A0A096LRP6_POEFO Loading...

Myelin protein zero

AlphaFold DB , UniProt , Accession A0A096LRP6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 205 aa.

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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	55.3	Low	56.1	Low	202 Å²	202	115.8 Å²	115.8	100%	0.995	63%	0.632	S	S	*	*				0	-48.7	0	-72.9	-170.2	152.7	0	0	113.2	R3 V4 L5	M1-R3 VanDerWaalsContact C-N 3.34Å; M1-R3 PolarHBondContact O-N 3.21Å; M1-V4 PolarHBondContact O-N 3.39Å; M1-L5 PolarHBondContact O-N 3.46Å
2	L	53.3	Low	55.9	Low	151 Å²	151	118 Å²	118	79%	0.791	64%	0.641	S	S	*	*	H	α-helix	trans	-55.4	-38.5	177.5	-114.4	76	0	0	0	115.3	V4 L5 A6	L2-V4 PolarHBondContact O-N 3.29Å; L2-L5 PolarHBondContact O-N 3.29Å; L2-A6 WeakPolarHBondContact O-CB 3.41Å; L2-A6 PolarHBondContact O-N 3.45Å
3	R	52.8	Low	55.8	Low	217 Å²	217	120.2 Å²	120.2	82%	0.819	65%	0.651	S	S	*	*	H	α-helix	trans	-67.8	-31.9	179.6	-69.6	-170.4	174.4	-168.5	-1.5	113.9	M1 L7	M1-R3 VanDerWaalsContact C-N 3.34Å; M1-R3 PolarHBondContact O-N 3.21Å; R3-L7 VanDerWaalsContact O-CG 3.31Å; R3-L7 WeakPolarHBondContact O-CG 3.37Å; R3-L7 PolarHBondContact O-N 3.38Å; R3-L7 VanDerWaalsContact O-N 3.11Å
4	V	58.2	Low	55.9	Low	107 Å²	107	116.2 Å²	116.2	65%	0.648	65%	0.652	S	S	*	*	H	α-helix	trans	-74.1	-39.3	178.9	-178.7	0	0	0	0	110.1	M1 L2 L7 A8	M1-V4 PolarHBondContact O-N 3.39Å; L2-V4 PolarHBondContact O-N 3.29Å; V4-L7 PolarHBondContact O-N 3.29Å; V4-A8 WeakPolarHBondContact O-CB 3.41Å; V4-A8 PolarHBondContact O-N 3.01Å
5	L	57.8	Low	56.1	Low	121 Å²	121	117.6 Å²	117.6	63%	0.634	66%	0.655	S	S	*	*	H	α-helix	trans	-65.7	-40.8	174.2	-69	167.1	0	0	0	111.9	M1 L2 A8 S9	M1-L5 PolarHBondContact O-N 3.46Å; L2-L5 PolarHBondContact O-N 3.29Å; L5-A8 PolarHBondContact O-N 3.43Å; L5-S9 PolarHBondContact O-N 3.2Å; L5-S9 PolarHBondContact O-OG 3.44Å; L5-S9 VanDerWaalsContact O-OG 3.13Å
6	A	57.8	Low	56.2	Low	52 Å²	52	115.4 Å²	115.4	43%	0.43	66%	0.657	S	S	.	*	H	α-helix	trans	-63.6	-41.6	175.9	0	0	0	0	0	112.4	L2 S9 V10	L2-A6 WeakPolarHBondContact O-CB 3.41Å; L2-A6 PolarHBondContact O-N 3.45Å; A6-S9 WeakPolarHBondContact CA-OG 3.34Å; A6-S9 PolarHBondContact O-N 3.3Å; A6-S9 PolarHBondContact O-OG 2.96Å; A6-V10 WeakPolarHBondContact O-CG2 3.31Å; A6-V10 PolarHBondContact O-N 3.41Å; A6-V10 VanDerWaalsContact O-N 3.11Å
7	L	56.3	Low	56.5	Low	117 Å²	117	115.5 Å²	115.5	61%	0.613	66%	0.663	S	S	*	*	H	α-helix	trans	-67.1	-40.8	175.3	-72.2	168.2	0	0	0	111.9	R3 V4 S9 V10 V11	R3-L7 VanDerWaalsContact O-CG 3.31Å; R3-L7 WeakPolarHBondContact O-CG 3.37Å; R3-L7 PolarHBondContact O-N 3.38Å; R3-L7 VanDerWaalsContact O-N 3.11Å; V4-L7 PolarHBondContact O-N 3.29Å; L7-S9 VanDerWaalsContact C-N 3.33Å; L7-S9 PolarHBondContact O-N 3.34Å; L7-V10 PolarHBondContact O-N 3.4Å; L7-V11 WeakPolarHBondContact O-CG2 3.36Å; L7-V11 PolarHBondContact O-N 2.97Å
8	A	55.9	Low	56.9	Low	48 Å²	48	117.6 Å²	117.6	40%	0.397	67%	0.666	S	S	.	*	H	α-helix	trans	-61.8	-39.5	175.2	0	0	0	0	0	112.2	V4 L5 V11 L12	V4-A8 WeakPolarHBondContact O-CB 3.41Å; V4-A8 PolarHBondContact O-N 3.01Å; L5-A8 PolarHBondContact O-N 3.43Å; A8-V11 PolarHBondContact O-N 3.1Å; A8-L12 WeakPolarHBondContact O-CD1 3.32Å; A8-L12 PolarHBondContact O-N 3.07Å; A8-L12 VanDerWaalsContact O-N 3.1Å
9	S	55.8	Low	57.2	Low	59 Å²	59	114.7 Å²	114.7	41%	0.413	66%	0.658	S	S	.	*	H	α-helix	trans	-66.9	-35.5	174.5	50	0	0	0	0	113.5	L5 A6 L7 L12 L13	L5-S9 PolarHBondContact O-N 3.2Å; L5-S9 PolarHBondContact O-OG 3.44Å; L5-S9 VanDerWaalsContact O-OG 3.13Å; A6-S9 WeakPolarHBondContact CA-OG 3.34Å; A6-S9 PolarHBondContact O-N 3.3Å; A6-S9 PolarHBondContact O-OG 2.96Å; L7-S9 VanDerWaalsContact C-N 3.33Å; L7-S9 PolarHBondContact O-N 3.34Å; S9-L12 PolarHBondContact O-N 3.08Å; S9-L13 WeakPolarHBondContact O-CD1 3.36Å; S9-L13 PolarHBondContact O-N 3.41Å
10	V	56.4	Low	57.6	Low	101 Å²	101	112.2 Å²	112.2	61%	0.612	65%	0.648	S	S	*	*	H	α-helix	trans	-70.2	-36.5	176.6	172.4	0	0	0	0	111.4	A6 L7 L13 G14	A6-V10 WeakPolarHBondContact O-CG2 3.31Å; A6-V10 PolarHBondContact O-N 3.41Å; A6-V10 VanDerWaalsContact O-N 3.11Å; L7-V10 PolarHBondContact O-N 3.4Å; V10-L13 PolarHBondContact O-N 3.23Å; V10-G14 PolarHBondContact O-N 2.99Å
11	V	57	Low	58.1	Low	99 Å²	99	111.1 Å²	111.1	60%	0.6	64%	0.637	S	S	*	*	H	α-helix	trans	-67.4	-37.8	175.5	173.3	0	0	0	0	111.6	L7 A8 G14	L7-V11 WeakPolarHBondContact O-CG2 3.36Å; L7-V11 PolarHBondContact O-N 2.97Å; A8-V11 PolarHBondContact O-N 3.1Å; V11-G14 PolarHBondContact O-N 3.05Å
12	L	54	Low	59.4	Low	142 Å²	142	104.5 Å²	104.5	74%	0.743	61%	0.614	S	S	*	*	H	α-helix	trans	-71.3	-27.5	178	-79.6	158.2	0	0	0	113.7	A8 S9	A8-L12 WeakPolarHBondContact O-CD1 3.32Å; A8-L12 PolarHBondContact O-N 3.07Å; A8-L12 VanDerWaalsContact O-N 3.1Å; S9-L12 PolarHBondContact O-N 3.08Å
13	L	54.9	Low	61.2	Low	146 Å²	146	97.5 Å²	97.5	76%	0.764	58%	0.578	S	S	*	*	H	α-helix	trans	-80.2	-15.2	175.6	-90.1	146.4	0	0	0	113.8	S9 V10	S9-L13 WeakPolarHBondContact O-CD1 3.36Å; S9-L13 PolarHBondContact O-N 3.41Å; V10-L13 PolarHBondContact O-N 3.23Å
14	G	56.4	Low	63.2	Low	65 Å²	65	90 Å²	90	67%	0.67	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-11.4	-178.2	0	0	0	0	0	115.4	V10 V11	V10-G14 PolarHBondContact O-N 2.99Å; V11-G14 PolarHBondContact O-N 3.05Å
15	I	59.5	Low	65.1	Low	137 Å²	137	85.4 Å²	85.4	70%	0.703	53%	0.528	S	S	*	.			trans	-111.4	58.1	-178.3	-39.9	174.1	0	0	0	109.1	P17	I15-P17 VanDerWaalsContact O-CD 3.22Å; I15-P17 WeakPolarHBondContact O-CD 3.44Å
16	A	58	Low	67	Low	82 Å²	82	85.2 Å²	85.2	68%	0.678	52%	0.52	S	S	*	.			trans	-74.8	113.5	162.7	0	0	0	0	0	107.2	Q18	A16-Q18 PolarHBondContact O-N 3.04Å; A16-Q18 VanDerWaalsContact O-N 3.12Å
17	P	61.7	Low	68.9	Low	118 Å²	118	84.1 Å²	84.1	77%	0.766	51%	0.508	S	S	*	.			trans	-57.8	123.2	174.3	22.5	-30.6	0	0	0	108.1	I15 A19	I15-P17 VanDerWaalsContact O-CD 3.22Å; I15-P17 WeakPolarHBondContact O-CD 3.44Å; P17-A19 PolarHBondContact O-N 3Å
18	Q	63	Low	70.8	Confident	153 Å²	153	80 Å²	80	72%	0.715	49%	0.489	S	S	*	.			trans	-58.5	109.4	173.3	-79.5	176.1	-2.8	0	0	107.5	A16 S20	A16-Q18 PolarHBondContact O-N 3.04Å; A16-Q18 VanDerWaalsContact O-N 3.12Å; Q18-S20 PolarHBondContact O-N 3.32Å
19	A	63.1	Low	72.5	Confident	63 Å²	63	87.3 Å²	87.3	52%	0.521	51%	0.507	S	S	.	.			trans	-57.7	114.1	178.6	0	0	0	0	0	108.9	P17 Q21 R49	P17-A19 PolarHBondContact O-N 3Å; A19-Q21 PolarHBondContact O-N 3.37Å; A19-R49 PolarHBondContact O-NH2 3.47Å
20	S	63.8	Low	74.4	Confident	64 Å²	64	86.5 Å²	86.5	45%	0.448	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-66.4	122	171	61	0	0	0	0	108	Q18 P126	Q18-S20 PolarHBondContact O-N 3.32Å; S20-P126 WeakPolarHBondContact CB-O 3.31Å
21	Q	69.4	Low	76.2	Confident	89 Å²	89	85.6 Å²	85.6	42%	0.416	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-88.9	161.5	174	-70.7	-78.9	-35.7	0	0	109.7	A19 D127	A19-Q21 PolarHBondContact O-N 3.37Å; Q21-D127 PolarHBondContact N-OD1 3.3Å
22	A	81.8	Confident	78	Confident	63 Å²	63	86.3 Å²	86.3	52%	0.521	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	129.3	175.4	0	0	0	0	0	110.5	V129	A22-V129 CarbonylContact C-O 3.6Å; A22-V129 WeakPolarHBondContact CA-O 3.34Å
23	I	92.2	Very high	79.9	Confident	4 Å²	4	80.2 Å²	80.2	2%	0.021	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	138.1	169.7	-170.2	179.1	0	0	0	109.3	F45 F46 A122 N124 V129 G130	I23-F45 HydrophobicContact CD1-CB 3.85Å; I23-F45 HydrophobicContact CD1-CD1 4.35Å; I23-F45 HydrophobicContact CD1-CD2 3.42Å; I23-F45 VanDerWaalsContact CD1-CD2 3.42Å; I23-F45 HydrophobicContact CD1-CE2 3.94Å; I23-F45 HydrophobicContact CD1-CG 3.63Å; I23-F45 HydrophobicContact CG1-CB 3.92Å; I23-F45 HydrophobicContact CG1-CD2 3.7Å; I23-F45 HydrophobicContact CG1-CG 4.07Å; I23-F46 WeakPolarHBondContact CG1-O 3.31Å; I23-A122 HydrophobicContact CD1-CB 4.36Å; I23-N124 HydrophobicContact CD1-CB 3.88Å; I23-V129 PolarHBondContact N-O 3Å; I23-G130 WeakPolarHBondContact O-CA 3.46Å
24	T	95.1	Very high	81.8	Confident	61 Å²	61	76 Å²	76	37%	0.374	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	125.2	175.6	-55.1	0	0	0	0	109.5	Y26 F45 F46	T24-Y26 HydrophobicContact CG2-CD1 4.44Å; T24-Y26 HydrophobicContact CG2-CE1 3.72Å; T24-Y26 HydrophobicContact CG2-CE2 4.05Å; T24-Y26 VanDerWaalsContact CG2-CZ 3.49Å; T24-Y26 WeakPolarHBondContact CG2-OH 3.36Å; T24-F45 CarbonylContact O-C 3.53Å; T24-F45 WeakPolarHBondContact O-CA 3.33Å; T24-F45 WeakPolarHBondContact O-CB 3.47Å; T24-F46 PolarHBondContact N-O 3.02Å; T24-F46 PolarHBondContact O-N 3.48Å
25	V	97.4	Very high	83.6	Confident	10 Å²	10	75.3 Å²	75.3	6%	0.061	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	135.2	180	-170.5	0	0	0	0	109.5	S44 C120 A122 S133	V25-S44 CarbonylContact C-O 3.6Å; V25-S44 WeakPolarHBondContact CA-O 3.33Å; V25-C120 HydrophobicContact CG1-CB 4.46Å; V25-A122 HydrophobicContact CG1-CB 4.34Å; V25-A122 HydrophobicContact CG2-CB 3.9Å; V25-S133 WeakPolarHBondContact O-CB 3.03Å; V25-S133 PolarHBondContact O-OG 2.72Å
26	Y	97.6	Very high	85.2	Confident	116 Å²	116	70.8 Å²	70.8	46%	0.455	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.4	-179.4	-56.4	-76.8	0	0	0	110.3	T24 C43 S44 F46	T24-Y26 HydrophobicContact CG2-CD1 4.44Å; T24-Y26 HydrophobicContact CG2-CE1 3.72Å; T24-Y26 HydrophobicContact CG2-CE2 4.05Å; T24-Y26 VanDerWaalsContact CG2-CZ 3.49Å; T24-Y26 WeakPolarHBondContact CG2-OH 3.36Å; Y26-C43 CarbonylContact O-C 3.59Å; Y26-C43 WeakPolarHBondContact O-CA 3.45Å; Y26-S44 PolarHBondContact N-O 3.33Å; Y26-S44 PolarHBondContact O-N 3.03Å; Y26-F46 HydrophobicContact CE2-CB 3.66Å
27	T	97.9	Very high	87	Confident	29 Å²	29	68.7 Å²	68.7	18%	0.178	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	170	164.3	56.3	0	0	0	0	109	S42 C43 W59 C120 S133 S134	T27-S42 WeakPolarHBondContact CA-O 3.26Å; T27-C43 HydrophobicContact CG2-CB 4.12Å; T27-W59 HydrophobicContact CG2-CH2 4.08Å; T27-C120 HydrophobicContact CG2-CB 3.87Å; T27-S133 PolarHBondContact N-OG 3Å; T27-S133 PolarHBondContact OG1-OG 2.89Å; T27-S133 VanDerWaalsContact OG1-OG 3.08Å; T27-S134 PolarHBondContact OG1-N 2.95Å; T27-S134 PolarHBondContact OG1-O 2.99Å
28	S	95.8	Very high	88.7	Confident	32 Å²	32	67.4 Å²	67.4	22%	0.224	36%	0.363	C	S	.	.			trans	-66	156.4	165	-60.4	0	0	0	0	110.4	V135	S28-V135 WeakPolarHBondContact O-CA 3.39Å; S28-V135 WeakPolarHBondContact O-CB 3.47Å; S28-V135 WeakPolarHBondContact O-CG2 3.43Å
29	W	91.3	Very high	90.3	Very high	201 Å²	201	60.6 Å²	60.6	76%	0.761	33%	0.332	S	S	*	.	S	Bend	trans	-71.7	-47.5	174.9	72.4	-82.3	0	0	0	111	R136	W29-R136 PolarHBondContact O-N 3.45Å
30	E	95.1	Very high	92	Very high	41 Å²	41	62.2 Å²	62.2	19%	0.192	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	151.2	-179.7	-173.5	168.1	97.2	0	0	110.3	H32 R136 L138	E30-H32 IonicContact OE1-CD2 3.63Å; E30-H32 IonicContact OE1-CE1 3.59Å; E30-H32 IonicContact OE1-NE2 2.67Å; E30-H32 PolarHBondContact OE1-NE2 3.09Å; E30-R136 CarbonylContact C-O 3.51Å; E30-R136 VanDerWaalsContact CA-O 3.29Å; E30-R136 WeakPolarHBondContact CA-O 3.35Å; E30-R136 HydrophobicContact CG-CB 4.47Å; E30-L138 VanDerWaalsContact CD-CD1 3.45Å; E30-L138 HydrophobicContact CG-CD1 4.06Å; E30-L138 HydrophobicContact CG-CG 4.38Å
31	R	95.9	Very high	93.6	Very high	83 Å²	83	59.2 Å²	59.2	31%	0.313	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	131.7	176.2	-63.8	-67.3	-89.5	-152.1	-7.3	109.2	R40 L41 V135 R136 L137 L138	R31-R40 PolarHBondContact NH2-O 2.91Å; R31-L41 HydrophobicContact CB-CD2 4.28Å; R31-L41 HydrophobicContact CG-CD2 4.12Å; R31-V135 HydrophobicContact CB-CG2 4.32Å; R31-V135 HydrophobicContact CG-CG2 3.6Å; R31-R136 PolarHBondContact N-O 3.41Å; R31-L137 HydrophobicContact CB-CD1 4.19Å; R31-L137 WeakPolarHBondContact O-CA 3.35Å; R31-L138 PolarHBondContact O-N 2.84Å
32	H	94.6	Very high	95	Very high	114 Å²	114	57 Å²	57	53%	0.528	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	135.3	175.1	-61	178.8	0	0	0	108.6	E30 L138 F140	E30-H32 IonicContact OE1-CD2 3.63Å; E30-H32 IonicContact OE1-CE1 3.59Å; E30-H32 IonicContact OE1-NE2 2.67Å; E30-H32 PolarHBondContact OE1-NE2 3.09Å; H32-L138 VanDerWaalsContact CA-O 3.31Å; H32-L138 WeakPolarHBondContact CA-O 3.32Å; H32-F140 HydrophobicContact CB-CD2 4.19Å; H32-F140 HydrophobicContact CB-CE2 3.86Å; H32-F140 AromaticContact CD2-CE2 3.87Å; H32-F140 AromaticContact CG-CE2 3.6Å; H32-F140 AromaticContact ND1-CE2 3.87Å
33	A	93.9	Very high	95.8	Very high	13 Å²	13	54 Å²	54	11%	0.107	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	164.4	177.1	0	0	0	0	0	110.1	V39 L110 L137 L138 V139 F140	A33-V39 HydrophobicContact CB-CB 3.98Å; A33-V39 HydrophobicContact CB-CG2 4.1Å; A33-L110 HydrophobicContact CB-CD1 3.27Å; A33-L137 HydrophobicContact CB-CD1 4.26Å; A33-L138 PolarHBondContact N-O 2.67Å; A33-V139 WeakPolarHBondContact O-CA 3.32Å; A33-F140 PolarHBondContact O-N 3.15Å
34	L	93.3	Very high	96.1	Very high	57 Å²	57	56.2 Å²	56.2	30%	0.298	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	149.3	-178.8	-61.5	171.8	0	0	0	110.6	G36 S37 F140 T142 V145	L34-G36 PolarHBondContact O-N 3.48Å; L34-S37 PolarHBondContact N-OG 3.46Å; L34-S37 WeakPolarHBondContact O-CB 3.16Å; L34-S37 PolarHBondContact O-N 3.35Å; L34-S37 PolarHBondContact O-OG 3.36Å; L34-F140 CarbonylContact C-O 3.58Å; L34-F140 VanDerWaalsContact CA-O 3.22Å; L34-F140 WeakPolarHBondContact CA-O 3.25Å; L34-F140 HydrophobicContact CD2-CB 4.49Å; L34-T142 HydrophobicContact CD1-CG2 3.81Å; L34-T142 HydrophobicContact CD2-CG2 4.43Å; L34-V145 HydrophobicContact CD1-CG2 4.32Å; L34-V145 HydrophobicContact CD2-CG2 3.51Å
35	V	94.5	Very high	96.1	Very high	51 Å²	51	53.7 Å²	53.7	31%	0.309	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	137	168	177.9	0	0	0	0	109.7	S37 F112 V139 F140	V35-S37 PolarHBondContact O-N 2.93Å; V35-F112 HydrophobicContact CG2-CD1 3.69Å; V35-F112 HydrophobicContact CG2-CD2 3.89Å; V35-F112 HydrophobicContact CG2-CE1 3.41Å; V35-F112 VanDerWaalsContact CG2-CE1 3.41Å; V35-F112 HydrophobicContact CG2-CE2 3.63Å; V35-F112 HydrophobicContact CG2-CG 3.94Å; V35-F112 HydrophobicContact CG2-CZ 3.4Å; V35-F112 VanDerWaalsContact CG2-CZ 3.4Å; V35-V139 HydrophobicContact CB-CG1 4.37Å; V35-V139 HydrophobicContact CG2-CG1 3.56Å; V35-F140 PolarHBondContact N-O 3.35Å
36	G	94.3	Very high	96	Very high	42 Å²	42	57 Å²	57	43%	0.433	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	-7	-177.2	0	0	0	0	0	115.1	L34 N109 L110	L34-G36 PolarHBondContact O-N 3.48Å; G36-N109 WeakPolarHBondContact CA-OD1 3.45Å; G36-L110 PolarHBondContact N-O 2.89Å
37	S	95.6	Very high	95.8	Very high	39 Å²	39	51.6 Å²	51.6	27%	0.273	27%	0.266	S	S	.	.			trans	-86.8	167	174.9	74.5	0	0	0	0	112.2	L34 V35 N109 L110	L34-S37 PolarHBondContact N-OG 3.46Å; L34-S37 WeakPolarHBondContact O-CB 3.16Å; L34-S37 PolarHBondContact O-N 3.35Å; L34-S37 PolarHBondContact O-OG 3.36Å; V35-S37 PolarHBondContact O-N 2.93Å; S37-N109 PolarHBondContact O-N 3.21Å; S37-L110 WeakPolarHBondContact O-CB 3.32Å; S37-L110 VanDerWaalsContact O-CG 3.3Å; S37-L110 WeakPolarHBondContact O-CG 3.43Å; S37-L110 PolarHBondContact O-N 3.18Å
38	D	97.2	Very high	95.4	Very high	90 Å²	90	59.4 Å²	59.4	48%	0.481	29%	0.292	S	S	.	.			trans	-100	142.6	173.2	-62.1	-8.7	0	0	0	110.1	L106 I107 K108 N109	D38-L106 HydrophobicContact CB-CD1 4.12Å; D38-I107 CarbonylContact C-O 3.58Å; D38-I107 VanDerWaalsContact CA-O 3.32Å; D38-I107 WeakPolarHBondContact CA-O 3.28Å; D38-K108 WeakPolarHBondContact OD1-CA 3.23Å; D38-N109 PolarHBondContact OD1-N 3.32Å
39	V	97.2	Very high	95.2	Very high	10 Å²	10	62.5 Å²	62.5	6%	0.061	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	129.7	177.8	69.8	0	0	0	0	112.2	A33 L41 L106 I107 L110 L137	A33-V39 HydrophobicContact CB-CB 3.98Å; A33-V39 HydrophobicContact CB-CG2 4.1Å; V39-L41 HydrophobicContact CG1-CD2 4.43Å; V39-L41 HydrophobicContact CG2-CD2 4.21Å; V39-L106 WeakPolarHBondContact O-CA 3.44Å; V39-I107 HydrophobicContact CG1-CB 4.06Å; V39-I107 PolarHBondContact N-O 2.87Å; V39-I107 PolarHBondContact O-N 2.95Å; V39-L110 HydrophobicContact CB-CD1 3.88Å; V39-L110 HydrophobicContact CG1-CD1 3.69Å; V39-L110 HydrophobicContact CG1-CD2 3.92Å; V39-L110 HydrophobicContact CG1-CG 4.17Å; V39-L137 HydrophobicContact CG1-CD1 4.05Å; V39-L137 HydrophobicContact CG1-CD2 4.08Å; V39-L137 HydrophobicContact CG2-CD1 4.15Å
40	R	97.9	Very high	95.2	Very high	98 Å²	98	61.9 Å²	61.9	37%	0.37	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	119.7	168.5	-174.9	-178.7	179.5	117.4	-0.7	109.9	R31 V95 D102 S104 I105 L106	R31-R40 PolarHBondContact NH2-O 2.91Å; R40-V95 HydrophobicContact CG-CG2 4.34Å; R40-V95 PolarHBondContact NH2-O 3.45Å; R40-D102 IonicContact NH2-OD2 2.76Å; R40-D102 PolarHBondContact NH2-OD2 3.05Å; R40-S104 PolarHBondContact NH2-OG 3Å; R40-I105 WeakPolarHBondContact CA-O 3.41Å; R40-L106 HydrophobicContact CB-CD1 4.32Å
41	L	98.4	Very high	95.2	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	110.7	170.1	-58.6	-175.2	0	0	0	109.1	R31 V39 W59 S104 I105 I107 F118 V135	R31-L41 HydrophobicContact CB-CD2 4.28Å; R31-L41 HydrophobicContact CG-CD2 4.12Å; V39-L41 HydrophobicContact CG1-CD2 4.43Å; V39-L41 HydrophobicContact CG2-CD2 4.21Å; L41-W59 HydrophobicContact CB-CH2 3.78Å; L41-W59 HydrophobicContact CB-CZ2 4.15Å; L41-W59 HydrophobicContact CB-CZ3 4.37Å; L41-W59 HydrophobicContact CD1-CZ3 4.36Å; L41-S104 VanDerWaalsContact O-CA 3.31Å; L41-S104 WeakPolarHBondContact O-CA 3.41Å; L41-S104 WeakPolarHBondContact O-CB 3.34Å; L41-I105 HydrophobicContact CB-CG1 4.07Å; L41-I105 HydrophobicContact CD1-CD1 4.38Å; L41-I105 PolarHBondContact N-O 3.36Å; L41-I105 PolarHBondContact O-N 3.33Å; L41-I105 VanDerWaalsContact O-N 3.14Å; L41-I107 HydrophobicContact CD1-CD1 3.71Å; L41-I107 HydrophobicContact CG-CD1 4.37Å; L41-F118 HydrophobicContact CD1-CB 3.67Å; L41-F118 HydrophobicContact CD1-CD1 3.64Å; L41-F118 HydrophobicContact CD1-CD2 3.83Å; L41-F118 HydrophobicContact CD1-CE1 4.21Å; L41-F118 HydrophobicContact CD1-CE2 4.39Å; L41-F118 HydrophobicContact CD1-CG 3.42Å; L41-F118 VanDerWaalsContact CD1-CG 3.42Å; L41-V135 HydrophobicContact CB-CG1 4.48Å; L41-V135 HydrophobicContact CD1-CG1 4.24Å; L41-V135 HydrophobicContact CD2-CG1 4.14Å
42	S	98.1	Very high	95.1	Very high	43 Å²	43	59.3 Å²	59.3	30%	0.301	30%	0.3	S	S	.	.			trans	-79.2	131.5	-178.1	-58.6	0	0	0	0	111.5	T27 S104	T27-S42 WeakPolarHBondContact CA-O 3.26Å; S42-S104 WeakPolarHBondContact CA-OG 3.34Å
43	C	98.3	Very high	95	Very high	1 Å²	1	61 Å²	61	1%	0.007	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	129.1	168.1	176.8	0	0	0	0	110	Y26 T27 W59 G103 S104 C120	Y26-C43 CarbonylContact O-C 3.59Å; Y26-C43 WeakPolarHBondContact O-CA 3.45Å; T27-C43 HydrophobicContact CG2-CB 4.12Å; C43-W59 HydrophobicContact CB-CH2 4.08Å; C43-W59 HydrophobicContact CB-CZ2 3.37Å; C43-G103 PolarHBondContact O-N 2.81Å; C43-S104 PolarHBondContact N-OG 3.25Å; C43-C120 HydrophobicContact CB-CB 3.63Å; C43-C120 WeakPolarHBondContact CB-SG 3.37Å; C43-C120 WeakPolarHBondContact SG-CB 3.35Å; C43-C120 CovalentContact SG-SG 2.03Å; C43-C120 PolarHBondContact SG-SG 2.78Å
44	S	97.8	Very high	95	Very high	50 Å²	50	65.7 Å²	65.7	35%	0.35	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	167.3	172	64.4	0	0	0	0	111.1	V25 Y26 R101	V25-S44 CarbonylContact C-O 3.6Å; V25-S44 WeakPolarHBondContact CA-O 3.33Å; Y26-S44 PolarHBondContact N-O 3.33Å; Y26-S44 PolarHBondContact O-N 3.03Å; S44-R101 WeakPolarHBondContact CA-O 3.29Å; S44-R101 WeakPolarHBondContact CB-O 3.49Å
45	F	97.1	Very high	95.2	Very high	7 Å²	7	63.2 Å²	63.2	3%	0.031	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	155.1	174	73.8	-97	0	0	0	113	I23 T24 V51 V55 F57 R101 A122 N124	I23-F45 HydrophobicContact CD1-CB 3.85Å; I23-F45 HydrophobicContact CD1-CD1 4.35Å; I23-F45 HydrophobicContact CD1-CD2 3.42Å; I23-F45 VanDerWaalsContact CD1-CD2 3.42Å; I23-F45 HydrophobicContact CD1-CE2 3.94Å; I23-F45 HydrophobicContact CD1-CG 3.63Å; I23-F45 HydrophobicContact CG1-CB 3.92Å; I23-F45 HydrophobicContact CG1-CD2 3.7Å; I23-F45 HydrophobicContact CG1-CG 4.07Å; T24-F45 CarbonylContact O-C 3.53Å; T24-F45 WeakPolarHBondContact O-CA 3.33Å; T24-F45 WeakPolarHBondContact O-CB 3.47Å; F45-V51 HydrophobicContact CZ-CG2 4.2Å; F45-V55 HydrophobicContact CE1-CG2 3.71Å; F45-V55 HydrophobicContact CZ-CG2 3.94Å; F45-F57 AromaticContact CD1-CE1 3.74Å; F45-F57 HydrophobicContact CD1-CE1 3.74Å; F45-F57 AromaticContact CD1-CZ 3.49Å; F45-F57 HydrophobicContact CD1-CZ 3.49Å; F45-F57 VanDerWaalsContact CD1-CZ 3.49Å; F45-F57 HydrophobicContact CE1-CE1 4.22Å; F45-F57 HydrophobicContact CE1-CE2 4.2Å; F45-F57 AromaticContact CE1-CZ 3.52Å; F45-F57 HydrophobicContact CE1-CZ 3.52Å; F45-R101 HydrophobicContact CD1-CB 3.88Å; F45-R101 HydrophobicContact CD2-CB 4.42Å; F45-R101 HydrophobicContact CD2-CG 4.42Å; F45-R101 HydrophobicContact CE1-CB 3.74Å; F45-R101 HydrophobicContact CE1-CG 4.05Å; F45-R101 HydrophobicContact CE2-CB 4.33Å; F45-R101 HydrophobicContact CE2-CG 3.96Å; F45-R101 VanDerWaalsContact CE2-NH1 3.31Å; F45-R101 HydrophobicContact CG-CB 4.23Å; F45-R101 HydrophobicContact CZ-CB 3.99Å; F45-R101 HydrophobicContact CZ-CG 3.76Å; F45-R101 PolarHBondContact N-O 2.96Å; F45-R101 WeakPolarHBondContact O-CD 3.42Å; F45-A122 HydrophobicContact CB-CB 4.13Å; F45-A122 HydrophobicContact CD1-CB 4.05Å; F45-A122 HydrophobicContact CG-CB 4.38Å; F45-N124 HydrophobicContact CE2-CB 3.73Å; F45-N124 HydrophobicContact CZ-CB 3.81Å
46	F	94.8	Very high	95.3	Very high	80 Å²	80	61.7 Å²	61.7	35%	0.351	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	133.8	166.5	176.8	-94	0	0	0	110.3	I23 T24 Y26 W48	I23-F46 WeakPolarHBondContact CG1-O 3.31Å; T24-F46 PolarHBondContact N-O 3.02Å; T24-F46 PolarHBondContact O-N 3.48Å; Y26-F46 HydrophobicContact CE2-CB 3.66Å; F46-W48 AromaticContact CE1-CD2 3.91Å; F46-W48 HydrophobicContact CE1-CD2 3.91Å; F46-W48 AromaticContact CE1-CE2 3.53Å; F46-W48 HydrophobicContact CE1-CE3 4.45Å; F46-W48 HydrophobicContact CE1-CG 4.33Å; F46-W48 HydrophobicContact CE1-CH2 4.34Å; F46-W48 AromaticContact CE1-CZ2 3.77Å; F46-W48 HydrophobicContact CE1-CZ2 3.77Å; F46-W48 AromaticContact CE1-NE1 3.72Å; F46-W48 AromaticContact CZ-CD2 3.74Å; F46-W48 HydrophobicContact CZ-CD2 3.74Å; F46-W48 AromaticContact CZ-CE2 3.66Å; F46-W48 AromaticContact CZ-CE3 3.82Å; F46-W48 HydrophobicContact CZ-CE3 3.82Å; F46-W48 HydrophobicContact CZ-CG 4.47Å; F46-W48 AromaticContact CZ-CH2 3.78Å; F46-W48 HydrophobicContact CZ-CH2 3.78Å; F46-W48 AromaticContact CZ-CZ2 3.7Å; F46-W48 HydrophobicContact CZ-CZ2 3.7Å; F46-W48 AromaticContact CZ-CZ3 3.84Å; F46-W48 HydrophobicContact CZ-CZ3 3.84Å
47	S	93.2	Very high	95.5	Very high	3 Å²	3	59.7 Å²	59.7	2%	0.021	29%	0.29	C	S	.	.			trans	-150.8	144.2	170.6	151.2	0	0	0	0	107.9	R49 R101 N124 D127	S47-R49 PolarHBondContact O-N 2.88Å; S47-R49 WeakPolarHBondContact OG-CB 3.44Å; S47-R49 PolarHBondContact OG-N 3.42Å; S47-R101 PolarHBondContact O-NH1 3.04Å; S47-R101 VanDerWaalsContact O-NH1 3.15Å; S47-N124 PolarHBondContact OG-ND2 2.72Å; S47-D127 PolarHBondContact OG-OD2 3.21Å
48	W	89.8	Confident	95.6	Very high	192 Å²	192	58.6 Å²	58.6	73%	0.727	28%	0.281	S	S	*	.	S	Bend	trans	-70	-14.1	175.6	-60	105.3	0	0	0	112.8	F46	F46-W48 AromaticContact CE1-CD2 3.91Å; F46-W48 HydrophobicContact CE1-CD2 3.91Å; F46-W48 AromaticContact CE1-CE2 3.53Å; F46-W48 HydrophobicContact CE1-CE3 4.45Å; F46-W48 HydrophobicContact CE1-CG 4.33Å; F46-W48 HydrophobicContact CE1-CH2 4.34Å; F46-W48 AromaticContact CE1-CZ2 3.77Å; F46-W48 HydrophobicContact CE1-CZ2 3.77Å; F46-W48 AromaticContact CE1-NE1 3.72Å; F46-W48 AromaticContact CZ-CD2 3.74Å; F46-W48 HydrophobicContact CZ-CD2 3.74Å; F46-W48 AromaticContact CZ-CE2 3.66Å; F46-W48 AromaticContact CZ-CE3 3.82Å; F46-W48 HydrophobicContact CZ-CE3 3.82Å; F46-W48 HydrophobicContact CZ-CG 4.47Å; F46-W48 AromaticContact CZ-CH2 3.78Å; F46-W48 HydrophobicContact CZ-CH2 3.78Å; F46-W48 AromaticContact CZ-CZ2 3.7Å; F46-W48 HydrophobicContact CZ-CZ2 3.7Å; F46-W48 AromaticContact CZ-CZ3 3.84Å; F46-W48 HydrophobicContact CZ-CZ3 3.84Å
49	R	90.4	Very high	95.6	Very high	97 Å²	97	54.4 Å²	54.4	37%	0.366	26%	0.259	S	S	.	.	S	Bend	trans	-84.1	155.1	173.7	-57.9	-64	-178.6	-153.8	1.2	110.5	A19 S47 R101 D127	A19-R49 PolarHBondContact O-NH2 3.47Å; S47-R49 PolarHBondContact O-N 2.88Å; S47-R49 WeakPolarHBondContact OG-CB 3.44Å; S47-R49 PolarHBondContact OG-N 3.42Å; R49-R101 PolarHBondContact O-NH1 2.79Å; R49-R101 PolarHBondContact O-NH2 3.48Å; R49-D127 WeakPolarHBondContact CG-OD2 3.25Å
50	F	92.4	Very high	95.6	Very high	188 Å²	188	58.2 Å²	58.2	83%	0.825	27%	0.272	S	S	*	.	P	Polyproline II helix	trans	-61.4	158.3	165.1	-61.6	-75.1	0	0	0	110	S52 N124	F50-S52 PolarHBondContact O-N 3.46Å; F50-N124 PolarHBondContact O-ND2 3.07Å
51	V	94.6	Very high	95.5	Very high	39 Å²	39	54.1 Å²	54.1	24%	0.236	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-69.3	120	175.2	-177.3	0	0	0	0	107.9	F45 V55 P98 R101 N124	F45-V51 HydrophobicContact CZ-CG2 4.2Å; V51-V55 HydrophobicContact CG1-CB 3.91Å; V51-V55 HydrophobicContact CG1-CG1 3.84Å; V51-V55 HydrophobicContact CG1-CG2 4.16Å; V51-P98 WeakPolarHBondContact CG1-O 3.43Å; V51-R101 HydrophobicContact CG2-CG 3.48Å; V51-R101 VanDerWaalsContact CG2-CG 3.48Å; V51-N124 WeakPolarHBondContact CA-OD1 3.39Å
52	S	93.4	Very high	95.4	Very high	32 Å²	32	57.4 Å²	57.4	22%	0.224	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-73.5	154	174.5	-177.1	0	0	0	0	110.7	F50 D54 V55 N124 P125	F50-S52 PolarHBondContact O-N 3.46Å; S52-D54 PolarHBondContact O-N 3.36Å; S52-D54 PolarHBondContact OG-N 2.84Å; S52-V55 WeakPolarHBondContact O-CB 3.26Å; S52-V55 WeakPolarHBondContact O-CG1 3.45Å; S52-V55 PolarHBondContact O-N 3.23Å; S52-V55 VanDerWaalsContact O-N 3.16Å; S52-N124 PolarHBondContact N-OD1 2.89Å; S52-P125 WeakPolarHBondContact CB-O 3.43Å
53	E	93.4	Very high	95.3	Very high	149 Å²	149	57.5 Å²	57.5	70%	0.696	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-26.4	168.9	-64.4	-62.9	150.5	0	0	111.3	V55	E53-V55 PolarHBondContact O-N 3.47Å
54	D	94.3	Very high	95	Very high	112 Å²	112	60.7 Å²	60.7	60%	0.599	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	17.1	176	-58.3	-47.5	0	0	0	113.3	S52 S56 P125	S52-D54 PolarHBondContact O-N 3.36Å; S52-D54 PolarHBondContact OG-N 2.84Å; D54-S56 PolarHBondContact O-N 2.87Å; D54-P125 HydrophobicContact CB-CG 4.03Å; D54-P125 WeakPolarHBondContact O-CD 3.35Å
55	V	96.3	Very high	94.7	Very high	4 Å²	4	62.5 Å²	62.5	2%	0.024	31%	0.312	C	S	.	.			trans	-59.3	135.9	175	66.6	0	0	0	0	109.9	F45 V51 S52 E53 F57 Y75 P98 K123	F45-V55 HydrophobicContact CE1-CG2 3.71Å; F45-V55 HydrophobicContact CZ-CG2 3.94Å; V51-V55 HydrophobicContact CG1-CB 3.91Å; V51-V55 HydrophobicContact CG1-CG1 3.84Å; V51-V55 HydrophobicContact CG1-CG2 4.16Å; S52-V55 WeakPolarHBondContact O-CB 3.26Å; S52-V55 WeakPolarHBondContact O-CG1 3.45Å; S52-V55 PolarHBondContact O-N 3.23Å; S52-V55 VanDerWaalsContact O-N 3.16Å; E53-V55 PolarHBondContact O-N 3.47Å; V55-F57 HydrophobicContact CG2-CD2 4.46Å; V55-F57 HydrophobicContact CG2-CE2 3.84Å; V55-F57 HydrophobicContact CG2-CZ 4.42Å; V55-Y75 HydrophobicContact CG1-CE1 4.15Å; V55-P98 HydrophobicContact CG1-CB 3.85Å; V55-K123 WeakPolarHBondContact CA-O 3.36Å; V55-K123 WeakPolarHBondContact CG2-O 3.33Å
56	S	96.9	Very high	94.4	Very high	20 Å²	20	63.9 Å²	63.9	14%	0.14	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	148.5	179.1	74.6	0	0	0	0	112	D54 Y75 A122 K123	D54-S56 PolarHBondContact O-N 2.87Å; S56-Y75 CarbonylContact C-O 3.38Å; S56-Y75 WeakPolarHBondContact CA-O 3.3Å; S56-Y75 VanDerWaalsContact CB-O 3.28Å; S56-Y75 WeakPolarHBondContact CB-O 3.2Å; S56-A122 WeakPolarHBondContact O-CA 3.39Å; S56-K123 PolarHBondContact N-O 3.37Å; S56-K123 PolarHBondContact O-N 3.49Å; S56-K123 WeakPolarHBondContact OG-CB 3.27Å
57	F	97.9	Very high	94.3	Very high	0 Å²	0	71.2 Å²	71.2	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	135.8	173	-67.6	-90.3	0	0	0	109.1	F45 V55 H74 Y75 F94 P98 D121 A122	F45-F57 AromaticContact CD1-CE1 3.74Å; F45-F57 HydrophobicContact CD1-CE1 3.74Å; F45-F57 AromaticContact CD1-CZ 3.49Å; F45-F57 HydrophobicContact CD1-CZ 3.49Å; F45-F57 VanDerWaalsContact CD1-CZ 3.49Å; F45-F57 HydrophobicContact CE1-CE1 4.22Å; F45-F57 HydrophobicContact CE1-CE2 4.2Å; F45-F57 AromaticContact CE1-CZ 3.52Å; F45-F57 HydrophobicContact CE1-CZ 3.52Å; V55-F57 HydrophobicContact CG2-CD2 4.46Å; V55-F57 HydrophobicContact CG2-CE2 3.84Å; V55-F57 HydrophobicContact CG2-CZ 4.42Å; F57-H74 CarbonylContact O-C 3.49Å; F57-H74 WeakPolarHBondContact O-CA 3.48Å; F57-H74 PolarHBondContact O-ND1 3.27Å; F57-Y75 HydrophobicContact CD2-CD1 4.32Å; F57-Y75 PolarHBondContact N-O 3.36Å; F57-Y75 PolarHBondContact O-N 3.48Å; F57-F94 HydrophobicContact CB-CE2 4.24Å; F57-F94 HydrophobicContact CD2-CZ 4.45Å; F57-P98 HydrophobicContact CD2-CB 4.39Å; F57-P98 HydrophobicContact CD2-CG 4.31Å; F57-P98 HydrophobicContact CE2-CB 3.89Å; F57-P98 HydrophobicContact CE2-CG 4.16Å; F57-D121 CarbonylContact C-O 3.37Å; F57-D121 WeakPolarHBondContact CA-O 3.31Å; F57-A122 HydrophobicContact CD1-CB 3.65Å; F57-A122 HydrophobicContact CE1-CB 3.63Å; F57-A122 HydrophobicContact CZ-CB 4.5Å
58	T	97.6	Very high	94.3	Very high	16 Å²	16	77 Å²	77	10%	0.098	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	126.2	176.7	-54.1	0	0	0	0	109.6	R60 H74 C120 D121	T58-R60 HydrophobicContact CG2-CG 4.42Å; T58-H74 PolarHBondContact OG1-CE1 3.32Å; T58-H74 PolarHBondContact OG1-ND1 2.94Å; T58-C120 CarbonylContact O-C 3.03Å; T58-C120 WeakPolarHBondContact O-CA 3.28Å; T58-D121 PolarHBondContact N-O 2.94Å; T58-D121 PolarHBondContact O-N 3.42Å
59	W	97.9	Very high	94.5	Very high	1 Å²	1	71 Å²	71	0%	0.004	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	127.9	173	-79.8	95.3	0	0	0	110.7	T27 L41 C43 I72 A73 G103 I105 F118 T119 C120 V135	T27-W59 HydrophobicContact CG2-CH2 4.08Å; L41-W59 HydrophobicContact CB-CH2 3.78Å; L41-W59 HydrophobicContact CB-CZ2 4.15Å; L41-W59 HydrophobicContact CB-CZ3 4.37Å; L41-W59 HydrophobicContact CD1-CZ3 4.36Å; C43-W59 HydrophobicContact CB-CH2 4.08Å; C43-W59 HydrophobicContact CB-CZ2 3.37Å; W59-I72 HydrophobicContact CB-CD1 4.3Å; W59-I72 HydrophobicContact CB-CG1 3.83Å; W59-I72 PolarHBondContact O-N 3Å; W59-A73 HydrophobicContact CB-CB 4.24Å; W59-A73 PolarHBondContact N-O 3.47Å; W59-G103 PolarHBondContact NE1-O 3.42Å; W59-I105 HydrophobicContact CB-CD1 4.06Å; W59-I105 VanDerWaalsContact CD1-CG2 3.43Å; W59-I105 HydrophobicContact CD2-CD1 3.71Å; W59-I105 HydrophobicContact CD2-CG1 4.02Å; W59-I105 HydrophobicContact CE3-CD1 4.17Å; W59-I105 HydrophobicContact CG-CD1 3.68Å; W59-I105 HydrophobicContact CG-CG1 4.19Å; W59-I105 HydrophobicContact CG-CG2 4.14Å; W59-I105 HydrophobicContact CZ2-CG1 4.15Å; W59-F118 HydrophobicContact CE3-CB 3.87Å; W59-F118 HydrophobicContact CZ3-CB 3.63Å; W59-T119 WeakPolarHBondContact CA-O 3.32Å; W59-C120 HydrophobicContact CD2-CB 4Å; W59-C120 HydrophobicContact CE3-CB 4.04Å; W59-C120 HydrophobicContact CH2-CB 3.88Å; W59-C120 HydrophobicContact CZ2-CB 3.84Å; W59-C120 HydrophobicContact CZ3-CB 3.96Å; W59-V135 HydrophobicContact CH2-CG1 4.19Å; W59-V135 HydrophobicContact CZ3-CG1 4.04Å
60	R	97	Very high	94.6	Very high	90 Å²	90	70 Å²	70	34%	0.34	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	140.4	171.3	-60.4	-175.2	-175.6	89.7	0.6	110.3	T58 I70 F118 T119	T58-R60 HydrophobicContact CG2-CG 4.42Å; R60-I70 CarbonylContact C-O 3.56Å; R60-I70 WeakPolarHBondContact CA-O 3.04Å; R60-F118 CarbonylContact O-C 3.39Å; R60-F118 WeakPolarHBondContact O-CA 3.45Å; R60-T119 PolarHBondContact N-O 3.3Å; R60-T119 PolarHBondContact O-N 3.23Å
61	Y	96.4	Very high	94.7	Very high	12 Å²	12	63.8 Å²	63.8	5%	0.047	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	134.3	173.7	167	-106.2	0	0	0	110	P63 S69 I70 F88 S113 N115 F118	Y61-P63 HydrophobicContact CE1-CB 3.88Å; Y61-P63 HydrophobicContact CE1-CG 3.88Å; Y61-P63 WeakPolarHBondContact OH-CA 3.31Å; Y61-P63 WeakPolarHBondContact OH-CB 3.46Å; Y61-S69 CarbonylContact O-C 3.52Å; Y61-S69 VanDerWaalsContact O-CA 3.25Å; Y61-S69 WeakPolarHBondContact O-CA 3.31Å; Y61-I70 HydrophobicContact CD1-CD1 4.05Å; Y61-I70 HydrophobicContact CD1-CG1 3.98Å; Y61-I70 PolarHBondContact N-O 3.29Å; Y61-I70 PolarHBondContact O-N 2.95Å; Y61-F88 HydrophobicContact CD1-CD2 4.46Å; Y61-F88 AromaticContact CD1-CE2 3.47Å; Y61-F88 HydrophobicContact CD1-CE2 3.47Å; Y61-F88 VanDerWaalsContact CD1-CE2 3.47Å; Y61-F88 HydrophobicContact CD1-CZ 4.18Å; Y61-F88 HydrophobicContact CD2-CE2 4.02Å; Y61-F88 AromaticContact CD2-CZ 3.97Å; Y61-F88 HydrophobicContact CD2-CZ 3.97Å; Y61-F88 AromaticContact CE1-CE2 3.72Å; Y61-F88 HydrophobicContact CE1-CE2 3.72Å; Y61-F88 HydrophobicContact CE1-CZ 4.18Å; Y61-F88 HydrophobicContact CE2-CE2 4.24Å; Y61-F88 AromaticContact CE2-CZ 3.98Å; Y61-F88 HydrophobicContact CE2-CZ 3.98Å; Y61-F88 AromaticContact CG-CE2 3.6Å; Y61-F88 HydrophobicContact CG-CE2 3.6Å; Y61-F88 HydrophobicContact CG-CZ 4.04Å; Y61-S113 PolarHBondContact OH-O 2.98Å; Y61-N115 PolarHBondContact OH-O 3.42Å; Y61-F118 HydrophobicContact CD2-CD1 4.09Å; Y61-F118 HydrophobicContact CD2-CD2 4.17Å; Y61-F118 AromaticContact CD2-CE1 3.59Å; Y61-F118 HydrophobicContact CD2-CE1 3.59Å; Y61-F118 AromaticContact CD2-CE2 3.66Å; Y61-F118 HydrophobicContact CD2-CE2 3.66Å; Y61-F118 HydrophobicContact CD2-CG 4.36Å; Y61-F118 AromaticContact CD2-CZ 3.37Å; Y61-F118 HydrophobicContact CD2-CZ 3.37Å; Y61-F118 HydrophobicContact CE2-CE1 4.43Å; Y61-F118 AromaticContact CE2-CE2 3.91Å; Y61-F118 HydrophobicContact CE2-CE2 3.91Å; Y61-F118 AromaticContact CE2-CZ 3.78Å; Y61-F118 HydrophobicContact CE2-CZ 3.78Å; Y61-F118 HydrophobicContact CG-CE1 4.15Å; Y61-F118 HydrophobicContact CG-CZ 4.3Å
62	R	96.6	Very high	94.8	Very high	70 Å²	70	62 Å²	62	26%	0.264	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	114	172.3	-171.7	-164.9	62.1	64	12.8	108.6	D64 S66 D68 G116 T117	R62-D64 IonicContact NH2-OD1 3.94Å; R62-S66 WeakPolarHBondContact CD-O 3.24Å; R62-S66 WeakPolarHBondContact CG-O 3.15Å; R62-S66 PolarHBondContact NH1-O 3.47Å; R62-D68 WeakPolarHBondContact CG-O 3.35Å; R62-G116 WeakPolarHBondContact O-CA 3.27Å; R62-T117 PolarHBondContact N-O 3.49Å; R62-T117 PolarHBondContact NH2-OG1 3.47Å; R62-T117 PolarHBondContact O-N 2.88Å
63	P	94.9	Very high	94.9	Very high	44 Å²	44	60.6 Å²	60.6	29%	0.286	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	156.1	176.2	13.9	-15.1	0	0	0	111.7	Y61 S66	Y61-P63 HydrophobicContact CE1-CB 3.88Å; Y61-P63 HydrophobicContact CE1-CG 3.88Å; Y61-P63 WeakPolarHBondContact OH-CA 3.31Å; Y61-P63 WeakPolarHBondContact OH-CB 3.46Å; P63-S66 PolarHBondContact O-N 2.84Å
64	D	92.9	Very high	95.1	Very high	68 Å²	68	56.7 Å²	56.7	36%	0.364	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	138.2	173.9	-81.4	-6	0	0	0	111.8	R62 S66 R136	R62-D64 IonicContact NH2-OD1 3.94Å; D64-S66 PolarHBondContact O-N 3.03Å; D64-R136 IonicContact OD1-CZ 3.29Å; D64-R136 IonicContact OD1-NH1 2.98Å; D64-R136 PolarHBondContact OD1-NH1 2.88Å; D64-R136 IonicContact OD1-NH2 3.73Å; D64-R136 IonicContact OD2-CZ 2.96Å; D64-R136 VanDerWaalsContact OD2-CZ 3.29Å; D64-R136 IonicContact OD2-NH1 3.9Å; D64-R136 PolarHBondContact OD2-NH1 3.37Å; D64-R136 IonicContact OD2-NH2 2.69Å; D64-R136 PolarHBondContact OD2-NH2 3.1Å
65	G	90.1	Very high	95.3	Very high	88 Å²	88	52.7 Å²	52.7	91%	0.907	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	-15	-174.6	0	0	0	0	0	115.5
66	S	92.3	Very high	95.3	Very high	36 Å²	36	53.9 Å²	53.9	25%	0.252	29%	0.294	S	S	.	.			trans	-91.8	148.6	174.8	-173.6	0	0	0	0	112.5	R62 P63 D64 D68	R62-S66 WeakPolarHBondContact CD-O 3.24Å; R62-S66 WeakPolarHBondContact CG-O 3.15Å; R62-S66 PolarHBondContact NH1-O 3.47Å; P63-S66 PolarHBondContact O-N 2.84Å; D64-S66 PolarHBondContact O-N 3.03Å; S66-D68 PolarHBondContact OG-N 3.34Å
67	R	92.3	Very high	95.1	Very high	235 Å²	235	56.1 Å²	56.1	89%	0.887	32%	0.321	S	S	*	.			trans	-93.8	-16	168.1	-66	-178	-177.5	-91.4	-0.7	112.5
68	D	92.8	Very high	94.8	Very high	124 Å²	124	58.4 Å²	58.4	66%	0.663	34%	0.344	S	S	*	.			trans	-85.4	137.8	-174.9	-60.3	-30.6	0	0	0	110.6	R62 S66	R62-D68 WeakPolarHBondContact CG-O 3.35Å; S66-D68 PolarHBondContact OG-N 3.34Å
69	S	93.7	Very high	94.7	Very high	66 Å²	66	63.1 Å²	63.1	46%	0.462	37%	0.365	S	S	.	.			trans	-115.6	137	176.4	69.4	0	0	0	0	110.8	Y61	Y61-S69 CarbonylContact O-C 3.52Å; Y61-S69 VanDerWaalsContact O-CA 3.25Å; Y61-S69 WeakPolarHBondContact O-CA 3.31Å
70	I	93.1	Very high	94.6	Very high	77 Å²	77	65.5 Å²	65.5	40%	0.395	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	144.5	174.1	60	171.6	0	0	0	110.4	R60 Y61 I72	R60-I70 CarbonylContact C-O 3.56Å; R60-I70 WeakPolarHBondContact CA-O 3.04Å; Y61-I70 HydrophobicContact CD1-CD1 4.05Å; Y61-I70 HydrophobicContact CD1-CG1 3.98Å; Y61-I70 PolarHBondContact N-O 3.29Å; Y61-I70 PolarHBondContact O-N 2.95Å; I70-I72 HydrophobicContact CD1-CG2 4.25Å; I70-I72 HydrophobicContact CG1-CG2 4.11Å
71	S	94.5	Very high	94.5	Very high	56 Å²	56	66.9 Å²	66.9	39%	0.392	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	125.7	174.1	-173.1	0	0	0	0	109.4
72	I	96.1	Very high	94.3	Very high	3 Å²	3	68.5 Å²	68.5	2%	0.015	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-24.2	-175.7	61	168.9	0	0	0	113.1	W59 I70 D83 F88 V92 I105 F118	W59-I72 HydrophobicContact CB-CD1 4.3Å; W59-I72 HydrophobicContact CB-CG1 3.83Å; W59-I72 PolarHBondContact O-N 3Å; I70-I72 HydrophobicContact CD1-CG2 4.25Å; I70-I72 HydrophobicContact CG1-CG2 4.11Å; I72-D83 PolarHBondContact O-N 3.45Å; I72-F88 HydrophobicContact CG2-CD2 3.89Å; I72-F88 HydrophobicContact CG2-CE2 4.46Å; I72-V92 HydrophobicContact CB-CG2 4.38Å; I72-V92 HydrophobicContact CD1-CG2 4.46Å; I72-I105 HydrophobicContact CD1-CD1 3.83Å; I72-F118 HydrophobicContact CD1-CD1 3.61Å; I72-F118 HydrophobicContact CD1-CE1 3.61Å
73	A	96.8	Very high	93.8	Very high	2 Å²	2	68.1 Å²	68.1	2%	0.017	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	144.8	174.9	0	0	0	0	0	110.9	W59 Y81 T82 V92 I105	W59-A73 HydrophobicContact CB-CB 4.24Å; W59-A73 PolarHBondContact N-O 3.47Å; A73-Y81 CarbonylContact C-O 3.59Å; A73-Y81 WeakPolarHBondContact CA-O 3.36Å; A73-T82 HydrophobicContact CB-CG2 4.26Å; A73-V92 HydrophobicContact CB-CG1 4.03Å; A73-I105 HydrophobicContact CB-CG2 4.03Å
74	H	97.1	Very high	93.1	Very high	66 Å²	66	70.2 Å²	70.2	31%	0.306	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	132.9	176.9	-174.5	65.4	0	0	0	109.6	F57 T58 A76 Y81	F57-H74 CarbonylContact O-C 3.49Å; F57-H74 WeakPolarHBondContact O-CA 3.48Å; F57-H74 PolarHBondContact O-ND1 3.27Å; T58-H74 PolarHBondContact OG1-CE1 3.32Å; T58-H74 PolarHBondContact OG1-ND1 2.94Å; H74-A76 WeakPolarHBondContact NE2-CB 2.95Å; H74-Y81 PolarHBondContact N-O 2.95Å; H74-Y81 PolarHBondContact O-N 3.37Å
75	Y	97.8	Very high	92.6	Very high	29 Å²	29	74.8 Å²	74.8	11%	0.114	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	128.8	170.9	174.9	-83.3	0	0	0	108.4	V55 S56 F57 G78 E79 A80 F94 P98	V55-Y75 HydrophobicContact CG1-CE1 4.15Å; S56-Y75 CarbonylContact C-O 3.38Å; S56-Y75 WeakPolarHBondContact CA-O 3.3Å; S56-Y75 VanDerWaalsContact CB-O 3.28Å; S56-Y75 WeakPolarHBondContact CB-O 3.2Å; F57-Y75 HydrophobicContact CD2-CD1 4.32Å; F57-Y75 PolarHBondContact N-O 3.36Å; F57-Y75 PolarHBondContact O-N 3.48Å; Y75-G78 VanDerWaalsContact OH-CA 3.31Å; Y75-G78 WeakPolarHBondContact OH-CA 3.44Å; Y75-E79 WeakPolarHBondContact CA-O 3.47Å; Y75-E79 VanDerWaalsContact CD2-O 3.25Å; Y75-E79 WeakPolarHBondContact CD2-O 3.18Å; Y75-A80 HydrophobicContact CD2-CB 4.13Å; Y75-F94 HydrophobicContact CD2-CD1 4.35Å; Y75-F94 AromaticContact CD2-CE1 3.93Å; Y75-F94 HydrophobicContact CD2-CE1 3.93Å; Y75-F94 HydrophobicContact CD2-CZ 4.09Å; Y75-F94 HydrophobicContact CG-CE1 4.31Å; Y75-F94 HydrophobicContact CG-CE2 4.39Å; Y75-F94 AromaticContact CG-CZ 3.99Å; Y75-F94 HydrophobicContact CG-CZ 3.99Å; Y75-P98 HydrophobicContact CD1-CB 4.1Å; Y75-P98 HydrophobicContact CD1-CG 3.75Å; Y75-P98 HydrophobicContact CD2-CG 3.98Å; Y75-P98 HydrophobicContact CE1-CB 3.54Å; Y75-P98 HydrophobicContact CE1-CG 3.48Å; Y75-P98 VanDerWaalsContact CE1-CG 3.48Å; Y75-P98 HydrophobicContact CE2-CG 3.71Å; Y75-P98 HydrophobicContact CG-CG 3.99Å; Y75-P98 VanDerWaalsContact CZ-CG 3.44Å
76	A	96.3	Very high	92.4	Very high	28 Å²	28	73.6 Å²	73.6	23%	0.231	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	151.1	173.9	0	0	0	0	0	110.1	H74 G78 E79	H74-A76 WeakPolarHBondContact NE2-CB 2.95Å; A76-G78 PolarHBondContact O-N 3.41Å; A76-E79 PolarHBondContact N-O 2.92Å; A76-E79 PolarHBondContact O-N 3.27Å; A76-E79 VanDerWaalsContact O-N 3.16Å
77	G	92.6	Very high	92	Very high	67 Å²	67	74.7 Å²	74.7	69%	0.691	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	23.1	173.6	0	0	0	0	0	114.9
78	G	92.5	Very high	91.9	Very high	48 Å²	48	63.8 Å²	63.8	50%	0.495	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.5	-7.3	-178.6	0	0	0	0	0	115.1	Y75 A76	Y75-G78 VanDerWaalsContact OH-CA 3.31Å; Y75-G78 WeakPolarHBondContact OH-CA 3.44Å; A76-G78 PolarHBondContact O-N 3.41Å
79	E	95.2	Very high	91.8	Very high	116 Å²	116	63.5 Å²	63.5	54%	0.542	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	149.5	-174.6	-65.9	-168.4	153.6	0	0	112.2	Y75 A76 Y81	Y75-E79 WeakPolarHBondContact CA-O 3.47Å; Y75-E79 VanDerWaalsContact CD2-O 3.25Å; Y75-E79 WeakPolarHBondContact CD2-O 3.18Å; A76-E79 PolarHBondContact N-O 2.92Å; A76-E79 PolarHBondContact O-N 3.27Å; A76-E79 VanDerWaalsContact O-N 3.16Å; E79-Y81 HydrophobicContact CB-CE1 4.33Å; E79-Y81 HydrophobicContact CB-CE2 3.96Å; E79-Y81 WeakPolarHBondContact CB-OH 3.25Å; E79-Y81 PolarHBondContact OE2-OH 3.49Å
80	A	95.9	Very high	91.8	Very high	50 Å²	50	65.7 Å²	65.7	41%	0.413	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	132.6	173.9	0	0	0	0	0	110.2	Y75 F94	Y75-A80 HydrophobicContact CD2-CB 4.13Å; A80-F94 HydrophobicContact CB-CB 3.54Å; A80-F94 HydrophobicContact CB-CD1 4.08Å; A80-F94 HydrophobicContact CB-CG 3.81Å
81	Y	94.2	Very high	91.9	Very high	119 Å²	119	64 Å²	64	47%	0.467	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	118.7	177.1	-52.5	-77.9	0	0	0	108.6	A73 H74 E79	A73-Y81 CarbonylContact C-O 3.59Å; A73-Y81 WeakPolarHBondContact CA-O 3.36Å; H74-Y81 PolarHBondContact N-O 2.95Å; H74-Y81 PolarHBondContact O-N 3.37Å; E79-Y81 HydrophobicContact CB-CE1 4.33Å; E79-Y81 HydrophobicContact CB-CE2 3.96Å; E79-Y81 WeakPolarHBondContact CB-OH 3.25Å; E79-Y81 PolarHBondContact OE2-OH 3.49Å
82	T	93.4	Very high	92.1	Very high	47 Å²	47	61.9 Å²	61.9	29%	0.288	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	144.9	174.8	51.5	0	0	0	0	109.6	A73 N84 V92	A73-T82 HydrophobicContact CB-CG2 4.26Å; T82-N84 PolarHBondContact O-N 2.95Å; T82-N84 PolarHBondContact O-OD1 2.87Å; T82-N84 PolarHBondContact OG1-OD1 3.36Å; T82-V92 HydrophobicContact CG2-CB 4.3Å; T82-V92 HydrophobicContact CG2-CG1 4.2Å; T82-V92 WeakPolarHBondContact CG2-O 3.48Å
83	D	86.2	Confident	92.1	Very high	62 Å²	62	65.8 Å²	65.8	33%	0.332	38%	0.38	S	S	.	.			trans	-72.1	118.7	174	-169.1	3.3	0	0	0	109.4	I72 K85	I72-D83 PolarHBondContact O-N 3.45Å; D83-K85 VanDerWaalsContact C-N 3.25Å; D83-K85 PolarHBondContact O-N 3.34Å; D83-K85 WeakPolarHBondContact OD1-CB 3.43Å; D83-K85 PolarHBondContact OD1-N 3.06Å
84	N	80.5	Confident	92.1	Very high	88 Å²	88	67.2 Å²	67.2	47%	0.471	39%	0.386	S	S	.	.			trans	-93.7	20.5	177.5	-68.4	-7.1	0	0	0	111.8	T82 K89	T82-N84 PolarHBondContact O-N 2.95Å; T82-N84 PolarHBondContact O-OD1 2.87Å; T82-N84 PolarHBondContact OG1-OD1 3.36Å; N84-K89 WeakPolarHBondContact O-CD 3.35Å; N84-K89 VanDerWaalsContact O-CG 3.29Å; N84-K89 WeakPolarHBondContact O-CG 3.28Å
85	K	81.9	Confident	92.1	Very high	164 Å²	164	66 Å²	66	71%	0.713	38%	0.383	S	S	*	.	S	Bend	trans	-125.2	164	176.2	-59.3	179.8	-176.8	177.4	0	110.4	D83	D83-K85 VanDerWaalsContact C-N 3.25Å; D83-K85 PolarHBondContact O-N 3.34Å; D83-K85 WeakPolarHBondContact OD1-CB 3.43Å; D83-K85 PolarHBondContact OD1-N 3.06Å
86	G	85.1	Confident	92.1	Very high	63 Å²	63	65.4 Å²	65.4	65%	0.649	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	72.7	-154.9	176	0	0	0	0	0	114.4	F88 K89	G86-F88 VanDerWaalsContact C-N 3.31Å; G86-F88 PolarHBondContact O-N 3.5Å; G86-K89 PolarHBondContact O-N 3.39Å
87	A	84.3	Confident	92.1	Very high	59 Å²	59	67.3 Å²	67.3	49%	0.488	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-66.1	-28.2	-167.7	0	0	0	0	0	114.2	R91	A87-R91 PolarHBondContact O-NE 2.89Å; A87-R91 PolarHBondContact O-NH2 3.5Å
88	F	91.1	Very high	92.3	Very high	5 Å²	5	64.6 Å²	64.6	2%	0.022	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-107.2	16.6	-174.9	-62	-85.5	0	0	0	114.3	Y61 I72 G86 D90 R91 V92 I107 D114 F118	Y61-F88 HydrophobicContact CD1-CD2 4.46Å; Y61-F88 AromaticContact CD1-CE2 3.47Å; Y61-F88 HydrophobicContact CD1-CE2 3.47Å; Y61-F88 VanDerWaalsContact CD1-CE2 3.47Å; Y61-F88 HydrophobicContact CD1-CZ 4.18Å; Y61-F88 HydrophobicContact CD2-CE2 4.02Å; Y61-F88 AromaticContact CD2-CZ 3.97Å; Y61-F88 HydrophobicContact CD2-CZ 3.97Å; Y61-F88 AromaticContact CE1-CE2 3.72Å; Y61-F88 HydrophobicContact CE1-CE2 3.72Å; Y61-F88 HydrophobicContact CE1-CZ 4.18Å; Y61-F88 HydrophobicContact CE2-CE2 4.24Å; Y61-F88 AromaticContact CE2-CZ 3.98Å; Y61-F88 HydrophobicContact CE2-CZ 3.98Å; Y61-F88 AromaticContact CG-CE2 3.6Å; Y61-F88 HydrophobicContact CG-CE2 3.6Å; Y61-F88 HydrophobicContact CG-CZ 4.04Å; I72-F88 HydrophobicContact CG2-CD2 3.89Å; I72-F88 HydrophobicContact CG2-CE2 4.46Å; G86-F88 VanDerWaalsContact C-N 3.31Å; G86-F88 PolarHBondContact O-N 3.5Å; F88-D90 PolarHBondContact O-N 2.94Å; F88-R91 PolarHBondContact O-N 2.86Å; F88-V92 HydrophobicContact CB-CG2 3.49Å; F88-V92 VanDerWaalsContact CB-CG2 3.49Å; F88-V92 HydrophobicContact CD1-CG2 4.32Å; F88-V92 HydrophobicContact CG-CG2 4.12Å; F88-I107 HydrophobicContact CD1-CG2 3.88Å; F88-I107 HydrophobicContact CE1-CD1 4.34Å; F88-I107 HydrophobicContact CE1-CG2 3.97Å; F88-D114 HydrophobicContact CE1-CB 3.95Å; F88-D114 WeakPolarHBondContact CE1-OD1 3.45Å; F88-D114 HydrophobicContact CZ-CB 4.14Å; F88-F118 HydrophobicContact CE1-CE1 4.22Å; F88-F118 HydrophobicContact CE1-CZ 4Å; F88-F118 AromaticContact CZ-CE1 3.96Å; F88-F118 HydrophobicContact CZ-CE1 3.96Å; F88-F118 AromaticContact CZ-CZ 3.7Å; F88-F118 HydrophobicContact CZ-CZ 3.7Å
89	K	90.7	Very high	92.4	Very high	119 Å²	119	69.8 Å²	69.8	52%	0.517	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.3	127	177.9	173.4	176.5	-179	-163.3	0	111.1	N84 G86 R91	N84-K89 WeakPolarHBondContact O-CD 3.35Å; N84-K89 VanDerWaalsContact O-CG 3.29Å; N84-K89 WeakPolarHBondContact O-CG 3.28Å; G86-K89 PolarHBondContact O-N 3.39Å; K89-R91 WeakPolarHBondContact O-CG 3.48Å; K89-R91 PolarHBondContact O-N 3.41Å
90	D	92.7	Very high	92.5	Very high	111 Å²	111	74 Å²	74	59%	0.594	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	9	178.4	-50.7	-38.8	0	0	0	115.3	F88	F88-D90 PolarHBondContact O-N 2.94Å
91	R	96	Very high	92.5	Very high	41 Å²	41	74.8 Å²	74.8	16%	0.155	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-17.5	-177.8	-63.1	-171.2	-53.8	119.1	-6.5	113.9	A87 F88 K89 I107 K108 N109 D114	A87-R91 PolarHBondContact O-NE 2.89Å; A87-R91 PolarHBondContact O-NH2 3.5Å; F88-R91 PolarHBondContact O-N 2.86Å; K89-R91 WeakPolarHBondContact O-CG 3.48Å; K89-R91 PolarHBondContact O-N 3.41Å; R91-I107 CarbonylContact O-C 3.54Å; R91-I107 WeakPolarHBondContact O-CA 3.45Å; R91-K108 WeakPolarHBondContact CD-O 3.12Å; R91-K108 PolarHBondContact NH1-O 3.05Å; R91-K108 PolarHBondContact O-N 3.19Å; R91-N109 PolarHBondContact NH1-O 3.46Å; R91-D114 IonicContact CZ-OD1 3.71Å; R91-D114 IonicContact CZ-OD2 3.45Å; R91-D114 IonicContact NH1-OD1 3.73Å; R91-D114 IonicContact NH1-OD2 2.72Å; R91-D114 PolarHBondContact NH1-OD2 3.39Å; R91-D114 IonicContact NH2-OD1 2.78Å; R91-D114 PolarHBondContact NH2-OD1 2.91Å; R91-D114 IonicContact NH2-OD2 3.29Å; R91-D114 PolarHBondContact NH2-OD2 3.47Å
92	V	96.9	Very high	92.7	Very high	12 Å²	12	70.8 Å²	70.8	7%	0.073	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	133.8	175.3	-170.8	0	0	0	0	110.5	I72 A73 T82 F88 I105 L106	I72-V92 HydrophobicContact CB-CG2 4.38Å; I72-V92 HydrophobicContact CD1-CG2 4.46Å; A73-V92 HydrophobicContact CB-CG1 4.03Å; T82-V92 HydrophobicContact CG2-CB 4.3Å; T82-V92 HydrophobicContact CG2-CG1 4.2Å; T82-V92 WeakPolarHBondContact CG2-O 3.48Å; F88-V92 HydrophobicContact CB-CG2 3.49Å; F88-V92 VanDerWaalsContact CB-CG2 3.49Å; F88-V92 HydrophobicContact CD1-CG2 4.32Å; F88-V92 HydrophobicContact CG-CG2 4.12Å; V92-I105 HydrophobicContact CG1-CB 4.25Å; V92-I105 HydrophobicContact CG1-CD1 4.19Å; V92-I105 HydrophobicContact CG1-CG2 4.42Å; V92-L106 CarbonylContact C-O 3.59Å; V92-L106 WeakPolarHBondContact CA-O 3.3Å
93	E	96.8	Very high	92.9	Very high	85 Å²	85	68.6 Å²	68.6	40%	0.397	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	136	172.1	-174.2	178.4	162.9	0	0	110	V95 I105 L106 K108	E93-V95 HydrophobicContact CB-CG1 4.32Å; E93-V95 HydrophobicContact CG-CG1 3.96Å; E93-V95 PolarHBondContact O-N 3.39Å; E93-I105 CarbonylContact O-C 3.51Å; E93-I105 VanDerWaalsContact O-CA 3.28Å; E93-I105 WeakPolarHBondContact O-CA 3.49Å; E93-L106 HydrophobicContact CB-CB 4.38Å; E93-L106 PolarHBondContact N-O 3.09Å; E93-L106 PolarHBondContact O-N 3.44Å; E93-K108 WeakPolarHBondContact OE2-CE 3.32Å; E93-K108 IonicContact OE2-NZ 2.68Å; E93-K108 PolarHBondContact OE2-NZ 2.68Å
94	F	97.1	Very high	93.5	Very high	32 Å²	32	65.7 Å²	65.7	14%	0.14	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	115.6	172.4	-170.5	-87.1	0	0	0	109.8	F57 Y75 A80 G96 P98 I105	F57-F94 HydrophobicContact CB-CE2 4.24Å; F57-F94 HydrophobicContact CD2-CZ 4.45Å; Y75-F94 HydrophobicContact CD2-CD1 4.35Å; Y75-F94 AromaticContact CD2-CE1 3.93Å; Y75-F94 HydrophobicContact CD2-CE1 3.93Å; Y75-F94 HydrophobicContact CD2-CZ 4.09Å; Y75-F94 HydrophobicContact CG-CE1 4.31Å; Y75-F94 HydrophobicContact CG-CE2 4.39Å; Y75-F94 AromaticContact CG-CZ 3.99Å; Y75-F94 HydrophobicContact CG-CZ 3.99Å; A80-F94 HydrophobicContact CB-CB 3.54Å; A80-F94 HydrophobicContact CB-CD1 4.08Å; A80-F94 HydrophobicContact CB-CG 3.81Å; F94-G96 WeakPolarHBondContact CE1-O 3.49Å; F94-P98 HydrophobicContact CE1-CG 3.76Å; F94-P98 HydrophobicContact CZ-CG 3.74Å; F94-I105 HydrophobicContact CD2-CG2 4.04Å
95	V	97.7	Very high	94.4	Very high	41 Å²	41	61.5 Å²	61.5	25%	0.248	31%	0.31	C	S	.	.			trans	-120.6	5.6	-173.3	-61.3	0	0	0	0	113	R40 E93 S104 L106	R40-V95 HydrophobicContact CG-CG2 4.34Å; R40-V95 PolarHBondContact NH2-O 3.45Å; E93-V95 HydrophobicContact CB-CG1 4.32Å; E93-V95 HydrophobicContact CG-CG1 3.96Å; E93-V95 PolarHBondContact O-N 3.39Å; V95-S104 PolarHBondContact N-O 2.98Å; V95-L106 HydrophobicContact CG1-CB 3.72Å; V95-L106 HydrophobicContact CG1-CD2 4.46Å; V95-L106 HydrophobicContact CG2-CB 4.08Å
96	G	96.9	Very high	95.1	Very high	16 Å²	16	55.4 Å²	55.4	17%	0.165	28%	0.284	C	S	.	.			trans	-77.4	164.7	177	0	0	0	0	0	112.7	F94 D102 S104	F94-G96 WeakPolarHBondContact CE1-O 3.49Å; G96-D102 CarbonylContact C-O 3.56Å; G96-D102 VanDerWaalsContact C-O 3.31Å; G96-D102 WeakPolarHBondContact CA-O 3.45Å; G96-S104 PolarHBondContact N-O 3.07Å
97	N	96.9	Very high	95.7	Very high	69 Å²	69	52.4 Å²	52.4	37%	0.369	25%	0.254	S	S	.	.			trans	-115.9	98.8	168.7	-176.2	-22.6	0	0	0	110	K99 R100 R101 D102	N97-K99 VanDerWaalsContact C-N 3.27Å; N97-K99 PolarHBondContact O-N 3.41Å; N97-K99 WeakPolarHBondContact OD1-CB 3.33Å; N97-K99 PolarHBondContact OD1-N 3.11Å; N97-K99 VanDerWaalsContact OD1-N 3.15Å; N97-R100 HydrophobicContact CB-CB 4.18Å; N97-R100 HydrophobicContact CB-CG 4.45Å; N97-R100 CarbonylContact O-C 3.31Å; N97-R100 WeakPolarHBondContact O-CA 3.22Å; N97-R100 PolarHBondContact O-N 3.37Å; N97-R100 PolarHBondContact OD1-N 2.91Å; N97-R101 PolarHBondContact O-N 2.63Å; N97-D102 CarbonylContact C-O 3.53Å; N97-D102 PolarHBondContact N-O 3.37Å; N97-D102 PolarHBondContact O-N 3.07Å
98	P	96.8	Very high	96.3	Very high	10 Å²	10	53.2 Å²	53.2	7%	0.065	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-59.3	-34.5	-177.1	-34.2	43.8	0	0	0	113.6	V51 V55 F57 Y75 F94 R100 R101	V51-P98 WeakPolarHBondContact CG1-O 3.43Å; V55-P98 HydrophobicContact CG1-CB 3.85Å; F57-P98 HydrophobicContact CD2-CB 4.39Å; F57-P98 HydrophobicContact CD2-CG 4.31Å; F57-P98 HydrophobicContact CE2-CB 3.89Å; F57-P98 HydrophobicContact CE2-CG 4.16Å; Y75-P98 HydrophobicContact CD1-CB 4.1Å; Y75-P98 HydrophobicContact CD1-CG 3.75Å; Y75-P98 HydrophobicContact CD2-CG 3.98Å; Y75-P98 HydrophobicContact CE1-CB 3.54Å; Y75-P98 HydrophobicContact CE1-CG 3.48Å; Y75-P98 VanDerWaalsContact CE1-CG 3.48Å; Y75-P98 HydrophobicContact CE2-CG 3.71Å; Y75-P98 HydrophobicContact CG-CG 3.99Å; Y75-P98 VanDerWaalsContact CZ-CG 3.44Å; F94-P98 HydrophobicContact CE1-CG 3.76Å; F94-P98 HydrophobicContact CZ-CG 3.74Å; P98-R100 PolarHBondContact O-N 2.88Å; P98-R101 WeakPolarHBondContact O-CA 3.4Å; P98-R101 PolarHBondContact O-N 3.47Å
99	K	94.8	Very high	96.6	Very high	156 Å²	156	57.9 Å²	57.9	68%	0.678	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-62.3	-23.6	174.2	-61.5	-172.2	175.4	-172.6	0	112.7	N97	N97-K99 VanDerWaalsContact C-N 3.27Å; N97-K99 PolarHBondContact O-N 3.41Å; N97-K99 WeakPolarHBondContact OD1-CB 3.33Å; N97-K99 PolarHBondContact OD1-N 3.11Å; N97-K99 VanDerWaalsContact OD1-N 3.15Å
100	R	96.4	Very high	96.8	Very high	206 Å²	206	52.3 Å²	52.3	78%	0.777	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-101.8	19	173.3	-64.3	-171.4	171.5	-156	-1.5	113	N97 P98 D102	N97-R100 HydrophobicContact CB-CB 4.18Å; N97-R100 HydrophobicContact CB-CG 4.45Å; N97-R100 CarbonylContact O-C 3.31Å; N97-R100 WeakPolarHBondContact O-CA 3.22Å; N97-R100 PolarHBondContact O-N 3.37Å; N97-R100 PolarHBondContact OD1-N 2.91Å; P98-R100 PolarHBondContact O-N 2.88Å; R100-D102 PolarHBondContact O-N 2.9Å
101	R	97	Very high	96.9	Very high	65 Å²	65	50.8 Å²	50.8	25%	0.245	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	24.5	-179.4	-48.9	172.8	-174.5	-97	3.4	113.3	S44 F45 S47 R49 V51 N97 P98	S44-R101 WeakPolarHBondContact CA-O 3.29Å; S44-R101 WeakPolarHBondContact CB-O 3.49Å; F45-R101 HydrophobicContact CD1-CB 3.88Å; F45-R101 HydrophobicContact CD2-CB 4.42Å; F45-R101 HydrophobicContact CD2-CG 4.42Å; F45-R101 HydrophobicContact CE1-CB 3.74Å; F45-R101 HydrophobicContact CE1-CG 4.05Å; F45-R101 HydrophobicContact CE2-CB 4.33Å; F45-R101 HydrophobicContact CE2-CG 3.96Å; F45-R101 VanDerWaalsContact CE2-NH1 3.31Å; F45-R101 HydrophobicContact CG-CB 4.23Å; F45-R101 HydrophobicContact CZ-CB 3.99Å; F45-R101 HydrophobicContact CZ-CG 3.76Å; F45-R101 PolarHBondContact N-O 2.96Å; F45-R101 WeakPolarHBondContact O-CD 3.42Å; S47-R101 PolarHBondContact O-NH1 3.04Å; S47-R101 VanDerWaalsContact O-NH1 3.15Å; R49-R101 PolarHBondContact O-NH1 2.79Å; R49-R101 PolarHBondContact O-NH2 3.48Å; V51-R101 HydrophobicContact CG2-CG 3.48Å; V51-R101 VanDerWaalsContact CG2-CG 3.48Å; N97-R101 PolarHBondContact O-N 2.63Å; P98-R101 WeakPolarHBondContact O-CA 3.4Å; P98-R101 PolarHBondContact O-N 3.47Å
102	D	98.1	Very high	96.7	Very high	36 Å²	36	52.8 Å²	52.8	19%	0.193	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-109.4	116.3	-179	179.4	6.5	0	0	0	110	R40 G96 N97 R100 S104	R40-D102 IonicContact NH2-OD2 2.76Å; R40-D102 PolarHBondContact NH2-OD2 3.05Å; G96-D102 CarbonylContact C-O 3.56Å; G96-D102 VanDerWaalsContact C-O 3.31Å; G96-D102 WeakPolarHBondContact CA-O 3.45Å; N97-D102 CarbonylContact C-O 3.53Å; N97-D102 PolarHBondContact N-O 3.37Å; N97-D102 PolarHBondContact O-N 3.07Å; R100-D102 PolarHBondContact O-N 2.9Å; D102-S104 WeakPolarHBondContact OD1-CB 3.27Å; D102-S104 PolarHBondContact OD1-N 2.61Å; D102-S104 PolarHBondContact OD1-OG 3.24Å
103	G	97.9	Very high	96.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.27	C	S	.	.			trans	-111.6	29.6	176.7	0	0	0	0	0	113.3	C43 W59	C43-G103 PolarHBondContact O-N 2.81Å; W59-G103 PolarHBondContact NE1-O 3.42Å
104	S	98.5	Very high	96.4	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.014	25%	0.251	C	S	.	.			trans	-62.5	147.1	-177.7	-60.3	0	0	0	0	113.4	R40 L41 S42 C43 V95 G96 D102	R40-S104 PolarHBondContact NH2-OG 3Å; L41-S104 VanDerWaalsContact O-CA 3.31Å; L41-S104 WeakPolarHBondContact O-CA 3.41Å; L41-S104 WeakPolarHBondContact O-CB 3.34Å; S42-S104 WeakPolarHBondContact CA-OG 3.34Å; C43-S104 PolarHBondContact N-OG 3.25Å; V95-S104 PolarHBondContact N-O 2.98Å; G96-S104 PolarHBondContact N-O 3.07Å; D102-S104 WeakPolarHBondContact OD1-CB 3.27Å; D102-S104 PolarHBondContact OD1-N 2.61Å; D102-S104 PolarHBondContact OD1-OG 3.24Å
105	I	98.3	Very high	96.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	156.4	171.3	59.5	169.9	0	0	0	111	R40 L41 W59 I72 A73 V92 E93 F94 I107	R40-I105 WeakPolarHBondContact CA-O 3.41Å; L41-I105 HydrophobicContact CB-CG1 4.07Å; L41-I105 HydrophobicContact CD1-CD1 4.38Å; L41-I105 PolarHBondContact N-O 3.36Å; L41-I105 PolarHBondContact O-N 3.33Å; L41-I105 VanDerWaalsContact O-N 3.14Å; W59-I105 HydrophobicContact CB-CD1 4.06Å; W59-I105 VanDerWaalsContact CD1-CG2 3.43Å; W59-I105 HydrophobicContact CD2-CD1 3.71Å; W59-I105 HydrophobicContact CD2-CG1 4.02Å; W59-I105 HydrophobicContact CE3-CD1 4.17Å; W59-I105 HydrophobicContact CG-CD1 3.68Å; W59-I105 HydrophobicContact CG-CG1 4.19Å; W59-I105 HydrophobicContact CG-CG2 4.14Å; W59-I105 HydrophobicContact CZ2-CG1 4.15Å; I72-I105 HydrophobicContact CD1-CD1 3.83Å; A73-I105 HydrophobicContact CB-CG2 4.03Å; V92-I105 HydrophobicContact CG1-CB 4.25Å; V92-I105 HydrophobicContact CG1-CD1 4.19Å; V92-I105 HydrophobicContact CG1-CG2 4.42Å; E93-I105 CarbonylContact O-C 3.51Å; E93-I105 VanDerWaalsContact O-CA 3.28Å; E93-I105 WeakPolarHBondContact O-CA 3.49Å; F94-I105 HydrophobicContact CD2-CG2 4.04Å; I105-I107 HydrophobicContact CD1-CG1 4.43Å
106	L	97.9	Very high	96.3	Very high	35 Å²	35	50.2 Å²	50.2	18%	0.183	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	130.8	170.5	-176.3	72.7	0	0	0	108	D38 V39 R40 V92 E93 V95 K108	D38-L106 HydrophobicContact CB-CD1 4.12Å; V39-L106 WeakPolarHBondContact O-CA 3.44Å; R40-L106 HydrophobicContact CB-CD1 4.32Å; V92-L106 CarbonylContact C-O 3.59Å; V92-L106 WeakPolarHBondContact CA-O 3.3Å; E93-L106 HydrophobicContact CB-CB 4.38Å; E93-L106 PolarHBondContact N-O 3.09Å; E93-L106 PolarHBondContact O-N 3.44Å; V95-L106 HydrophobicContact CG1-CB 3.72Å; V95-L106 HydrophobicContact CG1-CD2 4.46Å; V95-L106 HydrophobicContact CG2-CB 4.08Å; L106-K108 HydrophobicContact CD2-CG 4.24Å; L106-K108 HydrophobicContact CG-CG 4.42Å
107	I	97.6	Very high	96.3	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	121.4	171.4	-55.3	172.5	0	0	0	107	D38 V39 L41 F88 R91 I105 L110 F118	D38-I107 CarbonylContact C-O 3.58Å; D38-I107 VanDerWaalsContact CA-O 3.32Å; D38-I107 WeakPolarHBondContact CA-O 3.28Å; V39-I107 HydrophobicContact CG1-CB 4.06Å; V39-I107 PolarHBondContact N-O 2.87Å; V39-I107 PolarHBondContact O-N 2.95Å; L41-I107 HydrophobicContact CD1-CD1 3.71Å; L41-I107 HydrophobicContact CG-CD1 4.37Å; F88-I107 HydrophobicContact CD1-CG2 3.88Å; F88-I107 HydrophobicContact CE1-CD1 4.34Å; F88-I107 HydrophobicContact CE1-CG2 3.97Å; R91-I107 CarbonylContact O-C 3.54Å; R91-I107 WeakPolarHBondContact O-CA 3.45Å; I105-I107 HydrophobicContact CD1-CG1 4.43Å; I107-L110 HydrophobicContact CB-CD2 4.22Å; I107-L110 HydrophobicContact CG2-CD2 3.7Å; I107-F118 HydrophobicContact CD1-CD1 3.97Å; I107-F118 HydrophobicContact CD1-CE1 3.27Å; I107-F118 HydrophobicContact CD1-CE2 4.36Å; I107-F118 HydrophobicContact CD1-CZ 3.5Å
108	K	97.2	Very high	96.4	Very high	76 Å²	76	47.3 Å²	47.3	33%	0.33	23%	0.225	S	C	.	.			trans	-92.9	151.3	-176.6	-62.2	179.3	-177.3	169.7	0	111.9	D38 R91 E93 L106 L110	D38-K108 WeakPolarHBondContact OD1-CA 3.23Å; R91-K108 WeakPolarHBondContact CD-O 3.12Å; R91-K108 PolarHBondContact NH1-O 3.05Å; R91-K108 PolarHBondContact O-N 3.19Å; E93-K108 WeakPolarHBondContact OE2-CE 3.32Å; E93-K108 IonicContact OE2-NZ 2.68Å; E93-K108 PolarHBondContact OE2-NZ 2.68Å; L106-K108 HydrophobicContact CD2-CG 4.24Å; L106-K108 HydrophobicContact CG-CG 4.42Å; K108-L110 PolarHBondContact O-N 2.87Å
109	N	95.6	Very high	96.4	Very high	104 Å²	104	48.4 Å²	48.4	56%	0.556	23%	0.231	S	C	*	.	S	Bend	trans	46.1	67.4	171.6	-172.8	39.1	0	0	0	112	G36 S37 D38 R91	G36-N109 WeakPolarHBondContact CA-OD1 3.45Å; S37-N109 PolarHBondContact O-N 3.21Å; D38-N109 PolarHBondContact OD1-N 3.32Å; R91-N109 PolarHBondContact NH1-O 3.46Å
110	L	95.8	Very high	96.6	Very high	2 Å²	2	41 Å²	41	1%	0.01	20%	0.199	C	C	.	.			trans	-63.1	144.3	-175.3	-73.8	172.6	0	0	0	113.2	A33 G36 S37 V39 I107 K108 D114 L137 V139	A33-L110 HydrophobicContact CB-CD1 3.27Å; G36-L110 PolarHBondContact N-O 2.89Å; S37-L110 WeakPolarHBondContact O-CB 3.32Å; S37-L110 VanDerWaalsContact O-CG 3.3Å; S37-L110 WeakPolarHBondContact O-CG 3.43Å; S37-L110 PolarHBondContact O-N 3.18Å; V39-L110 HydrophobicContact CB-CD1 3.88Å; V39-L110 HydrophobicContact CG1-CD1 3.69Å; V39-L110 HydrophobicContact CG1-CD2 3.92Å; V39-L110 HydrophobicContact CG1-CG 4.17Å; I107-L110 HydrophobicContact CB-CD2 4.22Å; I107-L110 HydrophobicContact CG2-CD2 3.7Å; K108-L110 PolarHBondContact O-N 2.87Å; L110-D114 WeakPolarHBondContact CA-OD2 3.43Å; L110-D114 HydrophobicContact CD2-CB 4.11Å; L110-L137 HydrophobicContact CD2-CD2 3.84Å; L110-V139 HydrophobicContact CB-CG1 4.21Å; L110-V139 HydrophobicContact CB-CG2 4.43Å; L110-V139 HydrophobicContact CD1-CG2 4.3Å; L110-V139 HydrophobicContact CD2-CG2 4.49Å
111	D	94.4	Very high	96.7	Very high	78 Å²	78	32.1 Å²	32.1	42%	0.417	17%	0.167	S	C	.	.			trans	-119	160.7	169.5	-169.8	17	0	0	0	110.9	S113 D114	D111-S113 PolarHBondContact O-N 2.81Å; D111-S113 PolarHBondContact OD2-OG 2.93Å; D111-D114 PolarHBondContact N-OD2 3.22Å; D111-D114 VanDerWaalsContact O-CB 3.27Å; D111-D114 WeakPolarHBondContact O-CB 3.46Å; D111-D114 PolarHBondContact O-N 2.9Å
112	F	93.1	Very high	96.7	Very high	84 Å²	84	29 Å²	29	37%	0.368	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-59.1	-29	175.9	-66.7	-68.3	0	0	0	112.7	V35 D114 N115 E141	V35-F112 HydrophobicContact CG2-CD1 3.69Å; V35-F112 HydrophobicContact CG2-CD2 3.89Å; V35-F112 HydrophobicContact CG2-CE1 3.41Å; V35-F112 VanDerWaalsContact CG2-CE1 3.41Å; V35-F112 HydrophobicContact CG2-CE2 3.63Å; V35-F112 HydrophobicContact CG2-CG 3.94Å; V35-F112 HydrophobicContact CG2-CZ 3.4Å; V35-F112 VanDerWaalsContact CG2-CZ 3.4Å; F112-D114 PolarHBondContact O-N 2.91Å; F112-N115 WeakPolarHBondContact O-CB 3.31Å; F112-N115 VanDerWaalsContact O-CG 3.28Å; F112-N115 PolarHBondContact O-N 3.48Å; F112-N115 PolarHBondContact O-ND2 3.49Å; F112-E141 HydrophobicContact CE1-CB 4.44Å; F112-E141 HydrophobicContact CZ-CB 3.97Å; F112-E141 HydrophobicContact CZ-CG 4.24Å
113	S	92.6	Very high	96.6	Very high	72 Å²	72	29.8 Å²	29.8	50%	0.503	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-66.5	-18.7	175	63.4	0	0	0	0	113.3	Y61 D111 N115	Y61-S113 PolarHBondContact OH-O 2.98Å; D111-S113 PolarHBondContact O-N 2.81Å; D111-S113 PolarHBondContact OD2-OG 2.93Å; S113-N115 PolarHBondContact O-N 2.92Å
114	D	94.9	Very high	96.4	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-76.1	-5.2	179.2	-60.4	-28.7	0	0	0	112.5	F88 R91 L110 D111 F112 G116	F88-D114 HydrophobicContact CE1-CB 3.95Å; F88-D114 WeakPolarHBondContact CE1-OD1 3.45Å; F88-D114 HydrophobicContact CZ-CB 4.14Å; R91-D114 IonicContact CZ-OD1 3.71Å; R91-D114 IonicContact CZ-OD2 3.45Å; R91-D114 IonicContact NH1-OD1 3.73Å; R91-D114 IonicContact NH1-OD2 2.72Å; R91-D114 PolarHBondContact NH1-OD2 3.39Å; R91-D114 IonicContact NH2-OD1 2.78Å; R91-D114 PolarHBondContact NH2-OD1 2.91Å; R91-D114 IonicContact NH2-OD2 3.29Å; R91-D114 PolarHBondContact NH2-OD2 3.47Å; L110-D114 WeakPolarHBondContact CA-OD2 3.43Å; L110-D114 HydrophobicContact CD2-CB 4.11Å; D111-D114 PolarHBondContact N-OD2 3.22Å; D111-D114 VanDerWaalsContact O-CB 3.27Å; D111-D114 WeakPolarHBondContact O-CB 3.46Å; D111-D114 PolarHBondContact O-N 2.9Å; F112-D114 PolarHBondContact O-N 2.91Å; D114-G116 PolarHBondContact O-N 2.91Å
115	N	95.4	Very high	96.1	Very high	43 Å²	43	31.7 Å²	31.7	23%	0.23	17%	0.17	C	C	.	.			trans	-53.6	130	170.6	-79.3	-21.7	0	0	0	110.9	Y61 F112 S113 L138 V139	Y61-N115 PolarHBondContact OH-O 3.42Å; F112-N115 WeakPolarHBondContact O-CB 3.31Å; F112-N115 VanDerWaalsContact O-CG 3.28Å; F112-N115 PolarHBondContact O-N 3.48Å; F112-N115 PolarHBondContact O-ND2 3.49Å; S113-N115 PolarHBondContact O-N 2.92Å; N115-L138 WeakPolarHBondContact OD1-CA 3.13Å; N115-V139 WeakPolarHBondContact OD1-CB 3.43Å; N115-V139 WeakPolarHBondContact OD1-CG2 3.16Å; N115-V139 PolarHBondContact OD1-N 3.38Å
116	G	96.1	Very high	95.6	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.7	-165.1	-179.3	0	0	0	0	0	113.8	R62 D114 L137	R62-G116 WeakPolarHBondContact O-CA 3.27Å; D114-G116 PolarHBondContact O-N 2.91Å; G116-L137 PolarHBondContact N-O 3.01Å; G116-L137 PolarHBondContact O-N 3.14Å
117	T	97.8	Very high	95.1	Very high	24 Å²	24	32.3 Å²	32.3	15%	0.147	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	126.3	178.4	-55.7	0	0	0	0	109.9	R62	R62-T117 PolarHBondContact N-O 3.49Å; R62-T117 PolarHBondContact NH2-OG1 3.47Å; R62-T117 PolarHBondContact O-N 2.88Å
118	F	97.9	Very high	94.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	124.6	174.2	-66	-100	0	0	0	108.6	L41 W59 R60 Y61 I72 F88 I107 S134 V135 L137	L41-F118 HydrophobicContact CD1-CB 3.67Å; L41-F118 HydrophobicContact CD1-CD1 3.64Å; L41-F118 HydrophobicContact CD1-CD2 3.83Å; L41-F118 HydrophobicContact CD1-CE1 4.21Å; L41-F118 HydrophobicContact CD1-CE2 4.39Å; L41-F118 HydrophobicContact CD1-CG 3.42Å; L41-F118 VanDerWaalsContact CD1-CG 3.42Å; W59-F118 HydrophobicContact CE3-CB 3.87Å; W59-F118 HydrophobicContact CZ3-CB 3.63Å; R60-F118 CarbonylContact O-C 3.39Å; R60-F118 WeakPolarHBondContact O-CA 3.45Å; Y61-F118 HydrophobicContact CD2-CD1 4.09Å; Y61-F118 HydrophobicContact CD2-CD2 4.17Å; Y61-F118 AromaticContact CD2-CE1 3.59Å; Y61-F118 HydrophobicContact CD2-CE1 3.59Å; Y61-F118 AromaticContact CD2-CE2 3.66Å; Y61-F118 HydrophobicContact CD2-CE2 3.66Å; Y61-F118 HydrophobicContact CD2-CG 4.36Å; Y61-F118 AromaticContact CD2-CZ 3.37Å; Y61-F118 HydrophobicContact CD2-CZ 3.37Å; Y61-F118 HydrophobicContact CE2-CE1 4.43Å; Y61-F118 AromaticContact CE2-CE2 3.91Å; Y61-F118 HydrophobicContact CE2-CE2 3.91Å; Y61-F118 AromaticContact CE2-CZ 3.78Å; Y61-F118 HydrophobicContact CE2-CZ 3.78Å; Y61-F118 HydrophobicContact CG-CE1 4.15Å; Y61-F118 HydrophobicContact CG-CZ 4.3Å; I72-F118 HydrophobicContact CD1-CD1 3.61Å; I72-F118 HydrophobicContact CD1-CE1 3.61Å; F88-F118 HydrophobicContact CE1-CE1 4.22Å; F88-F118 HydrophobicContact CE1-CZ 4Å; F88-F118 AromaticContact CZ-CE1 3.96Å; F88-F118 HydrophobicContact CZ-CE1 3.96Å; F88-F118 AromaticContact CZ-CZ 3.7Å; F88-F118 HydrophobicContact CZ-CZ 3.7Å; I107-F118 HydrophobicContact CD1-CD1 3.97Å; I107-F118 HydrophobicContact CD1-CE1 3.27Å; I107-F118 HydrophobicContact CD1-CE2 4.36Å; I107-F118 HydrophobicContact CD1-CZ 3.5Å; F118-S134 CarbonylContact O-C 3.53Å; F118-S134 VanDerWaalsContact O-CA 3.28Å; F118-S134 WeakPolarHBondContact O-CA 3.33Å; F118-V135 HydrophobicContact CB-CG1 3.88Å; F118-V135 PolarHBondContact N-O 3.04Å; F118-V135 PolarHBondContact O-N 2.99Å; F118-L137 HydrophobicContact CD2-CB 3.91Å; F118-L137 HydrophobicContact CE2-CB 3.66Å; F118-L137 HydrophobicContact CE2-CD2 3.68Å; F118-L137 HydrophobicContact CE2-CG 4.33Å; F118-L137 HydrophobicContact CZ-CD2 4.1Å
119	T	98.3	Very high	93.9	Very high	32 Å²	32	37.1 Å²	37.1	20%	0.196	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	122.7	-176.9	-58.2	0	0	0	0	109.6	W59 R60 P132 S133 S134	W59-T119 WeakPolarHBondContact CA-O 3.32Å; R60-T119 PolarHBondContact N-O 3.3Å; R60-T119 PolarHBondContact O-N 3.23Å; T119-P132 HydrophobicContact CG2-CB 3.46Å; T119-P132 VanDerWaalsContact CG2-CB 3.46Å; T119-S133 CarbonylContact C-O 3.46Å; T119-S133 WeakPolarHBondContact CA-O 3.29Å; T119-S134 WeakPolarHBondContact CG2-OG 3.18Å; T119-S134 PolarHBondContact OG1-OG 2.76Å
120	C	98.3	Very high	93.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	125.8	173.3	-174.3	0	0	0	0	110	V25 T27 C43 T58 W59 P132 S133	V25-C120 HydrophobicContact CG1-CB 4.46Å; T27-C120 HydrophobicContact CG2-CB 3.87Å; C43-C120 HydrophobicContact CB-CB 3.63Å; C43-C120 WeakPolarHBondContact CB-SG 3.37Å; C43-C120 WeakPolarHBondContact SG-CB 3.35Å; C43-C120 CovalentContact SG-SG 2.03Å; C43-C120 PolarHBondContact SG-SG 2.78Å; T58-C120 CarbonylContact O-C 3.03Å; T58-C120 WeakPolarHBondContact O-CA 3.28Å; W59-C120 HydrophobicContact CD2-CB 4Å; W59-C120 HydrophobicContact CE3-CB 4.04Å; W59-C120 HydrophobicContact CH2-CB 3.88Å; W59-C120 HydrophobicContact CZ2-CB 3.84Å; W59-C120 HydrophobicContact CZ3-CB 3.96Å; C120-P132 CarbonylContact O-C 3.6Å; C120-P132 VanDerWaalsContact O-CA 3.29Å; C120-P132 WeakPolarHBondContact O-CA 3.44Å; C120-P132 WeakPolarHBondContact O-CB 3.2Å; C120-S133 PolarHBondContact N-O 2.79Å; C120-S133 PolarHBondContact O-N 3.29Å
121	D	97.4	Very high	93.4	Very high	21 Å²	21	43.6 Å²	43.6	11%	0.112	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	127.4	167.2	-169.9	-0.2	0	0	0	108.7	F57 T58 K123 P132	F57-D121 CarbonylContact C-O 3.37Å; F57-D121 WeakPolarHBondContact CA-O 3.31Å; T58-D121 PolarHBondContact N-O 2.94Å; T58-D121 PolarHBondContact O-N 3.42Å; D121-K123 VanDerWaalsContact OD1-CE 3.23Å; D121-K123 WeakPolarHBondContact OD1-CE 3.41Å; D121-K123 IonicContact OD1-NZ 2.76Å; D121-K123 PolarHBondContact OD1-NZ 3.47Å; D121-K123 WeakPolarHBondContact OD2-CE 3.38Å; D121-K123 IonicContact OD2-NZ 3.27Å; D121-K123 PolarHBondContact OD2-NZ 3.31Å; D121-P132 HydrophobicContact CB-CB 4.13Å; D121-P132 HydrophobicContact CB-CG 4.02Å
122	A	97.3	Very high	93.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	137.3	177.7	0	0	0	0	0	109.6	I23 V25 F45 S56 F57	I23-A122 HydrophobicContact CD1-CB 4.36Å; V25-A122 HydrophobicContact CG1-CB 4.34Å; V25-A122 HydrophobicContact CG2-CB 3.9Å; F45-A122 HydrophobicContact CB-CB 4.13Å; F45-A122 HydrophobicContact CD1-CB 4.05Å; F45-A122 HydrophobicContact CG-CB 4.38Å; S56-A122 WeakPolarHBondContact O-CA 3.39Å; F57-A122 HydrophobicContact CD1-CB 3.65Å; F57-A122 HydrophobicContact CE1-CB 3.63Å; F57-A122 HydrophobicContact CZ-CB 4.5Å
123	K	95.4	Very high	93.7	Very high	51 Å²	51	40.2 Å²	40.2	22%	0.222	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	136.6	175.5	-52.4	-64.5	-178.4	-147.4	0	109.2	V55 S56 D121 I128	V55-K123 WeakPolarHBondContact CA-O 3.36Å; V55-K123 WeakPolarHBondContact CG2-O 3.33Å; S56-K123 PolarHBondContact N-O 3.37Å; S56-K123 PolarHBondContact O-N 3.49Å; S56-K123 WeakPolarHBondContact OG-CB 3.27Å; D121-K123 VanDerWaalsContact OD1-CE 3.23Å; D121-K123 WeakPolarHBondContact OD1-CE 3.41Å; D121-K123 IonicContact OD1-NZ 2.76Å; D121-K123 PolarHBondContact OD1-NZ 3.47Å; D121-K123 WeakPolarHBondContact OD2-CE 3.38Å; D121-K123 IonicContact OD2-NZ 3.27Å; D121-K123 PolarHBondContact OD2-NZ 3.31Å; K123-I128 HydrophobicContact CB-CG2 4.45Å; K123-I128 HydrophobicContact CD-CB 4.26Å; K123-I128 VanDerWaalsContact CD-O 3.24Å; K123-I128 WeakPolarHBondContact CD-O 3.41Å; K123-I128 PolarHBondContact NZ-O 3.2Å
124	N	94.7	Very high	93.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-134	78.1	177.9	-177.5	44.7	0	0	0	110.1	I23 F45 S47 F50 V51 S52 D127	I23-N124 HydrophobicContact CD1-CB 3.88Å; F45-N124 HydrophobicContact CE2-CB 3.73Å; F45-N124 HydrophobicContact CZ-CB 3.81Å; S47-N124 PolarHBondContact OG-ND2 2.72Å; F50-N124 PolarHBondContact O-ND2 3.07Å; V51-N124 WeakPolarHBondContact CA-OD1 3.39Å; S52-N124 PolarHBondContact N-OD1 2.89Å; N124-D127 CarbonylContact C-O 3.52Å; N124-D127 PolarHBondContact N-O 2.95Å; N124-D127 CarbonylContact O-C 3.53Å; N124-D127 VanDerWaalsContact O-CA 3.29Å; N124-D127 WeakPolarHBondContact O-CA 3.47Å; N124-D127 WeakPolarHBondContact O-CB 3.42Å; N124-D127 PolarHBondContact O-N 2.86Å; N124-D127 VanDerWaalsContact O-O 3.12Å
125	P	91.9	Very high	94.1	Very high	43 Å²	43	39.4 Å²	39.4	28%	0.279	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.1	135.6	-175.8	-28.8	36	0	0	0	113.2	S52 D54 D127 I128	S52-P125 WeakPolarHBondContact CB-O 3.43Å; D54-P125 HydrophobicContact CB-CG 4.03Å; D54-P125 WeakPolarHBondContact O-CD 3.35Å; P125-D127 VanDerWaalsContact C-N 3.35Å; P125-I128 HydrophobicContact CB-CG2 4.31Å; P125-I128 HydrophobicContact CG-CG2 3.97Å
126	P	88.8	Confident	94.2	Very high	48 Å²	48	41.5 Å²	41.5	31%	0.312	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	cis	-79.1	-6.4	5.4	33.5	-36.7	0	0	0	114.7	S20 I128	S20-P126 WeakPolarHBondContact CB-O 3.31Å; P126-I128 PolarHBondContact O-N 3.29Å
127	D	87.5	Confident	94.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-79.2	82.8	178.6	-66.4	-2.3	0	0	0	110.6	Q21 S47 R49 N124 P125	Q21-D127 PolarHBondContact N-OD1 3.3Å; S47-D127 PolarHBondContact OG-OD2 3.21Å; R49-D127 WeakPolarHBondContact CG-OD2 3.25Å; N124-D127 CarbonylContact C-O 3.52Å; N124-D127 PolarHBondContact N-O 2.95Å; N124-D127 CarbonylContact O-C 3.53Å; N124-D127 VanDerWaalsContact O-CA 3.29Å; N124-D127 WeakPolarHBondContact O-CA 3.47Å; N124-D127 WeakPolarHBondContact O-CB 3.42Å; N124-D127 PolarHBondContact O-N 2.86Å; N124-D127 VanDerWaalsContact O-O 3.12Å; P125-D127 VanDerWaalsContact C-N 3.35Å
128	I	84.8	Confident	94.1	Very high	90 Å²	90	41.8 Å²	41.8	46%	0.462	22%	0.221	S	C	.	.			trans	-103.2	-14.2	178.5	63.4	171	0	0	0	113.1	K123 P125 P126 G130	K123-I128 HydrophobicContact CB-CG2 4.45Å; K123-I128 HydrophobicContact CD-CB 4.26Å; K123-I128 VanDerWaalsContact CD-O 3.24Å; K123-I128 WeakPolarHBondContact CD-O 3.41Å; K123-I128 PolarHBondContact NZ-O 3.2Å; P125-I128 HydrophobicContact CB-CG2 4.31Å; P125-I128 HydrophobicContact CG-CG2 3.97Å; P126-I128 PolarHBondContact O-N 3.29Å; I128-G130 PolarHBondContact O-N 3.48Å
129	V	85.1	Confident	93.9	Very high	86 Å²	86	42 Å²	42	52%	0.521	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	101.4	-176.4	-175.6	0	0	0	0	108.6	A22 I23	A22-V129 CarbonylContact C-O 3.6Å; A22-V129 WeakPolarHBondContact CA-O 3.34Å; I23-V129 PolarHBondContact N-O 3Å
130	G	86.2	Confident	93.6	Very high	21 Å²	21	44 Å²	44	22%	0.216	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	152.3	-179.4	0	0	0	0	0	111.8	I23 I128	I23-G130 WeakPolarHBondContact O-CA 3.46Å; I128-G130 PolarHBondContact O-N 3.48Å
131	R	92.8	Very high	93	Very high	222 Å²	222	48.7 Å²	48.7	84%	0.838	25%	0.25	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.7	132.2	173.7	-68.6	-175.2	-178.8	-179.8	1	109.2
132	P	96.4	Very high	91.5	Very high	60 Å²	60	52.4 Å²	52.4	39%	0.39	27%	0.274	S	S	.	.			trans	-58.7	152.5	168.8	-21.5	32.5	0	0	0	111.2	T119 C120 D121	T119-P132 HydrophobicContact CG2-CB 3.46Å; T119-P132 VanDerWaalsContact CG2-CB 3.46Å; C120-P132 CarbonylContact O-C 3.6Å; C120-P132 VanDerWaalsContact O-CA 3.29Å; C120-P132 WeakPolarHBondContact O-CA 3.44Å; C120-P132 WeakPolarHBondContact O-CB 3.2Å; D121-P132 HydrophobicContact CB-CB 4.13Å; D121-P132 HydrophobicContact CB-CG 4.02Å
133	S	97.9	Very high	89.9	Confident	31 Å²	31	60 Å²	60	22%	0.217	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	144.4	177.8	-161.8	0	0	0	0	109.9	V25 T27 T119 C120	V25-S133 WeakPolarHBondContact O-CB 3.03Å; V25-S133 PolarHBondContact O-OG 2.72Å; T27-S133 PolarHBondContact N-OG 3Å; T27-S133 PolarHBondContact OG1-OG 2.89Å; T27-S133 VanDerWaalsContact OG1-OG 3.08Å; T119-S133 CarbonylContact C-O 3.46Å; T119-S133 WeakPolarHBondContact CA-O 3.29Å; C120-S133 PolarHBondContact N-O 2.79Å; C120-S133 PolarHBondContact O-N 3.29Å
134	S	98.1	Very high	88	Confident	54 Å²	54	63 Å²	63	38%	0.378	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	144.3	-170	-58.1	0	0	0	0	112	T27 F118 T119	T27-S134 PolarHBondContact OG1-N 2.95Å; T27-S134 PolarHBondContact OG1-O 2.99Å; F118-S134 CarbonylContact O-C 3.53Å; F118-S134 VanDerWaalsContact O-CA 3.28Å; F118-S134 WeakPolarHBondContact O-CA 3.33Å; T119-S134 WeakPolarHBondContact CG2-OG 3.18Å; T119-S134 PolarHBondContact OG1-OG 2.76Å
135	V	98.1	Very high	86.2	Confident	2 Å²	2	66.4 Å²	66.4	1%	0.012	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	135.7	173.8	60.5	0	0	0	0	109.4	S28 R31 L41 W59 F118	S28-V135 WeakPolarHBondContact O-CA 3.39Å; S28-V135 WeakPolarHBondContact O-CB 3.47Å; S28-V135 WeakPolarHBondContact O-CG2 3.43Å; R31-V135 HydrophobicContact CB-CG2 4.32Å; R31-V135 HydrophobicContact CG-CG2 3.6Å; L41-V135 HydrophobicContact CB-CG1 4.48Å; L41-V135 HydrophobicContact CD1-CG1 4.24Å; L41-V135 HydrophobicContact CD2-CG1 4.14Å; W59-V135 HydrophobicContact CH2-CG1 4.19Å; W59-V135 HydrophobicContact CZ3-CG1 4.04Å; F118-V135 HydrophobicContact CB-CG1 3.88Å; F118-V135 PolarHBondContact N-O 3.04Å; F118-V135 PolarHBondContact O-N 2.99Å
136	R	97.5	Very high	84.6	Confident	87 Å²	87	68 Å²	68	33%	0.328	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	125.5	172.7	-172.3	163.1	168.7	74.2	5.8	109.8	W29 E30 R31 D64 L138	W29-R136 PolarHBondContact O-N 3.45Å; E30-R136 CarbonylContact C-O 3.51Å; E30-R136 VanDerWaalsContact CA-O 3.29Å; E30-R136 WeakPolarHBondContact CA-O 3.35Å; E30-R136 HydrophobicContact CG-CB 4.47Å; R31-R136 PolarHBondContact N-O 3.41Å; D64-R136 IonicContact OD1-CZ 3.29Å; D64-R136 IonicContact OD1-NH1 2.98Å; D64-R136 PolarHBondContact OD1-NH1 2.88Å; D64-R136 IonicContact OD1-NH2 3.73Å; D64-R136 IonicContact OD2-CZ 2.96Å; D64-R136 VanDerWaalsContact OD2-CZ 3.29Å; D64-R136 IonicContact OD2-NH1 3.9Å; D64-R136 PolarHBondContact OD2-NH1 3.37Å; D64-R136 IonicContact OD2-NH2 2.69Å; D64-R136 PolarHBondContact OD2-NH2 3.1Å; R136-L138 HydrophobicContact CG-CD2 4.33Å; R136-L138 HydrophobicContact CG-CG 4.5Å
137	L	97.2	Very high	83	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	127.7	174.5	179.8	62.6	0	0	0	108.9	R31 A33 V39 L110 G116 F118 V139	R31-L137 HydrophobicContact CB-CD1 4.19Å; R31-L137 WeakPolarHBondContact O-CA 3.35Å; A33-L137 HydrophobicContact CB-CD1 4.26Å; V39-L137 HydrophobicContact CG1-CD1 4.05Å; V39-L137 HydrophobicContact CG1-CD2 4.08Å; V39-L137 HydrophobicContact CG2-CD1 4.15Å; L110-L137 HydrophobicContact CD2-CD2 3.84Å; G116-L137 PolarHBondContact N-O 3.01Å; G116-L137 PolarHBondContact O-N 3.14Å; F118-L137 HydrophobicContact CD2-CB 3.91Å; F118-L137 HydrophobicContact CE2-CB 3.66Å; F118-L137 HydrophobicContact CE2-CD2 3.68Å; F118-L137 HydrophobicContact CE2-CG 4.33Å; F118-L137 HydrophobicContact CZ-CD2 4.1Å; L137-V139 HydrophobicContact CD2-CG2 4.25Å; L137-V139 HydrophobicContact CG-CG2 4.1Å
138	L	95.1	Very high	81.6	Confident	30 Å²	30	76.6 Å²	76.6	16%	0.157	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	118.4	173.7	-60.6	176.9	0	0	0	109.2	E30 R31 H32 A33 N115 R136 F140	E30-L138 VanDerWaalsContact CD-CD1 3.45Å; E30-L138 HydrophobicContact CG-CD1 4.06Å; E30-L138 HydrophobicContact CG-CG 4.38Å; R31-L138 PolarHBondContact O-N 2.84Å; H32-L138 VanDerWaalsContact CA-O 3.31Å; H32-L138 WeakPolarHBondContact CA-O 3.32Å; A33-L138 PolarHBondContact N-O 2.67Å; N115-L138 WeakPolarHBondContact OD1-CA 3.13Å; R136-L138 HydrophobicContact CG-CD2 4.33Å; R136-L138 HydrophobicContact CG-CG 4.5Å; L138-F140 HydrophobicContact CB-CD2 4.38Å; L138-F140 HydrophobicContact CB-CE2 3.43Å; L138-F140 VanDerWaalsContact CB-CE2 3.43Å; L138-F140 HydrophobicContact CB-CZ 3.58Å; L138-F140 HydrophobicContact CD1-CE2 4.5Å; L138-F140 HydrophobicContact CD1-CZ 4.04Å; L138-F140 HydrophobicContact CG-CZ 4.42Å; L138-F140 WeakPolarHBondContact O-CD2 3.44Å
139	V	94.3	Very high	80.4	Confident	5 Å²	5	75.1 Å²	75.1	3%	0.03	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	124.7	-179.1	-171.8	0	0	0	0	108.5	A33 V35 L110 N115 L137	A33-V139 WeakPolarHBondContact O-CA 3.32Å; V35-V139 HydrophobicContact CB-CG1 4.37Å; V35-V139 HydrophobicContact CG2-CG1 3.56Å; L110-V139 HydrophobicContact CB-CG1 4.21Å; L110-V139 HydrophobicContact CB-CG2 4.43Å; L110-V139 HydrophobicContact CD1-CG2 4.3Å; L110-V139 HydrophobicContact CD2-CG2 4.49Å; N115-V139 WeakPolarHBondContact OD1-CB 3.43Å; N115-V139 WeakPolarHBondContact OD1-CG2 3.16Å; N115-V139 PolarHBondContact OD1-N 3.38Å; L137-V139 HydrophobicContact CD2-CG2 4.25Å; L137-V139 HydrophobicContact CG-CG2 4.1Å
140	F	90.8	Very high	79.7	Confident	73 Å²	73	73.7 Å²	73.7	32%	0.32	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	160.1	-178.6	-56.5	-83.7	0	0	0	110.9	H32 A33 L34 V35 L138 L144	H32-F140 HydrophobicContact CB-CD2 4.19Å; H32-F140 HydrophobicContact CB-CE2 3.86Å; H32-F140 AromaticContact CD2-CE2 3.87Å; H32-F140 AromaticContact CG-CE2 3.6Å; H32-F140 AromaticContact ND1-CE2 3.87Å; A33-F140 PolarHBondContact O-N 3.15Å; L34-F140 CarbonylContact C-O 3.58Å; L34-F140 VanDerWaalsContact CA-O 3.22Å; L34-F140 WeakPolarHBondContact CA-O 3.25Å; L34-F140 HydrophobicContact CD2-CB 4.49Å; V35-F140 PolarHBondContact N-O 3.35Å; L138-F140 HydrophobicContact CB-CD2 4.38Å; L138-F140 HydrophobicContact CB-CE2 3.43Å; L138-F140 VanDerWaalsContact CB-CE2 3.43Å; L138-F140 HydrophobicContact CB-CZ 3.58Å; L138-F140 HydrophobicContact CD1-CE2 4.5Å; L138-F140 HydrophobicContact CD1-CZ 4.04Å; L138-F140 HydrophobicContact CG-CZ 4.42Å; L138-F140 WeakPolarHBondContact O-CD2 3.44Å; F140-L144 HydrophobicContact CB-CB 4.45Å
141	E	85.5	Confident	79.4	Confident	99 Å²	99	77.4 Å²	77.4	46%	0.463	42%	0.416	S	S	.	.			trans	-87.4	153.8	170.6	-146.8	162.7	-172.9	0	0	111	F112 F143 L144 V145	F112-E141 HydrophobicContact CE1-CB 4.44Å; F112-E141 HydrophobicContact CZ-CB 3.97Å; F112-E141 HydrophobicContact CZ-CG 4.24Å; E141-F143 PolarHBondContact O-N 2.91Å; E141-L144 HydrophobicContact CB-CD1 4.23Å; E141-L144 WeakPolarHBondContact O-CA 3.33Å; E141-L144 WeakPolarHBondContact O-CB 3.42Å; E141-L144 PolarHBondContact O-N 2.96Å; E141-V145 PolarHBondContact O-N 3.47Å
142	T	66.7	Low	78.7	Confident	99 Å²	99	70.8 Å²	70.8	61%	0.607	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-57.7	-30.5	177.1	41.3	0	0	0	0	112.9	L34 L144 V145	L34-T142 HydrophobicContact CD1-CG2 3.81Å; L34-T142 HydrophobicContact CD2-CG2 4.43Å; T142-L144 PolarHBondContact O-N 2.52Å; T142-V145 VanDerWaalsContact O-CB 3.28Å; T142-V145 WeakPolarHBondContact O-CB 3.28Å; T142-V145 WeakPolarHBondContact O-CG2 3.14Å; T142-V145 PolarHBondContact O-N 3.45Å
143	F	63	Low	78	Confident	159 Å²	159	71.7 Å²	71.7	70%	0.697	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-70.1	-17.9	174.6	-165	-93.8	0	0	0	113.3	E141 I147	E141-F143 PolarHBondContact O-N 2.91Å; F143-I147 HydrophobicContact CD1-CD1 4.26Å; F143-I147 HydrophobicContact CD2-CD1 4.28Å; F143-I147 HydrophobicContact CE1-CD1 4.06Å; F143-I147 HydrophobicContact CE2-CD1 4.09Å; F143-I147 HydrophobicContact CG-CD1 4.37Å; F143-I147 HydrophobicContact CZ-CD1 3.97Å; F143-I147 VanDerWaalsContact O-CD1 3.27Å; F143-I147 WeakPolarHBondContact O-CD1 3.35Å
144	L	55.5	Low	77.5	Confident	114 Å²	114	72.3 Å²	72.3	60%	0.597	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-92.3	-11.6	174.4	-66.3	165	0	0	0	112.9	F140 E141 T142	F140-L144 HydrophobicContact CB-CB 4.45Å; E141-L144 HydrophobicContact CB-CD1 4.23Å; E141-L144 WeakPolarHBondContact O-CA 3.33Å; E141-L144 WeakPolarHBondContact O-CB 3.42Å; E141-L144 PolarHBondContact O-N 2.96Å; T142-L144 PolarHBondContact O-N 2.52Å
145	V	57.5	Low	77.1	Confident	71 Å²	71	72.4 Å²	72.4	43%	0.43	42%	0.416	S	S	.	.	S	Bend	trans	-56.9	131.6	164.2	-179.8	0	0	0	0	106.2	L34 E141 T142 I147	L34-V145 HydrophobicContact CD1-CG2 4.32Å; L34-V145 HydrophobicContact CD2-CG2 3.51Å; E141-V145 PolarHBondContact O-N 3.47Å; T142-V145 VanDerWaalsContact O-CB 3.28Å; T142-V145 WeakPolarHBondContact O-CB 3.28Å; T142-V145 WeakPolarHBondContact O-CG2 3.14Å; T142-V145 PolarHBondContact O-N 3.45Å; V145-I147 VanDerWaalsContact C-N 3.27Å; V145-I147 PolarHBondContact O-N 3.49Å
146	P	57.4	Low	76.9	Confident	77 Å²	77	77.1 Å²	77.1	50%	0.5	44%	0.44	S	S	.	.			trans	-66.8	88	-163.1	27.2	-35.6	0	0	0	110.9	Q148 A149	P146-Q148 HydrophobicContact CB-CB 3.84Å; P146-Q148 PolarHBondContact O-N 3Å; P146-A149 PolarHBondContact O-N 2.98Å
147	I	54.9	Low	76.8	Confident	93 Å²	93	77.4 Å²	77.4	48%	0.477	45%	0.447	S	S	.	.	H	α-helix	trans	-49.4	-19.2	149.9	20	-174.9	0	0	0	109.9	F143 V145 A149 G150 V151	F143-I147 HydrophobicContact CD1-CD1 4.26Å; F143-I147 HydrophobicContact CD2-CD1 4.28Å; F143-I147 HydrophobicContact CE1-CD1 4.06Å; F143-I147 HydrophobicContact CE2-CD1 4.09Å; F143-I147 HydrophobicContact CG-CD1 4.37Å; F143-I147 HydrophobicContact CZ-CD1 3.97Å; F143-I147 VanDerWaalsContact O-CD1 3.27Å; F143-I147 WeakPolarHBondContact O-CD1 3.35Å; V145-I147 VanDerWaalsContact C-N 3.27Å; V145-I147 PolarHBondContact O-N 3.49Å; I147-A149 VanDerWaalsContact C-N 3.32Å; I147-A149 PolarHBondContact O-N 3.32Å; I147-G150 PolarHBondContact O-N 3.47Å; I147-V151 VanDerWaalsContact O-CB 3.24Å; I147-V151 WeakPolarHBondContact O-CB 3.39Å; I147-V151 WeakPolarHBondContact O-CG2 3.41Å; I147-V151 PolarHBondContact O-N 3.27Å
148	Q	57.9	Low	76.7	Confident	135 Å²	135	79.4 Å²	79.4	63%	0.631	47%	0.468	S	S	*	.	H	α-helix	trans	-47.2	-46.2	162	-98.6	175.8	-70.9	0	0	113.8	P146 G150 V151 I152	P146-Q148 HydrophobicContact CB-CB 3.84Å; P146-Q148 PolarHBondContact O-N 3Å; Q148-G150 PolarHBondContact O-N 2.78Å; Q148-V151 PolarHBondContact O-N 3.34Å; Q148-I152 HydrophobicContact CB-CD1 3.82Å; Q148-I152 HydrophobicContact CG-CD1 3.96Å; Q148-I152 WeakPolarHBondContact O-CA 3.29Å; Q148-I152 WeakPolarHBondContact O-CB 3.43Å; Q148-I152 WeakPolarHBondContact O-CD1 3.4Å; Q148-I152 WeakPolarHBondContact O-CG1 3.36Å; Q148-I152 PolarHBondContact O-N 2.96Å
149	A	61.3	Low	76.8	Confident	60 Å²	60	82.4 Å²	82.4	50%	0.496	49%	0.487	S	S	.	.	H	α-helix	trans	-63.8	-48.3	-176.4	0	0	0	0	0	111.4	P146 I147 T153	P146-A149 PolarHBondContact O-N 2.98Å; I147-A149 VanDerWaalsContact C-N 3.32Å; I147-A149 PolarHBondContact O-N 3.32Å; A149-T153 WeakPolarHBondContact O-CB 3.37Å; A149-T153 PolarHBondContact O-N 2.65Å; A149-T153 PolarHBondContact O-OG1 2.74Å
150	G	70.2	Confident	76.9	Confident	55 Å²	55	85.9 Å²	85.9	57%	0.567	51%	0.508	S	S	*	.	H	α-helix	trans	-66.8	-41.9	178.2	0	0	0	0	0	113.4	I147 Q148 G154	I147-G150 PolarHBondContact O-N 3.47Å; Q148-G150 PolarHBondContact O-N 2.78Å; G150-G154 PolarHBondContact O-N 3.16Å
151	V	78.5	Confident	77.2	Confident	99 Å²	99	87.3 Å²	87.3	60%	0.6	52%	0.519	S	S	*	.	H	α-helix	trans	-71.5	-41.2	-179.7	174.7	0	0	0	0	111.5	I147 Q148 G154 A155	I147-V151 VanDerWaalsContact O-CB 3.24Å; I147-V151 WeakPolarHBondContact O-CB 3.39Å; I147-V151 WeakPolarHBondContact O-CG2 3.41Å; I147-V151 PolarHBondContact O-N 3.27Å; Q148-V151 PolarHBondContact O-N 3.34Å; V151-G154 PolarHBondContact O-N 3.05Å; V151-A155 VanDerWaalsContact O-CB 3.3Å; V151-A155 WeakPolarHBondContact O-CB 3.34Å; V151-A155 PolarHBondContact O-N 2.76Å
152	I	78.3	Confident	77.7	Confident	84 Å²	84	84.5 Å²	84.5	43%	0.431	52%	0.516	S	S	.	.	H	α-helix	trans	-63.5	-46.8	176.4	-67.3	164.4	0	0	0	109.6	Q148 G154 A155 I156	Q148-I152 HydrophobicContact CB-CD1 3.82Å; Q148-I152 HydrophobicContact CG-CD1 3.96Å; Q148-I152 WeakPolarHBondContact O-CA 3.29Å; Q148-I152 WeakPolarHBondContact O-CB 3.43Å; Q148-I152 WeakPolarHBondContact O-CD1 3.4Å; Q148-I152 WeakPolarHBondContact O-CG1 3.36Å; Q148-I152 PolarHBondContact O-N 2.96Å; I152-G154 PolarHBondContact O-N 2.95Å; I152-A155 PolarHBondContact O-N 2.9Å; I152-I156 HydrophobicContact CG2-CD1 3.84Å; I152-I156 WeakPolarHBondContact O-CD1 3.43Å; I152-I156 VanDerWaalsContact O-CG1 3.25Å; I152-I156 WeakPolarHBondContact O-CG1 3.02Å; I152-I156 PolarHBondContact O-N 2.81Å; I152-I156 VanDerWaalsContact O-N 3.11Å
153	T	82.5	Confident	79.2	Confident	79 Å²	79	84.4 Å²	84.4	49%	0.485	51%	0.512	S	S	.	.	H	α-helix	trans	-63.4	-43.1	177	-60.3	0	0	0	0	111.7	A149 I156 I157	A149-T153 WeakPolarHBondContact O-CB 3.37Å; A149-T153 PolarHBondContact O-N 2.65Å; A149-T153 PolarHBondContact O-OG1 2.74Å; T153-I156 PolarHBondContact O-N 3.29Å; T153-I157 HydrophobicContact CG2-CD1 3.76Å; T153-I157 VanDerWaalsContact O-CG1 3.28Å; T153-I157 WeakPolarHBondContact O-CG1 3.33Å; T153-I157 PolarHBondContact O-N 2.99Å; T153-I157 VanDerWaalsContact O-N 3.09Å
154	G	87.5	Confident	80.8	Confident	43 Å²	43	81.6 Å²	81.6	44%	0.443	50%	0.503	S	S	.	.	H	α-helix	trans	-62.7	-42	177.2	0	0	0	0	0	113.3	G150 V151 I152 I157 G158	G150-G154 PolarHBondContact O-N 3.16Å; V151-G154 PolarHBondContact O-N 3.05Å; I152-G154 PolarHBondContact O-N 2.95Å; G154-I157 PolarHBondContact O-N 3.39Å; G154-G158 PolarHBondContact O-N 2.98Å
155	A	90.5	Very high	82.8	Confident	56 Å²	56	80.6 Å²	80.6	46%	0.463	50%	0.502	S	S	.	.	H	α-helix	trans	-64	-44.2	177.9	0	0	0	0	0	112	V151 I152 G158 V159	V151-A155 VanDerWaalsContact O-CB 3.3Å; V151-A155 WeakPolarHBondContact O-CB 3.34Å; V151-A155 PolarHBondContact O-N 2.76Å; I152-A155 PolarHBondContact O-N 2.9Å; A155-G158 PolarHBondContact O-N 2.86Å; A155-V159 VanDerWaalsContact O-CG2 3.31Å; A155-V159 WeakPolarHBondContact O-CG2 3.28Å; A155-V159 PolarHBondContact O-N 3Å
156	I	92.9	Very high	84.7	Confident	102 Å²	102	81.8 Å²	81.8	52%	0.523	51%	0.505	S	S	.	.	H	α-helix	trans	-61.9	-48.3	178.2	-65.6	164.2	0	0	0	110.3	I152 T153 G158 V159 V160	I152-I156 HydrophobicContact CG2-CD1 3.84Å; I152-I156 WeakPolarHBondContact O-CD1 3.43Å; I152-I156 VanDerWaalsContact O-CG1 3.25Å; I152-I156 WeakPolarHBondContact O-CG1 3.02Å; I152-I156 PolarHBondContact O-N 2.81Å; I152-I156 VanDerWaalsContact O-N 3.11Å; T153-I156 PolarHBondContact O-N 3.29Å; I156-G158 VanDerWaalsContact C-N 3.34Å; I156-G158 PolarHBondContact O-N 3.24Å; I156-V159 PolarHBondContact O-N 2.84Å; I156-V160 VanDerWaalsContact O-CG2 3.32Å; I156-V160 WeakPolarHBondContact O-CG2 3.4Å; I156-V160 PolarHBondContact O-N 3.18Å
157	I	94.9	Very high	86.6	Confident	93 Å²	93	83.2 Å²	83.2	48%	0.477	51%	0.508	S	S	.	.	H	α-helix	trans	-62	-43.9	179.2	-66.1	167.8	0	0	0	110.6	T153 G154 V159 V160 L161	T153-I157 HydrophobicContact CG2-CD1 3.76Å; T153-I157 VanDerWaalsContact O-CG1 3.28Å; T153-I157 WeakPolarHBondContact O-CG1 3.33Å; T153-I157 PolarHBondContact O-N 2.99Å; T153-I157 VanDerWaalsContact O-N 3.09Å; G154-I157 PolarHBondContact O-N 3.39Å; I157-V159 PolarHBondContact O-N 2.88Å; I157-V160 PolarHBondContact O-N 3.34Å; I157-L161 HydrophobicContact CG2-CD1 3.74Å; I157-L161 HydrophobicContact CG2-CG 4.29Å; I157-L161 WeakPolarHBondContact O-CB 3.49Å; I157-L161 WeakPolarHBondContact O-CG 3.21Å; I157-L161 PolarHBondContact O-N 3.18Å
158	G	95.6	Very high	88.6	Confident	42 Å²	42	82.3 Å²	82.3	43%	0.433	51%	0.506	S	S	.	.	H	α-helix	trans	-61.4	-43.5	179.1	0	0	0	0	0	113	G154 A155 I156 G162	G154-G158 PolarHBondContact O-N 2.98Å; A155-G158 PolarHBondContact O-N 2.86Å; I156-G158 VanDerWaalsContact C-N 3.34Å; I156-G158 PolarHBondContact O-N 3.24Å; G158-G162 PolarHBondContact O-N 3.24Å
159	V	96.3	Very high	90.4	Very high	92 Å²	92	79.4 Å²	79.4	56%	0.558	50%	0.497	S	S	*	.	H	α-helix	trans	-65.3	-44.7	177.4	172.3	0	0	0	0	111.1	A155 I156 I157 G162 L163	A155-V159 VanDerWaalsContact O-CG2 3.31Å; A155-V159 WeakPolarHBondContact O-CG2 3.28Å; A155-V159 PolarHBondContact O-N 3Å; I156-V159 PolarHBondContact O-N 2.84Å; I157-V159 PolarHBondContact O-N 2.88Å; V159-G162 PolarHBondContact O-N 2.93Å; V159-L163 HydrophobicContact CG1-CD1 3.97Å; V159-L163 HydrophobicContact CG1-CG 4.39Å; V159-L163 WeakPolarHBondContact O-CB 3.47Å; V159-L163 VanDerWaalsContact O-CG 3.31Å; V159-L163 WeakPolarHBondContact O-CG 3.42Å; V159-L163 PolarHBondContact O-N 3.28Å
160	V	97.1	Very high	92.1	Very high	79 Å²	79	80.7 Å²	80.7	48%	0.479	50%	0.495	S	S	.	.	H	α-helix	trans	-63	-47.6	179.5	173.5	0	0	0	0	111.1	I156 I157 L163 L164	I156-V160 VanDerWaalsContact O-CG2 3.32Å; I156-V160 WeakPolarHBondContact O-CG2 3.4Å; I156-V160 PolarHBondContact O-N 3.18Å; I157-V160 PolarHBondContact O-N 3.34Å; V160-L163 PolarHBondContact O-N 2.88Å; V160-L164 HydrophobicContact CG1-CD1 4.38Å; V160-L164 WeakPolarHBondContact O-CG 3.49Å; V160-L164 PolarHBondContact O-N 2.85Å
161	L	96.9	Very high	93.4	Very high	102 Å²	102	84.6 Å²	84.6	53%	0.534	49%	0.494	S	S	.	.	H	α-helix	trans	-64.1	-41	177.2	-70.1	175.4	0	0	0	111.8	I157 L163 L164 V165	I157-L161 HydrophobicContact CG2-CD1 3.74Å; I157-L161 HydrophobicContact CG2-CG 4.29Å; I157-L161 WeakPolarHBondContact O-CB 3.49Å; I157-L161 WeakPolarHBondContact O-CG 3.21Å; I157-L161 PolarHBondContact O-N 3.18Å; L161-L163 PolarHBondContact O-N 2.89Å; L161-L164 PolarHBondContact O-N 3.21Å; L161-V165 WeakPolarHBondContact O-CG2 3.41Å; L161-V165 PolarHBondContact O-N 2.81Å
162	G	97.1	Very high	94.2	Very high	40 Å²	40	86.8 Å²	86.8	41%	0.412	49%	0.492	S	S	.	.	H	α-helix	trans	-60.8	-43.8	176.2	0	0	0	0	0	112.7	G158 V159 V165 L166	G158-G162 PolarHBondContact O-N 3.24Å; V159-G162 PolarHBondContact O-N 2.93Å; G162-V165 PolarHBondContact O-N 2.93Å; G162-L166 WeakPolarHBondContact O-CB 3.35Å; G162-L166 PolarHBondContact O-N 2.81Å
163	L	97.2	Very high	95	Very high	98 Å²	98	87.4 Å²	87.4	51%	0.513	50%	0.496	S	S	.	.	H	α-helix	trans	-64.7	-41.4	176.5	-73.3	173.2	0	0	0	112.2	V159 V160 L161 L166 I167	V159-L163 HydrophobicContact CG1-CD1 3.97Å; V159-L163 HydrophobicContact CG1-CG 4.39Å; V159-L163 WeakPolarHBondContact O-CB 3.47Å; V159-L163 VanDerWaalsContact O-CG 3.31Å; V159-L163 WeakPolarHBondContact O-CG 3.42Å; V159-L163 PolarHBondContact O-N 3.28Å; V160-L163 PolarHBondContact O-N 2.88Å; L161-L163 PolarHBondContact O-N 2.89Å; L163-L166 PolarHBondContact O-N 2.88Å; L163-I167 VanDerWaalsContact O-CG1 3.27Å; L163-I167 WeakPolarHBondContact O-CG1 3.17Å; L163-I167 PolarHBondContact O-N 2.81Å
164	L	97.1	Very high	95.5	Very high	99 Å²	99	89 Å²	89	52%	0.518	50%	0.499	S	S	.	.	H	α-helix	trans	-61.9	-46.1	176.6	-72.5	174.8	0	0	0	111.8	V160 L161 L166 I167 V168	V160-L164 HydrophobicContact CG1-CD1 4.38Å; V160-L164 WeakPolarHBondContact O-CG 3.49Å; V160-L164 PolarHBondContact O-N 2.85Å; L161-L164 PolarHBondContact O-N 3.21Å; L164-L166 VanDerWaalsContact C-N 3.33Å; L164-L166 PolarHBondContact O-N 3.24Å; L164-I167 PolarHBondContact O-N 3.17Å; L164-V168 WeakPolarHBondContact O-CG2 3.44Å; L164-V168 PolarHBondContact O-N 3.04Å; L164-V168 VanDerWaalsContact O-N 3.1Å
165	V	97.3	Very high	95.8	Very high	93 Å²	93	94.4 Å²	94.4	56%	0.564	51%	0.506	S	S	*	.	H	α-helix	trans	-62.2	-42.7	176.6	173.3	0	0	0	0	110.7	L161 G162 I167 V168 V169	L161-V165 WeakPolarHBondContact O-CG2 3.41Å; L161-V165 PolarHBondContact O-N 2.81Å; G162-V165 PolarHBondContact O-N 2.93Å; V165-I167 PolarHBondContact O-N 3.41Å; V165-V168 PolarHBondContact O-N 2.86Å; V165-V169 HydrophobicContact CG1-CG2 4.4Å; V165-V169 WeakPolarHBondContact O-CG2 3.43Å; V165-V169 PolarHBondContact O-N 2.83Å
166	L	96.6	Very high	95.9	Very high	97 Å²	97	97.8 Å²	97.8	51%	0.508	51%	0.51	S	S	.	.	H	α-helix	trans	-61.8	-43.3	178.2	-173.4	124	0	0	0	112.2	G162 L163 L164 V168 V169 I170	G162-L166 WeakPolarHBondContact O-CB 3.35Å; G162-L166 PolarHBondContact O-N 2.81Å; L163-L166 PolarHBondContact O-N 2.88Å; L164-L166 VanDerWaalsContact C-N 3.33Å; L164-L166 PolarHBondContact O-N 3.24Å; L166-V168 VanDerWaalsContact C-N 3.34Å; L166-V168 PolarHBondContact O-N 2.79Å; L166-V169 PolarHBondContact O-N 2.69Å; L166-I170 HydrophobicContact CD2-CD1 3.61Å; L166-I170 HydrophobicContact CG-CD1 4.1Å; L166-I170 VanDerWaalsContact O-CG1 3.31Å; L166-I170 WeakPolarHBondContact O-CG1 3.44Å; L166-I170 PolarHBondContact O-N 2.84Å
167	I	97.1	Very high	95.7	Very high	107 Å²	107	97.2 Å²	97.2	55%	0.549	51%	0.508	S	S	.	.	H	α-helix	trans	-60.1	-45	175.7	-70.5	164.6	0	0	0	110.9	L163 L164 V165 I170 Y171	L163-I167 VanDerWaalsContact O-CG1 3.27Å; L163-I167 WeakPolarHBondContact O-CG1 3.17Å; L163-I167 PolarHBondContact O-N 2.81Å; L164-I167 PolarHBondContact O-N 3.17Å; V165-I167 PolarHBondContact O-N 3.41Å; I167-I170 PolarHBondContact O-N 3.22Å; I167-Y171 WeakPolarHBondContact O-CB 3.46Å; I167-Y171 PolarHBondContact O-N 2.89Å
168	V	96.9	Very high	95.4	Very high	74 Å²	74	96.7 Å²	96.7	45%	0.448	51%	0.509	S	S	.	.	H	α-helix	trans	-62.5	-44.8	178.8	172.1	0	0	0	0	111	L164 V165 L166 Y171 Y172	L164-V168 WeakPolarHBondContact O-CG2 3.44Å; L164-V168 PolarHBondContact O-N 3.04Å; L164-V168 VanDerWaalsContact O-N 3.1Å; V165-V168 PolarHBondContact O-N 2.86Å; L166-V168 VanDerWaalsContact C-N 3.34Å; L166-V168 PolarHBondContact O-N 2.79Å; V168-Y171 WeakPolarHBondContact O-CB 3.24Å; V168-Y171 PolarHBondContact O-N 2.81Å; V168-Y172 HydrophobicContact CG1-CD2 3.63Å; V168-Y172 HydrophobicContact CG1-CE2 3.44Å; V168-Y172 VanDerWaalsContact CG1-CE2 3.44Å; V168-Y172 WeakPolarHBondContact O-CD2 3.46Å; V168-Y172 PolarHBondContact O-N 2.86Å
169	V	96.8	Very high	94.9	Very high	73 Å²	73	97.5 Å²	97.5	44%	0.442	51%	0.511	S	S	.	.	H	α-helix	trans	-61.2	-46.8	176.7	171.4	0	0	0	0	111.1	V165 L166 Y171 Y172 L173	V165-V169 HydrophobicContact CG1-CG2 4.4Å; V165-V169 WeakPolarHBondContact O-CG2 3.43Å; V165-V169 PolarHBondContact O-N 2.83Å; L166-V169 PolarHBondContact O-N 2.69Å; V169-Y171 VanDerWaalsContact C-N 3.31Å; V169-Y171 PolarHBondContact O-N 3.32Å; V169-Y172 PolarHBondContact O-N 3.16Å; V169-L173 HydrophobicContact CG1-CD1 3.86Å; V169-L173 HydrophobicContact CG1-CG 4.27Å; V169-L173 WeakPolarHBondContact O-CB 3.29Å; V169-L173 VanDerWaalsContact O-CG 3.32Å; V169-L173 WeakPolarHBondContact O-CG 3.47Å; V169-L173 PolarHBondContact O-N 2.93Å
170	I	96.6	Very high	94.3	Very high	88 Å²	88	101.2 Å²	101.2	45%	0.451	52%	0.515	S	S	.	.	H	α-helix	trans	-59.7	-43.7	177.1	-69.4	168.9	0	0	0	110.6	L166 I167 Y172 L173 M174	L166-I170 HydrophobicContact CD2-CD1 3.61Å; L166-I170 HydrophobicContact CG-CD1 4.1Å; L166-I170 VanDerWaalsContact O-CG1 3.31Å; L166-I170 WeakPolarHBondContact O-CG1 3.44Å; L166-I170 PolarHBondContact O-N 2.84Å; I167-I170 PolarHBondContact O-N 3.22Å; I170-Y172 PolarHBondContact O-N 2.95Å; I170-L173 PolarHBondContact O-N 3.23Å; I170-M174 HydrophobicContact CG2-CG 4.22Å; I170-M174 WeakPolarHBondContact O-CB 3.23Å; I170-M174 VanDerWaalsContact O-CG 3.26Å; I170-M174 WeakPolarHBondContact O-CG 3.33Å; I170-M174 PolarHBondContact O-N 2.82Å
171	Y	97.1	Very high	93.6	Very high	136 Å²	136	106.5 Å²	106.5	53%	0.533	53%	0.527	S	S	.	.	H	α-helix	trans	-58.9	-47.8	177	172.3	-97.1	0	0	0	112.2	I167 V168 V169 M174 R175	I167-Y171 WeakPolarHBondContact O-CB 3.46Å; I167-Y171 PolarHBondContact O-N 2.89Å; V168-Y171 WeakPolarHBondContact O-CB 3.24Å; V168-Y171 PolarHBondContact O-N 2.81Å; V169-Y171 VanDerWaalsContact C-N 3.31Å; V169-Y171 PolarHBondContact O-N 3.32Å; Y171-M174 PolarHBondContact O-N 3.35Å; Y171-R175 WeakPolarHBondContact O-CB 3.43Å; Y171-R175 PolarHBondContact O-N 3.42Å
172	Y	96.5	Very high	92.6	Very high	146 Å²	146	105.3 Å²	105.3	57%	0.573	52%	0.523	S	S	*	.	H	α-helix	trans	-65.5	-41.4	177.7	-79.8	-67.7	0	0	0	112.5	V168 V169 I170 R175 F176	V168-Y172 HydrophobicContact CG1-CD2 3.63Å; V168-Y172 HydrophobicContact CG1-CE2 3.44Å; V168-Y172 VanDerWaalsContact CG1-CE2 3.44Å; V168-Y172 WeakPolarHBondContact O-CD2 3.46Å; V168-Y172 PolarHBondContact O-N 2.86Å; V169-Y172 PolarHBondContact O-N 3.16Å; I170-Y172 PolarHBondContact O-N 2.95Å; Y172-R175 PolarHBondContact O-N 2.95Å; Y172-F176 WeakPolarHBondContact O-CB 3.2Å; Y172-F176 PolarHBondContact O-N 2.03Å
173	L	94.9	Very high	91.6	Very high	97 Å²	97	110.5 Å²	110.5	51%	0.508	54%	0.535	S	S	.	.	H	α-helix	trans	-61.8	-46.5	175.4	-73.1	175	0	0	0	111.2	V169 I170 R175 F176 L177	V169-L173 HydrophobicContact CG1-CD1 3.86Å; V169-L173 HydrophobicContact CG1-CG 4.27Å; V169-L173 WeakPolarHBondContact O-CB 3.29Å; V169-L173 VanDerWaalsContact O-CG 3.32Å; V169-L173 WeakPolarHBondContact O-CG 3.47Å; V169-L173 PolarHBondContact O-N 2.93Å; I170-L173 PolarHBondContact O-N 3.23Å; L173-R175 PolarHBondContact O-N 2.8Å; L173-F176 PolarHBondContact O-N 2.83Å; L173-L177 WeakPolarHBondContact O-CB 3.35Å; L173-L177 VanDerWaalsContact O-CG 3.23Å; L173-L177 WeakPolarHBondContact O-CG 3.18Å; L173-L177 PolarHBondContact O-N 3.27Å
174	M	92.6	Very high	90.5	Very high	111 Å²	111	109.1 Å²	109.1	55%	0.547	53%	0.533	S	S	.	.	H	α-helix	trans	-60.1	-46.1	176.3	-75.2	-63	-68.8	0	0	111.4	I170 Y171 F176 L177 V178	I170-M174 HydrophobicContact CG2-CG 4.22Å; I170-M174 WeakPolarHBondContact O-CB 3.23Å; I170-M174 VanDerWaalsContact O-CG 3.26Å; I170-M174 WeakPolarHBondContact O-CG 3.33Å; I170-M174 PolarHBondContact O-N 2.82Å; Y171-M174 PolarHBondContact O-N 3.35Å; M174-F176 VanDerWaalsContact C-N 3.32Å; M174-F176 PolarHBondContact O-N 3.4Å; M174-L177 PolarHBondContact O-N 2.82Å; M174-V178 WeakPolarHBondContact O-CB 3.41Å; M174-V178 VanDerWaalsContact O-CG2 3.26Å; M174-V178 WeakPolarHBondContact O-CG2 3.48Å; M174-V178 PolarHBondContact O-N 2.76Å
175	R	93.3	Very high	89.5	Confident	157 Å²	157	109.7 Å²	109.7	59%	0.592	54%	0.537	S	S	*	.	H	α-helix	trans	-60.2	-42.3	176.1	-174.1	175.8	179.9	-179.4	-1.1	111.9	Y171 Y172 L173 V178 A179	Y171-R175 WeakPolarHBondContact O-CB 3.43Å; Y171-R175 PolarHBondContact O-N 3.42Å; Y172-R175 PolarHBondContact O-N 2.95Å; L173-R175 PolarHBondContact O-N 2.8Å; R175-V178 PolarHBondContact O-N 3.08Å; R175-A179 WeakPolarHBondContact O-CB 3.22Å; R175-A179 PolarHBondContact O-N 3.22Å
176	F	92.5	Very high	88.1	Confident	127 Å²	127	109.4 Å²	109.4	56%	0.557	53%	0.532	S	S	*	.	H	α-helix	trans	-64.2	-45.9	176.7	-179.7	-101	0	0	0	111.9	Y172 L173 M174 V178 A179 R180	Y172-F176 WeakPolarHBondContact O-CB 3.2Å; Y172-F176 PolarHBondContact O-N 2.03Å; L173-F176 PolarHBondContact O-N 2.83Å; M174-F176 VanDerWaalsContact C-N 3.32Å; M174-F176 PolarHBondContact O-N 3.4Å; F176-V178 PolarHBondContact O-N 3.3Å; F176-A179 PolarHBondContact O-N 3.04Å; F176-R180 WeakPolarHBondContact O-CB 3.35Å; F176-R180 PolarHBondContact O-N 2.93Å
177	L	89.5	Confident	86.7	Confident	91 Å²	91	108.7 Å²	108.7	48%	0.476	53%	0.532	S	S	.	.	H	α-helix	trans	-63.8	-39.7	177.7	-68.8	175.3	0	0	0	112	L173 M174 R180 R181	L173-L177 WeakPolarHBondContact O-CB 3.35Å; L173-L177 VanDerWaalsContact O-CG 3.23Å; L173-L177 WeakPolarHBondContact O-CG 3.18Å; L173-L177 PolarHBondContact O-N 3.27Å; M174-L177 PolarHBondContact O-N 2.82Å; L177-R180 PolarHBondContact O-N 3.33Å; L177-R181 PolarHBondContact O-N 3.42Å
178	V	89.1	Confident	85.4	Confident	82 Å²	82	107.4 Å²	107.4	50%	0.497	53%	0.532	S	S	.	.	H	α-helix	trans	-65.5	-47.5	174.5	172.1	0	0	0	0	110.8	M174 R175 F176 R180 R181 V182	M174-V178 WeakPolarHBondContact O-CB 3.41Å; M174-V178 VanDerWaalsContact O-CG2 3.26Å; M174-V178 WeakPolarHBondContact O-CG2 3.48Å; M174-V178 PolarHBondContact O-N 2.76Å; R175-V178 PolarHBondContact O-N 3.08Å; F176-V178 PolarHBondContact O-N 3.3Å; V178-R180 VanDerWaalsContact C-N 3.29Å; V178-R180 PolarHBondContact O-N 3.04Å; V178-R181 PolarHBondContact O-N 3.27Å; V178-V182 HydrophobicContact CG1-CG2 4.44Å; V178-V182 WeakPolarHBondContact O-CG2 3.35Å; V178-V182 PolarHBondContact O-N 2.76Å
179	A	84.5	Confident	83.9	Confident	58 Å²	58	110.9 Å²	110.9	48%	0.479	54%	0.541	S	S	.	.	H	α-helix	trans	-58.6	-41.8	176.2	0	0	0	0	0	111.8	R175 F176 V182 F183	R175-A179 WeakPolarHBondContact O-CB 3.22Å; R175-A179 PolarHBondContact O-N 3.22Å; F176-A179 PolarHBondContact O-N 3.04Å; A179-V182 PolarHBondContact O-N 3.15Å; A179-F183 PolarHBondContact O-N 2.82Å
180	R	83.9	Confident	82.3	Confident	170 Å²	170	114.4 Å²	114.4	64%	0.642	55%	0.552	S	S	*	*	H	α-helix	trans	-65.7	-39.4	177.2	-155.7	178	-173.5	-170.7	2.6	112.2	F176 L177 V178 F183 S184	F176-R180 WeakPolarHBondContact O-CB 3.35Å; F176-R180 PolarHBondContact O-N 2.93Å; L177-R180 PolarHBondContact O-N 3.33Å; V178-R180 VanDerWaalsContact C-N 3.29Å; V178-R180 PolarHBondContact O-N 3.04Å; R180-F183 PolarHBondContact O-N 2.84Å; R180-S184 PolarHBondContact O-N 3.02Å
181	R	81.8	Confident	80.8	Confident	191 Å²	191	112.1 Å²	112.1	72%	0.721	55%	0.55	S	S	*	*	H	α-helix	trans	-64.3	-43.3	172.1	-82.7	-172.8	178	-177.4	1.1	112.2	L177 V178 F183 S184 L185	L177-R181 PolarHBondContact O-N 3.42Å; V178-R181 PolarHBondContact O-N 3.27Å; R181-F183 VanDerWaalsContact C-N 3.32Å; R181-F183 PolarHBondContact O-N 3.02Å; R181-S184 PolarHBondContact O-N 2.99Å; R181-S184 PolarHBondContact O-OG 2.99Å; R181-L185 WeakPolarHBondContact O-CG 3.31Å; R181-L185 PolarHBondContact O-N 2.92Å
182	V	77.1	Confident	79	Confident	76 Å²	76	112.7 Å²	112.7	46%	0.461	56%	0.556	S	S	.	*	H	α-helix	trans	-62.5	-41.7	177.4	172.8	0	0	0	0	110.8	V178 A179 L185 N186	V178-V182 HydrophobicContact CG1-CG2 4.44Å; V178-V182 WeakPolarHBondContact O-CG2 3.35Å; V178-V182 PolarHBondContact O-N 2.76Å; A179-V182 PolarHBondContact O-N 3.15Å; V182-L185 PolarHBondContact O-N 3.24Å; V182-N186 PolarHBondContact O-N 2.9Å
183	F	75.7	Confident	77.2	Confident	149 Å²	149	113.4 Å²	113.4	65%	0.654	56%	0.562	S	S	*	*	H	α-helix	trans	-62.8	-44.5	175.9	-170.3	-98.4	0	0	0	112.2	A179 R180 R181 L185 N186 V187	A179-F183 PolarHBondContact O-N 2.82Å; R180-F183 PolarHBondContact O-N 2.84Å; R181-F183 VanDerWaalsContact C-N 3.32Å; R181-F183 PolarHBondContact O-N 3.02Å; F183-L185 VanDerWaalsContact C-N 3.33Å; F183-L185 PolarHBondContact O-N 2.8Å; F183-N186 PolarHBondContact O-N 2.6Å; F183-V187 HydrophobicContact CD1-CG2 4.07Å; F183-V187 HydrophobicContact CE1-CG2 3.77Å; F183-V187 HydrophobicContact CZ-CG2 4.11Å; F183-V187 WeakPolarHBondContact O-CG2 3.4Å; F183-V187 PolarHBondContact O-N 3.49Å
184	S	73.9	Confident	75.4	Confident	69 Å²	69	116.8 Å²	116.8	48%	0.483	57%	0.572	S	S	.	*	H	α-helix	trans	-64.6	-36.1	178.7	75.7	0	0	0	0	112.9	R180 R181 S188	R180-S184 PolarHBondContact O-N 3.02Å; R181-S184 PolarHBondContact O-N 2.99Å; R181-S184 PolarHBondContact O-OG 2.99Å; S184-S188 WeakPolarHBondContact O-CB 3.49Å; S184-S188 PolarHBondContact O-N 3.31Å
185	L	75.8	Confident	73.8	Confident	112 Å²	112	119.1 Å²	119.1	59%	0.586	58%	0.579	S	S	*	*	H	α-helix	trans	-68	-37.9	174.7	-68.3	173.8	0	0	0	112.3	R181 V182 F183 S188 K189	R181-L185 WeakPolarHBondContact O-CG 3.31Å; R181-L185 PolarHBondContact O-N 2.92Å; V182-L185 PolarHBondContact O-N 3.24Å; F183-L185 VanDerWaalsContact C-N 3.33Å; F183-L185 PolarHBondContact O-N 2.8Å; L185-S188 PolarHBondContact O-N 3.38Å; L185-K189 PolarHBondContact O-N 2.93Å
186	N	67	Low	72.2	Confident	86 Å²	86	117 Å²	117	46%	0.46	58%	0.576	S	S	.	*	H	α-helix	trans	-68.5	-38.8	176.2	-80.1	-21.3	0	0	0	112.7	V182 F183 K189 H190	V182-N186 PolarHBondContact O-N 2.9Å; F183-N186 PolarHBondContact O-N 2.6Å; N186-K189 PolarHBondContact O-N 3.01Å; N186-H190 PolarHBondContact O-N 3.31Å; N186-H190 PolarHBondContact O-ND1 3.4Å
187	V	68.3	Low	70.5	Confident	83 Å²	83	112.8 Å²	112.8	50%	0.503	57%	0.568	S	S	.	*	H	α-helix	trans	-63.8	-42.5	173.1	172.9	0	0	0	0	110.7	F183 K189 H190 G191	F183-V187 HydrophobicContact CD1-CG2 4.07Å; F183-V187 HydrophobicContact CE1-CG2 3.77Å; F183-V187 HydrophobicContact CZ-CG2 4.11Å; F183-V187 WeakPolarHBondContact O-CG2 3.4Å; F183-V187 PolarHBondContact O-N 3.49Å; V187-K189 PolarHBondContact O-N 3.12Å; V187-H190 PolarHBondContact O-N 3.41Å; V187-G191 PolarHBondContact O-N 3.01Å
188	S	69.5	Low	69	Low	79 Å²	79	112.1 Å²	112.1	55%	0.552	57%	0.571	S	S	*	*	H	α-helix	trans	-61.8	-41	175.3	-174.1	0	0	0	0	112.5	S184 L185 G191 K192	S184-S188 WeakPolarHBondContact O-CB 3.49Å; S184-S188 PolarHBondContact O-N 3.31Å; L185-S188 PolarHBondContact O-N 3.38Å; S188-G191 PolarHBondContact O-N 3.44Å; S188-K192 PolarHBondContact O-N 3.11Å; S188-K192 VanDerWaalsContact O-N 3.09Å
189	K	64.7	Low	67.6	Low	148 Å²	148	114.5 Å²	114.5	64%	0.643	58%	0.577	S	S	*	*	H	α-helix	trans	-64.6	-42.1	174	-80.6	-174	178.1	179.2	0	113.2	L185 N186 V187 G191 K192 K193	L185-K189 PolarHBondContact O-N 2.93Å; N186-K189 PolarHBondContact O-N 3.01Å; V187-K189 PolarHBondContact O-N 3.12Å; K189-G191 VanDerWaalsContact C-N 3.34Å; K189-K192 PolarHBondContact O-N 3.44Å; K189-K193 PolarHBondContact O-N 3.47Å; K189-K193 VanDerWaalsContact O-N 3.07Å
190	H	64.2	Low	66.3	Low	147 Å²	147	118.8 Å²	118.8	68%	0.681	59%	0.587	S	S	*	*	H	α-helix	trans	-66	-36.7	176.3	-89	59.6	0	0	0	112.2	N186 V187 K194	N186-H190 PolarHBondContact O-N 3.31Å; N186-H190 PolarHBondContact O-ND1 3.4Å; V187-H190 PolarHBondContact O-N 3.41Å; H190-K194 PolarHBondContact O-N 3.47Å
191	G	64.2	Low	65	Low	40 Å²	40	120.6 Å²	120.6	41%	0.412	59%	0.594	S	S	.	*	H	α-helix	trans	-63.3	-39.5	173.3	0	0	0	0	0	113.5	V187 S188 K189 K195	V187-G191 PolarHBondContact O-N 3.01Å; S188-G191 PolarHBondContact O-N 3.44Å; K189-G191 VanDerWaalsContact C-N 3.34Å; G191-K195 PolarHBondContact O-N 3.23Å
192	K	59.2	Low	63.9	Low	148 Å²	148	119.2 Å²	119.2	64%	0.643	60%	0.595	S	S	*	*	H	α-helix	trans	-68.6	-46.4	175.8	-106	-173.1	175	-174.1	0	113	S188 K189 K194 K195 E196	S188-K192 PolarHBondContact O-N 3.11Å; S188-K192 VanDerWaalsContact O-N 3.09Å; K189-K192 PolarHBondContact O-N 3.44Å; K192-K194 VanDerWaalsContact C-N 3.28Å; K192-K194 PolarHBondContact O-N 3.1Å; K192-K195 PolarHBondContact O-N 3.42Å; K192-K195 VanDerWaalsContact O-N 3.1Å; K192-E196 PolarHBondContact O-N 2.97Å; K192-E196 VanDerWaalsContact O-N 3.08Å
193	K	59.2	Low	63	Low	160 Å²	160	122 Å²	122	70%	0.696	61%	0.606	S	S	*	*	H	α-helix	trans	-58.6	-37.2	177.2	-93.2	-171.3	173.5	-175.4	0	113.1	K189 G197	K189-K193 PolarHBondContact O-N 3.47Å; K189-K193 VanDerWaalsContact O-N 3.07Å; K193-G197 PolarHBondContact O-N 3.21Å
194	K	57.4	Low	62	Low	168 Å²	168	124 Å²	124	73%	0.73	62%	0.615	S	S	*	*	H	α-helix	trans	-68.3	-34.2	177.9	-161.7	176.6	-177.8	-179	0	112.2	H190 K192 S198	H190-K194 PolarHBondContact O-N 3.47Å; K192-K194 VanDerWaalsContact C-N 3.28Å; K192-K194 PolarHBondContact O-N 3.1Å; K194-S198 PolarHBondContact O-N 3.11Å
195	K	59.1	Low	61	Low	160 Å²	160	129.7 Å²	129.7	70%	0.696	65%	0.647	S	S	*	*	H	α-helix	trans	-70.6	-43.4	175.4	-75	-174	176.5	-174.5	0	112.2	G191 K192 S198 Q199	G191-K195 PolarHBondContact O-N 3.23Å; K192-K195 PolarHBondContact O-N 3.42Å; K192-K195 VanDerWaalsContact O-N 3.1Å; K195-S198 PolarHBondContact O-N 2.96Å; K195-Q199 WeakPolarHBondContact O-CB 3.34Å; K195-Q199 PolarHBondContact O-N 2.73Å
196	E	58.7	Low	60.2	Low	114 Å²	114	130.6 Å²	130.6	53%	0.533	65%	0.65	S	S	.	*	H	α-helix	trans	-63.8	-42	176.4	-73.9	167.8	169.4	0	0	111.8	K192 S198 Q199 Q200	K192-E196 PolarHBondContact O-N 2.97Å; K192-E196 VanDerWaalsContact O-N 3.08Å; E196-S198 PolarHBondContact O-N 3.45Å; E196-Q199 PolarHBondContact O-N 3.13Å; E196-Q200 WeakPolarHBondContact O-CB 3.47Å; E196-Q200 PolarHBondContact O-N 3.2Å
197	G	58.4	Low	59.9	Low	37 Å²	37	132.9 Å²	132.9	38%	0.381	66%	0.66	S	S	.	*	H	α-helix	trans	-66.8	-31.9	176.7	0	0	0	0	0	114.9	K193 R201	K193-G197 PolarHBondContact O-N 3.21Å; G197-R201 PolarHBondContact O-N 3.36Å
198	S	57.9	Low	59.4	Low	78 Å²	78	135.7 Å²	135.7	55%	0.545	67%	0.668	S	S	.	*	H	α-helix	trans	-75.9	-36.3	173.5	-105.4	0	0	0	0	112.4	K194 K195 E196 R201 Q202	K194-S198 PolarHBondContact O-N 3.11Å; K195-S198 PolarHBondContact O-N 2.96Å; E196-S198 PolarHBondContact O-N 3.45Å; S198-R201 PolarHBondContact O-N 3.48Å; S198-Q202 PolarHBondContact O-N 3.33Å
199	Q	58.5	Low	58.8	Low	131 Å²	131	139.1 Å²	139.1	61%	0.612	68%	0.675	S	S	*	*	H	α-helix	trans	-69.6	-37.4	177.5	-162.6	170.3	21.7	0	0	111.3	K195 E196 R201 Q202 I203	K195-Q199 WeakPolarHBondContact O-CB 3.34Å; K195-Q199 PolarHBondContact O-N 2.73Å; E196-Q199 PolarHBondContact O-N 3.13Å; Q199-R201 VanDerWaalsContact C-N 3.33Å; Q199-R201 PolarHBondContact O-N 3.28Å; Q199-Q202 PolarHBondContact O-N 3.46Å; Q199-I203 HydrophobicContact CG-CD1 4.17Å; Q199-I203 WeakPolarHBondContact O-CD1 3.35Å; Q199-I203 VanDerWaalsContact O-CG1 3.31Å; Q199-I203 WeakPolarHBondContact O-CG1 3.48Å; Q199-I203 PolarHBondContact O-N 3.02Å
200	Q	57.8	Low	58.5	Low	149 Å²	149	138.5 Å²	138.5	70%	0.696	68%	0.677	S	S	*	*	H	α-helix	trans	-73.1	-21.4	177.7	-151.8	160.3	15.8	0	0	113.7	E196	E196-Q200 WeakPolarHBondContact O-CB 3.47Å; E196-Q200 PolarHBondContact O-N 3.2Å
201	R	56.8	Low	58.1	Low	208 Å²	208	137.9 Å²	137.9	79%	0.785	68%	0.677	S	S	*	*	H	α-helix	trans	-78.8	-28.9	169.9	-82.4	-176.2	-179	-172	-0.2	113.6	G197 S198 Q199	G197-R201 PolarHBondContact O-N 3.36Å; S198-R201 PolarHBondContact O-N 3.48Å; Q199-R201 VanDerWaalsContact C-N 3.33Å; Q199-R201 PolarHBondContact O-N 3.28Å
202	Q	57.9	Low	57.6	Low	161 Å²	161	144.9 Å²	144.9	75%	0.752	70%	0.696	S	S	*	*	H	α-helix	trans	-79.6	-21.3	177.8	-75	-75.5	-15	0	0	113.2	S198 Q199	S198-Q202 PolarHBondContact O-N 3.33Å; Q199-Q202 PolarHBondContact O-N 3.46Å
203	I	58.5	Low	57.5	Low	134 Å²	134	144.7 Å²	144.7	69%	0.687	70%	0.7	S	S	*	*	S	Bend	trans	-86.5	-7.5	179.8	-64.5	164.6	0	0	0	112.3	Q199	Q199-I203 HydrophobicContact CG-CD1 4.17Å; Q199-I203 WeakPolarHBondContact O-CD1 3.35Å; Q199-I203 VanDerWaalsContact O-CG1 3.31Å; Q199-I203 WeakPolarHBondContact O-CG1 3.48Å; Q199-I203 PolarHBondContact O-N 3.02Å
204	K	54.9	Low	57.4	Low	191 Å²	191	143.4 Å²	143.4	83%	0.83	70%	0.7	S	S	*	*			trans	-111.3	19.9	-171.9	-142.4	179.4	-169.5	-178.5	0	114.7
205	V	52.6	Low	57.4	Low	190 Å²	190	141.2 Å²	141.2	100%	1.152	70%	0.697	S	S	*	*			trans	-117	0	175.6	-177.1	0	0	0	0	109.2

Retrieved 205 of 205 residues in 218.7 ms (Link to these results)

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