 HydrophobicContact CD2-CD2 3.57Å; F200-W241 AromaticContact CD2-CE2 3.68Å; F200-W241 HydrophobicContact CD2-CE3 4.26Å; F200-W241 AromaticContact CD2-CG 3.5Å; F200-W241 HydrophobicContact CD2-CG 3.5Å; F200-W241 HydrophobicContact CD2-CZ2 4.47Å; F200-W241 AromaticContact CD2-NE1 3.6Å; F200-W241 HydrophobicContact CE1-CB 4.12Å; F200-W241 HydrophobicContact CE1-CG 4.32Å; F200-W241 HydrophobicContact CE2-CB 4.32Å; F200-W241 AromaticContact CE2-CD2 3.44Å; F200-W241 HydrophobicContact CE2-CD2 3.44Å; F200-W241 VanDerWaalsContact CE2-CD2 3.44Å; F200-W241 AromaticContact CE2-CE2 3.88Å; F200-W241 AromaticContact CE2-CE3 3.65Å; F200-W241 HydrophobicContact CE2-CE3 3.65Å; F200-W241 AromaticContact CE2-CG 3.7Å; F200-W241 HydrophobicContact CE2-CG 3.7Å; F200-W241 HydrophobicContact CE2-CZ2 4.49Å; F200-W241 HydrophobicContact CE2-CZ3 4.25Å; F200-W241 HydrophobicContact CG-CB 4.16Å; F200-W241 AromaticContact CG-CD1 3.6Å; F200-W241 HydrophobicContact CG-CD2 4.3Å; F200-W241 AromaticContact CG-CG 3.74Å; F200-W241 HydrophobicContact CG-CG 3.74Å; F200-W241 HydrophobicContact CZ-CB 4.24Å; F200-W241 HydrophobicContact CZ-CD2 4.09Å; F200-W241 HydrophobicContact CZ-CE3 4.11Å; F200-W241 HydrophobicContact CZ-CG 4.11Å; V237-W241 PolarHBondContact O-N 3.17Å; C238-W241 PolarHBondContact O-N 3.2Å; I239-W241 VanDerWaalsContact C-N 3.32Å; I239-W241 PolarHBondContact O-N 3.49Å; W241-M244 HydrophobicContact CD2-CE 4.08Å; W241-M244 HydrophobicContact CE3-CE 3.6Å; W241-M244 HydrophobicContact CH2-CE 3.91Å; W241-M244 HydrophobicContact CZ2-CE 4.34Å; W241-M244 HydrophobicContact CZ3-CE 3.53Å; W241-M244 PolarHBondContact O-N 3.39Å; W241-E245 PolarHBondContact NE1-OE1 3.03Å; W241-E245 WeakPolarHBondContact O-CB 3.28Å; W241-E245 PolarHBondContact O-N 3.03Å
242	F	96.6	Very high	93.7	Very high	1 Å²	1	43.4 Å²	43.4	0%	0.004	24%	0.238	C	C	.	.	H	α-helix	trans	-67.4	-35.8	178.4	-62.9	-21	0	0	0	113.8	F200 I201 C238 I239 Y246 I272 K311	F200-F242 HydrophobicContact CB-CE1 3.83Å; F200-F242 HydrophobicContact CB-CZ 4.4Å; I201-F242 HydrophobicContact CG1-CE1 3.9Å; I201-F242 HydrophobicContact CG1-CZ 3.96Å; C238-F242 WeakPolarHBondContact O-CD2 3.3Å; C238-F242 VanDerWaalsContact O-CG 3.27Å; C238-F242 WeakPolarHBondContact O-CG 3.3Å; C238-F242 PolarHBondContact O-N 3.27Å; I239-F242 HydrophobicContact CD1-CD2 4.39Å; I239-F242 PolarHBondContact O-N 3.13Å; F242-Y246 WeakPolarHBondContact O-CB 3.48Å; F242-Y246 PolarHBondContact O-N 3.38Å; F242-I272 HydrophobicContact CB-CG2 3.47Å; F242-I272 VanDerWaalsContact CB-CG2 3.47Å; F242-I272 HydrophobicContact CD2-CG2 4.49Å; F242-I272 HydrophobicContact CG-CG2 4.49Å; F242-K311 HydrophobicContact CD1-CD 4.37Å; F242-K311 HydrophobicContact CE1-CD 4.48Å
243	T	96.8	Very high	93.8	Very high	29 Å²	29	41.7 Å²	41.7	18%	0.178	22%	0.224	C	C	.	.	H	α-helix	trans	-74.2	-36.8	176.1	54.8	0	0	0	0	112.2	I239 A240 Y246 L247 I272 Y276	I239-T243 HydrophobicContact CG2-CG2 4.22Å; I239-T243 WeakPolarHBondContact O-CG2 3.36Å; I239-T243 PolarHBondContact O-N 3.16Å; I239-T243 PolarHBondContact O-OG1 3.39Å; I239-T243 VanDerWaalsContact O-OG1 3.12Å; A240-T243 PolarHBondContact O-OG1 2.93Å; T243-Y246 PolarHBondContact O-N 3.36Å; T243-L247 WeakPolarHBondContact O-CB 3.27Å; T243-L247 PolarHBondContact O-N 3.44Å; T243-I272 HydrophobicContact CG2-CB 3.92Å; T243-I272 HydrophobicContact CG2-CD1 3.73Å; T243-I272 HydrophobicContact CG2-CG1 4.39Å; T243-I272 HydrophobicContact CG2-CG2 3.86Å; T243-Y276 HydrophobicContact CG2-CE2 3.46Å; T243-Y276 VanDerWaalsContact CG2-CE2 3.46Å; T243-Y276 VanDerWaalsContact CG2-OH 3.27Å; T243-Y276 WeakPolarHBondContact CG2-OH 3.49Å
244	M	96	Very high	93.3	Very high	81 Å²	81	36.1 Å²	36.1	40%	0.399	20%	0.2	S	C	.	.	H	α-helix	trans	-59.2	-49	169.1	-177.5	-169.4	74.6	0	0	110.7	A240 W241 Y246 L247 L248	A240-M244 VanDerWaalsContact O-CB 3.28Å; A240-M244 WeakPolarHBondContact O-CB 3.35Å; A240-M244 PolarHBondContact O-N 3.22Å; W241-M244 HydrophobicContact CD2-CE 4.08Å; W241-M244 HydrophobicContact CE3-CE 3.6Å; W241-M244 HydrophobicContact CH2-CE 3.91Å; W241-M244 HydrophobicContact CZ2-CE 4.34Å; W241-M244 HydrophobicContact CZ3-CE 3.53Å; W241-M244 PolarHBondContact O-N 3.39Å; M244-Y246 PolarHBondContact O-N 3.21Å; M244-L247 PolarHBondContact O-N 3.4Å; M244-L248 HydrophobicContact CG-CD1 3.83Å; M244-L248 HydrophobicContact CG-CG 4.33Å; M244-L248 WeakPolarHBondContact O-CB 3.25Å; M244-L248 WeakPolarHBondContact O-CG 3.45Å; M244-L248 PolarHBondContact O-N 3.46Å; M244-L248 HydrophobicContact SD-CD1 4.48Å
245	E	95.3	Very high	92.9	Very high	5 Å²	5	38.1 Å²	38.1	2%	0.023	21%	0.209	C	C	.	.	H	α-helix	trans	-55.4	-49.1	174.1	-93	-168.4	-148.4	0	0	112.6	S197 W241 L248 R249 K311	S197-E245 VanDerWaalsContact CB-OE1 3.23Å; S197-E245 WeakPolarHBondContact CB-OE1 3.5Å; S197-E245 PolarHBondContact OG-OE1 3.17Å; W241-E245 PolarHBondContact NE1-OE1 3.03Å; W241-E245 WeakPolarHBondContact O-CB 3.28Å; W241-E245 PolarHBondContact O-N 3.03Å; E245-L248 PolarHBondContact O-N 3.01Å; E245-R249 WeakPolarHBondContact O-CB 3.49Å; E245-R249 WeakPolarHBondContact O-CG 3.38Å; E245-R249 PolarHBondContact O-N 3.39Å; E245-R249 IonicContact OE2-CZ 2.98Å; E245-R249 IonicContact OE2-NH1 3.9Å; E245-R249 PolarHBondContact OE2-NH1 2.89Å; E245-R249 IonicContact OE2-NH2 3.09Å; E245-K311 VanDerWaalsContact OE2-CE 3.27Å; E245-K311 WeakPolarHBondContact OE2-CE 3.34Å; E245-K311 IonicContact OE2-NZ 3.2Å; E245-K311 PolarHBondContact OE2-NZ 2.67Å
246	Y	95.3	Very high	92.7	Very high	22 Å²	22	41.1 Å²	41.1	9%	0.086	22%	0.222	C	C	.	.	H	α-helix	trans	-64.9	-42.8	-178.1	-173.8	-107	0	0	0	111.7	F242 T243 M244 R249 F250 F259 F260 N265 D268 L269 I272	F242-Y246 WeakPolarHBondContact O-CB 3.48Å; F242-Y246 PolarHBondContact O-N 3.38Å; T243-Y246 PolarHBondContact O-N 3.36Å; M244-Y246 PolarHBondContact O-N 3.21Å; Y246-R249 PolarHBondContact O-N 2.97Å; Y246-F250 VanDerWaalsContact O-CB 3.28Å; Y246-F250 WeakPolarHBondContact O-CB 3.42Å; Y246-F250 PolarHBondContact O-N 2.94Å; Y246-F259 HydrophobicContact CD2-CE1 4.43Å; Y246-F259 HydrophobicContact CD2-CZ 4.36Å; Y246-F259 AromaticContact CE2-CE1 3.79Å; Y246-F259 HydrophobicContact CE2-CE1 3.79Å; Y246-F259 HydrophobicContact CE2-CZ 4.06Å; Y246-F259 AromaticContact CZ-CE1 3.95Å; Y246-F260 HydrophobicContact CE1-CE1 4.37Å; Y246-F260 WeakPolarHBondContact OH-CD1 3.46Å; Y246-F260 VanDerWaalsContact OH-CE1 3.23Å; Y246-F260 WeakPolarHBondContact OH-CE1 3.27Å; Y246-N265 HydrophobicContact CE2-CB 4.45Å; Y246-N265 WeakPolarHBondContact CE2-O 3.29Å; Y246-D268 HydrophobicContact CD2-CB 3.63Å; Y246-D268 HydrophobicContact CE2-CB 4.05Å; Y246-L269 HydrophobicContact CE1-CD1 4.15Å; Y246-L269 HydrophobicContact CE2-CB 4.21Å; Y246-I272 HydrophobicContact CD1-CD1 4.07Å; Y246-I272 HydrophobicContact CG-CD1 4.28Å
247	L	94.4	Very high	92.4	Very high	96 Å²	96	49.5 Å²	49.5	50%	0.503	25%	0.248	S	C	.	.	H	α-helix	trans	-65.9	-42.7	177	-178.5	60.6	0	0	0	111.4	T243 M244 F250 L251	T243-L247 WeakPolarHBondContact O-CB 3.27Å; T243-L247 PolarHBondContact O-N 3.44Å; M244-L247 PolarHBondContact O-N 3.4Å; L247-F250 PolarHBondContact O-N 3.24Å; L247-L251 HydrophobicContact CD1-CD1 4Å; L247-L251 HydrophobicContact CD1-CG 4Å; L247-L251 HydrophobicContact CG-CD1 3.88Å; L247-L251 HydrophobicContact CG-CG 4.31Å; L247-L251 VanDerWaalsContact O-CB 3.31Å; L247-L251 WeakPolarHBondContact O-CB 3.34Å; L247-L251 WeakPolarHBondContact O-CG 3.3Å; L247-L251 PolarHBondContact O-N 3.41Å
248	L	92.9	Very high	92	Very high	58 Å²	58	50.9 Å²	50.9	30%	0.304	25%	0.246	S	C	.	.	H	α-helix	trans	-64.8	-40.4	176.6	-71.5	172.1	0	0	0	111.9	L177 L181 M244 E245 S252	L177-L248 HydrophobicContact CD2-CD2 4.47Å; L181-L248 HydrophobicContact CD1-CB 3.66Å; M244-L248 HydrophobicContact CG-CD1 3.83Å; M244-L248 HydrophobicContact CG-CG 4.33Å; M244-L248 WeakPolarHBondContact O-CB 3.25Å; M244-L248 WeakPolarHBondContact O-CG 3.45Å; M244-L248 PolarHBondContact O-N 3.46Å; M244-L248 HydrophobicContact SD-CD1 4.48Å; E245-L248 PolarHBondContact O-N 3.01Å; L248-S252 VanDerWaalsContact O-CB 3.32Å; L248-S252 WeakPolarHBondContact O-CB 3.29Å; L248-S252 PolarHBondContact O-N 2.91Å; L248-S252 PolarHBondContact O-OG 3.44Å
249	R	92.2	Very high	91.7	Very high	7 Å²	7	51.2 Å²	51.2	3%	0.026	25%	0.247	C	C	.	.	H	α-helix	trans	-65.4	-43.8	171.7	-74.2	-170.9	-177.2	95.6	10.3	112	L181 E182 E245 Y246 S252 S253 F259	L181-R249 HydrophobicContact CB-CG 3.96Å; L181-R249 HydrophobicContact CD1-CG 4.2Å; L181-R249 PolarHBondContact O-NE 3.36Å; L181-R249 VanDerWaalsContact O-NE 3.14Å; L181-R249 PolarHBondContact O-NH2 3.44Å; E182-R249 WeakPolarHBondContact OE2-CD 3.24Å; E182-R249 IonicContact OE2-NE 3.18Å; E182-R249 PolarHBondContact OE2-NE 3.17Å; E245-R249 WeakPolarHBondContact O-CB 3.49Å; E245-R249 WeakPolarHBondContact O-CG 3.38Å; E245-R249 PolarHBondContact O-N 3.39Å; E245-R249 IonicContact OE2-CZ 2.98Å; E245-R249 IonicContact OE2-NH1 3.9Å; E245-R249 PolarHBondContact OE2-NH1 2.89Å; E245-R249 IonicContact OE2-NH2 3.09Å; Y246-R249 PolarHBondContact O-N 2.97Å; R249-S252 WeakPolarHBondContact CA-OG 3.27Å; R249-S252 PolarHBondContact O-N 3.49Å; R249-S252 PolarHBondContact O-OG 2.88Å; R249-S253 VanDerWaalsContact O-CB 3.29Å; R249-S253 WeakPolarHBondContact O-CB 3.42Å; R249-S253 PolarHBondContact O-N 2.93Å; R249-F259 HydrophobicContact CB-CE2 3.81Å; R249-F259 HydrophobicContact CB-CZ 3.78Å
250	F	92.5	Very high	91.4	Very high	51 Å²	51	55.1 Å²	55.1	22%	0.224	27%	0.265	C	S	.	.	H	α-helix	trans	-60.3	-49.1	176.3	175.1	-106.9	0	0	0	111.5	Y246 L247 S253 K256 F259 F260	Y246-F250 VanDerWaalsContact O-CB 3.28Å; Y246-F250 WeakPolarHBondContact O-CB 3.42Å; Y246-F250 PolarHBondContact O-N 2.94Å; L247-F250 PolarHBondContact O-N 3.24Å; F250-S253 PolarHBondContact O-OG 2.86Å; F250-K256 HydrophobicContact CD2-CD 4.39Å; F250-K256 HydrophobicContact CE2-CB 3.9Å; F250-K256 HydrophobicContact CE2-CD 3.92Å; F250-K256 HydrophobicContact CE2-CG 4.21Å; F250-K256 HydrophobicContact CZ-CB 4.29Å; F250-K256 HydrophobicContact CZ-CD 4.11Å; F250-K256 HydrophobicContact CZ-CG 4.27Å; F250-K256 PolarHBondContact O-NZ 3.31Å; F250-F259 HydrophobicContact CB-CD1 4.37Å; F250-F259 HydrophobicContact CB-CE1 3.87Å; F250-F259 HydrophobicContact CB-CZ 4.36Å; F250-F259 AromaticContact CD2-CD1 3.8Å; F250-F259 HydrophobicContact CD2-CD1 3.8Å; F250-F259 HydrophobicContact CD2-CE1 4.08Å; F250-F259 HydrophobicContact CG-CE1 4.5Å; F250-F260 AromaticContact CD2-CE2 3.94Å; F250-F260 HydrophobicContact CD2-CE2 3.94Å; F250-F260 HydrophobicContact CD2-CZ 4.05Å; F250-F260 AromaticContact CE2-CD2 3.96Å; F250-F260 HydrophobicContact CE2-CD2 3.96Å; F250-F260 AromaticContact CE2-CE2 3.28Å; F250-F260 HydrophobicContact CE2-CE2 3.28Å; F250-F260 AromaticContact CE2-CZ 3.76Å; F250-F260 HydrophobicContact CE2-CZ 3.76Å; F250-F260 AromaticContact CZ-CE2 3.94Å; F250-F260 HydrophobicContact CZ-CE2 3.94Å; F250-F260 HydrophobicContact CZ-CZ 4.35Å
251	L	90.2	Very high	91	Very high	99 Å²	99	60.8 Å²	60.8	52%	0.518	28%	0.279	S	S	.	.	H	α-helix	trans	-64.3	-42.8	179.3	-71.3	172.7	0	0	0	112.1	L247 K256	L247-L251 HydrophobicContact CD1-CD1 4Å; L247-L251 HydrophobicContact CD1-CG 4Å; L247-L251 HydrophobicContact CG-CD1 3.88Å; L247-L251 HydrophobicContact CG-CG 4.31Å; L247-L251 VanDerWaalsContact O-CB 3.31Å; L247-L251 WeakPolarHBondContact O-CB 3.34Å; L247-L251 WeakPolarHBondContact O-CG 3.3Å; L247-L251 PolarHBondContact O-N 3.41Å; L251-K256 PolarHBondContact O-NZ 2.99Å
252	S	88.9	Confident	90.6	Very high	1 Å²	1	59 Å²	59	1%	0.007	28%	0.277	C	S	.	.	H	α-helix	trans	-70.3	-42.6	178.7	53.9	0	0	0	0	113.2	F165 R174 L248 R249	F165-S252 WeakPolarHBondContact CE1-O 3.34Å; R174-S252 VanDerWaalsContact CG-O 3.28Å; R174-S252 WeakPolarHBondContact CG-O 3.49Å; R174-S252 PolarHBondContact NE-O 2.9Å; L248-S252 VanDerWaalsContact O-CB 3.32Å; L248-S252 WeakPolarHBondContact O-CB 3.29Å; L248-S252 PolarHBondContact O-N 2.91Å; L248-S252 PolarHBondContact O-OG 3.44Å; R249-S252 WeakPolarHBondContact CA-OG 3.27Å; R249-S252 PolarHBondContact O-N 3.49Å; R249-S252 PolarHBondContact O-OG 2.88Å
253	S	87.8	Confident	90.3	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.007	31%	0.306	C	S	.	.			trans	-44.9	140	-175.4	68	0	0	0	0	114	R174 R249 F250 K256	R174-S253 PolarHBondContact NH2-O 3.17Å; R249-S253 VanDerWaalsContact O-CB 3.29Å; R249-S253 WeakPolarHBondContact O-CB 3.42Å; R249-S253 PolarHBondContact O-N 2.93Å; F250-S253 PolarHBondContact O-OG 2.86Å; S253-K256 PolarHBondContact O-NZ 3.04Å
254	P	81.9	Confident	90	Very high	20 Å²	20	64.1 Å²	64.1	13%	0.13	31%	0.309	C	S	.	.	S	Bend	trans	-64.7	-62	179.7	22.9	-30.3	0	0	0	110.8	E163 F165 R174	E163-P254 HydrophobicContact CB-CG 4.17Å; E163-P254 HydrophobicContact CG-CG 4.05Å; F165-P254 HydrophobicContact CE1-CB 4.27Å; F165-P254 HydrophobicContact CZ-CB 4.27Å; F165-P254 HydrophobicContact CZ-CG 4.35Å; R174-P254 PolarHBondContact NH2-O 3.34Å
255	N	84.2	Confident	89.9	Confident	94 Å²	94	60.9 Å²	60.9	50%	0.503	29%	0.293	S	S	.	.			trans	-103.3	104.2	-173.5	-87.2	-61.5	0	0	0	112.7	W257 K258 F259	N255-W257 PolarHBondContact O-N 2.95Å; N255-K258 HydrophobicContact CB-CB 3.74Å; N255-K258 PolarHBondContact O-N 2.98Å; N255-K258 VanDerWaalsContact O-N 3.14Å; N255-F259 PolarHBondContact O-N 3.4Å
256	K	88.1	Confident	89.8	Confident	67 Å²	67	63.3 Å²	63.3	29%	0.291	31%	0.308	S	S	.	.	H	α-helix	trans	-59.7	-39.2	-172.8	-52.9	-49.2	-178.7	-168.5	0	114.2	F250 L251 S253 F259 F260	F250-K256 HydrophobicContact CD2-CD 4.39Å; F250-K256 HydrophobicContact CE2-CB 3.9Å; F250-K256 HydrophobicContact CE2-CD 3.92Å; F250-K256 HydrophobicContact CE2-CG 4.21Å; F250-K256 HydrophobicContact CZ-CB 4.29Å; F250-K256 HydrophobicContact CZ-CD 4.11Å; F250-K256 HydrophobicContact CZ-CG 4.27Å; F250-K256 PolarHBondContact O-NZ 3.31Å; L251-K256 PolarHBondContact O-NZ 2.99Å; S253-K256 PolarHBondContact O-NZ 3.04Å; K256-F259 WeakPolarHBondContact O-CB 3.16Å; K256-F259 PolarHBondContact O-N 3.07Å; K256-F260 WeakPolarHBondContact O-CD2 3.43Å; K256-F260 PolarHBondContact O-N 2.88Å
257	W	87.2	Confident	89.8	Confident	207 Å²	207	64.2 Å²	64.2	78%	0.784	31%	0.314	S	S	*	.	H	α-helix	trans	-74.4	-34.3	176.6	-75.4	104	0	0	0	113.3	N255 F259 K261	N255-W257 PolarHBondContact O-N 2.95Å; W257-F259 VanDerWaalsContact C-N 3.32Å; W257-K261 PolarHBondContact O-N 3.31Å
258	K	86	Confident	89.8	Confident	119 Å²	119	59.8 Å²	59.8	52%	0.517	29%	0.29	S	S	.	.	H	α-helix	trans	-66.1	-38.6	171.8	-164.9	178.6	-176.2	-177.6	0	110	D159 N255 G262	D159-K258 IonicContact OD1-NZ 2.66Å; D159-K258 PolarHBondContact OD1-NZ 3.43Å; N255-K258 HydrophobicContact CB-CB 3.74Å; N255-K258 PolarHBondContact O-N 2.98Å; N255-K258 VanDerWaalsContact O-N 3.14Å; K258-G262 PolarHBondContact O-N 2.8Å
259	F	89.1	Confident	89.8	Confident	7 Å²	7	59.8 Å²	59.8	3%	0.031	29%	0.29	C	S	.	.	H	α-helix	trans	-60	-56.1	173.9	-178.4	-92.8	0	0	0	112.2	W178 Y246 R249 F250 N255 K256 W257 K261 G262 N265	W178-F259 HydrophobicContact CH2-CD2 4.11Å; W178-F259 HydrophobicContact CH2-CE2 4.42Å; W178-F259 HydrophobicContact CZ3-CD2 4.25Å; W178-F259 HydrophobicContact CZ3-CE2 4.25Å; Y246-F259 HydrophobicContact CD2-CE1 4.43Å; Y246-F259 HydrophobicContact CD2-CZ 4.36Å; Y246-F259 AromaticContact CE2-CE1 3.79Å; Y246-F259 HydrophobicContact CE2-CE1 3.79Å; Y246-F259 HydrophobicContact CE2-CZ 4.06Å; Y246-F259 AromaticContact CZ-CE1 3.95Å; R249-F259 HydrophobicContact CB-CE2 3.81Å; R249-F259 HydrophobicContact CB-CZ 3.78Å; F250-F259 HydrophobicContact CB-CD1 4.37Å; F250-F259 HydrophobicContact CB-CE1 3.87Å; F250-F259 HydrophobicContact CB-CZ 4.36Å; F250-F259 AromaticContact CD2-CD1 3.8Å; F250-F259 HydrophobicContact CD2-CD1 3.8Å; F250-F259 HydrophobicContact CD2-CE1 4.08Å; F250-F259 HydrophobicContact CG-CE1 4.5Å; N255-F259 PolarHBondContact O-N 3.4Å; K256-F259 WeakPolarHBondContact O-CB 3.16Å; K256-F259 PolarHBondContact O-N 3.07Å; W257-F259 VanDerWaalsContact C-N 3.32Å; F259-K261 VanDerWaalsContact C-N 3.26Å; F259-K261 PolarHBondContact O-N 3.31Å; F259-G262 PolarHBondContact O-N 3.38Å; F259-N265 HydrophobicContact CD1-CB 4.4Å; F259-N265 VanDerWaalsContact CD2-ND2 3.31Å; F259-N265 WeakPolarHBondContact CD2-ND2 3.45Å; F259-N265 HydrophobicContact CE1-CB 4.1Å; F259-N265 HydrophobicContact CE2-CB 4.2Å; F259-N265 VanDerWaalsContact CE2-CG 3.42Å; F259-N265 WeakPolarHBondContact CE2-OD1 3.41Å; F259-N265 HydrophobicContact CZ-CB 3.99Å; F259-N265 VanDerWaalsContact O-CB 3.3Å; F259-N265 WeakPolarHBondContact O-CB 3.16Å; F259-N265 PolarHBondContact O-ND2 2.8Å
260	F	89.5	Confident	89.9	Confident	87 Å²	87	62.2 Å²	62.2	38%	0.382	30%	0.304	S	S	.	.	H	α-helix	trans	-59.6	-32	-179.7	-85.8	-61.7	0	0	0	114	Y246 F250 K256 G262 V266	Y246-F260 HydrophobicContact CE1-CE1 4.37Å; Y246-F260 WeakPolarHBondContact OH-CD1 3.46Å; Y246-F260 VanDerWaalsContact OH-CE1 3.23Å; Y246-F260 WeakPolarHBondContact OH-CE1 3.27Å; F250-F260 AromaticContact CD2-CE2 3.94Å; F250-F260 HydrophobicContact CD2-CE2 3.94Å; F250-F260 HydrophobicContact CD2-CZ 4.05Å; F250-F260 AromaticContact CE2-CD2 3.96Å; F250-F260 HydrophobicContact CE2-CD2 3.96Å; F250-F260 AromaticContact CE2-CE2 3.28Å; F250-F260 HydrophobicContact CE2-CE2 3.28Å; F250-F260 AromaticContact CE2-CZ 3.76Å; F250-F260 HydrophobicContact CE2-CZ 3.76Å; F250-F260 AromaticContact CZ-CE2 3.94Å; F250-F260 HydrophobicContact CZ-CE2 3.94Å; F250-F260 HydrophobicContact CZ-CZ 4.35Å; K256-F260 WeakPolarHBondContact O-CD2 3.43Å; K256-F260 PolarHBondContact O-N 2.88Å; F260-G262 VanDerWaalsContact C-N 3.35Å; F260-V266 WeakPolarHBondContact O-CG2 3.37Å
261	K	89	Confident	90	Very high	171 Å²	171	60 Å²	60	74%	0.743	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-5.9	176.4	-68.2	-175.9	178.3	-176.5	0	114.1	W257 F259	W257-K261 PolarHBondContact O-N 3.31Å; F259-K261 VanDerWaalsContact C-N 3.26Å; F259-K261 PolarHBondContact O-N 3.31Å
262	G	89.4	Confident	90.2	Very high	16 Å²	16	55.9 Å²	55.9	17%	0.165	27%	0.273	C	S	.	.	S	Bend	trans	-74.2	129.2	179.7	0	0	0	0	0	112.1	K258 F259 F260 L264 N265 V266	K258-G262 PolarHBondContact O-N 2.8Å; F259-G262 PolarHBondContact O-N 3.38Å; F260-G262 VanDerWaalsContact C-N 3.35Å; G262-L264 PolarHBondContact O-N 3.28Å; G262-N265 WeakPolarHBondContact O-CA 3.34Å; G262-N265 WeakPolarHBondContact O-CB 3.34Å; G262-N265 PolarHBondContact O-N 2.9Å; G262-V266 PolarHBondContact O-N 2.81Å
263	P	89.9	Confident	90.5	Very high	92 Å²	92	58.4 Å²	58.4	60%	0.597	29%	0.286	S	S	*	.	H	α-helix	trans	-62.4	-37	-169.4	22.5	-33.4	0	0	0	113.9	N265 V266 I267	P263-N265 VanDerWaalsContact C-N 3.3Å; P263-N265 PolarHBondContact O-N 3.39Å; P263-V266 PolarHBondContact O-N 2.78Å; P263-I267 WeakPolarHBondContact O-CG1 3.43Å; P263-I267 PolarHBondContact O-N 2.88Å
264	L	90.3	Very high	90.7	Very high	46 Å²	46	58.4 Å²	58.4	24%	0.241	29%	0.286	C	S	.	.	H	α-helix	trans	-65.9	-33.1	174.8	-61.8	178.8	0	0	0	112.3	G262 I267 D268 A313	G262-L264 PolarHBondContact O-N 3.28Å; L264-I267 PolarHBondContact O-N 3.23Å; L264-D268 PolarHBondContact O-N 2.68Å; L264-A313 HydrophobicContact CD2-CB 4.17Å
265	N	93.3	Very high	91.2	Very high	13 Å²	13	60.3 Å²	60.3	7%	0.07	29%	0.291	C	S	.	.	H	α-helix	trans	-77.8	-29.8	178.3	-51.6	-35.7	0	0	0	111.4	Y246 F259 G262 P263 L269 R314	Y246-N265 HydrophobicContact CE2-CB 4.45Å; Y246-N265 WeakPolarHBondContact CE2-O 3.29Å; F259-N265 HydrophobicContact CD1-CB 4.4Å; F259-N265 VanDerWaalsContact CD2-ND2 3.31Å; F259-N265 WeakPolarHBondContact CD2-ND2 3.45Å; F259-N265 HydrophobicContact CE1-CB 4.1Å; F259-N265 HydrophobicContact CE2-CB 4.2Å; F259-N265 VanDerWaalsContact CE2-CG 3.42Å; F259-N265 WeakPolarHBondContact CE2-OD1 3.41Å; F259-N265 HydrophobicContact CZ-CB 3.99Å; F259-N265 VanDerWaalsContact O-CB 3.3Å; F259-N265 WeakPolarHBondContact O-CB 3.16Å; F259-N265 PolarHBondContact O-ND2 2.8Å; G262-N265 WeakPolarHBondContact O-CA 3.34Å; G262-N265 WeakPolarHBondContact O-CB 3.34Å; G262-N265 PolarHBondContact O-N 2.9Å; P263-N265 VanDerWaalsContact C-N 3.3Å; P263-N265 PolarHBondContact O-N 3.39Å; N265-L269 WeakPolarHBondContact O-CB 3.3Å; N265-L269 PolarHBondContact O-N 2.84Å; N265-R314 PolarHBondContact OD1-NH2 3.02Å
266	V	93.9	Very high	91.6	Very high	56 Å²	56	61.2 Å²	61.2	34%	0.339	29%	0.288	S	S	.	.	H	α-helix	trans	-64.9	-42.9	168	175.1	0	0	0	0	110.1	F260 G262 P263 L269 L270	F260-V266 WeakPolarHBondContact O-CG2 3.37Å; G262-V266 PolarHBondContact O-N 2.81Å; P263-V266 PolarHBondContact O-N 2.78Å; V266-L269 PolarHBondContact O-N 3.47Å; V266-L270 HydrophobicContact CG1-CD1 3.84Å; V266-L270 HydrophobicContact CG1-CG 4.23Å; V266-L270 VanDerWaalsContact O-CG 3.26Å; V266-L270 WeakPolarHBondContact O-CG 3.46Å; V266-L270 PolarHBondContact O-N 3.3Å
267	I	94.3	Very high	91.8	Very high	40 Å²	40	59.9 Å²	59.9	21%	0.205	29%	0.286	C	S	.	.	H	α-helix	trans	-60.9	-45.7	174.5	-69.3	165.9	0	0	0	111.4	P263 L264 L269 L270 A271 L310	P263-I267 WeakPolarHBondContact O-CG1 3.43Å; P263-I267 PolarHBondContact O-N 2.88Å; L264-I267 PolarHBondContact O-N 3.23Å; I267-L269 VanDerWaalsContact C-N 3.29Å; I267-L269 PolarHBondContact O-N 3.3Å; I267-L270 PolarHBondContact O-N 3.22Å; I267-A271 WeakPolarHBondContact O-CB 3.26Å; I267-A271 PolarHBondContact O-N 2.85Å; I267-L310 HydrophobicContact CG2-CB 3.79Å
268	D	94.4	Very high	91.8	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.016	25%	0.254	C	S	.	.	H	α-helix	trans	-58.3	-39.2	174.9	-79.7	-47.2	0	0	0	112.4	Y246 L264 A271 K311 R314	Y246-D268 HydrophobicContact CD2-CB 3.63Å; Y246-D268 HydrophobicContact CE2-CB 4.05Å; L264-D268 PolarHBondContact O-N 2.68Å; D268-A271 PolarHBondContact O-N 3.15Å; D268-K311 WeakPolarHBondContact OD1-CD 3.39Å; D268-K311 WeakPolarHBondContact OD1-CE 3.33Å; D268-K311 WeakPolarHBondContact OD1-CG 3.37Å; D268-K311 IonicContact OD1-NZ 2.82Å; D268-K311 PolarHBondContact OD1-NZ 2.77Å; D268-R314 IonicContact OD2-CZ 2.83Å; D268-R314 VanDerWaalsContact OD2-CZ 3.23Å; D268-R314 IonicContact OD2-NE 3.09Å; D268-R314 PolarHBondContact OD2-NE 2.83Å; D268-R314 IonicContact OD2-NH2 2.64Å; D268-R314 PolarHBondContact OD2-NH2 3.29Å
269	L	94.5	Very high	91.9	Very high	58 Å²	58	49 Å²	49	30%	0.304	25%	0.248	S	C	.	.	H	α-helix	trans	-68.4	-44.4	176.3	-178.9	60.4	0	0	0	112.2	Y246 N265 V266 I267 A271 I272 L273	Y246-L269 HydrophobicContact CE1-CD1 4.15Å; Y246-L269 HydrophobicContact CE2-CB 4.21Å; N265-L269 WeakPolarHBondContact O-CB 3.3Å; N265-L269 PolarHBondContact O-N 2.84Å; V266-L269 PolarHBondContact O-N 3.47Å; I267-L269 VanDerWaalsContact C-N 3.29Å; I267-L269 PolarHBondContact O-N 3.3Å; L269-A271 PolarHBondContact O-N 2.94Å; L269-I272 HydrophobicContact CD1-CD1 4.23Å; L269-I272 HydrophobicContact CD1-CG1 4.34Å; L269-I272 WeakPolarHBondContact O-CG1 3.38Å; L269-I272 PolarHBondContact O-N 2.97Å; L269-L273 VanDerWaalsContact O-CB 3.27Å; L269-L273 WeakPolarHBondContact O-CB 3.26Å; L269-L273 PolarHBondContact O-N 2.8Å
270	L	93.7	Very high	91.8	Very high	59 Å²	59	55.6 Å²	55.6	31%	0.309	28%	0.277	S	S	.	.	H	α-helix	trans	-66.2	-23.8	177.6	-65.9	171.2	0	0	0	112.5	V266 I267 P274 M304 L307	V266-L270 HydrophobicContact CG1-CD1 3.84Å; V266-L270 HydrophobicContact CG1-CG 4.23Å; V266-L270 VanDerWaalsContact O-CG 3.26Å; V266-L270 WeakPolarHBondContact O-CG 3.46Å; V266-L270 PolarHBondContact O-N 3.3Å; I267-L270 PolarHBondContact O-N 3.22Å; L270-P274 WeakPolarHBondContact O-CD 3.39Å; L270-M304 HydrophobicContact CB-CE 4.17Å; L270-M304 HydrophobicContact CD2-CE 3.45Å; L270-M304 VanDerWaalsContact CD2-CE 3.45Å; L270-M304 HydrophobicContact CG-CE 4.38Å; L270-L307 HydrophobicContact CB-CD1 4.31Å
271	A	94.2	Very high	91.7	Very high	4 Å²	4	53 Å²	53	3%	0.033	27%	0.267	C	S	.	.	H	α-helix	trans	-72.6	-26.5	174.3	0	0	0	0	0	113.8	I267 D268 L269 R308	I267-A271 WeakPolarHBondContact O-CB 3.26Å; I267-A271 PolarHBondContact O-N 2.85Å; D268-A271 PolarHBondContact O-N 3.15Å; L269-A271 PolarHBondContact O-N 2.94Å; A271-R308 HydrophobicContact CB-CB 4.04Å
272	I	95.2	Very high	91.2	Very high	12 Å²	12	48.6 Å²	48.6	6%	0.062	26%	0.255	C	S	.	.	H	α-helix	trans	-102.3	-32.5	-178.5	60.5	172.4	0	0	0	113.3	F242 T243 Y246 L269 P274 Y275 Y276	F242-I272 HydrophobicContact CB-CG2 3.47Å; F242-I272 VanDerWaalsContact CB-CG2 3.47Å; F242-I272 HydrophobicContact CD2-CG2 4.49Å; F242-I272 HydrophobicContact CG-CG2 4.49Å; T243-I272 HydrophobicContact CG2-CB 3.92Å; T243-I272 HydrophobicContact CG2-CD1 3.73Å; T243-I272 HydrophobicContact CG2-CG1 4.39Å; T243-I272 HydrophobicContact CG2-CG2 3.86Å; Y246-I272 HydrophobicContact CD1-CD1 4.07Å; Y246-I272 HydrophobicContact CG-CD1 4.28Å; L269-I272 HydrophobicContact CD1-CD1 4.23Å; L269-I272 HydrophobicContact CD1-CG1 4.34Å; L269-I272 WeakPolarHBondContact O-CG1 3.38Å; L269-I272 PolarHBondContact O-N 2.97Å; I272-P274 VanDerWaalsContact C-CD 3.43Å; I272-Y275 PolarHBondContact O-N 3.48Å; I272-Y276 WeakPolarHBondContact O-CD2 3.36Å
273	L	93.8	Very high	90.9	Very high	54 Å²	54	53.2 Å²	53.2	28%	0.283	27%	0.272	S	S	.	.	H	α-helix	trans	-52.9	-41.5	-174.5	-179.4	154.1	0	0	0	114.6	L269 Y275 Y276 V277 F301 M304	L269-L273 VanDerWaalsContact O-CB 3.27Å; L269-L273 WeakPolarHBondContact O-CB 3.26Å; L269-L273 PolarHBondContact O-N 2.8Å; L273-Y275 VanDerWaalsContact C-N 3.26Å; L273-Y275 PolarHBondContact O-N 3.04Å; L273-Y276 PolarHBondContact O-N 3.35Å; L273-V277 HydrophobicContact CD2-CB 4.44Å; L273-V277 HydrophobicContact CD2-CG2 3.68Å; L273-V277 HydrophobicContact CG-CG2 3.92Å; L273-V277 WeakPolarHBondContact O-CG2 3.29Å; L273-V277 PolarHBondContact O-N 3.42Å; L273-F301 HydrophobicContact CD2-CD1 4.22Å; L273-F301 HydrophobicContact CD2-CE1 3.69Å; L273-M304 HydrophobicContact CD2-CE 4.1Å; L273-M304 HydrophobicContact CD2-SD 4.34Å
274	P	92.3	Very high	90.4	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.006	27%	0.265	C	S	.	.	H	α-helix	trans	-56.6	-34.4	-179.5	-29.5	36.9	0	0	0	115	L270 I272 T278 F301 M304 R305	L270-P274 WeakPolarHBondContact O-CD 3.39Å; I272-P274 VanDerWaalsContact C-CD 3.43Å; P274-T278 WeakPolarHBondContact O-CB 3.11Å; P274-T278 PolarHBondContact O-N 3.32Å; P274-T278 PolarHBondContact O-OG1 3.41Å; P274-F301 HydrophobicContact CB-CB 4.39Å; P274-F301 HydrophobicContact CB-CD1 4.43Å; P274-F301 WeakPolarHBondContact CB-O 3.39Å; P274-M304 HydrophobicContact CG-CB 4.03Å; P274-M304 HydrophobicContact CG-CE 4.29Å; P274-M304 HydrophobicContact CG-CG 3.8Å; P274-M304 HydrophobicContact CG-SD 3.94Å; P274-R305 HydrophobicContact CB-CG 3.88Å
275	Y	92.2	Very high	89.5	Confident	61 Å²	61	51.5 Å²	51.5	24%	0.239	26%	0.263	C	S	.	.	H	α-helix	trans	-68.8	-52.4	-179.4	-177.9	-97.5	0	0	0	111	E235 A236 I239 I272 L273 V277 T278 I279	E235-Y275 HydrophobicContact CG-CD2 4.29Å; E235-Y275 HydrophobicContact CG-CE2 4.46Å; A236-Y275 WeakPolarHBondContact CB-OH 3.43Å; I239-Y275 HydrophobicContact CB-CD1 4.41Å; I239-Y275 HydrophobicContact CB-CG 4.34Å; I239-Y275 HydrophobicContact CG1-CD2 4.14Å; I239-Y275 HydrophobicContact CG1-CG 4.04Å; I239-Y275 HydrophobicContact CG2-CD1 3.71Å; I239-Y275 HydrophobicContact CG2-CE1 4.31Å; I239-Y275 HydrophobicContact CG2-CG 3.92Å; I272-Y275 PolarHBondContact O-N 3.48Å; L273-Y275 VanDerWaalsContact C-N 3.26Å; L273-Y275 PolarHBondContact O-N 3.04Å; Y275-V277 PolarHBondContact O-N 3.22Å; Y275-T278 PolarHBondContact O-N 3.3Å; Y275-I279 HydrophobicContact CD1-CD1 3.86Å; Y275-I279 HydrophobicContact CE1-CD1 3.41Å; Y275-I279 VanDerWaalsContact CE1-CD1 3.41Å; Y275-I279 HydrophobicContact CE2-CD1 4.42Å; Y275-I279 PolarHBondContact O-N 3.41Å; Y275-I279 VanDerWaalsContact O-N 3.07Å
276	Y	93.5	Very high	88.2	Confident	112 Å²	112	58.9 Å²	58.9	44%	0.439	30%	0.295	S	S	.	.	H	α-helix	trans	-65.4	-38.2	179.8	-67.1	-82.6	0	0	0	112.7	I239 T243 I272 L273 I279 F280	I239-Y276 HydrophobicContact CG2-CE2 3.78Å; T243-Y276 HydrophobicContact CG2-CE2 3.46Å; T243-Y276 VanDerWaalsContact CG2-CE2 3.46Å; T243-Y276 VanDerWaalsContact CG2-OH 3.27Å; T243-Y276 WeakPolarHBondContact CG2-OH 3.49Å; I272-Y276 WeakPolarHBondContact O-CD2 3.36Å; L273-Y276 PolarHBondContact O-N 3.35Å; Y276-I279 PolarHBondContact O-N 3.42Å; Y276-F280 WeakPolarHBondContact O-CB 3.41Å; Y276-F280 PolarHBondContact O-N 3.41Å
277	V	91.6	Very high	86.7	Confident	39 Å²	39	59.1 Å²	59.1	24%	0.236	30%	0.299	C	S	.	.	H	α-helix	trans	-69.3	-36.4	176.3	177.2	0	0	0	0	111.5	L273 Y275 F280 L281 F301	L273-V277 HydrophobicContact CD2-CB 4.44Å; L273-V277 HydrophobicContact CD2-CG2 3.68Å; L273-V277 HydrophobicContact CG-CG2 3.92Å; L273-V277 WeakPolarHBondContact O-CG2 3.29Å; L273-V277 PolarHBondContact O-N 3.42Å; Y275-V277 PolarHBondContact O-N 3.22Å; V277-F280 PolarHBondContact O-N 3.28Å; V277-L281 HydrophobicContact CG1-CD1 3.74Å; V277-L281 HydrophobicContact CG1-CG 4.1Å; V277-L281 WeakPolarHBondContact O-CB 3.38Å; V277-L281 VanDerWaalsContact O-CG 3.25Å; V277-L281 WeakPolarHBondContact O-CG 3.38Å; V277-L281 PolarHBondContact O-N 2.89Å; V277-F301 HydrophobicContact CB-CD1 4.41Å; V277-F301 HydrophobicContact CB-CE1 4.34Å; V277-F301 HydrophobicContact CB-CZ 4.4Å; V277-F301 HydrophobicContact CG1-CD1 4.31Å; V277-F301 HydrophobicContact CG1-CD2 3.77Å; V277-F301 HydrophobicContact CG1-CE1 4.05Å; V277-F301 HydrophobicContact CG1-CE2 3.47Å; V277-F301 VanDerWaalsContact CG1-CE2 3.47Å; V277-F301 HydrophobicContact CG1-CG 4.2Å; V277-F301 HydrophobicContact CG1-CZ 3.63Å
278	T	87.6	Confident	85.1	Confident	19 Å²	19	63.4 Å²	63.4	12%	0.117	33%	0.327	C	S	.	.	H	α-helix	trans	-60.2	-47.5	172.3	-60.6	0	0	0	0	111.2	P274 Y275 T282 V298	P274-T278 WeakPolarHBondContact O-CB 3.11Å; P274-T278 PolarHBondContact O-N 3.32Å; P274-T278 PolarHBondContact O-OG1 3.41Å; Y275-T278 PolarHBondContact O-N 3.3Å; T278-T282 WeakPolarHBondContact O-CB 3.4Å; T278-T282 PolarHBondContact O-N 3.44Å; T278-T282 VanDerWaalsContact O-N 3.08Å; T278-T282 PolarHBondContact O-OG1 3.33Å; T278-V298 HydrophobicContact CG2-CG1 3.96Å
279	I	88.2	Confident	83.3	Confident	78 Å²	78	71 Å²	71	40%	0.4	37%	0.367	S	S	.	.	H	α-helix	trans	-62.3	-49	178.2	-67.8	171	0	0	0	110.9	Y275 Y276 L281 T282 E283	Y275-I279 HydrophobicContact CD1-CD1 3.86Å; Y275-I279 HydrophobicContact CE1-CD1 3.41Å; Y275-I279 VanDerWaalsContact CE1-CD1 3.41Å; Y275-I279 HydrophobicContact CE2-CD1 4.42Å; Y275-I279 PolarHBondContact O-N 3.41Å; Y275-I279 VanDerWaalsContact O-N 3.07Å; Y276-I279 PolarHBondContact O-N 3.42Å; I279-L281 PolarHBondContact O-N 3.45Å; I279-T282 PolarHBondContact O-N 3.31Å; I279-E283 PolarHBondContact O-N 3.42Å
280	F	88.2	Confident	81.7	Confident	146 Å²	146	72.9 Å²	72.9	64%	0.64	37%	0.374	S	S	*	.	H	α-helix	trans	-59.7	-43.6	-179.6	177.1	-97.8	0	0	0	112.7	Y276 V277 S284	Y276-F280 WeakPolarHBondContact O-CB 3.41Å; Y276-F280 PolarHBondContact O-N 3.41Å; V277-F280 PolarHBondContact O-N 3.28Å; F280-S284 WeakPolarHBondContact O-CB 3.39Å; F280-S284 PolarHBondContact O-N 3.39Å; F280-S284 VanDerWaalsContact O-N 3.12Å; F280-S284 PolarHBondContact O-OG 3.42Å
281	L	85.5	Confident	80.5	Confident	32 Å²	32	75.2 Å²	75.2	17%	0.168	38%	0.382	C	S	.	.	H	α-helix	trans	-66.5	-37.7	177.7	-73.2	174.5	0	0	0	112.4	V277 I279 S284 N285 V294 V297 V298 F301	V277-L281 HydrophobicContact CG1-CD1 3.74Å; V277-L281 HydrophobicContact CG1-CG 4.1Å; V277-L281 WeakPolarHBondContact O-CB 3.38Å; V277-L281 VanDerWaalsContact O-CG 3.25Å; V277-L281 WeakPolarHBondContact O-CG 3.38Å; V277-L281 PolarHBondContact O-N 2.89Å; I279-L281 PolarHBondContact O-N 3.45Å; L281-S284 PolarHBondContact O-OG 3.48Å; L281-N285 WeakPolarHBondContact O-CB 3.42Å; L281-N285 PolarHBondContact O-N 3.07Å; L281-N285 PolarHBondContact O-ND2 3.16Å; L281-V294 HydrophobicContact CB-CG1 4.12Å; L281-V297 HydrophobicContact CD1-CB 4.49Å; L281-V297 HydrophobicContact CD1-CG1 3.69Å; L281-V298 HydrophobicContact CB-CG2 4.24Å; L281-V298 HydrophobicContact CD1-CG2 4.23Å; L281-F301 HydrophobicContact CD1-CD2 4.18Å; L281-F301 HydrophobicContact CD1-CE2 4.21Å
282	T	79.1	Confident	79.4	Confident	79 Å²	79	81.6 Å²	81.6	49%	0.485	41%	0.411	S	S	.	.	H	α-helix	trans	-70.5	-45.2	178.8	-57.9	0	0	0	0	111.8	T278 I279 S284	T278-T282 WeakPolarHBondContact O-CB 3.4Å; T278-T282 PolarHBondContact O-N 3.44Å; T278-T282 VanDerWaalsContact O-N 3.08Å; T278-T282 PolarHBondContact O-OG1 3.33Å; I279-T282 PolarHBondContact O-N 3.31Å; T282-S284 PolarHBondContact O-N 3.1Å
283	E	83.1	Confident	78.5	Confident	114 Å²	114	85.3 Å²	85.3	53%	0.533	43%	0.431	S	S	.	.	H	α-helix	trans	-69.2	-32	179.5	-82.1	-59	139	0	0	113.8	I279 K286	I279-E283 PolarHBondContact O-N 3.42Å; E283-K286 WeakPolarHBondContact O-CE 3.22Å; E283-K286 WeakPolarHBondContact OE2-CE 3.36Å; E283-K286 IonicContact OE2-NZ 3.11Å; E283-K286 PolarHBondContact OE2-NZ 3.37Å
284	S	79.8	Confident	77.8	Confident	63 Å²	63	83.6 Å²	83.6	44%	0.441	42%	0.422	S	S	.	.	H	α-helix	trans	-78.8	-28.8	-179	52.3	0	0	0	0	113.8	F280 L281 T282 K286	F280-S284 WeakPolarHBondContact O-CB 3.39Å; F280-S284 PolarHBondContact O-N 3.39Å; F280-S284 VanDerWaalsContact O-N 3.12Å; F280-S284 PolarHBondContact O-OG 3.42Å; L281-S284 PolarHBondContact O-OG 3.48Å; T282-S284 PolarHBondContact O-N 3.1Å; S284-K286 PolarHBondContact O-N 3.03Å
285	N	70.4	Confident	77.1	Confident	39 Å²	39	88.4 Å²	88.4	21%	0.209	44%	0.44	C	S	.	.			trans	-101.8	57.1	-169.6	-70.5	-81.9	0	0	0	113.9	L281 S287 V294	L281-N285 WeakPolarHBondContact O-CB 3.42Å; L281-N285 PolarHBondContact O-N 3.07Å; L281-N285 PolarHBondContact O-ND2 3.16Å; N285-S287 PolarHBondContact O-N 3.32Å; N285-V294 HydrophobicContact CB-CG1 4.38Å; N285-V294 HydrophobicContact CB-CG2 3.92Å; N285-V294 VanDerWaalsContact CG-CG2 3.47Å
286	K	67.7	Low	76.6	Confident	167 Å²	167	92.7 Å²	92.7	73%	0.726	46%	0.456	S	S	*	.			trans	-72.8	20.7	178.3	-67.1	173.9	176.9	162.2	0	114.5	E283 S284	E283-K286 WeakPolarHBondContact O-CE 3.22Å; E283-K286 WeakPolarHBondContact OE2-CE 3.36Å; E283-K286 IonicContact OE2-NZ 3.11Å; E283-K286 PolarHBondContact OE2-NZ 3.37Å; S284-K286 PolarHBondContact O-N 3.03Å
287	S	61.4	Low	76.2	Confident	61 Å²	61	90.2 Å²	90.2	43%	0.427	45%	0.452	S	S	.	.	S	Bend	trans	-122.6	129.9	-179.2	69.5	0	0	0	0	112.2	N285 L289 Q290 F291	N285-S287 PolarHBondContact O-N 3.32Å; S287-L289 VanDerWaalsContact C-N 3.34Å; S287-L289 PolarHBondContact O-N 3.19Å; S287-Q290 PolarHBondContact O-N 3.33Å; S287-F291 PolarHBondContact O-N 3.49Å
288	V	60.4	Low	75.8	Confident	131 Å²	131	89.7 Å²	89.7	79%	0.794	45%	0.449	S	S	*	.	H	α-helix	trans	-59.5	-37.6	-165.3	-176.4	0	0	0	0	113.6	F291	V288-F291 VanDerWaalsContact O-CB 3.29Å; V288-F291 WeakPolarHBondContact O-CB 3.31Å; V288-F291 PolarHBondContact O-N 2.73Å
289	L	56.2	Low	75.6	Confident	162 Å²	162	93.3 Å²	93.3	85%	0.848	47%	0.465	S	S	*	.	H	α-helix	trans	-75.5	-29.4	-177.5	-72.6	172.5	0	0	0	113.9	S287 F291	S287-L289 VanDerWaalsContact C-N 3.34Å; S287-L289 PolarHBondContact O-N 3.19Å; L289-F291 VanDerWaalsContact C-N 3.29Å
290	Q	62.2	Low	75.6	Confident	98 Å²	98	94.6 Å²	94.6	46%	0.458	47%	0.471	S	S	.	.	H	α-helix	trans	-72.5	-27.3	173.9	-68.4	-64.5	-5.4	0	0	111.8	S287 Q292 N293 V294	S287-Q290 PolarHBondContact O-N 3.33Å; Q290-Q292 VanDerWaalsContact C-N 3.27Å; Q290-Q292 PolarHBondContact O-N 2.81Å; Q290-Q292 VanDerWaalsContact O-N 3.16Å; Q290-N293 PolarHBondContact O-N 3.07Å; Q290-N293 VanDerWaalsContact O-N 3.12Å; Q290-V294 HydrophobicContact CB-CG2 4.45Å; Q290-V294 VanDerWaalsContact O-CG2 3.3Å; Q290-V294 WeakPolarHBondContact O-CG2 3.42Å; Q290-V294 PolarHBondContact O-N 3.37Å
291	F	67.9	Low	75.7	Confident	108 Å²	108	89.6 Å²	89.6	47%	0.474	45%	0.45	S	S	.	.	H	α-helix	trans	-55.3	-36.4	-174.3	-159.2	-98.9	0	0	0	113.7	S287 V288 L289 R295	S287-F291 PolarHBondContact O-N 3.49Å; V288-F291 VanDerWaalsContact O-CB 3.29Å; V288-F291 WeakPolarHBondContact O-CB 3.31Å; V288-F291 PolarHBondContact O-N 2.73Å; L289-F291 VanDerWaalsContact C-N 3.29Å; F291-R295 WeakPolarHBondContact O-CB 3.42Å; F291-R295 PolarHBondContact O-N 3.18Å
292	Q	70.6	Confident	75.7	Confident	138 Å²	138	91.7 Å²	91.7	65%	0.645	46%	0.455	S	S	*	.	H	α-helix	trans	-59.8	-49.1	176.1	-84.4	-86.8	-3.9	0	0	113	Q290 R296	Q290-Q292 VanDerWaalsContact C-N 3.27Å; Q290-Q292 PolarHBondContact O-N 2.81Å; Q290-Q292 VanDerWaalsContact O-N 3.16Å; Q292-R296 PolarHBondContact O-N 2.78Å
293	N	76.3	Confident	76.1	Confident	90 Å²	90	93.8 Å²	93.8	48%	0.481	46%	0.462	S	S	.	.	H	α-helix	trans	-71.3	-41.6	179.7	-71.9	-36	0	0	0	111.1	Q290 R295 R296 V297	Q290-N293 PolarHBondContact O-N 3.07Å; Q290-N293 VanDerWaalsContact O-N 3.12Å; N293-R295 VanDerWaalsContact C-N 3.34Å; N293-R295 PolarHBondContact O-N 2.8Å; N293-R296 PolarHBondContact O-N 2.67Å; N293-V297 PolarHBondContact O-N 3.47Å
294	V	80.4	Confident	76.4	Confident	17 Å²	17	90.2 Å²	90.2	10%	0.103	45%	0.446	C	S	.	.	H	α-helix	trans	-61.5	-40.8	177	174.9	0	0	0	0	111.2	L281 N285 Q290 R296 V297 V298	L281-V294 HydrophobicContact CB-CG1 4.12Å; N285-V294 HydrophobicContact CB-CG1 4.38Å; N285-V294 HydrophobicContact CB-CG2 3.92Å; N285-V294 VanDerWaalsContact CG-CG2 3.47Å; Q290-V294 HydrophobicContact CB-CG2 4.45Å; Q290-V294 VanDerWaalsContact O-CG2 3.3Å; Q290-V294 WeakPolarHBondContact O-CG2 3.42Å; Q290-V294 PolarHBondContact O-N 3.37Å; V294-R296 VanDerWaalsContact C-N 3.3Å; V294-R296 PolarHBondContact O-N 3.3Å; V294-V297 PolarHBondContact O-N 2.95Å; V294-V297 VanDerWaalsContact O-N 3.08Å; V294-V298 HydrophobicContact CG1-CG2 4.14Å; V294-V298 WeakPolarHBondContact O-CG2 3.34Å; V294-V298 PolarHBondContact O-N 3.43Å
295	R	77.6	Confident	77	Confident	103 Å²	103	88 Å²	88	39%	0.389	43%	0.428	S	S	.	.	H	α-helix	trans	-58	-39.9	176.6	-171.7	175.9	-171.9	-121.9	-0.3	112.2	Q224 F291 N293 V298 Q299	Q224-R295 VanDerWaalsContact OE1-NE 3.07Å; F291-R295 WeakPolarHBondContact O-CB 3.42Å; F291-R295 PolarHBondContact O-N 3.18Å; N293-R295 VanDerWaalsContact C-N 3.34Å; N293-R295 PolarHBondContact O-N 2.8Å; R295-V298 PolarHBondContact O-N 2.83Å; R295-Q299 VanDerWaalsContact O-CG 3.3Å; R295-Q299 WeakPolarHBondContact O-CG 3.41Å; R295-Q299 PolarHBondContact O-N 3.41Å
296	R	81.6	Confident	78	Confident	151 Å²	151	91 Å²	91	57%	0.57	44%	0.443	S	S	*	.	H	α-helix	trans	-66.1	-39.6	175	-165.3	-173.3	-59.9	146.3	5.6	112.1	Q292 N293 V294 Q299 I300	Q292-R296 PolarHBondContact O-N 2.78Å; N293-R296 PolarHBondContact O-N 2.67Å; V294-R296 VanDerWaalsContact C-N 3.3Å; V294-R296 PolarHBondContact O-N 3.3Å; R296-Q299 WeakPolarHBondContact O-CB 3.35Å; R296-Q299 PolarHBondContact O-N 3.12Å; R296-I300 WeakPolarHBondContact O-CG1 3.27Å; R296-I300 PolarHBondContact O-N 3.06Å
297	V	85.2	Confident	79.1	Confident	59 Å²	59	85.7 Å²	85.7	36%	0.358	42%	0.422	S	S	.	.	H	α-helix	trans	-68.1	-42.3	175.9	177.3	0	0	0	0	111.1	L281 N293 V294 Q299 I300 F301	L281-V297 HydrophobicContact CD1-CB 4.49Å; L281-V297 HydrophobicContact CD1-CG1 3.69Å; N293-V297 PolarHBondContact O-N 3.47Å; V294-V297 PolarHBondContact O-N 2.95Å; V294-V297 VanDerWaalsContact O-N 3.08Å; V297-Q299 VanDerWaalsContact C-N 3.32Å; V297-Q299 PolarHBondContact O-N 2.85Å; V297-I300 WeakPolarHBondContact O-CB 3.33Å; V297-I300 PolarHBondContact O-N 3.28Å; V297-I300 VanDerWaalsContact O-N 3.14Å; V297-F301 HydrophobicContact CG1-CD2 3.88Å; V297-F301 HydrophobicContact CG1-CE2 3.63Å; V297-F301 VanDerWaalsContact O-CD2 3.29Å; V297-F301 WeakPolarHBondContact O-CD2 3.33Å; V297-F301 PolarHBondContact O-N 3.19Å
298	V	83.1	Confident	80.6	Confident	29 Å²	29	82.9 Å²	82.9	18%	0.176	40%	0.402	C	S	.	.	H	α-helix	trans	-62.4	-37	174.7	168.8	0	0	0	0	111.5	T278 L281 V294 R295 F301 R302	T278-V298 HydrophobicContact CG2-CG1 3.96Å; L281-V298 HydrophobicContact CB-CG2 4.24Å; L281-V298 HydrophobicContact CD1-CG2 4.23Å; V294-V298 HydrophobicContact CG1-CG2 4.14Å; V294-V298 WeakPolarHBondContact O-CG2 3.34Å; V294-V298 PolarHBondContact O-N 3.43Å; R295-V298 PolarHBondContact O-N 2.83Å; V298-F301 PolarHBondContact O-N 3.02Å; V298-R302 WeakPolarHBondContact O-CB 3.46Å; V298-R302 PolarHBondContact O-N 2.88Å
299	Q	83.7	Confident	82.2	Confident	95 Å²	95	80.5 Å²	80.5	44%	0.444	38%	0.384	S	S	.	.	H	α-helix	trans	-60.6	-43.3	171.6	-76.4	169	-27.3	0	0	112.2	R295 R296 V297 F301 R302 I303	R295-Q299 VanDerWaalsContact O-CG 3.3Å; R295-Q299 WeakPolarHBondContact O-CG 3.41Å; R295-Q299 PolarHBondContact O-N 3.41Å; R296-Q299 WeakPolarHBondContact O-CB 3.35Å; R296-Q299 PolarHBondContact O-N 3.12Å; V297-Q299 VanDerWaalsContact C-N 3.32Å; V297-Q299 PolarHBondContact O-N 2.85Å; Q299-F301 VanDerWaalsContact C-N 3.34Å; Q299-F301 PolarHBondContact O-N 3.43Å; Q299-R302 PolarHBondContact O-N 3.44Å; Q299-I303 WeakPolarHBondContact O-CG1 3.44Å; Q299-I303 PolarHBondContact O-N 3.24Å
300	I	88.1	Confident	83.9	Confident	104 Å²	104	76.4 Å²	76.4	53%	0.533	36%	0.363	S	S	.	.	H	α-helix	trans	-61	-43.6	175.5	-65.3	165.3	0	0	0	110.5	R296 V297 I303 M304	R296-I300 WeakPolarHBondContact O-CG1 3.27Å; R296-I300 PolarHBondContact O-N 3.06Å; V297-I300 WeakPolarHBondContact O-CB 3.33Å; V297-I300 PolarHBondContact O-N 3.28Å; V297-I300 VanDerWaalsContact O-N 3.14Å; I300-I303 PolarHBondContact O-N 2.88Å; I300-M304 WeakPolarHBondContact O-CB 3.28Å; I300-M304 PolarHBondContact O-N 3.32Å
301	F	88.8	Confident	85.4	Confident	42 Å²	42	71.9 Å²	71.9	18%	0.184	34%	0.342	C	S	.	.	H	α-helix	trans	-67	-36.5	174.6	-74.7	-68.5	0	0	0	113	L273 P274 V277 L281 V297 V298 Q299 I303 M304 R305	L273-F301 HydrophobicContact CD2-CD1 4.22Å; L273-F301 HydrophobicContact CD2-CE1 3.69Å; P274-F301 HydrophobicContact CB-CB 4.39Å; P274-F301 HydrophobicContact CB-CD1 4.43Å; P274-F301 WeakPolarHBondContact CB-O 3.39Å; V277-F301 HydrophobicContact CB-CD1 4.41Å; V277-F301 HydrophobicContact CB-CE1 4.34Å; V277-F301 HydrophobicContact CB-CZ 4.4Å; V277-F301 HydrophobicContact CG1-CD1 4.31Å; V277-F301 HydrophobicContact CG1-CD2 3.77Å; V277-F301 HydrophobicContact CG1-CE1 4.05Å; V277-F301 HydrophobicContact CG1-CE2 3.47Å; V277-F301 VanDerWaalsContact CG1-CE2 3.47Å; V277-F301 HydrophobicContact CG1-CG 4.2Å; V277-F301 HydrophobicContact CG1-CZ 3.63Å; L281-F301 HydrophobicContact CD1-CD2 4.18Å; L281-F301 HydrophobicContact CD1-CE2 4.21Å; V297-F301 HydrophobicContact CG1-CD2 3.88Å; V297-F301 HydrophobicContact CG1-CE2 3.63Å; V297-F301 VanDerWaalsContact O-CD2 3.29Å; V297-F301 WeakPolarHBondContact O-CD2 3.33Å; V297-F301 PolarHBondContact O-N 3.19Å; V298-F301 PolarHBondContact O-N 3.02Å; Q299-F301 VanDerWaalsContact C-N 3.34Å; Q299-F301 PolarHBondContact O-N 3.43Å; F301-I303 VanDerWaalsContact C-N 3.27Å; F301-I303 PolarHBondContact O-N 3.08Å; F301-M304 HydrophobicContact CD1-SD 3.65Å; F301-M304 HydrophobicContact CE1-SD 3.72Å; F301-M304 WeakPolarHBondContact O-CB 3.2Å; F301-M304 PolarHBondContact O-N 3.35Å; F301-M304 VanDerWaalsContact O-N 3.14Å; F301-R305 PolarHBondContact O-N 2.87Å
302	R	85.5	Confident	86.5	Confident	75 Å²	75	69.2 Å²	69.2	28%	0.283	33%	0.332	S	S	.	.	H	α-helix	trans	-62.6	-32.9	174.1	-164.6	173.9	-178.4	-141.8	-0.6	111.8	D227 V298 Q299 R305	D227-R302 IonicContact OD1-CZ 3.78Å; D227-R302 IonicContact OD1-NE 3.8Å; D227-R302 PolarHBondContact OD1-NE 3.08Å; D227-R302 IonicContact OD1-NH2 2.65Å; D227-R302 PolarHBondContact OD1-NH2 2.84Å; D227-R302 IonicContact OD2-NE 3.15Å; V298-R302 WeakPolarHBondContact O-CB 3.46Å; V298-R302 PolarHBondContact O-N 2.88Å; Q299-R302 PolarHBondContact O-N 3.44Å; R302-R305 WeakPolarHBondContact O-CB 3.44Å
303	I	87.8	Confident	87.4	Confident	124 Å²	124	63.1 Å²	63.1	64%	0.636	31%	0.305	S	S	*	.	H	α-helix	trans	-73.7	-44.6	169.8	-63.8	165.3	0	0	0	110.9	Q299 I300 F301 R305 I306	Q299-I303 WeakPolarHBondContact O-CG1 3.44Å; Q299-I303 PolarHBondContact O-N 3.24Å; I300-I303 PolarHBondContact O-N 2.88Å; F301-I303 VanDerWaalsContact C-N 3.27Å; F301-I303 PolarHBondContact O-N 3.08Å; I303-R305 PolarHBondContact O-N 3.36Å; I303-I306 WeakPolarHBondContact O-CB 3.45Å; I303-I306 VanDerWaalsContact O-CG2 3.25Å; I303-I306 WeakPolarHBondContact O-CG2 3.28Å; I303-I306 PolarHBondContact O-N 2.93Å
304	M	89.8	Confident	88	Confident	39 Å²	39	60 Å²	60	19%	0.192	29%	0.287	C	S	.	.	H	α-helix	trans	-56	-24.8	178.4	-171.1	-176.1	168.6	0	0	113.1	L270 L273 P274 I300 F301 I306 L307	L270-M304 HydrophobicContact CB-CE 4.17Å; L270-M304 HydrophobicContact CD2-CE 3.45Å; L270-M304 VanDerWaalsContact CD2-CE 3.45Å; L270-M304 HydrophobicContact CG-CE 4.38Å; L273-M304 HydrophobicContact CD2-CE 4.1Å; L273-M304 HydrophobicContact CD2-SD 4.34Å; P274-M304 HydrophobicContact CG-CB 4.03Å; P274-M304 HydrophobicContact CG-CE 4.29Å; P274-M304 HydrophobicContact CG-CG 3.8Å; P274-M304 HydrophobicContact CG-SD 3.94Å; I300-M304 WeakPolarHBondContact O-CB 3.28Å; I300-M304 PolarHBondContact O-N 3.32Å; F301-M304 HydrophobicContact CD1-SD 3.65Å; F301-M304 HydrophobicContact CE1-SD 3.72Å; F301-M304 WeakPolarHBondContact O-CB 3.2Å; F301-M304 PolarHBondContact O-N 3.35Å; F301-M304 VanDerWaalsContact O-N 3.14Å; M304-I306 PolarHBondContact O-N 2.74Å; M304-L307 HydrophobicContact CE-CD1 3.93Å; M304-L307 HydrophobicContact CG-CD1 3.63Å; M304-L307 HydrophobicContact CG-CG 4.25Å; M304-L307 WeakPolarHBondContact O-CB 3.45Å; M304-L307 WeakPolarHBondContact O-CG 3.35Å; M304-L307 PolarHBondContact O-N 3.42Å
305	R	91.4	Very high	88.3	Confident	16 Å²	16	61.3 Å²	61.3	6%	0.06	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-50.1	-21.8	168.4	-67.9	-177.2	-168.1	173.9	14.2	113.8	L208 D227 E235 P274 F301 R302 I303 L307 R308	L208-R305 HydrophobicContact CD1-CB 4.12Å; L208-R305 HydrophobicContact CD2-CB 4.34Å; D227-R305 IonicContact OD1-NH1 3.62Å; D227-R305 IonicContact OD2-CZ 3.83Å; D227-R305 IonicContact OD2-NH1 2.7Å; D227-R305 PolarHBondContact OD2-NH1 2.77Å; D227-R305 IonicContact OD2-NH2 3.41Å; D227-R305 PolarHBondContact OD2-NH2 2.82Å; E235-R305 IonicContact OE2-CZ 2.76Å; E235-R305 IonicContact OE2-NE 2.69Å; E235-R305 IonicContact OE2-NH1 3.98Å; E235-R305 PolarHBondContact OE2-NH1 3.05Å; P274-R305 HydrophobicContact CB-CG 3.88Å; F301-R305 PolarHBondContact O-N 2.87Å; R302-R305 WeakPolarHBondContact O-CB 3.44Å; I303-R305 PolarHBondContact O-N 3.36Å; R305-L307 VanDerWaalsContact C-N 3.28Å; R305-L307 PolarHBondContact O-N 2.98Å; R305-R308 WeakPolarHBondContact O-CG 3.49Å; R305-R308 PolarHBondContact O-N 2.97Å; R305-R308 PolarHBondContact O-NE 2.91Å
306	I	91.7	Very high	88.8	Confident	102 Å²	102	58.7 Å²	58.7	52%	0.523	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-65.3	-28.4	174.9	-158.5	171.4	0	0	0	112.9	L208 I303 M304 R308 I309	L208-I306 HydrophobicContact CD2-CB 4.21Å; L208-I306 HydrophobicContact CD2-CG1 4.44Å; I303-I306 WeakPolarHBondContact O-CB 3.45Å; I303-I306 VanDerWaalsContact O-CG2 3.25Å; I303-I306 WeakPolarHBondContact O-CG2 3.28Å; I303-I306 PolarHBondContact O-N 2.93Å; M304-I306 PolarHBondContact O-N 2.74Å; I306-R308 PolarHBondContact O-N 3.12Å; I306-I309 VanDerWaalsContact O-CG2 3.25Å; I306-I309 WeakPolarHBondContact O-CG2 3.12Å; I306-I309 PolarHBondContact O-N 2.91Å
307	L	91	Very high	88.8	Confident	55 Å²	55	54.2 Å²	54.2	29%	0.288	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-59.3	-17.9	179.8	-62	-179	0	0	0	113	L270 M304 R305 I309 L310	L270-L307 HydrophobicContact CB-CD1 4.31Å; M304-L307 HydrophobicContact CE-CD1 3.93Å; M304-L307 HydrophobicContact CG-CD1 3.63Å; M304-L307 HydrophobicContact CG-CG 4.25Å; M304-L307 WeakPolarHBondContact O-CB 3.45Å; M304-L307 WeakPolarHBondContact O-CG 3.35Å; M304-L307 PolarHBondContact O-N 3.42Å; R305-L307 VanDerWaalsContact C-N 3.28Å; R305-L307 PolarHBondContact O-N 2.98Å; L307-I309 PolarHBondContact O-N 3.19Å; L307-I309 VanDerWaalsContact O-N 3.13Å; L307-L310 HydrophobicContact CD2-CD1 3.83Å; L307-L310 VanDerWaalsContact O-CB 3.31Å; L307-L310 WeakPolarHBondContact O-CB 3.48Å; L307-L310 PolarHBondContact O-N 2.86Å
308	R	93.7	Very high	88.7	Confident	3 Å²	3	52.8 Å²	52.8	1%	0.011	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-55.8	-26.6	172.4	84.6	-179	88.5	-163.9	26	113.2	S204 T205 E235 A271 R305 I306 L310 K311	S204-R308 WeakPolarHBondContact OG-CD 3.39Å; T205-R308 HydrophobicContact CG2-CG 4.04Å; E235-R308 IonicContact OE1-CZ 3.37Å; E235-R308 IonicContact OE1-NH1 3.99Å; E235-R308 PolarHBondContact OE1-NH1 2.83Å; E235-R308 IonicContact OE1-NH2 2.88Å; E235-R308 PolarHBondContact OE1-NH2 3.4Å; A271-R308 HydrophobicContact CB-CB 4.04Å; R305-R308 WeakPolarHBondContact O-CG 3.49Å; R305-R308 PolarHBondContact O-N 2.97Å; R305-R308 PolarHBondContact O-NE 2.91Å; I306-R308 PolarHBondContact O-N 3.12Å; R308-L310 VanDerWaalsContact C-N 3.27Å; R308-L310 PolarHBondContact O-N 2.82Å; R308-K311 WeakPolarHBondContact O-CB 3.48Å; R308-K311 PolarHBondContact O-N 3.34Å
309	I	93.6	Very high	88.9	Confident	80 Å²	80	54.5 Å²	54.5	41%	0.41	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-65.2	-30.4	175.7	-158.5	169.4	0	0	0	112.4	T205 I306 L307 K311 L312	T205-I309 HydrophobicContact CG2-CB 4.05Å; T205-I309 HydrophobicContact CG2-CD1 4.45Å; T205-I309 HydrophobicContact CG2-CG1 4.13Å; I306-I309 VanDerWaalsContact O-CG2 3.25Å; I306-I309 WeakPolarHBondContact O-CG2 3.12Å; I306-I309 PolarHBondContact O-N 2.91Å; L307-I309 PolarHBondContact O-N 3.19Å; L307-I309 VanDerWaalsContact O-N 3.13Å; I309-K311 PolarHBondContact O-N 3.49Å; I309-K311 VanDerWaalsContact O-N 3.17Å; I309-L312 HydrophobicContact CG1-CD1 4.1Å; I309-L312 WeakPolarHBondContact O-CB 3.39Å; I309-L312 WeakPolarHBondContact O-CG 3.36Å; I309-L312 PolarHBondContact O-N 2.85Å; I309-L312 VanDerWaalsContact O-N 3.1Å
310	L	91.8	Very high	88.9	Confident	77 Å²	77	52.4 Å²	52.4	40%	0.403	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-66.4	-17.6	178.7	-58.3	178.6	0	0	0	112	I267 L307 R308 L312 A313	I267-L310 HydrophobicContact CG2-CB 3.79Å; L307-L310 HydrophobicContact CD2-CD1 3.83Å; L307-L310 VanDerWaalsContact O-CB 3.31Å; L307-L310 WeakPolarHBondContact O-CB 3.48Å; L307-L310 PolarHBondContact O-N 2.86Å; R308-L310 VanDerWaalsContact C-N 3.27Å; R308-L310 PolarHBondContact O-N 2.82Å; L310-L312 PolarHBondContact O-N 3.33Å; L310-A313 WeakPolarHBondContact O-CB 3.32Å; L310-A313 PolarHBondContact O-N 3.41Å
311	K	93.3	Very high	88.6	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.009	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-59.8	-23.5	172.8	-170.3	171.3	170.9	163.2	0	112.6	I201 F242 E245 D268 R308 I309 A313 R314	I201-K311 HydrophobicContact CD1-CB 3.93Å; I201-K311 HydrophobicContact CD1-CD 3.95Å; I201-K311 HydrophobicContact CD1-CG 3.67Å; I201-K311 HydrophobicContact CG1-CB 4.28Å; I201-K311 HydrophobicContact CG1-CD 4.07Å; I201-K311 HydrophobicContact CG1-CG 4.23Å; F242-K311 HydrophobicContact CD1-CD 4.37Å; F242-K311 HydrophobicContact CE1-CD 4.48Å; E245-K311 VanDerWaalsContact OE2-CE 3.27Å; E245-K311 WeakPolarHBondContact OE2-CE 3.34Å; E245-K311 IonicContact OE2-NZ 3.2Å; E245-K311 PolarHBondContact OE2-NZ 2.67Å; D268-K311 WeakPolarHBondContact OD1-CD 3.39Å; D268-K311 WeakPolarHBondContact OD1-CE 3.33Å; D268-K311 WeakPolarHBondContact OD1-CG 3.37Å; D268-K311 IonicContact OD1-NZ 2.82Å; D268-K311 PolarHBondContact OD1-NZ 2.77Å; R308-K311 WeakPolarHBondContact O-CB 3.48Å; R308-K311 PolarHBondContact O-N 3.34Å; I309-K311 PolarHBondContact O-N 3.49Å; I309-K311 VanDerWaalsContact O-N 3.17Å; K311-A313 PolarHBondContact O-N 3.18Å; K311-A313 VanDerWaalsContact O-N 3.1Å; K311-R314 WeakPolarHBondContact O-CB 3.18Å; K311-R314 PolarHBondContact O-N 3.39Å
312	L	91.4	Very high	88.5	Confident	53 Å²	53	49 Å²	49	28%	0.277	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-57	-22.2	169.5	-64.8	176.9	0	0	0	112.9	I198 I201 I309 L310 R314 H315 S316	I198-L312 HydrophobicContact CG2-CD2 4.41Å; I201-L312 HydrophobicContact CB-CD2 4.1Å; I201-L312 HydrophobicContact CD1-CD2 4.05Å; I201-L312 HydrophobicContact CG2-CD2 3.71Å; I201-L312 HydrophobicContact CG2-CG 3.82Å; I309-L312 HydrophobicContact CG1-CD1 4.1Å; I309-L312 WeakPolarHBondContact O-CB 3.39Å; I309-L312 WeakPolarHBondContact O-CG 3.36Å; I309-L312 PolarHBondContact O-N 2.85Å; I309-L312 VanDerWaalsContact O-N 3.1Å; L310-L312 PolarHBondContact O-N 3.33Å; L312-R314 PolarHBondContact O-N 3.42Å; L312-H315 CarbonylContact O-C 3.58Å; L312-H315 PolarHBondContact O-N 3.19Å; L312-S316 WeakPolarHBondContact O-CB 3.41Å; L312-S316 PolarHBondContact O-N 3.33Å
313	A	89.6	Confident	88.5	Confident	9 Å²	9	47.5 Å²	47.5	7%	0.074	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-58.8	-32.4	173.7	0	0	0	0	0	112.6	L264 L310 K311 H315 S316 L319 Q320	L264-A313 HydrophobicContact CD2-CB 4.17Å; L310-A313 WeakPolarHBondContact O-CB 3.32Å; L310-A313 PolarHBondContact O-N 3.41Å; K311-A313 PolarHBondContact O-N 3.18Å; K311-A313 VanDerWaalsContact O-N 3.1Å; A313-H315 PolarHBondContact O-N 3.38Å; A313-S316 PolarHBondContact O-N 2.85Å; A313-L319 HydrophobicContact CB-CB 4.44Å; A313-L319 HydrophobicContact CB-CD2 3.8Å; A313-L319 HydrophobicContact CB-CG 3.86Å; A313-Q320 WeakPolarHBondContact O-CG 3.45Å; A313-Q320 PolarHBondContact O-NE2 3.01Å
314	R	88.3	Confident	88.3	Confident	25 Å²	25	46 Å²	46	9%	0.094	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-62	-27.6	174.3	-179	172.5	-70.7	-71.4	7.3	112.6	E182 N265 D268 K311 L312 Q320	E182-R314 IonicContact OE1-CZ 3.18Å; E182-R314 IonicContact OE1-NH1 3.19Å; E182-R314 PolarHBondContact OE1-NH1 2.87Å; E182-R314 IonicContact OE2-CZ 2.67Å; E182-R314 IonicContact OE2-NH1 2.95Å; E182-R314 PolarHBondContact OE2-NH1 3.07Å; N265-R314 PolarHBondContact OD1-NH2 3.02Å; D268-R314 IonicContact OD2-CZ 2.83Å; D268-R314 VanDerWaalsContact OD2-CZ 3.23Å; D268-R314 IonicContact OD2-NE 3.09Å; D268-R314 PolarHBondContact OD2-NE 2.83Å; D268-R314 IonicContact OD2-NH2 2.64Å; D268-R314 PolarHBondContact OD2-NH2 3.29Å; K311-R314 WeakPolarHBondContact O-CB 3.18Å; K311-R314 PolarHBondContact O-N 3.39Å; L312-R314 PolarHBondContact O-N 3.42Å; R314-Q320 PolarHBondContact O-NE2 3.18Å
315	H	87.3	Confident	88.1	Confident	44 Å²	44	44.3 Å²	44.3	20%	0.204	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-8.1	-175.5	-58.8	-83	0	0	0	114	I198 L312 A313	I198-H315 HydrophobicContact CD1-CB 3.89Å; I198-H315 HydrophobicContact CG1-CB 3.91Å; L312-H315 CarbonylContact O-C 3.58Å; L312-H315 PolarHBondContact O-N 3.19Å; A313-H315 PolarHBondContact O-N 3.38Å
316	S	87.4	Confident	87.9	Confident	49 Å²	49	47 Å²	47	34%	0.343	26%	0.262	S	S	.	.			trans	-116.1	103.1	-178.3	178.1	0	0	0	0	111.7	L312 A313 G318 L319 Q320	L312-S316 WeakPolarHBondContact O-CB 3.41Å; L312-S316 PolarHBondContact O-N 3.33Å; A313-S316 PolarHBondContact O-N 2.85Å; S316-G318 PolarHBondContact O-N 2.59Å; S316-L319 PolarHBondContact O-N 3.18Å; S316-L319 PolarHBondContact OG-N 2.89Å; S316-Q320 PolarHBondContact O-N 3.34Å
317	T	82	Confident	87.6	Confident	57 Å²	57	51.6 Å²	51.6	35%	0.35	27%	0.273	S	S	.	.	H	α-helix	trans	-52.2	-38.6	172.4	-45.6	0	0	0	0	111.6	L319 Q320 S321 Q425	T317-L319 PolarHBondContact O-N 3.34Å; T317-Q320 PolarHBondContact O-N 3.29Å; T317-S321 WeakPolarHBondContact O-CB 3.43Å; T317-S321 PolarHBondContact O-N 3.37Å; T317-Q425 HydrophobicContact CG2-CG 4.21Å; T317-Q425 PolarHBondContact O-OE1 3.13Å
318	G	84	Confident	87.2	Confident	29 Å²	29	55.1 Å²	55.1	30%	0.299	28%	0.282	S	S	.	.	H	α-helix	trans	-64.8	-37.3	177.4	0	0	0	0	0	113.7	S316 S321 L322	S316-G318 PolarHBondContact O-N 2.59Å; G318-S321 WeakPolarHBondContact O-CB 3.15Å; G318-S321 PolarHBondContact O-N 3.26Å; G318-L322 WeakPolarHBondContact O-CB 3.27Å; G318-L322 PolarHBondContact O-N 2.77Å
319	L	86	Confident	86.9	Confident	65 Å²	65	55.1 Å²	55.1	34%	0.34	28%	0.283	S	S	.	.	H	α-helix	trans	-76.5	-30	177.5	-173.4	52.9	0	0	0	112	A313 S316 T317 L322 G323	A313-L319 HydrophobicContact CB-CB 4.44Å; A313-L319 HydrophobicContact CB-CD2 3.8Å; A313-L319 HydrophobicContact CB-CG 3.86Å; S316-L319 PolarHBondContact O-N 3.18Å; S316-L319 PolarHBondContact OG-N 2.89Å; T317-L319 PolarHBondContact O-N 3.34Å; L319-L322 HydrophobicContact CD1-CD2 4.01Å; L319-G323 PolarHBondContact O-N 3.43Å; L319-G323 VanDerWaalsContact O-N 3.09Å
320	Q	85	Confident	86.8	Confident	50 Å²	50	58.3 Å²	58.3	23%	0.234	29%	0.291	C	S	.	.	H	α-helix	trans	-65.2	-49.4	167.4	-62.7	175.6	17.1	0	0	110.9	A313 R314 S316 T317 L322 G323 F324	A313-Q320 WeakPolarHBondContact O-CG 3.45Å; A313-Q320 PolarHBondContact O-NE2 3.01Å; R314-Q320 PolarHBondContact O-NE2 3.18Å; S316-Q320 PolarHBondContact O-N 3.34Å; T317-Q320 PolarHBondContact O-N 3.29Å; Q320-L322 PolarHBondContact O-N 3.19Å; Q320-G323 PolarHBondContact O-N 3.28Å; Q320-G323 VanDerWaalsContact O-N 3.08Å; Q320-F324 HydrophobicContact CB-CD2 4.43Å; Q320-F324 HydrophobicContact CB-CE2 4.33Å; Q320-F324 WeakPolarHBondContact O-CD2 3.47Å; Q320-F324 PolarHBondContact O-N 2.86Å
321	S	81.3	Confident	86.8	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-52.2	-44	174.5	-173.9	0	0	0	0	111.4	T317 G318 T325	T317-S321 WeakPolarHBondContact O-CB 3.43Å; T317-S321 PolarHBondContact O-N 3.37Å; G318-S321 WeakPolarHBondContact O-CB 3.15Å; G318-S321 PolarHBondContact O-N 3.26Å; S321-T325 VanDerWaalsContact O-CB 3.28Å; S321-T325 WeakPolarHBondContact O-CB 3.3Å; S321-T325 PolarHBondContact O-N 3.36Å; S321-T325 PolarHBondContact O-OG1 3.2Å
322	L	86.8	Confident	86.7	Confident	76 Å²	76	61.7 Å²	61.7	40%	0.398	31%	0.308	S	S	.	.	H	α-helix	trans	-61.4	-49.5	175.8	-172.6	70	0	0	0	111.6	G318 L319 Q320 F324 T325 L326 F418	G318-L322 WeakPolarHBondContact O-CB 3.27Å; G318-L322 PolarHBondContact O-N 2.77Å; L319-L322 HydrophobicContact CD1-CD2 4.01Å; Q320-L322 PolarHBondContact O-N 3.19Å; L322-F324 PolarHBondContact O-N 2.79Å; L322-T325 PolarHBondContact O-N 2.82Å; L322-L326 HydrophobicContact CG-CD1 4.03Å; L322-L326 HydrophobicContact CG-CG 4.48Å; L322-L326 WeakPolarHBondContact O-CB 3.42Å; L322-L326 VanDerWaalsContact O-CG 3.29Å; L322-L326 WeakPolarHBondContact O-CG 2.99Å; L322-L326 PolarHBondContact O-N 2.89Å; L322-F418 HydrophobicContact CB-CE2 4.21Å; L322-F418 HydrophobicContact CD1-CD2 4.39Å; L322-F418 HydrophobicContact CD1-CE2 4.34Å
323	G	86.2	Confident	86.7	Confident	42 Å²	42	61.9 Å²	61.9	43%	0.433	31%	0.309	S	S	.	.	H	α-helix	trans	-60.8	-42.3	179	0	0	0	0	0	113.8	L319 Q320 R327	L319-G323 PolarHBondContact O-N 3.43Å; L319-G323 VanDerWaalsContact O-N 3.09Å; Q320-G323 PolarHBondContact O-N 3.28Å; Q320-G323 VanDerWaalsContact O-N 3.08Å; G323-R327 PolarHBondContact O-N 3.47Å; G323-R327 VanDerWaalsContact O-N 3.15Å
324	F	82.6	Confident	86.8	Confident	94 Å²	94	63.2 Å²	63.2	41%	0.412	32%	0.323	S	S	.	.	H	α-helix	trans	-69.1	-37.8	174.6	-71.2	-64.6	0	0	0	112.4	Q320 L322 R327 R328 F421	Q320-F324 HydrophobicContact CB-CD2 4.43Å; Q320-F324 HydrophobicContact CB-CE2 4.33Å; Q320-F324 WeakPolarHBondContact O-CD2 3.47Å; Q320-F324 PolarHBondContact O-N 2.86Å; L322-F324 PolarHBondContact O-N 2.79Å; F324-R327 PolarHBondContact O-N 3.29Å; F324-R328 PolarHBondContact O-N 3.48Å; F324-F421 HydrophobicContact CB-CD1 4.18Å; F324-F421 HydrophobicContact CB-CE1 3.56Å; F324-F421 HydrophobicContact CB-CE2 3.93Å; F324-F421 HydrophobicContact CB-CZ 3.41Å; F324-F421 VanDerWaalsContact CB-CZ 3.41Å; F324-F421 AromaticContact CD2-CE1 3.89Å; F324-F421 HydrophobicContact CD2-CE1 3.89Å; F324-F421 AromaticContact CD2-CZ 3.81Å; F324-F421 HydrophobicContact CD2-CZ 3.81Å; F324-F421 HydrophobicContact CG-CE1 4.04Å; F324-F421 HydrophobicContact CG-CE2 4.48Å; F324-F421 AromaticContact CG-CZ 3.7Å; F324-F421 HydrophobicContact CG-CZ 3.7Å
325	T	85.8	Confident	87	Confident	3 Å²	3	65.5 Å²	65.5	2%	0.018	34%	0.337	C	S	.	.	H	α-helix	trans	-64	-46.3	175.2	-56.8	0	0	0	0	111.3	S321 L322 R327 R328 S329 N417 F418	S321-T325 VanDerWaalsContact O-CB 3.28Å; S321-T325 WeakPolarHBondContact O-CB 3.3Å; S321-T325 PolarHBondContact O-N 3.36Å; S321-T325 PolarHBondContact O-OG1 3.2Å; L322-T325 PolarHBondContact O-N 2.82Å; T325-R327 PolarHBondContact O-N 3.18Å; T325-R328 PolarHBondContact O-N 2.86Å; T325-S329 WeakPolarHBondContact O-CB 3.36Å; T325-S329 PolarHBondContact O-N 2.9Å; T325-S329 PolarHBondContact O-OG 2.73Å; T325-N417 HydrophobicContact CG2-CB 4.16Å; T325-F418 HydrophobicContact CG2-CB 3.9Å; T325-F418 HydrophobicContact CG2-CD2 4.43Å
326	L	87	Confident	87.2	Confident	73 Å²	73	64.6 Å²	64.6	38%	0.382	33%	0.333	S	S	.	.	H	α-helix	trans	-59.8	-35.6	176.4	-70.2	168.1	0	0	0	111.7	L322 Y330 L333	L322-L326 HydrophobicContact CG-CD1 4.03Å; L322-L326 HydrophobicContact CG-CG 4.48Å; L322-L326 WeakPolarHBondContact O-CB 3.42Å; L322-L326 VanDerWaalsContact O-CG 3.29Å; L322-L326 WeakPolarHBondContact O-CG 2.99Å; L322-L326 PolarHBondContact O-N 2.89Å; L326-Y330 PolarHBondContact O-N 3.25Å; L326-L333 HydrophobicContact CD2-CD2 3.94Å
327	R	85.3	Confident	87.6	Confident	198 Å²	198	67.2 Å²	67.2	75%	0.747	34%	0.342	S	S	*	.	H	α-helix	trans	-69.7	-32.6	173.5	-174.2	177.1	177.1	-164.7	-3.3	113.4	G323 F324 T325 Y330	G323-R327 PolarHBondContact O-N 3.47Å; G323-R327 VanDerWaalsContact O-N 3.15Å; F324-R327 PolarHBondContact O-N 3.29Å; T325-R327 PolarHBondContact O-N 3.18Å; R327-Y330 WeakPolarHBondContact O-CD1 3.49Å
328	R	83.4	Confident	88.2	Confident	128 Å²	128	69.8 Å²	69.8	48%	0.483	35%	0.353	S	S	.	.	H	α-helix	trans	-79.4	-41.9	176.9	-176.1	169.8	169.6	-169.8	-11.3	112.1	F324 T325 Y330 E420	F324-R328 PolarHBondContact O-N 3.48Å; T325-R328 PolarHBondContact O-N 2.86Å; R328-Y330 VanDerWaalsContact C-N 3.27Å; R328-Y330 PolarHBondContact O-N 3.39Å; R328-E420 IonicContact CZ-OE1 2.74Å; R328-E420 IonicContact CZ-OE2 3.32Å; R328-E420 IonicContact NH1-OE1 2.6Å; R328-E420 PolarHBondContact NH1-OE1 3.35Å; R328-E420 IonicContact NH1-OE2 3.78Å; R328-E420 VanDerWaalsContact NH2-CD 3.32Å; R328-E420 IonicContact NH2-OE1 3.71Å; R328-E420 PolarHBondContact NH2-OE1 3.16Å; R328-E420 IonicContact NH2-OE2 2.74Å; R328-E420 PolarHBondContact NH2-OE2 3.29Å
329	S	88.1	Confident	88.7	Confident	4 Å²	4	72.4 Å²	72.4	3%	0.028	36%	0.357	C	S	.	.	S	Bend	trans	-87.6	22.3	179.9	-53.1	0	0	0	0	113.6	T325 N331 E332 L333 N417	T325-S329 WeakPolarHBondContact O-CB 3.36Å; T325-S329 PolarHBondContact O-N 2.9Å; T325-S329 PolarHBondContact O-OG 2.73Å; S329-N331 VanDerWaalsContact C-N 3.27Å; S329-N331 PolarHBondContact O-N 2.86Å; S329-E332 PolarHBondContact O-N 2.84Å; S329-L333 WeakPolarHBondContact O-CB 3.32Å; S329-L333 PolarHBondContact O-N 2.89Å; S329-N417 WeakPolarHBondContact OG-CB 3.41Å; S329-N417 PolarHBondContact OG-ND2 2.78Å
330	Y	91.1	Very high	89.2	Confident	146 Å²	146	71.1 Å²	71.1	57%	0.573	35%	0.35	S	S	*	.	H	α-helix	trans	-64.4	-30.8	-173.2	81	-82	0	0	0	113	L326 R327 R328 G334	L326-Y330 PolarHBondContact O-N 3.25Å; R327-Y330 WeakPolarHBondContact O-CD1 3.49Å; R328-Y330 VanDerWaalsContact C-N 3.27Å; R328-Y330 PolarHBondContact O-N 3.39Å; Y330-G334 PolarHBondContact O-N 2.9Å
331	N	90.4	Very high	89.8	Confident	93 Å²	93	71.1 Å²	71.1	50%	0.497	36%	0.358	S	S	.	.	H	α-helix	trans	-64.4	-50.6	172.9	-72.8	-27.7	0	0	0	111.3	S329 L333 G334 L335	S329-N331 VanDerWaalsContact C-N 3.27Å; S329-N331 PolarHBondContact O-N 2.86Å; N331-L333 VanDerWaalsContact C-N 3.33Å; N331-L333 PolarHBondContact O-N 2.8Å; N331-G334 PolarHBondContact O-N 3Å; N331-L335 WeakPolarHBondContact O-CB 3.12Å; N331-L335 PolarHBondContact O-N 2.96Å
332	E	91.6	Very high	90.5	Very high	58 Å²	58	76 Å²	76	27%	0.271	38%	0.382	S	S	.	.	H	α-helix	trans	-61.2	-41.7	178.8	-47.6	-49.2	131.6	0	0	112	S329 L335 L336 I413 I414	S329-E332 PolarHBondContact O-N 2.84Å; E332-L335 PolarHBondContact O-N 2.81Å; E332-L336 WeakPolarHBondContact O-CB 3.32Å; E332-L336 PolarHBondContact O-N 3.32Å; E332-I413 HydrophobicContact CG-CG2 3.91Å; E332-I414 HydrophobicContact CB-CG1 4.14Å
333	L	90.9	Very high	91	Very high	57 Å²	57	72.7 Å²	72.7	30%	0.298	37%	0.367	S	S	.	.	H	α-helix	trans	-67.9	-40	176.5	-175.3	65.3	0	0	0	111.7	L326 S329 N331 L336 I337	L326-L333 HydrophobicContact CD2-CD2 3.94Å; S329-L333 WeakPolarHBondContact O-CB 3.32Å; S329-L333 PolarHBondContact O-N 2.89Å; N331-L333 VanDerWaalsContact C-N 3.33Å; N331-L333 PolarHBondContact O-N 2.8Å; L333-L336 PolarHBondContact O-N 3.22Å; L333-I337 HydrophobicContact CD1-CD1 4.44Å; L333-I337 HydrophobicContact CG-CD1 4.1Å; L333-I337 VanDerWaalsContact O-CG1 3.27Å; L333-I337 WeakPolarHBondContact O-CG1 3.44Å; L333-I337 PolarHBondContact O-N 3.09Å
334	G	92.3	Very high	91.6	Very high	37 Å²	37	71.6 Å²	71.6	38%	0.381	35%	0.351	S	S	.	.	H	α-helix	trans	-63.1	-40.6	174	0	0	0	0	0	112.3	Y330 N331 I337 L338	Y330-G334 PolarHBondContact O-N 2.9Å; N331-G334 PolarHBondContact O-N 3Å; G334-I337 PolarHBondContact O-N 3.26Å; G334-L338 VanDerWaalsContact O-CB 3.3Å; G334-L338 WeakPolarHBondContact O-CB 3.38Å; G334-L338 PolarHBondContact O-N 3.46Å
335	L	92.1	Very high	92.3	Very high	72 Å²	72	72.5 Å²	72.5	38%	0.377	36%	0.358	S	S	.	.	H	α-helix	trans	-65.5	-43.3	176	-173.9	63	0	0	0	111.9	N331 E332 L338 F339	N331-L335 WeakPolarHBondContact O-CB 3.12Å; N331-L335 PolarHBondContact O-N 2.96Å; E332-L335 PolarHBondContact O-N 2.81Å; L335-L338 PolarHBondContact O-N 2.85Å; L335-F339 HydrophobicContact CD1-CD2 4.16Å; L335-F339 HydrophobicContact CD1-CE1 4.17Å; L335-F339 HydrophobicContact CD1-CE2 3.57Å; L335-F339 HydrophobicContact CD1-CZ 3.58Å; L335-F339 HydrophobicContact CD2-CE2 4.01Å; L335-F339 HydrophobicContact CG-CD2 3.98Å; L335-F339 HydrophobicContact CG-CE2 3.55Å; L335-F339 HydrophobicContact CG-CZ 4.1Å; L335-F339 WeakPolarHBondContact O-CD2 3.42Å; L335-F339 PolarHBondContact O-N 3.14Å
336	L	92.9	Very high	92.9	Very high	26 Å²	26	76.4 Å²	76.4	14%	0.136	38%	0.378	C	S	.	.	H	α-helix	trans	-58.4	-47.8	172.7	175.3	58.8	0	0	0	111.6	E332 L333 L338 F339 L340 V406 I407 P410	E332-L336 WeakPolarHBondContact O-CB 3.32Å; E332-L336 PolarHBondContact O-N 3.32Å; L333-L336 PolarHBondContact O-N 3.22Å; L336-L338 VanDerWaalsContact C-N 3.34Å; L336-L338 PolarHBondContact O-N 3.17Å; L336-F339 PolarHBondContact O-N 2.99Å; L336-L340 VanDerWaalsContact O-CB 3.3Å; L336-L340 WeakPolarHBondContact O-CB 3.46Å; L336-L340 PolarHBondContact O-N 2.79Å; L336-V406 HydrophobicContact CD1-CG1 4.33Å; L336-V406 WeakPolarHBondContact CD1-O 3.33Å; L336-I407 HydrophobicContact CD1-CG1 4.46Å; L336-P410 HydrophobicContact CB-CB 4.1Å; L336-P410 HydrophobicContact CB-CG 3.97Å; L336-P410 HydrophobicContact CD1-CG 4.01Å; L336-P410 HydrophobicContact CG-CG 4.45Å
337	I	94.2	Very high	93.4	Very high	103 Å²	103	74.1 Å²	74.1	53%	0.528	37%	0.365	S	S	.	.	H	α-helix	trans	-64.1	-39.8	178.4	-69.1	166.1	0	0	0	111	L333 G334 L340 A341	L333-I337 HydrophobicContact CD1-CD1 4.44Å; L333-I337 HydrophobicContact CG-CD1 4.1Å; L333-I337 VanDerWaalsContact O-CG1 3.27Å; L333-I337 WeakPolarHBondContact O-CG1 3.44Å; L333-I337 PolarHBondContact O-N 3.09Å; G334-I337 PolarHBondContact O-N 3.26Å; I337-L340 PolarHBondContact O-N 3.39Å; I337-A341 VanDerWaalsContact O-CB 3.27Å; I337-A341 WeakPolarHBondContact O-CB 3.35Å; I337-A341 PolarHBondContact O-N 3.22Å
338	L	95	Very high	94	Very high	112 Å²	112	64.7 Å²	64.7	59%	0.586	33%	0.329	S	S	*	.	H	α-helix	trans	-63.2	-48.8	177.6	-178.4	65.9	0	0	0	111.9	G334 L335 L336 A341 M342	G334-L338 VanDerWaalsContact O-CB 3.3Å; G334-L338 WeakPolarHBondContact O-CB 3.38Å; G334-L338 PolarHBondContact O-N 3.46Å; L335-L338 PolarHBondContact O-N 2.85Å; L336-L338 VanDerWaalsContact C-N 3.34Å; L336-L338 PolarHBondContact O-N 3.17Å; L338-A341 PolarHBondContact O-N 2.96Å; L338-M342 WeakPolarHBondContact O-CB 3.37Å; L338-M342 PolarHBondContact O-N 2.99Å
339	F	95.4	Very high	94.7	Very high	83 Å²	83	60.4 Å²	60.4	36%	0.364	32%	0.319	S	S	.	.	H	α-helix	trans	-66.4	-38	177.4	-69.7	-35.9	0	0	0	112.5	L335 L336 M342 G343 V406	L335-F339 HydrophobicContact CD1-CD2 4.16Å; L335-F339 HydrophobicContact CD1-CE1 4.17Å; L335-F339 HydrophobicContact CD1-CE2 3.57Å; L335-F339 HydrophobicContact CD1-CZ 3.58Å; L335-F339 HydrophobicContact CD2-CE2 4.01Å; L335-F339 HydrophobicContact CG-CD2 3.98Å; L335-F339 HydrophobicContact CG-CE2 3.55Å; L335-F339 HydrophobicContact CG-CZ 4.1Å; L335-F339 WeakPolarHBondContact O-CD2 3.42Å; L335-F339 PolarHBondContact O-N 3.14Å; L336-F339 PolarHBondContact O-N 2.99Å; F339-M342 HydrophobicContact CD1-CE 4.18Å; F339-G343 PolarHBondContact O-N 3.4Å; F339-V406 HydrophobicContact CB-CG1 3.67Å; F339-V406 HydrophobicContact CB-CG2 4.38Å
340	L	95.6	Very high	95.2	Very high	39 Å²	39	64.4 Å²	64.4	20%	0.204	34%	0.34	C	S	.	.	H	α-helix	trans	-64.4	-46.3	175.1	-168.4	107.7	0	0	0	111.2	L336 I337 G343 I344 T378 I407	L336-L340 VanDerWaalsContact O-CB 3.3Å; L336-L340 WeakPolarHBondContact O-CB 3.46Å; L336-L340 PolarHBondContact O-N 2.79Å; I337-L340 PolarHBondContact O-N 3.39Å; L340-G343 PolarHBondContact O-N 3.43Å; L340-I344 HydrophobicContact CD2-CD1 3.72Å; L340-I344 HydrophobicContact CG-CD1 3.95Å; L340-I344 WeakPolarHBondContact O-CB 3.37Å; L340-I344 WeakPolarHBondContact O-CD1 3.13Å; L340-I344 VanDerWaalsContact O-CG1 3.26Å; L340-I344 WeakPolarHBondContact O-CG1 3.16Å; L340-I344 PolarHBondContact O-N 3.07Å; L340-T378 HydrophobicContact CD1-CG2 4.23Å; L340-I407 HydrophobicContact CD1-CD1 4.22Å; L340-I407 HydrophobicContact CD1-CG1 4.27Å
341	A	97.2	Very high	95.5	Very high	49 Å²	49	57.5 Å²	57.5	41%	0.405	31%	0.312	S	S	.	.	H	α-helix	trans	-63.3	-41.9	177.6	0	0	0	0	0	112.4	I337 L338 M345	I337-A341 VanDerWaalsContact O-CB 3.27Å; I337-A341 WeakPolarHBondContact O-CB 3.35Å; I337-A341 PolarHBondContact O-N 3.22Å; L338-A341 PolarHBondContact O-N 2.96Å; A341-M345 VanDerWaalsContact O-CG 3.28Å; A341-M345 WeakPolarHBondContact O-CG 3.38Å; A341-M345 PolarHBondContact O-N 3.29Å
342	M	97.1	Very high	95.8	Very high	102 Å²	102	55 Å²	55	50%	0.502	30%	0.297	S	S	.	.	H	α-helix	trans	-62.6	-45.8	174.3	-175.3	-177.6	73.2	0	0	111.5	L338 F339 M345 I346	L338-M342 WeakPolarHBondContact O-CB 3.37Å; L338-M342 PolarHBondContact O-N 2.99Å; F339-M342 HydrophobicContact CD1-CE 4.18Å; M342-M345 PolarHBondContact O-N 2.94Å; M342-I346 HydrophobicContact CG-CD1 3.85Å; M342-I346 VanDerWaalsContact O-CG1 3.32Å; M342-I346 WeakPolarHBondContact O-CG1 3.34Å; M342-I346 PolarHBondContact O-N 3.48Å
343	G	96.9	Very high	96	Very high	8 Å²	8	58.2 Å²	58.2	8%	0.082	31%	0.31	C	S	.	.	H	α-helix	trans	-61.1	-45.9	177	0	0	0	0	0	112.5	F339 L340 M345 I346 F347	F339-G343 PolarHBondContact O-N 3.4Å; L340-G343 PolarHBondContact O-N 3.43Å; G343-M345 PolarHBondContact O-N 3.15Å; G343-I346 PolarHBondContact O-N 2.75Å; G343-F347 WeakPolarHBondContact O-CD2 3.29Å; G343-F347 PolarHBondContact O-N 2.83Å
344	I	97.9	Very high	96.3	Very high	19 Å²	19	56.1 Å²	56.1	10%	0.097	30%	0.302	C	S	.	.	H	α-helix	trans	-56.3	-51.7	174.6	-71.6	160.6	0	0	0	110	L340 I346 S348 F370 A373 T374 M377	L340-I344 HydrophobicContact CD2-CD1 3.72Å; L340-I344 HydrophobicContact CG-CD1 3.95Å; L340-I344 WeakPolarHBondContact O-CB 3.37Å; L340-I344 WeakPolarHBondContact O-CD1 3.13Å; L340-I344 VanDerWaalsContact O-CG1 3.26Å; L340-I344 WeakPolarHBondContact O-CG1 3.16Å; L340-I344 PolarHBondContact O-N 3.07Å; I344-I346 VanDerWaalsContact C-N 3.31Å; I344-I346 PolarHBondContact O-N 3.19Å; I344-S348 WeakPolarHBondContact O-CB 3.45Å; I344-S348 PolarHBondContact O-N 3.37Å; I344-S348 PolarHBondContact O-OG 3.22Å; I344-F370 HydrophobicContact CG2-CB 3.9Å; I344-F370 HydrophobicContact CG2-CD1 3.71Å; I344-F370 HydrophobicContact CG2-CE1 4.49Å; I344-F370 HydrophobicContact CG2-CG 3.96Å; I344-A373 HydrophobicContact CG1-CB 4.47Å; I344-A373 HydrophobicContact CG2-CB 4.36Å; I344-T374 HydrophobicContact CD1-CG2 4.29Å; I344-T374 WeakPolarHBondContact CD1-OG1 3.27Å; I344-M377 HydrophobicContact CG1-SD 4.07Å; I344-M377 PolarHBondContact N-SD 3.37Å
345	M	98	Very high	96.4	Very high	113 Å²	113	54.4 Å²	54.4	56%	0.557	28%	0.284	S	S	*	.	H	α-helix	trans	-57.8	-41.6	179.2	-70.2	-118.9	-67.1	0	0	113	A341 M342 G343 S349 F370	A341-M345 VanDerWaalsContact O-CG 3.28Å; A341-M345 WeakPolarHBondContact O-CG 3.38Å; A341-M345 PolarHBondContact O-N 3.29Å; M342-M345 PolarHBondContact O-N 2.94Å; G343-M345 PolarHBondContact O-N 3.15Å; M345-S349 WeakPolarHBondContact O-CB 3.46Å; M345-S349 PolarHBondContact O-N 3.17Å; M345-S349 PolarHBondContact O-OG 2.9Å; M345-F370 HydrophobicContact CG-CE1 4.32Å; M345-F370 HydrophobicContact CG-CZ 4.39Å; M345-F370 HydrophobicContact SD-CZ 4.11Å
346	I	98.2	Very high	96.4	Very high	84 Å²	84	55.3 Å²	55.3	43%	0.431	29%	0.285	S	S	.	.	H	α-helix	trans	-69.5	-57.1	179.4	-68.2	167.7	0	0	0	111	M342 G343 I344 S348 S349 L350	M342-I346 HydrophobicContact CG-CD1 3.85Å; M342-I346 VanDerWaalsContact O-CG1 3.32Å; M342-I346 WeakPolarHBondContact O-CG1 3.34Å; M342-I346 PolarHBondContact O-N 3.48Å; G343-I346 PolarHBondContact O-N 2.75Å; I344-I346 VanDerWaalsContact C-N 3.31Å; I344-I346 PolarHBondContact O-N 3.19Å; I346-S348 PolarHBondContact O-N 2.96Å; I346-S349 WeakPolarHBondContact O-CB 3.46Å; I346-S349 PolarHBondContact O-N 2.63Å; I346-S349 VanDerWaalsContact O-N 3.13Å; I346-L350 HydrophobicContact CG2-CD1 3.82Å; I346-L350 HydrophobicContact CG2-CG 4.4Å; I346-L350 WeakPolarHBondContact O-CG 3.44Å; I346-L350 PolarHBondContact O-N 2.52Å
347	F	98.1	Very high	96.3	Very high	26 Å²	26	60.1 Å²	60.1	11%	0.114	31%	0.311	C	S	.	.	H	α-helix	trans	-68.3	-33.6	-174.4	-70.8	-64.4	0	0	0	112.9	G343 S349 L350 V351 A373 M377 V395 L398 C399 A402	G343-F347 WeakPolarHBondContact O-CD2 3.29Å; G343-F347 PolarHBondContact O-N 2.83Å; F347-S349 VanDerWaalsContact C-N 3.33Å; F347-L350 HydrophobicContact CD1-CD1 4.29Å; F347-L350 PolarHBondContact O-N 2.78Å; F347-V351 WeakPolarHBondContact O-CB 3.42Å; F347-V351 WeakPolarHBondContact O-CG1 3.43Å; F347-V351 PolarHBondContact O-N 2.83Å; F347-A373 HydrophobicContact CB-CB 4.3Å; F347-M377 HydrophobicContact CD2-SD 4.12Å; F347-V395 HydrophobicContact CD1-CG1 4.2Å; F347-L398 HydrophobicContact CE1-CB 4.07Å; F347-C399 HydrophobicContact CB-CB 4.13Å; F347-C399 HydrophobicContact CD1-CB 3.72Å; F347-C399 HydrophobicContact CD2-CB 4.15Å; F347-C399 HydrophobicContact CE1-CB 4.15Å; F347-C399 HydrophobicContact CG-CB 3.74Å; F347-A402 HydrophobicContact CE2-CB 3.57Å; F347-A402 HydrophobicContact CZ-CB 3.58Å
348	S	97.9	Very high	96.2	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-65.8	-34.2	171.5	-64.7	0	0	0	0	113.1	I344 I346 F352 S369 F370 A373	I344-S348 WeakPolarHBondContact O-CB 3.45Å; I344-S348 PolarHBondContact O-N 3.37Å; I344-S348 PolarHBondContact O-OG 3.22Å; I346-S348 PolarHBondContact O-N 2.96Å; S348-F352 WeakPolarHBondContact O-CB 3.27Å; S348-F352 PolarHBondContact O-N 2.98Å; S348-S369 PolarHBondContact OG-O 2.91Å; S348-F370 VanDerWaalsContact OG-CA 3.28Å; S348-F370 WeakPolarHBondContact OG-CA 3.33Å; S348-F370 PolarHBondContact OG-N 2.72Å; S348-A373 WeakPolarHBondContact OG-CB 3.49Å
349	S	97.9	Very high	95.5	Very high	38 Å²	38	62 Å²	62	27%	0.266	31%	0.314	S	S	.	.	H	α-helix	trans	-71.1	-46	174.3	-58.8	0	0	0	0	110.9	M345 I346 F347 F352 F353	M345-S349 WeakPolarHBondContact O-CB 3.46Å; M345-S349 PolarHBondContact O-N 3.17Å; M345-S349 PolarHBondContact O-OG 2.9Å; I346-S349 WeakPolarHBondContact O-CB 3.46Å; I346-S349 PolarHBondContact O-N 2.63Å; I346-S349 VanDerWaalsContact O-N 3.13Å; F347-S349 VanDerWaalsContact C-N 3.33Å; S349-F352 PolarHBondContact O-N 3.25Å; S349-F353 WeakPolarHBondContact O-CD2 3.2Å; S349-F353 PolarHBondContact O-N 3Å
350	L	97.8	Very high	95	Very high	88 Å²	88	64.1 Å²	64.1	46%	0.461	33%	0.329	S	S	.	.	H	α-helix	trans	-62.5	-45.8	179.3	-69.8	173.6	0	0	0	112.5	I346 F347 F353 A354 V395	I346-L350 HydrophobicContact CG2-CD1 3.82Å; I346-L350 HydrophobicContact CG2-CG 4.4Å; I346-L350 WeakPolarHBondContact O-CG 3.44Å; I346-L350 PolarHBondContact O-N 2.52Å; F347-L350 HydrophobicContact CD1-CD1 4.29Å; F347-L350 PolarHBondContact O-N 2.78Å; L350-F353 PolarHBondContact O-N 3.41Å; L350-A354 WeakPolarHBondContact O-CB 3.23Å; L350-A354 PolarHBondContact O-N 3.19Å; L350-V395 HydrophobicContact CB-CG1 3.7Å; L350-V395 HydrophobicContact CB-CG2 4.17Å
351	V	97.5	Very high	94.7	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-68.5	-37	179.3	79	0	0	0	0	111.2	F347 A354 E355 F363 W372 P387 V395	F347-V351 WeakPolarHBondContact O-CB 3.42Å; F347-V351 WeakPolarHBondContact O-CG1 3.43Å; F347-V351 PolarHBondContact O-N 2.83Å; V351-A354 PolarHBondContact O-N 3.4Å; V351-E355 HydrophobicContact CG2-CG 4.01Å; V351-E355 VanDerWaalsContact O-CB 3.31Å; V351-E355 WeakPolarHBondContact O-CB 3.39Å; V351-E355 WeakPolarHBondContact O-CG 3.34Å; V351-E355 PolarHBondContact O-N 3.14Å; V351-F363 HydrophobicContact CB-CE1 4.34Å; V351-F363 HydrophobicContact CG1-CD1 3.68Å; V351-F363 HydrophobicContact CG1-CE1 3.53Å; V351-F363 HydrophobicContact CG1-CG 4.48Å; V351-F363 HydrophobicContact CG1-CZ 4.26Å; V351-F363 HydrophobicContact CG2-CD1 4.34Å; V351-F363 HydrophobicContact CG2-CE1 3.8Å; V351-F363 HydrophobicContact CG2-CE2 4.04Å; V351-F363 HydrophobicContact CG2-CZ 3.64Å; V351-W372 HydrophobicContact CB-CE3 4.14Å; V351-W372 HydrophobicContact CB-CH2 4Å; V351-W372 HydrophobicContact CB-CZ3 3.62Å; V351-W372 HydrophobicContact CG1-CD2 4.45Å; V351-W372 HydrophobicContact CG1-CE3 3.61Å; V351-W372 HydrophobicContact CG1-CH2 4.39Å; V351-W372 HydrophobicContact CG1-CZ3 3.58Å; V351-W372 HydrophobicContact CG2-CE3 4.3Å; V351-W372 HydrophobicContact CG2-CH2 3.85Å; V351-W372 HydrophobicContact CG2-CZ2 4.25Å; V351-W372 HydrophobicContact CG2-CZ3 3.9Å; V351-P387 HydrophobicContact CG2-CB 4.23Å; V351-V395 HydrophobicContact CB-CG1 4.15Å
352	F	97.2	Very high	94.5	Very high	42 Å²	42	66.2 Å²	66.2	18%	0.184	33%	0.328	C	S	.	.	H	α-helix	trans	-60.5	-49	174.7	175	-102.7	0	0	0	111	S348 S349 A354 E355 K356 F363 I366	S348-F352 WeakPolarHBondContact O-CB 3.27Å; S348-F352 PolarHBondContact O-N 2.98Å; S349-F352 PolarHBondContact O-N 3.25Å; F352-A354 VanDerWaalsContact C-N 3.26Å; F352-A354 PolarHBondContact O-N 2.81Å; F352-E355 PolarHBondContact O-N 3.24Å; F352-K356 HydrophobicContact CE2-CB 4.45Å; F352-K356 HydrophobicContact CZ-CB 4.4Å; F352-K356 WeakPolarHBondContact O-CB 3.39Å; F352-K356 PolarHBondContact O-N 3.25Å; F352-F363 VanDerWaalsContact CD2-O 3.27Å; F352-F363 WeakPolarHBondContact CD2-O 3.32Å; F352-F363 WeakPolarHBondContact CE2-O 3.47Å; F352-I366 HydrophobicContact CB-CG1 3.97Å; F352-I366 HydrophobicContact CD1-CD1 4.08Å; F352-I366 HydrophobicContact CD1-CG1 3.51Å; F352-I366 HydrophobicContact CE1-CG1 4.15Å; F352-I366 HydrophobicContact CG-CG1 3.74Å
353	F	96.4	Very high	94.3	Very high	124 Å²	124	61.4 Å²	61.4	54%	0.544	31%	0.305	S	S	.	.	H	α-helix	trans	-68.6	-22.1	177.5	-74.3	-62.7	0	0	0	114.1	S349 L350 K356 I366	S349-F353 WeakPolarHBondContact O-CD2 3.2Å; S349-F353 PolarHBondContact O-N 3Å; L350-F353 PolarHBondContact O-N 3.41Å; F353-K356 HydrophobicContact CD1-CD 4.08Å; F353-I366 HydrophobicContact CE2-CD1 4.3Å
354	A	95.8	Very high	94.2	Very high	14 Å²	14	67.7 Å²	67.7	12%	0.116	33%	0.329	C	S	.	.	H	α-helix	trans	-81.5	-27.1	173.6	0	0	0	0	0	114.1	L350 V351 F352 T389 L391	L350-A354 WeakPolarHBondContact O-CB 3.23Å; L350-A354 PolarHBondContact O-N 3.19Å; V351-A354 PolarHBondContact O-N 3.4Å; F352-A354 VanDerWaalsContact C-N 3.26Å; F352-A354 PolarHBondContact O-N 2.81Å; A354-T389 PolarHBondContact O-OG1 3.25Å; A354-L391 HydrophobicContact CB-CB 4.12Å; A354-L391 HydrophobicContact CB-CD2 3.84Å; A354-L391 HydrophobicContact CB-CG 3.75Å
355	E	95.3	Very high	94.1	Very high	1 Å²	1	69 Å²	69	1%	0.005	34%	0.34	C	S	.	.	H	α-helix	trans	-114.7	-1.7	-172.2	-62.2	-80.5	134.9	0	0	113.8	V351 F352 D357 E358 T361 F363 P387 K388 T389	V351-E355 HydrophobicContact CG2-CG 4.01Å; V351-E355 VanDerWaalsContact O-CB 3.31Å; V351-E355 WeakPolarHBondContact O-CB 3.39Å; V351-E355 WeakPolarHBondContact O-CG 3.34Å; V351-E355 PolarHBondContact O-N 3.14Å; F352-E355 PolarHBondContact O-N 3.24Å; E355-D357 VanDerWaalsContact C-N 3.28Å; E355-D357 PolarHBondContact O-N 2.93Å; E355-E358 PolarHBondContact O-N 3.1Å; E355-T361 VanDerWaalsContact O-CB 3.26Å; E355-T361 WeakPolarHBondContact O-CB 3.39Å; E355-T361 WeakPolarHBondContact O-CG2 3.45Å; E355-T361 PolarHBondContact O-OG1 3.29Å; E355-F363 HydrophobicContact CB-CB 4.28Å; E355-F363 HydrophobicContact CB-CD2 3.62Å; E355-F363 HydrophobicContact CB-CE2 4.33Å; E355-F363 HydrophobicContact CB-CG 4.21Å; E355-F363 HydrophobicContact CG-CD2 3.68Å; E355-F363 HydrophobicContact CG-CE2 3.86Å; E355-P387 VanDerWaalsContact CD-CA 3.48Å; E355-P387 HydrophobicContact CG-CB 4.1Å; E355-P387 WeakPolarHBondContact OE1-CA 3.23Å; E355-P387 VanDerWaalsContact OE1-CB 3.28Å; E355-P387 WeakPolarHBondContact OE1-CB 3.48Å; E355-P387 WeakPolarHBondContact OE2-CA 3.23Å; E355-K388 VanDerWaalsContact CD-N 3.33Å; E355-K388 PolarHBondContact OE1-N 3.17Å; E355-K388 PolarHBondContact OE2-N 3.12Å; E355-T389 WeakPolarHBondContact OE1-CA 3.35Å; E355-T389 VanDerWaalsContact OE1-CB 3.25Å; E355-T389 WeakPolarHBondContact OE1-CB 3.49Å; E355-T389 WeakPolarHBondContact OE1-CG2 3.38Å; E355-T389 PolarHBondContact OE1-N 3.15Å; E355-T389 PolarHBondContact OE1-OG1 3.25Å
356	K	92.9	Very high	94	Very high	91 Å²	91	65.8 Å²	65.8	40%	0.396	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-24	-175.6	58.1	162.1	-176.8	61.8	0	115	F352 F353	F352-K356 HydrophobicContact CE2-CB 4.45Å; F352-K356 HydrophobicContact CZ-CB 4.4Å; F352-K356 WeakPolarHBondContact O-CB 3.39Å; F352-K356 PolarHBondContact O-N 3.25Å; F353-K356 HydrophobicContact CD1-CD 4.08Å
357	D	90.7	Very high	93.9	Very high	127 Å²	127	65.9 Å²	65.9	68%	0.679	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	4.3	-175.8	-52	-52.1	0	0	0	112.6	E355	E355-D357 VanDerWaalsContact C-N 3.28Å; E355-D357 PolarHBondContact O-N 2.93Å
358	E	91.8	Very high	93.8	Very high	74 Å²	74	66.7 Å²	66.7	35%	0.346	34%	0.343	S	S	.	.			trans	-96.8	116.7	177	174.3	74.1	-131.4	0	0	109.2	E355 D360 T361 K388 T389	E355-E358 PolarHBondContact O-N 3.1Å; E358-D360 PolarHBondContact O-N 2.99Å; E358-T361 WeakPolarHBondContact O-CB 3.44Å; E358-T361 WeakPolarHBondContact O-CG2 3.46Å; E358-T361 PolarHBondContact O-N 3.18Å; E358-K388 HydrophobicContact CG-CB 4.42Å; E358-K388 HydrophobicContact CG-CD 4.01Å; E358-T389 HydrophobicContact CB-CG2 4.43Å
359	E	79.5	Confident	93.7	Very high	181 Å²	181	66.7 Å²	66.7	85%	0.846	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-47.3	-169	-60.2	-171	163.3	0	0	112.7	T361 K364	E359-T361 PolarHBondContact O-N 3.41Å; E359-T361 VanDerWaalsContact O-N 3.11Å; E359-K364 PolarHBondContact O-NZ 3.46Å
360	D	84.8	Confident	93.7	Very high	126 Å²	126	68.2 Å²	68.2	67%	0.674	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	28.2	175.9	-79.7	-23.7	0	0	0	113.1	E358 K388	E358-D360 PolarHBondContact O-N 2.99Å; D360-K388 PolarHBondContact O-NZ 3.04Å
361	T	90.3	Very high	93.7	Very high	10 Å²	10	69.8 Å²	69.8	6%	0.061	35%	0.345	C	S	.	.			trans	-72.4	142.4	173.4	-169	0	0	0	0	112.1	E355 E358 E359 F363 K364	E355-T361 VanDerWaalsContact O-CB 3.26Å; E355-T361 WeakPolarHBondContact O-CB 3.39Å; E355-T361 WeakPolarHBondContact O-CG2 3.45Å; E355-T361 PolarHBondContact O-OG1 3.29Å; E358-T361 WeakPolarHBondContact O-CB 3.44Å; E358-T361 WeakPolarHBondContact O-CG2 3.46Å; E358-T361 PolarHBondContact O-N 3.18Å; E359-T361 PolarHBondContact O-N 3.41Å; E359-T361 VanDerWaalsContact O-N 3.11Å; T361-F363 WeakPolarHBondContact OG1-CD2 3.3Å; T361-F363 PolarHBondContact OG1-N 3.03Å; T361-F363 VanDerWaalsContact OG1-N 3.17Å; T361-K364 HydrophobicContact CG2-CD 4.29Å; T361-K364 WeakPolarHBondContact O-CE 3.12Å; T361-K364 PolarHBondContact O-NZ 2.83Å
362	K	92.1	Very high	93.7	Very high	122 Å²	122	70.1 Å²	70.1	53%	0.53	35%	0.346	S	S	.	.	S	Bend	trans	-88.9	-10.4	167.8	-73.6	177.9	175.3	172.7	0	112.8	K364 D384 I385	K362-K364 VanDerWaalsContact C-N 3.26Å; K362-K364 PolarHBondContact O-N 3.45Å; K362-D384 WeakPolarHBondContact CD-O 3.28Å; K362-D384 WeakPolarHBondContact CE-O 3.24Å; K362-D384 PolarHBondContact NZ-O 2.82Å; K362-I385 HydrophobicContact CB-CG1 4.18Å; K362-I385 HydrophobicContact CB-CG2 4.11Å; K362-I385 HydrophobicContact CD-CG1 4.23Å
363	F	94.2	Very high	93.7	Very high	2 Å²	2	68.1 Å²	68.1	1%	0.009	34%	0.337	C	S	.	.			trans	-79.9	66.1	-179.7	-61.4	-80.2	0	0	0	111.5	V351 F352 E355 T361 S365 S369 W372 I385 P387	V351-F363 HydrophobicContact CB-CE1 4.34Å; V351-F363 HydrophobicContact CG1-CD1 3.68Å; V351-F363 HydrophobicContact CG1-CE1 3.53Å; V351-F363 HydrophobicContact CG1-CG 4.48Å; V351-F363 HydrophobicContact CG1-CZ 4.26Å; V351-F363 HydrophobicContact CG2-CD1 4.34Å; V351-F363 HydrophobicContact CG2-CE1 3.8Å; V351-F363 HydrophobicContact CG2-CE2 4.04Å; V351-F363 HydrophobicContact CG2-CZ 3.64Å; F352-F363 VanDerWaalsContact CD2-O 3.27Å; F352-F363 WeakPolarHBondContact CD2-O 3.32Å; F352-F363 WeakPolarHBondContact CE2-O 3.47Å; E355-F363 HydrophobicContact CB-CB 4.28Å; E355-F363 HydrophobicContact CB-CD2 3.62Å; E355-F363 HydrophobicContact CB-CE2 4.33Å; E355-F363 HydrophobicContact CB-CG 4.21Å; E355-F363 HydrophobicContact CG-CD2 3.68Å; E355-F363 HydrophobicContact CG-CE2 3.86Å; T361-F363 WeakPolarHBondContact OG1-CD2 3.3Å; T361-F363 PolarHBondContact OG1-N 3.03Å; T361-F363 VanDerWaalsContact OG1-N 3.17Å; F363-S365 VanDerWaalsContact C-N 3.32Å; F363-S365 PolarHBondContact O-N 3.4Å; F363-S369 WeakPolarHBondContact CD1-OG 3.44Å; F363-W372 HydrophobicContact CE1-CB 3.81Å; F363-W372 AromaticContact CE1-CD2 3.72Å; F363-W372 HydrophobicContact CE1-CD2 3.72Å; F363-W372 HydrophobicContact CE1-CE3 4.06Å; F363-W372 AromaticContact CE1-CG 3.59Å; F363-W372 HydrophobicContact CE1-CG 3.59Å; F363-W372 HydrophobicContact CZ-CB 4.48Å; F363-W372 AromaticContact CZ-CD2 3.95Å; F363-W372 HydrophobicContact CZ-CD2 3.95Å; F363-W372 AromaticContact CZ-CG 3.88Å; F363-W372 HydrophobicContact CZ-CG 3.88Å; F363-I385 HydrophobicContact CD1-CG2 4.09Å; F363-I385 HydrophobicContact CD2-CG2 4.46Å; F363-I385 HydrophobicContact CE1-CG2 3.55Å; F363-I385 HydrophobicContact CE2-CG2 3.94Å; F363-I385 HydrophobicContact CZ-CG2 3.47Å; F363-I385 VanDerWaalsContact CZ-CG2 3.47Å; F363-P387 HydrophobicContact CE2-CB 4.36Å
364	K	93.4	Very high	93.7	Very high	139 Å²	139	64.4 Å²	64.4	60%	0.604	33%	0.325	S	S	*	.			trans	-74.8	-14.4	-173.9	-59.8	-50.5	-165.4	-163.5	0	114.8	E359 T361 K362	E359-K364 PolarHBondContact O-NZ 3.46Å; T361-K364 HydrophobicContact CG2-CD 4.29Å; T361-K364 WeakPolarHBondContact O-CE 3.12Å; T361-K364 PolarHBondContact O-NZ 2.83Å; K362-K364 VanDerWaalsContact C-N 3.26Å; K362-K364 PolarHBondContact O-N 3.45Å
365	S	95.3	Very high	93.8	Very high	46 Å²	46	64.1 Å²	64.1	32%	0.322	32%	0.321	S	S	.	.	S	Bend	trans	-163.5	163.3	172	69.3	0	0	0	0	111.6	F363 A368 S369	F363-S365 VanDerWaalsContact C-N 3.32Å; F363-S365 PolarHBondContact O-N 3.4Å; S365-A368 PolarHBondContact O-N 3.08Å; S365-A368 WeakPolarHBondContact OG-CB 3.38Å; S365-A368 PolarHBondContact OG-N 3.29Å; S365-A368 VanDerWaalsContact OG-N 3.17Å; S365-S369 WeakPolarHBondContact O-CB 3.3Å; S365-S369 PolarHBondContact O-N 2.88Å; S365-S369 PolarHBondContact O-OG 2.9Å
366	I	96.6	Very high	93.9	Very high	47 Å²	47	64.9 Å²	64.9	24%	0.241	33%	0.326	C	S	.	.	H	α-helix	trans	-59.3	-45.8	175.8	-58.8	173.8	0	0	0	111.6	F352 F353 A368 S369 F370	F352-I366 HydrophobicContact CB-CG1 3.97Å; F352-I366 HydrophobicContact CD1-CD1 4.08Å; F352-I366 HydrophobicContact CD1-CG1 3.51Å; F352-I366 HydrophobicContact CE1-CG1 4.15Å; F352-I366 HydrophobicContact CG-CG1 3.74Å; F353-I366 HydrophobicContact CE2-CD1 4.3Å; I366-A368 PolarHBondContact O-N 3.45Å; I366-S369 CarbonylContact O-C 3.55Å; I366-S369 WeakPolarHBondContact O-CA 3.44Å; I366-S369 VanDerWaalsContact O-CB 3.28Å; I366-S369 WeakPolarHBondContact O-CB 3.43Å; I366-S369 PolarHBondContact O-N 3.41Å; I366-F370 HydrophobicContact CG2-CE1 3.89Å; I366-F370 HydrophobicContact CG2-CZ 4.49Å; I366-F370 WeakPolarHBondContact O-CD1 3.41Å; I366-F370 PolarHBondContact O-N 2.91Å; I366-F370 VanDerWaalsContact O-N 3.16Å
367	P	96.8	Very high	94	Very high	85 Å²	85	60.6 Å²	60.6	55%	0.552	31%	0.307	S	S	*	.	H	α-helix	trans	-64.6	-34.8	175.1	-24.5	36.2	0	0	0	114.4	S369 F370	P367-S369 PolarHBondContact O-N 3.16Å; P367-F370 HydrophobicContact CB-CD2 4.24Å; P367-F370 HydrophobicContact CB-CE2 4.21Å; P367-F370 VanDerWaalsContact O-CB 3.29Å; P367-F370 WeakPolarHBondContact O-CB 3.26Å; P367-F370 PolarHBondContact O-N 3.43Å
368	A	94.5	Very high	94.3	Very high	44 Å²	44	56.9 Å²	56.9	36%	0.364	29%	0.289	S	S	.	.	H	α-helix	trans	-65	-32.6	171.4	0	0	0	0	0	111.5	S365 I366 F370 W371	S365-A368 PolarHBondContact O-N 3.08Å; S365-A368 WeakPolarHBondContact OG-CB 3.38Å; S365-A368 PolarHBondContact OG-N 3.29Å; S365-A368 VanDerWaalsContact OG-N 3.17Å; I366-A368 PolarHBondContact O-N 3.45Å; A368-F370 VanDerWaalsContact C-N 3.25Å; A368-F370 PolarHBondContact O-N 3.17Å; A368-W371 PolarHBondContact O-N 3.36Å
369	S	96.8	Very high	94.5	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-72.8	-13.1	176	-49.7	0	0	0	0	113.1	S348 F363 S365 I366 P367 W371 W372 A373	S348-S369 PolarHBondContact OG-O 2.91Å; F363-S369 WeakPolarHBondContact CD1-OG 3.44Å; S365-S369 WeakPolarHBondContact O-CB 3.3Å; S365-S369 PolarHBondContact O-N 2.88Å; S365-S369 PolarHBondContact O-OG 2.9Å; I366-S369 CarbonylContact O-C 3.55Å; I366-S369 WeakPolarHBondContact O-CA 3.44Å; I366-S369 VanDerWaalsContact O-CB 3.28Å; I366-S369 WeakPolarHBondContact O-CB 3.43Å; I366-S369 PolarHBondContact O-N 3.41Å; P367-S369 PolarHBondContact O-N 3.16Å; S369-W371 VanDerWaalsContact C-N 3.3Å; S369-W371 PolarHBondContact O-N 3.25Å; S369-W372 PolarHBondContact O-N 3.44Å; S369-A373 PolarHBondContact O-N 3.15Å; S369-A373 VanDerWaalsContact O-N 3.11Å
370	F	97.7	Very high	95.3	Very high	70 Å²	70	53 Å²	53	31%	0.307	28%	0.283	S	S	.	.	H	α-helix	trans	-62.8	-36	172.7	-66.5	-18.8	0	0	0	111.9	I344 M345 S348 I366 P367 A368 A373 T374	I344-F370 HydrophobicContact CG2-CB 3.9Å; I344-F370 HydrophobicContact CG2-CD1 3.71Å; I344-F370 HydrophobicContact CG2-CE1 4.49Å; I344-F370 HydrophobicContact CG2-CG 3.96Å; M345-F370 HydrophobicContact CG-CE1 4.32Å; M345-F370 HydrophobicContact CG-CZ 4.39Å; M345-F370 HydrophobicContact SD-CZ 4.11Å; S348-F370 VanDerWaalsContact OG-CA 3.28Å; S348-F370 WeakPolarHBondContact OG-CA 3.33Å; S348-F370 PolarHBondContact OG-N 2.72Å; I366-F370 HydrophobicContact CG2-CE1 3.89Å; I366-F370 HydrophobicContact CG2-CZ 4.49Å; I366-F370 WeakPolarHBondContact O-CD1 3.41Å; I366-F370 PolarHBondContact O-N 2.91Å; I366-F370 VanDerWaalsContact O-N 3.16Å; P367-F370 HydrophobicContact CB-CD2 4.24Å; P367-F370 HydrophobicContact CB-CE2 4.21Å; P367-F370 VanDerWaalsContact O-CB 3.29Å; P367-F370 WeakPolarHBondContact O-CB 3.26Å; P367-F370 PolarHBondContact O-N 3.43Å; A368-F370 VanDerWaalsContact C-N 3.25Å; A368-F370 PolarHBondContact O-N 3.17Å; F370-A373 PolarHBondContact O-N 3.14Å; F370-T374 VanDerWaalsContact O-CB 3.31Å; F370-T374 WeakPolarHBondContact O-CB 3.37Å; F370-T374 PolarHBondContact O-N 3.45Å; F370-T374 PolarHBondContact O-OG1 3.32Å
371	W	97.4	Very high	95.8	Very high	121 Å²	121	49.3 Å²	49.3	46%	0.458	28%	0.275	S	S	.	.	H	α-helix	trans	-58.5	-53.1	176.3	172.3	-115.1	0	0	0	110.9	A368 S369 T374 I375 Y382 D384	A368-W371 PolarHBondContact O-N 3.36Å; S369-W371 VanDerWaalsContact C-N 3.3Å; S369-W371 PolarHBondContact O-N 3.25Å; W371-T374 WeakPolarHBondContact O-CB 3.47Å; W371-T374 PolarHBondContact O-N 3.41Å; W371-I375 HydrophobicContact CD2-CG2 4.21Å; W371-I375 HydrophobicContact CE3-CG2 4.18Å; W371-I375 HydrophobicContact CH2-CG2 4.02Å; W371-I375 HydrophobicContact CZ2-CG2 4.03Å; W371-I375 HydrophobicContact CZ3-CG2 4.09Å; W371-I375 PolarHBondContact O-N 3.05Å; W371-Y382 HydrophobicContact CH2-CD2 4.19Å; W371-Y382 AromaticContact CH2-CE2 3.73Å; W371-Y382 HydrophobicContact CH2-CE2 3.73Å; W371-Y382 AromaticContact CZ2-CD2 3.68Å; W371-Y382 HydrophobicContact CZ2-CD2 3.68Å; W371-Y382 AromaticContact CZ2-CE2 3.7Å; W371-Y382 HydrophobicContact CZ2-CE2 3.7Å; W371-D384 PolarHBondContact NE1-OD2 3.43Å
372	W	97.4	Very high	96.1	Very high	7 Å²	7	56.2 Å²	56.2	3%	0.027	30%	0.301	C	S	.	.	H	α-helix	trans	-56.5	-53.4	176.7	174.7	79.9	0	0	0	112.3	V351 F363 S369 T374 I375 T376 I385 P387 C399	V351-W372 HydrophobicContact CB-CE3 4.14Å; V351-W372 HydrophobicContact CB-CH2 4Å; V351-W372 HydrophobicContact CB-CZ3 3.62Å; V351-W372 HydrophobicContact CG1-CD2 4.45Å; V351-W372 HydrophobicContact CG1-CE3 3.61Å; V351-W372 HydrophobicContact CG1-CH2 4.39Å; V351-W372 HydrophobicContact CG1-CZ3 3.58Å; V351-W372 HydrophobicContact CG2-CE3 4.3Å; V351-W372 HydrophobicContact CG2-CH2 3.85Å; V351-W372 HydrophobicContact CG2-CZ2 4.25Å; V351-W372 HydrophobicContact CG2-CZ3 3.9Å; F363-W372 HydrophobicContact CE1-CB 3.81Å; F363-W372 AromaticContact CE1-CD2 3.72Å; F363-W372 HydrophobicContact CE1-CD2 3.72Å; F363-W372 HydrophobicContact CE1-CE3 4.06Å; F363-W372 AromaticContact CE1-CG 3.59Å; F363-W372 HydrophobicContact CE1-CG 3.59Å; F363-W372 HydrophobicContact CZ-CB 4.48Å; F363-W372 AromaticContact CZ-CD2 3.95Å; F363-W372 HydrophobicContact CZ-CD2 3.95Å; F363-W372 AromaticContact CZ-CG 3.88Å; F363-W372 HydrophobicContact CZ-CG 3.88Å; S369-W372 PolarHBondContact O-N 3.44Å; W372-T374 PolarHBondContact O-N 2.93Å; W372-I375 VanDerWaalsContact O-CG1 3.3Å; W372-I375 WeakPolarHBondContact O-CG1 3.4Å; W372-I375 PolarHBondContact O-N 3.38Å; W372-T376 HydrophobicContact CZ2-CG2 4.33Å; W372-T376 PolarHBondContact NE1-OG1 3.05Å; W372-T376 WeakPolarHBondContact O-CB 3.11Å; W372-T376 PolarHBondContact O-N 3.05Å; W372-T376 PolarHBondContact O-OG1 3.05Å; W372-T376 VanDerWaalsContact O-OG1 3.1Å; W372-I385 HydrophobicContact CB-CB 4.3Å; W372-I385 HydrophobicContact CB-CG2 3.97Å; W372-I385 VanDerWaalsContact CD1-O 3.24Å; W372-I385 HydrophobicContact CG-CG2 4.14Å; W372-P387 HydrophobicContact CZ2-CG 4.29Å; W372-C399 HydrophobicContact CH2-CB 4.18Å
373	A	97.6	Very high	96.2	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-63.7	-32.7	-177.9	0	0	0	0	0	112	I344 F347 S348 S369 F370 M377	I344-A373 HydrophobicContact CG1-CB 4.47Å; I344-A373 HydrophobicContact CG2-CB 4.36Å; F347-A373 HydrophobicContact CB-CB 4.3Å; S348-A373 WeakPolarHBondContact OG-CB 3.49Å; S369-A373 PolarHBondContact O-N 3.15Å; S369-A373 VanDerWaalsContact O-N 3.11Å; F370-A373 PolarHBondContact O-N 3.14Å; A373-M377 VanDerWaalsContact O-CB 3.24Å; A373-M377 WeakPolarHBondContact O-CB 3.36Å; A373-M377 VanDerWaalsContact O-CG 3.3Å; A373-M377 WeakPolarHBondContact O-CG 3.27Å; A373-M377 PolarHBondContact O-N 2.91Å
374	T	97.4	Very high	96.2	Very high	46 Å²	46	55.3 Å²	55.3	28%	0.282	31%	0.312	S	S	.	.	H	α-helix	trans	-63.6	-51.6	174.1	-55.6	0	0	0	0	111.4	I344 F370 W371 W372 T376 T378	I344-T374 HydrophobicContact CD1-CG2 4.29Å; I344-T374 WeakPolarHBondContact CD1-OG1 3.27Å; F370-T374 VanDerWaalsContact O-CB 3.31Å; F370-T374 WeakPolarHBondContact O-CB 3.37Å; F370-T374 PolarHBondContact O-N 3.45Å; F370-T374 PolarHBondContact O-OG1 3.32Å; W371-T374 WeakPolarHBondContact O-CB 3.47Å; W371-T374 PolarHBondContact O-N 3.41Å; W372-T374 PolarHBondContact O-N 2.93Å; T374-T376 VanDerWaalsContact C-N 3.31Å; T374-T376 PolarHBondContact O-N 3.36Å; T374-T378 WeakPolarHBondContact O-CB 3.43Å; T374-T378 WeakPolarHBondContact O-CG2 3.27Å; T374-T378 PolarHBondContact O-N 2.92Å; T374-T378 PolarHBondContact O-OG1 3.01Å
375	I	97.1	Very high	96.3	Very high	7 Å²	7	49.9 Å²	49.9	4%	0.036	29%	0.29	C	S	.	.	H	α-helix	trans	-71.8	-25.4	-178.1	67.5	175.7	0	0	0	112.6	W371 W372 T379 V380 G381 Y382 D384	W371-I375 HydrophobicContact CD2-CG2 4.21Å; W371-I375 HydrophobicContact CE3-CG2 4.18Å; W371-I375 HydrophobicContact CH2-CG2 4.02Å; W371-I375 HydrophobicContact CZ2-CG2 4.03Å; W371-I375 HydrophobicContact CZ3-CG2 4.09Å; W371-I375 PolarHBondContact O-N 3.05Å; W372-I375 VanDerWaalsContact O-CG1 3.3Å; W372-I375 WeakPolarHBondContact O-CG1 3.4Å; W372-I375 PolarHBondContact O-N 3.38Å; I375-T379 PolarHBondContact O-N 3.04Å; I375-V380 HydrophobicContact CB-CB 4.29Å; I375-V380 PolarHBondContact O-N 3.41Å; I375-G381 PolarHBondContact O-N 2.98Å; I375-Y382 HydrophobicContact CB-CD2 4.39Å; I375-Y382 HydrophobicContact CD1-CD2 3.93Å; I375-Y382 HydrophobicContact CG2-CD2 3.93Å; I375-Y382 HydrophobicContact CG2-CE2 3.98Å; I375-D384 WeakPolarHBondContact CD1-OD1 3.48Å
376	T	97	Very high	96.3	Very high	17 Å²	17	54.1 Å²	54.1	10%	0.104	30%	0.299	C	S	.	.	H	α-helix	trans	-77.2	-47.2	173.8	-63.6	0	0	0	0	111.5	W372 T374 T378 T379 C399 C400	W372-T376 HydrophobicContact CZ2-CG2 4.33Å; W372-T376 PolarHBondContact NE1-OG1 3.05Å; W372-T376 WeakPolarHBondContact O-CB 3.11Å; W372-T376 PolarHBondContact O-N 3.05Å; W372-T376 PolarHBondContact O-OG1 3.05Å; W372-T376 VanDerWaalsContact O-OG1 3.1Å; T374-T376 VanDerWaalsContact C-N 3.31Å; T374-T376 PolarHBondContact O-N 3.36Å; T376-T378 VanDerWaalsContact C-N 3.33Å; T376-T378 PolarHBondContact O-N 3.49Å; T376-T379 PolarHBondContact O-N 3.43Å; T376-T379 VanDerWaalsContact O-N 3.07Å; T376-C399 HydrophobicContact CG2-CB 4.02Å; T376-C400 VanDerWaalsContact CG2-SG 3.51Å
377	M	96.3	Very high	96.2	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-65.1	-35.4	177.3	-75.2	-173.1	69.4	0	0	112.7	I344 F347 A373 T379 G403 V406 I407	I344-M377 HydrophobicContact CG1-SD 4.07Å; I344-M377 PolarHBondContact N-SD 3.37Å; F347-M377 HydrophobicContact CD2-SD 4.12Å; A373-M377 VanDerWaalsContact O-CB 3.24Å; A373-M377 WeakPolarHBondContact O-CB 3.36Å; A373-M377 VanDerWaalsContact O-CG 3.3Å; A373-M377 WeakPolarHBondContact O-CG 3.27Å; A373-M377 PolarHBondContact O-N 2.91Å; M377-T379 PolarHBondContact O-N 2.71Å; M377-G403 CarbonylContact O-C 3.49Å; M377-G403 WeakPolarHBondContact O-CA 3.36Å; M377-V406 HydrophobicContact CE-CB 4.48Å; M377-I407 VanDerWaalsContact O-CD1 3.31Å; M377-I407 WeakPolarHBondContact O-CD1 3.43Å
378	T	96.1	Very high	96	Very high	49 Å²	49	51.7 Å²	51.7	30%	0.301	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	6.6	174.5	59.7	0	0	0	0	113.7	L340 T374 T376 V380 I407	L340-T378 HydrophobicContact CD1-CG2 4.23Å; T374-T378 WeakPolarHBondContact O-CB 3.43Å; T374-T378 WeakPolarHBondContact O-CG2 3.27Å; T374-T378 PolarHBondContact O-N 2.92Å; T374-T378 PolarHBondContact O-OG1 3.01Å; T376-T378 VanDerWaalsContact C-N 3.33Å; T376-T378 PolarHBondContact O-N 3.49Å; T378-V380 PolarHBondContact O-N 3.22Å; T378-V380 VanDerWaalsContact O-N 3.15Å; T378-I407 HydrophobicContact CG2-CD1 4.18Å
379	T	96.1	Very high	96.1	Very high	99 Å²	99	51.1 Å²	51.1	61%	0.607	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	19.8	179.3	63.3	0	0	0	0	115.7	I375 T376 M377 V404	I375-T379 PolarHBondContact O-N 3.04Å; T376-T379 PolarHBondContact O-N 3.43Å; T376-T379 VanDerWaalsContact O-N 3.07Å; M377-T379 PolarHBondContact O-N 2.71Å; T379-V404 HydrophobicContact CG2-CG2 3.61Å
380	V	97.1	Very high	96	Very high	75 Å²	75	57.6 Å²	57.6	46%	0.455	31%	0.306	S	S	.	.			trans	-77.9	-42.9	178.7	173.1	0	0	0	0	111.9	I375 T378 Y382	I375-V380 HydrophobicContact CB-CB 4.29Å; I375-V380 PolarHBondContact O-N 3.41Å; T378-V380 PolarHBondContact O-N 3.22Å; T378-V380 VanDerWaalsContact O-N 3.15Å; V380-Y382 HydrophobicContact CG1-CD1 4.12Å; V380-Y382 HydrophobicContact CG1-CD2 4.02Å; V380-Y382 HydrophobicContact CG1-CE1 3.75Å; V380-Y382 HydrophobicContact CG1-CE2 3.63Å; V380-Y382 HydrophobicContact CG1-CG 4.24Å; V380-Y382 VanDerWaalsContact CG1-CZ 3.49Å; V380-Y382 PolarHBondContact O-N 2.91Å
381	G	95.4	Very high	95.9	Very high	49 Å²	49	59.2 Å²	59.2	51%	0.505	32%	0.317	S	S	.	.			trans	52.2	49.4	164.7	0	0	0	0	0	117.4	I375 G383	I375-G381 PolarHBondContact O-N 2.98Å; G381-G383 PolarHBondContact O-N 3.46Å
382	Y	95.9	Very high	95.9	Very high	155 Å²	155	53.5 Å²	53.5	61%	0.608	30%	0.295	S	S	*	.			trans	-53.8	-20.6	-178	-66.6	-60.8	0	0	0	116.1	W371 I375 V380 D384	W371-Y382 HydrophobicContact CH2-CD2 4.19Å; W371-Y382 AromaticContact CH2-CE2 3.73Å; W371-Y382 HydrophobicContact CH2-CE2 3.73Å; W371-Y382 AromaticContact CZ2-CD2 3.68Å; W371-Y382 HydrophobicContact CZ2-CD2 3.68Å; W371-Y382 AromaticContact CZ2-CE2 3.7Å; W371-Y382 HydrophobicContact CZ2-CE2 3.7Å; I375-Y382 HydrophobicContact CB-CD2 4.39Å; I375-Y382 HydrophobicContact CD1-CD2 3.93Å; I375-Y382 HydrophobicContact CG2-CD2 3.93Å; I375-Y382 HydrophobicContact CG2-CE2 3.98Å; V380-Y382 HydrophobicContact CG1-CD1 4.12Å; V380-Y382 HydrophobicContact CG1-CD2 4.02Å; V380-Y382 HydrophobicContact CG1-CE1 3.75Å; V380-Y382 HydrophobicContact CG1-CE2 3.63Å; V380-Y382 HydrophobicContact CG1-CG 4.24Å; V380-Y382 VanDerWaalsContact CG1-CZ 3.49Å; V380-Y382 PolarHBondContact O-N 2.91Å; Y382-D384 PolarHBondContact O-N 2.87Å
383	G	94.1	Very high	95.9	Very high	44 Å²	44	58.8 Å²	58.8	45%	0.454	32%	0.319	S	S	.	.	S	Bend	trans	75.3	6.6	-179.7	0	0	0	0	0	114.7	G381 Y386	G381-G383 PolarHBondContact O-N 3.46Å; G383-Y386 WeakPolarHBondContact O-CD1 3.35Å
384	D	94.7	Very high	95.9	Very high	60 Å²	60	63.2 Å²	63.2	32%	0.321	34%	0.341	S	S	.	.	S	Bend	trans	-70.1	-34.1	175.3	67.8	-45.7	0	0	0	112.2	K362 W371 I375 Y382	K362-D384 WeakPolarHBondContact CD-O 3.28Å; K362-D384 WeakPolarHBondContact CE-O 3.24Å; K362-D384 PolarHBondContact NZ-O 2.82Å; W371-D384 PolarHBondContact NE1-OD2 3.43Å; I375-D384 WeakPolarHBondContact CD1-OD1 3.48Å; Y382-D384 PolarHBondContact O-N 2.87Å
385	I	94.6	Very high	95.9	Very high	26 Å²	26	61.7 Å²	61.7	13%	0.133	33%	0.332	C	S	.	.	S	Bend	trans	-124.9	136.2	168.9	-57.7	-173.8	0	0	0	108.6	K362 F363 W372	K362-I385 HydrophobicContact CB-CG1 4.18Å; K362-I385 HydrophobicContact CB-CG2 4.11Å; K362-I385 HydrophobicContact CD-CG1 4.23Å; F363-I385 HydrophobicContact CD1-CG2 4.09Å; F363-I385 HydrophobicContact CD2-CG2 4.46Å; F363-I385 HydrophobicContact CE1-CG2 3.55Å; F363-I385 HydrophobicContact CE2-CG2 3.94Å; F363-I385 HydrophobicContact CZ-CG2 3.47Å; F363-I385 VanDerWaalsContact CZ-CG2 3.47Å; W372-I385 HydrophobicContact CB-CB 4.3Å; W372-I385 HydrophobicContact CB-CG2 3.97Å; W372-I385 VanDerWaalsContact CD1-O 3.24Å; W372-I385 HydrophobicContact CG-CG2 4.14Å
386	Y	94.9	Very high	95.9	Very high	134 Å²	134	61.8 Å²	61.8	53%	0.525	33%	0.334	S	S	.	.			trans	-156.4	151	175.1	57.3	-92.1	0	0	0	111	G383 K388	G383-Y386 WeakPolarHBondContact O-CD1 3.35Å; Y386-K388 HydrophobicContact CE2-CG 4.3Å
387	P	95.6	Very high	95.9	Very high	13 Å²	13	62.6 Å²	62.6	8%	0.084	35%	0.347	C	S	.	.			trans	-72.4	135.9	175.2	28.4	-33.9	0	0	0	112.7	V351 E355 F363 W372 G392 K393	V351-P387 HydrophobicContact CG2-CB 4.23Å; E355-P387 VanDerWaalsContact CD-CA 3.48Å; E355-P387 HydrophobicContact CG-CB 4.1Å; E355-P387 WeakPolarHBondContact OE1-CA 3.23Å; E355-P387 VanDerWaalsContact OE1-CB 3.28Å; E355-P387 WeakPolarHBondContact OE1-CB 3.48Å; E355-P387 WeakPolarHBondContact OE2-CA 3.23Å; F363-P387 HydrophobicContact CE2-CB 4.36Å; W372-P387 HydrophobicContact CZ2-CG 4.29Å; P387-G392 WeakPolarHBondContact CG-O 3.41Å; P387-K393 HydrophobicContact CG-CG 4.24Å; P387-K393 WeakPolarHBondContact O-CE 3.43Å
388	K	93.3	Very high	95.9	Very high	68 Å²	68	67.2 Å²	67.2	30%	0.296	37%	0.371	S	S	.	.			trans	-93	-39.3	175.8	-73.3	176.3	166.5	-179	0	112.2	E355 E358 D360 Y386 K393	E355-K388 VanDerWaalsContact CD-N 3.33Å; E355-K388 PolarHBondContact OE1-N 3.17Å; E355-K388 PolarHBondContact OE2-N 3.12Å; E358-K388 HydrophobicContact CG-CB 4.42Å; E358-K388 HydrophobicContact CG-CD 4.01Å; D360-K388 PolarHBondContact O-NZ 3.04Å; Y386-K388 HydrophobicContact CE2-CG 4.3Å; K388-K393 VanDerWaalsContact O-CE 3.27Å; K388-K393 WeakPolarHBondContact O-CE 3.26Å; K388-K393 PolarHBondContact O-NZ 2.71Å
389	T	95.5	Very high	96	Very high	33 Å²	33	64.9 Å²	64.9	20%	0.202	36%	0.357	C	S	.	.	S	Bend	trans	-71	159.9	-176.1	74.1	0	0	0	0	111.6	A354 E355 E358 L391 G392 K393	A354-T389 PolarHBondContact O-OG1 3.25Å; E355-T389 WeakPolarHBondContact OE1-CA 3.35Å; E355-T389 VanDerWaalsContact OE1-CB 3.25Å; E355-T389 WeakPolarHBondContact OE1-CB 3.49Å; E355-T389 WeakPolarHBondContact OE1-CG2 3.38Å; E355-T389 PolarHBondContact OE1-N 3.15Å; E355-T389 PolarHBondContact OE1-OG1 3.25Å; E358-T389 HydrophobicContact CB-CG2 4.43Å; T389-L391 VanDerWaalsContact C-N 3.34Å; T389-G392 PolarHBondContact OG1-N 3.09Å; T389-K393 WeakPolarHBondContact O-CB 3.38Å; T389-K393 WeakPolarHBondContact O-CD 3.39Å; T389-K393 VanDerWaalsContact O-CG 3.25Å; T389-K393 WeakPolarHBondContact O-CG 3.17Å; T389-K393 PolarHBondContact O-N 3.33Å; T389-K393 VanDerWaalsContact O-N 3.08Å
390	L	95.3	Very high	96	Very high	135 Å²	135	62.9 Å²	62.9	71%	0.707	35%	0.346	S	S	*	.	H	α-helix	trans	-63.6	-40.4	173.7	-179.5	60	0	0	0	111.6	K393 I394	L390-K393 PolarHBondContact O-N 3.18Å; L390-I394 HydrophobicContact CD1-CD1 4.43Å; L390-I394 HydrophobicContact CG-CD1 4.2Å; L390-I394 WeakPolarHBondContact O-CG1 3.42Å; L390-I394 PolarHBondContact O-N 2.85Å
391	L	95.9	Very high	96	Very high	105 Å²	105	64.5 Å²	64.5	55%	0.55	35%	0.351	S	S	.	.	H	α-helix	trans	-66.6	-46.1	180	-176.6	61.8	0	0	0	111.4	A354 T389 K393 I394 V395	A354-L391 HydrophobicContact CB-CB 4.12Å; A354-L391 HydrophobicContact CB-CD2 3.84Å; A354-L391 HydrophobicContact CB-CG 3.75Å; T389-L391 VanDerWaalsContact C-N 3.34Å; L391-K393 VanDerWaalsContact C-N 3.29Å; L391-K393 PolarHBondContact O-N 3.3Å; L391-I394 PolarHBondContact O-N 2.87Å; L391-I394 VanDerWaalsContact O-N 3.17Å; L391-V395 WeakPolarHBondContact O-CG2 3.5Å; L391-V395 PolarHBondContact O-N 3.01Å
392	G	96.4	Very high	96.1	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-61	-36.6	175.3	0	0	0	0	0	112.4	P387 T389 V395 G396	P387-G392 WeakPolarHBondContact CG-O 3.41Å; T389-G392 PolarHBondContact OG1-N 3.09Å; G392-V395 PolarHBondContact O-N 3.26Å; G392-G396 PolarHBondContact O-N 3.08Å
393	K	96.8	Very high	96.1	Very high	119 Å²	119	56 Å²	56	52%	0.517	31%	0.308	S	S	.	.	H	α-helix	trans	-65.9	-39.1	173.5	-75.3	164	178.9	157.9	0	112.8	P387 K388 T389 L390 L391 G396 G397	P387-K393 HydrophobicContact CG-CG 4.24Å; P387-K393 WeakPolarHBondContact O-CE 3.43Å; K388-K393 VanDerWaalsContact O-CE 3.27Å; K388-K393 WeakPolarHBondContact O-CE 3.26Å; K388-K393 PolarHBondContact O-NZ 2.71Å; T389-K393 WeakPolarHBondContact O-CB 3.38Å; T389-K393 WeakPolarHBondContact O-CD 3.39Å; T389-K393 VanDerWaalsContact O-CG 3.25Å; T389-K393 WeakPolarHBondContact O-CG 3.17Å; T389-K393 PolarHBondContact O-N 3.33Å; T389-K393 VanDerWaalsContact O-N 3.08Å; L390-K393 PolarHBondContact O-N 3.18Å; L391-K393 VanDerWaalsContact C-N 3.29Å; L391-K393 PolarHBondContact O-N 3.3Å; K393-G396 PolarHBondContact O-N 3.11Å; K393-G397 PolarHBondContact O-N 3.24Å
394	I	97.9	Very high	96.2	Very high	92 Å²	92	57.6 Å²	57.6	47%	0.472	31%	0.309	S	S	.	.	H	α-helix	trans	-64.2	-46.2	173.1	-67.6	163.6	0	0	0	110.4	L390 L391 G396 G397 L398	L390-I394 HydrophobicContact CD1-CD1 4.43Å; L390-I394 HydrophobicContact CG-CD1 4.2Å; L390-I394 WeakPolarHBondContact O-CG1 3.42Å; L390-I394 PolarHBondContact O-N 2.85Å; L391-I394 PolarHBondContact O-N 2.87Å; L391-I394 VanDerWaalsContact O-N 3.17Å; I394-G396 VanDerWaalsContact C-N 3.28Å; I394-G396 PolarHBondContact O-N 3.11Å; I394-G397 PolarHBondContact O-N 2.76Å; I394-L398 HydrophobicContact CG2-CD1 4.28Å; I394-L398 WeakPolarHBondContact O-CG 3.42Å; I394-L398 PolarHBondContact O-N 2.99Å
395	V	97.8	Very high	96.2	Very high	14 Å²	14	59.7 Å²	59.7	9%	0.085	32%	0.319	C	S	.	.	H	α-helix	trans	-59.1	-39.8	173.9	173.3	0	0	0	0	111.2	F347 L350 V351 L391 G392 L398 C399	F347-V395 HydrophobicContact CD1-CG1 4.2Å; L350-V395 HydrophobicContact CB-CG1 3.7Å; L350-V395 HydrophobicContact CB-CG2 4.17Å; V351-V395 HydrophobicContact CB-CG1 4.15Å; L391-V395 WeakPolarHBondContact O-CG2 3.5Å; L391-V395 PolarHBondContact O-N 3.01Å; G392-V395 PolarHBondContact O-N 3.26Å; V395-L398 PolarHBondContact O-N 2.86Å; V395-C399 VanDerWaalsContact O-CB 3.22Å; V395-C399 WeakPolarHBondContact O-CB 3.31Å; V395-C399 PolarHBondContact O-N 2.8Å
396	G	96.8	Very high	96.2	Very high	9 Å²	9	59.9 Å²	59.9	9%	0.093	32%	0.322	C	S	.	.	H	α-helix	trans	-61.5	-45.7	173.8	0	0	0	0	0	113.4	G392 K393 I394 L398 C399 C400	G392-G396 PolarHBondContact O-N 3.08Å; K393-G396 PolarHBondContact O-N 3.11Å; I394-G396 VanDerWaalsContact C-N 3.28Å; I394-G396 PolarHBondContact O-N 3.11Å; G396-L398 PolarHBondContact O-N 2.86Å; G396-C399 WeakPolarHBondContact O-CB 3.44Å; G396-C399 PolarHBondContact O-N 3.19Å; G396-C400 PolarHBondContact O-N 3.46Å; G396-C400 PolarHBondContact O-SG 3.23Å; G396-C400 VanDerWaalsContact O-SG 3.34Å
397	G	96.8	Very high	96.1	Very high	35 Å²	35	55.5 Å²	55.5	36%	0.361	31%	0.307	S	S	.	.	H	α-helix	trans	-60.3	-44.4	175.2	0	0	0	0	0	112.7	K393 I394 C400 I401	K393-G397 PolarHBondContact O-N 3.24Å; I394-G397 PolarHBondContact O-N 2.76Å; G397-C400 PolarHBondContact O-N 3.29Å; G397-I401 WeakPolarHBondContact O-CG1 3.2Å; G397-I401 PolarHBondContact O-N 2.74Å; G397-I401 VanDerWaalsContact O-N 3.16Å
398	L	97.5	Very high	96	Very high	98 Å²	98	57.5 Å²	57.5	51%	0.513	33%	0.325	S	S	.	.	H	α-helix	trans	-64.3	-39.5	174.7	-66.4	172.3	0	0	0	112.1	F347 I394 V395 G396 I401 A402	F347-L398 HydrophobicContact CE1-CB 4.07Å; I394-L398 HydrophobicContact CG2-CD1 4.28Å; I394-L398 WeakPolarHBondContact O-CG 3.42Å; I394-L398 PolarHBondContact O-N 2.99Å; V395-L398 PolarHBondContact O-N 2.86Å; G396-L398 PolarHBondContact O-N 2.86Å; L398-I401 PolarHBondContact O-N 3.36Å; L398-A402 VanDerWaalsContact O-CB 3.26Å; L398-A402 WeakPolarHBondContact O-CB 3.29Å; L398-A402 PolarHBondContact O-N 2.79Å
399	C	97.8	Very high	95.8	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-61.7	-45.2	176.2	-174.6	0	0	0	0	111.9	F347 W372 T376 V395 G396 G403	F347-C399 HydrophobicContact CB-CB 4.13Å; F347-C399 HydrophobicContact CD1-CB 3.72Å; F347-C399 HydrophobicContact CD2-CB 4.15Å; F347-C399 HydrophobicContact CE1-CB 4.15Å; F347-C399 HydrophobicContact CG-CB 3.74Å; W372-C399 HydrophobicContact CH2-CB 4.18Å; T376-C399 HydrophobicContact CG2-CB 4.02Å; V395-C399 VanDerWaalsContact O-CB 3.22Å; V395-C399 WeakPolarHBondContact O-CB 3.31Å; V395-C399 PolarHBondContact O-N 2.8Å; G396-C399 WeakPolarHBondContact O-CB 3.44Å; G396-C399 PolarHBondContact O-N 3.19Å; C399-G403 PolarHBondContact O-N 2.9Å
400	C	96.6	Very high	95.5	Very high	57 Å²	57	59.2 Å²	59.2	39%	0.385	34%	0.336	S	S	.	.	H	α-helix	trans	-58.5	-50.5	174.4	-69.1	0	0	0	0	112	T376 G396 G397 G403 V404	T376-C400 VanDerWaalsContact CG2-SG 3.51Å; G396-C400 PolarHBondContact O-N 3.46Å; G396-C400 PolarHBondContact O-SG 3.23Å; G396-C400 VanDerWaalsContact O-SG 3.34Å; G397-C400 PolarHBondContact O-N 3.29Å; C400-G403 PolarHBondContact O-N 2.73Å; C400-V404 WeakPolarHBondContact O-CG2 3.3Å; C400-V404 PolarHBondContact O-N 2.65Å
401	I	96.8	Very high	95.3	Very high	108 Å²	108	56.3 Å²	56.3	55%	0.554	32%	0.32	S	S	*	.	H	α-helix	trans	-63.7	-46.3	-177.9	-65.7	165.7	0	0	0	110.5	G397 L398 V404 L405	G397-I401 WeakPolarHBondContact O-CG1 3.2Å; G397-I401 PolarHBondContact O-N 2.74Å; G397-I401 VanDerWaalsContact O-N 3.16Å; L398-I401 PolarHBondContact O-N 3.36Å; I401-V404 PolarHBondContact O-N 2.9Å; I401-L405 HydrophobicContact CG2-CD1 4.03Å; I401-L405 WeakPolarHBondContact O-CG 3.46Å; I401-L405 PolarHBondContact O-N 3.31Å; I401-L405 VanDerWaalsContact O-N 3.1Å
402	A	96.9	Very high	95.1	Very high	27 Å²	27	55 Å²	55	22%	0.223	32%	0.318	C	S	.	.	H	α-helix	trans	-64.6	-40	178.2	0	0	0	0	0	112.5	F347 L398 L405 V406	F347-A402 HydrophobicContact CE2-CB 3.57Å; F347-A402 HydrophobicContact CZ-CB 3.58Å; L398-A402 VanDerWaalsContact O-CB 3.26Å; L398-A402 WeakPolarHBondContact O-CB 3.29Å; L398-A402 PolarHBondContact O-N 2.79Å; A402-L405 PolarHBondContact O-N 2.86Å; A402-V406 WeakPolarHBondContact O-CB 3.33Å; A402-V406 VanDerWaalsContact O-CG2 3.29Å; A402-V406 WeakPolarHBondContact O-CG2 3.41Å; A402-V406 PolarHBondContact O-N 2.83Å
403	G	96.2	Very high	94.7	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-59.8	-49.5	175.8	0	0	0	0	0	112.8	M377 C399 C400 L405 V406 I407	M377-G403 CarbonylContact O-C 3.49Å; M377-G403 WeakPolarHBondContact O-CA 3.36Å; C399-G403 PolarHBondContact O-N 2.9Å; C400-G403 PolarHBondContact O-N 2.73Å; G403-L405 VanDerWaalsContact C-N 3.34Å; G403-L405 PolarHBondContact O-N 2.95Å; G403-V406 PolarHBondContact O-N 2.84Å; G403-I407 WeakPolarHBondContact O-CB 3.36Å; G403-I407 WeakPolarHBondContact O-CG1 3.46Å; G403-I407 PolarHBondContact O-N 3.24Å
404	V	96	Very high	94.3	Very high	77 Å²	77	54.4 Å²	54.4	47%	0.467	32%	0.319	S	S	.	.	H	α-helix	trans	-57.1	-46.7	175.4	171.5	0	0	0	0	111.1	T379 C400 I401 I407 A408	T379-V404 HydrophobicContact CG2-CG2 3.61Å; C400-V404 WeakPolarHBondContact O-CG2 3.3Å; C400-V404 PolarHBondContact O-N 2.65Å; I401-V404 PolarHBondContact O-N 2.9Å; V404-I407 PolarHBondContact O-N 3.16Å; V404-A408 WeakPolarHBondContact O-CB 3.36Å; V404-A408 PolarHBondContact O-N 3.06Å
405	L	95	Very high	93.9	Very high	103 Å²	103	54.1 Å²	54.1	54%	0.539	32%	0.321	S	S	.	.	H	α-helix	trans	-65.3	-45	179.8	-69.3	170.7	0	0	0	112.7	I401 A402 G403 I407 A408 L409	I401-L405 HydrophobicContact CG2-CD1 4.03Å; I401-L405 WeakPolarHBondContact O-CG 3.46Å; I401-L405 PolarHBondContact O-N 3.31Å; I401-L405 VanDerWaalsContact O-N 3.1Å; A402-L405 PolarHBondContact O-N 2.86Å; G403-L405 VanDerWaalsContact C-N 3.34Å; G403-L405 PolarHBondContact O-N 2.95Å; L405-I407 VanDerWaalsContact C-N 3.3Å; L405-I407 PolarHBondContact O-N 3.21Å; L405-A408 PolarHBondContact O-N 3.08Å; L405-L409 WeakPolarHBondContact O-CG 3.45Å; L405-L409 PolarHBondContact O-N 3.19Å
406	V	94.1	Very high	93.5	Very high	31 Å²	31	58.1 Å²	58.1	19%	0.188	34%	0.343	C	S	.	.	H	α-helix	trans	-62.1	-37.2	178.6	165.1	0	0	0	0	111.8	L336 F339 M377 A402 G403 P410	L336-V406 HydrophobicContact CD1-CG1 4.33Å; L336-V406 WeakPolarHBondContact CD1-O 3.33Å; F339-V406 HydrophobicContact CB-CG1 3.67Å; F339-V406 HydrophobicContact CB-CG2 4.38Å; M377-V406 HydrophobicContact CE-CB 4.48Å; A402-V406 WeakPolarHBondContact O-CB 3.33Å; A402-V406 VanDerWaalsContact O-CG2 3.29Å; A402-V406 WeakPolarHBondContact O-CG2 3.41Å; A402-V406 PolarHBondContact O-N 2.83Å; G403-V406 PolarHBondContact O-N 2.84Å; V406-P410 WeakPolarHBondContact O-CD 3.46Å
407	I	93.5	Very high	93	Very high	41 Å²	41	59.1 Å²	59.1	21%	0.21	35%	0.346	C	S	.	.	H	α-helix	trans	-79.6	-37.3	179.5	-68.1	174.9	0	0	0	111.6	L336 L340 M377 T378 G403 V404 L405 L409 I411	L336-I407 HydrophobicContact CD1-CG1 4.46Å; L340-I407 HydrophobicContact CD1-CD1 4.22Å; L340-I407 HydrophobicContact CD1-CG1 4.27Å; M377-I407 VanDerWaalsContact O-CD1 3.31Å; M377-I407 WeakPolarHBondContact O-CD1 3.43Å; T378-I407 HydrophobicContact CG2-CD1 4.18Å; G403-I407 WeakPolarHBondContact O-CB 3.36Å; G403-I407 WeakPolarHBondContact O-CG1 3.46Å; G403-I407 PolarHBondContact O-N 3.24Å; V404-I407 PolarHBondContact O-N 3.16Å; L405-I407 VanDerWaalsContact C-N 3.3Å; L405-I407 PolarHBondContact O-N 3.21Å; I407-L409 PolarHBondContact O-N 3.37Å; I407-I411 HydrophobicContact CG2-CD1 3.54Å; I407-I411 WeakPolarHBondContact O-CD1 3.45Å; I407-I411 WeakPolarHBondContact O-CG1 3.44Å
408	A	93.5	Very high	92.5	Very high	55 Å²	55	60.6 Å²	60.6	46%	0.455	34%	0.342	S	S	.	.	H	α-helix	trans	-70.7	-25.4	-176.1	0	0	0	0	0	114.5	V404 L405 P412	V404-A408 WeakPolarHBondContact O-CB 3.36Å; V404-A408 PolarHBondContact O-N 3.06Å; L405-A408 PolarHBondContact O-N 3.08Å; A408-P412 WeakPolarHBondContact O-CD 3.4Å; A408-P412 WeakPolarHBondContact O-CG 3.36Å
409	L	89	Confident	92	Very high	128 Å²	128	57.8 Å²	57.8	67%	0.67	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-46.9	-176.4	-68	167.5	0	0	0	114.1	L405 I407	L405-L409 WeakPolarHBondContact O-CG 3.45Å; L405-L409 PolarHBondContact O-N 3.19Å; I407-L409 PolarHBondContact O-N 3.37Å
410	P	88.5	Confident	91.3	Very high	9 Å²	9	61.6 Å²	61.6	6%	0.058	35%	0.349	C	S	.	.	H	α-helix	trans	-83.3	-25.3	-176.4	-17.2	35.6	0	0	0	113.9	L336 V406 I413 I414	L336-P410 HydrophobicContact CB-CB 4.1Å; L336-P410 HydrophobicContact CB-CG 3.97Å; L336-P410 HydrophobicContact CD1-CG 4.01Å; L336-P410 HydrophobicContact CG-CG 4.45Å; V406-P410 WeakPolarHBondContact O-CD 3.46Å; P410-I413 PolarHBondContact O-N 3.1Å; P410-I414 HydrophobicContact CB-CD1 4.48Å; P410-I414 WeakPolarHBondContact O-CG1 3.48Å; P410-I414 PolarHBondContact O-N 2.94Å
411	I	90.5	Very high	90.5	Very high	75 Å²	75	61.2 Å²	61.2	39%	0.385	34%	0.34	S	S	.	.	H	α-helix	trans	-58.5	-47.2	-177.1	-75.2	179.1	0	0	0	112.7	I407 I413 I414 V415	I407-I411 HydrophobicContact CG2-CD1 3.54Å; I407-I411 WeakPolarHBondContact O-CD1 3.45Å; I407-I411 WeakPolarHBondContact O-CG1 3.44Å; I411-I413 VanDerWaalsContact C-N 3.27Å; I411-I413 PolarHBondContact O-N 2.64Å; I411-I414 PolarHBondContact O-N 2.79Å; I411-V415 HydrophobicContact CG2-CG2 4.04Å; I411-V415 WeakPolarHBondContact O-CB 3.3Å; I411-V415 VanDerWaalsContact O-CG2 3.3Å; I411-V415 WeakPolarHBondContact O-CG2 3.34Å; I411-V415 PolarHBondContact O-N 3.14Å
412	P	91.8	Very high	89.9	Confident	78 Å²	78	60.2 Å²	60.2	51%	0.506	33%	0.331	S	S	.	.	H	α-helix	trans	-57.2	-36.5	176.3	-28	36.2	0	0	0	113.8	A408 V415 N416	A408-P412 WeakPolarHBondContact O-CD 3.4Å; A408-P412 WeakPolarHBondContact O-CG 3.36Å; P412-V415 PolarHBondContact O-N 3.29Å; P412-N416 WeakPolarHBondContact O-CB 3.44Å; P412-N416 PolarHBondContact O-N 3.38Å
413	I	88.5	Confident	89.2	Confident	76 Å²	76	65.1 Å²	65.1	39%	0.39	35%	0.347	S	S	.	.	H	α-helix	trans	-67.4	-47.3	177.2	-57.5	166.3	0	0	0	109.8	E332 P410 I411 V415 N416 N417	E332-I413 HydrophobicContact CG-CG2 3.91Å; P410-I413 PolarHBondContact O-N 3.1Å; I411-I413 VanDerWaalsContact C-N 3.27Å; I411-I413 PolarHBondContact O-N 2.64Å; I413-V415 VanDerWaalsContact C-N 3.33Å; I413-V415 PolarHBondContact O-N 3.35Å; I413-N416 PolarHBondContact O-N 3.05Å; I413-N417 WeakPolarHBondContact O-CB 3.26Å; I413-N417 VanDerWaalsContact O-CG 3.25Å; I413-N417 PolarHBondContact O-N 3Å; I413-N417 PolarHBondContact O-OD1 3.04Å
414	I	88.9	Confident	88.3	Confident	30 Å²	30	67.4 Å²	67.4	15%	0.154	36%	0.357	C	S	.	.	H	α-helix	trans	-61.9	-40.7	177.2	-64	166.3	0	0	0	111	E332 P410 I411 F418	E332-I414 HydrophobicContact CB-CG1 4.14Å; P410-I414 HydrophobicContact CB-CD1 4.48Å; P410-I414 WeakPolarHBondContact O-CG1 3.48Å; P410-I414 PolarHBondContact O-N 2.94Å; I411-I414 PolarHBondContact O-N 2.79Å; I414-F418 WeakPolarHBondContact O-CB 3.47Å; I414-F418 PolarHBondContact O-N 3.16Å
415	V	90.4	Very high	87.5	Confident	85 Å²	85	65 Å²	65	52%	0.515	34%	0.341	S	S	.	.	H	α-helix	trans	-69	-38.5	177.4	169.8	0	0	0	0	111.9	I411 P412 I413 F418 S419	I411-V415 HydrophobicContact CG2-CG2 4.04Å; I411-V415 WeakPolarHBondContact O-CB 3.3Å; I411-V415 VanDerWaalsContact O-CG2 3.3Å; I411-V415 WeakPolarHBondContact O-CG2 3.34Å; I411-V415 PolarHBondContact O-N 3.14Å; P412-V415 PolarHBondContact O-N 3.29Å; I413-V415 VanDerWaalsContact C-N 3.33Å; I413-V415 PolarHBondContact O-N 3.35Å; V415-F418 PolarHBondContact O-N 3.13Å; V415-S419 WeakPolarHBondContact O-CB 3.37Å; V415-S419 PolarHBondContact O-N 3.43Å
416	N	88.8	Confident	86.7	Confident	99 Å²	99	64.5 Å²	64.5	53%	0.529	34%	0.335	S	S	.	.	H	α-helix	trans	-65.5	-45.7	174.4	-173.3	60.4	0	0	0	111.3	P412 I413 F418 S419 E420	P412-N416 WeakPolarHBondContact O-CB 3.44Å; P412-N416 PolarHBondContact O-N 3.38Å; I413-N416 PolarHBondContact O-N 3.05Å; N416-F418 VanDerWaalsContact C-N 3.28Å; N416-F418 PolarHBondContact O-N 3.29Å; N416-S419 WeakPolarHBondContact O-CB 3.38Å; N416-S419 PolarHBondContact O-N 3.23Å; N416-S419 VanDerWaalsContact O-N 3.08Å; N416-E420 PolarHBondContact O-N 3.32Å
417	N	86.1	Confident	86	Confident	30 Å²	30	69.1 Å²	69.1	16%	0.16	35%	0.349	C	S	.	.	H	α-helix	trans	-60.7	-36.8	175	-68.3	-5.1	0	0	0	111.9	T325 S329 I413 F421	T325-N417 HydrophobicContact CG2-CB 4.16Å; S329-N417 WeakPolarHBondContact OG-CB 3.41Å; S329-N417 PolarHBondContact OG-ND2 2.78Å; I413-N417 WeakPolarHBondContact O-CB 3.26Å; I413-N417 VanDerWaalsContact O-CG 3.25Å; I413-N417 PolarHBondContact O-N 3Å; I413-N417 PolarHBondContact O-OD1 3.04Å; N417-F421 WeakPolarHBondContact O-CB 3.19Å; N417-F421 PolarHBondContact O-N 3.38Å
418	F	86.4	Confident	85	Confident	65 Å²	65	70.7 Å²	70.7	29%	0.285	36%	0.355	S	S	.	.	H	α-helix	trans	-65.3	-44.3	172	-177.2	-99.2	0	0	0	111.9	L322 T325 I414 V415 N416 F421 Y422	L322-F418 HydrophobicContact CB-CE2 4.21Å; L322-F418 HydrophobicContact CD1-CD2 4.39Å; L322-F418 HydrophobicContact CD1-CE2 4.34Å; T325-F418 HydrophobicContact CG2-CB 3.9Å; T325-F418 HydrophobicContact CG2-CD2 4.43Å; I414-F418 WeakPolarHBondContact O-CB 3.47Å; I414-F418 PolarHBondContact O-N 3.16Å; V415-F418 PolarHBondContact O-N 3.13Å; N416-F418 VanDerWaalsContact C-N 3.28Å; N416-F418 PolarHBondContact O-N 3.29Å; F418-F421 PolarHBondContact O-N 3.09Å; F418-Y422 WeakPolarHBondContact O-CB 3.35Å; F418-Y422 PolarHBondContact O-N 2.73Å
419	S	86.9	Confident	84.2	Confident	39 Å²	39	72 Å²	72	27%	0.273	35%	0.352	S	S	.	.	H	α-helix	trans	-61.9	-43.9	178.9	-169.4	0	0	0	0	111.4	V415 N416 K423	V415-S419 WeakPolarHBondContact O-CB 3.37Å; V415-S419 PolarHBondContact O-N 3.43Å; N416-S419 WeakPolarHBondContact O-CB 3.38Å; N416-S419 PolarHBondContact O-N 3.23Å; N416-S419 VanDerWaalsContact O-N 3.08Å; S419-K423 VanDerWaalsContact O-CB 3.3Å; S419-K423 WeakPolarHBondContact O-CB 3.27Å; S419-K423 VanDerWaalsContact O-CD 3.3Å; S419-K423 WeakPolarHBondContact O-CD 3.49Å; S419-K423 WeakPolarHBondContact O-CG 3.46Å; S419-K423 PolarHBondContact O-N 3.22Å; S419-K423 WeakPolarHBondContact OG-CE 3.46Å; S419-K423 PolarHBondContact OG-NZ 3.41Å
420	E	83.1	Confident	83.7	Confident	80 Å²	80	72.1 Å²	72.1	37%	0.374	35%	0.347	S	S	.	.	H	α-helix	trans	-59.6	-57	173.3	-168.1	-157	122.8	0	0	111.1	R328 N416 Y422 K423 E424	R328-E420 IonicContact CZ-OE1 2.74Å; R328-E420 IonicContact CZ-OE2 3.32Å; R328-E420 IonicContact NH1-OE1 2.6Å; R328-E420 PolarHBondContact NH1-OE1 3.35Å; R328-E420 IonicContact NH1-OE2 3.78Å; R328-E420 VanDerWaalsContact NH2-CD 3.32Å; R328-E420 IonicContact NH2-OE1 3.71Å; R328-E420 PolarHBondContact NH2-OE1 3.16Å; R328-E420 IonicContact NH2-OE2 2.74Å; R328-E420 PolarHBondContact NH2-OE2 3.29Å; N416-E420 PolarHBondContact O-N 3.32Å; E420-Y422 PolarHBondContact O-N 3.16Å; E420-K423 PolarHBondContact O-N 3.22Å; E420-E424 WeakPolarHBondContact O-CB 3.4Å; E420-E424 PolarHBondContact O-N 3.31Å
421	F	79.9	Confident	83	Confident	49 Å²	49	73.3 Å²	73.3	22%	0.215	36%	0.357	C	S	.	.	H	α-helix	trans	-64.5	-38.2	-176.7	-168.2	-86.4	0	0	0	112.6	F324 N417 F418 E424 Q425	F324-F421 HydrophobicContact CB-CD1 4.18Å; F324-F421 HydrophobicContact CB-CE1 3.56Å; F324-F421 HydrophobicContact CB-CE2 3.93Å; F324-F421 HydrophobicContact CB-CZ 3.41Å; F324-F421 VanDerWaalsContact CB-CZ 3.41Å; F324-F421 AromaticContact CD2-CE1 3.89Å; F324-F421 HydrophobicContact CD2-CE1 3.89Å; F324-F421 AromaticContact CD2-CZ 3.81Å; F324-F421 HydrophobicContact CD2-CZ 3.81Å; F324-F421 HydrophobicContact CG-CE1 4.04Å; F324-F421 HydrophobicContact CG-CE2 4.48Å; F324-F421 AromaticContact CG-CZ 3.7Å; F324-F421 HydrophobicContact CG-CZ 3.7Å; N417-F421 WeakPolarHBondContact O-CB 3.19Å; N417-F421 PolarHBondContact O-N 3.38Å; F418-F421 PolarHBondContact O-N 3.09Å; F421-E424 PolarHBondContact O-N 2.7Å; F421-Q425 HydrophobicContact CE1-CB 4.24Å; F421-Q425 WeakPolarHBondContact O-CB 3.3Å; F421-Q425 PolarHBondContact O-N 2.89Å
422	Y	82.9	Confident	82	Confident	88 Å²	88	72 Å²	72	35%	0.345	35%	0.351	S	S	.	.	H	α-helix	trans	-66.9	-40.9	176.5	178.4	-105.1	0	0	0	112	F418 E420 E424 K426	F418-Y422 WeakPolarHBondContact O-CB 3.35Å; F418-Y422 PolarHBondContact O-N 2.73Å; E420-Y422 PolarHBondContact O-N 3.16Å; Y422-E424 VanDerWaalsContact C-N 3.34Å; Y422-K426 HydrophobicContact CE1-CD 4.13Å; Y422-K426 WeakPolarHBondContact O-CB 3.29Å; Y422-K426 PolarHBondContact O-N 2.8Å; Y422-K426 VanDerWaalsContact O-N 3.12Å; Y422-K426 PolarHBondContact OH-NZ 3.45Å
423	K	82.9	Confident	81.4	Confident	130 Å²	130	73.3 Å²	73.3	57%	0.565	35%	0.349	S	S	*	.	H	α-helix	trans	-61.5	-44.5	172.3	-75.3	165	-174.3	168.7	0	110.7	S419 E420 K426 R427	S419-K423 VanDerWaalsContact O-CB 3.3Å; S419-K423 WeakPolarHBondContact O-CB 3.27Å; S419-K423 VanDerWaalsContact O-CD 3.3Å; S419-K423 WeakPolarHBondContact O-CD 3.49Å; S419-K423 WeakPolarHBondContact O-CG 3.46Å; S419-K423 PolarHBondContact O-N 3.22Å; S419-K423 WeakPolarHBondContact OG-CE 3.46Å; S419-K423 PolarHBondContact OG-NZ 3.41Å; E420-K423 PolarHBondContact O-N 3.22Å; K423-K426 CarbonylContact O-C 3.54Å; K423-K426 PolarHBondContact O-N 3.26Å; K423-R427 WeakPolarHBondContact O-CG 3.34Å; K423-R427 PolarHBondContact O-N 3.43Å
424	E	77.6	Confident	80.8	Confident	47 Å²	47	79 Å²	79	22%	0.22	37%	0.365	C	S	.	.	H	α-helix	trans	-69	-47.5	-177.3	-178.6	48.6	-147.7	0	0	112.4	E420 F421 Y422 K426 R427 Q428	E420-E424 WeakPolarHBondContact O-CB 3.4Å; E420-E424 PolarHBondContact O-N 3.31Å; F421-E424 PolarHBondContact O-N 2.7Å; Y422-E424 VanDerWaalsContact C-N 3.34Å; E424-K426 PolarHBondContact O-N 3.48Å; E424-R427 WeakPolarHBondContact O-CA 3.21Å; E424-R427 WeakPolarHBondContact O-CB 3.5Å; E424-R427 PolarHBondContact O-N 3.06Å; E424-R427 WeakPolarHBondContact OE2-CD 3.44Å; E424-R427 IonicContact OE2-CZ 3.38Å; E424-R427 IonicContact OE2-NE 2.8Å; E424-R427 IonicContact OE2-NH1 2.97Å; E424-R427 PolarHBondContact OE2-NH1 3.47Å; E424-Q428 WeakPolarHBondContact O-CG 3.34Å; E424-Q428 PolarHBondContact O-N 2.67Å; E424-Q428 WeakPolarHBondContact OE1-CG 3.26Å; E424-Q428 PolarHBondContact OE1-NE2 3.03Å
425	Q	77.9	Confident	80.1	Confident	28 Å²	28	82 Å²	82	13%	0.131	37%	0.374	C	S	.	.	H	α-helix	trans	-57.8	-35.2	173.3	-164.6	-177.4	25.7	0	0	111.5	T317 F421 Q428 E429	T317-Q425 HydrophobicContact CG2-CG 4.21Å; T317-Q425 PolarHBondContact O-OE1 3.13Å; F421-Q425 HydrophobicContact CE1-CB 4.24Å; F421-Q425 WeakPolarHBondContact O-CB 3.3Å; F421-Q425 PolarHBondContact O-N 2.89Å; Q425-Q428 PolarHBondContact O-N 3.3Å; Q425-E429 WeakPolarHBondContact O-CB 3.49Å; Q425-E429 PolarHBondContact O-N 3.19Å
426	K	79.6	Confident	79.3	Confident	92 Å²	92	80.3 Å²	80.3	40%	0.4	36%	0.361	S	S	.	.	H	α-helix	trans	-76.5	-25.8	175.6	-164.8	172.1	-169.6	169.8	0	113.4	Y422 K423 E424 K430	Y422-K426 HydrophobicContact CE1-CD 4.13Å; Y422-K426 WeakPolarHBondContact O-CB 3.29Å; Y422-K426 PolarHBondContact O-N 2.8Å; Y422-K426 VanDerWaalsContact O-N 3.12Å; Y422-K426 PolarHBondContact OH-NZ 3.45Å; K423-K426 CarbonylContact O-C 3.54Å; K423-K426 PolarHBondContact O-N 3.26Å; E424-K426 PolarHBondContact O-N 3.48Å; K426-K430 WeakPolarHBondContact O-CG 3.42Å; K426-K430 PolarHBondContact O-N 2.83Å
427	R	78.2	Confident	78.8	Confident	128 Å²	128	78.1 Å²	78.1	48%	0.483	36%	0.356	S	S	.	.	H	α-helix	trans	-67.5	-50.9	165.7	-75.2	172.9	76	-145.5	9.3	109.5	E149 K423 E424 E429 K430 A431	E149-R427 IonicContact OE2-CZ 2.77Å; E149-R427 IonicContact OE2-NH1 2.8Å; E149-R427 PolarHBondContact OE2-NH1 3.34Å; E149-R427 IonicContact OE2-NH2 2.68Å; E149-R427 PolarHBondContact OE2-NH2 3.01Å; K423-R427 WeakPolarHBondContact O-CG 3.34Å; K423-R427 PolarHBondContact O-N 3.43Å; E424-R427 WeakPolarHBondContact O-CA 3.21Å; E424-R427 WeakPolarHBondContact O-CB 3.5Å; E424-R427 PolarHBondContact O-N 3.06Å; E424-R427 WeakPolarHBondContact OE2-CD 3.44Å; E424-R427 IonicContact OE2-CZ 3.38Å; E424-R427 IonicContact OE2-NE 2.8Å; E424-R427 IonicContact OE2-NH1 2.97Å; E424-R427 PolarHBondContact OE2-NH1 3.47Å; R427-E429 PolarHBondContact O-N 3.46Å; R427-K430 CarbonylContact O-C 3.58Å; R427-K430 WeakPolarHBondContact O-CB 3.26Å; R427-K430 PolarHBondContact O-N 2.89Å; R427-K430 VanDerWaalsContact O-N 3.09Å; R427-A431 WeakPolarHBondContact O-CB 3.5Å; R427-A431 PolarHBondContact O-N 2.85Å
428	Q	74.4	Confident	78.4	Confident	74 Å²	74	81.3 Å²	81.3	35%	0.346	37%	0.373	S	S	.	.	H	α-helix	trans	-60	-41.2	179.2	-67.6	174.4	11.8	0	0	112.6	E424 Q425 K430 A431 L432	E424-Q428 WeakPolarHBondContact O-CG 3.34Å; E424-Q428 PolarHBondContact O-N 2.67Å; E424-Q428 WeakPolarHBondContact OE1-CG 3.26Å; E424-Q428 PolarHBondContact OE1-NE2 3.03Å; Q425-Q428 PolarHBondContact O-N 3.3Å; Q428-K430 VanDerWaalsContact C-N 3.32Å; Q428-K430 PolarHBondContact O-N 3.23Å; Q428-A431 PolarHBondContact O-N 3.41Å; Q428-L432 VanDerWaalsContact O-CB 3.27Å; Q428-L432 WeakPolarHBondContact O-CB 3.31Å; Q428-L432 PolarHBondContact O-N 3.16Å
429	E	74.9	Confident	77.8	Confident	81 Å²	81	81.1 Å²	81.1	38%	0.379	37%	0.373	S	S	.	.	H	α-helix	trans	-61.9	-39.1	174.9	-162.1	-161	154.8	0	0	112	Q425 R427 K433	Q425-E429 WeakPolarHBondContact O-CB 3.49Å; Q425-E429 PolarHBondContact O-N 3.19Å; R427-E429 PolarHBondContact O-N 3.46Å; E429-K433 VanDerWaalsContact O-CG 3.27Å; E429-K433 WeakPolarHBondContact O-CG 3.28Å; E429-K433 PolarHBondContact O-N 2.75Å; E429-K433 VanDerWaalsContact OE1-CE 3.29Å; E429-K433 WeakPolarHBondContact OE1-CE 3.07Å; E429-K433 IonicContact OE1-NZ 3.38Å; E429-K433 PolarHBondContact OE1-NZ 3.49Å
430	K	79.4	Confident	77.3	Confident	132 Å²	132	84.3 Å²	84.3	57%	0.574	38%	0.379	S	S	*	.	H	α-helix	trans	-70.9	-43.3	174.7	-73.3	176.2	176	-172.7	0	112.1	K426 R427 Q428 K433 R434	K426-K430 WeakPolarHBondContact O-CG 3.42Å; K426-K430 PolarHBondContact O-N 2.83Å; R427-K430 CarbonylContact O-C 3.58Å; R427-K430 WeakPolarHBondContact O-CB 3.26Å; R427-K430 PolarHBondContact O-N 2.89Å; R427-K430 VanDerWaalsContact O-N 3.09Å; Q428-K430 VanDerWaalsContact C-N 3.32Å; Q428-K430 PolarHBondContact O-N 3.23Å; K430-K433 PolarHBondContact O-N 2.89Å; K430-R434 WeakPolarHBondContact O-CG 3.43Å; K430-R434 PolarHBondContact O-N 3.49Å
431	A	72.9	Confident	77	Confident	33 Å²	33	81.8 Å²	81.8	27%	0.273	37%	0.372	S	S	.	.	H	α-helix	trans	-62.9	-43.3	178.5	0	0	0	0	0	111.2	R427 Q428 R434 R435	R427-A431 WeakPolarHBondContact O-CB 3.5Å; R427-A431 PolarHBondContact O-N 2.85Å; Q428-A431 PolarHBondContact O-N 3.41Å; A431-R434 CarbonylContact O-C 3.48Å; A431-R434 WeakPolarHBondContact O-CB 3.48Å; A431-R434 PolarHBondContact O-N 3.37Å; A431-R435 PolarHBondContact O-N 2.99Å
432	L	71.2	Confident	76.8	Confident	49 Å²	49	83.4 Å²	83.4	26%	0.257	38%	0.379	S	S	.	.	H	α-helix	trans	-60.1	-48.3	173.3	175.5	59.6	0	0	0	111.8	R160 Q428 R434 R435 E436	R160-L432 VanDerWaalsContact NH2-CD1 3.33Å; Q428-L432 VanDerWaalsContact O-CB 3.27Å; Q428-L432 WeakPolarHBondContact O-CB 3.31Å; Q428-L432 PolarHBondContact O-N 3.16Å; L432-R434 VanDerWaalsContact C-N 3.26Å; L432-R434 PolarHBondContact O-N 3.22Å; L432-R435 PolarHBondContact O-N 3.22Å; L432-E436 HydrophobicContact CD1-CG 4.04Å; L432-E436 HydrophobicContact CG-CG 4.49Å; L432-E436 WeakPolarHBondContact O-CG 3.37Å; L432-E436 PolarHBondContact O-N 3.44Å
433	K	77.8	Confident	76.4	Confident	105 Å²	105	87.1 Å²	87.1	46%	0.457	39%	0.392	S	S	.	.	H	α-helix	trans	-58.7	-38.6	176.2	-73.7	169.5	-172.7	173.4	0	111.9	E429 K430 A437	E429-K433 VanDerWaalsContact O-CG 3.27Å; E429-K433 WeakPolarHBondContact O-CG 3.28Å; E429-K433 PolarHBondContact O-N 2.75Å; E429-K433 VanDerWaalsContact OE1-CE 3.29Å; E429-K433 WeakPolarHBondContact OE1-CE 3.07Å; E429-K433 IonicContact OE1-NZ 3.38Å; E429-K433 PolarHBondContact OE1-NZ 3.49Å; K430-K433 PolarHBondContact O-N 2.89Å; K433-A437 WeakPolarHBondContact O-CB 3.5Å; K433-A437 PolarHBondContact O-N 3.32Å
434	R	76.6	Confident	76.1	Confident	194 Å²	194	87.1 Å²	87.1	73%	0.732	40%	0.398	S	S	*	.	H	α-helix	trans	-65	-49	172.7	-73.4	174.1	172.1	-176	-4.9	112.1	K430 A431 L432 E436 A437 L438	K430-R434 WeakPolarHBondContact O-CG 3.43Å; K430-R434 PolarHBondContact O-N 3.49Å; A431-R434 CarbonylContact O-C 3.48Å; A431-R434 WeakPolarHBondContact O-CB 3.48Å; A431-R434 PolarHBondContact O-N 3.37Å; L432-R434 VanDerWaalsContact C-N 3.26Å; L432-R434 PolarHBondContact O-N 3.22Å; R434-E436 VanDerWaalsContact C-N 3.34Å; R434-E436 PolarHBondContact O-N 3.2Å; R434-A437 PolarHBondContact O-N 2.94Å; R434-L438 WeakPolarHBondContact O-CB 3.18Å; R434-L438 PolarHBondContact O-N 2.91Å
435	R	73.4	Confident	75.6	Confident	93 Å²	93	87.8 Å²	87.8	35%	0.351	42%	0.418	S	S	.	.	H	α-helix	trans	-59.6	-42.2	176.7	-170	-174.3	-171.5	-126.6	13.1	111.4	L157 E161 A431 L432 L438 E439	L157-R435 VanDerWaalsContact CD2-CZ 3.42Å; L157-R435 VanDerWaalsContact CD2-NH1 3.27Å; E161-R435 IonicContact OE1-CZ 3.09Å; E161-R435 IonicContact OE1-NH1 2.79Å; E161-R435 PolarHBondContact OE1-NH1 2.95Å; E161-R435 IonicContact OE1-NH2 2.65Å; E161-R435 PolarHBondContact OE1-NH2 2.71Å; A431-R435 PolarHBondContact O-N 2.99Å; L432-R435 PolarHBondContact O-N 3.22Å; R435-L438 PolarHBondContact O-N 3.2Å; R435-E439 WeakPolarHBondContact O-CB 3.41Å; R435-E439 PolarHBondContact O-N 3.44Å
436	E	75.2	Confident	74.9	Confident	51 Å²	51	91 Å²	91	24%	0.238	44%	0.444	C	S	.	.	H	α-helix	trans	-68.3	-35.3	176.3	-67.7	-175.5	-168.7	0	0	112.9	L432 R434 R440	L432-E436 HydrophobicContact CD1-CG 4.04Å; L432-E436 HydrophobicContact CG-CG 4.49Å; L432-E436 WeakPolarHBondContact O-CG 3.37Å; L432-E436 PolarHBondContact O-N 3.44Å; R434-E436 VanDerWaalsContact C-N 3.34Å; R434-E436 PolarHBondContact O-N 3.2Å; E436-R440 VanDerWaalsContact C-NH1 3.27Å; E436-R440 VanDerWaalsContact O-CG 3.23Å; E436-R440 WeakPolarHBondContact O-CG 3.43Å; E436-R440 PolarHBondContact O-N 2.67Å; E436-R440 PolarHBondContact O-NH1 3.45Å; E436-R440 IonicContact OE2-CZ 3.8Å; E436-R440 IonicContact OE2-NH1 2.78Å; E436-R440 IonicContact OE2-NH2 2.72Å; E436-R440 PolarHBondContact OE2-NH2 2.81Å
437	A	77.8	Confident	73.8	Confident	52 Å²	52	90.1 Å²	90.1	43%	0.43	44%	0.443	S	S	.	.	H	α-helix	trans	-66.4	-42.6	172.9	0	0	0	0	0	111.2	K433 R434 R440 A441	K433-A437 WeakPolarHBondContact O-CB 3.5Å; K433-A437 PolarHBondContact O-N 3.32Å; R434-A437 PolarHBondContact O-N 2.94Å; A437-R440 WeakPolarHBondContact O-CB 3.35Å; A437-R440 PolarHBondContact O-N 2.95Å; A437-A441 PolarHBondContact O-N 2.8Å
438	L	77	Confident	72.4	Confident	97 Å²	97	90.3 Å²	90.3	51%	0.508	46%	0.458	S	S	.	.	H	α-helix	trans	-61.3	-46.5	175	-167.2	76.1	0	0	0	111.6	R434 R435 R440 A441 K442 I447	R434-L438 WeakPolarHBondContact O-CB 3.18Å; R434-L438 PolarHBondContact O-N 2.91Å; R435-L438 PolarHBondContact O-N 3.2Å; L438-R440 VanDerWaalsContact C-N 3.27Å; L438-R440 PolarHBondContact O-N 2.89Å; L438-A441 PolarHBondContact O-N 2.98Å; L438-A441 VanDerWaalsContact O-N 3.17Å; L438-K442 VanDerWaalsContact O-CB 3.26Å; L438-K442 WeakPolarHBondContact O-CB 3.34Å; L438-K442 PolarHBondContact O-N 3.26Å; L438-I447 HydrophobicContact CD1-CD1 3.5Å; L438-I447 VanDerWaalsContact CD1-CD1 3.5Å; L438-I447 HydrophobicContact CG-CD1 4.46Å
439	E	73.3	Confident	71	Confident	61 Å²	61	90.6 Å²	90.6	29%	0.285	47%	0.468	S	S	.	.	H	α-helix	trans	-68.8	-21.7	175.9	-78.2	-64.9	149.2	0	0	113.1	R435 K442 R443	R435-E439 WeakPolarHBondContact O-CB 3.41Å; R435-E439 PolarHBondContact O-N 3.44Å; E439-K442 WeakPolarHBondContact OE1-CD 3.4Å; E439-K442 IonicContact OE1-NZ 2.91Å; E439-K442 PolarHBondContact OE1-NZ 3.12Å; E439-K442 WeakPolarHBondContact OE2-CD 3.36Å; E439-K442 IonicContact OE2-NZ 3.74Å; E439-K442 PolarHBondContact OE2-NZ 2.71Å; E439-R443 WeakPolarHBondContact O-CB 3.38Å; E439-R443 WeakPolarHBondContact O-CG 3.49Å; E439-R443 VanDerWaalsContact O-CZ 3.24Å; E439-R443 PolarHBondContact O-N 3.45Å; E439-R443 PolarHBondContact O-NE 3.02Å; E439-R443 PolarHBondContact O-NH2 3.09Å
440	R	77.1	Confident	69.9	Low	107 Å²	107	94.8 Å²	94.8	40%	0.404	49%	0.489	S	S	.	.	H	α-helix	trans	-72.5	-49.2	166.1	-72.4	169.2	-166	106.3	5.3	110.3	E436 A437 L438 K442 R443 N444	E436-R440 VanDerWaalsContact C-NH1 3.27Å; E436-R440 VanDerWaalsContact O-CG 3.23Å; E436-R440 WeakPolarHBondContact O-CG 3.43Å; E436-R440 PolarHBondContact O-N 2.67Å; E436-R440 PolarHBondContact O-NH1 3.45Å; E436-R440 IonicContact OE2-CZ 3.8Å; E436-R440 IonicContact OE2-NH1 2.78Å; E436-R440 IonicContact OE2-NH2 2.72Å; E436-R440 PolarHBondContact OE2-NH2 2.81Å; A437-R440 WeakPolarHBondContact O-CB 3.35Å; A437-R440 PolarHBondContact O-N 2.95Å; L438-R440 VanDerWaalsContact C-N 3.27Å; L438-R440 PolarHBondContact O-N 2.89Å; R440-K442 PolarHBondContact O-N 2.99Å; R440-R443 PolarHBondContact O-N 2.91Å; R440-N444 WeakPolarHBondContact O-CB 3.22Å; R440-N444 PolarHBondContact O-N 3.18Å; R440-N444 PolarHBondContact O-OD1 3.09Å
441	A	77.8	Confident	68.2	Low	26 Å²	26	93 Å²	93	22%	0.215	49%	0.486	C	S	.	.	H	α-helix	trans	-60.6	-42.3	179.3	0	0	0	0	0	113.1	A437 L438 N444 G445 S446 I447	A437-A441 PolarHBondContact O-N 2.8Å; L438-A441 PolarHBondContact O-N 2.98Å; L438-A441 VanDerWaalsContact O-N 3.17Å; A441-N444 CarbonylContact O-C 3.55Å; A441-N444 PolarHBondContact O-N 2.83Å; A441-G445 PolarHBondContact O-N 3.19Å; A441-S446 WeakPolarHBondContact O-CB 3.47Å; A441-S446 PolarHBondContact O-N 2.93Å; A441-I447 HydrophobicContact CB-CD1 3.71Å; A441-I447 HydrophobicContact CB-CG1 4.09Å
442	K	75.9	Confident	67.2	Low	83 Å²	83	97 Å²	97	36%	0.361	50%	0.502	S	S	.	.	H	α-helix	trans	-60.2	-47.7	174.1	-173.5	-163.5	-173.1	-169.8	0	112.3	L438 E439 R440 N444 G445	L438-K442 VanDerWaalsContact O-CB 3.26Å; L438-K442 WeakPolarHBondContact O-CB 3.34Å; L438-K442 PolarHBondContact O-N 3.26Å; E439-K442 WeakPolarHBondContact OE1-CD 3.4Å; E439-K442 IonicContact OE1-NZ 2.91Å; E439-K442 PolarHBondContact OE1-NZ 3.12Å; E439-K442 WeakPolarHBondContact OE2-CD 3.36Å; E439-K442 IonicContact OE2-NZ 3.74Å; E439-K442 PolarHBondContact OE2-NZ 2.71Å; R440-K442 PolarHBondContact O-N 2.99Å; K442-N444 VanDerWaalsContact C-N 3.26Å; K442-N444 PolarHBondContact O-N 2.91Å; K442-G445 PolarHBondContact O-N 3.35Å
443	R	73.7	Confident	65.9	Low	166 Å²	166	102.9 Å²	102.9	63%	0.626	53%	0.526	S	S	*	.	H	α-helix	trans	-66.9	-26.1	174.5	-81.3	179.4	-71.5	113.7	-1.3	113.5	E439 R440 G445	E439-R443 WeakPolarHBondContact O-CB 3.38Å; E439-R443 WeakPolarHBondContact O-CG 3.49Å; E439-R443 VanDerWaalsContact O-CZ 3.24Å; E439-R443 PolarHBondContact O-N 3.45Å; E439-R443 PolarHBondContact O-NE 3.02Å; E439-R443 PolarHBondContact O-NH2 3.09Å; R440-R443 PolarHBondContact O-N 2.91Å; R443-G445 PolarHBondContact O-N 2.92Å
444	N	75.9	Confident	64.3	Low	130 Å²	130	102.6 Å²	102.6	70%	0.695	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	5.9	172.7	-64.8	4.8	0	0	0	112.9	R440 A441 K442 S446	R440-N444 WeakPolarHBondContact O-CB 3.22Å; R440-N444 PolarHBondContact O-N 3.18Å; R440-N444 PolarHBondContact O-OD1 3.09Å; A441-N444 CarbonylContact O-C 3.55Å; A441-N444 PolarHBondContact O-N 2.83Å; K442-N444 VanDerWaalsContact C-N 3.26Å; K442-N444 PolarHBondContact O-N 2.91Å; N444-S446 PolarHBondContact O-N 3.42Å; N444-S446 VanDerWaalsContact O-N 3.14Å
445	G	67.7	Low	62.7	Low	62 Å²	62	96.4 Å²	96.4	64%	0.639	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	0.9	-179.3	0	0	0	0	0	115.2	A441 K442 R443 I447	A441-G445 PolarHBondContact O-N 3.19Å; K442-G445 PolarHBondContact O-N 3.35Å; R443-G445 PolarHBondContact O-N 2.92Å; G445-I447 PolarHBondContact O-N 3.39Å
446	S	63.5	Low	61.3	Low	95 Å²	95	97 Å²	97	66%	0.664	52%	0.522	S	S	*	.	S	Bend	trans	-74.9	-7.5	-174.8	-174.8	0	0	0	0	113.9	A441 N444	A441-S446 WeakPolarHBondContact O-CB 3.47Å; A441-S446 PolarHBondContact O-N 2.93Å; N444-S446 PolarHBondContact O-N 3.42Å; N444-S446 VanDerWaalsContact O-N 3.14Å
447	I	55.3	Low	59.8	Low	74 Å²	74	96.7 Å²	96.7	38%	0.379	53%	0.528	S	S	.	.	S	Bend	trans	-140.1	117.3	177.9	-56.4	178.5	0	0	0	107	L438 A441 G445 S449	L438-I447 HydrophobicContact CD1-CD1 3.5Å; L438-I447 VanDerWaalsContact CD1-CD1 3.5Å; L438-I447 HydrophobicContact CG-CD1 4.46Å; A441-I447 HydrophobicContact CB-CD1 3.71Å; A441-I447 HydrophobicContact CB-CG1 4.09Å; G445-I447 PolarHBondContact O-N 3.39Å; I447-S449 PolarHBondContact O-N 3.45Å
448	V	49.4	Very low	58.1	Low	132 Å²	132	102 Å²	102	80%	0.8	54%	0.537	S	S	*	.			trans	-62.8	119.6	171.7	176.8	0	0	0	0	108.2	M450	V448-M450 PolarHBondContact O-N 3.06Å
449	S	45.9	Very low	56.5	Low	80 Å²	80	100.3 Å²	100.3	56%	0.559	53%	0.533	S	S	*	.			trans	-76.5	88.4	179.7	58.7	0	0	0	0	110.8	I447 N451	I447-S449 PolarHBondContact O-N 3.45Å; S449-N451 PolarHBondContact O-N 3.31Å
450	M	51	Low	54.9	Low	168 Å²	168	100.4 Å²	100.4	83%	0.828	54%	0.544	S	S	*	.			trans	-53.9	137.1	160.4	-65.8	-174.9	76.7	0	0	108.9	V448 L452	V448-M450 PolarHBondContact O-N 3.06Å; M450-L452 PolarHBondContact O-N 3.42Å
451	N	43.6	Very low	53.3	Low	95 Å²	95	101.5 Å²	101.5	51%	0.508	55%	0.554	S	S	.	*			trans	-79.7	68.6	-166.1	-164.9	18	0	0	0	112.7	S449 K453 E454	S449-N451 PolarHBondContact O-N 3.31Å; N451-K453 PolarHBondContact O-N 3.1Å; N451-E454 PolarHBondContact ND2-OE2 2.89Å; N451-E454 PolarHBondContact O-N 3.27Å
452	L	52.3	Low	51.8	Low	116 Å²	116	105.9 Å²	105.9	61%	0.607	57%	0.573	S	S	*	*	H	α-helix	trans	-51.9	-23.9	-179.1	-141.2	77.6	0	0	0	113.2	M450 E454 A455 F456	M450-L452 PolarHBondContact O-N 3.42Å; L452-E454 VanDerWaalsContact C-N 3.3Å; L452-E454 PolarHBondContact O-N 3.4Å; L452-A455 PolarHBondContact O-N 2.95Å; L452-F456 HydrophobicContact CD2-CD2 4.23Å; L452-F456 HydrophobicContact CD2-CE2 3.87Å; L452-F456 HydrophobicContact CG-CD2 4.06Å; L452-F456 HydrophobicContact CG-CE2 4Å; L452-F456 WeakPolarHBondContact O-CD2 3.48Å; L452-F456 PolarHBondContact O-N 2.86Å; L452-F456 VanDerWaalsContact O-N 3.16Å
453	K	44	Very low	50.3	Low	174 Å²	174	107.1 Å²	107.1	76%	0.757	58%	0.581	S	S	*	*	H	α-helix	trans	-64.3	-30.3	178.2	-158	175.4	-176.7	-176.9	0	113	N451 A457	N451-K453 PolarHBondContact O-N 3.1Å; K453-A457 WeakPolarHBondContact O-CB 3.36Å; K453-A457 PolarHBondContact O-N 2.84Å; K453-A457 VanDerWaalsContact O-N 3.12Å
454	E	44.7	Very low	48.6	Very low	99 Å²	99	105.2 Å²	105.2	46%	0.463	58%	0.583	S	S	.	*	H	α-helix	trans	-76.1	-36.1	174.2	-78.1	-179.9	82.6	0	0	112.8	N451 L452 R458	N451-E454 PolarHBondContact ND2-OE2 2.89Å; N451-E454 PolarHBondContact O-N 3.27Å; L452-E454 VanDerWaalsContact C-N 3.3Å; L452-E454 PolarHBondContact O-N 3.4Å; E454-R458 WeakPolarHBondContact O-CG 3.26Å; E454-R458 PolarHBondContact O-N 2.8Å; E454-R458 IonicContact OE1-NH2 2.66Å; E454-R458 PolarHBondContact OE1-NH2 2.74Å
455	A	42.7	Very low	47.1	Very low	64 Å²	64	104.1 Å²	104.1	53%	0.529	58%	0.576	S	S	.	*	H	α-helix	trans	-64.8	-41.1	176.9	0	0	0	0	0	111.7	L452	L452-A455 PolarHBondContact O-N 2.95Å
456	F	44	Very low	45.9	Very low	106 Å²	106	106 Å²	106	47%	0.465	58%	0.575	S	S	.	*	H	α-helix	trans	-81.5	-23.8	179.1	-81.7	-73	0	0	0	114.9	L150 L452 S459 A460	L150-F456 HydrophobicContact CD2-CE1 3.98Å; L150-F456 HydrophobicContact CD2-CZ 4.47Å; L452-F456 HydrophobicContact CD2-CD2 4.23Å; L452-F456 HydrophobicContact CD2-CE2 3.87Å; L452-F456 HydrophobicContact CG-CD2 4.06Å; L452-F456 HydrophobicContact CG-CE2 4Å; L452-F456 WeakPolarHBondContact O-CD2 3.48Å; L452-F456 PolarHBondContact O-N 2.86Å; L452-F456 VanDerWaalsContact O-N 3.16Å; F456-S459 PolarHBondContact O-OG 3.11Å; F456-A460 PolarHBondContact O-N 3.33Å
457	A	43.6	Very low	44.8	Very low	43 Å²	43	106.8 Å²	106.8	36%	0.355	58%	0.576	S	S	.	*	H	α-helix	trans	-64.6	-48.2	172.7	0	0	0	0	0	111	K453 S459 A460 E461	K453-A457 WeakPolarHBondContact O-CB 3.36Å; K453-A457 PolarHBondContact O-N 2.84Å; K453-A457 VanDerWaalsContact O-N 3.12Å; A457-S459 VanDerWaalsContact C-N 3.33Å; A457-S459 PolarHBondContact O-N 2.82Å; A457-A460 PolarHBondContact O-N 3.23Å; A457-E461 PolarHBondContact O-N 2.95Å
458	R	42.2	Very low	43.8	Very low	165 Å²	165	112 Å²	112	62%	0.623	60%	0.599	S	S	*	*	H	α-helix	trans	-63.6	-33.2	-176.6	-66.3	177.5	-168.4	165.4	9.7	113.5	E454 L462	E454-R458 WeakPolarHBondContact O-CG 3.26Å; E454-R458 PolarHBondContact O-N 2.8Å; E454-R458 IonicContact OE1-NH2 2.66Å; E454-R458 PolarHBondContact OE1-NH2 2.74Å; R458-L462 WeakPolarHBondContact O-CB 3.07Å; R458-L462 PolarHBondContact O-N 2.98Å
459	S	42.2	Very low	43.1	Very low	61 Å²	61	114.3 Å²	114.3	43%	0.427	60%	0.598	S	S	.	*	H	α-helix	trans	-78	-30.5	176.4	56	0	0	0	0	113.4	F456 A457	F456-S459 PolarHBondContact O-OG 3.11Å; A457-S459 VanDerWaalsContact C-N 3.33Å; A457-S459 PolarHBondContact O-N 2.82Å
460	A	40.5	Very low	42.4	Very low	62 Å²	62	115.3 Å²	115.3	51%	0.512	61%	0.605	S	S	.	*	H	α-helix	trans	-70.5	-46.6	174.5	0	0	0	0	0	112	F456 A457 L462 M463	F456-A460 PolarHBondContact O-N 3.33Å; A457-A460 PolarHBondContact O-N 3.23Å; A460-L462 VanDerWaalsContact C-N 3.31Å; A460-L462 PolarHBondContact O-N 3.49Å; A460-M463 PolarHBondContact O-N 3.35Å
461	E	42.3	Very low	41.5	Very low	131 Å²	131	115.8 Å²	115.8	61%	0.612	61%	0.605	S	S	*	*	H	α-helix	trans	-63.4	-36.3	178.6	-69.6	176.7	152.6	0	0	112.1	A457 M463 I465	A457-E461 PolarHBondContact O-N 2.95Å; E461-M463 VanDerWaalsContact C-N 3.32Å; E461-M463 PolarHBondContact O-N 2.97Å; E461-I465 WeakPolarHBondContact O-CD1 3.35Å; E461-I465 VanDerWaalsContact O-CG1 3.32Å; E461-I465 WeakPolarHBondContact O-CG1 3.48Å; E461-I465 PolarHBondContact O-N 3.17Å
462	L	46.7	Very low	40.7	Very low	117 Å²	117	122.9 Å²	122.9	61%	0.613	63%	0.625	S	S	*	*	H	α-helix	trans	-66	-32.4	178.5	-164	70.6	0	0	0	112.8	R458 A460 V466	R458-L462 WeakPolarHBondContact O-CB 3.07Å; R458-L462 PolarHBondContact O-N 2.98Å; A460-L462 VanDerWaalsContact C-N 3.31Å; A460-L462 PolarHBondContact O-N 3.49Å; L462-V466 WeakPolarHBondContact O-CG2 3.47Å; L462-V466 PolarHBondContact O-N 3.33Å
463	M	45.8	Very low	39.8	Very low	110 Å²	110	122.7 Å²	122.7	54%	0.542	63%	0.631	S	S	.	*	H	α-helix	trans	-70.8	-43.7	178.6	-93.2	-178.4	57.2	0	0	113.2	A460 E461 I465 V466 V467	A460-M463 PolarHBondContact O-N 3.35Å; E461-M463 VanDerWaalsContact C-N 3.32Å; E461-M463 PolarHBondContact O-N 2.97Å; M463-I465 VanDerWaalsContact C-N 3.32Å; M463-I465 PolarHBondContact O-N 3.08Å; M463-V466 PolarHBondContact O-N 3.19Å; M463-V467 PolarHBondContact O-N 3.2Å
464	D	37	Very low	39	Very low	126 Å²	126	122.2 Å²	122.2	67%	0.674	63%	0.631	S	S	*	*	H	α-helix	trans	-62.3	-41.2	178.7	-98.5	-6.8	0	0	0	111.4	V466 V467 E468	D464-V466 PolarHBondContact O-N 3.18Å; D464-V467 PolarHBondContact O-N 2.72Å; D464-V467 VanDerWaalsContact O-N 3.13Å; D464-E468 PolarHBondContact O-N 2.98Å; D464-E468 VanDerWaalsContact O-N 3.16Å
465	I	44.9	Very low	38.2	Very low	106 Å²	106	123.4 Å²	123.4	54%	0.544	64%	0.64	S	S	.	*	H	α-helix	trans	-62.1	-30	178.3	-66.1	167.4	0	0	0	112.1	E461 M463 K469	E461-I465 WeakPolarHBondContact O-CD1 3.35Å; E461-I465 VanDerWaalsContact O-CG1 3.32Å; E461-I465 WeakPolarHBondContact O-CG1 3.48Å; E461-I465 PolarHBondContact O-N 3.17Å; M463-I465 VanDerWaalsContact C-N 3.32Å; M463-I465 PolarHBondContact O-N 3.08Å; I465-K469 WeakPolarHBondContact O-CB 3.47Å
466	V	43.1	Very low	37.6	Very low	101 Å²	101	126.8 Å²	126.8	61%	0.612	65%	0.649	S	S	*	*	H	α-helix	trans	-75.9	-33.5	177	169.9	0	0	0	0	111.7	L462 M463 D464	L462-V466 WeakPolarHBondContact O-CG2 3.47Å; L462-V466 PolarHBondContact O-N 3.33Å; M463-V466 PolarHBondContact O-N 3.19Å; D464-V466 PolarHBondContact O-N 3.18Å
467	V	39.9	Very low	36.9	Very low	113 Å²	113	129.6 Å²	129.6	69%	0.685	66%	0.664	S	S	*	*	H	α-helix	trans	-71.6	-44.3	178	-179.3	0	0	0	0	111.5	M463 D464 K469	M463-V467 PolarHBondContact O-N 3.2Å; D464-V467 PolarHBondContact O-N 2.72Å; D464-V467 VanDerWaalsContact O-N 3.13Å; V467-K469 PolarHBondContact O-N 3.09Å
468	E	33.6	Very low	36.2	Very low	184 Å²	184	135.3 Å²	135.3	86%	0.86	69%	0.687	S	S	*	*	H	α-helix	trans	-66.2	-20.1	-178.5	-111.1	-164.6	162.5	0	0	114.2	D464	D464-E468 PolarHBondContact O-N 2.98Å; D464-E468 VanDerWaalsContact O-N 3.16Å
469	K	34.9	Very low	35.5	Very low	179 Å²	179	132.8 Å²	132.8	78%	0.778	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-4.1	-169.9	-156.9	171.6	-178.7	-178.3	0	114.8	I465 V467	I465-K469 WeakPolarHBondContact O-CB 3.47Å; V467-K469 PolarHBondContact O-N 3.09Å
470	S	31	Very low	35.6	Very low	101 Å²	101	135.8 Å²	135.8	71%	0.706	71%	0.713	S	S	*	*	S	Bend	trans	-92.2	-1.9	-167.6	-158.3	0	0	0	0	116.2
471	E	31.7	Very low	35	Very low	179 Å²	179	138.5 Å²	138.5	84%	0.836	73%	0.728	S	S	*	*			trans	-130.7	72.8	-175.4	-68.7	-161.1	153.5	0	0	115.2
472	R	27.6	Very low	34.2	Very low	243 Å²	243	139.8 Å²	139.8	92%	0.917	73%	0.734	S	S	*	*			trans	-154.6	131.8	146.6	-64.2	-164.3	-170.4	-176.8	5.6	111.7
473	P	32.5	Very low	33.2	Very low	113 Å²	113	145.8 Å²	145.8	73%	0.734	75%	0.749	S	S	*	*			trans	-102.4	170.6	169	39.7	-34.3	0	0	0	113.3
474	H	28.9	Very low	32.1	Very low	163 Å²	163	148.4 Å²	148.4	76%	0.755	76%	0.757	S	S	*	*			trans	97.1	116.8	166.6	-68.5	32.8	0	0	0	120
475	D	27.2	Very low	31.6	Very low	125 Å²	125	153.6 Å²	153.6	67%	0.668	77%	0.767	S	S	*	*				73.6	109.2	126.8	-52.4	-13.8	0	0	0	123.7
476	N	30.5	Very low	30.6	Very low	135 Å²	135	152.4 Å²	152.4	72%	0.722	77%	0.773	S	S	*	*			trans	26.8	115.7	132.4	-55.2	-27.2	0	0	0	119.8
477	H	29	Very low	29.7	Very low	165 Å²	165	152.6 Å²	152.6	76%	0.764	78%	0.779	S	S	*	*				176.1	137.7	94.6	-99	-77.4	0	0	0	113.8
478	L	28.7	Very low	29	Very low	162 Å²	162	156.4 Å²	156.4	85%	0.848	79%	0.786	S	S	*	*			trans	61.8	144.7	151.2	-61.7	169.8	0	0	0	121
479	S	27.6	Very low	28.6	Very low	113 Å²	113	159.7 Å²	159.7	79%	0.79	79%	0.791	S	S	*	*			trans	-112.7	-174.8	-176.7	-53.9	0	0	0	0	110.7
480	P	44.7	Very low	28.2	Very low	123 Å²	123	155.5 Å²	155.5	80%	0.799	79%	0.79	S	S	*	*				-133.1	153.1	-60.1	35.8	-21.4	0	0	0	112.8
481	S	26.7	Very low	28.1	Very low	119 Å²	119	155.3 Å²	155.3	83%	0.832	79%	0.794	S	S	*	*			trans	-156.1	130.5	158.4	63.1	0	0	0	0	116.3
482	H	26.8	Very low	27.8	Very low	158 Å²	158	152 Å²	152	73%	0.731	79%	0.791	S	S	*	*			trans	46.1	112.5	137.7	-168.8	-87.9	0	0	0	120.5
483	W	24.9	Very low	27.9	Very low	244 Å²	244	149.4 Å²	149.4	92%	0.924	79%	0.789	S	S	*	*			trans	-126.7	134.1	157.7	63	-71.8	0	0	0	111.6
484	K	22.6	Very low	27.6	Very low	165 Å²	165	151.3 Å²	151.3	72%	0.717	80%	0.799	S	S	*	*			trans	-137.6	119.5	171.3	-115.7	-175.5	-179.5	179.3	0	109.6
485	W	26.1	Very low	27.5	Very low	235 Å²	235	148.9 Å²	148.9	89%	0.89	80%	0.801	S	S	*	*			trans	59.6	130.7	158.1	-107.3	-42.4	0	0	0	122.1
486	A	25.1	Very low	27.5	Very low	81 Å²	81	148.7 Å²	148.7	67%	0.669	81%	0.809	S	S	*	*				90.1	119.1	124.2	0	0	0	0	0	121.6
487	S	24.7	Very low	27.4	Very low	105 Å²	105	149.8 Å²	149.8	73%	0.734	82%	0.815	S	S	*	*				101.5	146	123.9	-130.2	0	0	0	0	120.4
488	K	25.2	Very low	27.3	Very low	193 Å²	193	154.1 Å²	154.1	84%	0.839	82%	0.824	S	S	*	*			trans	64.2	122.7	159.4	-65	170.4	-174.4	178.7	0	118.7
489	R	25.4	Very low	27.1	Very low	252 Å²	252	151 Å²	151	95%	0.951	82%	0.816	S	S	*	*			trans	-136.5	117.2	136.4	-151.5	179.2	-64	173	1.5	110.3
490	A	25.2	Very low	27	Very low	92 Å²	92	154.7 Å²	154.7	76%	0.76	82%	0.818	S	S	*	*			trans	-126.3	165.8	166.5	0	0	0	0	0	105.9
491	A	28.1	Very low	26.1	Very low	96 Å²	96	156 Å²	156	79%	0.793	82%	0.819	S	S	*	*			cis	-166	149.7	-28.3	0	0	0	0	0	107.1
492	S	26.9	Very low	25.9	Very low	111 Å²	111	154.7 Å²	154.7	78%	0.776	82%	0.815	S	S	*	*			trans	-170.7	98.4	168.6	53.7	0	0	0	0	107.8
493	E	28.5	Very low	25.9	Very low	187 Å²	187	156 Å²	156	87%	0.874	82%	0.821	S	S	*	*				71.8	110.8	81	-73.3	-163	166.6	0	0	115.2
494	T	27.3	Very low	25.9	Very low	154 Å²	154	153.3 Å²	153.3	95%	0.945	82%	0.819	S	S	*	*				-159.9	152.5	128.1	11.8	0	0	0	0	108
495	S	27.2	Very low	26.2	Very low	112 Å²	112	153.1 Å²	153.1	78%	0.783	82%	0.824	S	S	*	*			trans	-124.6	151.9	-160.3	59.4	0	0	0	0	114.2
496	S	27.1	Very low	26.1	Very low	121 Å²	121	145.6 Å²	145.6	85%	0.846	82%	0.819	S	S	*	*			trans	-153.2	137.1	146.5	62.7	0	0	0	0	110
497	N	27.8	Very low	26.1	Very low	157 Å²	157	147.3 Å²	147.3	84%	0.84	83%	0.826	S	S	*	*			trans	-99.2	147	-168.7	-70.5	-32.9	0	0	0	113
498	R	25.8	Very low	26.9	Very low	257 Å²	257	147.4 Å²	147.4	97%	0.97	83%	0.825	S	S	*	*			trans	-151.8	134.6	137.8	-115.8	175.5	-176.2	-175.4	0.4	111
499	S	25.3	Very low	26.8	Very low	97 Å²	97	144.5 Å²	144.5	68%	0.678	83%	0.827	S	S	*	*			trans	-118.8	-168.3	-177.3	56.4	0	0	0	0	110.9
500	F	25.3	Very low	27	Very low	190 Å²	190	142.6 Å²	142.6	83%	0.833	83%	0.826	S	S	*	*			trans	84.1	132.2	-169.2	-60.7	-71.1	0	0	0	114.5
501	N	25.3	Very low	27	Very low	151 Å²	151	143 Å²	143	81%	0.807	83%	0.829	S	S	*	*			cis	-151	161.1	-11.5	-146.9	12.7	0	0	0	110.8
502	A	24.2	Very low	26.9	Very low	91 Å²	91	149.7 Å²	149.7	75%	0.752	83%	0.834	S	S	*	*			trans	-111.8	145.5	174.6	0	0	0	0	0	111.3
503	Q	25.1	Very low	26.8	Very low	184 Å²	184	152.5 Å²	152.5	86%	0.86	84%	0.84	S	S	*	*			trans	-152.2	121.1	169.4	-168.7	165.8	5.7	0	0	110.4
504	E	26.5	Very low	26.8	Very low	189 Å²	189	149.6 Å²	149.6	88%	0.883	84%	0.835	S	S	*	*			trans	-95.4	139.6	177.4	-58.3	179.3	118.8	0	0	111.3
505	I	27.6	Very low	26.8	Very low	161 Å²	161	147.2 Å²	147.2	83%	0.826	83%	0.825	S	S	*	*			trans	-148.1	130.8	153.8	-57.9	-175.7	0	0	0	109.5
506	G	24.2	Very low	27.1	Very low	76 Å²	76	147.8 Å²	147.8	78%	0.784	83%	0.826	S	S	*	*			trans	94.7	98.6	145.3	0	0	0	0	0	119.2
507	S	24.9	Very low	27.4	Very low	117 Å²	117	151 Å²	151	82%	0.818	83%	0.827	S	S	*	*			trans	-98.9	179.4	151.2	-138.2	0	0	0	0	108.7
508	P	41.9	Very low	27.7	Very low	108 Å²	108	155.4 Å²	155.4	70%	0.701	83%	0.832	S	S	*	*			cis	-137.6	172.4	-1.5	42.4	-26.1	0	0	0	115.7
509	C	24	Very low	28.2	Very low	132 Å²	132	151.3 Å²	151.3	89%	0.892	83%	0.829	S	S	*	*				-178.9	165	119.1	-107.3	0	0	0	0	113.5
510	K	28.8	Very low	29.2	Very low	211 Å²	211	151.6 Å²	151.6	92%	0.917	82%	0.823	S	S	*	*			trans	-95.1	139.7	-173.8	-62.8	170.3	-179.3	170.7	0	112.5
511	A	25.2	Very low	30.3	Very low	100 Å²	100	147.5 Å²	147.5	83%	0.826	81%	0.813	S	S	*	*			trans	-129.6	155.4	150	0	0	0	0	0	108.8
512	R	26.8	Very low	31.1	Very low	237 Å²	237	146.6 Å²	146.6	89%	0.894	80%	0.804	S	S	*	*			trans	-107.2	122.2	174	-78.1	172.9	164.7	162.1	-8.2	108.2
513	D	24.8	Very low	32.3	Very low	170 Å²	170	149.8 Å²	149.8	91%	0.909	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-79.9	122.8	165	-73.1	-48.4	0	0	0	110.2
514	T	26.9	Very low	33.4	Very low	127 Å²	127	146 Å²	146	78%	0.779	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-97.1	140.6	174.2	43.4	0	0	0	0	110.8
515	S	28.5	Very low	34.8	Very low	104 Å²	104	143.1 Å²	143.1	73%	0.727	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-54.9	138.6	179	-166.8	0	0	0	0	112.8	Q517	S515-Q517 PolarHBondContact O-N 3.27Å
516	P	33.8	Very low	36.3	Very low	123 Å²	123	141.2 Å²	141.2	80%	0.799	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-60.2	134.2	174.6	-22.4	33.7	0	0	0	112.2
517	Q	32.7	Very low	37.8	Very low	188 Å²	188	142.6 Å²	142.6	88%	0.879	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-85.4	165.4	-179.6	-69.7	179.6	-56.9	0	0	112.9	S515	S515-Q517 PolarHBondContact O-N 3.27Å
518	R	34	Very low	39.2	Very low	250 Å²	250	145.2 Å²	145.2	94%	0.943	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-55.7	137.7	179.5	-62.9	178.9	174.4	-161.9	-2.5	112.2
519	L	36.3	Very low	40	Very low	171 Å²	171	142.8 Å²	142.8	90%	0.895	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-72.5	136.3	159.6	-79.7	157.8	0	0	0	109.5
520	N	45.9	Very low	41.1	Very low	103 Å²	103	142.8 Å²	142.8	55%	0.551	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-85.9	131	179	-169.6	20.7	0	0	0	111.4	E522	N520-E522 PolarHBondContact ND2-OE2 3.02Å
521	V	48.3	Very low	41.8	Very low	104 Å²	104	138.9 Å²	138.9	63%	0.63	70%	0.7	S	S	*	*	S	Bend	trans	-71.4	-39.3	-172	177.6	0	0	0	0	112	K523 L524 E525	V521-K523 PolarHBondContact O-N 2.84Å; V521-K523 VanDerWaalsContact O-N 3.08Å; V521-L524 WeakPolarHBondContact O-CB 3.21Å; V521-L524 PolarHBondContact O-N 3.07Å; V521-E525 PolarHBondContact O-N 2.9Å; V521-E525 VanDerWaalsContact O-N 3.16Å
522	E	43.3	Very low	42.8	Very low	132 Å²	132	137.4 Å²	137.4	62%	0.617	69%	0.688	S	S	*	*	H	α-helix	trans	-50.8	-39	-179	-63.8	171.5	113.1	0	0	112.5	N520 L524 E525 E526	N520-E522 PolarHBondContact ND2-OE2 3.02Å; E522-L524 PolarHBondContact O-N 2.84Å; E522-E525 PolarHBondContact O-N 3.46Å; E522-E526 WeakPolarHBondContact O-CB 3.44Å; E522-E526 PolarHBondContact O-N 3.18Å
523	K	48.6	Very low	43.6	Very low	158 Å²	158	134.5 Å²	134.5	69%	0.687	68%	0.681	S	S	*	*	H	α-helix	trans	-74.3	-14.9	-175.8	-158.4	167.5	-171.7	172.8	0	113.7	V521	V521-K523 PolarHBondContact O-N 2.84Å; V521-K523 VanDerWaalsContact O-N 3.08Å
524	L	48.1	Very low	44.4	Very low	106 Å²	106	132.1 Å²	132.1	56%	0.555	67%	0.673	S	S	*	*	H	α-helix	trans	-88.6	-41	170.2	-154.7	73.7	0	0	0	110.3	V521 E522 M527 Y528	V521-L524 WeakPolarHBondContact O-CB 3.21Å; V521-L524 PolarHBondContact O-N 3.07Å; E522-L524 PolarHBondContact O-N 2.84Å; L524-M527 WeakPolarHBondContact O-CB 3.37Å; L524-M527 PolarHBondContact O-N 3.39Å; L524-Y528 WeakPolarHBondContact O-CD2 3.23Å; L524-Y528 PolarHBondContact O-N 3.04Å
525	E	56.3	Low	45.3	Very low	127 Å²	127	134.6 Å²	134.6	59%	0.593	68%	0.676	S	S	*	*	H	α-helix	trans	-66.7	-38	179.3	-166.9	164.1	-146.5	0	0	112.5	V521 E522 M527 S529	V521-E525 PolarHBondContact O-N 2.9Å; V521-E525 VanDerWaalsContact O-N 3.16Å; E522-E525 PolarHBondContact O-N 3.46Å; E525-M527 VanDerWaalsContact C-N 3.33Å; E525-M527 PolarHBondContact O-N 3.38Å; E525-S529 VanDerWaalsContact O-CB 3.26Å; E525-S529 WeakPolarHBondContact O-CB 3.41Å; E525-S529 PolarHBondContact O-N 3.29Å; E525-S529 PolarHBondContact O-OG 2.68Å
526	E	58.7	Low	45.5	Very low	121 Å²	121	134 Å²	134	57%	0.565	67%	0.672	S	S	*	*	H	α-helix	trans	-63.6	-37.3	171.7	-172.6	176.2	-136.6	0	0	111.9	E522 S529 Q530	E522-E526 WeakPolarHBondContact O-CB 3.44Å; E522-E526 PolarHBondContact O-N 3.18Å; E526-S529 PolarHBondContact O-N 2.96Å; E526-Q530 WeakPolarHBondContact O-CG 3.49Å; E526-Q530 PolarHBondContact O-N 2.65Å
527	M	57.3	Low	45.4	Very low	106 Å²	106	136 Å²	136	52%	0.522	67%	0.671	S	S	.	*	H	α-helix	trans	-68.5	-45.1	178.4	-166.3	-169.1	-51.6	0	0	111.8	L524 E525 S529 Q530 M531	L524-M527 WeakPolarHBondContact O-CB 3.37Å; L524-M527 PolarHBondContact O-N 3.39Å; E525-M527 VanDerWaalsContact C-N 3.33Å; E525-M527 PolarHBondContact O-N 3.38Å; M527-S529 VanDerWaalsContact C-N 3.31Å; M527-S529 PolarHBondContact O-N 3.36Å; M527-Q530 PolarHBondContact O-N 3.17Å; M527-M531 PolarHBondContact O-N 3.14Å
528	Y	54	Low	45.7	Very low	172 Å²	172	133.1 Å²	133.1	68%	0.675	67%	0.668	S	S	*	*	H	α-helix	trans	-62	-39.4	171.1	-89.7	-84.4	0	0	0	111.7	L524 Q530 M531 A532	L524-Y528 WeakPolarHBondContact O-CD2 3.23Å; L524-Y528 PolarHBondContact O-N 3.04Å; Y528-Q530 VanDerWaalsContact C-N 3.34Å; Y528-Q530 PolarHBondContact O-N 3.39Å; Y528-M531 PolarHBondContact O-N 2.98Å; Y528-A532 WeakPolarHBondContact O-CB 3.47Å; Y528-A532 PolarHBondContact O-N 3.02Å
529	S	57	Low	45.4	Very low	57 Å²	57	127.5 Å²	127.5	40%	0.399	66%	0.657	S	S	.	*	H	α-helix	trans	-66	-31.4	178.1	-64	0	0	0	0	113.7	E525 E526 M527 K533	E525-S529 VanDerWaalsContact O-CB 3.26Å; E525-S529 WeakPolarHBondContact O-CB 3.41Å; E525-S529 PolarHBondContact O-N 3.29Å; E525-S529 PolarHBondContact O-OG 2.68Å; E526-S529 PolarHBondContact O-N 2.96Å; M527-S529 VanDerWaalsContact C-N 3.31Å; M527-S529 PolarHBondContact O-N 3.36Å; S529-K533 WeakPolarHBondContact O-CD 3.03Å; S529-K533 VanDerWaalsContact O-CG 3.31Å; S529-K533 WeakPolarHBondContact O-CG 3.46Å; S529-K533 PolarHBondContact O-N 2.88Å
530	Q	48	Very low	45.2	Very low	131 Å²	131	127 Å²	127	61%	0.612	66%	0.655	S	S	*	*	H	α-helix	trans	-69.9	-44	170.4	-73.1	-175.2	15.1	0	0	111.4	E526 M527 Y528 A532 K533	E526-Q530 WeakPolarHBondContact O-CG 3.49Å; E526-Q530 PolarHBondContact O-N 2.65Å; M527-Q530 PolarHBondContact O-N 3.17Å; Y528-Q530 VanDerWaalsContact C-N 3.34Å; Y528-Q530 PolarHBondContact O-N 3.39Å; Q530-A532 VanDerWaalsContact C-N 3.35Å; Q530-A532 PolarHBondContact O-N 2.83Å; Q530-K533 PolarHBondContact O-N 2.77Å
531	M	44.3	Very low	44.2	Very low	130 Å²	130	129.5 Å²	129.5	64%	0.64	67%	0.668	S	S	*	*	H	α-helix	trans	-66.9	-34.8	-177.9	-150.4	173.3	-63.3	0	0	112.6	M527 Y528 T534	M527-M531 PolarHBondContact O-N 3.14Å; Y528-M531 PolarHBondContact O-N 2.98Å; M531-T534 PolarHBondContact O-OG1 3.45Å
532	A	45.8	Very low	43.4	Very low	69 Å²	69	129.7 Å²	129.7	57%	0.57	68%	0.68	S	S	*	*	H	α-helix	trans	-67.7	-33.3	173.6	0	0	0	0	0	113.4	Y528 Q530 T534 Q535	Y528-A532 WeakPolarHBondContact O-CB 3.47Å; Y528-A532 PolarHBondContact O-N 3.02Å; Q530-A532 VanDerWaalsContact C-N 3.35Å; Q530-A532 PolarHBondContact O-N 2.83Å; A532-T534 VanDerWaalsContact C-N 3.27Å; A532-T534 PolarHBondContact O-N 2.79Å; A532-Q535 PolarHBondContact O-N 2.7Å
533	K	43	Very low	42.6	Very low	175 Å²	175	131.7 Å²	131.7	76%	0.761	69%	0.687	S	S	*	*	H	α-helix	trans	-71.8	-17	-178.5	-79.2	173.8	-178.7	174.7	0	114.1	S529 Q530	S529-K533 WeakPolarHBondContact O-CD 3.03Å; S529-K533 VanDerWaalsContact O-CG 3.31Å; S529-K533 WeakPolarHBondContact O-CG 3.46Å; S529-K533 PolarHBondContact O-N 2.88Å; Q530-K533 PolarHBondContact O-N 2.77Å
534	T	41.6	Very low	41.5	Very low	121 Å²	121	129.7 Å²	129.7	74%	0.742	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-0.2	178.4	33.5	0	0	0	0	115.2	M531 A532	M531-T534 PolarHBondContact O-OG1 3.45Å; A532-T534 VanDerWaalsContact C-N 3.27Å; A532-T534 PolarHBondContact O-N 2.79Å
535	Q	45.6	Very low	40.3	Very low	178 Å²	178	135.9 Å²	135.9	83%	0.832	70%	0.7	S	S	*	*	S	Bend	trans	-134.2	38.9	-171.3	-149.3	176	17.9	0	0	115.9	A532	A532-Q535 PolarHBondContact O-N 2.7Å
536	S	33.2	Very low	38.7	Very low	93 Å²	93	132.6 Å²	132.6	65%	0.65	70%	0.7	S	S	*	*			trans	-154.3	101.5	168.5	52.2	0	0	0	0	115.3
537	Q	31.1	Very low	37	Very low	165 Å²	165	132.8 Å²	132.8	77%	0.771	72%	0.715	S	S	*	*			trans	-168.2	105.7	145.4	-120.7	-177.9	83.1	0	0	113.1	N539	Q537-N539 PolarHBondContact OE1-ND2 3.03Å; Q537-N539 VanDerWaalsContact OE1-ND2 3.08Å
538	P	39.4	Very low	35.3	Very low	126 Å²	126	138.7 Å²	138.7	82%	0.818	73%	0.731	S	S	*	*			trans	-88.4	130.2	148.3	33.2	-26.7	0	0	0	108.7
539	N	28.1	Very low	33.8	Very low	133 Å²	133	136.3 Å²	136.3	71%	0.711	73%	0.734	S	S	*	*			trans	-130.2	104.1	-179.6	-144.4	-33.2	0	0	0	110.6	Q537	Q537-N539 PolarHBondContact OE1-ND2 3.03Å; Q537-N539 VanDerWaalsContact OE1-ND2 3.08Å
540	L	30.8	Very low	32.1	Very low	161 Å²	161	138.5 Å²	138.5	84%	0.843	75%	0.749	S	S	*	*			trans	-107.1	109.6	178.5	-80.2	170.4	0	0	0	109.4
541	N	26.8	Very low	31	Very low	155 Å²	155	140.9 Å²	140.9	83%	0.829	76%	0.758	S	S	*	*			trans	179.3	99.1	134.4	-98.3	-58.1	0	0	0	111
542	A	29.7	Very low	29.9	Very low	108 Å²	108	141.1 Å²	141.1	89%	0.893	76%	0.758	S	S	*	*			trans	-117.4	136.6	150.3	0	0	0	0	0	107
543	K	26.9	Very low	29	Very low	173 Å²	173	147.1 Å²	147.1	75%	0.752	77%	0.765	S	S	*	*			trans	-137.5	121.2	-160.2	166.8	-166.6	169	-168.6	0	109
544	D	25.6	Very low	28.1	Very low	116 Å²	116	143.5 Å²	143.5	62%	0.62	75%	0.754	S	S	*	*				-171.2	-174.9	104.9	-130.4	-58.7	0	0	0	113.3
545	R	22.5	Very low	27.4	Very low	236 Å²	236	146.4 Å²	146.4	89%	0.891	76%	0.76	S	S	*	*			trans	-61.2	159	178.7	-57.5	141.7	-178.5	-136.4	-5	112.8
546	G	24.3	Very low	26.4	Very low	59 Å²	59	145.9 Å²	145.9	61%	0.608	76%	0.761	S	S	*	*			cis	150.6	-174.6	-0.6	0	0	0	0	0	111.9
547	S	23.2	Very low	26	Very low	125 Å²	125	150 Å²	150	87%	0.874	77%	0.769	S	S	*	*			trans	62.5	157.2	172.3	55.9	0	0	0	0	118.6
548	R	21.3	Very low	25.8	Very low	230 Å²	230	150.5 Å²	150.5	87%	0.868	78%	0.777	S	S	*	*			cis	-176.1	151.6	-40.7	-120.9	-176.2	-178.2	-174.6	0.8	108.4
549	V	21.9	Very low	25	Very low	122 Å²	122	148.1 Å²	148.1	74%	0.739	78%	0.775	S	S	*	*			trans	73.2	100.3	149.1	177.3	0	0	0	0	120.1
550	S	21.8	Very low	24.9	Very low	102 Å²	102	146.3 Å²	146.3	71%	0.713	78%	0.779	S	S	*	*			trans	24.1	139.3	137.9	68.6	0	0	0	0	124.2
551	K	24.2	Very low	24.7	Very low	181 Å²	181	146.7 Å²	146.7	79%	0.787	78%	0.78	S	S	*	*				-172	140.5	111.1	-112.2	-178.8	176.7	-176.5	0	113.5
552	Q	21.5	Very low	24.6	Very low	136 Å²	136	147 Å²	147	64%	0.636	78%	0.776	S	S	*	*			trans	43	151.2	146.3	-83.4	177.2	-65.2	0	0	121.2
553	R	25.6	Very low	24.2	Very low	195 Å²	195	147.5 Å²	147.5	74%	0.736	76%	0.764	S	S	*	*			cis	-153.9	154.2	18.2	-156.5	157.8	-176.7	170.4	0.4	114.7
554	D	25.3	Very low	24.3	Very low	98 Å²	98	147.3 Å²	147.3	52%	0.524	77%	0.765	S	S	.	*			trans	-17.9	155.3	146.5	-2.9	-41.2	0	0	0	115.9
555	E	26.4	Very low	24.1	Very low	183 Å²	183	145.3 Å²	145.3	86%	0.855	77%	0.771	S	S	*	*			cis	-177.8	-166.9	-2.5	-121.2	178	155.8	0	0	109.2
556	I	24.7	Very low	25	Very low	167 Å²	167	139.7 Å²	139.7	86%	0.856	77%	0.765	S	S	*	*			trans	119.6	150	154.4	-61.5	169.3	0	0	0	116.9
557	E	24.5	Very low	24.9	Very low	178 Å²	178	142.1 Å²	142.1	83%	0.832	77%	0.773	S	S	*	*			trans	-93.3	157.1	-154.9	-57	173.6	104.4	0	0	117.1
558	L	26.4	Very low	25	Very low	176 Å²	176	142.8 Å²	142.8	92%	0.921	77%	0.772	S	S	*	*			trans	33.9	121.6	135.5	-157	74.7	0	0	0	121
559	G	24	Very low	25.2	Very low	76 Å²	76	140.1 Å²	140.1	78%	0.784	77%	0.774	S	S	*	*			trans	-165.3	137.7	159.3	0	0	0	0	0	111.7
560	A	25.3	Very low	25.4	Very low	96 Å²	96	138.2 Å²	138.2	79%	0.793	78%	0.779	S	S	*	*			trans	-130.9	153	-178	0	0	0	0	0	111.4
561	I	26.2	Very low	25.6	Very low	168 Å²	168	138 Å²	138	86%	0.862	78%	0.784	S	S	*	*			trans	-165.4	131	157.4	-106.6	150.2	0	0	0	112.9
562	H	24.5	Very low	25.7	Very low	163 Å²	163	137.8 Å²	137.8	76%	0.755	78%	0.783	S	S	*	*			trans	17.2	126	151.8	-92.8	-84	0	0	0	125.4
563	D	22.9	Very low	25.9	Very low	118 Å²	118	137.7 Å²	137.7	63%	0.631	79%	0.787	S	S	*	*				87.4	160.1	119.6	-119.5	-60.3	0	0	0	124.5
564	H	27.5	Very low	26	Very low	169 Å²	169	132.3 Å²	132.3	78%	0.782	79%	0.792	S	S	*	*			trans	75.4	121.6	166.2	-56.7	-20.6	0	0	0	119.7
565	G	21.8	Very low	26	Very low	73 Å²	73	135.1 Å²	135.1	75%	0.753	81%	0.812	S	S	*	*			trans	-102.3	-145.5	151.7	0	0	0	0	0	109.9
566	P	40.8	Very low	26.2	Very low	118 Å²	118	129.8 Å²	129.8	77%	0.766	81%	0.807	S	S	*	*			cis	-134	-171.8	-8.3	40.7	-23.3	0	0	0	113.8
567	S	23.1	Very low	26.4	Very low	110 Å²	110	129.6 Å²	129.6	77%	0.769	81%	0.807	S	S	*	*			trans	75	139.1	158.1	-52	0	0	0	0	119.8
568	V	26	Very low	26.6	Very low	139 Å²	139	130 Å²	130	84%	0.842	81%	0.811	S	S	*	*				173.5	144.6	114.9	151.9	0	0	0	0	110.1
569	L	25.3	Very low	26.8	Very low	174 Å²	174	130.5 Å²	130.5	91%	0.911	81%	0.806	S	S	*	*			trans	-90.3	146.3	171.2	-72.9	82.4	0	0	0	111.1
570	G	24.7	Very low	27	Very low	83 Å²	83	132.3 Å²	132.3	86%	0.856	81%	0.807	S	S	*	*			trans	-165.3	130.8	166	0	0	0	0	0	110.6
571	A	25.6	Very low	27.1	Very low	98 Å²	98	136.3 Å²	136.3	81%	0.81	81%	0.814	S	S	*	*			trans	-124.9	145.2	-173.1	0	0	0	0	0	111.9
572	K	26.6	Very low	27.4	Very low	175 Å²	175	133.2 Å²	133.2	76%	0.761	81%	0.807	S	S	*	*				-173.1	148.3	127.4	-108.3	172	158.1	-84.9	0	114.8
573	D	26	Very low	27.7	Very low	135 Å²	135	131.1 Å²	131.1	72%	0.722	81%	0.811	S	S	*	*			trans	47.9	111.5	146.4	-49.3	-24.3	0	0	0	119.9
574	G	27.1	Very low	28.1	Very low	82 Å²	82	133.3 Å²	133.3	85%	0.845	82%	0.821	S	S	*	*			trans	-163.9	127.9	167.8	0	0	0	0	0	112.1
575	V	26.8	Very low	28.1	Very low	156 Å²	156	132.9 Å²	132.9	95%	0.945	82%	0.824	S	S	*	*			trans	-92.3	143.1	179.8	174.1	0	0	0	0	110.4
576	G	29.5	Very low	28.6	Very low	72 Å²	72	134.4 Å²	134.4	74%	0.742	82%	0.824	S	S	*	*			trans	-172.3	112.3	170.8	0	0	0	0	0	114.6
577	D	29.3	Very low	28.1	Very low	163 Å²	163	139.8 Å²	139.8	87%	0.872	83%	0.83	S	S	*	*			trans	-66.5	145.3	163	-75.2	-60	0	0	0	111
578	M	29.4	Very low	28.4	Very low	186 Å²	186	142.6 Å²	142.6	92%	0.916	84%	0.835	S	S	*	*			trans	-123.1	121.2	168.3	-160.8	90.1	81.6	0	0	110.1
579	K	29.3	Very low	28.5	Very low	187 Å²	187	141.1 Å²	141.1	81%	0.813	83%	0.831	S	S	*	*			trans	-81	149.8	-173.9	-76.5	177	177.5	172.1	0	113.4
580	S	28.8	Very low	28.6	Very low	114 Å²	114	138.9 Å²	138.9	80%	0.797	83%	0.828	S	S	*	*			trans	-29.6	126.6	160.4	51.6	0	0	0	0	115.2
581	L	28.4	Very low	28.9	Very low	179 Å²	179	139.9 Å²	139.9	94%	0.937	83%	0.828	S	S	*	*			trans	-86.2	137.9	164.4	-72.6	171	0	0	0	110.8
582	S	30.9	Very low	29.3	Very low	104 Å²	104	141.6 Å²	141.6	73%	0.727	83%	0.829	S	S	*	*			trans	-108.9	139.1	-178.3	56.3	0	0	0	0	112.5
583	S	31.1	Very low	29.4	Very low	119 Å²	119	140.5 Å²	140.5	83%	0.832	83%	0.832	S	S	*	*			trans	41.7	94.5	140.5	-49.9	0	0	0	0	118.5
584	I	31.2	Very low	29.4	Very low	164 Å²	164	144.1 Å²	144.1	84%	0.841	84%	0.841	S	S	*	*			trans	-131.5	116.9	147.7	-120.1	169	0	0	0	107.6
585	D	28.1	Very low	29.4	Very low	159 Å²	159	149.3 Å²	149.3	85%	0.85	84%	0.843	S	S	*	*			trans	164.7	74.2	164.3	-95.5	-9.7	0	0	0	108.5
586	S	32.6	Very low	29.4	Very low	106 Å²	106	150.5 Å²	150.5	74%	0.741	84%	0.839	S	S	*	*			trans	-142.9	26.2	-178.4	-61.7	0	0	0	0	114.1
587	Y	30.5	Very low	29.2	Very low	230 Å²	230	154.3 Å²	154.3	90%	0.902	84%	0.842	S	S	*	*			trans	-140.4	163.9	170.2	-81.3	-73.9	0	0	0	111
588	I	29.8	Very low	29.6	Very low	170 Å²	170	152 Å²	152	87%	0.872	84%	0.836	S	S	*	*			trans	84.4	86.2	-170	-50.8	169.6	0	0	0	113.6
589	S	26.4	Very low	29.4	Very low	108 Å²	108	154.7 Å²	154.7	76%	0.755	84%	0.836	S	S	*	*			trans	-115.7	173.3	139.9	-170.8	0	0	0	0	107.5
590	C	29.1	Very low	29.5	Very low	126 Å²	126	155.9 Å²	155.9	85%	0.851	84%	0.837	S	S	*	*			trans	68.6	81.6	177.5	-54	0	0	0	0	116.1
591	A	30.8	Very low	29.8	Very low	104 Å²	104	156.2 Å²	156.2	86%	0.86	84%	0.836	S	S	*	*			trans	-161.5	95.4	146.2	0	0	0	0	0	109.6
592	T	32.7	Very low	29.7	Very low	135 Å²	135	156.2 Å²	156.2	83%	0.828	83%	0.831	S	S	*	*			trans	-109.3	110.4	161.6	45.2	0	0	0	0	107.8
593	D	29.1	Very low	29.5	Very low	152 Å²	152	156.6 Å²	156.6	81%	0.813	83%	0.834	S	S	*	*			trans	178	135.2	139.4	-91	-18.9	0	0	0	109.6
594	F	26.2	Very low	29.9	Very low	211 Å²	211	157 Å²	157	93%	0.925	83%	0.834	S	S	*	*			trans	-142.2	111.6	163.7	-97.5	-75.6	0	0	0	109.2
595	Q	28.1	Very low	29.7	Very low	190 Å²	190	154 Å²	154	89%	0.888	83%	0.833	S	S	*	*			trans	-96	99.3	178.4	-175.6	-179.1	25.1	0	0	108.7
596	E	27.1	Very low	29.7	Very low	182 Å²	182	151.1 Å²	151.1	85%	0.85	83%	0.832	S	S	*	*			trans	-79.9	123.3	175.2	-69.7	-169.8	151.4	0	0	111.2
597	N	24.4	Very low	29.4	Very low	151 Å²	151	153.2 Å²	153.2	81%	0.807	83%	0.834	S	S	*	*			trans	-153.9	130.8	159	-127.2	-27	0	0	0	108.9
598	P	37.2	Very low	29.1	Very low	115 Å²	115	150.1 Å²	150.1	75%	0.747	83%	0.832	S	S	*	*			trans	-85	154.8	-163.2	33.3	-36	0	0	0	113.5
599	R	25.5	Very low	28.9	Very low	243 Å²	243	145 Å²	145	92%	0.917	82%	0.821	S	S	*	*			trans	-153.2	132.2	160.2	-140.3	174	-68.9	-179.8	0	112.3
600	Y	30.9	Very low	28.8	Very low	211 Å²	211	147.8 Å²	147.8	83%	0.827	83%	0.826	S	S	*	*			trans	-68.8	163.4	169.4	-72	-99	0	0	0	111.4
601	P	35	Very low	28.5	Very low	121 Å²	121	150.7 Å²	150.7	79%	0.786	83%	0.825	S	S	*	*				-121.8	159.6	129.7	35.5	-30.4	0	0	0	112.8
602	H	26.7	Very low	28.3	Very low	180 Å²	180	154.8 Å²	154.8	83%	0.833	83%	0.826	S	S	*	*			trans	-90.7	162.1	-179.1	-73.9	-103.8	0	0	0	113.1
603	S	28	Very low	27.9	Very low	112 Å²	112	154 Å²	154	78%	0.783	83%	0.826	S	S	*	*			trans	-66.5	164.3	165	-33.4	0	0	0	0	112.9
604	P	37.7	Very low	27.7	Very low	128 Å²	128	151.5 Å²	151.5	83%	0.831	82%	0.82	S	S	*	*			trans	-112.9	174.9	131.6	35.2	-31.1	0	0	0	111.8
605	A	27.2	Very low	27.6	Very low	100 Å²	100	152.1 Å²	152.1	83%	0.826	82%	0.817	S	S	*	*			trans	-136.8	-165.6	-175.3	0	0	0	0	0	111.5
606	A	28.7	Very low	27.4	Very low	99 Å²	99	151.9 Å²	151.9	82%	0.818	81%	0.813	S	S	*	*			trans	85.5	136.9	-177.2	0	0	0	0	0	114.8
607	D	25.3	Very low	27.2	Very low	150 Å²	150	148.2 Å²	148.2	80%	0.802	80%	0.803	S	S	*	*			cis	-163.4	-177.6	-12.4	-159.4	-3.6	0	0	0	110.4
608	I	26	Very low	27.2	Very low	164 Å²	164	150.9 Å²	150.9	84%	0.841	81%	0.808	S	S	*	*			trans	77.4	133.5	170.9	-46.4	163.9	0	0	0	114.7
609	G	23.9	Very low	26.5	Very low	63 Å²	63	148.7 Å²	148.7	65%	0.649	81%	0.806	S	S	*	*			cis	167.7	163.9	-8.4	0	0	0	0	0	114.2
610	L	24.4	Very low	27.2	Very low	166 Å²	166	142.8 Å²	142.8	87%	0.869	80%	0.799	S	S	*	*			trans	77.3	110.7	168.1	-96.7	73.9	0	0	0	123.1
611	K	24.3	Very low	27	Very low	187 Å²	187	138.8 Å²	138.8	81%	0.813	80%	0.796	S	S	*	*				44.7	101.6	126.2	-70.9	-172.4	171	-176.5	0	122.7
612	E	25.3	Very low	26.6	Very low	190 Å²	190	138.9 Å²	138.9	89%	0.888	80%	0.795	S	S	*	*				19.3	125.4	108.3	-175.4	179	-133.7	0	0	120.4
613	S	24	Very low	26.6	Very low	119 Å²	119	136 Å²	136	83%	0.832	79%	0.79	S	S	*	*			trans	-162.7	159.5	140.5	-137	0	0	0	0	112.8
614	S	25.8	Very low	26.4	Very low	99 Å²	99	138.6 Å²	138.6	69%	0.692	79%	0.794	S	S	*	*			trans	-129.1	148.9	-172	61.2	0	0	0	0	113.7
615	R	23.8	Very low	25.8	Very low	224 Å²	224	137.2 Å²	137.2	85%	0.845	79%	0.787	S	S	*	*			trans	-167.4	122.2	151	-122.8	168.4	-77.3	-162.5	-1.4	117.9
616	F	23.8	Very low	25.8	Very low	186 Å²	186	140.7 Å²	140.7	82%	0.816	79%	0.787	S	S	*	*			trans	32.5	107.3	136.2	-72.2	-103.4	0	0	0	124.2
617	T	22.6	Very low	25.7	Very low	105 Å²	105	143 Å²	143	64%	0.644	78%	0.78	S	S	*	*				44.5	143	112.3	3.2	0	0	0	0	126.6
618	F	24.4	Very low	25.8	Very low	207 Å²	207	142.3 Å²	142.3	91%	0.908	78%	0.775	S	S	*	*			trans	83.1	143.3	152.2	-75.6	-63.9	0	0	0	121.8
619	G	22.8	Very low	25.7	Very low	69 Å²	69	139.1 Å²	139.1	71%	0.711	77%	0.767	S	S	*	*			trans	-105	-133.9	178.1	0	0	0	0	0	112.3
620	P	40.3	Very low	25.9	Very low	118 Å²	118	144.8 Å²	144.8	77%	0.766	77%	0.774	S	S	*	*			cis	-140.9	-167.1	4.5	43.1	-23	0	0	0	115.2
621	V	27.6	Very low	26.1	Very low	127 Å²	127	144.9 Å²	144.9	77%	0.77	77%	0.767	S	S	*	*			trans	52.5	131.8	146.8	163.7	0	0	0	0	119.9
622	T	26.2	Very low	26.3	Very low	123 Å²	123	143 Å²	143	76%	0.755	77%	0.765	S	S	*	*			cis	-158.5	-151.9	-15.6	37.5	0	0	0	0	105.8
623	V	26.8	Very low	26.4	Very low	121 Å²	121	137 Å²	137	73%	0.733	75%	0.753	S	S	*	*			cis	-159.9	154.5	3.6	85.8	0	0	0	0	108.1
624	L	24.4	Very low	26.6	Very low	166 Å²	166	139.4 Å²	139.4	87%	0.869	75%	0.751	S	S	*	*				-178.4	164.5	96	-165.4	66.2	0	0	0	109.8
625	S	25.4	Very low	26.6	Very low	98 Å²	98	141.7 Å²	141.7	69%	0.685	75%	0.751	S	S	*	*			trans	-119.3	162	-178.2	173.8	0	0	0	0	112.2
626	Q	26.8	Very low	26.8	Very low	174 Å²	174	137.1 Å²	137.1	81%	0.813	74%	0.742	S	S	*	*			trans	-164.5	120.8	135.7	-109	175.7	17.2	0	0	115.5
627	H	26.4	Very low	26.9	Very low	148 Å²	148	136.2 Å²	136.2	69%	0.685	74%	0.744	S	S	*	*			trans	65.5	129.2	145	-74.3	-128.5	0	0	0	121
628	I	27.4	Very low	27	Very low	135 Å²	135	134.8 Å²	134.8	69%	0.692	75%	0.75	S	S	*	*			cis	89.8	132.8	45.6	-69.5	166	0	0	0	111.3
629	S	24.4	Very low	27.2	Very low	96 Å²	96	133.8 Å²	133.8	67%	0.671	75%	0.748	S	S	*	*			cis	-139.8	162	26.1	-106	0	0	0	0	111.7
630	K	27.3	Very low	27.4	Very low	182 Å²	182	137.6 Å²	137.6	79%	0.791	75%	0.747	S	S	*	*				66.8	143.8	54.9	-71.9	178.7	176.7	170.9	0	114
631	K	28.3	Very low	26.8	Very low	168 Å²	168	139.6 Å²	139.6	73%	0.73	75%	0.746	S	S	*	*			cis	-171.4	168.2	13.5	-134.6	-176.5	157	-164.7	0	113
632	I	28.9	Very low	26.8	Very low	148 Å²	148	138.2 Å²	138.2	76%	0.759	74%	0.742	S	S	*	*			trans	70.3	151.1	152	-69	163.4	0	0	0	118
633	G	27.2	Very low	27	Very low	63 Å²	63	138.3 Å²	138.3	65%	0.649	74%	0.742	S	S	*	*			cis	155	163.1	-13	0	0	0	0	0	116.2
634	H	27.6	Very low	27	Very low	171 Å²	171	140 Å²	140	79%	0.792	75%	0.746	S	S	*	*			trans	58.7	124.9	160.9	-88.5	-108	0	0	0	125.3
635	Q	26	Very low	27.2	Very low	146 Å²	146	137 Å²	137	68%	0.682	74%	0.739	S	S	*	*			trans	52.4	126.7	132.8	-76.9	-179.2	-55	0	0	125.9
636	I	27.6	Very low	28.4	Very low	129 Å²	129	138.6 Å²	138.6	66%	0.662	75%	0.747	S	S	*	*				78	118.8	128.4	-65.7	173.4	0	0	0	121.6
637	I	26.5	Very low	28.4	Very low	167 Å²	167	133.8 Å²	133.8	86%	0.856	75%	0.745	S	S	*	*			trans	33.4	129.5	141.3	-51.8	172.3	0	0	0	120.2
638	G	25.6	Very low	28.5	Very low	74 Å²	74	132 Å²	132	76%	0.763	75%	0.748	S	S	*	*			trans	157.2	117	148.7	0	0	0	0	0	116.1
639	Q	27.1	Very low	28.6	Very low	186 Å²	186	134.9 Å²	134.9	87%	0.869	76%	0.756	S	S	*	*			trans	-73.4	154.2	-177.8	-67	170.8	-50.7	0	0	115.6
640	H	27.9	Very low	28.8	Very low	150 Å²	150	135.1 Å²	135.1	69%	0.694	76%	0.758	S	S	*	*			trans	60.3	131.8	146.8	-93.1	-108.1	0	0	0	122.8
641	E	28.3	Very low	28.8	Very low	159 Å²	159	132.4 Å²	132.4	74%	0.743	76%	0.762	S	S	*	*			trans	30.2	147	131.3	-64	177.9	154.9	0	0	122.7
642	S	27.6	Very low	28.6	Very low	98 Å²	98	128 Å²	128	69%	0.685	76%	0.763	S	S	*	*			cis	-166.3	146.7	-20	57	0	0	0	0	111.3
643	V	29.4	Very low	29.6	Very low	126 Å²	126	126.6 Å²	126.6	76%	0.764	76%	0.764	S	S	*	*			trans	42.4	108.7	143.3	-178.6	0	0	0	0	119.6
644	L	26.1	Very low	29.8	Very low	156 Å²	156	131.5 Å²	131.5	82%	0.817	77%	0.77	S	S	*	*				-178.4	90.7	124.6	-99.9	165.7	0	0	0	115.5
645	S	29.9	Very low	30	Very low	103 Å²	103	128.8 Å²	128.8	72%	0.72	76%	0.761	S	S	*	*			trans	60.5	-179.7	130.2	-48.6	0	0	0	0	120.3
646	P	51.3	Low	30.3	Very low	131 Å²	131	127 Å²	127	85%	0.851	76%	0.76	S	S	*	*				-141.1	167.8	-92.9	41.4	-22.2	0	0	0	118.3
647	G	25.4	Very low	30.6	Very low	74 Å²	74	130.9 Å²	130.9	76%	0.763	77%	0.767	S	S	*	*			trans	140.7	162.7	155.8	0	0	0	0	0	115.2
648	S	29.8	Very low	30.7	Very low	109 Å²	109	131.4 Å²	131.4	76%	0.762	76%	0.758	S	S	*	*			cis	-167.9	141.1	-25	62	0	0	0	0	112
649	K	29.3	Very low	30.7	Very low	197 Å²	197	134.9 Å²	134.9	86%	0.857	75%	0.753	S	S	*	*			trans	62.7	123.6	154.7	-68.1	-176.9	176.2	179.3	0	122.5
650	S	28.1	Very low	30.7	Very low	101 Å²	101	132.3 Å²	132.3	71%	0.706	74%	0.744	S	S	*	*				79.8	133.8	123.8	67.5	0	0	0	0	125.4
651	S	27	Very low	30.6	Very low	125 Å²	125	133.5 Å²	133.5	87%	0.874	75%	0.748	S	S	*	*			trans	77.2	148.1	138.8	70.8	0	0	0	0	121.7
652	G	24.4	Very low	30.5	Very low	74 Å²	74	131.3 Å²	131.3	76%	0.763	75%	0.75	S	S	*	*			trans	136.5	127.4	166.7	0	0	0	0	0	115.3
653	P	50.1	Low	30.3	Very low	119 Å²	119	130.1 Å²	130.1	77%	0.773	75%	0.753	S	S	*	*			trans	-128.9	-176.1	-175.1	43.5	-30.1	0	0	0	116.9
654	E	32	Very low	30.3	Very low	166 Å²	166	132.3 Å²	132.3	78%	0.776	76%	0.76	S	S	*	*			trans	94.6	130.1	142.1	-93.7	-169.8	-149.2	0	0	125.8
655	N	31	Very low	30.3	Very low	114 Å²	114	130.3 Å²	130.3	61%	0.61	76%	0.759	S	S	*	*				75.8	108.6	129.1	-81	-25	0	0	0	127.9
656	T	32.8	Very low	30.3	Very low	108 Å²	108	129.1 Å²	129.1	66%	0.663	75%	0.751	S	S	*	*				83.2	138.2	119.9	60.2	0	0	0	0	127.2
657	R	33.3	Very low	29.3	Very low	212 Å²	212	132.1 Å²	132.1	80%	0.8	75%	0.751	S	S	*	*			trans	74.9	158.1	142.1	-76.9	169.3	176.9	-177.8	0.3	118
658	R	29	Very low	29.3	Very low	177 Å²	177	133.7 Å²	133.7	67%	0.668	75%	0.75	S	S	*	*			cis	-163.9	162	12.7	-135	165.7	172.1	-173.8	-4.1	114.6
659	F	25.3	Very low	29.3	Very low	148 Å²	148	135.1 Å²	135.1	65%	0.649	75%	0.749	S	S	*	*			trans	72.9	127.7	147.6	-69.1	-44.5	0	0	0	126.7
660	L	26.8	Very low	29.3	Very low	132 Å²	132	135 Å²	135	69%	0.691	75%	0.748	S	S	*	*			trans	43.7	136	130.4	-57.7	165.2	0	0	0	121.7
661	F	26.8	Very low	29.1	Very low	175 Å²	175	134 Å²	134	77%	0.768	75%	0.753	S	S	*	*				-174.4	168.2	64.6	-119	-75.8	0	0	0	113.3
662	S	24.2	Very low	29.1	Very low	113 Å²	113	131.8 Å²	131.8	79%	0.79	75%	0.75	S	S	*	*			trans	35.4	156	155.9	-69.6	0	0	0	0	123.8
663	G	25	Very low	29.2	Very low	73 Å²	73	133.8 Å²	133.8	75%	0.753	75%	0.751	S	S	*	*			cis	149.3	104.7	-6.4	0	0	0	0	0	115.5
664	N	28.3	Very low	28.1	Very low	171 Å²	171	138.9 Å²	138.9	91%	0.914	76%	0.755	S	S	*	*			trans	10.3	141.5	161.8	-71.5	-6.3	0	0	0	123.5
665	S	27.1	Very low	28	Very low	114 Å²	114	135.1 Å²	135.1	80%	0.797	75%	0.747	S	S	*	*				174.2	150.5	122.9	179.9	0	0	0	0	112.9
666	S	30.2	Very low	28	Very low	79 Å²	79	137.1 Å²	137.1	55%	0.552	76%	0.758	S	S	*	*			cis	-172.1	164.7	-39.8	59.7	0	0	0	0	111.4
667	K	29.4	Very low	27.8	Very low	193 Å²	193	135.2 Å²	135.2	84%	0.839	76%	0.76	S	S	*	*			trans	71	131.6	164.5	-57.2	159.1	-172.4	174.9	0	116.8
668	S	26	Very low	27.7	Very low	107 Å²	107	132.9 Å²	132.9	75%	0.748	76%	0.763	S	S	*	*			cis	82.9	121.1	12.9	-164.3	0	0	0	0	118.2
669	L	29.7	Very low	27.8	Very low	140 Å²	140	130 Å²	130	73%	0.733	77%	0.77	S	S	*	*				-174.1	143.1	117.7	-122.9	77.7	0	0	0	114.8
670	K	27.9	Very low	27.9	Very low	195 Å²	195	126.1 Å²	126.1	85%	0.848	77%	0.772	S	S	*	*			trans	58.6	147.6	157.1	-65.9	177.4	178.2	179.3	0	120.6
671	G	25.8	Very low	28.7	Very low	78 Å²	78	126 Å²	126	80%	0.804	78%	0.78	S	S	*	*			cis	153.2	131.5	-17	0	0	0	0	0	116.8
672	G	26.6	Very low	28.9	Very low	79 Å²	79	123.2 Å²	123.2	81%	0.814	78%	0.781	S	S	*	*			trans	81.9	167.9	163.4	0	0	0	0	0	117.3
673	C	25.8	Very low	29.9	Very low	116 Å²	116	123.9 Å²	123.9	78%	0.784	78%	0.783	S	S	*	*			cis	-167.8	141.7	-23.4	-142.7	0	0	0	0	112.6
674	R	27.3	Very low	30.2	Very low	226 Å²	226	128.3 Å²	128.3	85%	0.853	79%	0.789	S	S	*	*			trans	65.2	141	148.4	-87.8	-178	177	-171	-3.7	123.5
675	S	30.5	Very low	30.3	Very low	88 Å²	88	125 Å²	125	62%	0.615	78%	0.779	S	S	*	*			trans	68.7	154	136.5	-65.9	0	0	0	0	120
676	D	29.4	Very low	30.3	Very low	155 Å²	155	126.5 Å²	126.5	83%	0.829	78%	0.778	S	S	*	*			cis	-166.4	165.8	-25.3	-86.5	-36.1	0	0	0	104.1
677	G	29.5	Very low	30.2	Very low	69 Å²	69	128.1 Å²	128.1	71%	0.711	79%	0.79	S	S	*	*			cis	174.8	153	-1.8	0	0	0	0	0	110
678	D	30.7	Very low	30.3	Very low	163 Å²	163	123.7 Å²	123.7	87%	0.872	78%	0.783	S	S	*	*			trans	25.5	127.3	156.1	-154.8	13.8	0	0	0	122.9
679	S	30.9	Very low	30.4	Very low	115 Å²	115	124.8 Å²	124.8	80%	0.804	79%	0.785	S	S	*	*			trans	172.1	146.6	130.7	41	0	0	0	0	114.4
680	G	28.3	Very low	30.3	Very low	68 Å²	68	124.3 Å²	124.3	70%	0.701	79%	0.787	S	S	*	*			trans	-118.9	-160.9	155.1	0	0	0	0	0	109.9
681	P	43.8	Very low	30.3	Very low	130 Å²	130	120.4 Å²	120.4	84%	0.844	79%	0.785	S	S	*	*			cis	-129.9	-169.3	4.2	43.1	-27	0	0	0	113.9
682	S	30.6	Very low	30.6	Very low	115 Å²	115	123.9 Å²	123.9	80%	0.804	79%	0.785	S	S	*	*			trans	-74.3	156.8	173.3	-25.9	0	0	0	0	114
683	P	45.3	Very low	30.7	Very low	128 Å²	128	128.8 Å²	128.8	83%	0.831	79%	0.786	S	S	*	*				-135.5	-162.4	126.1	38.8	-27.2	0	0	0	113.9
684	L	30.6	Very low	30.8	Very low	166 Å²	166	127.4 Å²	127.4	87%	0.869	78%	0.778	S	S	*	*			trans	-109.9	178.7	-158.5	-73.8	159.9	0	0	0	115.4
685	S	30.8	Very low	30.9	Very low	101 Å²	101	123.9 Å²	123.9	71%	0.706	78%	0.775	S	S	*	*			trans	92.4	119	145.5	59.2	0	0	0	0	122.2
686	D	27.2	Very low	30.7	Very low	146 Å²	146	127.3 Å²	127.3	78%	0.781	79%	0.786	S	S	*	*				64.5	119.2	127.6	-54	-10.4	0	0	0	124.4
687	S	29.1	Very low	30.7	Very low	113 Å²	113	125.1 Å²	125.1	79%	0.79	78%	0.783	S	S	*	*			trans	74.5	158.6	133.3	77.6	0	0	0	0	120.2
688	S	29.5	Very low	31.8	Very low	100 Å²	100	127.1 Å²	127.1	70%	0.699	78%	0.783	S	S	*	*			cis	-173.1	171.7	-28.8	58.7	0	0	0	0	111.8
689	V	29.2	Very low	31.9	Very low	129 Å²	129	127.9 Å²	127.9	78%	0.782	78%	0.782	S	S	*	*			trans	75.6	164.2	159.8	-174.4	0	0	0	0	118.7
690	V	27.6	Very low	31.8	Very low	130 Å²	130	125.5 Å²	125.5	79%	0.788	77%	0.769	S	S	*	*			trans	91.3	122.6	173	-173.8	0	0	0	0	114
691	S	28.6	Very low	31.9	Very low	114 Å²	114	127.6 Å²	127.6	80%	0.797	77%	0.773	S	S	*	*			cis	-127.4	165.7	15.7	-60	0	0	0	0	115.4
692	D	30.3	Very low	31.3	Very low	150 Å²	150	127.2 Å²	127.2	80%	0.802	77%	0.768	S	S	*	*			trans	-89.2	-179.7	177.7	-76	-73.9	0	0	0	116
693	Q	29.6	Very low	31.2	Very low	182 Å²	182	131.7 Å²	131.7	85%	0.85	77%	0.769	S	S	*	*				105.7	139.9	128.3	-145.9	159.8	74.2	0	0	118.7
694	S	27.6	Very low	30.5	Very low	88 Å²	88	131 Å²	131	62%	0.615	76%	0.763	S	S	*	*			cis	-168.4	176.7	-41.5	61.3	0	0	0	0	111.9
695	L	29.7	Very low	30.4	Very low	151 Å²	151	129.8 Å²	129.8	79%	0.791	76%	0.762	S	S	*	*			trans	86.9	143.8	145.4	-79.7	170.5	0	0	0	124.2
696	L	26.9	Very low	30.3	Very low	161 Å²	161	129.6 Å²	129.6	84%	0.843	77%	0.766	S	S	*	*			trans	97.6	118.8	149.2	-75.5	155	0	0	0	122.6
697	S	28.6	Very low	30.4	Very low	108 Å²	108	127.7 Å²	127.7	76%	0.755	77%	0.765	S	S	*	*			trans	-101.3	-158.4	169.3	-29.9	0	0	0	0	109.6
698	P	51.9	Low	30.5	Very low	112 Å²	112	127.1 Å²	127.1	73%	0.727	76%	0.761	S	S	*	*			cis	-126.1	-150.6	-3.3	38.3	-14.9	0	0	0	111.5
699	E	33.4	Very low	30.4	Very low	178 Å²	178	134 Å²	134	83%	0.832	77%	0.771	S	S	*	*			cis	-159.2	-156.3	-1.2	-141.3	177.4	-69.3	0	0	107.4
700	A	29.8	Very low	30.5	Very low	65 Å²	65	134 Å²	134	54%	0.537	77%	0.772	S	S	.	*			cis	-165.1	157.6	-2.8	0	0	0	0	0	112.5
701	S	29.8	Very low	31	Very low	112 Å²	112	133.5 Å²	133.5	78%	0.783	77%	0.771	S	S	*	*			trans	71.3	150.4	151.9	82.4	0	0	0	0	118.9
702	V	30.1	Very low	31.9	Very low	122 Å²	122	133.4 Å²	133.4	74%	0.739	77%	0.767	S	S	*	*			cis	-142.4	128.2	13.8	163.6	0	0	0	0	113.4
703	Y	28.7	Very low	31.7	Very low	209 Å²	209	136.4 Å²	136.4	82%	0.82	77%	0.774	S	S	*	*			trans	41.3	108.8	145.1	-69.3	-105	0	0	0	127
704	T	30.7	Very low	31.7	Very low	115 Å²	115	132.8 Å²	132.8	71%	0.706	77%	0.768	S	S	*	*				52.9	123.2	105.6	-44.3	0	0	0	0	125
705	T	29.3	Very low	32.4	Very low	140 Å²	140	133.4 Å²	133.4	86%	0.859	77%	0.77	S	S	*	*				-179.2	124.6	116.1	26.2	0	0	0	0	118.5
706	A	28.8	Very low	32.3	Very low	96 Å²	96	133 Å²	133	79%	0.793	77%	0.769	S	S	*	*			trans	46.8	112.7	137.9	0	0	0	0	0	127.6
707	S	29.4	Very low	32.3	Very low	107 Å²	107	130.3 Å²	130.3	75%	0.748	76%	0.763	S	S	*	*				69.7	108.2	111.3	-154.7	0	0	0	0	126.8
708	S	30.3	Very low	32.3	Very low	101 Å²	101	131 Å²	131	71%	0.706	76%	0.763	S	S	*	*			trans	40.2	136	130.2	75.8	0	0	0	0	126.8
709	R	27.7	Very low	31.1	Very low	245 Å²	245	130.5 Å²	130.5	93%	0.925	77%	0.769	S	S	*	*				-178.7	169.3	125.9	-102	174.1	177.9	-175.4	-0.8	114.5
710	T	30.9	Very low	30.7	Very low	129 Å²	129	130.6 Å²	130.6	79%	0.791	77%	0.771	S	S	*	*			trans	-137.9	-171.7	-177.1	62.3	0	0	0	0	109.6
711	P	39	Very low	30.7	Very low	118 Å²	118	131.5 Å²	131.5	77%	0.766	78%	0.778	S	S	*	*			cis	-129.6	-113.6	0.5	25.9	3.2	0	0	0	116.3
712	P	47.4	Very low	30.6	Very low	112 Å²	112	132.3 Å²	132.3	73%	0.727	78%	0.781	S	S	*	*				-129.2	173.4	-123.1	42.2	-24.1	0	0	0	117.6
713	K	26.9	Very low	30.4	Very low	214 Å²	214	132 Å²	132	93%	0.93	78%	0.78	S	S	*	*			trans	-170.8	153.8	147	-111.1	166.9	-173	-179	0	114.7
714	S	28.4	Very low	30.3	Very low	106 Å²	106	127.8 Å²	127.8	74%	0.741	78%	0.775	S	S	*	*			trans	-124.7	177.3	161.3	61.6	0	0	0	0	107.3
715	P	43.8	Very low	30	Very low	100 Å²	100	130.5 Å²	130.5	65%	0.649	78%	0.778	S	S	*	*			cis	-138.2	-163.2	12.2	33.5	-8.1	0	0	0	115.4
716	D	27.3	Very low	29.9	Very low	142 Å²	142	129.5 Å²	129.5	76%	0.759	77%	0.772	S	S	*	*			trans	117.5	135.1	142.8	-65.5	-29.6	0	0	0	122.4
717	S	26.6	Very low	29.8	Very low	105 Å²	105	133.5 Å²	133.5	73%	0.734	77%	0.771	S	S	*	*			trans	58.1	93.2	162.8	53.4	0	0	0	0	121.2
718	T	27.2	Very low	29.7	Very low	122 Å²	122	137.4 Å²	137.4	75%	0.748	78%	0.777	S	S	*	*				56.6	104.9	117.6	-46.2	0	0	0	0	119.4
719	A	26.8	Very low	29.5	Very low	102 Å²	102	139.5 Å²	139.5	84%	0.843	78%	0.781	S	S	*	*			trans	-69	143.4	158.1	0	0	0	0	0	111.6
720	M	27	Very low	29.6	Very low	181 Å²	181	132.4 Å²	132.4	89%	0.892	78%	0.775	S	S	*	*			trans	-119.3	147.9	165.1	-77.2	-164.7	166.4	0	0	110.6
721	A	28	Very low	29.7	Very low	83 Å²	83	131.2 Å²	131.2	69%	0.686	77%	0.772	S	S	*	*			trans	-77	155.4	-174.8	0	0	0	0	0	112.6	T723	A721-T723 PolarHBondContact O-N 2.73Å
722	P	29.4	Very low	29.1	Very low	129 Å²	129	132.8 Å²	132.8	84%	0.838	77%	0.772	S	S	*	*			trans	-69.3	109.6	170.1	28.8	-33.3	0	0	0	110.3	V724	P722-V724 PolarHBondContact O-N 3.41Å
723	T	25.9	Very low	28.3	Very low	116 Å²	116	133.2 Å²	133.2	71%	0.712	78%	0.778	S	S	*	*			trans	-67.8	127.1	179	-51.2	0	0	0	0	111.4	A721 F725	A721-T723 PolarHBondContact O-N 2.73Å; T723-F725 PolarHBondContact O-N 3.2Å
724	V	26.2	Very low	28.5	Very low	120 Å²	120	131.6 Å²	131.6	73%	0.727	77%	0.771	S	S	*	*			trans	-69.3	117.9	168.7	175.6	0	0	0	0	109.1	P722 T726	P722-V724 PolarHBondContact O-N 3.41Å; V724-T726 HydrophobicContact CG1-CG2 4.21Å; V724-T726 PolarHBondContact O-N 3.34Å
725	F	23.4	Very low	28.8	Very low	172 Å²	172	134.8 Å²	134.8	75%	0.754	77%	0.768	S	S	*	*			trans	-89.1	93.2	170.1	-98.1	-86.8	0	0	0	110.7	T723 F727	T723-F725 PolarHBondContact O-N 3.2Å; F725-F727 HydrophobicContact CD1-CD2 4.19Å; F725-F727 HydrophobicContact CD1-CE2 4.08Å; F725-F727 HydrophobicContact CE1-CE2 4.16Å
726	T	27.1	Very low	28.3	Very low	120 Å²	120	137.5 Å²	137.5	74%	0.736	78%	0.775	S	S	*	*			trans	-86	132.7	157.8	45.8	0	0	0	0	109.6	V724	V724-T726 HydrophobicContact CG1-CG2 4.21Å; V724-T726 PolarHBondContact O-N 3.34Å
727	F	26.6	Very low	28.7	Very low	179 Å²	179	135.3 Å²	135.3	79%	0.785	76%	0.763	S	S	*	*			trans	-124.7	117.9	160.8	-105	-81.1	0	0	0	109.2	F725	F725-F727 HydrophobicContact CD1-CD2 4.19Å; F725-F727 HydrophobicContact CD1-CE2 4.08Å; F725-F727 HydrophobicContact CE1-CE2 4.16Å
728	H	27.9	Very low	29.3	Very low	189 Å²	189	134 Å²	134	88%	0.875	76%	0.759	S	S	*	*			trans	-134.4	144.1	163.6	-115.8	-73.1	0	0	0	108.2
729	D	27	Very low	29.7	Very low	145 Å²	145	129.5 Å²	129.5	78%	0.775	73%	0.73	S	S	*	*			trans	64.5	104.8	171.2	-151.4	3	0	0	0	117.6
730	A	29	Very low	30.4	Very low	97 Å²	97	130.5 Å²	130.5	80%	0.802	73%	0.726	S	S	*	*			trans	-149.3	102.5	152.9	0	0	0	0	0	108	I732	A730-I732 PolarHBondContact O-N 2.67Å
731	S	32	Very low	30.8	Very low	104 Å²	104	125.2 Å²	125.2	73%	0.727	70%	0.701	S	S	*	*			trans	-67	126.9	169.1	45.6	0	0	0	0	110.5
732	I	27.5	Very low	31.2	Very low	150 Å²	150	128.6 Å²	128.6	77%	0.769	71%	0.708	S	S	*	*			trans	173.4	116	150.3	-92.2	150.6	0	0	0	107.5	A730 K734	A730-I732 PolarHBondContact O-N 2.67Å; I732-K734 HydrophobicContact CG2-CG 4.22Å; I732-K734 PolarHBondContact O-N 3.4Å
733	S	31	Very low	31.5	Very low	121 Å²	121	130.2 Å²	130.2	85%	0.846	71%	0.709	S	S	*	*			trans	-73.7	109.1	174	-53.5	0	0	0	0	110
734	K	29.7	Very low	31.8	Very low	180 Å²	180	134 Å²	134	78%	0.783	72%	0.719	S	S	*	*			trans	-117.5	124.5	162.8	-89.1	-171.9	172.6	-177	0	109.9	I732 I736	I732-K734 HydrophobicContact CG2-CG 4.22Å; I732-K734 PolarHBondContact O-N 3.4Å; K734-I736 PolarHBondContact O-N 3.34Å
735	Y	34.8	Very low	32.1	Very low	173 Å²	173	136.3 Å²	136.3	68%	0.678	72%	0.722	S	S	*	*			trans	-60.1	123.2	177	-62.2	-97.3	0	0	0	109.8	D737	Y735-D737 PolarHBondContact O-N 3Å
736	I	34.2	Very low	32.3	Very low	157 Å²	157	136.5 Å²	136.5	81%	0.805	73%	0.73	S	S	*	*			trans	-85.4	103.5	166.6	-62.3	178.3	0	0	0	106.6	K734	K734-I736 PolarHBondContact O-N 3.34Å
737	D	36.1	Very low	32.4	Very low	96 Å²	96	140.4 Å²	140.4	51%	0.513	73%	0.731	S	S	.	*			trans	-84.6	120.4	176.1	-154.2	7.7	0	0	0	109.2	R34 Y735	R34-D737 IonicContact CZ-OD1 3.86Å; R34-D737 IonicContact CZ-OD2 3.62Å; R34-D737 IonicContact NH1-OD1 2.72Å; R34-D737 PolarHBondContact NH1-OD1 2.82Å; R34-D737 IonicContact NH1-OD2 3.2Å; R34-D737 VanDerWaalsContact NH2-CG 3.25Å; R34-D737 IonicContact NH2-OD1 2.63Å; R34-D737 PolarHBondContact NH2-OD1 2.97Å; R34-D737 IonicContact NH2-OD2 2.75Å; R34-D737 PolarHBondContact NH2-OD2 2.69Å; Y735-D737 PolarHBondContact O-N 3Å
738	A	38	Very low	32.4	Very low	77 Å²	77	138.6 Å²	138.6	64%	0.636	73%	0.73	S	S	*	*			trans	-127.4	23.1	-170	0	0	0	0	0	112.5
739	D	36.5	Very low	32.4	Very low	29 Å²	29	137 Å²	137	16%	0.155	73%	0.725	C	S	.	*			trans	-121	60.4	-178.1	-115.8	-60.2	0	0	0	108.6	L47 R49 T50	L47-D739 HydrophobicContact CD1-CB 3.66Å; L47-D739 VanDerWaalsContact CD1-CG 3.46Å; L47-D739 WeakPolarHBondContact CD1-OD1 3.36Å; L47-D739 HydrophobicContact CG-CB 4.19Å; R49-D739 IonicContact CZ-OD1 2.73Å; R49-D739 IonicContact NE-OD1 2.77Å; R49-D739 PolarHBondContact NE-OD1 2.89Å; R49-D739 PolarHBondContact NH2-O 2.95Å; R49-D739 IonicContact NH2-OD1 2.78Å; R49-D739 PolarHBondContact NH2-OD1 3.5Å; T50-D739 PolarHBondContact OG1-OD2 3.08Å
740	T	40.4	Very low	32.4	Very low	122 Å²	122	135.3 Å²	135.3	75%	0.748	72%	0.721	S	S	*	*			trans	-62.4	143.9	173.9	-42.9	0	0	0	0	110.3
741	D	36.5	Very low	32.3	Very low	70 Å²	70	139.4 Å²	139.4	37%	0.374	72%	0.723	S	S	.	*			trans	-103.5	122	177.9	-65.4	-39.9	0	0	0	111	R33 R49	R33-D741 IonicContact CZ-OD1 2.73Å; R33-D741 IonicContact CZ-OD2 3.21Å; R33-D741 IonicContact NH1-OD2 2.72Å; R33-D741 PolarHBondContact NH1-OD2 3.17Å; R33-D741 IonicContact NH2-OD1 3.51Å; R33-D741 PolarHBondContact NH2-OD1 2.72Å; R33-D741 IonicContact NH2-OD2 3.32Å; R33-D741 PolarHBondContact NH2-OD2 3.36Å; R49-D741 IonicContact CZ-OD1 3.34Å; R49-D741 IonicContact NH1-OD1 3.03Å; R49-D741 PolarHBondContact NH1-OD1 3.22Å; R49-D741 IonicContact NH2-OD1 2.7Å; R49-D741 PolarHBondContact NH2-OD1 3.46Å
742	D	36.3	Very low	32	Very low	155 Å²	155	139.4 Å²	139.4	83%	0.829	73%	0.73	S	S	*	*			trans	-109.4	118.5	161.4	-69.5	-55.5	0	0	0	107.6
743	D	36.3	Very low	31.9	Very low	162 Å²	162	137.7 Å²	137.7	87%	0.866	73%	0.731	S	S	*	*			trans	-142.3	127.7	172.3	-102.7	-49	0	0	0	109.1
744	E	32	Very low	32.6	Very low	196 Å²	196	137 Å²	137	92%	0.916	72%	0.724	S	S	*	*			trans	-105.7	147.9	-172.4	-171.7	174.7	-171.4	0	0	112
745	H	31.7	Very low	32.4	Very low	168 Å²	168	134 Å²	134	78%	0.778	73%	0.726	S	S	*	*			trans	-120.3	104.1	-167.6	-134.5	0.6	0	0	0	112.7
746	L	28.4	Very low	32	Very low	176 Å²	176	131.4 Å²	131.4	92%	0.921	72%	0.723	S	S	*	*			trans	-154.7	171.9	147.3	-135.8	70.6	0	0	0	111.4
747	R	28	Very low	31.6	Very low	202 Å²	202	133.3 Å²	133.3	76%	0.762	72%	0.72	S	S	*	*			trans	-128.9	159.8	-164.1	-64.7	-176	175.6	166.1	-1.7	115.1
748	D	26.8	Very low	31.3	Very low	142 Å²	142	136.1 Å²	136.1	76%	0.759	73%	0.734	S	S	*	*			trans	74.7	162.4	148.3	-65.4	-42.4	0	0	0	120
749	I	28	Very low	31	Very low	154 Å²	154	140.3 Å²	140.3	79%	0.79	75%	0.745	S	S	*	*			trans	90.2	79.4	167.2	-47.7	-173.8	0	0	0	117.5
750	T	27.1	Very low	30.4	Very low	110 Å²	110	144 Å²	144	68%	0.675	78%	0.78	S	S	*	*				80.2	114.3	118	-52	0	0	0	0	122
751	E	26.9	Very low	29.7	Very low	183 Å²	183	142 Å²	142	86%	0.855	78%	0.783	S	S	*	*			trans	70.5	157.1	146	-75	177.7	-175	0	0	123.8
752	A	26.2	Very low	29.2	Very low	105 Å²	105	142.6 Å²	142.6	87%	0.868	81%	0.806	S	S	*	*			trans	76	135.6	157.8	0	0	0	0	0	120.3
753	S	24.1	Very low	29	Very low	113 Å²	113	140.7 Å²	140.7	79%	0.79	81%	0.805	S	S	*	*			trans	-152.9	157.8	172.7	177.5	0	0	0	0	106.8
754	P	46	Very low	29.5	Very low	108 Å²	108	138 Å²	138	70%	0.701	80%	0.796	S	S	*	*			cis	-123.7	176	-43.9	37.6	-26	0	0	0	110.4
755	S	27.1	Very low	29.2	Very low	117 Å²	117	138.5 Å²	138.5	82%	0.818	80%	0.795	S	S	*	*			trans	168.5	162.3	139.4	-82.6	0	0	0	0	115.5
756	D	26.2	Very low	29	Very low	117 Å²	117	141.3 Å²	141.3	63%	0.626	80%	0.799	S	S	*	*			trans	72.9	118.8	151.2	-100.2	-16.2	0	0	0	122.3
757	R	25.8	Very low	28.7	Very low	198 Å²	198	138.1 Å²	138.1	75%	0.747	79%	0.792	S	S	*	*			trans	65.3	126.3	139.9	-65	164.9	-149.9	-156.4	13.6	119.5
758	L	29.3	Very low	28.7	Very low	154 Å²	154	134.6 Å²	134.6	81%	0.806	79%	0.787	S	S	*	*				74.7	121.9	57.2	-76	173.1	0	0	0	115.5
759	L	30.5	Very low	28.6	Very low	165 Å²	165	133.8 Å²	133.8	86%	0.864	78%	0.782	S	S	*	*			trans	74.6	90.3	154.4	-59.6	171.5	0	0	0	120.4
760	A	25.8	Very low	28.7	Very low	107 Å²	107	132.2 Å²	132.2	88%	0.884	77%	0.774	S	S	*	*			trans	-170.8	154.3	130.1	0	0	0	0	0	109.9
761	G	25.2	Very low	28.5	Very low	79 Å²	79	133.9 Å²	133.9	81%	0.814	78%	0.779	S	S	*	*			cis	138	98.1	-8.8	0	0	0	0	0	114
762	G	25.7	Very low	28.4	Very low	83 Å²	83	134.1 Å²	134.1	86%	0.856	77%	0.773	S	S	*	*			trans	103.3	112.4	161.5	0	0	0	0	0	117.5
763	S	32.9	Very low	28.4	Very low	115 Å²	115	136.9 Å²	136.9	80%	0.804	77%	0.768	S	S	*	*			trans	-79.6	168.5	161.1	54.9	0	0	0	0	111.1
764	P	45.3	Very low	28.5	Very low	106 Å²	106	141.5 Å²	141.5	69%	0.688	77%	0.768	S	S	*	*				-160.3	155	99.6	39	-20	0	0	0	118.2
765	K	26.6	Very low	27.5	Very low	206 Å²	206	139.8 Å²	139.8	90%	0.896	77%	0.77	S	S	*	*				-178.4	166.5	114.4	-97.2	165.1	-176.2	176.3	0	112.2
766	R	26.8	Very low	27.5	Very low	227 Å²	227	139.1 Å²	139.1	86%	0.857	76%	0.762	S	S	*	*			trans	-161.1	140.6	-152.3	-169.3	-172.1	-164	-176.8	6.4	113.8
767	S	23.3	Very low	27.7	Very low	110 Å²	110	139.7 Å²	139.7	77%	0.769	77%	0.765	S	S	*	*			trans	-154.1	127.8	157.2	43.2	0	0	0	0	108.7
768	I	28.2	Very low	27.7	Very low	128 Å²	128	138.1 Å²	138.1	66%	0.656	77%	0.765	S	S	*	*			cis	80.4	122.7	42.7	-62	169.2	0	0	0	110.7
769	N	24.8	Very low	27.5	Very low	124 Å²	124	138.2 Å²	138.2	66%	0.663	77%	0.766	S	S	*	*			cis	-154.9	143.2	-3.7	-111	11.8	0	0	0	109.8
770	I	28	Very low	27.3	Very low	122 Å²	122	139.6 Å²	139.6	63%	0.626	77%	0.768	S	S	*	*				73.8	114.5	82.9	-60.7	-178.7	0	0	0	117.5	Y772	I770-Y772 HydrophobicContact CG2-CD2 4.38Å
771	N	23.8	Very low	27.3	Very low	144 Å²	144	139.8 Å²	139.8	77%	0.77	76%	0.759	S	S	*	*				-168.8	127.9	125.1	-96.6	-23.1	0	0	0	108.9
772	Y	25.4	Very low	27.3	Very low	188 Å²	188	140.9 Å²	140.9	74%	0.737	76%	0.76	S	S	*	*				64.4	137.1	84.8	-90.6	-91	0	0	0	113.5	I770	I770-Y772 HydrophobicContact CG2-CD2 4.38Å
773	Q	26.4	Very low	27.4	Very low	163 Å²	163	146 Å²	146	76%	0.762	76%	0.761	S	S	*	*			cis	-159.9	123.1	31.3	-174.1	157.8	-12.4	0	0	114.8
774	R	26.1	Very low	27	Very low	210 Å²	210	150.4 Å²	150.4	79%	0.792	77%	0.766	S	S	*	*				46.5	128.7	126.2	-158.3	-175.5	-157.3	167.1	8.6	124
775	G	23.8	Very low	26.1	Very low	72 Å²	72	154 Å²	154	74%	0.742	78%	0.776	S	S	*	*			trans	-162.8	136.8	149.8	0	0	0	0	0	110.4
776	T	28.6	Very low	26.1	Very low	104 Å²	104	152.3 Å²	152.3	64%	0.638	78%	0.775	S	S	*	*			trans	-151.7	168.9	-163.4	61.4	0	0	0	0	115.7
777	N	28.5	Very low	26.1	Very low	128 Å²	128	145 Å²	145	68%	0.684	77%	0.771	S	S	*	*			trans	82.3	153.2	169.8	-43	1.1	0	0	0	115.1
778	H	27.3	Very low	26.3	Very low	165 Å²	165	148.2 Å²	148.2	76%	0.764	77%	0.774	S	S	*	*			cis	-142.3	149.3	-0.6	-98.9	-68.9	0	0	0	109.5
779	L	25.6	Very low	26.2	Very low	157 Å²	157	149 Å²	149	82%	0.822	78%	0.779	S	S	*	*				175.4	82.4	114.6	-172.1	67.1	0	0	0	110.9
780	E	24.8	Very low	26.2	Very low	193 Å²	193	148.6 Å²	148.6	90%	0.902	79%	0.785	S	S	*	*			trans	-121.8	82	169.6	-165.9	177.4	-158	0	0	108.5
781	T	25.4	Very low	26.2	Very low	112 Å²	112	153.5 Å²	153.5	69%	0.687	80%	0.797	S	S	*	*			trans	-144.6	58.5	-168.7	-40.7	0	0	0	0	113.1
782	A	25.6	Very low	26.3	Very low	101 Å²	101	156.1 Å²	156.1	84%	0.835	80%	0.802	S	S	*	*	S	Bend	trans	-163.3	17.5	167	0	0	0	0	0	118.3
783	Q	27.3	Very low	26.5	Very low	190 Å²	190	152.4 Å²	152.4	89%	0.888	80%	0.801	S	S	*	*	S	Bend	trans	-150.8	59.8	-176.8	-131.8	170.6	15.8	0	0	119
784	K	26.1	Very low	26.5	Very low	209 Å²	209	153 Å²	153	91%	0.909	81%	0.808	S	S	*	*			trans	178.5	112.6	139.7	-102.4	159.5	-174.7	173.1	0	112.5
785	M	26.7	Very low	26.5	Very low	182 Å²	182	151.8 Å²	151.8	90%	0.897	81%	0.812	S	S	*	*			trans	-164	156.9	143.8	-106.3	-56.2	174.9	0	0	109
786	L	25.6	Very low	26.7	Very low	169 Å²	169	151.4 Å²	151.4	89%	0.885	81%	0.808	S	S	*	*			trans	57.9	99.9	173.5	-62.3	170	0	0	0	116.6
787	G	26.9	Very low	26.6	Very low	74 Å²	74	155 Å²	155	76%	0.763	82%	0.822	S	S	*	*			trans	-120.7	119.1	149.2	0	0	0	0	0	109.6
788	Q	28.6	Very low	26.5	Very low	178 Å²	178	160.2 Å²	160.2	83%	0.832	83%	0.832	S	S	*	*			trans	-170.4	147.6	150.9	-112.9	173.9	6.7	0	0	112.5
789	N	25.6	Very low	26.5	Very low	144 Å²	144	155.5 Å²	155.5	77%	0.77	83%	0.828	S	S	*	*			trans	77.4	156.2	163.9	-59	-19	0	0	0	120.3
790	C	24.4	Very low	26.6	Very low	116 Å²	116	157.4 Å²	157.4	78%	0.784	83%	0.829	S	S	*	*			trans	78.8	88.5	171.9	-60.9	0	0	0	0	118.5
791	Y	28.1	Very low	26.8	Very low	225 Å²	225	154.2 Å²	154.2	88%	0.882	83%	0.825	S	S	*	*			trans	-48.8	146.5	153	-74.9	-108.3	0	0	0	112.8
792	F	25	Very low	26.9	Very low	199 Å²	199	156.8 Å²	156.8	87%	0.873	83%	0.829	S	S	*	*			trans	-150.2	165.7	151.3	-90.2	-57.7	0	0	0	109.8
793	P	30.3	Very low	27	Very low	109 Å²	109	161.3 Å²	161.3	71%	0.708	83%	0.833	S	S	*	*				-107.1	163.5	-127.3	39.7	-35.2	0	0	0	115.4
794	L	26	Very low	27.1	Very low	176 Å²	176	157.6 Å²	157.6	92%	0.921	82%	0.819	S	S	*	*			trans	-108.9	88.8	170.3	-162.5	83.5	0	0	0	110.8
795	E	27.1	Very low	27.3	Very low	184 Å²	184	156.1 Å²	156.1	86%	0.86	82%	0.815	S	S	*	*			trans	-84.5	141.5	159.3	-67.1	-174.8	110.2	0	0	109.1
796	G	27.3	Very low	27.4	Very low	65 Å²	65	155.4 Å²	155.4	67%	0.67	81%	0.813	S	S	*	*			cis	171.4	70.1	-1.2	0	0	0	0	0	111.6	R798	G796-R798 PolarHBondContact O-N 3.46Å; G796-R798 VanDerWaalsContact O-N 3.12Å
797	I	27.4	Very low	27.5	Very low	179 Å²	179	150.4 Å²	150.4	92%	0.918	80%	0.803	S	S	*	*			trans	-70.7	108.4	179	-63.5	-179.6	0	0	0	109.7	G799	I797-G799 PolarHBondContact O-N 3.02Å
798	R	26.3	Very low	28.3	Very low	238 Å²	238	153.2 Å²	153.2	90%	0.898	81%	0.808	S	S	*	*			trans	-83.6	74.3	-169	-161.5	-177.2	-161.2	-177.2	8.6	113.5	G796	G796-R798 PolarHBondContact O-N 3.46Å; G796-R798 VanDerWaalsContact O-N 3.12Å
799	G	26.1	Very low	28.4	Very low	66 Å²	66	151.8 Å²	151.8	68%	0.68	81%	0.806	S	S	*	*			trans	-67.1	131.2	161.8	0	0	0	0	0	111.2	I797	I797-G799 PolarHBondContact O-N 3.02Å
800	K	28.5	Very low	29.7	Very low	196 Å²	196	150.6 Å²	150.6	85%	0.852	81%	0.806	S	S	*	*			trans	-91	139.1	167.3	-76	-174.8	175.5	-175.8	0	110.1
801	P	28.7	Very low	29.9	Very low	126 Å²	126	149.6 Å²	149.6	82%	0.818	81%	0.806	S	S	*	*			trans	-107.4	162	138.4	-4.3	24.1	0	0	0	111.6
802	H	26.8	Very low	30	Very low	166 Å²	166	151 Å²	151	77%	0.769	81%	0.809	S	S	*	*			trans	-91.8	148.1	163.2	-112.7	-93.3	0	0	0	108.9
803	E	28	Very low	30.2	Very low	196 Å²	196	153 Å²	153	92%	0.916	81%	0.811	S	S	*	*			trans	-155.6	163.4	143.4	-127	164.8	-155.9	0	0	111.4
804	N	29.5	Very low	31	Very low	112 Å²	112	153.8 Å²	153.8	60%	0.599	82%	0.817	S	S	*	*			trans	-133	143.1	-160.4	-68.4	-28.6	0	0	0	113.5
805	H	29.4	Very low	31.3	Very low	178 Å²	178	155.3 Å²	155.3	82%	0.824	82%	0.816	S	S	*	*			trans	63.9	150.9	165.8	-47.3	-55.4	0	0	0	114.8
806	I	29.5	Very low	31.4	Very low	167 Å²	167	151.1 Å²	151.1	86%	0.856	81%	0.812	S	S	*	*			cis	-149.5	162.7	39.9	-74.7	172.8	0	0	0	109.7
807	G	27.8	Very low	31.6	Very low	64 Å²	64	156 Å²	156	66%	0.66	82%	0.818	S	S	*	*			trans	-85.9	-161	176.3	0	0	0	0	0	115.1
808	P	43.5	Very low	31.8	Very low	134 Å²	134	158.7 Å²	158.7	87%	0.87	82%	0.816	S	S	*	*			cis	-133.6	177.3	24.7	41.5	-24.1	0	0	0	117.6
809	D	31.9	Very low	31.9	Very low	148 Å²	148	150.8 Å²	150.8	79%	0.791	81%	0.809	S	S	*	*			trans	-75.6	-175.8	170.5	-127.6	-9.9	0	0	0	111.5
810	P	51.7	Low	32.1	Very low	118 Å²	118	158.8 Å²	158.8	77%	0.766	82%	0.819	S	S	*	*			cis	-142.4	156.6	18.4	40.5	-20.3	0	0	0	119.8
811	A	28.8	Very low	32.3	Very low	95 Å²	95	157.9 Å²	157.9	79%	0.785	82%	0.818	S	S	*	*			trans	-152.6	102	155.3	0	0	0	0	0	116.4
812	R	30.1	Very low	32.5	Very low	254 Å²	254	158.8 Å²	158.8	96%	0.958	82%	0.816	S	S	*	*			trans	30.9	118	155.8	-67.4	-175.4	175.5	178.2	-0.6	123.2
813	R	30.3	Very low	32.9	Very low	241 Å²	241	157.2 Å²	157.2	91%	0.909	82%	0.818	S	S	*	*			trans	-45.3	172	152.2	-82.3	-176	-174.1	-171.5	3.6	116.5
814	P	46.2	Very low	33.3	Very low	127 Å²	127	156.4 Å²	156.4	83%	0.825	82%	0.819	S	S	*	*			cis	-138.9	-179.8	26.9	37.5	-15.7	0	0	0	119.8
815	K	32.9	Very low	33.8	Very low	207 Å²	207	156.3 Å²	156.3	90%	0.9	82%	0.818	S	S	*	*			trans	-119.4	158	176.4	-67.2	179.8	173.5	-177.1	0	112.2
816	A	29	Very low	34.3	Very low	96 Å²	96	156.3 Å²	156.3	79%	0.793	82%	0.816	S	S	*	*			trans	-158.9	140.7	137.2	0	0	0	0	0	107
817	E	32.2	Very low	34.8	Very low	167 Å²	167	151.8 Å²	151.8	78%	0.78	81%	0.81	S	S	*	*			cis	106.6	136.7	16	-162.5	-177.2	-92.7	0	0	114.3
818	R	30.7	Very low	35.2	Very low	236 Å²	236	160.6 Å²	160.6	89%	0.891	84%	0.841	S	S	*	*			trans	81.8	147.8	-175.6	-50.4	177.3	-174	-173.9	0.8	114.5
819	G	28.3	Very low	34.8	Very low	73 Å²	73	162 Å²	162	75%	0.753	84%	0.84	S	S	*	*			cis	-171.1	-174	-0.5	0	0	0	0	0	114.6
820	R	31.2	Very low	34.9	Very low	234 Å²	234	162.7 Å²	162.7	88%	0.883	84%	0.842	S	S	*	*			trans	-52.8	150.6	173.8	-69.6	171.2	166.6	169.8	-5.8	112.2
821	Q	31.2	Very low	34	Very low	177 Å²	177	165.2 Å²	165.2	83%	0.827	85%	0.846	S	S	*	*				179.2	175.4	87.9	-138.4	138.2	-57.6	0	0	113.4
822	N	33.2	Very low	34.3	Very low	144 Å²	144	169.3 Å²	169.3	77%	0.77	85%	0.85	S	S	*	*			trans	-83.3	-178.2	-175.2	-64.1	-14.1	0	0	0	113.9
823	T	35.8	Very low	34.5	Very low	134 Å²	134	164 Å²	164	82%	0.822	84%	0.843	S	S	*	*			trans	68	117.7	156.1	50.3	0	0	0	0	119.3
824	L	35.6	Very low	34.8	Very low	179 Å²	179	158.9 Å²	158.9	94%	0.937	84%	0.839	S	S	*	*				-149.6	150.5	129.1	-115.9	154.5	0	0	0	109.5
825	D	40.9	Very low	34	Very low	109 Å²	109	161.1 Å²	161.1	58%	0.583	84%	0.84	S	S	*	*			trans	-140.1	138.5	-169.7	172.8	31.1	0	0	0	109.1
826	K	39.9	Very low	34.1	Very low	179 Å²	179	157.6 Å²	157.6	78%	0.778	84%	0.835	S	S	*	*			trans	57.3	155.5	-178.3	-65.2	133.2	-171.7	151.3	0	117
827	G	39.8	Very low	34.5	Very low	71 Å²	71	162.8 Å²	162.8	73%	0.732	84%	0.839	S	S	*	*			trans	167.2	-13.7	147.9	0	0	0	0	0	122.3
828	L	35.4	Very low	34.7	Very low	250 Å²	250	162.4 Å²	162.4	100%	1.309	84%	0.844	S	S	*	*			trans	-170.2	0	168.2	-107.7	156	0	0	0	111.5

Retrieved 828 of 828 residues in 405 ms (Link to these results)

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