A0A087YLW1_POEFO Loading...

FERM domain-containing protein 3

AlphaFold DB , UniProt , Accession A0A087YLW1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 608 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	35.8	Very low	40.2	Very low	242 Å²	242	170.1 Å²	170.1	100%	1.192	83%	0.83	S	S	*	*				0	118.9	0	-72.2	177.4	173.4	0	0	109.3
2	L	32.3	Very low	41.1	Very low	165 Å²	165	169.7 Å²	169.7	86%	0.864	83%	0.833	S	S	*	*			trans	-89.6	114.1	169.1	-72	168.2	0	0	0	108.4	F4	L2-F4 PolarHBondContact O-N 3.1Å; L2-F4 VanDerWaalsContact O-N 3.12Å
3	R	33.8	Very low	42.5	Very low	244 Å²	244	163 Å²	163	92%	0.921	80%	0.803	S	S	*	*			trans	-74.1	99.8	171.7	-90.2	-175.5	169.2	171.9	-3.2	108.9	R5	R3-R5 PolarHBondContact O-N 3.4Å; R3-R5 VanDerWaalsContact O-N 3.07Å
4	F	36.8	Very low	44.6	Very low	193 Å²	193	162.5 Å²	162.5	85%	0.846	80%	0.798	S	S	*	*			trans	-55.7	113.3	160.3	-78.1	-90.6	0	0	0	108.5	L2 S6	L2-F4 PolarHBondContact O-N 3.1Å; L2-F4 VanDerWaalsContact O-N 3.12Å; F4-S6 PolarHBondContact O-N 3.09Å
5	R	39.9	Very low	47.3	Very low	240 Å²	240	159.5 Å²	159.5	91%	0.906	78%	0.781	S	S	*	*			trans	-73.8	105.1	161.3	-81.9	-176.2	169.1	179.5	-2.8	106.7	R3	R3-R5 PolarHBondContact O-N 3.4Å; R3-R5 VanDerWaalsContact O-N 3.07Å
6	S	42.1	Very low	49.8	Very low	101 Å²	101	149.9 Å²	149.9	71%	0.706	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-50.1	137.9	164.6	-50	0	0	0	0	109.1	F4 S8	F4-S6 PolarHBondContact O-N 3.09Å; S6-S8 PolarHBondContact O-N 2.95Å; S6-S8 VanDerWaalsContact O-N 3.14Å
7	P	38.9	Very low	52.2	Low	122 Å²	122	146 Å²	146	79%	0.792	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-57.9	123.3	175.2	24.4	-32.7	0	0	0	108.6	I9	P7-I9 PolarHBondContact O-N 3.16Å
8	S	42.1	Very low	54.4	Low	82 Å²	82	137.9 Å²	137.9	57%	0.573	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-66	127.6	-174.2	-177.6	0	0	0	0	110.2	S6 R10	S6-S8 PolarHBondContact O-N 2.95Å; S6-S8 VanDerWaalsContact O-N 3.14Å; S8-R10 PolarHBondContact O-N 3.28Å
9	I	47.9	Very low	56.5	Low	164 Å²	164	131.4 Å²	131.4	84%	0.841	65%	0.646	S	S	*	*	S	Bend	trans	-75	60.1	173.7	-47.5	175.2	0	0	0	108.9	P7	P7-I9 PolarHBondContact O-N 3.16Å
10	R	46.1	Very low	58.5	Low	228 Å²	228	124.9 Å²	124.9	86%	0.86	61%	0.614	S	S	*	*			trans	-140.7	25.3	-178.6	-68.4	-168.3	173.2	-169.4	-2.4	112.7	S8	S8-R10 PolarHBondContact O-N 3.28Å
11	S	46.2	Very low	60.2	Low	90 Å²	90	121.4 Å²	121.4	63%	0.629	59%	0.594	S	S	*	*			trans	-131	72.3	154	60.1	0	0	0	0	108.2	D13	S11-D13 PolarHBondContact O-N 2.96Å
12	L	51.1	Low	63	Low	165 Å²	165	109.9 Å²	109.9	86%	0.864	54%	0.537	S	S	*	.			trans	-60.2	112.8	143.7	-72.6	168.9	0	0	0	104.5	Q14	L12-Q14 PolarHBondContact O-N 2.99Å
13	D	59.3	Low	65.9	Low	83 Å²	83	102 Å²	102	44%	0.444	50%	0.497	S	S	.	.			trans	-57.5	130.5	178.9	-82	-49.5	0	0	0	108.6	S11 E15 Q33	S11-D13 PolarHBondContact O-N 2.96Å; D13-E15 VanDerWaalsContact C-N 3.31Å; D13-E15 PolarHBondContact O-N 3.29Å; D13-Q33 HydrophobicContact CB-CG 4.25Å
14	Q	72.1	Confident	68.4	Low	156 Å²	156	92.7 Å²	92.7	73%	0.729	47%	0.465	S	S	*	.			trans	-70.4	92.5	-175.9	-173.1	174.3	12.2	0	0	108.8	L12 V16	L12-Q14 PolarHBondContact O-N 2.99Å; Q14-V16 PolarHBondContact O-N 3.12Å
15	E	84.6	Confident	70.9	Confident	118 Å²	118	84.6 Å²	84.6	55%	0.551	43%	0.43	S	S	*	.			trans	-61.2	127.5	178	-74.1	-167.5	-152.1	0	0	110.3	D13 T31 I32	D13-E15 VanDerWaalsContact C-N 3.31Å; D13-E15 PolarHBondContact O-N 3.29Å; E15-T31 WeakPolarHBondContact OE2-CB 3.22Å; E15-T31 WeakPolarHBondContact OE2-CG2 3.31Å; E15-T31 PolarHBondContact OE2-OG1 2.87Å; E15-I32 WeakPolarHBondContact CA-O 3.36Å
16	V	87.9	Confident	73.3	Confident	6 Å²	6	75.7 Å²	75.7	4%	0.036	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	124.7	178.1	179.4	0	0	0	0	108.5	Q14 C18 T31 I32 V78 F88	Q14-V16 PolarHBondContact O-N 3.12Å; V16-C18 PolarHBondContact O-N 3.24Å; V16-T31 WeakPolarHBondContact O-CA 3.28Å; V16-I32 HydrophobicContact CB-CG1 4.1Å; V16-I32 PolarHBondContact N-O 3.37Å; V16-I32 WeakPolarHBondContact O-CG1 3.48Å; V16-I32 PolarHBondContact O-N 3.48Å; V16-V78 HydrophobicContact CG2-CG2 4.16Å; V16-F88 HydrophobicContact CG1-CD1 4.44Å; V16-F88 HydrophobicContact CG1-CD2 3.54Å; V16-F88 HydrophobicContact CG1-CE2 3.66Å; V16-F88 HydrophobicContact CG1-CG 3.96Å; V16-F88 HydrophobicContact CG1-CZ 4.17Å
17	L	90.6	Very high	75.7	Confident	83 Å²	83	75.7 Å²	75.7	44%	0.435	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	120.3	172	-174.7	63.9	0	0	0	110.1	T31 P87 F88	L17-T31 HydrophobicContact CD1-CG2 4.34Å; L17-P87 HydrophobicContact CB-CB 4.4Å; L17-P87 HydrophobicContact CD2-CB 4.3Å; L17-P87 HydrophobicContact CG-CB 4.45Å; L17-F88 PolarHBondContact O-N 2.88Å
18	C	92.4	Very high	78.3	Confident	0 Å²	0	71 Å²	71	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	128.2	171.1	-78.3	0	0	0	0	110.1	V16 S29 C30 I32 L41 F88	V16-C18 PolarHBondContact O-N 3.24Å; C18-S29 CarbonylContact O-C 3.59Å; C18-S29 VanDerWaalsContact O-CA 3.26Å; C18-S29 WeakPolarHBondContact O-CA 3.43Å; C18-C30 PolarHBondContact N-O 3.07Å; C18-C30 PolarHBondContact O-N 2.89Å; C18-I32 WeakPolarHBondContact SG-CD1 3.41Å; C18-L41 HydrophobicContact CB-CD1 4.42Å; C18-L41 HydrophobicContact CB-CD2 4.38Å; C18-F88 WeakPolarHBondContact CA-O 3.24Å
19	T	94.3	Very high	80.8	Confident	15 Å²	15	70.2 Å²	70.2	9%	0.092	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	125.6	173.8	-58.3	0	0	0	0	109.1	E27 S29 F88 T89 M90	T19-E27 HydrophobicContact CG2-CB 3.94Å; T19-E27 WeakPolarHBondContact CG2-OE2 3.32Å; T19-S29 WeakPolarHBondContact CG2-OG 3.46Å; T19-S29 PolarHBondContact OG1-OG 3.27Å; T19-F88 PolarHBondContact N-O 3.26Å; T19-T89 CarbonylContact O-C 3.48Å; T19-T89 WeakPolarHBondContact O-CA 3.1Å; T19-M90 PolarHBondContact O-N 2.87Å
20	I	95.3	Very high	82.9	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	110.3	-177.2	-50.2	170.1	0	0	0	108.5	L22 I28 L41 V45 I59 M90 F92	I20-L22 HydrophobicContact CG2-CD2 4.22Å; I20-I28 HydrophobicContact CB-CG1 4.23Å; I20-I28 PolarHBondContact N-O 3.14Å; I20-I28 PolarHBondContact O-N 2.86Å; I20-L41 HydrophobicContact CD1-CB 4.07Å; I20-L41 HydrophobicContact CD1-CD2 4.28Å; I20-V45 HydrophobicContact CB-CG2 4.35Å; I20-V45 HydrophobicContact CD1-CG2 3.59Å; I20-V45 HydrophobicContact CG2-CG2 3.91Å; I20-I59 HydrophobicContact CD1-CD1 3.93Å; I20-M90 WeakPolarHBondContact CA-O 3.33Å; I20-F92 HydrophobicContact CG2-CB 4Å
21	R	95.2	Very high	85.2	Confident	52 Å²	52	56 Å²	56	20%	0.196	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	121.5	173.2	-174	172.1	173.7	126.9	-6.4	110.3	D25 S26 E27 M90 C91 F92 R93 S352	R21-D25 IonicContact CZ-OD1 3.12Å; R21-D25 IonicContact NE-OD1 2.95Å; R21-D25 PolarHBondContact NE-OD1 3.43Å; R21-D25 VanDerWaalsContact NH2-CG 3.25Å; R21-D25 IonicContact NH2-OD1 2.64Å; R21-D25 PolarHBondContact NH2-OD1 3.32Å; R21-D25 IonicContact NH2-OD2 3.01Å; R21-S26 CarbonylContact C-O 3.6Å; R21-S26 WeakPolarHBondContact CA-O 3.33Å; R21-E27 HydrophobicContact CB-CG 4Å; R21-E27 WeakPolarHBondContact CD-OE1 3.5Å; R21-E27 HydrophobicContact CG-CG 4.01Å; R21-E27 IonicContact NH1-OE1 3.86Å; R21-E27 PolarHBondContact NH1-OE1 2.92Å; R21-M90 PolarHBondContact N-O 2.93Å; R21-C91 CarbonylContact O-C 3.59Å; R21-C91 VanDerWaalsContact O-CA 3.32Å; R21-C91 WeakPolarHBondContact O-CA 3.35Å; R21-F92 PolarHBondContact O-N 3.26Å; R21-R93 PolarHBondContact O-NH1 3.18Å; R21-S352 PolarHBondContact NH2-OG 3.21Å
22	L	94.8	Very high	87.4	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.274	C	S	.	.			trans	-84.6	-173.2	-172.9	-59.4	-168.9	0	0	0	112.2	I20 D24 D25 S26 I28 V45 Y49 F92 R93	I20-L22 HydrophobicContact CG2-CD2 4.22Å; L22-D24 WeakPolarHBondContact CB-OD1 3.44Å; L22-D25 PolarHBondContact O-N 3.38Å; L22-S26 PolarHBondContact N-O 2.89Å; L22-I28 HydrophobicContact CD1-CG1 4.47Å; L22-I28 HydrophobicContact CD1-CG2 3.88Å; L22-I28 HydrophobicContact CD2-CD1 4.23Å; L22-I28 HydrophobicContact CD2-CG1 4.13Å; L22-I28 HydrophobicContact CG-CG1 4.45Å; L22-V45 HydrophobicContact CD2-CG1 3.61Å; L22-V45 HydrophobicContact CD2-CG2 4.21Å; L22-Y49 HydrophobicContact CB-CE2 4.37Å; L22-Y49 WeakPolarHBondContact CB-OH 3.19Å; L22-Y49 HydrophobicContact CD1-CE2 3.95Å; L22-Y49 HydrophobicContact CD2-CE2 4.33Å; L22-Y49 HydrophobicContact CG-CE2 4.47Å; L22-F92 HydrophobicContact CD2-CB 4.01Å; L22-R93 PolarHBondContact O-NH1 3.01Å; L22-R93 PolarHBondContact O-NH2 2.86Å
23	L	91.8	Very high	89.3	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.005	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-19.4	-172.3	-88.3	164.3	0	0	0	113.6	D25 F57 F92 L112 L115 Q116 R119	L23-D25 VanDerWaalsContact C-N 3.32Å; L23-F57 HydrophobicContact CD1-CD1 4.03Å; L23-F57 HydrophobicContact CD1-CE1 3.78Å; L23-F92 HydrophobicContact CD1-CD1 3.9Å; L23-F92 HydrophobicContact CD1-CE1 3.86Å; L23-F92 HydrophobicContact CG-CD1 4.2Å; L23-L112 HydrophobicContact CB-CD2 4.1Å; L23-L112 HydrophobicContact CD1-CB 3.91Å; L23-L112 HydrophobicContact CD1-CD2 4.01Å; L23-L112 HydrophobicContact CD1-CG 4.46Å; L23-L115 HydrophobicContact CB-CB 4.2Å; L23-L115 HydrophobicContact CB-CD1 4.24Å; L23-Q116 HydrophobicContact CD2-CB 3.93Å; L23-R119 VanDerWaalsContact O-CZ 3.22Å; L23-R119 PolarHBondContact O-NH1 3.04Å; L23-R119 PolarHBondContact O-NH2 2.66Å
24	D	87.9	Confident	90.7	Very high	47 Å²	47	50.3 Å²	50.3	25%	0.251	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	1.4	170.1	40.8	45.1	0	0	0	112.5	L22 S26 Y49 L115	L22-D24 WeakPolarHBondContact CB-OD1 3.44Å; D24-S26 PolarHBondContact O-N 3.32Å; D24-S26 WeakPolarHBondContact OD1-CB 3.45Å; D24-S26 PolarHBondContact OD1-N 3.42Å; D24-S26 PolarHBondContact OD1-OG 3.48Å; D24-Y49 PolarHBondContact OD2-OH 3.35Å; D24-L115 HydrophobicContact CB-CD1 4.02Å
25	D	87.8	Confident	91.6	Very high	23 Å²	23	47.3 Å²	47.3	12%	0.123	24%	0.244	C	C	.	.	S	Bend	trans	65.1	11.9	-171	-69.7	-50.8	0	0	0	115.8	R21 L22 L23 R93 R119	R21-D25 IonicContact CZ-OD1 3.12Å; R21-D25 IonicContact NE-OD1 2.95Å; R21-D25 PolarHBondContact NE-OD1 3.43Å; R21-D25 VanDerWaalsContact NH2-CG 3.25Å; R21-D25 IonicContact NH2-OD1 2.64Å; R21-D25 PolarHBondContact NH2-OD1 3.32Å; R21-D25 IonicContact NH2-OD2 3.01Å; L22-D25 PolarHBondContact O-N 3.38Å; L23-D25 VanDerWaalsContact C-N 3.32Å; D25-R93 IonicContact OD1-NH2 3.38Å; D25-R93 PolarHBondContact OD1-NH2 3.37Å; D25-R119 IonicContact OD1-CZ 3.62Å; D25-R119 IonicContact OD1-NE 3.72Å; D25-R119 IonicContact OD1-NH2 3.25Å; D25-R119 PolarHBondContact OD1-NH2 3.19Å; D25-R119 VanDerWaalsContact OD1-NH2 3.14Å; D25-R119 IonicContact OD2-CZ 2.78Å; D25-R119 IonicContact OD2-NE 2.76Å; D25-R119 IonicContact OD2-NH2 3.95Å; D25-R119 PolarHBondContact OD2-NH2 2.88Å
26	S	91.1	Very high	92.1	Very high	54 Å²	54	42.9 Å²	42.9	38%	0.378	23%	0.225	S	C	.	.			trans	-66.6	165.6	158.7	73.3	0	0	0	0	111.1	R21 L22 D24	R21-S26 CarbonylContact C-O 3.6Å; R21-S26 WeakPolarHBondContact CA-O 3.33Å; L22-S26 PolarHBondContact N-O 2.89Å; D24-S26 PolarHBondContact O-N 3.32Å; D24-S26 WeakPolarHBondContact OD1-CB 3.45Å; D24-S26 PolarHBondContact OD1-N 3.42Å; D24-S26 PolarHBondContact OD1-OG 3.48Å
27	E	93.1	Very high	92.5	Very high	101 Å²	101	48.5 Å²	48.5	47%	0.472	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	127.5	-179.4	-54.8	-164.4	164.3	0	0	110.9	T19 R21	T19-E27 HydrophobicContact CG2-CB 3.94Å; T19-E27 WeakPolarHBondContact CG2-OE2 3.32Å; R21-E27 HydrophobicContact CB-CG 4Å; R21-E27 WeakPolarHBondContact CD-OE1 3.5Å; R21-E27 HydrophobicContact CG-CG 4.01Å; R21-E27 IonicContact NH1-OE1 3.86Å; R21-E27 PolarHBondContact NH1-OE1 2.92Å
28	I	93.6	Very high	92.7	Very high	23 Å²	23	44.6 Å²	44.6	12%	0.118	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	143.8	169.6	66	174.5	0	0	0	109.8	I20 L22 V45 H48	I20-I28 HydrophobicContact CB-CG1 4.23Å; I20-I28 PolarHBondContact N-O 3.14Å; I20-I28 PolarHBondContact O-N 2.86Å; L22-I28 HydrophobicContact CD1-CG1 4.47Å; L22-I28 HydrophobicContact CD1-CG2 3.88Å; L22-I28 HydrophobicContact CD2-CD1 4.23Å; L22-I28 HydrophobicContact CD2-CG1 4.13Å; L22-I28 HydrophobicContact CG-CG1 4.45Å; I28-V45 HydrophobicContact CD1-CB 4.4Å; I28-V45 HydrophobicContact CD1-CG2 3.88Å; I28-H48 HydrophobicContact CD1-CB 4.28Å
29	S	93.9	Very high	92.8	Very high	66 Å²	66	48 Å²	48	46%	0.462	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	143.6	-179.8	-63.7	0	0	0	0	111.9	C18 T19	C18-S29 CarbonylContact O-C 3.59Å; C18-S29 VanDerWaalsContact O-CA 3.26Å; C18-S29 WeakPolarHBondContact O-CA 3.43Å; T19-S29 WeakPolarHBondContact CG2-OG 3.46Å; T19-S29 PolarHBondContact OG1-OG 3.27Å
30	C	92.9	Very high	92.9	Very high	18 Å²	18	52.3 Å²	52.3	12%	0.122	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	151.3	176.8	57.3	0	0	0	0	110	C18 L41	C18-C30 PolarHBondContact N-O 3.07Å; C18-C30 PolarHBondContact O-N 2.89Å; C30-L41 WeakPolarHBondContact SG-CD2 3.33Å
31	T	92.9	Very high	92.9	Very high	76 Å²	76	52.3 Å²	52.3	47%	0.466	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	145.3	167.1	57.2	0	0	0	0	110.3	E15 V16 L17	E15-T31 WeakPolarHBondContact OE2-CB 3.22Å; E15-T31 WeakPolarHBondContact OE2-CG2 3.31Å; E15-T31 PolarHBondContact OE2-OG1 2.87Å; V16-T31 WeakPolarHBondContact O-CA 3.28Å; L17-T31 HydrophobicContact CD1-CG2 4.34Å
32	I	92.8	Very high	92.9	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.021	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	153.4	175.7	61.4	161.9	0	0	0	111.7	E15 V16 C18 T36 F40 L41 V77 V78	E15-I32 WeakPolarHBondContact CA-O 3.36Å; V16-I32 HydrophobicContact CB-CG1 4.1Å; V16-I32 PolarHBondContact N-O 3.37Å; V16-I32 WeakPolarHBondContact O-CG1 3.48Å; V16-I32 PolarHBondContact O-N 3.48Å; C18-I32 WeakPolarHBondContact SG-CD1 3.41Å; I32-T36 HydrophobicContact CB-CG2 3.98Å; I32-T36 HydrophobicContact CG2-CG2 3.84Å; I32-F40 HydrophobicContact CG2-CD1 4.17Å; I32-F40 HydrophobicContact CG2-CE1 4.08Å; I32-L41 HydrophobicContact CG2-CD2 3.71Å; I32-V77 HydrophobicContact CD1-CB 3.61Å; I32-V77 HydrophobicContact CD1-CG1 3.8Å; I32-V77 HydrophobicContact CD1-CG2 4.11Å; I32-V78 HydrophobicContact CD1-CG2 4.37Å
33	Q	91.6	Very high	93	Very high	98 Å²	98	53.4 Å²	53.4	46%	0.458	27%	0.272	S	S	.	.			trans	-85	160.3	169.6	-66.8	173.3	-15.2	0	0	110.5	D13 E35 T36	D13-Q33 HydrophobicContact CB-CG 4.25Å; Q33-E35 PolarHBondContact O-N 2.86Å; Q33-E35 VanDerWaalsContact O-N 3.14Å; Q33-T36 PolarHBondContact N-OG1 3.4Å; Q33-T36 VanDerWaalsContact N-OG1 3.09Å; Q33-T36 VanDerWaalsContact O-CB 3.23Å; Q33-T36 WeakPolarHBondContact O-CB 3.39Å; Q33-T36 PolarHBondContact O-N 3.29Å; Q33-T36 PolarHBondContact O-OG1 3.1Å
34	K	88.8	Confident	93.2	Very high	116 Å²	116	56.6 Å²	56.6	50%	0.504	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-29.4	-178.2	177.2	-174.1	174.7	-175.6	0	114.5
35	E	91.1	Very high	93.6	Very high	92 Å²	92	54.3 Å²	54.3	43%	0.43	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-9.5	179.7	-87.6	45.1	-121.4	0	0	113.5	Q33 K37 K79	Q33-E35 PolarHBondContact O-N 2.86Å; Q33-E35 VanDerWaalsContact O-N 3.14Å; E35-K37 PolarHBondContact O-N 2.89Å; E35-K79 WeakPolarHBondContact OE1-CE 3.28Å; E35-K79 IonicContact OE1-NZ 3.98Å; E35-K79 PolarHBondContact OE1-NZ 2.83Å
36	T	94.3	Very high	93.9	Very high	25 Å²	25	53.2 Å²	53.2	15%	0.153	27%	0.269	C	S	.	.			trans	-57.4	122	-178.8	-61.3	0	0	0	0	111.6	I32 Q33 F40 P76 V77	I32-T36 HydrophobicContact CB-CG2 3.98Å; I32-T36 HydrophobicContact CG2-CG2 3.84Å; Q33-T36 PolarHBondContact N-OG1 3.4Å; Q33-T36 VanDerWaalsContact N-OG1 3.09Å; Q33-T36 VanDerWaalsContact O-CB 3.23Å; Q33-T36 WeakPolarHBondContact O-CB 3.39Å; Q33-T36 PolarHBondContact O-N 3.29Å; Q33-T36 PolarHBondContact O-OG1 3.1Å; T36-F40 HydrophobicContact CG2-CB 3.75Å; T36-F40 HydrophobicContact CG2-CD1 3.51Å; T36-F40 HydrophobicContact CG2-CE1 4.32Å; T36-F40 HydrophobicContact CG2-CG 3.78Å; T36-P76 CarbonylContact O-C 3.58Å; T36-P76 VanDerWaalsContact O-CA 3.24Å; T36-P76 WeakPolarHBondContact O-CA 3.46Å; T36-V77 PolarHBondContact O-N 3.4Å
37	K	95.6	Very high	94.1	Very high	124 Å²	124	55.6 Å²	55.6	54%	0.539	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-75	149.6	-177.9	-67.3	178	-175.9	170.1	0	112	E35 Q39 F40 K75	E35-K37 PolarHBondContact O-N 2.89Å; K37-Q39 PolarHBondContact O-N 3.16Å; K37-Q39 VanDerWaalsContact O-N 3.1Å; K37-F40 WeakPolarHBondContact O-CB 3.26Å; K37-F40 PolarHBondContact O-N 2.99Å; K37-K75 CarbonylContact C-O 3.6Å; K37-K75 WeakPolarHBondContact CA-O 3.34Å
38	G	94.8	Very high	94	Very high	2 Å²	2	56 Å²	56	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-56.8	-26	176.6	0	0	0	0	0	114.8	F40 L41 L42 P73 K75	G38-F40 VanDerWaalsContact C-N 3.28Å; G38-F40 PolarHBondContact O-N 2.82Å; G38-L41 PolarHBondContact O-N 3.21Å; G38-L42 PolarHBondContact O-N 2.77Å; G38-P73 PolarHBondContact N-O 3.44Å; G38-K75 PolarHBondContact N-O 3.46Å
39	Q	95.4	Very high	93.9	Very high	70 Å²	70	56.2 Å²	56.2	33%	0.327	28%	0.279	S	S	.	.	H	α-helix	trans	-58	-37.9	173	-173.2	60.2	39.4	0	0	112.6	K37 L41 L42 D43 P73	K37-Q39 PolarHBondContact O-N 3.16Å; K37-Q39 VanDerWaalsContact O-N 3.1Å; Q39-L41 PolarHBondContact O-N 2.82Å; Q39-L42 PolarHBondContact O-N 2.9Å; Q39-D43 PolarHBondContact NE2-OD2 3.42Å; Q39-D43 PolarHBondContact O-N 2.74Å; Q39-P73 HydrophobicContact CB-CB 3.98Å; Q39-P73 PolarHBondContact N-O 3.43Å
40	F	96.3	Very high	93.8	Very high	106 Å²	106	57.4 Å²	57.4	47%	0.465	28%	0.28	S	S	.	.	H	α-helix	trans	-61.3	-43.4	179.6	172.8	-95.8	0	0	0	111.8	I32 T36 K37 G38 L42 D43 H44	I32-F40 HydrophobicContact CG2-CD1 4.17Å; I32-F40 HydrophobicContact CG2-CE1 4.08Å; T36-F40 HydrophobicContact CG2-CB 3.75Å; T36-F40 HydrophobicContact CG2-CD1 3.51Å; T36-F40 HydrophobicContact CG2-CE1 4.32Å; T36-F40 HydrophobicContact CG2-CG 3.78Å; K37-F40 WeakPolarHBondContact O-CB 3.26Å; K37-F40 PolarHBondContact O-N 2.99Å; G38-F40 VanDerWaalsContact C-N 3.28Å; G38-F40 PolarHBondContact O-N 2.82Å; F40-L42 VanDerWaalsContact C-N 3.35Å; F40-D43 PolarHBondContact O-N 3.48Å; F40-H44 VanDerWaalsContact O-CB 3.3Å; F40-H44 WeakPolarHBondContact O-CB 3.36Å; F40-H44 PolarHBondContact O-N 3.2Å
41	L	95.9	Very high	93.8	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-66	-38	176.4	-65.7	-172.6	0	0	0	111.8	C18 I20 C30 I32 G38 Q39 H44 V45 I59 L71 V77 M90	C18-L41 HydrophobicContact CB-CD1 4.42Å; C18-L41 HydrophobicContact CB-CD2 4.38Å; I20-L41 HydrophobicContact CD1-CB 4.07Å; I20-L41 HydrophobicContact CD1-CD2 4.28Å; C30-L41 WeakPolarHBondContact SG-CD2 3.33Å; I32-L41 HydrophobicContact CG2-CD2 3.71Å; G38-L41 PolarHBondContact O-N 3.21Å; Q39-L41 PolarHBondContact O-N 2.82Å; L41-H44 PolarHBondContact O-N 3.44Å; L41-V45 WeakPolarHBondContact O-CG2 3.28Å; L41-V45 PolarHBondContact O-N 3.36Å; L41-V45 VanDerWaalsContact O-N 3.14Å; L41-I59 VanDerWaalsContact C-CD1 3.47Å; L41-I59 HydrophobicContact CB-CD1 3.55Å; L41-L71 HydrophobicContact CB-CD2 4.5Å; L41-L71 HydrophobicContact CD1-CD2 4.24Å; L41-V77 HydrophobicContact CD1-CG1 4.07Å; L41-V77 HydrophobicContact CD1-CG2 3.71Å; L41-V77 HydrophobicContact CG-CG2 4.15Å; L41-M90 HydrophobicContact CD1-SD 3.69Å
42	L	95.6	Very high	93.8	Very high	28 Å²	28	56.9 Å²	56.9	15%	0.147	27%	0.273	C	S	.	.	H	α-helix	trans	-65.2	-46.6	176.8	-177.9	60.8	0	0	0	111.2	G38 Q39 F40 V45 C46 I59 F92	G38-L42 PolarHBondContact O-N 2.77Å; Q39-L42 PolarHBondContact O-N 2.9Å; F40-L42 VanDerWaalsContact C-N 3.35Å; L42-V45 PolarHBondContact O-N 2.9Å; L42-C46 WeakPolarHBondContact O-CB 3.26Å; L42-C46 PolarHBondContact O-N 2.86Å; L42-C46 PolarHBondContact O-SG 3.41Å; L42-I59 HydrophobicContact CB-CD1 4.45Å; L42-F92 HydrophobicContact CD1-CD2 4.37Å; L42-F92 HydrophobicContact CD1-CE2 3.96Å
43	D	96.1	Very high	93.9	Very high	48 Å²	48	57 Å²	57	26%	0.257	27%	0.273	S	S	.	.	H	α-helix	trans	-67.1	-34.6	176.3	-80.2	-50.9	0	0	0	112.7	Q39 F40 C46 N47 K54	Q39-D43 PolarHBondContact NE2-OD2 3.42Å; Q39-D43 PolarHBondContact O-N 2.74Å; F40-D43 PolarHBondContact O-N 3.48Å; D43-C46 PolarHBondContact O-N 2.85Å; D43-N47 WeakPolarHBondContact O-CB 3.3Å; D43-N47 PolarHBondContact O-N 3.42Å; D43-N47 PolarHBondContact O-ND2 2.71Å; D43-N47 PolarHBondContact O-OD1 3.27Å; D43-K54 IonicContact OD1-NZ 3.62Å; D43-K54 PolarHBondContact OD1-NZ 2.71Å
44	H	96	Very high	94.1	Very high	67 Å²	67	54.6 Å²	54.6	31%	0.31	26%	0.261	S	S	.	.	H	α-helix	trans	-58.8	-48.5	173.3	-179.1	71.5	0	0	0	111.8	F40 L41 N47 H48	F40-H44 VanDerWaalsContact O-CB 3.3Å; F40-H44 WeakPolarHBondContact O-CB 3.36Å; F40-H44 PolarHBondContact O-N 3.2Å; L41-H44 PolarHBondContact O-N 3.44Å; H44-N47 PolarHBondContact O-N 2.88Å; H44-H48 WeakPolarHBondContact O-CB 3.25Å; H44-H48 PolarHBondContact O-N 2.96Å
45	V	95.9	Very high	94.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.9	-46.5	175.9	179.3	0	0	0	0	111.8	I20 L22 I28 L41 L42 N47 H48 Y49 I59 F92	I20-V45 HydrophobicContact CB-CG2 4.35Å; I20-V45 HydrophobicContact CD1-CG2 3.59Å; I20-V45 HydrophobicContact CG2-CG2 3.91Å; L22-V45 HydrophobicContact CD2-CG1 3.61Å; L22-V45 HydrophobicContact CD2-CG2 4.21Å; I28-V45 HydrophobicContact CD1-CB 4.4Å; I28-V45 HydrophobicContact CD1-CG2 3.88Å; L41-V45 WeakPolarHBondContact O-CG2 3.28Å; L41-V45 PolarHBondContact O-N 3.36Å; L41-V45 VanDerWaalsContact O-N 3.14Å; L42-V45 PolarHBondContact O-N 2.9Å; V45-N47 VanDerWaalsContact C-N 3.28Å; V45-N47 PolarHBondContact O-N 2.78Å; V45-H48 WeakPolarHBondContact O-CB 3.33Å; V45-H48 PolarHBondContact O-N 3.4Å; V45-Y49 HydrophobicContact CG1-CD2 4.03Å; V45-Y49 HydrophobicContact CG1-CE2 4.21Å; V45-Y49 PolarHBondContact O-N 2.82Å; V45-Y49 VanDerWaalsContact O-N 3.08Å; V45-I59 HydrophobicContact CG2-CD1 4.3Å; V45-F92 HydrophobicContact CB-CD2 4.1Å; V45-F92 HydrophobicContact CB-CE2 4.35Å; V45-F92 HydrophobicContact CB-CG 4.47Å; V45-F92 HydrophobicContact CG1-CB 4.02Å; V45-F92 HydrophobicContact CG1-CD1 3.8Å; V45-F92 HydrophobicContact CG1-CD2 3.52Å; V45-F92 HydrophobicContact CG1-CE1 4.04Å; V45-F92 HydrophobicContact CG1-CE2 3.78Å; V45-F92 HydrophobicContact CG1-CG 3.52Å; V45-F92 HydrophobicContact CG1-CZ 4.02Å; V45-F92 HydrophobicContact CG2-CD2 4.46Å
46	C	94.8	Very high	94.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-67.6	-29.9	-178.1	-65.7	0	0	0	0	112.4	L42 D43 N50 L51 K54	L42-C46 WeakPolarHBondContact O-CB 3.26Å; L42-C46 PolarHBondContact O-N 2.86Å; L42-C46 PolarHBondContact O-SG 3.41Å; D43-C46 PolarHBondContact O-N 2.85Å; C46-N50 PolarHBondContact O-N 2.82Å; C46-N50 VanDerWaalsContact O-N 3.09Å; C46-L51 HydrophobicContact CB-CB 4.37Å; C46-L51 PolarHBondContact O-N 3.44Å; C46-K54 HydrophobicContact CB-CD 3.57Å; C46-K54 VanDerWaalsContact CB-CE 3.44Å; C46-K54 HydrophobicContact CB-CG 3.75Å
47	N	94.3	Very high	94.8	Very high	104 Å²	104	46 Å²	46	56%	0.556	22%	0.222	S	C	*	.	H	α-helix	trans	-76.7	-35.8	174.8	-65.6	-1	0	0	0	111.4	D43 H44 V45 Y49 N50 K54	D43-N47 WeakPolarHBondContact O-CB 3.3Å; D43-N47 PolarHBondContact O-N 3.42Å; D43-N47 PolarHBondContact O-ND2 2.71Å; D43-N47 PolarHBondContact O-OD1 3.27Å; H44-N47 PolarHBondContact O-N 2.88Å; V45-N47 VanDerWaalsContact C-N 3.28Å; V45-N47 PolarHBondContact O-N 2.78Å; N47-Y49 VanDerWaalsContact C-N 3.32Å; N47-Y49 PolarHBondContact O-N 3.04Å; N47-N50 PolarHBondContact O-N 2.91Å; N47-K54 PolarHBondContact OD1-NZ 3.23Å
48	H	92.2	Very high	94.8	Very high	110 Å²	110	40.4 Å²	40.4	51%	0.509	20%	0.199	S	C	.	.	H	α-helix	trans	-57.6	-43.5	171	170.6	80.3	0	0	0	111.9	I28 H44 V45 N50	I28-H48 HydrophobicContact CD1-CB 4.28Å; H44-H48 WeakPolarHBondContact O-CB 3.25Å; H44-H48 PolarHBondContact O-N 2.96Å; V45-H48 WeakPolarHBondContact O-CB 3.33Å; V45-H48 PolarHBondContact O-N 3.4Å; H48-N50 VanDerWaalsContact C-N 3.33Å
49	Y	90.8	Very high	94.9	Very high	27 Å²	27	40.6 Å²	40.6	11%	0.106	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-7.8	173.2	-80.3	-57	0	0	0	114.6	L22 D24 V45 N47 L51 F92 L108 L112	L22-Y49 HydrophobicContact CB-CE2 4.37Å; L22-Y49 WeakPolarHBondContact CB-OH 3.19Å; L22-Y49 HydrophobicContact CD1-CE2 3.95Å; L22-Y49 HydrophobicContact CD2-CE2 4.33Å; L22-Y49 HydrophobicContact CG-CE2 4.47Å; D24-Y49 PolarHBondContact OD2-OH 3.35Å; V45-Y49 HydrophobicContact CG1-CD2 4.03Å; V45-Y49 HydrophobicContact CG1-CE2 4.21Å; V45-Y49 PolarHBondContact O-N 2.82Å; V45-Y49 VanDerWaalsContact O-N 3.08Å; N47-Y49 VanDerWaalsContact C-N 3.32Å; N47-Y49 PolarHBondContact O-N 3.04Å; Y49-L51 VanDerWaalsContact C-N 3.28Å; Y49-L51 PolarHBondContact O-N 3.23Å; Y49-F92 HydrophobicContact CD2-CE1 4.2Å; Y49-F92 HydrophobicContact CE2-CD1 4.12Å; Y49-F92 HydrophobicContact CE2-CE1 4Å; Y49-L108 HydrophobicContact CD1-CD1 4.42Å; Y49-L108 WeakPolarHBondContact O-CD2 3.49Å; Y49-L112 HydrophobicContact CD1-CD2 4.41Å; Y49-L112 HydrophobicContact CD2-CD1 4.41Å; Y49-L112 HydrophobicContact CD2-CD2 4.48Å; Y49-L112 HydrophobicContact CE1-CD2 3.92Å; Y49-L112 HydrophobicContact CE2-CD2 3.97Å; Y49-L112 HydrophobicContact CG-CD1 4.49Å
50	N	92.2	Very high	94.7	Very high	91 Å²	91	39.4 Å²	39.4	49%	0.487	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	42.7	-169.5	-169.8	6.5	0	0	0	113	C46 N47 H48 R336	C46-N50 PolarHBondContact O-N 2.82Å; C46-N50 VanDerWaalsContact O-N 3.09Å; N47-N50 PolarHBondContact O-N 2.91Å; H48-N50 VanDerWaalsContact C-N 3.33Å; N50-R336 VanDerWaalsContact CG-NH1 3.32Å; N50-R336 PolarHBondContact ND2-NH1 3.08Å; N50-R336 PolarHBondContact O-NH1 2.85Å; N50-R336 PolarHBondContact O-NH2 2.92Å; N50-R336 PolarHBondContact OD1-NH1 2.88Å
51	L	93.3	Very high	94.4	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	17%	0.174	C	C	.	.			trans	-90.8	127.6	-172.6	177.4	66.6	0	0	0	112.6	C46 Y49 K54 F57 F92 L108 T109 L112	C46-L51 HydrophobicContact CB-CB 4.37Å; C46-L51 PolarHBondContact O-N 3.44Å; Y49-L51 VanDerWaalsContact C-N 3.28Å; Y49-L51 PolarHBondContact O-N 3.23Å; L51-K54 WeakPolarHBondContact O-CE 3.47Å; L51-K54 VanDerWaalsContact O-CG 3.25Å; L51-K54 WeakPolarHBondContact O-CG 3.36Å; L51-F57 HydrophobicContact CD1-CE2 4.26Å; L51-F57 HydrophobicContact CD2-CD2 3.68Å; L51-F57 HydrophobicContact CD2-CE2 3.73Å; L51-F57 HydrophobicContact CD2-CG 4.37Å; L51-F57 HydrophobicContact CD2-CZ 4.47Å; L51-F92 HydrophobicContact CD2-CZ 4.18Å; L51-L108 HydrophobicContact CB-CD2 4.22Å; L51-L108 HydrophobicContact CD1-CD2 4.12Å; L51-L108 HydrophobicContact CD1-CG 4.39Å; L51-T109 WeakPolarHBondContact CD1-OG1 3.45Å; L51-L112 HydrophobicContact CD1-CD1 4.24Å; L51-L112 HydrophobicContact CD2-CD1 4.2Å
52	L	92.9	Very high	93.9	Very high	81 Å²	81	39.4 Å²	39.4	42%	0.424	20%	0.198	S	C	.	.	S	Bend	trans	-94.6	-36.5	176.4	-56.8	179.8	0	0	0	113.2	K54 E106 I334 R336	L52-K54 PolarHBondContact O-N 3.47Å; L52-E106 WeakPolarHBondContact CB-OE2 3.5Å; L52-E106 PolarHBondContact N-OE2 3.39Å; L52-E106 VanDerWaalsContact N-OE2 3.07Å; L52-I334 HydrophobicContact CB-CD1 4.02Å; L52-I334 HydrophobicContact CD1-CD1 4.16Å; L52-I334 HydrophobicContact CD1-CG1 4.15Å; L52-I334 HydrophobicContact CD1-CG2 3.83Å; L52-R336 HydrophobicContact CD1-CG 4.43Å
53	E	94.1	Very high	93.3	Very high	5 Å²	5	39.1 Å²	39.1	2%	0.023	20%	0.196	C	C	.	.			trans	-79	43.1	-179.3	-63.4	174.7	111.6	0	0	112.8	D55 Y56 I104 K105 E106 T109 S331 I334	E53-D55 PolarHBondContact O-N 2.92Å; E53-D55 VanDerWaalsContact O-N 3.11Å; E53-Y56 HydrophobicContact CB-CD2 4.11Å; E53-Y56 HydrophobicContact CB-CE2 4.3Å; E53-Y56 PolarHBondContact O-N 3.36Å; E53-I104 VanDerWaalsContact OE2-CG2 3.28Å; E53-I104 WeakPolarHBondContact OE2-CG2 3.34Å; E53-K105 PolarHBondContact OE1-N 3Å; E53-E106 HydrophobicContact CG-CG 4.27Å; E53-E106 VanDerWaalsContact OE2-CB 3.28Å; E53-E106 WeakPolarHBondContact OE2-CB 3.36Å; E53-E106 WeakPolarHBondContact OE2-CG 3.23Å; E53-E106 PolarHBondContact OE2-N 3.38Å; E53-T109 HydrophobicContact CB-CG2 3.96Å; E53-T109 WeakPolarHBondContact OE2-CB 3.42Å; E53-T109 PolarHBondContact OE2-OG1 3.38Å; E53-S331 VanDerWaalsContact OE1-CB 3.28Å; E53-S331 WeakPolarHBondContact OE1-CB 3.39Å; E53-S331 PolarHBondContact OE1-OG 2.9Å; E53-I334 HydrophobicContact CG-CD1 3.91Å
54	K	94.9	Very high	92.6	Very high	49 Å²	49	40.7 Å²	40.7	21%	0.213	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-54	-32.9	-172.6	-57.1	-171.7	176.5	-171.3	0	113.9	D43 C46 N47 L51 L52 Y56 F57	D43-K54 IonicContact OD1-NZ 3.62Å; D43-K54 PolarHBondContact OD1-NZ 2.71Å; C46-K54 HydrophobicContact CB-CD 3.57Å; C46-K54 VanDerWaalsContact CB-CE 3.44Å; C46-K54 HydrophobicContact CB-CG 3.75Å; N47-K54 PolarHBondContact OD1-NZ 3.23Å; L51-K54 WeakPolarHBondContact O-CE 3.47Å; L51-K54 VanDerWaalsContact O-CG 3.25Å; L51-K54 WeakPolarHBondContact O-CG 3.36Å; L52-K54 PolarHBondContact O-N 3.47Å; K54-Y56 PolarHBondContact O-N 2.79Å; K54-Y56 VanDerWaalsContact O-N 3.15Å; K54-F57 PolarHBondContact O-N 2.8Å; K54-F57 VanDerWaalsContact O-N 3.08Å
55	D	95.1	Very high	91.6	Very high	33 Å²	33	43.5 Å²	43.5	18%	0.176	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-62	-19.7	-173.2	-66.7	-91.2	0	0	0	114.8	E53 F57 F96 K322 V327	E53-D55 PolarHBondContact O-N 2.92Å; E53-D55 VanDerWaalsContact O-N 3.11Å; D55-F57 VanDerWaalsContact C-N 3.3Å; D55-F96 WeakPolarHBondContact O-CD2 3.48Å; D55-K322 WeakPolarHBondContact OD1-CB 3.45Å; D55-K322 WeakPolarHBondContact OD1-CG 3.28Å; D55-K322 PolarHBondContact OD1-N 3.15Å; D55-K322 IonicContact OD2-NZ 3.95Å; D55-K322 PolarHBondContact OD2-NZ 2.84Å; D55-V327 HydrophobicContact CB-CG1 4.23Å; D55-V327 HydrophobicContact CB-CG2 3.42Å; D55-V327 VanDerWaalsContact CB-CG2 3.42Å
56	Y	96.6	Very high	90.8	Very high	10 Å²	10	52 Å²	52	4%	0.039	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-74.6	-17.9	175.2	-68.2	-63.1	0	0	0	113.7	E53 K54 K95 F96 P98 I104 T109 F293 V327	E53-Y56 HydrophobicContact CB-CD2 4.11Å; E53-Y56 HydrophobicContact CB-CE2 4.3Å; E53-Y56 PolarHBondContact O-N 3.36Å; K54-Y56 PolarHBondContact O-N 2.79Å; K54-Y56 VanDerWaalsContact O-N 3.15Å; Y56-K95 PolarHBondContact O-N 3.48Å; Y56-F96 WeakPolarHBondContact CD1-O 3.45Å; Y56-F96 PolarHBondContact O-N 2.98Å; Y56-P98 HydrophobicContact CE1-CB 4.23Å; Y56-I104 HydrophobicContact CE2-CG1 4.28Å; Y56-T109 HydrophobicContact CD2-CG2 4.14Å; Y56-F293 HydrophobicContact CD1-CZ 4.11Å; Y56-F293 HydrophobicContact CE1-CZ 4.08Å; Y56-V327 HydrophobicContact CD2-CG1 4.2Å; Y56-V327 HydrophobicContact CE1-CG1 4.21Å; Y56-V327 HydrophobicContact CE2-CG1 3.6Å
57	F	97.4	Very high	90	Very high	10 Å²	10	55.5 Å²	55.5	4%	0.044	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	168.1	-167.4	-59	-90.5	0	0	0	113	L23 L51 K54 D55 F92 V94 T109 L112	L23-F57 HydrophobicContact CD1-CD1 4.03Å; L23-F57 HydrophobicContact CD1-CE1 3.78Å; L51-F57 HydrophobicContact CD1-CE2 4.26Å; L51-F57 HydrophobicContact CD2-CD2 3.68Å; L51-F57 HydrophobicContact CD2-CE2 3.73Å; L51-F57 HydrophobicContact CD2-CG 4.37Å; L51-F57 HydrophobicContact CD2-CZ 4.47Å; K54-F57 PolarHBondContact O-N 2.8Å; K54-F57 VanDerWaalsContact O-N 3.08Å; D55-F57 VanDerWaalsContact C-N 3.3Å; F57-F92 HydrophobicContact CB-CD2 4.46Å; F57-F92 HydrophobicContact CB-CE1 4.32Å; F57-F92 HydrophobicContact CB-CE2 3.51Å; F57-F92 HydrophobicContact CB-CZ 3.43Å; F57-F92 VanDerWaalsContact CB-CZ 3.43Å; F57-F92 AromaticContact CD1-CE1 3.76Å; F57-F92 HydrophobicContact CD1-CE1 3.76Å; F57-F92 HydrophobicContact CD1-CE2 4.48Å; F57-F92 AromaticContact CD1-CZ 3.66Å; F57-F92 HydrophobicContact CD1-CZ 3.66Å; F57-F92 HydrophobicContact CD2-CZ 4.33Å; F57-F92 HydrophobicContact CE1-CE1 4.37Å; F57-F92 HydrophobicContact CG-CE1 4.15Å; F57-F92 HydrophobicContact CG-CE2 4.18Å; F57-F92 AromaticContact CG-CZ 3.55Å; F57-F92 HydrophobicContact CG-CZ 3.55Å; F57-V94 HydrophobicContact CD1-CG2 4.04Å; F57-V94 HydrophobicContact CE1-CG2 3.73Å; F57-T109 HydrophobicContact CE2-CG2 3.89Å; F57-T109 HydrophobicContact CZ-CG2 4.06Å; F57-L112 HydrophobicContact CE1-CB 3.76Å; F57-L112 HydrophobicContact CE1-CD1 4.26Å; F57-L112 HydrophobicContact CZ-CB 3.76Å; F57-L112 HydrophobicContact CZ-CD1 4.02Å
58	G	96.4	Very high	89.6	Confident	6 Å²	6	54.4 Å²	54.4	6%	0.062	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	164.5	172.7	0	0	0	0	0	112.3	R93	G58-R93 PolarHBondContact N-O 3.38Å; G58-R93 PolarHBondContact O-N 3.02Å; G58-R93 VanDerWaalsContact O-O 3.09Å
59	I	95.9	Very high	89.4	Confident	6 Å²	6	50.8 Å²	50.8	3%	0.031	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	130.6	170	-62.5	172.6	0	0	0	108.2	I20 L41 L42 V45 L71 M90 C91 F92	I20-I59 HydrophobicContact CD1-CD1 3.93Å; L41-I59 VanDerWaalsContact C-CD1 3.47Å; L41-I59 HydrophobicContact CB-CD1 3.55Å; L42-I59 HydrophobicContact CB-CD1 4.45Å; V45-I59 HydrophobicContact CG2-CD1 4.3Å; I59-L71 HydrophobicContact CB-CB 4.2Å; I59-L71 HydrophobicContact CB-CD2 4.07Å; I59-L71 HydrophobicContact CD1-CD2 4.37Å; I59-L71 HydrophobicContact CG2-CB 4.43Å; I59-L71 HydrophobicContact CG2-CD2 4.1Å; I59-L71 WeakPolarHBondContact O-CB 3.2Å; I59-L71 PolarHBondContact O-N 3.13Å; I59-M90 HydrophobicContact CG2-CB 3.65Å; I59-M90 HydrophobicContact CG2-CE 3.84Å; I59-M90 HydrophobicContact CG2-CG 4.41Å; I59-M90 HydrophobicContact CG2-SD 4Å; I59-C91 WeakPolarHBondContact CA-O 3.49Å; I59-F92 HydrophobicContact CG1-CD2 4.32Å
60	R	92.8	Very high	89.5	Confident	44 Å²	44	51.4 Å²	51.4	17%	0.166	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	150.8	170.8	71.4	179.2	-167.8	-163.9	0.1	111.2	H69 W70 C91 R93	R60-H69 CarbonylContact C-O 3.6Å; R60-H69 WeakPolarHBondContact CA-O 3.23Å; R60-H69 WeakPolarHBondContact CB-O 3.35Å; R60-W70 HydrophobicContact CB-CD2 4.39Å; R60-W70 HydrophobicContact CB-CE3 3.91Å; R60-W70 HydrophobicContact CB-CZ3 4.01Å; R60-C91 HydrophobicContact CG-CB 3.98Å; R60-C91 PolarHBondContact N-O 2.76Å; R60-C91 PolarHBondContact O-N 3.34Å; R60-R93 HydrophobicContact CG-CG 4.42Å
61	Y	90.1	Very high	89.5	Confident	24 Å²	24	47.7 Å²	47.7	9%	0.094	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	172.8	171.7	67.4	-80.4	0	0	0	110.1	R68 H69 L71 Q80 M81 M90	Y61-R68 WeakPolarHBondContact O-CA 3.08Å; Y61-H69 HydrophobicContact CD1-CB 4.05Å; Y61-H69 WeakPolarHBondContact CD1-O 3.2Å; Y61-H69 HydrophobicContact CE1-CB 3.55Å; Y61-H69 HydrophobicContact CE2-CB 4.14Å; Y61-H69 PolarHBondContact N-O 3.07Å; Y61-H69 PolarHBondContact O-N 3.47Å; Y61-L71 HydrophobicContact CE1-CD1 4.41Å; Y61-Q80 PolarHBondContact OH-O 3.48Å; Y61-M81 HydrophobicContact CD1-SD 4.21Å; Y61-M81 HydrophobicContact CD2-CE 4.26Å; Y61-M81 HydrophobicContact CD2-SD 3.49Å; Y61-M81 WeakPolarHBondContact CD2-SD 3.01Å; Y61-M81 HydrophobicContact CE2-SD 4Å; Y61-M81 HydrophobicContact CG-CE 4.47Å; Y61-M81 HydrophobicContact CG-SD 3.59Å; Y61-M81 VanDerWaalsContact CG-SD 3.59Å; Y61-M90 HydrophobicContact CD1-CE 4.17Å; Y61-M90 HydrophobicContact CG-CE 4.33Å
62	V	85.7	Confident	89.5	Confident	83 Å²	83	49.5 Å²	49.5	50%	0.503	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	132.2	174.5	-176.7	0	0	0	0	107.8	Q67 R68	V62-Q67 WeakPolarHBondContact CA-O 3.26Å; V62-R68 HydrophobicContact CG2-CG 4.46Å
63	D	81.5	Confident	89.5	Confident	21 Å²	21	47.1 Å²	47.1	11%	0.112	23%	0.227	C	C	.	.			trans	-83	167.5	175.8	71.6	5.5	0	0	0	112	E65 K66 Q67 H69	D63-E65 PolarHBondContact O-N 3.05Å; D63-E65 VanDerWaalsContact O-N 3.16Å; D63-E65 VanDerWaalsContact OD1-C 3.22Å; D63-E65 WeakPolarHBondContact OD1-CA 3.46Å; D63-E65 WeakPolarHBondContact OD1-CB 3.45Å; D63-E65 PolarHBondContact OD1-N 3.43Å; D63-K66 WeakPolarHBondContact O-CA 3.43Å; D63-K66 PolarHBondContact O-N 3.4Å; D63-K66 PolarHBondContact OD1-N 3.12Å; D63-K66 VanDerWaalsContact OD1-N 3.1Å; D63-Q67 PolarHBondContact N-O 3.03Å; D63-Q67 WeakPolarHBondContact OD1-CA 3.32Å; D63-Q67 WeakPolarHBondContact OD1-CB 3.43Å; D63-Q67 PolarHBondContact OD1-N 3.3Å; D63-H69 IonicContact OD2-CD2 3.37Å; D63-H69 PolarHBondContact OD2-CD2 3.28Å; D63-H69 IonicContact OD2-CE1 3.2Å; D63-H69 IonicContact OD2-NE2 4Å; D63-H69 PolarHBondContact OD2-NE2 3.34Å
64	P	80.9	Confident	89.4	Confident	82 Å²	82	51.8 Å²	51.8	53%	0.532	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-29.2	176.2	-27.7	37.4	0	0	0	113.6	K66	P64-K66 PolarHBondContact O-N 2.89Å
65	E	76.9	Confident	89.3	Confident	125 Å²	125	53.9 Å²	53.9	58%	0.584	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	10.5	174.1	-58.3	83.9	172.3	0	0	114.1	D63 Q67	D63-E65 PolarHBondContact O-N 3.05Å; D63-E65 VanDerWaalsContact O-N 3.16Å; D63-E65 VanDerWaalsContact OD1-C 3.22Å; D63-E65 WeakPolarHBondContact OD1-CA 3.46Å; D63-E65 WeakPolarHBondContact OD1-CB 3.45Å; D63-E65 PolarHBondContact OD1-N 3.43Å; E65-Q67 HydrophobicContact CB-CG 4.35Å; E65-Q67 PolarHBondContact O-N 3.39Å; E65-Q67 PolarHBondContact O-NE2 2.92Å
66	K	77.9	Confident	89.2	Confident	178 Å²	178	53.6 Å²	53.6	77%	0.774	26%	0.261	S	S	*	.	S	Bend	trans	61.1	16.6	178.4	-58.3	-179.4	-179.4	178	0	114.8	D63 P64	D63-K66 WeakPolarHBondContact O-CA 3.43Å; D63-K66 PolarHBondContact O-N 3.4Å; D63-K66 PolarHBondContact OD1-N 3.12Å; D63-K66 VanDerWaalsContact OD1-N 3.1Å; P64-K66 PolarHBondContact O-N 2.89Å
67	Q	79	Confident	89	Confident	74 Å²	74	53.1 Å²	53.1	35%	0.346	26%	0.259	S	S	.	.			trans	-82.9	141.9	173.5	-50.5	-54	-69.4	0	0	110.2	V62 D63 E65 H69	V62-Q67 WeakPolarHBondContact CA-O 3.26Å; D63-Q67 PolarHBondContact N-O 3.03Å; D63-Q67 WeakPolarHBondContact OD1-CA 3.32Å; D63-Q67 WeakPolarHBondContact OD1-CB 3.43Å; D63-Q67 PolarHBondContact OD1-N 3.3Å; E65-Q67 HydrophobicContact CB-CG 4.35Å; E65-Q67 PolarHBondContact O-N 3.39Å; E65-Q67 PolarHBondContact O-NE2 2.92Å; Q67-H69 PolarHBondContact O-CD2 2.82Å
68	R	85.8	Confident	88.7	Confident	82 Å²	82	54.5 Å²	54.5	31%	0.309	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	131.6	176.3	-60.5	173.6	-173.4	155.3	3.1	109.1	Y61 V62 D209 H282	Y61-R68 WeakPolarHBondContact O-CA 3.08Å; V62-R68 HydrophobicContact CG2-CG 4.46Å; R68-D209 IonicContact NH1-OD1 2.62Å; R68-H282 PolarHBondContact O-CE1 3.3Å
69	H	87.8	Confident	88.4	Confident	33 Å²	33	60.2 Å²	60.2	15%	0.153	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	140.6	175.6	-65.4	-82.8	0	0	0	111.6	R60 Y61 D63 Q67 H282	R60-H69 CarbonylContact C-O 3.6Å; R60-H69 WeakPolarHBondContact CA-O 3.23Å; R60-H69 WeakPolarHBondContact CB-O 3.35Å; Y61-H69 HydrophobicContact CD1-CB 4.05Å; Y61-H69 WeakPolarHBondContact CD1-O 3.2Å; Y61-H69 HydrophobicContact CE1-CB 3.55Å; Y61-H69 HydrophobicContact CE2-CB 4.14Å; Y61-H69 PolarHBondContact N-O 3.07Å; Y61-H69 PolarHBondContact O-N 3.47Å; D63-H69 IonicContact OD2-CD2 3.37Å; D63-H69 PolarHBondContact OD2-CD2 3.28Å; D63-H69 IonicContact OD2-CE1 3.2Å; D63-H69 IonicContact OD2-NE2 4Å; D63-H69 PolarHBondContact OD2-NE2 3.34Å; Q67-H69 PolarHBondContact O-CD2 2.82Å; H69-H282 AromaticContact CE1-ND1 3.63Å; H69-H282 AromaticContact CG-ND1 3.94Å; H69-H282 AromaticContact ND1-CE1 3.88Å; H69-H282 AromaticContact ND1-CG 3.94Å; H69-H282 AromaticContact ND1-ND1 3.02Å; H69-H282 PolarHBondContact ND1-ND1 2.85Å
70	W	92.2	Very high	88.1	Confident	41 Å²	41	60.6 Å²	60.6	16%	0.155	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	134.9	164.2	-65.4	107.3	0	0	0	109.6	R60 E72 R93 V94 K95	R60-W70 HydrophobicContact CB-CD2 4.39Å; R60-W70 HydrophobicContact CB-CE3 3.91Å; R60-W70 HydrophobicContact CB-CZ3 4.01Å; W70-E72 PolarHBondContact O-N 2.72Å; W70-R93 HydrophobicContact CH2-CB 4.21Å; W70-R93 HydrophobicContact CZ3-CB 4.47Å; W70-V94 WeakPolarHBondContact CH2-O 3.43Å; W70-K95 HydrophobicContact CD2-CB 4.49Å; W70-K95 HydrophobicContact CD2-CD 3.97Å; W70-K95 HydrophobicContact CD2-CG 3.96Å; W70-K95 HydrophobicContact CE3-CB 4.23Å; W70-K95 HydrophobicContact CE3-CD 4.1Å; W70-K95 HydrophobicContact CE3-CG 4.14Å; W70-K95 HydrophobicContact CG-CD 4.23Å; W70-K95 HydrophobicContact CH2-CB 3.82Å; W70-K95 HydrophobicContact CH2-CG 4.2Å; W70-K95 HydrophobicContact CZ2-CB 4.1Å; W70-K95 HydrophobicContact CZ2-CG 4.02Å; W70-K95 HydrophobicContact CZ3-CB 3.88Å; W70-K95 HydrophobicContact CZ3-CG 4.25Å
71	L	93.3	Very high	87.8	Confident	13 Å²	13	58.8 Å²	58.8	7%	0.068	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-66.1	122.2	173.3	-170.2	63	0	0	0	109.5	L41 I59 Y61 P73 V77 Q80 M90	L41-L71 HydrophobicContact CB-CD2 4.5Å; L41-L71 HydrophobicContact CD1-CD2 4.24Å; I59-L71 HydrophobicContact CB-CB 4.2Å; I59-L71 HydrophobicContact CB-CD2 4.07Å; I59-L71 HydrophobicContact CD1-CD2 4.37Å; I59-L71 HydrophobicContact CG2-CB 4.43Å; I59-L71 HydrophobicContact CG2-CD2 4.1Å; I59-L71 WeakPolarHBondContact O-CB 3.2Å; I59-L71 PolarHBondContact O-N 3.13Å; Y61-L71 HydrophobicContact CE1-CD1 4.41Å; L71-P73 WeakPolarHBondContact O-CD 3.46Å; L71-V77 HydrophobicContact CD1-CG2 4.48Å; L71-V77 HydrophobicContact CD2-CG2 4.4Å; L71-Q80 HydrophobicContact CD1-CB 4.34Å; L71-M90 HydrophobicContact CB-CE 4.46Å; L71-M90 HydrophobicContact CD1-CE 3.77Å; L71-M90 HydrophobicContact CD2-CE 3.84Å; L71-M90 HydrophobicContact CG-CE 4.24Å
72	E	92.1	Very high	86.9	Confident	40 Å²	40	64.3 Å²	64.3	19%	0.187	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-77.3	118.8	174.7	-59.2	-175.1	-124.9	0	0	108.9	W70 N74 K75 Q80 K285	W70-E72 PolarHBondContact O-N 2.72Å; E72-N74 VanDerWaalsContact C-N 3.3Å; E72-N74 PolarHBondContact O-N 2.8Å; E72-K75 HydrophobicContact CB-CB 4.4Å; E72-K75 HydrophobicContact CB-CD 4.05Å; E72-K75 HydrophobicContact CB-CG 4.45Å; E72-K75 HydrophobicContact CG-CD 4.44Å; E72-K75 PolarHBondContact O-N 3.05Å; E72-K75 IonicContact OE1-NZ 3.31Å; E72-K75 PolarHBondContact OE1-NZ 2.89Å; E72-K75 WeakPolarHBondContact OE2-CE 3.5Å; E72-K75 IonicContact OE2-NZ 3.64Å; E72-K75 PolarHBondContact OE2-NZ 2.88Å; E72-Q80 VanDerWaalsContact CB-OE1 3.25Å; E72-Q80 PolarHBondContact O-NE2 2.86Å; E72-K285 IonicContact OE1-NZ 2.81Å; E72-K285 PolarHBondContact OE1-NZ 2.96Å; E72-K285 IonicContact OE2-NZ 2.67Å
73	P	92.8	Very high	85.7	Confident	31 Å²	31	66 Å²	66	20%	0.201	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-34.7	-170.4	21.3	-32.2	0	0	0	112.9	G38 Q39 L71 K75	G38-P73 PolarHBondContact N-O 3.44Å; Q39-P73 HydrophobicContact CB-CB 3.98Å; Q39-P73 PolarHBondContact N-O 3.43Å; L71-P73 WeakPolarHBondContact O-CD 3.46Å; P73-K75 PolarHBondContact O-N 3.46Å
74	N	91.4	Very high	84.9	Confident	103 Å²	103	66.1 Å²	66.1	55%	0.551	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	1.3	-176.6	-65.8	-40.8	0	0	0	114.7	E72 S320	E72-N74 VanDerWaalsContact C-N 3.3Å; E72-N74 PolarHBondContact O-N 2.8Å; N74-S320 WeakPolarHBondContact ND2-CB 3.47Å; N74-S320 PolarHBondContact ND2-OG 3.05Å
75	K	92.8	Very high	83.9	Confident	92 Å²	92	69.8 Å²	69.8	40%	0.4	35%	0.345	S	S	.	.	S	Bend	trans	-118.4	146.8	-175.1	-75.6	175.2	179.8	163.6	0	112.1	K37 G38 E72 P73 Q80	K37-K75 CarbonylContact C-O 3.6Å; K37-K75 WeakPolarHBondContact CA-O 3.34Å; G38-K75 PolarHBondContact N-O 3.46Å; E72-K75 HydrophobicContact CB-CB 4.4Å; E72-K75 HydrophobicContact CB-CD 4.05Å; E72-K75 HydrophobicContact CB-CG 4.45Å; E72-K75 HydrophobicContact CG-CD 4.44Å; E72-K75 PolarHBondContact O-N 3.05Å; E72-K75 IonicContact OE1-NZ 3.31Å; E72-K75 PolarHBondContact OE1-NZ 2.89Å; E72-K75 WeakPolarHBondContact OE2-CE 3.5Å; E72-K75 IonicContact OE2-NZ 3.64Å; E72-K75 PolarHBondContact OE2-NZ 2.88Å; P73-K75 PolarHBondContact O-N 3.46Å; K75-Q80 HydrophobicContact CB-CG 4.12Å; K75-Q80 PolarHBondContact O-NE2 3.47Å
76	P	93.5	Very high	83.4	Confident	27 Å²	27	69 Å²	69	18%	0.175	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-58.4	136.8	173.8	-26.5	36.9	0	0	0	112.4	T36 K79 Q80	T36-P76 CarbonylContact O-C 3.58Å; T36-P76 VanDerWaalsContact O-CA 3.24Å; T36-P76 WeakPolarHBondContact O-CA 3.46Å; P76-K79 HydrophobicContact CB-CB 4.34Å; P76-K79 HydrophobicContact CB-CD 4.02Å; P76-K79 HydrophobicContact CB-CG 4.17Å; P76-K79 HydrophobicContact CG-CD 3.99Å; P76-K79 PolarHBondContact O-N 3.32Å; P76-Q80 WeakPolarHBondContact O-CG 3.42Å; P76-Q80 PolarHBondContact O-N 3.1Å
77	V	92.8	Very high	83.3	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.326	C	S	.	.	S	Bend	trans	-62.8	-48	-175.4	177.3	0	0	0	0	111	I32 T36 L41 L71 K79 Q80 M81 F88 M90	I32-V77 HydrophobicContact CD1-CB 3.61Å; I32-V77 HydrophobicContact CD1-CG1 3.8Å; I32-V77 HydrophobicContact CD1-CG2 4.11Å; T36-V77 PolarHBondContact O-N 3.4Å; L41-V77 HydrophobicContact CD1-CG1 4.07Å; L41-V77 HydrophobicContact CD1-CG2 3.71Å; L41-V77 HydrophobicContact CG-CG2 4.15Å; L71-V77 HydrophobicContact CD1-CG2 4.48Å; L71-V77 HydrophobicContact CD2-CG2 4.4Å; V77-K79 PolarHBondContact O-N 2.94Å; V77-K79 VanDerWaalsContact O-N 3.17Å; V77-Q80 WeakPolarHBondContact O-CA 3.36Å; V77-Q80 WeakPolarHBondContact O-CB 3.4Å; V77-Q80 PolarHBondContact O-N 2.72Å; V77-M81 HydrophobicContact CG1-CG 3.97Å; V77-M81 WeakPolarHBondContact O-CG 3.33Å; V77-M81 PolarHBondContact O-N 3.09Å; V77-F88 HydrophobicContact CG1-CD2 4.32Å; V77-M90 HydrophobicContact CG1-CE 4.47Å; V77-M90 HydrophobicContact CG1-SD 4.46Å
78	V	90.7	Very high	83.7	Confident	39 Å²	39	60.5 Å²	60.5	24%	0.236	31%	0.31	C	S	.	.	H	α-helix	trans	-57.7	-34.4	-179.5	-173.6	0	0	0	0	112.2	V16 I32 Q80 F88	V16-V78 HydrophobicContact CG2-CG2 4.16Å; I32-V78 HydrophobicContact CD1-CG2 4.37Å; V78-Q80 VanDerWaalsContact C-N 3.27Å; V78-Q80 PolarHBondContact O-N 3.15Å; V78-F88 HydrophobicContact CB-CE2 4.46Å; V78-F88 HydrophobicContact CG2-CE2 4.14Å
79	K	90	Very high	83.8	Confident	127 Å²	127	60.6 Å²	60.6	55%	0.552	32%	0.32	S	S	*	.	H	α-helix	trans	-74.9	-13.6	177.3	-63	177.1	-169.3	164.3	0	113.4	E35 P76 V77	E35-K79 WeakPolarHBondContact OE1-CE 3.28Å; E35-K79 IonicContact OE1-NZ 3.98Å; E35-K79 PolarHBondContact OE1-NZ 2.83Å; P76-K79 HydrophobicContact CB-CB 4.34Å; P76-K79 HydrophobicContact CB-CD 4.02Å; P76-K79 HydrophobicContact CB-CG 4.17Å; P76-K79 HydrophobicContact CG-CD 3.99Å; P76-K79 PolarHBondContact O-N 3.32Å; V77-K79 PolarHBondContact O-N 2.94Å; V77-K79 VanDerWaalsContact O-N 3.17Å
80	Q	90.4	Very high	84.1	Confident	13 Å²	13	59 Å²	59	6%	0.061	31%	0.313	C	S	.	.	H	α-helix	trans	-98	-33.8	177.1	-65.3	-176.1	85.2	0	0	112.6	Y61 L71 E72 K75 P76 V77 V78 K82	Y61-Q80 PolarHBondContact OH-O 3.48Å; L71-Q80 HydrophobicContact CD1-CB 4.34Å; E72-Q80 VanDerWaalsContact CB-OE1 3.25Å; E72-Q80 PolarHBondContact O-NE2 2.86Å; K75-Q80 HydrophobicContact CB-CG 4.12Å; K75-Q80 PolarHBondContact O-NE2 3.47Å; P76-Q80 WeakPolarHBondContact O-CG 3.42Å; P76-Q80 PolarHBondContact O-N 3.1Å; V77-Q80 WeakPolarHBondContact O-CA 3.36Å; V77-Q80 WeakPolarHBondContact O-CB 3.4Å; V77-Q80 PolarHBondContact O-N 2.72Å; V78-Q80 VanDerWaalsContact C-N 3.27Å; V78-Q80 PolarHBondContact O-N 3.15Å; Q80-K82 VanDerWaalsContact C-N 3.28Å; Q80-K82 PolarHBondContact O-N 3.27Å
81	M	85.9	Confident	84.2	Confident	7 Å²	7	58.6 Å²	58.6	3%	0.034	32%	0.316	C	S	.	.	H	α-helix	trans	-74.6	-9.3	180	-64.8	-60.5	-71	0	0	114.6	Y61 V77 S83 A84 F88 M90	Y61-M81 HydrophobicContact CD1-SD 4.21Å; Y61-M81 HydrophobicContact CD2-CE 4.26Å; Y61-M81 HydrophobicContact CD2-SD 3.49Å; Y61-M81 WeakPolarHBondContact CD2-SD 3.01Å; Y61-M81 HydrophobicContact CE2-SD 4Å; Y61-M81 HydrophobicContact CG-CE 4.47Å; Y61-M81 HydrophobicContact CG-SD 3.59Å; Y61-M81 VanDerWaalsContact CG-SD 3.59Å; V77-M81 HydrophobicContact CG1-CG 3.97Å; V77-M81 WeakPolarHBondContact O-CG 3.33Å; V77-M81 PolarHBondContact O-N 3.09Å; M81-S83 PolarHBondContact O-N 3.32Å; M81-A84 HydrophobicContact CE-CB 4.34Å; M81-A84 VanDerWaalsContact O-CB 3.27Å; M81-A84 WeakPolarHBondContact O-CB 3.43Å; M81-A84 PolarHBondContact O-N 2.9Å; M81-F88 HydrophobicContact CB-CD1 4.26Å; M81-F88 HydrophobicContact CB-CD2 4.08Å; M81-F88 HydrophobicContact CB-CE1 3.81Å; M81-F88 HydrophobicContact CB-CE2 3.61Å; M81-F88 HydrophobicContact CB-CG 4.38Å; M81-F88 HydrophobicContact CB-CZ 3.48Å; M81-F88 VanDerWaalsContact CB-CZ 3.48Å; M81-F88 HydrophobicContact CE-CB 4.05Å; M81-F88 HydrophobicContact CE-CD1 4.07Å; M81-F88 HydrophobicContact CE-CD2 4.5Å; M81-F88 HydrophobicContact CE-CG 3.97Å; M81-F88 HydrophobicContact CG-CD1 4.41Å; M81-F88 HydrophobicContact CG-CD2 3.67Å; M81-F88 HydrophobicContact CG-CE1 4.39Å; M81-F88 HydrophobicContact CG-CE2 3.66Å; M81-F88 HydrophobicContact CG-CG 4.07Å; M81-F88 HydrophobicContact CG-CZ 4.04Å; M81-M90 HydrophobicContact SD-CE 3.8Å
82	K	70.8	Confident	84.4	Confident	139 Å²	139	58 Å²	58	60%	0.604	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	38.2	67	165.8	-66.5	177.8	177.1	178.7	0	115.3	Q80 A84	Q80-K82 VanDerWaalsContact C-N 3.28Å; Q80-K82 PolarHBondContact O-N 3.27Å; K82-A84 PolarHBondContact O-N 2.92Å; K82-A84 VanDerWaalsContact O-N 3.1Å
83	S	61.8	Low	84.6	Confident	120 Å²	120	56.3 Å²	56.3	84%	0.839	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	20.2	175.3	-47.2	0	0	0	0	115.5	M81 L85	M81-S83 PolarHBondContact O-N 3.32Å; S83-L85 PolarHBondContact O-N 3.42Å
84	A	63.7	Low	84.8	Confident	22 Å²	22	55 Å²	55	18%	0.182	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-52.1	140.1	159.9	0	0	0	0	0	109.7	M81 K82 H86 F88	M81-A84 HydrophobicContact CE-CB 4.34Å; M81-A84 VanDerWaalsContact O-CB 3.27Å; M81-A84 WeakPolarHBondContact O-CB 3.43Å; M81-A84 PolarHBondContact O-N 2.9Å; K82-A84 PolarHBondContact O-N 2.92Å; K82-A84 VanDerWaalsContact O-N 3.1Å; A84-H86 PolarHBondContact O-ND1 3.01Å; A84-F88 HydrophobicContact CB-CD1 4.48Å; A84-F88 HydrophobicContact CB-CE1 4.3Å
85	L	60.6	Low	85	Confident	159 Å²	159	51.6 Å²	51.6	83%	0.832	28%	0.276	S	S	*	.	P	Polyproline II helix	trans	-59	144	174.5	-84.8	81.3	0	0	0	109.6	S83	S83-L85 PolarHBondContact O-N 3.42Å
86	H	66.2	Low	85.2	Confident	108 Å²	108	47.5 Å²	47.5	50%	0.5	26%	0.258	S	S	.	.	S	Bend	trans	-81	148	173	-65	31.2	0	0	0	108.8	A84 F88	A84-H86 PolarHBondContact O-ND1 3.01Å; H86-F88 AromaticContact CE1-CE1 3.47Å; H86-F88 VanDerWaalsContact CE1-CE1 3.47Å; H86-F88 WeakPolarHBondContact CE1-CE1 3.45Å; H86-F88 AromaticContact CE1-CZ 3.67Å; H86-F88 AromaticContact ND1-CE1 3.5Å; H86-F88 WeakPolarHBondContact ND1-CE1 3.22Å
87	P	75.3	Confident	85.4	Confident	71 Å²	71	46.5 Å²	46.5	46%	0.461	25%	0.251	S	S	.	.	S	Bend	cis	-74.7	156.7	1	32.4	-36.6	0	0	0	113.4	L17 T89	L17-P87 HydrophobicContact CB-CB 4.4Å; L17-P87 HydrophobicContact CD2-CB 4.3Å; L17-P87 HydrophobicContact CG-CB 4.45Å; P87-T89 PolarHBondContact O-N 3.14Å
88	F	87.7	Confident	85.5	Confident	4 Å²	4	46.9 Å²	46.9	2%	0.018	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	101.7	178.7	-75.6	-8.8	0	0	0	111.3	V16 L17 C18 T19 V77 V78 M81 A84 H86	V16-F88 HydrophobicContact CG1-CD1 4.44Å; V16-F88 HydrophobicContact CG1-CD2 3.54Å; V16-F88 HydrophobicContact CG1-CE2 3.66Å; V16-F88 HydrophobicContact CG1-CG 3.96Å; V16-F88 HydrophobicContact CG1-CZ 4.17Å; L17-F88 PolarHBondContact O-N 2.88Å; C18-F88 WeakPolarHBondContact CA-O 3.24Å; T19-F88 PolarHBondContact N-O 3.26Å; V77-F88 HydrophobicContact CG1-CD2 4.32Å; V78-F88 HydrophobicContact CB-CE2 4.46Å; V78-F88 HydrophobicContact CG2-CE2 4.14Å; M81-F88 HydrophobicContact CB-CD1 4.26Å; M81-F88 HydrophobicContact CB-CD2 4.08Å; M81-F88 HydrophobicContact CB-CE1 3.81Å; M81-F88 HydrophobicContact CB-CE2 3.61Å; M81-F88 HydrophobicContact CB-CG 4.38Å; M81-F88 HydrophobicContact CB-CZ 3.48Å; M81-F88 VanDerWaalsContact CB-CZ 3.48Å; M81-F88 HydrophobicContact CE-CB 4.05Å; M81-F88 HydrophobicContact CE-CD1 4.07Å; M81-F88 HydrophobicContact CE-CD2 4.5Å; M81-F88 HydrophobicContact CE-CG 3.97Å; M81-F88 HydrophobicContact CG-CD1 4.41Å; M81-F88 HydrophobicContact CG-CD2 3.67Å; M81-F88 HydrophobicContact CG-CE1 4.39Å; M81-F88 HydrophobicContact CG-CE2 3.66Å; M81-F88 HydrophobicContact CG-CG 4.07Å; M81-F88 HydrophobicContact CG-CZ 4.04Å; A84-F88 HydrophobicContact CB-CD1 4.48Å; A84-F88 HydrophobicContact CB-CE1 4.3Å; H86-F88 AromaticContact CE1-CE1 3.47Å; H86-F88 VanDerWaalsContact CE1-CE1 3.47Å; H86-F88 WeakPolarHBondContact CE1-CE1 3.45Å; H86-F88 AromaticContact CE1-CZ 3.67Å; H86-F88 AromaticContact ND1-CE1 3.5Å; H86-F88 WeakPolarHBondContact ND1-CE1 3.22Å
89	T	89.1	Confident	85.6	Confident	83 Å²	83	50 Å²	50	51%	0.509	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	131.3	173.5	-45.9	0	0	0	0	112	T19 P87	T19-T89 CarbonylContact O-C 3.48Å; T19-T89 WeakPolarHBondContact O-CA 3.1Å; P87-T89 PolarHBondContact O-N 3.14Å
90	M	92.8	Very high	85.6	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	167.6	-179	-44.1	-174	87.2	0	0	110.4	T19 I20 R21 L41 I59 Y61 L71 V77 M81	T19-M90 PolarHBondContact O-N 2.87Å; I20-M90 WeakPolarHBondContact CA-O 3.33Å; R21-M90 PolarHBondContact N-O 2.93Å; L41-M90 HydrophobicContact CD1-SD 3.69Å; I59-M90 HydrophobicContact CG2-CB 3.65Å; I59-M90 HydrophobicContact CG2-CE 3.84Å; I59-M90 HydrophobicContact CG2-CG 4.41Å; I59-M90 HydrophobicContact CG2-SD 4Å; Y61-M90 HydrophobicContact CD1-CE 4.17Å; Y61-M90 HydrophobicContact CG-CE 4.33Å; L71-M90 HydrophobicContact CB-CE 4.46Å; L71-M90 HydrophobicContact CD1-CE 3.77Å; L71-M90 HydrophobicContact CD2-CE 3.84Å; L71-M90 HydrophobicContact CG-CE 4.24Å; V77-M90 HydrophobicContact CG1-CE 4.47Å; V77-M90 HydrophobicContact CG1-SD 4.46Å; M81-M90 HydrophobicContact SD-CE 3.8Å
91	C	94.6	Very high	85.7	Confident	31 Å²	31	47 Å²	47	21%	0.209	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	128.4	177.3	-54.6	0	0	0	0	111.6	R21 I59 R60 R93	R21-C91 CarbonylContact O-C 3.59Å; R21-C91 VanDerWaalsContact O-CA 3.32Å; R21-C91 WeakPolarHBondContact O-CA 3.35Å; I59-C91 WeakPolarHBondContact CA-O 3.49Å; R60-C91 HydrophobicContact CG-CB 3.98Å; R60-C91 PolarHBondContact N-O 2.76Å; R60-C91 PolarHBondContact O-N 3.34Å; C91-R93 HydrophobicContact CB-CG 4.15Å
92	F	97.3	Very high	85.9	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	124	168.5	177.7	-105.3	0	0	0	109.8	I20 R21 L22 L23 L42 V45 Y49 L51 F57 I59	I20-F92 HydrophobicContact CG2-CB 4Å; R21-F92 PolarHBondContact O-N 3.26Å; L22-F92 HydrophobicContact CD2-CB 4.01Å; L23-F92 HydrophobicContact CD1-CD1 3.9Å; L23-F92 HydrophobicContact CD1-CE1 3.86Å; L23-F92 HydrophobicContact CG-CD1 4.2Å; L42-F92 HydrophobicContact CD1-CD2 4.37Å; L42-F92 HydrophobicContact CD1-CE2 3.96Å; V45-F92 HydrophobicContact CB-CD2 4.1Å; V45-F92 HydrophobicContact CB-CE2 4.35Å; V45-F92 HydrophobicContact CB-CG 4.47Å; V45-F92 HydrophobicContact CG1-CB 4.02Å; V45-F92 HydrophobicContact CG1-CD1 3.8Å; V45-F92 HydrophobicContact CG1-CD2 3.52Å; V45-F92 HydrophobicContact CG1-CE1 4.04Å; V45-F92 HydrophobicContact CG1-CE2 3.78Å; V45-F92 HydrophobicContact CG1-CG 3.52Å; V45-F92 HydrophobicContact CG1-CZ 4.02Å; V45-F92 HydrophobicContact CG2-CD2 4.46Å; Y49-F92 HydrophobicContact CD2-CE1 4.2Å; Y49-F92 HydrophobicContact CE2-CD1 4.12Å; Y49-F92 HydrophobicContact CE2-CE1 4Å; L51-F92 HydrophobicContact CD2-CZ 4.18Å; F57-F92 HydrophobicContact CB-CD2 4.46Å; F57-F92 HydrophobicContact CB-CE1 4.32Å; F57-F92 HydrophobicContact CB-CE2 3.51Å; F57-F92 HydrophobicContact CB-CZ 3.43Å; F57-F92 VanDerWaalsContact CB-CZ 3.43Å; F57-F92 AromaticContact CD1-CE1 3.76Å; F57-F92 HydrophobicContact CD1-CE1 3.76Å; F57-F92 HydrophobicContact CD1-CE2 4.48Å; F57-F92 AromaticContact CD1-CZ 3.66Å; F57-F92 HydrophobicContact CD1-CZ 3.66Å; F57-F92 HydrophobicContact CD2-CZ 4.33Å; F57-F92 HydrophobicContact CE1-CE1 4.37Å; F57-F92 HydrophobicContact CG-CE1 4.15Å; F57-F92 HydrophobicContact CG-CE2 4.18Å; F57-F92 AromaticContact CG-CZ 3.55Å; F57-F92 HydrophobicContact CG-CZ 3.55Å; I59-F92 HydrophobicContact CG1-CD2 4.32Å
93	R	96.8	Very high	86.8	Confident	6 Å²	6	48.9 Å²	48.9	2%	0.023	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	163.2	-173.2	-66.2	-63.2	-179.5	-94.1	18	111	R21 L22 D25 G58 R60 W70 C91 K95	R21-R93 PolarHBondContact O-NH1 3.18Å; L22-R93 PolarHBondContact O-NH1 3.01Å; L22-R93 PolarHBondContact O-NH2 2.86Å; D25-R93 IonicContact OD1-NH2 3.38Å; D25-R93 PolarHBondContact OD1-NH2 3.37Å; G58-R93 PolarHBondContact N-O 3.38Å; G58-R93 PolarHBondContact O-N 3.02Å; G58-R93 VanDerWaalsContact O-O 3.09Å; R60-R93 HydrophobicContact CG-CG 4.42Å; W70-R93 HydrophobicContact CH2-CB 4.21Å; W70-R93 HydrophobicContact CZ3-CB 4.47Å; C91-R93 HydrophobicContact CB-CG 4.15Å; R93-K95 PolarHBondContact O-N 3.39Å
94	V	97.3	Very high	88.2	Confident	4 Å²	4	43.4 Å²	43.4	2%	0.024	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	125.1	171.7	-179.7	0	0	0	0	108.7	F57 W70 F96 Y97 L113 Q116	F57-V94 HydrophobicContact CD1-CG2 4.04Å; F57-V94 HydrophobicContact CE1-CG2 3.73Å; W70-V94 WeakPolarHBondContact CH2-O 3.43Å; V94-F96 VanDerWaalsContact CG1-O 3.3Å; V94-F96 WeakPolarHBondContact CG1-O 3.48Å; V94-Y97 HydrophobicContact CB-CE1 4.44Å; V94-Y97 HydrophobicContact CB-CE2 4.14Å; V94-Y97 HydrophobicContact CG1-CD1 4.2Å; V94-Y97 HydrophobicContact CG1-CD2 3.8Å; V94-Y97 HydrophobicContact CG1-CE1 4.21Å; V94-Y97 HydrophobicContact CG1-CE2 3.79Å; V94-Y97 HydrophobicContact CG1-CG 3.99Å; V94-L113 HydrophobicContact CG1-CD1 4.27Å; V94-L113 HydrophobicContact CG2-CD1 4.06Å; V94-Q116 HydrophobicContact CB-CB 4.38Å; V94-Q116 HydrophobicContact CB-CG 3.92Å; V94-Q116 HydrophobicContact CG2-CB 3.65Å; V94-Q116 HydrophobicContact CG2-CG 3.76Å
95	K	96	Very high	89.5	Confident	31 Å²	31	48.1 Å²	48.1	14%	0.135	24%	0.241	C	C	.	.	S	Bend	trans	-96.7	-40.8	177.6	-177.3	174.9	-179.1	-179.3	0	111.6	Y56 W70 R93 E289	Y56-K95 PolarHBondContact O-N 3.48Å; W70-K95 HydrophobicContact CD2-CB 4.49Å; W70-K95 HydrophobicContact CD2-CD 3.97Å; W70-K95 HydrophobicContact CD2-CG 3.96Å; W70-K95 HydrophobicContact CE3-CB 4.23Å; W70-K95 HydrophobicContact CE3-CD 4.1Å; W70-K95 HydrophobicContact CE3-CG 4.14Å; W70-K95 HydrophobicContact CG-CD 4.23Å; W70-K95 HydrophobicContact CH2-CB 3.82Å; W70-K95 HydrophobicContact CH2-CG 4.2Å; W70-K95 HydrophobicContact CZ2-CB 4.1Å; W70-K95 HydrophobicContact CZ2-CG 4.02Å; W70-K95 HydrophobicContact CZ3-CB 3.88Å; W70-K95 HydrophobicContact CZ3-CG 4.25Å; R93-K95 PolarHBondContact O-N 3.39Å; K95-E289 WeakPolarHBondContact CE-OE2 3.35Å; K95-E289 IonicContact NZ-OE1 2.7Å; K95-E289 PolarHBondContact NZ-OE1 3.39Å; K95-E289 IonicContact NZ-OE2 3.08Å; K95-E289 PolarHBondContact NZ-OE2 2.95Å
96	F	96.9	Very high	90.9	Very high	6 Å²	6	40.8 Å²	40.8	3%	0.026	20%	0.202	C	C	.	.	S	Bend	trans	-123.5	124.9	176.4	-55.3	-69.2	0	0	0	109.2	D55 Y56 V94 E289 N290 F293 Y294 Y319	D55-F96 WeakPolarHBondContact O-CD2 3.48Å; Y56-F96 WeakPolarHBondContact CD1-O 3.45Å; Y56-F96 PolarHBondContact O-N 2.98Å; V94-F96 VanDerWaalsContact CG1-O 3.3Å; V94-F96 WeakPolarHBondContact CG1-O 3.48Å; F96-E289 HydrophobicContact CE1-CB 4.43Å; F96-E289 HydrophobicContact CZ-CB 4.3Å; F96-N290 WeakPolarHBondContact CD1-OD1 3.49Å; F96-F293 HydrophobicContact CB-CD1 3.64Å; F96-F293 HydrophobicContact CB-CE1 3.36Å; F96-F293 HydrophobicContact CB-CE2 4.46Å; F96-F293 HydrophobicContact CB-CG 4.32Å; F96-F293 HydrophobicContact CB-CZ 3.81Å; F96-F293 HydrophobicContact CD1-CB 4.01Å; F96-F293 AromaticContact CD1-CD1 3.74Å; F96-F293 HydrophobicContact CD1-CD1 3.74Å; F96-F293 HydrophobicContact CD1-CE1 4.37Å; F96-F293 AromaticContact CD1-CG 3.87Å; F96-F293 HydrophobicContact CD1-CG 3.87Å; F96-F293 HydrophobicContact CD2-CD1 4.22Å; F96-F293 AromaticContact CD2-CD2 3.95Å; F96-F293 HydrophobicContact CD2-CD2 3.95Å; F96-F293 HydrophobicContact CD2-CE1 4.32Å; F96-F293 HydrophobicContact CD2-CE2 4.03Å; F96-F293 HydrophobicContact CD2-CG 4.04Å; F96-F293 HydrophobicContact CD2-CZ 4.22Å; F96-F293 HydrophobicContact CE1-CB 3.87Å; F96-F293 HydrophobicContact CE1-CD1 4.46Å; F96-F293 HydrophobicContact CE1-CG 4.15Å; F96-F293 HydrophobicContact CE2-CD2 4.17Å; F96-F293 HydrophobicContact CE2-CG 4.31Å; F96-F293 HydrophobicContact CG-CB 4.42Å; F96-F293 AromaticContact CG-CD1 3.61Å; F96-F293 HydrophobicContact CG-CD1 3.61Å; F96-F293 HydrophobicContact CG-CD2 4.18Å; F96-F293 AromaticContact CG-CE1 3.8Å; F96-F293 HydrophobicContact CG-CE1 3.8Å; F96-F293 HydrophobicContact CG-CE2 4.31Å; F96-F293 AromaticContact CG-CG 3.81Å; F96-F293 HydrophobicContact CG-CG 3.81Å; F96-F293 HydrophobicContact CG-CZ 4.14Å; F96-F293 HydrophobicContact CZ-CB 4.16Å; F96-F293 HydrophobicContact CZ-CG 4.36Å; F96-Y294 WeakPolarHBondContact CA-OH 3.46Å; F96-Y294 HydrophobicContact CD1-CE2 4.43Å; F96-Y319 HydrophobicContact CZ-CE2 4.08Å
97	Y	97.2	Very high	92.1	Very high	6 Å²	6	37.9 Å²	37.9	2%	0.024	19%	0.189	C	C	.	.			trans	-90	134.5	-178.9	-70.4	-110.6	0	0	0	108.3	V94 L113 Q116 L117 D120 R125 Y206 G207 Y294	V94-Y97 HydrophobicContact CB-CE1 4.44Å; V94-Y97 HydrophobicContact CB-CE2 4.14Å; V94-Y97 HydrophobicContact CG1-CD1 4.2Å; V94-Y97 HydrophobicContact CG1-CD2 3.8Å; V94-Y97 HydrophobicContact CG1-CE1 4.21Å; V94-Y97 HydrophobicContact CG1-CE2 3.79Å; V94-Y97 HydrophobicContact CG1-CG 3.99Å; Y97-L113 HydrophobicContact CD1-CD1 3.83Å; Y97-L113 HydrophobicContact CE1-CD1 4.12Å; Y97-Q116 HydrophobicContact CE1-CG 3.97Å; Y97-Q116 WeakPolarHBondContact OH-CG 3.47Å; Y97-L117 HydrophobicContact CE1-CD2 4.21Å; Y97-D120 PolarHBondContact OH-OD2 2.9Å; Y97-D120 VanDerWaalsContact OH-OD2 3.04Å; Y97-R125 PolarHBondContact OH-NH2 2.99Å; Y97-Y206 AromaticContact CD1-CE2 3.99Å; Y97-Y206 HydrophobicContact CD1-CE2 3.99Å; Y97-G207 VanDerWaalsContact CD2-CA 3.48Å; Y97-G207 VanDerWaalsContact CG-CA 3.43Å; Y97-Y294 PolarHBondContact N-OH 3.35Å; Y97-Y294 VanDerWaalsContact N-OH 3.07Å; Y97-Y294 WeakPolarHBondContact O-CE1 3.06Å; Y97-Y294 PolarHBondContact O-OH 3.01Å
98	P	95	Very high	92.9	Very high	8 Å²	8	35 Å²	35	5%	0.052	17%	0.17	C	C	.	.			trans	-63.4	144.3	176.6	31.9	-39.9	0	0	0	109.8	Y56 E100 P101 I104 L113 Y206	Y56-P98 HydrophobicContact CE1-CB 4.23Å; P98-E100 PolarHBondContact O-N 3.17Å; P98-P101 HydrophobicContact CG-CB 4.23Å; P98-P101 HydrophobicContact CG-CG 4.04Å; P98-I104 HydrophobicContact CB-CD1 4.07Å; P98-I104 HydrophobicContact CB-CG1 4.35Å; P98-I104 HydrophobicContact CG-CD1 3.66Å; P98-I104 HydrophobicContact CG-CG1 4.43Å; P98-L113 HydrophobicContact CG-CD2 3.56Å; P98-Y206 WeakPolarHBondContact CD-OH 3.32Å; P98-Y206 WeakPolarHBondContact CG-OH 3.49Å; P98-Y206 VanDerWaalsContact O-CE1 3.28Å; P98-Y206 WeakPolarHBondContact O-CE1 3.45Å; P98-Y206 PolarHBondContact O-OH 3.33Å
99	H	91.9	Very high	93.2	Very high	104 Å²	104	34.9 Å²	34.9	48%	0.481	17%	0.169	S	C	.	.	S	Bend	trans	-63.9	-33.6	174.2	-168.5	-80.5	0	0	0	111.7	A227	H99-A227 HydrophobicContact CB-CB 3.92Å
100	E	90.6	Very high	93.5	Very high	77 Å²	77	33.4 Å²	33.4	36%	0.36	15%	0.154	S	C	.	.			trans	-137.2	101.1	177.4	-68.9	157.1	86.1	0	0	107.7	P98 M102 K103	P98-E100 PolarHBondContact O-N 3.17Å; E100-M102 PolarHBondContact O-N 3.48Å; E100-M102 VanDerWaalsContact O-N 3.11Å; E100-K103 HydrophobicContact CB-CD 4.13Å; E100-K103 HydrophobicContact CB-CG 4.19Å; E100-K103 PolarHBondContact O-N 3.24Å; E100-K103 WeakPolarHBondContact OE1-CE 3.46Å; E100-K103 IonicContact OE1-NZ 2.71Å; E100-K103 PolarHBondContact OE1-NZ 3.49Å; E100-K103 IonicContact OE2-NZ 3.58Å; E100-K103 PolarHBondContact OE2-NZ 3.1Å
101	P	92.5	Very high	93.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-55.4	-27.8	179.1	-26.6	33.6	0	0	0	114.1	P98 K103 I104 L113 L197 H201	P98-P101 HydrophobicContact CG-CB 4.23Å; P98-P101 HydrophobicContact CG-CG 4.04Å; P101-K103 PolarHBondContact O-N 3.03Å; P101-K103 VanDerWaalsContact O-N 3.16Å; P101-I104 WeakPolarHBondContact O-CB 3.37Å; P101-I104 PolarHBondContact O-N 2.88Å; P101-I104 VanDerWaalsContact O-N 3.16Å; P101-L113 HydrophobicContact CB-CD2 3.91Å; P101-L113 HydrophobicContact CG-CD2 4.06Å; P101-L197 HydrophobicContact CB-CB 3.92Å; P101-L197 HydrophobicContact CB-CD1 4.1Å; P101-L197 HydrophobicContact CB-CG 4.45Å; P101-L197 HydrophobicContact CG-CB 4.34Å; P101-H201 HydrophobicContact CG-CB 3.89Å
102	M	90.3	Very high	93.6	Very high	69 Å²	69	32.7 Å²	32.7	34%	0.34	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-61.9	-18.5	177.3	-53.5	-61	110.1	0	0	113.7	E100 L194 L197 Q198	E100-M102 PolarHBondContact O-N 3.48Å; E100-M102 VanDerWaalsContact O-N 3.11Å; M102-L194 HydrophobicContact CE-CD1 3.6Å; M102-L194 HydrophobicContact CE-CG 4Å; M102-L194 HydrophobicContact SD-CD1 3.65Å; M102-L194 HydrophobicContact SD-CD2 4.43Å; M102-L194 HydrophobicContact SD-CG 3.88Å; M102-L197 HydrophobicContact CE-CB 3.74Å; M102-Q198 HydrophobicContact CE-CB 3.88Å; M102-Q198 HydrophobicContact SD-CB 4.33Å
103	K	89.9	Confident	93.5	Very high	116 Å²	116	32.8 Å²	32.8	50%	0.504	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-89.6	-4.3	179	-68.3	-178.5	176.5	164.3	0	113.8	E100 P101	E100-K103 HydrophobicContact CB-CD 4.13Å; E100-K103 HydrophobicContact CB-CG 4.19Å; E100-K103 PolarHBondContact O-N 3.24Å; E100-K103 WeakPolarHBondContact OE1-CE 3.46Å; E100-K103 IonicContact OE1-NZ 2.71Å; E100-K103 PolarHBondContact OE1-NZ 3.49Å; E100-K103 IonicContact OE2-NZ 3.58Å; E100-K103 PolarHBondContact OE2-NZ 3.1Å; P101-K103 PolarHBondContact O-N 3.03Å; P101-K103 VanDerWaalsContact O-N 3.16Å
104	I	91.4	Very high	93.5	Very high	5 Å²	5	32.6 Å²	32.6	3%	0.026	15%	0.147	C	C	.	.			trans	-70.3	126.2	171.2	-72.4	171.2	0	0	0	108.9	E53 Y56 P98 P101 E106 T109 R110 L113	E53-I104 VanDerWaalsContact OE2-CG2 3.28Å; E53-I104 WeakPolarHBondContact OE2-CG2 3.34Å; Y56-I104 HydrophobicContact CE2-CG1 4.28Å; P98-I104 HydrophobicContact CB-CD1 4.07Å; P98-I104 HydrophobicContact CB-CG1 4.35Å; P98-I104 HydrophobicContact CG-CD1 3.66Å; P98-I104 HydrophobicContact CG-CG1 4.43Å; P101-I104 WeakPolarHBondContact O-CB 3.37Å; P101-I104 PolarHBondContact O-N 2.88Å; P101-I104 VanDerWaalsContact O-N 3.16Å; I104-E106 WeakPolarHBondContact CG2-O 3.42Å; I104-T109 HydrophobicContact CD1-CG2 4.08Å; I104-T109 HydrophobicContact CG1-CG2 4.48Å; I104-T109 VanDerWaalsContact CG2-CB 3.48Å; I104-T109 HydrophobicContact CG2-CG2 3.64Å; I104-R110 HydrophobicContact CB-CG 3.89Å; I104-R110 HydrophobicContact CG2-CG 3.62Å; I104-R110 PolarHBondContact O-NH1 2.71Å; I104-L113 HydrophobicContact CD1-CD2 4.03Å
105	K	90.3	Very high	93.4	Very high	121 Å²	121	33 Å²	33	53%	0.526	15%	0.149	S	C	.	.			trans	-75.1	-45.4	-177.4	-177.5	60.9	176.2	176.7	0	112.1	E53 R110 S331 I334	E53-K105 PolarHBondContact OE1-N 3Å; K105-R110 PolarHBondContact O-NH1 3.15Å; K105-S331 WeakPolarHBondContact CB-OG 3.47Å; K105-S331 PolarHBondContact N-OG 2.93Å; K105-I334 HydrophobicContact CG-CB 4.28Å
106	E	90.9	Very high	93.4	Very high	5 Å²	5	31.6 Å²	31.6	2%	0.023	14%	0.143	C	C	.	.			trans	-83.3	136.7	-173	-49.5	-156.3	104.7	0	0	112.7	L52 E53 I104 T109 R110 I334 R336	L52-E106 WeakPolarHBondContact CB-OE2 3.5Å; L52-E106 PolarHBondContact N-OE2 3.39Å; L52-E106 VanDerWaalsContact N-OE2 3.07Å; E53-E106 HydrophobicContact CG-CG 4.27Å; E53-E106 VanDerWaalsContact OE2-CB 3.28Å; E53-E106 WeakPolarHBondContact OE2-CB 3.36Å; E53-E106 WeakPolarHBondContact OE2-CG 3.23Å; E53-E106 PolarHBondContact OE2-N 3.38Å; I104-E106 WeakPolarHBondContact CG2-O 3.42Å; E106-T109 PolarHBondContact O-N 2.8Å; E106-R110 PolarHBondContact O-N 2.88Å; E106-I334 HydrophobicContact CG-CD1 3.76Å; E106-R336 IonicContact OE1-CZ 3.57Å; E106-R336 IonicContact OE1-NE 2.75Å; E106-R336 PolarHBondContact OE1-NE 2.99Å; E106-R336 IonicContact OE1-NH2 3.6Å; E106-R336 PolarHBondContact OE1-NH2 2.95Å; E106-R336 IonicContact OE2-NH2 2.73Å; E106-R336 PolarHBondContact OE2-NH2 2.79Å
107	E	90.7	Very high	93.3	Very high	47 Å²	47	31.3 Å²	31.3	22%	0.22	14%	0.142	C	C	.	.	H	α-helix	trans	-64.5	-42	176.1	-171.9	167.3	130.6	0	0	112.2	T109 R110 Y111 P338 V341 R344	E107-T109 VanDerWaalsContact C-N 3.28Å; E107-T109 PolarHBondContact O-N 2.8Å; E107-R110 CarbonylContact O-C 3.56Å; E107-R110 WeakPolarHBondContact O-CA 3.24Å; E107-R110 WeakPolarHBondContact O-CB 3.26Å; E107-R110 PolarHBondContact O-N 3.16Å; E107-R110 IonicContact OE2-NH2 2.65Å; E107-Y111 PolarHBondContact O-N 3.22Å; E107-P338 HydrophobicContact CB-CB 4.27Å; E107-V341 HydrophobicContact CG-CG2 4.48Å; E107-R344 IonicContact OE1-CZ 2.8Å; E107-R344 VanDerWaalsContact OE1-CZ 3.25Å; E107-R344 IonicContact OE1-NH1 3.46Å; E107-R344 PolarHBondContact OE1-NH1 3.31Å; E107-R344 IonicContact OE1-NH2 3.36Å; E107-R344 PolarHBondContact OE1-NH2 3.41Å
108	L	92.1	Very high	93.2	Very high	12 Å²	12	32.5 Å²	32.5	6%	0.063	15%	0.147	C	C	.	.	H	α-helix	trans	-51.2	-45.7	173.5	174.4	66.9	0	0	0	112.3	Y49 L51 R110 Y111 L112 P339	Y49-L108 HydrophobicContact CD1-CD1 4.42Å; Y49-L108 WeakPolarHBondContact O-CD2 3.49Å; L51-L108 HydrophobicContact CB-CD2 4.22Å; L51-L108 HydrophobicContact CD1-CD2 4.12Å; L51-L108 HydrophobicContact CD1-CG 4.39Å; L108-R110 VanDerWaalsContact C-N 3.34Å; L108-R110 PolarHBondContact O-N 3.26Å; L108-Y111 PolarHBondContact O-N 3.31Å; L108-L112 HydrophobicContact CD1-CD1 4.13Å; L108-L112 HydrophobicContact CD1-CG 4.18Å; L108-L112 HydrophobicContact CG-CD1 4.1Å; L108-L112 HydrophobicContact CG-CG 4.49Å; L108-L112 WeakPolarHBondContact O-CB 3.5Å; L108-L112 VanDerWaalsContact O-CG 3.27Å; L108-L112 WeakPolarHBondContact O-CG 3.5Å; L108-L112 PolarHBondContact O-N 2.9Å; L108-P339 HydrophobicContact CB-CG 4.08Å; L108-P339 HydrophobicContact CD2-CG 4.05Å
109	T	94.6	Very high	93	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.006	15%	0.149	C	C	.	.	H	α-helix	trans	-66.8	-36.2	179.5	-50.8	0	0	0	0	111.9	L51 E53 Y56 F57 I104 E106 E107 L113	L51-T109 WeakPolarHBondContact CD1-OG1 3.45Å; E53-T109 HydrophobicContact CB-CG2 3.96Å; E53-T109 WeakPolarHBondContact OE2-CB 3.42Å; E53-T109 PolarHBondContact OE2-OG1 3.38Å; Y56-T109 HydrophobicContact CD2-CG2 4.14Å; F57-T109 HydrophobicContact CE2-CG2 3.89Å; F57-T109 HydrophobicContact CZ-CG2 4.06Å; I104-T109 HydrophobicContact CD1-CG2 4.08Å; I104-T109 HydrophobicContact CG1-CG2 4.48Å; I104-T109 VanDerWaalsContact CG2-CB 3.48Å; I104-T109 HydrophobicContact CG2-CG2 3.64Å; E106-T109 PolarHBondContact O-N 2.8Å; E107-T109 VanDerWaalsContact C-N 3.28Å; E107-T109 PolarHBondContact O-N 2.8Å; T109-L113 WeakPolarHBondContact O-CB 3.47Å; T109-L113 PolarHBondContact O-N 3.41Å; T109-L113 VanDerWaalsContact O-N 3.11Å
110	R	94.1	Very high	93.2	Very high	52 Å²	52	28.6 Å²	28.6	20%	0.196	13%	0.128	C	C	.	.	H	α-helix	trans	-65.4	-44.2	172.3	-64.6	-170.7	-61.8	-89.6	-0.3	111.3	I104 K105 E106 E107 L108 L113 Y114 L197	I104-R110 HydrophobicContact CB-CG 3.89Å; I104-R110 HydrophobicContact CG2-CG 3.62Å; I104-R110 PolarHBondContact O-NH1 2.71Å; K105-R110 PolarHBondContact O-NH1 3.15Å; E106-R110 PolarHBondContact O-N 2.88Å; E107-R110 CarbonylContact O-C 3.56Å; E107-R110 WeakPolarHBondContact O-CA 3.24Å; E107-R110 WeakPolarHBondContact O-CB 3.26Å; E107-R110 PolarHBondContact O-N 3.16Å; E107-R110 IonicContact OE2-NH2 2.65Å; L108-R110 VanDerWaalsContact C-N 3.34Å; L108-R110 PolarHBondContact O-N 3.26Å; R110-L113 WeakPolarHBondContact O-CB 3.47Å; R110-L113 PolarHBondContact O-N 3.45Å; R110-Y114 PolarHBondContact O-N 2.8Å; R110-L197 HydrophobicContact CB-CD1 3.78Å; R110-L197 HydrophobicContact CG-CD1 4.26Å
111	Y	93.7	Very high	93.3	Very high	16 Å²	16	25 Å²	25	6%	0.063	11%	0.111	C	C	.	.	H	α-helix	trans	-62.3	-45.1	176.2	176.3	-102.8	0	0	0	112.7	E107 L108 L113 Y114 L115 E193 V341 R344	E107-Y111 PolarHBondContact O-N 3.22Å; L108-Y111 PolarHBondContact O-N 3.31Å; Y111-L113 VanDerWaalsContact C-N 3.28Å; Y111-L113 PolarHBondContact O-N 2.82Å; Y111-Y114 HydrophobicContact CD2-CD1 4.27Å; Y111-Y114 HydrophobicContact CE2-CD1 4.36Å; Y111-Y114 WeakPolarHBondContact O-CB 3.49Å; Y111-Y114 PolarHBondContact O-N 2.71Å; Y111-Y114 VanDerWaalsContact O-N 3.13Å; Y111-L115 HydrophobicContact CD1-CD1 3.99Å; Y111-L115 HydrophobicContact CD1-CG 4.4Å; Y111-L115 HydrophobicContact CE1-CD1 3.39Å; Y111-L115 HydrophobicContact CE1-CG 3.99Å; Y111-L115 HydrophobicContact CE2-CG 4.42Å; Y111-L115 PolarHBondContact O-N 3.39Å; Y111-E193 HydrophobicContact CD2-CG 4.49Å; Y111-V341 HydrophobicContact CD1-CG1 3.39Å; Y111-V341 HydrophobicContact CD2-CG1 3.9Å; Y111-V341 HydrophobicContact CE1-CG1 3.49Å; Y111-V341 VanDerWaalsContact CE1-CG1 3.49Å; Y111-V341 HydrophobicContact CE2-CG1 4Å; Y111-V341 HydrophobicContact CG-CG1 3.59Å; Y111-R344 HydrophobicContact CE2-CG 4.06Å
112	L	95.4	Very high	93.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-62.9	-34.4	175.9	-69.8	175.4	0	0	0	112	L23 Y49 L51 F57 L108 Q116	L23-L112 HydrophobicContact CB-CD2 4.1Å; L23-L112 HydrophobicContact CD1-CB 3.91Å; L23-L112 HydrophobicContact CD1-CD2 4.01Å; L23-L112 HydrophobicContact CD1-CG 4.46Å; Y49-L112 HydrophobicContact CD1-CD2 4.41Å; Y49-L112 HydrophobicContact CD2-CD1 4.41Å; Y49-L112 HydrophobicContact CD2-CD2 4.48Å; Y49-L112 HydrophobicContact CE1-CD2 3.92Å; Y49-L112 HydrophobicContact CE2-CD2 3.97Å; Y49-L112 HydrophobicContact CG-CD1 4.49Å; L51-L112 HydrophobicContact CD1-CD1 4.24Å; L51-L112 HydrophobicContact CD2-CD1 4.2Å; F57-L112 HydrophobicContact CE1-CB 3.76Å; F57-L112 HydrophobicContact CE1-CD1 4.26Å; F57-L112 HydrophobicContact CZ-CB 3.76Å; F57-L112 HydrophobicContact CZ-CD1 4.02Å; L108-L112 HydrophobicContact CD1-CD1 4.13Å; L108-L112 HydrophobicContact CD1-CG 4.18Å; L108-L112 HydrophobicContact CG-CD1 4.1Å; L108-L112 HydrophobicContact CG-CG 4.49Å; L108-L112 WeakPolarHBondContact O-CB 3.5Å; L108-L112 VanDerWaalsContact O-CG 3.27Å; L108-L112 WeakPolarHBondContact O-CG 3.5Å; L108-L112 PolarHBondContact O-N 2.9Å; L112-Q116 PolarHBondContact O-N 2.76Å; L112-Q116 VanDerWaalsContact O-N 3.13Å
113	L	96.4	Very high	93.2	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.016	11%	0.113	C	C	.	.	H	α-helix	trans	-70.6	-39	171.7	-178.9	63.2	0	0	0	112.4	V94 Y97 P98 P101 I104 T109 R110 Y111 Q116 L117 L197	V94-L113 HydrophobicContact CG1-CD1 4.27Å; V94-L113 HydrophobicContact CG2-CD1 4.06Å; Y97-L113 HydrophobicContact CD1-CD1 3.83Å; Y97-L113 HydrophobicContact CE1-CD1 4.12Å; P98-L113 HydrophobicContact CG-CD2 3.56Å; P101-L113 HydrophobicContact CB-CD2 3.91Å; P101-L113 HydrophobicContact CG-CD2 4.06Å; I104-L113 HydrophobicContact CD1-CD2 4.03Å; T109-L113 WeakPolarHBondContact O-CB 3.47Å; T109-L113 PolarHBondContact O-N 3.41Å; T109-L113 VanDerWaalsContact O-N 3.11Å; R110-L113 WeakPolarHBondContact O-CB 3.47Å; R110-L113 PolarHBondContact O-N 3.45Å; Y111-L113 VanDerWaalsContact C-N 3.28Å; Y111-L113 PolarHBondContact O-N 2.82Å; L113-Q116 WeakPolarHBondContact O-CB 3.41Å; L113-Q116 PolarHBondContact O-N 2.75Å; L113-L117 HydrophobicContact CD1-CD1 4.2Å; L113-L117 HydrophobicContact CD1-CG 4.47Å; L113-L117 HydrophobicContact CG-CD1 3.99Å; L113-L117 WeakPolarHBondContact O-CG 3.33Å; L113-L117 PolarHBondContact O-N 3.07Å; L113-L197 HydrophobicContact CB-CD2 4.29Å; L113-L197 HydrophobicContact CD2-CD2 3.98Å; L113-L197 HydrophobicContact CG-CD2 3.82Å
114	Y	95.9	Very high	93.2	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.008	9%	0.091	C	C	.	.	H	α-helix	trans	-57.8	-46.7	171.3	157.6	-85.1	0	0	0	110.9	R110 Y111 Q116 L117 K118 I140 A143 A144 E193 M196	R110-Y114 PolarHBondContact O-N 2.8Å; Y111-Y114 HydrophobicContact CD2-CD1 4.27Å; Y111-Y114 HydrophobicContact CE2-CD1 4.36Å; Y111-Y114 WeakPolarHBondContact O-CB 3.49Å; Y111-Y114 PolarHBondContact O-N 2.71Å; Y111-Y114 VanDerWaalsContact O-N 3.13Å; Y114-Q116 VanDerWaalsContact C-N 3.3Å; Y114-Q116 PolarHBondContact O-N 3.2Å; Y114-L117 PolarHBondContact O-N 3.36Å; Y114-L117 VanDerWaalsContact O-N 3.1Å; Y114-K118 WeakPolarHBondContact O-CB 3.27Å; Y114-K118 PolarHBondContact O-N 3.32Å; Y114-I140 HydrophobicContact CE2-CG1 4.49Å; Y114-A143 HydrophobicContact CE2-CB 4Å; Y114-A144 WeakPolarHBondContact OH-CB 3.32Å; Y114-E193 HydrophobicContact CD1-CG 4.17Å; Y114-E193 HydrophobicContact CD2-CB 4.05Å; Y114-E193 HydrophobicContact CD2-CG 3.87Å; Y114-E193 HydrophobicContact CE1-CG 4.44Å; Y114-E193 HydrophobicContact CE2-CG 4.13Å; Y114-E193 HydrophobicContact CG-CB 4.26Å; Y114-E193 HydrophobicContact CG-CG 3.92Å; Y114-M196 HydrophobicContact CD2-CB 4.32Å; Y114-M196 HydrophobicContact CD2-CG 4.46Å; Y114-M196 HydrophobicContact CD2-SD 3.31Å; Y114-M196 WeakPolarHBondContact CD2-SD 3.41Å; Y114-M196 HydrophobicContact CE2-SD 3.41Å; Y114-M196 WeakPolarHBondContact CE2-SD 3.45Å; Y114-M196 HydrophobicContact CG-SD 4.38Å
115	L	94.8	Very high	93.2	Very high	13 Å²	13	20.8 Å²	20.8	7%	0.068	9%	0.092	C	C	.	.	H	α-helix	trans	-63.1	-33.4	176.9	-72.7	-178.9	0	0	0	113.2	L23 D24 Y111 R119	L23-L115 HydrophobicContact CB-CB 4.2Å; L23-L115 HydrophobicContact CB-CD1 4.24Å; D24-L115 HydrophobicContact CB-CD1 4.02Å; Y111-L115 HydrophobicContact CD1-CD1 3.99Å; Y111-L115 HydrophobicContact CD1-CG 4.4Å; Y111-L115 HydrophobicContact CE1-CD1 3.39Å; Y111-L115 HydrophobicContact CE1-CG 3.99Å; Y111-L115 HydrophobicContact CE2-CG 4.42Å; Y111-L115 PolarHBondContact O-N 3.39Å; L115-R119 WeakPolarHBondContact O-CB 3.27Å; L115-R119 PolarHBondContact O-N 3.43Å; L115-R119 PolarHBondContact O-NH1 2.83Å; L115-R119 VanDerWaalsContact O-NH1 3.15Å
116	Q	96.3	Very high	93.4	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	7%	0.068	C	C	.	.	H	α-helix	trans	-66.5	-46.3	171	179.1	68.1	62.4	0	0	111.4	L23 V94 Y97 L112 L113 Y114 R119 D120	L23-Q116 HydrophobicContact CD2-CB 3.93Å; V94-Q116 HydrophobicContact CB-CB 4.38Å; V94-Q116 HydrophobicContact CB-CG 3.92Å; V94-Q116 HydrophobicContact CG2-CB 3.65Å; V94-Q116 HydrophobicContact CG2-CG 3.76Å; Y97-Q116 HydrophobicContact CE1-CG 3.97Å; Y97-Q116 WeakPolarHBondContact OH-CG 3.47Å; L112-Q116 PolarHBondContact O-N 2.76Å; L112-Q116 VanDerWaalsContact O-N 3.13Å; L113-Q116 WeakPolarHBondContact O-CB 3.41Å; L113-Q116 PolarHBondContact O-N 2.75Å; Y114-Q116 VanDerWaalsContact C-N 3.3Å; Y114-Q116 PolarHBondContact O-N 3.2Å; Q116-R119 CarbonylContact O-C 3.58Å; Q116-R119 WeakPolarHBondContact O-CB 3.16Å; Q116-R119 PolarHBondContact O-N 3Å; Q116-D120 PolarHBondContact NE2-OD1 2.95Å; Q116-D120 PolarHBondContact O-N 3Å
117	L	96.1	Very high	93.4	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-71.5	-36.7	-177.2	-68.3	162.4	0	0	0	112.5	Y97 L113 Y114 R119 D120 I121 L126 M196 L197 A200 Y206	Y97-L117 HydrophobicContact CE1-CD2 4.21Å; L113-L117 HydrophobicContact CD1-CD1 4.2Å; L113-L117 HydrophobicContact CD1-CG 4.47Å; L113-L117 HydrophobicContact CG-CD1 3.99Å; L113-L117 WeakPolarHBondContact O-CG 3.33Å; L113-L117 PolarHBondContact O-N 3.07Å; Y114-L117 PolarHBondContact O-N 3.36Å; Y114-L117 VanDerWaalsContact O-N 3.1Å; L117-R119 VanDerWaalsContact C-N 3.25Å; L117-R119 PolarHBondContact O-N 3.4Å; L117-D120 PolarHBondContact O-N 3.24Å; L117-D120 VanDerWaalsContact O-N 3.16Å; L117-I121 WeakPolarHBondContact O-CG1 3.39Å; L117-I121 PolarHBondContact O-N 3.2Å; L117-L126 HydrophobicContact CD2-CD2 4.14Å; L117-M196 HydrophobicContact CB-CE 4.33Å; L117-L197 HydrophobicContact CD1-CD2 3.49Å; L117-L197 VanDerWaalsContact CD1-CD2 3.49Å; L117-A200 HydrophobicContact CD1-CB 4.08Å; L117-Y206 HydrophobicContact CD1-CE2 4.18Å; L117-Y206 HydrophobicContact CD2-CD2 3.94Å; L117-Y206 HydrophobicContact CD2-CE2 4.03Å
118	K	93.6	Very high	93.5	Very high	30 Å²	30	15.4 Å²	15.4	13%	0.13	7%	0.072	C	C	.	.	H	α-helix	trans	-53.3	-44.7	168	178.2	154.7	87.4	166.6	0	110.6	Y114 Y122 I140 E145	Y114-K118 WeakPolarHBondContact O-CB 3.27Å; Y114-K118 PolarHBondContact O-N 3.32Å; K118-Y122 WeakPolarHBondContact O-CB 3.49Å; K118-Y122 PolarHBondContact O-N 3.19Å; K118-I140 HydrophobicContact CD-CB 4.43Å; K118-I140 HydrophobicContact CD-CD1 4.42Å; K118-I140 HydrophobicContact CD-CG1 4.15Å; K118-I140 HydrophobicContact CD-CG2 3.45Å; K118-I140 VanDerWaalsContact CD-CG2 3.45Å; K118-I140 HydrophobicContact CG-CD1 4.21Å; K118-I140 HydrophobicContact CG-CG1 4.38Å; K118-I140 HydrophobicContact CG-CG2 4.36Å; K118-E145 IonicContact NZ-OE1 3.37Å; K118-E145 PolarHBondContact NZ-OE1 3.43Å
119	R	92.8	Very high	93.6	Very high	23 Å²	23	18.8 Å²	18.8	9%	0.087	10%	0.095	C	C	.	.	H	α-helix	trans	-71.1	-35.2	176.6	-177.6	177.2	-66.7	95	0.6	113.8	L23 D25 L115 Q116 L117 Y122 H123	L23-R119 VanDerWaalsContact O-CZ 3.22Å; L23-R119 PolarHBondContact O-NH1 3.04Å; L23-R119 PolarHBondContact O-NH2 2.66Å; D25-R119 IonicContact OD1-CZ 3.62Å; D25-R119 IonicContact OD1-NE 3.72Å; D25-R119 IonicContact OD1-NH2 3.25Å; D25-R119 PolarHBondContact OD1-NH2 3.19Å; D25-R119 VanDerWaalsContact OD1-NH2 3.14Å; D25-R119 IonicContact OD2-CZ 2.78Å; D25-R119 IonicContact OD2-NE 2.76Å; D25-R119 IonicContact OD2-NH2 3.95Å; D25-R119 PolarHBondContact OD2-NH2 2.88Å; L115-R119 WeakPolarHBondContact O-CB 3.27Å; L115-R119 PolarHBondContact O-N 3.43Å; L115-R119 PolarHBondContact O-NH1 2.83Å; L115-R119 VanDerWaalsContact O-NH1 3.15Å; Q116-R119 CarbonylContact O-C 3.58Å; Q116-R119 WeakPolarHBondContact O-CB 3.16Å; Q116-R119 PolarHBondContact O-N 3Å; L117-R119 VanDerWaalsContact C-N 3.25Å; L117-R119 PolarHBondContact O-N 3.4Å; R119-Y122 PolarHBondContact O-N 2.91Å; R119-H123 PolarHBondContact O-CD2 2.98Å; R119-H123 VanDerWaalsContact O-CD2 3.3Å; R119-H123 PolarHBondContact O-N 2.75Å
120	D	94.4	Very high	93.6	Very high	7 Å²	7	23.3 Å²	23.3	4%	0.037	12%	0.115	C	C	.	.	H	α-helix	trans	-72.3	-34.3	178.2	-71.8	-8.5	0	0	0	112	Y97 Q116 L117 G124 R125 L126	Y97-D120 PolarHBondContact OH-OD2 2.9Å; Y97-D120 VanDerWaalsContact OH-OD2 3.04Å; Q116-D120 PolarHBondContact NE2-OD1 2.95Å; Q116-D120 PolarHBondContact O-N 3Å; L117-D120 PolarHBondContact O-N 3.24Å; L117-D120 VanDerWaalsContact O-N 3.16Å; D120-G124 PolarHBondContact O-N 3.1Å; D120-R125 HydrophobicContact CB-CB 4.07Å; D120-R125 HydrophobicContact CB-CG 4.15Å; D120-R125 WeakPolarHBondContact O-CA 3.31Å; D120-R125 WeakPolarHBondContact O-CB 3.36Å; D120-R125 PolarHBondContact O-N 3.41Å; D120-R125 WeakPolarHBondContact OD1-CD 3.42Å; D120-R125 IonicContact OD1-NE 2.71Å; D120-R125 IonicContact OD2-CZ 3.8Å; D120-R125 IonicContact OD2-NE 4Å; D120-R125 PolarHBondContact OD2-NE 2.88Å; D120-L126 HydrophobicContact CB-CB 4.21Å; D120-L126 PolarHBondContact O-N 2.95Å
121	I	93.9	Very high	93.7	Very high	2 Å²	2	24 Å²	24	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-62.5	-52.5	167.1	-69.4	176.1	0	0	0	109.9	L117 H123 G124 L126 L136 I140 F165 P166 M196	L117-I121 WeakPolarHBondContact O-CG1 3.39Å; L117-I121 PolarHBondContact O-N 3.2Å; I121-H123 PolarHBondContact O-N 2.9Å; I121-H123 VanDerWaalsContact O-N 3.15Å; I121-G124 PolarHBondContact O-N 3.31Å; I121-L126 HydrophobicContact CD1-CD2 4.13Å; I121-L126 HydrophobicContact CG1-CB 3.98Å; I121-L126 HydrophobicContact CG1-CD2 3.72Å; I121-L126 HydrophobicContact CG1-CG 4.31Å; I121-L136 HydrophobicContact CD1-CB 4.01Å; I121-L136 HydrophobicContact CD1-CD1 4.04Å; I121-L136 HydrophobicContact CD1-CG 4.49Å; I121-I140 HydrophobicContact CD1-CD1 4.37Å; I121-F165 HydrophobicContact CG2-CD1 3.46Å; I121-F165 VanDerWaalsContact CG2-CD1 3.46Å; I121-F165 HydrophobicContact CG2-CE1 3.21Å; I121-F165 HydrophobicContact CG2-CG 4.29Å; I121-F165 HydrophobicContact CG2-CZ 3.86Å; I121-P166 WeakPolarHBondContact O-CD 3.15Å; I121-M196 HydrophobicContact CD1-CE 3.36Å
122	Y	91.7	Very high	93.9	Very high	40 Å²	40	24.9 Å²	24.9	16%	0.157	14%	0.136	C	C	.	.	H	α-helix	trans	-55.5	-35.1	-177.8	179.8	-101.8	0	0	0	113.7	K118 R119 K163 P166 Y353	K118-Y122 WeakPolarHBondContact O-CB 3.49Å; K118-Y122 PolarHBondContact O-N 3.19Å; R119-Y122 PolarHBondContact O-N 2.91Å; Y122-K163 WeakPolarHBondContact CD2-O 3.33Å; Y122-K163 HydrophobicContact CE2-CB 4.15Å; Y122-K163 WeakPolarHBondContact CE2-O 3.49Å; Y122-P166 WeakPolarHBondContact O-CG 3.21Å; Y122-Y353 HydrophobicContact CD1-CD1 4.08Å; Y122-Y353 AromaticContact CE1-CD1 3.69Å; Y122-Y353 HydrophobicContact CE1-CD1 3.69Å; Y122-Y353 HydrophobicContact CE1-CE1 4.5Å; Y122-Y353 AromaticContact CE1-CG 3.94Å; Y122-Y353 HydrophobicContact CE1-CG 3.94Å; Y122-Y353 AromaticContact CZ-CG 3.85Å; Y122-Y353 WeakPolarHBondContact OH-CB 3.43Å
123	H	88.9	Confident	93.9	Very high	47 Å²	47	25.2 Å²	25.2	22%	0.218	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	4.1	177.6	-66.5	-46	0	0	0	114.8	R119 I121 R125	R119-H123 PolarHBondContact O-CD2 2.98Å; R119-H123 VanDerWaalsContact O-CD2 3.3Å; R119-H123 PolarHBondContact O-N 2.75Å; I121-H123 PolarHBondContact O-N 2.9Å; I121-H123 VanDerWaalsContact O-N 3.15Å; H123-R125 VanDerWaalsContact C-N 3.28Å; H123-R125 PolarHBondContact O-N 3.24Å
124	G	89.6	Confident	94	Very high	6 Å²	6	25.1 Å²	25.1	6%	0.062	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	27	-178.7	0	0	0	0	0	114.1	D120 I121 L127	D120-G124 PolarHBondContact O-N 3.1Å; I121-G124 PolarHBondContact O-N 3.31Å; G124-L127 WeakPolarHBondContact O-CD2 3.4Å
125	R	91.1	Very high	94.1	Very high	8 Å²	8	26.4 Å²	26.4	3%	0.03	14%	0.143	C	C	.	.			trans	-86.5	-36.5	173.9	170.6	174.2	161.7	149.7	5.9	111.6	Y97 D120 H123 V208 D209 I362 M363	Y97-R125 PolarHBondContact OH-NH2 2.99Å; D120-R125 HydrophobicContact CB-CB 4.07Å; D120-R125 HydrophobicContact CB-CG 4.15Å; D120-R125 WeakPolarHBondContact O-CA 3.31Å; D120-R125 WeakPolarHBondContact O-CB 3.36Å; D120-R125 PolarHBondContact O-N 3.41Å; D120-R125 WeakPolarHBondContact OD1-CD 3.42Å; D120-R125 IonicContact OD1-NE 2.71Å; D120-R125 IonicContact OD2-CZ 3.8Å; D120-R125 IonicContact OD2-NE 4Å; D120-R125 PolarHBondContact OD2-NE 2.88Å; H123-R125 VanDerWaalsContact C-N 3.28Å; H123-R125 PolarHBondContact O-N 3.24Å; R125-V208 WeakPolarHBondContact CG-O 3.27Å; R125-V208 VanDerWaalsContact CZ-O 3.28Å; R125-V208 PolarHBondContact NE-O 2.9Å; R125-V208 PolarHBondContact NH2-O 3.24Å; R125-D209 IonicContact CZ-OD1 3.45Å; R125-D209 IonicContact CZ-OD2 2.76Å; R125-D209 IonicContact NH1-OD1 2.65Å; R125-D209 PolarHBondContact NH1-OD1 3.07Å; R125-D209 IonicContact NH1-OD2 3.17Å; R125-D209 PolarHBondContact NH1-OD2 3.23Å; R125-D209 IonicContact NH2-OD2 2.77Å; R125-D209 PolarHBondContact NH2-OD2 3.06Å; R125-I362 HydrophobicContact CB-CD1 4.17Å; R125-M363 WeakPolarHBondContact O-CE 3.37Å
126	L	94	Very high	94.2	Very high	7 Å²	7	25.8 Å²	25.8	4%	0.037	14%	0.14	C	C	.	.	S	Bend	trans	-92.3	114.2	168.7	-168.6	64.8	0	0	0	108.7	L117 D120 I121 A200 L203	L117-L126 HydrophobicContact CD2-CD2 4.14Å; D120-L126 HydrophobicContact CB-CB 4.21Å; D120-L126 PolarHBondContact O-N 2.95Å; I121-L126 HydrophobicContact CD1-CD2 4.13Å; I121-L126 HydrophobicContact CG1-CB 3.98Å; I121-L126 HydrophobicContact CG1-CD2 3.72Å; I121-L126 HydrophobicContact CG1-CG 4.31Å; L126-A200 HydrophobicContact CD2-CB 4.1Å; L126-L203 HydrophobicContact CD1-CB 4.09Å; L126-L203 HydrophobicContact CD1-CD1 4.08Å; L126-L203 HydrophobicContact CD2-CD1 3.99Å; L126-L203 HydrophobicContact CG-CD1 3.84Å
127	L	91.6	Very high	94.1	Very high	23 Å²	23	25.8 Å²	25.8	12%	0.12	14%	0.14	C	C	.	.			trans	-88.6	111.8	-178.5	-52.5	-169.4	0	0	0	109.9	G124 T205 N236 M363 M365	G124-L127 WeakPolarHBondContact O-CD2 3.4Å; L127-T205 HydrophobicContact CB-CG2 4.42Å; L127-T205 WeakPolarHBondContact CB-OG1 3.27Å; L127-T205 HydrophobicContact CD1-CG2 4.06Å; L127-T205 HydrophobicContact CG-CG2 3.93Å; L127-T205 PolarHBondContact N-OG1 2.96Å; L127-N236 HydrophobicContact CD1-CB 4.19Å; L127-M363 HydrophobicContact CD1-CE 4.09Å; L127-M363 HydrophobicContact CD1-SD 4.11Å; L127-M363 HydrophobicContact CD2-CE 3.81Å; L127-M363 HydrophobicContact CG-CE 3.8Å; L127-M363 HydrophobicContact CG-SD 4.48Å; L127-M365 HydrophobicContact CB-CE 4.45Å; L127-M365 HydrophobicContact CD1-CE 4.28Å; L127-M365 HydrophobicContact CD2-CE 3.7Å; L127-M365 HydrophobicContact CG-CE 4.35Å
128	C	92.9	Very high	94.1	Very high	30 Å²	30	25.8 Å²	25.8	20%	0.203	14%	0.14	C	C	.	.			trans	-106.7	121.5	-176.8	-55	0	0	0	0	110.8	A133 L136 L203	C128-A133 HydrophobicContact CB-CB 3.74Å; C128-L136 HydrophobicContact CB-CD1 4.45Å; C128-L136 VanDerWaalsContact SG-CD1 3.59Å; C128-L203 HydrophobicContact CB-CD1 4.41Å
129	P	93.7	Very high	94.2	Very high	83 Å²	83	24.3 Å²	24.3	54%	0.539	13%	0.134	S	C	.	.			trans	-57.1	155.5	163.7	-23.4	34.3	0	0	0	111.4	A131 E132 A133	P129-A131 VanDerWaalsContact C-N 3.31Å; P129-A131 PolarHBondContact O-N 3.27Å; P129-A131 VanDerWaalsContact O-N 3.11Å; P129-E132 PolarHBondContact O-N 3.26Å; P129-A133 WeakPolarHBondContact O-CB 3.43Å; P129-A133 PolarHBondContact O-N 2.79Å
130	F	95.4	Very high	94.3	Very high	97 Å²	97	23.3 Å²	23.3	43%	0.425	13%	0.13	S	C	.	.	H	α-helix	trans	-50.8	-42.9	-170.6	178.7	-92.2	0	0	0	114.8	A134 K171 L172 K175	F130-A134 PolarHBondContact O-N 2.95Å; F130-K171 HydrophobicContact CE2-CD 4.43Å; F130-K171 HydrophobicContact CE2-CG 4.14Å; F130-K171 HydrophobicContact CZ-CD 4.35Å; F130-K171 HydrophobicContact CZ-CG 3.92Å; F130-L172 HydrophobicContact CD2-CD1 4.36Å; F130-L172 HydrophobicContact CE2-CB 4Å; F130-L172 HydrophobicContact CE2-CD1 4.11Å; F130-K175 HydrophobicContact CE1-CB 4.33Å; F130-K175 HydrophobicContact CE1-CG 4.31Å; F130-K175 HydrophobicContact CZ-CB 4.16Å
131	A	96.3	Very high	94.2	Very high	65 Å²	65	23 Å²	23	54%	0.537	13%	0.128	S	C	.	.	H	α-helix	trans	-66.8	-47.2	178.8	0	0	0	0	0	112.4	P129 A133 A134 Y135	P129-A131 VanDerWaalsContact C-N 3.31Å; P129-A131 PolarHBondContact O-N 3.27Å; P129-A131 VanDerWaalsContact O-N 3.11Å; A131-A133 VanDerWaalsContact C-N 3.33Å; A131-A133 PolarHBondContact O-N 2.62Å; A131-A134 PolarHBondContact O-N 3.5Å; A131-Y135 PolarHBondContact O-N 3.43Å
132	E	96.8	Very high	94.1	Very high	36 Å²	36	23 Å²	23	17%	0.168	13%	0.128	C	C	.	.	H	α-helix	trans	-66.1	-35.9	176.6	-61.1	-59.7	135.4	0	0	111.4	P129 Y135 L136 R199 L203	P129-E132 PolarHBondContact O-N 3.26Å; E132-Y135 PolarHBondContact O-N 2.7Å; E132-L136 HydrophobicContact CB-CD1 4.47Å; E132-L136 WeakPolarHBondContact O-CB 3.46Å; E132-L136 WeakPolarHBondContact O-CD1 3.45Å; E132-L136 WeakPolarHBondContact O-CG 3.26Å; E132-L136 PolarHBondContact O-N 3.09Å; E132-R199 IonicContact OE1-CZ 3.61Å; E132-R199 IonicContact OE1-NH1 3.57Å; E132-R199 PolarHBondContact OE1-NH1 3.36Å; E132-R199 WeakPolarHBondContact OE2-CD 3.47Å; E132-R199 IonicContact OE2-NH1 3.19Å; E132-R199 PolarHBondContact OE2-NH1 3.06Å; E132-L203 HydrophobicContact CB-CD2 4.27Å; E132-L203 HydrophobicContact CG-CD2 4.13Å
133	A	96.5	Very high	93.8	Very high	7 Å²	7	21.5 Å²	21.5	6%	0.058	12%	0.124	C	C	.	.	H	α-helix	trans	-61.9	-43.8	173.2	0	0	0	0	0	111.3	C128 P129 A131 G137 F165 L172	C128-A133 HydrophobicContact CB-CB 3.74Å; P129-A133 WeakPolarHBondContact O-CB 3.43Å; P129-A133 PolarHBondContact O-N 2.79Å; A131-A133 VanDerWaalsContact C-N 3.33Å; A131-A133 PolarHBondContact O-N 2.62Å; A133-G137 PolarHBondContact O-N 3.49Å; A133-F165 HydrophobicContact CB-CE1 3.84Å; A133-F165 HydrophobicContact CB-CZ 4.07Å; A133-F165 WeakPolarHBondContact O-CZ 3.19Å; A133-L172 HydrophobicContact CB-CD1 3.98Å
134	A	97.4	Very high	92.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-66.3	-42.5	178.1	0	0	0	0	0	112	F130 A131 G137 A138 L172 K175 I176 I179	F130-A134 PolarHBondContact O-N 2.95Å; A131-A134 PolarHBondContact O-N 3.5Å; A134-G137 PolarHBondContact O-N 2.84Å; A134-A138 PolarHBondContact O-N 2.75Å; A134-L172 HydrophobicContact CB-CD1 3.84Å; A134-K175 HydrophobicContact CB-CB 3.93Å; A134-K175 HydrophobicContact CB-CG 3.61Å; A134-I176 HydrophobicContact CB-CG1 4.38Å; A134-I176 WeakPolarHBondContact O-CG1 3.46Å; A134-I179 HydrophobicContact CB-CD1 3.67Å
135	Y	97.8	Very high	91.5	Very high	30 Å²	30	22.2 Å²	22.2	12%	0.118	13%	0.129	C	C	.	.	H	α-helix	trans	-67.7	-48.7	178.6	-172.2	-88	0	0	0	112.3	A131 E132 G137 A138 C139 I179 L184 R199	A131-Y135 PolarHBondContact O-N 3.43Å; E132-Y135 PolarHBondContact O-N 2.7Å; Y135-G137 VanDerWaalsContact C-N 3.27Å; Y135-G137 PolarHBondContact O-N 3.18Å; Y135-A138 PolarHBondContact O-N 2.88Å; Y135-A138 VanDerWaalsContact O-N 3.16Å; Y135-C139 WeakPolarHBondContact CE1-SG 3.46Å; Y135-C139 PolarHBondContact O-N 3.1Å; Y135-C139 PolarHBondContact O-SG 3.02Å; Y135-C139 VanDerWaalsContact O-SG 3.37Å; Y135-I179 HydrophobicContact CD2-CG2 3.89Å; Y135-I179 HydrophobicContact CE2-CG2 4.41Å; Y135-L184 HydrophobicContact CE2-CD2 4.28Å; Y135-R199 HydrophobicContact CD1-CG 3.59Å; Y135-R199 HydrophobicContact CE1-CG 3.56Å
136	L	96.8	Very high	90.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.5	-36	176.1	-68.3	166.9	0	0	0	111.8	I121 C128 E132 I140 M196 R199 A200 L203	I121-L136 HydrophobicContact CD1-CB 4.01Å; I121-L136 HydrophobicContact CD1-CD1 4.04Å; I121-L136 HydrophobicContact CD1-CG 4.49Å; C128-L136 HydrophobicContact CB-CD1 4.45Å; C128-L136 VanDerWaalsContact SG-CD1 3.59Å; E132-L136 HydrophobicContact CB-CD1 4.47Å; E132-L136 WeakPolarHBondContact O-CB 3.46Å; E132-L136 WeakPolarHBondContact O-CD1 3.45Å; E132-L136 WeakPolarHBondContact O-CG 3.26Å; E132-L136 PolarHBondContact O-N 3.09Å; L136-I140 VanDerWaalsContact O-CG1 3.3Å; L136-I140 WeakPolarHBondContact O-CG1 3.49Å; L136-I140 PolarHBondContact O-N 2.7Å; L136-M196 HydrophobicContact CD2-CB 4.28Å; L136-M196 HydrophobicContact CD2-CE 4.39Å; L136-M196 HydrophobicContact CD2-CG 3.41Å; L136-M196 VanDerWaalsContact CD2-CG 3.41Å; L136-M196 WeakPolarHBondContact CD2-O 3.41Å; L136-R199 HydrophobicContact CD2-CB 3.91Å; L136-R199 HydrophobicContact CG-CB 4.49Å; L136-A200 HydrophobicContact CD2-CB 4.25Å; L136-L203 HydrophobicContact CD1-CD1 3.93Å
137	G	95.4	Very high	90	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62	-47	172.7	0	0	0	0	0	112.3	A133 A134 Y135 I140 V141	A133-G137 PolarHBondContact O-N 3.49Å; A134-G137 PolarHBondContact O-N 2.84Å; Y135-G137 VanDerWaalsContact C-N 3.27Å; Y135-G137 PolarHBondContact O-N 3.18Å; G137-I140 PolarHBondContact O-N 2.93Å; G137-V141 VanDerWaalsContact O-CG2 3.3Å; G137-V141 WeakPolarHBondContact O-CG2 3.4Å; G137-V141 PolarHBondContact O-N 3.07Å
138	A	95.8	Very high	89.7	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-63.7	-41.8	176.9	0	0	0	0	0	112.1	A134 Y135 I140 V141 Q142 I176 I179 H180 L184	A134-A138 PolarHBondContact O-N 2.75Å; Y135-A138 PolarHBondContact O-N 2.88Å; Y135-A138 VanDerWaalsContact O-N 3.16Å; A138-I140 VanDerWaalsContact C-N 3.29Å; A138-I140 PolarHBondContact O-N 3.35Å; A138-V141 PolarHBondContact O-N 2.91Å; A138-Q142 PolarHBondContact O-N 2.77Å; A138-I176 HydrophobicContact CB-CG2 4.29Å; A138-I179 HydrophobicContact CB-CB 3.8Å; A138-I179 HydrophobicContact CB-CG2 3.53Å; A138-H180 HydrophobicContact CB-CB 4.22Å; A138-L184 HydrophobicContact CB-CD1 3.58Å; A138-L184 WeakPolarHBondContact O-CD1 3.4Å
139	C	95.6	Very high	89.5	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.7	-33	174.7	-65	0	0	0	0	112.9	Y135 A143 M196	Y135-C139 WeakPolarHBondContact CE1-SG 3.46Å; Y135-C139 PolarHBondContact O-N 3.1Å; Y135-C139 PolarHBondContact O-SG 3.02Å; Y135-C139 VanDerWaalsContact O-SG 3.37Å; C139-A143 WeakPolarHBondContact O-CB 3.35Å; C139-A143 PolarHBondContact O-N 3.21Å; C139-A143 VanDerWaalsContact O-N 3.11Å; C139-M196 HydrophobicContact CB-CB 3.91Å; C139-M196 HydrophobicContact CB-CG 4.38Å
140	I	93.9	Very high	89.2	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-65.3	-44.1	174.3	-71.7	162	0	0	0	110.9	Y114 K118 I121 L136 G137 A138 A143 A144 L164 M196	Y114-I140 HydrophobicContact CE2-CG1 4.49Å; K118-I140 HydrophobicContact CD-CB 4.43Å; K118-I140 HydrophobicContact CD-CD1 4.42Å; K118-I140 HydrophobicContact CD-CG1 4.15Å; K118-I140 HydrophobicContact CD-CG2 3.45Å; K118-I140 VanDerWaalsContact CD-CG2 3.45Å; K118-I140 HydrophobicContact CG-CD1 4.21Å; K118-I140 HydrophobicContact CG-CG1 4.38Å; K118-I140 HydrophobicContact CG-CG2 4.36Å; I121-I140 HydrophobicContact CD1-CD1 4.37Å; L136-I140 VanDerWaalsContact O-CG1 3.3Å; L136-I140 WeakPolarHBondContact O-CG1 3.49Å; L136-I140 PolarHBondContact O-N 2.7Å; G137-I140 PolarHBondContact O-N 2.93Å; A138-I140 VanDerWaalsContact C-N 3.29Å; A138-I140 PolarHBondContact O-N 3.35Å; I140-A143 PolarHBondContact O-N 2.86Å; I140-A144 WeakPolarHBondContact O-CB 3.34Å; I140-A144 PolarHBondContact O-N 2.95Å; I140-L164 HydrophobicContact CB-CD2 4.05Å; I140-L164 HydrophobicContact CD1-CD2 4.35Å; I140-L164 HydrophobicContact CG2-CD2 3.43Å; I140-L164 VanDerWaalsContact CG2-CD2 3.43Å; I140-M196 HydrophobicContact CD1-CE 3.77Å; I140-M196 HydrophobicContact CG1-CE 3.81Å; I140-M196 HydrophobicContact CG1-SD 3.95Å
141	V	92.3	Very high	88.8	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-64.9	-51.4	-177.4	175.4	0	0	0	0	111.1	G137 A138 A143 E145 L146 Y158 I159 L164 I176	G137-V141 VanDerWaalsContact O-CG2 3.3Å; G137-V141 WeakPolarHBondContact O-CG2 3.4Å; G137-V141 PolarHBondContact O-N 3.07Å; A138-V141 PolarHBondContact O-N 2.91Å; V141-A143 VanDerWaalsContact C-N 3.25Å; V141-A143 PolarHBondContact O-N 3.02Å; V141-E145 PolarHBondContact O-N 3.05Å; V141-L146 HydrophobicContact CG1-CB 4.4Å; V141-L146 HydrophobicContact CG1-CD1 3.63Å; V141-L146 HydrophobicContact CG1-CG 4.39Å; V141-L146 PolarHBondContact O-N 3.42Å; V141-Y158 HydrophobicContact CG1-CE2 4.19Å; V141-I159 HydrophobicContact CB-CD1 4.38Å; V141-I159 HydrophobicContact CG1-CD1 4.02Å; V141-I159 HydrophobicContact CG2-CD1 3.58Å; V141-L164 HydrophobicContact CG2-CD1 3.96Å; V141-I176 HydrophobicContact CG2-CG2 4.34Å
142	Q	92.2	Very high	88.3	Confident	3 Å²	3	33.2 Å²	33.2	1%	0.014	18%	0.181	C	C	.	.	H	α-helix	trans	-56.8	-38.7	175.1	-174.3	85.2	36.4	0	0	111.7	A138 G147 D148 H180 L184 Q187 A192	A138-Q142 PolarHBondContact O-N 2.77Å; Q142-G147 WeakPolarHBondContact CA-O 3.36Å; Q142-G147 PolarHBondContact NE2-O 3.16Å; Q142-G147 PolarHBondContact OE1-O 3.2Å; Q142-D148 PolarHBondContact NE2-OD1 3.43Å; Q142-H180 PolarHBondContact OE1-CD2 3.31Å; Q142-H180 PolarHBondContact OE1-NE2 3.08Å; Q142-L184 HydrophobicContact CB-CB 4.45Å; Q142-L184 HydrophobicContact CB-CD1 4.06Å; Q142-L184 HydrophobicContact CG-CB 4.16Å; Q142-L184 PolarHBondContact NE2-O 3.02Å; Q142-L184 PolarHBondContact OE1-O 3.08Å; Q142-Q187 HydrophobicContact CG-CB 4.41Å; Q142-Q187 PolarHBondContact NE2-O 3.04Å; Q142-A192 HydrophobicContact CB-CB 3.97Å; Q142-A192 HydrophobicContact CG-CB 3.74Å
143	A	86.8	Confident	87.7	Confident	8 Å²	8	38.4 Å²	38.4	7%	0.066	21%	0.205	C	C	.	.	H	α-helix	trans	-81.5	-34.7	-172.9	0	0	0	0	0	115.7	Y114 C139 I140 V141 A189 A192 E193	Y114-A143 HydrophobicContact CE2-CB 4Å; C139-A143 WeakPolarHBondContact O-CB 3.35Å; C139-A143 PolarHBondContact O-N 3.21Å; C139-A143 VanDerWaalsContact O-N 3.11Å; I140-A143 PolarHBondContact O-N 2.86Å; V141-A143 VanDerWaalsContact C-N 3.25Å; V141-A143 PolarHBondContact O-N 3.02Å; A143-A189 VanDerWaalsContact O-CB 3.27Å; A143-A189 WeakPolarHBondContact O-CB 3.32Å; A143-A192 HydrophobicContact CB-CB 3.92Å; A143-E193 HydrophobicContact CB-CG 4.02Å
144	A	67.6	Low	87.2	Confident	18 Å²	18	38.3 Å²	38.3	15%	0.149	20%	0.204	C	C	.	.	H	α-helix	trans	-120.7	-13.9	-163.2	0	0	0	0	0	115.9	Y114 I140	Y114-A144 WeakPolarHBondContact OH-CB 3.32Å; I140-A144 WeakPolarHBondContact O-CB 3.34Å; I140-A144 PolarHBondContact O-N 2.95Å
145	E	62.1	Low	86.6	Confident	51 Å²	51	42 Å²	42	24%	0.238	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.8	-45.2	-161.7	-44.7	-62.9	151.1	0	0	113.1	K118 V141 F162 F347	K118-E145 IonicContact NZ-OE1 3.37Å; K118-E145 PolarHBondContact NZ-OE1 3.43Å; V141-E145 PolarHBondContact O-N 3.05Å; E145-F162 HydrophobicContact CB-CD1 4.27Å; E145-F162 HydrophobicContact CB-CE1 3.51Å; E145-F162 HydrophobicContact CB-CZ 3.93Å; E145-F162 HydrophobicContact CG-CD1 3.8Å; E145-F162 HydrophobicContact CG-CE1 3.52Å; E145-F162 HydrophobicContact CG-CZ 4.38Å; E145-F347 WeakPolarHBondContact OE1-CD2 3.27Å; E145-F347 WeakPolarHBondContact OE1-CG 3.32Å; E145-F347 WeakPolarHBondContact OE2-CD1 3.29Å; E145-F347 WeakPolarHBondContact OE2-CE1 3.49Å; E145-F347 VanDerWaalsContact OE2-CG 3.27Å; E145-F347 WeakPolarHBondContact OE2-CG 3.11Å
146	L	70.1	Confident	85.9	Confident	54 Å²	54	46 Å²	46	28%	0.283	26%	0.26	S	S	.	.			trans	-131.7	-20.7	-162	-66.2	170.7	0	0	0	115.3	V141 D148 H154 Y158 F162	V141-L146 HydrophobicContact CG1-CB 4.4Å; V141-L146 HydrophobicContact CG1-CD1 3.63Å; V141-L146 HydrophobicContact CG1-CG 4.39Å; V141-L146 PolarHBondContact O-N 3.42Å; L146-D148 PolarHBondContact O-N 3.09Å; L146-H154 WeakPolarHBondContact CB-NE2 3.33Å; L146-H154 VanDerWaalsContact CD1-CD2 3.48Å; L146-H154 WeakPolarHBondContact CD1-CD2 3.44Å; L146-H154 WeakPolarHBondContact CD1-NE2 3.3Å; L146-Y158 HydrophobicContact CD1-CD2 3.72Å; L146-Y158 HydrophobicContact CD1-CE2 3.88Å; L146-F162 HydrophobicContact CD1-CE2 3.74Å; L146-F162 HydrophobicContact CD1-CZ 3.82Å; L146-F162 HydrophobicContact CD2-CZ 4.36Å; L146-F162 HydrophobicContact CG-CZ 4.1Å
147	G	82.7	Confident	85.4	Confident	33 Å²	33	49.7 Å²	49.7	34%	0.34	28%	0.279	S	S	.	.	S	Bend	trans	70.6	-126	-172.4	0	0	0	0	0	111.2	Q142 H180	Q142-G147 WeakPolarHBondContact CA-O 3.36Å; Q142-G147 PolarHBondContact NE2-O 3.16Å; Q142-G147 PolarHBondContact OE1-O 3.2Å; G147-H180 PolarHBondContact O-NE2 3.13Å; G147-H180 VanDerWaalsContact O-NE2 3.14Å
148	D	86.4	Confident	85.1	Confident	63 Å²	63	50.4 Å²	50.4	34%	0.337	28%	0.282	S	S	.	.	S	Bend	trans	-83	146.1	177.4	-95.3	6.7	0	0	0	112.1	Q142 L146 D150 R185 G186	Q142-D148 PolarHBondContact NE2-OD1 3.43Å; L146-D148 PolarHBondContact O-N 3.09Å; D148-D150 PolarHBondContact O-N 2.98Å; D148-D150 VanDerWaalsContact O-N 3.15Å; D148-R185 WeakPolarHBondContact OD1-CA 3.42Å; D148-R185 WeakPolarHBondContact OD2-CG 3.4Å; D148-G186 VanDerWaalsContact CG-N 3.25Å; D148-G186 PolarHBondContact OD1-N 2.88Å; D148-G186 PolarHBondContact OD2-N 3.34Å
149	Y	87.8	Confident	84.8	Confident	45 Å²	45	50.4 Å²	50.4	18%	0.176	28%	0.282	C	S	.	.			trans	-63.6	113.7	173.1	172.1	-92.4	0	0	0	112.3	P151 H154 Y158 K181	Y149-P151 HydrophobicContact CE1-CG 4.01Å; Y149-H154 HydrophobicContact CD2-CB 3.67Å; Y149-H154 AromaticContact CD2-CG 3.83Å; Y149-H154 HydrophobicContact CE2-CB 3.38Å; Y149-Y158 HydrophobicContact CD2-CE1 4.11Å; Y149-Y158 AromaticContact CD2-CZ 3.95Å; Y149-Y158 AromaticContact CE2-CE1 3.96Å; Y149-Y158 HydrophobicContact CE2-CE1 3.96Å; Y149-K181 HydrophobicContact CD1-CB 4Å; Y149-K181 HydrophobicContact CD1-CD 3.77Å; Y149-K181 HydrophobicContact CD1-CG 3.55Å; Y149-K181 HydrophobicContact CE1-CB 4.5Å; Y149-K181 HydrophobicContact CE1-CD 3.47Å; Y149-K181 VanDerWaalsContact CE1-CD 3.47Å; Y149-K181 VanDerWaalsContact CE1-CE 3.4Å; Y149-K181 HydrophobicContact CE1-CG 3.84Å; Y149-K181 HydrophobicContact CG-CB 4.07Å; Y149-K181 HydrophobicContact CG-CG 4.15Å; Y149-K181 PolarHBondContact OH-NZ 3.35Å
150	D	87.1	Confident	84.5	Confident	69 Å²	69	57.4 Å²	57.4	37%	0.369	31%	0.309	S	S	.	.			trans	-103	124.3	169.9	-166.7	-57.1	0	0	0	111.4	D148 E152 E153 H154	D148-D150 PolarHBondContact O-N 2.98Å; D148-D150 VanDerWaalsContact O-N 3.15Å; D150-E152 PolarHBondContact O-N 3.1Å; D150-E152 WeakPolarHBondContact OD1-CB 3.43Å; D150-E152 PolarHBondContact OD1-N 2.88Å; D150-E153 HydrophobicContact CB-CB 4.4Å; D150-E153 HydrophobicContact CB-CG 4.47Å; D150-E153 PolarHBondContact O-N 2.7Å; D150-H154 PolarHBondContact N-CE1 3.33Å; D150-H154 PolarHBondContact N-ND1 2.83Å; D150-H154 VanDerWaalsContact N-ND1 3.12Å; D150-H154 WeakPolarHBondContact O-CB 3.42Å; D150-H154 VanDerWaalsContact O-CG 3.31Å; D150-H154 PolarHBondContact O-N 2.62Å; D150-H154 VanDerWaalsContact O-N 3.08Å; D150-H154 PolarHBondContact O-ND1 3.5Å
151	P	86.7	Confident	84.1	Confident	93 Å²	93	64 Å²	64	60%	0.604	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-24.6	177.5	-22.8	33	0	0	0	116.5	Y149	Y149-P151 HydrophobicContact CE1-CG 4.01Å
152	E	86.2	Confident	83.8	Confident	186 Å²	186	66.1 Å²	66.1	87%	0.869	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-37.5	-177.5	-59.8	-169.2	-175.1	0	0	111.8	D150	D150-E152 PolarHBondContact O-N 3.1Å; D150-E152 WeakPolarHBondContact OD1-CB 3.43Å; D150-E152 PolarHBondContact OD1-N 2.88Å
153	E	83.7	Confident	83.5	Confident	146 Å²	146	73.2 Å²	73.2	68%	0.682	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-21.9	177.6	-59.3	-165.1	149.2	0	0	113.7	D150 P155	D150-E153 HydrophobicContact CB-CB 4.4Å; D150-E153 HydrophobicContact CB-CG 4.47Å; D150-E153 PolarHBondContact O-N 2.7Å; E153-P155 WeakPolarHBondContact O-CD 3.35Å
154	H	85.9	Confident	83.7	Confident	5 Å²	5	73.4 Å²	73.4	2%	0.023	38%	0.384	C	S	.	.			trans	-111.3	85.9	-169.4	-60.8	82.7	0	0	0	113.3	L146 Y149 D150 Y158	L146-H154 WeakPolarHBondContact CB-NE2 3.33Å; L146-H154 VanDerWaalsContact CD1-CD2 3.48Å; L146-H154 WeakPolarHBondContact CD1-CD2 3.44Å; L146-H154 WeakPolarHBondContact CD1-NE2 3.3Å; Y149-H154 HydrophobicContact CD2-CB 3.67Å; Y149-H154 AromaticContact CD2-CG 3.83Å; Y149-H154 HydrophobicContact CE2-CB 3.38Å; D150-H154 PolarHBondContact N-CE1 3.33Å; D150-H154 PolarHBondContact N-ND1 2.83Å; D150-H154 VanDerWaalsContact N-ND1 3.12Å; D150-H154 WeakPolarHBondContact O-CB 3.42Å; D150-H154 VanDerWaalsContact O-CG 3.31Å; D150-H154 PolarHBondContact O-N 2.62Å; D150-H154 VanDerWaalsContact O-N 3.08Å; D150-H154 PolarHBondContact O-ND1 3.5Å; H154-Y158 HydrophobicContact CB-CD1 4.02Å; H154-Y158 HydrophobicContact CB-CE1 4.13Å; H154-Y158 HydrophobicContact CB-CG 4.2Å; H154-Y158 AromaticContact CD2-CD2 3.58Å; H154-Y158 AromaticContact CD2-CE2 3.57Å
155	P	84.8	Confident	84.9	Confident	78 Å²	78	73.7 Å²	73.7	51%	0.506	38%	0.382	S	S	.	.			trans	-63.2	161	175.9	28.7	-37.1	0	0	0	111.9	E153 D157 Y158	E153-P155 WeakPolarHBondContact O-CD 3.35Å; P155-D157 PolarHBondContact O-N 3.45Å; P155-Y158 WeakPolarHBondContact O-CD1 3.31Å; P155-Y158 PolarHBondContact O-N 3.39Å
156	S	83.2	Confident	86.1	Confident	114 Å²	114	73.4 Å²	73.4	80%	0.797	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-2.7	-165.8	58.7	0	0	0	0	117.6	M177	S156-M177 VanDerWaalsContact O-CE 3.3Å; S156-M177 WeakPolarHBondContact O-CE 2.99Å
157	D	87.3	Confident	86.9	Confident	76 Å²	76	75.6 Å²	75.6	41%	0.406	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.1	19.2	170.7	71.5	-32.8	0	0	0	115.2	P155 I159 R160	P155-D157 PolarHBondContact O-N 3.45Å; D157-I159 PolarHBondContact O-N 3.38Å; D157-R160 WeakPolarHBondContact O-CB 3.32Å; D157-R160 PolarHBondContact O-N 3.1Å; D157-R160 WeakPolarHBondContact OD2-CD 3.35Å; D157-R160 IonicContact OD2-CZ 3.44Å; D157-R160 IonicContact OD2-NH1 2.79Å; D157-R160 PolarHBondContact OD2-NH1 2.75Å
158	Y	88.1	Confident	87.2	Confident	15 Å²	15	76.1 Å²	76.1	6%	0.059	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-47.5	-34	-176	71.5	-80.5	0	0	0	116.3	V141 L146 Y149 H154 P155 R160 D161 F162 M177 H180	V141-Y158 HydrophobicContact CG1-CE2 4.19Å; L146-Y158 HydrophobicContact CD1-CD2 3.72Å; L146-Y158 HydrophobicContact CD1-CE2 3.88Å; Y149-Y158 HydrophobicContact CD2-CE1 4.11Å; Y149-Y158 AromaticContact CD2-CZ 3.95Å; Y149-Y158 AromaticContact CE2-CE1 3.96Å; Y149-Y158 HydrophobicContact CE2-CE1 3.96Å; H154-Y158 HydrophobicContact CB-CD1 4.02Å; H154-Y158 HydrophobicContact CB-CE1 4.13Å; H154-Y158 HydrophobicContact CB-CG 4.2Å; H154-Y158 AromaticContact CD2-CD2 3.58Å; H154-Y158 AromaticContact CD2-CE2 3.57Å; P155-Y158 WeakPolarHBondContact O-CD1 3.31Å; P155-Y158 PolarHBondContact O-N 3.39Å; Y158-R160 PolarHBondContact O-N 2.84Å; Y158-R160 VanDerWaalsContact O-N 3.11Å; Y158-D161 PolarHBondContact O-N 3.29Å; Y158-F162 HydrophobicContact CD2-CE2 4.46Å; Y158-F162 VanDerWaalsContact O-CD2 3.3Å; Y158-F162 WeakPolarHBondContact O-CD2 3.22Å; Y158-M177 HydrophobicContact CD1-CG 4.03Å; Y158-M177 HydrophobicContact CD1-SD 3.56Å; Y158-M177 VanDerWaalsContact CD1-SD 3.56Å; Y158-M177 HydrophobicContact CE1-CB 4.09Å; Y158-M177 HydrophobicContact CE1-CG 3.39Å; Y158-M177 HydrophobicContact CE1-SD 3.45Å; Y158-M177 WeakPolarHBondContact CE1-SD 3.44Å; Y158-H180 AromaticContact CE2-ND1 3.76Å; Y158-H180 AromaticContact CZ-ND1 3.69Å; Y158-H180 PolarHBondContact OH-ND1 3.11Å
159	I	90.8	Very high	87.6	Confident	1 Å²	1	75.8 Å²	75.8	1%	0.005	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-61	-21	178.2	-62.4	-60.2	0	0	0	113.1	V141 D157 D161 F162 L164 Q168 E173 I176 M177	V141-I159 HydrophobicContact CB-CD1 4.38Å; V141-I159 HydrophobicContact CG1-CD1 4.02Å; V141-I159 HydrophobicContact CG2-CD1 3.58Å; D157-I159 PolarHBondContact O-N 3.38Å; I159-D161 VanDerWaalsContact C-N 3.34Å; I159-D161 PolarHBondContact O-N 3.29Å; I159-F162 PolarHBondContact O-N 2.77Å; I159-L164 HydrophobicContact CG2-CD1 4.24Å; I159-Q168 PolarHBondContact O-NE2 3.01Å; I159-Q168 VanDerWaalsContact O-NE2 3.1Å; I159-E173 HydrophobicContact CB-CB 4.34Å; I159-E173 HydrophobicContact CG2-CB 4.08Å; I159-E173 HydrophobicContact CG2-CG 3.98Å; I159-I176 HydrophobicContact CD1-CG2 3.6Å; I159-I176 HydrophobicContact CG1-CB 4.46Å; I159-I176 HydrophobicContact CG1-CG2 3.85Å; I159-I176 HydrophobicContact CG2-CB 4.25Å; I159-I176 HydrophobicContact CG2-CD1 4.1Å; I159-I176 HydrophobicContact CG2-CG2 3.95Å; I159-M177 HydrophobicContact CB-CG 4.22Å; I159-M177 HydrophobicContact CD1-CG 4.38Å; I159-M177 HydrophobicContact CG1-CG 3.29Å; I159-M177 HydrophobicContact CG1-SD 4.14Å
160	R	88.1	Confident	87.9	Confident	146 Å²	146	78.6 Å²	78.6	55%	0.551	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-65	-32.3	-176.1	-170.2	-179.5	-171.8	178.7	0.2	114.3	D157 Y158	D157-R160 WeakPolarHBondContact O-CB 3.32Å; D157-R160 PolarHBondContact O-N 3.1Å; D157-R160 WeakPolarHBondContact OD2-CD 3.35Å; D157-R160 IonicContact OD2-CZ 3.44Å; D157-R160 IonicContact OD2-NH1 2.79Å; D157-R160 PolarHBondContact OD2-NH1 2.75Å; Y158-R160 PolarHBondContact O-N 2.84Å; Y158-R160 VanDerWaalsContact O-N 3.11Å
161	D	85.5	Confident	88.3	Confident	141 Å²	141	82.4 Å²	82.4	75%	0.754	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-29	177.2	-73.2	-43.8	0	0	0	111.8	Y158 I159 K163	Y158-D161 PolarHBondContact O-N 3.29Å; I159-D161 VanDerWaalsContact C-N 3.34Å; I159-D161 PolarHBondContact O-N 3.29Å; D161-K163 PolarHBondContact O-N 2.95Å
162	F	86.1	Confident	88.8	Confident	44 Å²	44	78.5 Å²	78.5	19%	0.193	39%	0.393	C	S	.	.	S	Bend	trans	-77	101.5	171.8	-56.3	-77.6	0	0	0	110.1	E145 L146 Y158 I159 L164 Q168	E145-F162 HydrophobicContact CB-CD1 4.27Å; E145-F162 HydrophobicContact CB-CE1 3.51Å; E145-F162 HydrophobicContact CB-CZ 3.93Å; E145-F162 HydrophobicContact CG-CD1 3.8Å; E145-F162 HydrophobicContact CG-CE1 3.52Å; E145-F162 HydrophobicContact CG-CZ 4.38Å; L146-F162 HydrophobicContact CD1-CE2 3.74Å; L146-F162 HydrophobicContact CD1-CZ 3.82Å; L146-F162 HydrophobicContact CD2-CZ 4.36Å; L146-F162 HydrophobicContact CG-CZ 4.1Å; Y158-F162 HydrophobicContact CD2-CE2 4.46Å; Y158-F162 VanDerWaalsContact O-CD2 3.3Å; Y158-F162 WeakPolarHBondContact O-CD2 3.22Å; I159-F162 PolarHBondContact O-N 2.77Å; F162-L164 VanDerWaalsContact C-N 3.27Å; F162-L164 HydrophobicContact CB-CD1 4.38Å; F162-L164 HydrophobicContact CB-CD2 4.17Å; F162-L164 HydrophobicContact CB-CG 3.98Å; F162-L164 PolarHBondContact O-N 3.23Å; F162-Q168 PolarHBondContact O-NE2 3.03Å; F162-Q168 PolarHBondContact O-OE1 3.08Å; F162-Q168 VanDerWaalsContact O-OE1 3.07Å
163	K	86.9	Confident	89.2	Confident	151 Å²	151	70.6 Å²	70.6	66%	0.657	36%	0.356	S	S	*	.			trans	-77	77.5	175.3	-64.8	175.9	-175.8	171.6	0	110	Y122 D161	Y122-K163 WeakPolarHBondContact CD2-O 3.33Å; Y122-K163 HydrophobicContact CE2-CB 4.15Å; Y122-K163 WeakPolarHBondContact CE2-O 3.49Å; D161-K163 PolarHBondContact O-N 2.95Å
164	L	90.5	Very high	89.8	Confident	13 Å²	13	71.3 Å²	71.3	7%	0.068	35%	0.352	C	S	.	.			trans	-80.4	-38.3	-174.4	-60.3	170.1	0	0	0	112.4	I140 V141 I159 F162 I176	I140-L164 HydrophobicContact CB-CD2 4.05Å; I140-L164 HydrophobicContact CD1-CD2 4.35Å; I140-L164 HydrophobicContact CG2-CD2 3.43Å; I140-L164 VanDerWaalsContact CG2-CD2 3.43Å; V141-L164 HydrophobicContact CG2-CD1 3.96Å; I159-L164 HydrophobicContact CG2-CD1 4.24Å; F162-L164 VanDerWaalsContact C-N 3.27Å; F162-L164 HydrophobicContact CB-CD1 4.38Å; F162-L164 HydrophobicContact CB-CD2 4.17Å; F162-L164 HydrophobicContact CB-CG 3.98Å; F162-L164 PolarHBondContact O-N 3.23Å; L164-I176 HydrophobicContact CD1-CD1 4.04Å
165	F	91.8	Very high	90.4	Very high	24 Å²	24	73.7 Å²	73.7	11%	0.105	36%	0.363	C	S	.	.	S	Bend	trans	-125.8	148.8	-172.5	-63.6	-90	0	0	0	113.5	I121 A133 K167 Q168 L172 I176	I121-F165 HydrophobicContact CG2-CD1 3.46Å; I121-F165 VanDerWaalsContact CG2-CD1 3.46Å; I121-F165 HydrophobicContact CG2-CE1 3.21Å; I121-F165 HydrophobicContact CG2-CG 4.29Å; I121-F165 HydrophobicContact CG2-CZ 3.86Å; A133-F165 HydrophobicContact CB-CE1 3.84Å; A133-F165 HydrophobicContact CB-CZ 4.07Å; A133-F165 WeakPolarHBondContact O-CZ 3.19Å; F165-K167 PolarHBondContact O-N 3.46Å; F165-K167 VanDerWaalsContact O-N 3.13Å; F165-Q168 HydrophobicContact CB-CB 4.35Å; F165-Q168 PolarHBondContact O-N 2.87Å; F165-L172 HydrophobicContact CB-CD2 4.49Å; F165-L172 HydrophobicContact CD2-CD2 3.77Å; F165-L172 HydrophobicContact CE2-CD2 4.21Å; F165-L172 HydrophobicContact CG-CD2 4.04Å; F165-I176 HydrophobicContact CD2-CD1 4.49Å; F165-I176 HydrophobicContact CE2-CD1 4.01Å
166	P	87.9	Confident	90.9	Very high	45 Å²	45	70 Å²	70	29%	0.292	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-27.1	173.8	-20.6	25.6	0	0	0	114.7	I121 Y122 L361	I121-P166 WeakPolarHBondContact O-CD 3.15Å; Y122-P166 WeakPolarHBondContact O-CG 3.21Å; P166-L361 HydrophobicContact CB-CD2 4.29Å
167	K	87.1	Confident	91.5	Very high	100 Å²	100	66.1 Å²	66.1	44%	0.435	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.4	57.7	179.6	-67.9	-169.8	173.3	-174.4	0	110.3	F165 M365	F165-K167 PolarHBondContact O-N 3.46Å; F165-K167 VanDerWaalsContact O-N 3.13Å; K167-M365 PolarHBondContact NZ-O 2.96Å
168	Q	89.1	Confident	91.9	Very high	43 Å²	43	66.9 Å²	66.9	20%	0.201	31%	0.31	C	S	.	.			trans	-64.1	139.2	171.1	-162.4	162.3	-58.6	0	0	110	I159 F162 F165 E173	I159-Q168 PolarHBondContact O-NE2 3.01Å; I159-Q168 VanDerWaalsContact O-NE2 3.1Å; F162-Q168 PolarHBondContact O-NE2 3.03Å; F162-Q168 PolarHBondContact O-OE1 3.08Å; F162-Q168 VanDerWaalsContact O-OE1 3.07Å; F165-Q168 HydrophobicContact CB-CB 4.35Å; F165-Q168 PolarHBondContact O-N 2.87Å; Q168-E173 HydrophobicContact CG-CG 3.63Å; Q168-E173 WeakPolarHBondContact CG-OE1 3.5Å; Q168-E173 PolarHBondContact NE2-OE1 3.33Å
169	S	94.1	Very high	92.3	Very high	57 Å²	57	66.5 Å²	66.5	40%	0.399	31%	0.308	S	S	.	.			trans	-142.2	150.5	-176.1	66.1	0	0	0	0	110.5	K171 L172 E173	S169-K171 PolarHBondContact O-N 3.35Å; S169-L172 WeakPolarHBondContact O-CA 3.27Å; S169-L172 WeakPolarHBondContact O-CB 3.4Å; S169-L172 PolarHBondContact O-N 3.49Å; S169-E173 WeakPolarHBondContact O-CG 3.48Å; S169-E173 PolarHBondContact O-N 3.05Å
170	L	94.8	Very high	92.5	Very high	104 Å²	104	66.4 Å²	66.4	55%	0.545	31%	0.308	S	S	.	.	H	α-helix	trans	-51.7	-30.8	-178.3	-57.6	174.2	0	0	0	113.5	E173 R174	L170-E173 WeakPolarHBondContact CA-OE2 3.3Å; L170-E173 WeakPolarHBondContact CD2-OE2 3.39Å; L170-R174 VanDerWaalsContact O-CG 3.22Å; L170-R174 WeakPolarHBondContact O-CG 3.25Å; L170-R174 PolarHBondContact O-N 3.47Å; L170-R174 PolarHBondContact O-NE 3.08Å
171	K	96.4	Very high	92.8	Very high	149 Å²	149	64 Å²	64	65%	0.648	30%	0.301	S	S	*	.	H	α-helix	trans	-72.4	-39.2	175.6	-173.4	179.7	176.7	177	0	112.4	F130 S169 K175	F130-K171 HydrophobicContact CE2-CD 4.43Å; F130-K171 HydrophobicContact CE2-CG 4.14Å; F130-K171 HydrophobicContact CZ-CD 4.35Å; F130-K171 HydrophobicContact CZ-CG 3.92Å; S169-K171 PolarHBondContact O-N 3.35Å; K171-K175 PolarHBondContact O-N 3.44Å
172	L	96	Very high	93.2	Very high	10 Å²	10	62.4 Å²	62.4	5%	0.052	29%	0.293	C	S	.	.	H	α-helix	trans	-69.3	-45.4	175.2	179	59.6	0	0	0	110.6	F130 A133 A134 F165 S169 R174 K175 I176	F130-L172 HydrophobicContact CD2-CD1 4.36Å; F130-L172 HydrophobicContact CE2-CB 4Å; F130-L172 HydrophobicContact CE2-CD1 4.11Å; A133-L172 HydrophobicContact CB-CD1 3.98Å; A134-L172 HydrophobicContact CB-CD1 3.84Å; F165-L172 HydrophobicContact CB-CD2 4.49Å; F165-L172 HydrophobicContact CD2-CD2 3.77Å; F165-L172 HydrophobicContact CE2-CD2 4.21Å; F165-L172 HydrophobicContact CG-CD2 4.04Å; S169-L172 WeakPolarHBondContact O-CA 3.27Å; S169-L172 WeakPolarHBondContact O-CB 3.4Å; S169-L172 PolarHBondContact O-N 3.49Å; L172-R174 PolarHBondContact O-N 2.79Å; L172-K175 PolarHBondContact O-N 3.22Å; L172-K175 VanDerWaalsContact O-N 3.11Å; L172-I176 HydrophobicContact CD1-CD1 4.25Å; L172-I176 HydrophobicContact CD1-CG1 4.35Å; L172-I176 HydrophobicContact CG-CD1 3.9Å; L172-I176 HydrophobicContact CG-CG1 4.45Å; L172-I176 WeakPolarHBondContact O-CG1 3.41Å; L172-I176 PolarHBondContact O-N 2.8Å
173	E	95.7	Very high	93.6	Very high	21 Å²	21	64.8 Å²	64.8	10%	0.098	31%	0.305	C	S	.	.	H	α-helix	trans	-58	-46	179	-64.8	172	149.5	0	0	111.5	I159 Q168 S169 L170 K175 I176 M177	I159-E173 HydrophobicContact CB-CB 4.34Å; I159-E173 HydrophobicContact CG2-CB 4.08Å; I159-E173 HydrophobicContact CG2-CG 3.98Å; Q168-E173 HydrophobicContact CG-CG 3.63Å; Q168-E173 WeakPolarHBondContact CG-OE1 3.5Å; Q168-E173 PolarHBondContact NE2-OE1 3.33Å; S169-E173 WeakPolarHBondContact O-CG 3.48Å; S169-E173 PolarHBondContact O-N 3.05Å; L170-E173 WeakPolarHBondContact CA-OE2 3.3Å; L170-E173 WeakPolarHBondContact CD2-OE2 3.39Å; E173-K175 PolarHBondContact O-N 3.23Å; E173-I176 WeakPolarHBondContact O-CB 3.18Å; E173-I176 PolarHBondContact O-N 3.19Å; E173-M177 WeakPolarHBondContact O-CG 3.43Å; E173-M177 PolarHBondContact O-N 3.14Å
174	R	96.1	Very high	93.9	Very high	161 Å²	161	57.6 Å²	57.6	61%	0.608	27%	0.273	S	S	*	.	H	α-helix	trans	-58.4	-42.5	173.9	-71.6	172.8	-150.2	166.9	4.2	113.3	L170 L172 M177 E178	L170-R174 VanDerWaalsContact O-CG 3.22Å; L170-R174 WeakPolarHBondContact O-CG 3.25Å; L170-R174 PolarHBondContact O-N 3.47Å; L170-R174 PolarHBondContact O-NE 3.08Å; L172-R174 PolarHBondContact O-N 2.79Å; R174-M177 HydrophobicContact CB-CE 4.49Å; R174-M177 HydrophobicContact CG-CE 4.13Å; R174-M177 PolarHBondContact O-N 2.88Å; R174-E178 WeakPolarHBondContact O-CB 3.45Å; R174-E178 PolarHBondContact O-N 2.8Å
175	K	97.6	Very high	93.9	Very high	55 Å²	55	66.1 Å²	66.1	24%	0.239	31%	0.305	C	S	.	.	H	α-helix	trans	-74	-29	179.7	-170.6	52.3	-179.9	153.3	0	112.2	F130 A134 K171 L172 E173 E178 I179 E183	F130-K175 HydrophobicContact CE1-CB 4.33Å; F130-K175 HydrophobicContact CE1-CG 4.31Å; F130-K175 HydrophobicContact CZ-CB 4.16Å; A134-K175 HydrophobicContact CB-CB 3.93Å; A134-K175 HydrophobicContact CB-CG 3.61Å; K171-K175 PolarHBondContact O-N 3.44Å; L172-K175 PolarHBondContact O-N 3.22Å; L172-K175 VanDerWaalsContact O-N 3.11Å; E173-K175 PolarHBondContact O-N 3.23Å; K175-E178 HydrophobicContact CD-CB 4.24Å; K175-E178 HydrophobicContact CD-CG 4.48Å; K175-E178 WeakPolarHBondContact CD-OE2 3.46Å; K175-E178 IonicContact NZ-OE1 2.67Å; K175-E178 PolarHBondContact NZ-OE1 3.42Å; K175-E178 IonicContact NZ-OE2 3.56Å; K175-I179 HydrophobicContact CD-CD1 4.26Å; K175-I179 HydrophobicContact CD-CG1 4.23Å; K175-I179 HydrophobicContact CG-CD1 4.06Å; K175-I179 WeakPolarHBondContact O-CD1 3.39Å; K175-I179 WeakPolarHBondContact O-CG1 3.24Å; K175-I179 PolarHBondContact O-N 2.88Å; K175-I179 VanDerWaalsContact O-N 3.07Å; K175-E183 IonicContact NZ-OE1 3.73Å
176	I	96.3	Very high	93.8	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-61.4	-49.3	167.8	-69.2	167	0	0	0	110	A134 A138 V141 I159 L164 F165 L172 E173 E178 I179 H180	A134-I176 HydrophobicContact CB-CG1 4.38Å; A134-I176 WeakPolarHBondContact O-CG1 3.46Å; A138-I176 HydrophobicContact CB-CG2 4.29Å; V141-I176 HydrophobicContact CG2-CG2 4.34Å; I159-I176 HydrophobicContact CD1-CG2 3.6Å; I159-I176 HydrophobicContact CG1-CB 4.46Å; I159-I176 HydrophobicContact CG1-CG2 3.85Å; I159-I176 HydrophobicContact CG2-CB 4.25Å; I159-I176 HydrophobicContact CG2-CD1 4.1Å; I159-I176 HydrophobicContact CG2-CG2 3.95Å; L164-I176 HydrophobicContact CD1-CD1 4.04Å; F165-I176 HydrophobicContact CD2-CD1 4.49Å; F165-I176 HydrophobicContact CE2-CD1 4.01Å; L172-I176 HydrophobicContact CD1-CD1 4.25Å; L172-I176 HydrophobicContact CD1-CG1 4.35Å; L172-I176 HydrophobicContact CG-CD1 3.9Å; L172-I176 HydrophobicContact CG-CG1 4.45Å; L172-I176 WeakPolarHBondContact O-CG1 3.41Å; L172-I176 PolarHBondContact O-N 2.8Å; E173-I176 WeakPolarHBondContact O-CB 3.18Å; E173-I176 PolarHBondContact O-N 3.19Å; I176-E178 VanDerWaalsContact C-N 3.34Å; I176-E178 PolarHBondContact O-N 3.46Å; I176-I179 PolarHBondContact O-N 3.38Å; I176-H180 WeakPolarHBondContact O-CB 3.43Å; I176-H180 PolarHBondContact O-N 3.21Å
177	M	95.2	Very high	94	Very high	32 Å²	32	67.5 Å²	67.5	16%	0.158	33%	0.325	C	S	.	.	H	α-helix	trans	-60.7	-41.2	178.3	-67.3	-172	-74.5	0	0	112.8	S156 Y158 I159 E173 R174 K181	S156-M177 VanDerWaalsContact O-CE 3.3Å; S156-M177 WeakPolarHBondContact O-CE 2.99Å; Y158-M177 HydrophobicContact CD1-CG 4.03Å; Y158-M177 HydrophobicContact CD1-SD 3.56Å; Y158-M177 VanDerWaalsContact CD1-SD 3.56Å; Y158-M177 HydrophobicContact CE1-CB 4.09Å; Y158-M177 HydrophobicContact CE1-CG 3.39Å; Y158-M177 HydrophobicContact CE1-SD 3.45Å; Y158-M177 WeakPolarHBondContact CE1-SD 3.44Å; I159-M177 HydrophobicContact CB-CG 4.22Å; I159-M177 HydrophobicContact CD1-CG 4.38Å; I159-M177 HydrophobicContact CG1-CG 3.29Å; I159-M177 HydrophobicContact CG1-SD 4.14Å; E173-M177 WeakPolarHBondContact O-CG 3.43Å; E173-M177 PolarHBondContact O-N 3.14Å; R174-M177 HydrophobicContact CB-CE 4.49Å; R174-M177 HydrophobicContact CG-CE 4.13Å; R174-M177 PolarHBondContact O-N 2.88Å; M177-K181 VanDerWaalsContact O-CB 3.27Å; M177-K181 WeakPolarHBondContact O-CB 3.4Å; M177-K181 PolarHBondContact O-N 2.94Å
178	E	95.8	Very high	94.2	Very high	93 Å²	93	66.7 Å²	66.7	44%	0.435	33%	0.331	S	S	.	.	H	α-helix	trans	-62.4	-45.8	177.1	-170.3	-163.9	139.1	0	0	111.9	R174 K175 I176 N182	R174-E178 WeakPolarHBondContact O-CB 3.45Å; R174-E178 PolarHBondContact O-N 2.8Å; K175-E178 HydrophobicContact CD-CB 4.24Å; K175-E178 HydrophobicContact CD-CG 4.48Å; K175-E178 WeakPolarHBondContact CD-OE2 3.46Å; K175-E178 IonicContact NZ-OE1 2.67Å; K175-E178 PolarHBondContact NZ-OE1 3.42Å; K175-E178 IonicContact NZ-OE2 3.56Å; I176-E178 VanDerWaalsContact C-N 3.34Å; I176-E178 PolarHBondContact O-N 3.46Å; E178-N182 WeakPolarHBondContact O-CB 3.47Å; E178-N182 VanDerWaalsContact O-CG 3.24Å; E178-N182 PolarHBondContact O-N 3.4Å; E178-N182 PolarHBondContact O-ND2 2.9Å
179	I	96.9	Very high	94.2	Very high	6 Å²	6	65.8 Å²	65.8	3%	0.031	33%	0.331	C	S	.	.	H	α-helix	trans	-68.2	-44.5	178.3	-65.5	166.8	0	0	0	110.6	A134 Y135 A138 K175 I176 K181 N182 E183 L184	A134-I179 HydrophobicContact CB-CD1 3.67Å; Y135-I179 HydrophobicContact CD2-CG2 3.89Å; Y135-I179 HydrophobicContact CE2-CG2 4.41Å; A138-I179 HydrophobicContact CB-CB 3.8Å; A138-I179 HydrophobicContact CB-CG2 3.53Å; K175-I179 HydrophobicContact CD-CD1 4.26Å; K175-I179 HydrophobicContact CD-CG1 4.23Å; K175-I179 HydrophobicContact CG-CD1 4.06Å; K175-I179 WeakPolarHBondContact O-CD1 3.39Å; K175-I179 WeakPolarHBondContact O-CG1 3.24Å; K175-I179 PolarHBondContact O-N 2.88Å; K175-I179 VanDerWaalsContact O-N 3.07Å; I176-I179 PolarHBondContact O-N 3.38Å; I179-K181 PolarHBondContact O-N 3.42Å; I179-N182 PolarHBondContact O-N 2.65Å; I179-E183 WeakPolarHBondContact CG1-OE1 3.43Å; I179-E183 HydrophobicContact CG2-CB 4.04Å; I179-E183 HydrophobicContact CG2-CG 4.41Å; I179-E183 WeakPolarHBondContact O-CA 3.43Å; I179-E183 WeakPolarHBondContact O-CB 3.28Å; I179-E183 PolarHBondContact O-N 3.48Å; I179-L184 HydrophobicContact CG2-CD1 4.44Å; I179-L184 HydrophobicContact CG2-CG 4.24Å; I179-L184 PolarHBondContact O-N 2.85Å
180	H	94.9	Very high	93.9	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-57.4	-48.7	177.8	-175.4	-138.1	0	0	0	111.3	A138 Q142 G147 Y158 I176	A138-H180 HydrophobicContact CB-CB 4.22Å; Q142-H180 PolarHBondContact OE1-CD2 3.31Å; Q142-H180 PolarHBondContact OE1-NE2 3.08Å; G147-H180 PolarHBondContact O-NE2 3.13Å; G147-H180 VanDerWaalsContact O-NE2 3.14Å; Y158-H180 AromaticContact CE2-ND1 3.76Å; Y158-H180 AromaticContact CZ-ND1 3.69Å; Y158-H180 PolarHBondContact OH-ND1 3.11Å; I176-H180 WeakPolarHBondContact O-CB 3.43Å; I176-H180 PolarHBondContact O-N 3.21Å
181	K	93.6	Very high	93.8	Very high	95 Å²	95	63 Å²	63	41%	0.413	32%	0.315	S	S	.	.	H	α-helix	trans	-67.7	-39.3	-179.8	-177	169.2	-172.4	159.2	0	114.2	Y149 M177 I179	Y149-K181 HydrophobicContact CD1-CB 4Å; Y149-K181 HydrophobicContact CD1-CD 3.77Å; Y149-K181 HydrophobicContact CD1-CG 3.55Å; Y149-K181 HydrophobicContact CE1-CB 4.5Å; Y149-K181 HydrophobicContact CE1-CD 3.47Å; Y149-K181 VanDerWaalsContact CE1-CD 3.47Å; Y149-K181 VanDerWaalsContact CE1-CE 3.4Å; Y149-K181 HydrophobicContact CE1-CG 3.84Å; Y149-K181 HydrophobicContact CG-CB 4.07Å; Y149-K181 HydrophobicContact CG-CG 4.15Å; Y149-K181 PolarHBondContact OH-NZ 3.35Å; M177-K181 VanDerWaalsContact O-CB 3.27Å; M177-K181 WeakPolarHBondContact O-CB 3.4Å; M177-K181 PolarHBondContact O-N 2.94Å; I179-K181 PolarHBondContact O-N 3.42Å
182	N	94.3	Very high	93.6	Very high	108 Å²	108	55.9 Å²	55.9	58%	0.578	28%	0.284	S	S	*	.	H	α-helix	trans	-105.5	-30	-166.5	-59.3	-25.6	0	0	0	114.4	E178 I179	E178-N182 WeakPolarHBondContact O-CB 3.47Å; E178-N182 VanDerWaalsContact O-CG 3.24Å; E178-N182 PolarHBondContact O-N 3.4Å; E178-N182 PolarHBondContact O-ND2 2.9Å; I179-N182 PolarHBondContact O-N 2.65Å
183	E	94.8	Very high	93.5	Very high	94 Å²	94	55.6 Å²	55.6	44%	0.439	28%	0.283	S	S	.	.	H	α-helix	trans	-112.3	-23.4	-169.9	-59.4	177.5	-145.1	0	0	113.4	K175 I179 Q187	K175-E183 IonicContact NZ-OE1 3.73Å; I179-E183 WeakPolarHBondContact CG1-OE1 3.43Å; I179-E183 HydrophobicContact CG2-CB 4.04Å; I179-E183 HydrophobicContact CG2-CG 4.41Å; I179-E183 WeakPolarHBondContact O-CA 3.43Å; I179-E183 WeakPolarHBondContact O-CB 3.28Å; I179-E183 PolarHBondContact O-N 3.48Å; E183-Q187 PolarHBondContact O-NE2 2.85Å
184	L	93.3	Very high	93.4	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.291	C	S	.	.	S	Bend	trans	-107.3	-10.4	-174.7	-57.2	-173.3	0	0	0	115.4	Y135 A138 Q142 I179 G186 Q187	Y135-L184 HydrophobicContact CE2-CD2 4.28Å; A138-L184 HydrophobicContact CB-CD1 3.58Å; A138-L184 WeakPolarHBondContact O-CD1 3.4Å; Q142-L184 HydrophobicContact CB-CB 4.45Å; Q142-L184 HydrophobicContact CB-CD1 4.06Å; Q142-L184 HydrophobicContact CG-CB 4.16Å; Q142-L184 PolarHBondContact NE2-O 3.02Å; Q142-L184 PolarHBondContact OE1-O 3.08Å; I179-L184 HydrophobicContact CG2-CD1 4.44Å; I179-L184 HydrophobicContact CG2-CG 4.24Å; I179-L184 PolarHBondContact O-N 2.85Å; L184-G186 PolarHBondContact O-N 2.94Å; L184-Q187 WeakPolarHBondContact O-CB 3.43Å; L184-Q187 WeakPolarHBondContact O-CG 3.49Å; L184-Q187 PolarHBondContact O-N 3.25Å
185	R	91.1	Very high	93.3	Very high	192 Å²	192	50.6 Å²	50.6	73%	0.725	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	133.7	179.1	-169.4	-177.6	-176.6	-164.9	2.3	112.5	D148 Q187	D148-R185 WeakPolarHBondContact OD1-CA 3.42Å; D148-R185 WeakPolarHBondContact OD2-CG 3.4Å; R185-Q187 VanDerWaalsContact C-N 3.34Å
186	G	89.2	Confident	93.2	Very high	65 Å²	65	48 Å²	48	67%	0.67	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	0.2	-175.9	0	0	0	0	0	114.6	D148 L184	D148-G186 VanDerWaalsContact CG-N 3.25Å; D148-G186 PolarHBondContact OD1-N 2.88Å; D148-G186 PolarHBondContact OD2-N 3.34Å; L184-G186 PolarHBondContact O-N 2.94Å
187	Q	92.4	Very high	93.3	Very high	33 Å²	33	48 Å²	48	15%	0.154	26%	0.257	C	S	.	.			trans	-87.6	121	178.3	-62.8	-178.3	29.4	0	0	111.3	Q142 E183 L184 R185 L191 N195	Q142-Q187 HydrophobicContact CG-CB 4.41Å; Q142-Q187 PolarHBondContact NE2-O 3.04Å; E183-Q187 PolarHBondContact O-NE2 2.85Å; L184-Q187 WeakPolarHBondContact O-CB 3.43Å; L184-Q187 WeakPolarHBondContact O-CG 3.49Å; L184-Q187 PolarHBondContact O-N 3.25Å; R185-Q187 VanDerWaalsContact C-N 3.34Å; Q187-L191 HydrophobicContact CB-CB 4.5Å; Q187-L191 HydrophobicContact CB-CD2 4.23Å; Q187-L191 HydrophobicContact CB-CG 4.41Å; Q187-L191 HydrophobicContact CG-CD2 3.93Å; Q187-L191 HydrophobicContact CG-CG 4.33Å; Q187-N195 PolarHBondContact OE1-ND2 2.96Å
188	C	89.8	Confident	93.3	Very high	82 Å²	82	51.5 Å²	51.5	55%	0.554	27%	0.273	S	S	*	.			trans	-65.8	157.6	169.1	67.7	0	0	0	0	111.4	A190 L191 A192	C188-A190 VanDerWaalsContact C-N 3.28Å; C188-A190 PolarHBondContact O-N 3.07Å; C188-L191 PolarHBondContact O-N 2.87Å; C188-A192 PolarHBondContact O-N 3.4Å; C188-A192 VanDerWaalsContact O-N 3.09Å
189	A	89.2	Confident	93.3	Very high	25 Å²	25	51.5 Å²	51.5	21%	0.207	27%	0.269	C	S	.	.	H	α-helix	trans	-50.9	-45.1	-177.8	0	0	0	0	0	113.3	A143 L191 A192 E193	A143-A189 VanDerWaalsContact O-CB 3.27Å; A143-A189 WeakPolarHBondContact O-CB 3.32Å; A189-L191 PolarHBondContact O-N 3.49Å; A189-A192 PolarHBondContact O-N 2.82Å; A189-E193 WeakPolarHBondContact O-CB 3.49Å; A189-E193 WeakPolarHBondContact O-CG 3.4Å; A189-E193 PolarHBondContact O-N 3.4Å
190	A	88.8	Confident	93.3	Very high	28 Å²	28	51.2 Å²	51.2	23%	0.231	27%	0.268	C	S	.	.	H	α-helix	trans	-58.3	-32.2	178	0	0	0	0	0	113.9	C188 L194	C188-A190 VanDerWaalsContact C-N 3.28Å; C188-A190 PolarHBondContact O-N 3.07Å; A190-L194 WeakPolarHBondContact O-CB 3.46Å; A190-L194 PolarHBondContact O-N 2.84Å; A190-L194 VanDerWaalsContact O-N 3.16Å
191	L	91.8	Very high	93.3	Very high	73 Å²	73	54.1 Å²	54.1	38%	0.382	28%	0.281	S	S	.	.	H	α-helix	trans	-80.9	-39.5	177.2	-179.1	56.6	0	0	0	111.6	Q187 C188 A189 L194 N195	Q187-L191 HydrophobicContact CB-CB 4.5Å; Q187-L191 HydrophobicContact CB-CD2 4.23Å; Q187-L191 HydrophobicContact CB-CG 4.41Å; Q187-L191 HydrophobicContact CG-CD2 3.93Å; Q187-L191 HydrophobicContact CG-CG 4.33Å; C188-L191 PolarHBondContact O-N 2.87Å; A189-L191 PolarHBondContact O-N 3.49Å; L191-L194 PolarHBondContact O-N 3.19Å; L191-N195 WeakPolarHBondContact O-CB 3.17Å; L191-N195 VanDerWaalsContact O-CG 3.32Å; L191-N195 PolarHBondContact O-N 2.86Å; L191-N195 PolarHBondContact O-ND2 2.84Å
192	A	94	Very high	93.4	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-64.4	-40.4	173.5	0	0	0	0	0	112.1	Q142 A143 C188 A189 N195 M196	Q142-A192 HydrophobicContact CB-CB 3.97Å; Q142-A192 HydrophobicContact CG-CB 3.74Å; A143-A192 HydrophobicContact CB-CB 3.92Å; C188-A192 PolarHBondContact O-N 3.4Å; C188-A192 VanDerWaalsContact O-N 3.09Å; A189-A192 PolarHBondContact O-N 2.82Å; A192-N195 PolarHBondContact O-N 2.86Å; A192-M196 WeakPolarHBondContact O-CB 3.33Å; A192-M196 PolarHBondContact O-N 3.47Å
193	E	93.3	Very high	93.4	Very high	5 Å²	5	49.1 Å²	49.1	2%	0.023	27%	0.266	C	S	.	.	H	α-helix	trans	-55.3	-50.5	168.5	-71.2	161.3	-155.3	0	0	110.9	Y111 Y114 A143 A189 M196 L197 R344	Y111-E193 HydrophobicContact CD2-CG 4.49Å; Y114-E193 HydrophobicContact CD1-CG 4.17Å; Y114-E193 HydrophobicContact CD2-CB 4.05Å; Y114-E193 HydrophobicContact CD2-CG 3.87Å; Y114-E193 HydrophobicContact CE1-CG 4.44Å; Y114-E193 HydrophobicContact CE2-CG 4.13Å; Y114-E193 HydrophobicContact CG-CB 4.26Å; Y114-E193 HydrophobicContact CG-CG 3.92Å; A143-E193 HydrophobicContact CB-CG 4.02Å; A189-E193 WeakPolarHBondContact O-CB 3.49Å; A189-E193 WeakPolarHBondContact O-CG 3.4Å; A189-E193 PolarHBondContact O-N 3.4Å; E193-M196 WeakPolarHBondContact O-CB 3.44Å; E193-M196 PolarHBondContact O-N 3.04Å; E193-L197 WeakPolarHBondContact O-CG 3.37Å; E193-L197 PolarHBondContact O-N 2.97Å; E193-R344 VanDerWaalsContact CD-NH2 3.34Å; E193-R344 IonicContact OE1-CZ 3.46Å; E193-R344 IonicContact OE1-NE 3.81Å; E193-R344 PolarHBondContact OE1-NE 2.89Å; E193-R344 IonicContact OE1-NH2 3.7Å; E193-R344 PolarHBondContact OE1-NH2 2.83Å; E193-R344 IonicContact OE2-CZ 2.81Å; E193-R344 IonicContact OE2-NE 2.74Å; E193-R344 IonicContact OE2-NH2 2.72Å; E193-R344 PolarHBondContact OE2-NH2 2.93Å
194	L	93.1	Very high	93.3	Very high	49 Å²	49	49.1 Å²	49.1	26%	0.257	27%	0.265	S	S	.	.	H	α-helix	trans	-63.5	-44.1	-179.2	-167.3	71.8	0	0	0	112.2	M102 A190 L191 M196 L197 Q198	M102-L194 HydrophobicContact CE-CD1 3.6Å; M102-L194 HydrophobicContact CE-CG 4Å; M102-L194 HydrophobicContact SD-CD1 3.65Å; M102-L194 HydrophobicContact SD-CD2 4.43Å; M102-L194 HydrophobicContact SD-CG 3.88Å; A190-L194 WeakPolarHBondContact O-CB 3.46Å; A190-L194 PolarHBondContact O-N 2.84Å; A190-L194 VanDerWaalsContact O-N 3.16Å; L191-L194 PolarHBondContact O-N 3.19Å; L194-M196 VanDerWaalsContact C-N 3.3Å; L194-M196 PolarHBondContact O-N 3.41Å; L194-L197 WeakPolarHBondContact O-CB 3.49Å; L194-L197 PolarHBondContact O-N 2.89Å; L194-L197 VanDerWaalsContact O-N 3.12Å; L194-Q198 PolarHBondContact O-N 2.93Å
195	N	95.1	Very high	93.3	Very high	28 Å²	28	49.2 Å²	49.2	15%	0.15	27%	0.266	C	S	.	.	H	α-helix	trans	-62	-38.2	176.5	-75.6	-25.5	0	0	0	111.6	Q187 L191 A192 Q198 R199	Q187-N195 PolarHBondContact OE1-ND2 2.96Å; L191-N195 WeakPolarHBondContact O-CB 3.17Å; L191-N195 VanDerWaalsContact O-CG 3.32Å; L191-N195 PolarHBondContact O-N 2.86Å; L191-N195 PolarHBondContact O-ND2 2.84Å; A192-N195 PolarHBondContact O-N 2.86Å; N195-Q198 PolarHBondContact O-N 2.91Å; N195-R199 PolarHBondContact O-N 2.96Å; N195-R199 VanDerWaalsContact O-N 3.13Å
196	M	95.6	Very high	93.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61	-47.1	171.3	-167.3	-160.9	179.1	0	0	111.6	Y114 L117 I121 L136 C139 I140 A192 E193 L194 Q198 R199 A200	Y114-M196 HydrophobicContact CD2-CB 4.32Å; Y114-M196 HydrophobicContact CD2-CG 4.46Å; Y114-M196 HydrophobicContact CD2-SD 3.31Å; Y114-M196 WeakPolarHBondContact CD2-SD 3.41Å; Y114-M196 HydrophobicContact CE2-SD 3.41Å; Y114-M196 WeakPolarHBondContact CE2-SD 3.45Å; Y114-M196 HydrophobicContact CG-SD 4.38Å; L117-M196 HydrophobicContact CB-CE 4.33Å; I121-M196 HydrophobicContact CD1-CE 3.36Å; L136-M196 HydrophobicContact CD2-CB 4.28Å; L136-M196 HydrophobicContact CD2-CE 4.39Å; L136-M196 HydrophobicContact CD2-CG 3.41Å; L136-M196 VanDerWaalsContact CD2-CG 3.41Å; L136-M196 WeakPolarHBondContact CD2-O 3.41Å; C139-M196 HydrophobicContact CB-CB 3.91Å; C139-M196 HydrophobicContact CB-CG 4.38Å; I140-M196 HydrophobicContact CD1-CE 3.77Å; I140-M196 HydrophobicContact CG1-CE 3.81Å; I140-M196 HydrophobicContact CG1-SD 3.95Å; A192-M196 WeakPolarHBondContact O-CB 3.33Å; A192-M196 PolarHBondContact O-N 3.47Å; E193-M196 WeakPolarHBondContact O-CB 3.44Å; E193-M196 PolarHBondContact O-N 3.04Å; L194-M196 VanDerWaalsContact C-N 3.3Å; L194-M196 PolarHBondContact O-N 3.41Å; M196-Q198 VanDerWaalsContact C-N 3.32Å; M196-Q198 PolarHBondContact O-N 2.81Å; M196-R199 PolarHBondContact O-N 3.47Å; M196-A200 WeakPolarHBondContact O-CB 3.37Å; M196-A200 PolarHBondContact O-N 3.04Å
197	L	96.5	Very high	93.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-60.8	-40.3	177.4	-65.7	-178.8	0	0	0	112.3	P101 M102 R110 L113 L117 E193 L194 A200 H201	P101-L197 HydrophobicContact CB-CB 3.92Å; P101-L197 HydrophobicContact CB-CD1 4.1Å; P101-L197 HydrophobicContact CB-CG 4.45Å; P101-L197 HydrophobicContact CG-CB 4.34Å; M102-L197 HydrophobicContact CE-CB 3.74Å; R110-L197 HydrophobicContact CB-CD1 3.78Å; R110-L197 HydrophobicContact CG-CD1 4.26Å; L113-L197 HydrophobicContact CB-CD2 4.29Å; L113-L197 HydrophobicContact CD2-CD2 3.98Å; L113-L197 HydrophobicContact CG-CD2 3.82Å; L117-L197 HydrophobicContact CD1-CD2 3.49Å; L117-L197 VanDerWaalsContact CD1-CD2 3.49Å; E193-L197 WeakPolarHBondContact O-CG 3.37Å; E193-L197 PolarHBondContact O-N 2.97Å; L194-L197 WeakPolarHBondContact O-CB 3.49Å; L194-L197 PolarHBondContact O-N 2.89Å; L194-L197 VanDerWaalsContact O-N 3.12Å; L197-A200 PolarHBondContact O-N 3.48Å; L197-H201 PolarHBondContact O-CD2 3.39Å; L197-H201 PolarHBondContact O-N 2.87Å
198	Q	95.8	Very high	93.9	Very high	105 Å²	105	36.5 Å²	36.5	49%	0.491	20%	0.199	S	C	.	.	H	α-helix	trans	-65	-40.6	-179.6	-172.5	171.8	-17.1	0	0	112.2	M102 L194 N195 M196 H201	M102-Q198 HydrophobicContact CE-CB 3.88Å; M102-Q198 HydrophobicContact SD-CB 4.33Å; L194-Q198 PolarHBondContact O-N 2.93Å; N195-Q198 PolarHBondContact O-N 2.91Å; M196-Q198 VanDerWaalsContact C-N 3.32Å; M196-Q198 PolarHBondContact O-N 2.81Å; Q198-H201 PolarHBondContact O-CD2 3.12Å; Q198-H201 VanDerWaalsContact O-CD2 3.23Å; Q198-H201 PolarHBondContact O-NE2 3.09Å
199	R	96.1	Very high	93.9	Very high	93 Å²	93	34 Å²	34	35%	0.351	18%	0.18	S	C	.	.	H	α-helix	trans	-70.8	-50.2	172	-67.9	-57	-168.9	127.7	-0.8	112	E132 Y135 L136 N195 M196 H201 S202	E132-R199 IonicContact OE1-CZ 3.61Å; E132-R199 IonicContact OE1-NH1 3.57Å; E132-R199 PolarHBondContact OE1-NH1 3.36Å; E132-R199 WeakPolarHBondContact OE2-CD 3.47Å; E132-R199 IonicContact OE2-NH1 3.19Å; E132-R199 PolarHBondContact OE2-NH1 3.06Å; Y135-R199 HydrophobicContact CD1-CG 3.59Å; Y135-R199 HydrophobicContact CE1-CG 3.56Å; L136-R199 HydrophobicContact CD2-CB 3.91Å; L136-R199 HydrophobicContact CG-CB 4.49Å; N195-R199 PolarHBondContact O-N 2.96Å; N195-R199 VanDerWaalsContact O-N 3.13Å; M196-R199 PolarHBondContact O-N 3.47Å; R199-H201 VanDerWaalsContact C-N 3.29Å; R199-H201 PolarHBondContact O-N 3.44Å; R199-S202 WeakPolarHBondContact O-CB 3.47Å; R199-S202 PolarHBondContact O-N 3.3Å; R199-S202 VanDerWaalsContact O-N 3.09Å; R199-S202 PolarHBondContact O-OG 2.84Å
200	A	96.6	Very high	94	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-58.5	-36.2	-171.6	0	0	0	0	0	113.5	L117 L126 L136 M196 L197 S202 L203	L117-A200 HydrophobicContact CD1-CB 4.08Å; L126-A200 HydrophobicContact CD2-CB 4.1Å; L136-A200 HydrophobicContact CD2-CB 4.25Å; M196-A200 WeakPolarHBondContact O-CB 3.37Å; M196-A200 PolarHBondContact O-N 3.04Å; L197-A200 PolarHBondContact O-N 3.48Å; A200-S202 PolarHBondContact O-N 2.89Å; A200-L203 PolarHBondContact O-N 2.6Å
201	H	95.7	Very high	94.1	Very high	62 Å²	62	33.3 Å²	33.3	29%	0.287	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-10.9	-178.7	86.4	71.1	0	0	0	114.8	P101 L197 Q198 R199 Y206	P101-H201 HydrophobicContact CG-CB 3.89Å; L197-H201 PolarHBondContact O-CD2 3.39Å; L197-H201 PolarHBondContact O-N 2.87Å; Q198-H201 PolarHBondContact O-CD2 3.12Å; Q198-H201 VanDerWaalsContact O-CD2 3.23Å; Q198-H201 PolarHBondContact O-NE2 3.09Å; R199-H201 VanDerWaalsContact C-N 3.29Å; R199-H201 PolarHBondContact O-N 3.44Å; H201-Y206 HydrophobicContact CB-CD1 4.24Å; H201-Y206 HydrophobicContact CB-CD2 4.3Å; H201-Y206 HydrophobicContact CB-CE1 4.01Å; H201-Y206 HydrophobicContact CB-CE2 4.07Å; H201-Y206 HydrophobicContact CB-CG 4.38Å
202	S	94.7	Very high	94.1	Very high	81 Å²	81	33.9 Å²	33.9	57%	0.566	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-18	177.3	73.1	0	0	0	0	113.6	R199 A200	R199-S202 WeakPolarHBondContact O-CB 3.47Å; R199-S202 PolarHBondContact O-N 3.3Å; R199-S202 VanDerWaalsContact O-N 3.09Å; R199-S202 PolarHBondContact O-OG 2.84Å; A200-S202 PolarHBondContact O-N 2.89Å
203	L	94.6	Very high	94	Very high	17 Å²	17	34.4 Å²	34.4	9%	0.089	18%	0.179	C	C	.	.	S	Bend	trans	-73.1	142.3	-174.9	-62.6	-178	0	0	0	112.2	L126 C128 E132 L136 A200 T205 Y206	L126-L203 HydrophobicContact CD1-CB 4.09Å; L126-L203 HydrophobicContact CD1-CD1 4.08Å; L126-L203 HydrophobicContact CD2-CD1 3.99Å; L126-L203 HydrophobicContact CG-CD1 3.84Å; C128-L203 HydrophobicContact CB-CD1 4.41Å; E132-L203 HydrophobicContact CB-CD2 4.27Å; E132-L203 HydrophobicContact CG-CD2 4.13Å; L136-L203 HydrophobicContact CD1-CD1 3.93Å; A200-L203 PolarHBondContact O-N 2.6Å; L203-T205 PolarHBondContact O-N 3.35Å; L203-Y206 VanDerWaalsContact O-CB 3.3Å; L203-Y206 WeakPolarHBondContact O-CB 3.45Å; L203-Y206 PolarHBondContact O-N 3.23Å
204	E	92.2	Very high	94.1	Very high	93 Å²	93	39.4 Å²	39.4	44%	0.435	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-25.9	-173.3	-64.2	-151.6	130	0	0	114.9	F233 R238	E204-F233 HydrophobicContact CB-CE1 4.49Å; E204-F233 HydrophobicContact CB-CZ 4.39Å; E204-R238 VanDerWaalsContact CD-NE 3.3Å; E204-R238 IonicContact OE1-CZ 3.14Å; E204-R238 IonicContact OE1-NE 3.22Å; E204-R238 PolarHBondContact OE1-NE 3.38Å; E204-R238 IonicContact OE1-NH2 3.75Å; E204-R238 PolarHBondContact OE1-NH2 3.41Å; E204-R238 WeakPolarHBondContact OE2-CB 3.44Å; E204-R238 IonicContact OE2-NE 3.81Å
205	T	94.8	Very high	94	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.012	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	8.8	-175.9	44.1	0	0	0	0	113.7	L127 L203 G207 V208 F233 M363	L127-T205 HydrophobicContact CB-CG2 4.42Å; L127-T205 WeakPolarHBondContact CB-OG1 3.27Å; L127-T205 HydrophobicContact CD1-CG2 4.06Å; L127-T205 HydrophobicContact CG-CG2 3.93Å; L127-T205 PolarHBondContact N-OG1 2.96Å; L203-T205 PolarHBondContact O-N 3.35Å; T205-G207 PolarHBondContact O-N 3.14Å; T205-V208 WeakPolarHBondContact O-CB 3.35Å; T205-V208 PolarHBondContact O-N 3Å; T205-F233 HydrophobicContact CG2-CD1 4.33Å; T205-F233 HydrophobicContact CG2-CE1 3.55Å; T205-F233 HydrophobicContact CG2-CE2 4.1Å; T205-F233 HydrophobicContact CG2-CZ 3.42Å; T205-F233 VanDerWaalsContact CG2-CZ 3.42Å; T205-M363 HydrophobicContact CG2-CE 3.95Å; T205-M363 HydrophobicContact CG2-SD 4.18Å
206	Y	96.4	Very high	93.6	Very high	17 Å²	17	44.2 Å²	44.2	7%	0.067	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	124.5	172.9	173.2	-108.1	0	0	0	111.9	Y97 P98 L117 H201 L203 V208 T226	Y97-Y206 AromaticContact CD1-CE2 3.99Å; Y97-Y206 HydrophobicContact CD1-CE2 3.99Å; P98-Y206 WeakPolarHBondContact CD-OH 3.32Å; P98-Y206 WeakPolarHBondContact CG-OH 3.49Å; P98-Y206 VanDerWaalsContact O-CE1 3.28Å; P98-Y206 WeakPolarHBondContact O-CE1 3.45Å; P98-Y206 PolarHBondContact O-OH 3.33Å; L117-Y206 HydrophobicContact CD1-CE2 4.18Å; L117-Y206 HydrophobicContact CD2-CD2 3.94Å; L117-Y206 HydrophobicContact CD2-CE2 4.03Å; H201-Y206 HydrophobicContact CB-CD1 4.24Å; H201-Y206 HydrophobicContact CB-CD2 4.3Å; H201-Y206 HydrophobicContact CB-CE1 4.01Å; H201-Y206 HydrophobicContact CB-CE2 4.07Å; H201-Y206 HydrophobicContact CB-CG 4.38Å; L203-Y206 VanDerWaalsContact O-CB 3.3Å; L203-Y206 WeakPolarHBondContact O-CB 3.45Å; L203-Y206 PolarHBondContact O-N 3.23Å; Y206-V208 PolarHBondContact O-N 2.84Å; Y206-T226 WeakPolarHBondContact O-CG2 3.47Å
207	G	94.6	Very high	93.3	Very high	7 Å²	7	48.4 Å²	48.4	7%	0.072	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	-2.2	-178.5	0	0	0	0	0	116.5	Y97 T205 D209	Y97-G207 VanDerWaalsContact CD2-CA 3.48Å; Y97-G207 VanDerWaalsContact CG-CA 3.43Å; T205-G207 PolarHBondContact O-N 3.14Å; G207-D209 PolarHBondContact O-N 3.21Å
208	V	93.6	Very high	92.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.259	C	S	.	.			trans	-68.1	116.4	-178.7	174.6	0	0	0	0	110.8	R125 T205 Y206 P210 T226 V231 F233	R125-V208 WeakPolarHBondContact CG-O 3.27Å; R125-V208 VanDerWaalsContact CZ-O 3.28Å; R125-V208 PolarHBondContact NE-O 2.9Å; R125-V208 PolarHBondContact NH2-O 3.24Å; T205-V208 WeakPolarHBondContact O-CB 3.35Å; T205-V208 PolarHBondContact O-N 3Å; Y206-V208 PolarHBondContact O-N 2.84Å; V208-P210 HydrophobicContact CG1-CB 4.16Å; V208-P210 WeakPolarHBondContact O-CD 3.48Å; V208-T226 HydrophobicContact CG2-CG2 3.46Å; V208-T226 VanDerWaalsContact CG2-CG2 3.46Å; V208-V231 HydrophobicContact CG2-CG2 3.93Å; V208-F233 HydrophobicContact CG2-CE2 4.19Å
209	D	89.8	Confident	92.7	Very high	29 Å²	29	47.7 Å²	47.7	16%	0.155	26%	0.256	C	S	.	.			trans	-94.3	104.6	157.2	-141.8	-38.1	0	0	0	107.6	R68 R125 G207 H211	R68-D209 IonicContact NH1-OD1 2.62Å; R125-D209 IonicContact CZ-OD1 3.45Å; R125-D209 IonicContact CZ-OD2 2.76Å; R125-D209 IonicContact NH1-OD1 2.65Å; R125-D209 PolarHBondContact NH1-OD1 3.07Å; R125-D209 IonicContact NH1-OD2 3.17Å; R125-D209 PolarHBondContact NH1-OD2 3.23Å; R125-D209 IonicContact NH2-OD2 2.77Å; R125-D209 PolarHBondContact NH2-OD2 3.06Å; G207-D209 PolarHBondContact O-N 3.21Å; D209-H211 PolarHBondContact O-N 2.74Å
210	P	90.8	Very high	92.6	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.032	26%	0.264	C	S	.	.			trans	-79.3	114.5	-171.2	28.4	-31.5	0	0	0	111.3	V208 P212 F222 I362 M363	V208-P210 HydrophobicContact CG1-CB 4.16Å; V208-P210 WeakPolarHBondContact O-CD 3.48Å; P210-P212 WeakPolarHBondContact O-CD 3.21Å; P210-F222 HydrophobicContact CB-CB 3.92Å; P210-F222 HydrophobicContact CB-CD1 4.07Å; P210-F222 HydrophobicContact CB-CG 4.35Å; P210-I362 HydrophobicContact CG-CB 3.84Å; P210-I362 HydrophobicContact CG-CG2 3.67Å; P210-M363 HydrophobicContact CB-CG 4.33Å; P210-M363 HydrophobicContact CG-CG 4.28Å
211	H	91.1	Very high	92.5	Very high	34 Å²	34	47.2 Å²	47.2	16%	0.157	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	116.9	171	-60.3	-81.5	0	0	0	109.9	D209 L223 F225 H282 L283	D209-H211 PolarHBondContact O-N 2.74Å; H211-L223 HydrophobicContact CB-CB 4.45Å; H211-L223 PolarHBondContact N-O 2.95Å; H211-L223 PolarHBondContact O-N 3.41Å; H211-F225 AromaticContact CD2-CE2 3.86Å; H211-F225 AromaticContact NE2-CE2 3.79Å; H211-H282 AromaticContact CE1-CD2 3.69Å; H211-H282 AromaticContact CE1-NE2 3.39Å; H211-H282 PolarHBondContact CE1-NE2 3.46Å; H211-H282 AromaticContact ND1-CD2 3.99Å; H211-H282 AromaticContact ND1-NE2 3.99Å; H211-L283 HydrophobicContact CB-CD1 3.8Å
212	P	91.3	Very high	92.4	Very high	85 Å²	85	45.3 Å²	45.3	55%	0.552	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.4	133.3	179.2	29.2	-34.1	0	0	0	111.9	P210 F222	P210-P212 WeakPolarHBondContact O-CD 3.21Å; P212-F222 HydrophobicContact CB-CD1 4.13Å; P212-F222 HydrophobicContact CB-CE1 3.98Å
213	C	93.4	Very high	92.5	Very high	10 Å²	10	41.5 Å²	41.5	7%	0.068	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	-178.6	174.4	70.5	0	0	0	0	110.9	T220 A221 L223 F272 H273 T274	C213-T220 WeakPolarHBondContact O-CA 3.17Å; C213-A221 PolarHBondContact N-O 2.79Å; C213-A221 PolarHBondContact O-N 2.99Å; C213-A221 VanDerWaalsContact O-O 3.12Å; C213-A221 PolarHBondContact SG-O 3.25Å; C213-L223 HydrophobicContact CB-CD1 4.45Å; C213-L223 VanDerWaalsContact SG-CG 3.51Å; C213-F272 HydrophobicContact CB-CB 4.39Å; C213-H273 WeakPolarHBondContact CB-O 3.48Å; C213-T274 HydrophobicContact CB-CG2 4.39Å
214	K	94.4	Very high	92.5	Very high	111 Å²	111	40.7 Å²	40.7	48%	0.483	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	153.1	161	-67.4	-178.3	165	-122.7	0	110.1	G218 S219 F272 H273	K214-G218 WeakPolarHBondContact CD-O 3.48Å; K214-G218 WeakPolarHBondContact CE-O 3.43Å; K214-G218 PolarHBondContact NZ-O 3.28Å; K214-S219 VanDerWaalsContact CA-O 3.24Å; K214-S219 WeakPolarHBondContact CA-O 3.33Å; K214-F272 CarbonylContact O-C 3.57Å; K214-F272 VanDerWaalsContact O-CA 3.31Å; K214-F272 WeakPolarHBondContact O-CA 3.43Å; K214-H273 HydrophobicContact CB-CB 4.34Å; K214-H273 PolarHBondContact N-O 3.34Å; K214-H273 PolarHBondContact O-N 2.82Å
215	D	92	Very high	92.7	Very high	9 Å²	9	36.8 Å²	36.8	5%	0.048	21%	0.205	C	C	.	.			trans	-85	-152.5	167.8	56.7	27.1	0	0	0	111.1	T217 G218 S219 Q234 F272 H273	D215-T217 PolarHBondContact OD1-N 3.48Å; D215-T217 PolarHBondContact OD1-OG1 2.93Å; D215-G218 PolarHBondContact OD1-N 2.7Å; D215-S219 PolarHBondContact N-O 2.91Å; D215-S219 VanDerWaalsContact N-O 3.08Å; D215-S219 PolarHBondContact OD1-N 3.4Å; D215-S219 VanDerWaalsContact OD1-N 3.07Å; D215-S219 WeakPolarHBondContact OD2-CB 3.35Å; D215-Q234 PolarHBondContact OD2-NE2 3.49Å; D215-F272 HydrophobicContact CB-CD1 4.16Å; D215-F272 HydrophobicContact CB-CE1 4.16Å; D215-H273 PolarHBondContact O-ND1 2.97Å
216	F	86.6	Confident	92.8	Very high	168 Å²	168	37.2 Å²	37.2	74%	0.737	21%	0.208	S	C	*	.	S	Bend	trans	-84	-24.5	176.4	71.5	-85	0	0	0	113.4
217	T	89.1	Confident	92.7	Very high	89 Å²	89	36.9 Å²	36.9	55%	0.546	21%	0.209	S	C	.	.	S	Bend	trans	-78.9	-15.2	173.9	72.6	0	0	0	0	111.4	D215 S219	D215-T217 PolarHBondContact OD1-N 3.48Å; D215-T217 PolarHBondContact OD1-OG1 2.93Å; T217-S219 WeakPolarHBondContact OG1-CB 3.42Å; T217-S219 PolarHBondContact OG1-N 2.8Å; T217-S219 PolarHBondContact OG1-OG 2.83Å
218	G	88.1	Confident	92.7	Very high	28 Å²	28	39.3 Å²	39.3	29%	0.289	22%	0.222	S	C	.	.	S	Bend	trans	91.1	2.4	-175.1	0	0	0	0	0	113.4	K214 D215	K214-G218 WeakPolarHBondContact CD-O 3.48Å; K214-G218 WeakPolarHBondContact CE-O 3.43Å; K214-G218 PolarHBondContact NZ-O 3.28Å; D215-G218 PolarHBondContact OD1-N 2.7Å
219	S	91.8	Very high	92.8	Very high	61 Å²	61	39.3 Å²	39.3	43%	0.427	22%	0.222	S	C	.	.			trans	-68.8	145.5	174.4	-68.5	0	0	0	0	111.2	K214 D215 T217 A221	K214-S219 VanDerWaalsContact CA-O 3.24Å; K214-S219 WeakPolarHBondContact CA-O 3.33Å; D215-S219 PolarHBondContact N-O 2.91Å; D215-S219 VanDerWaalsContact N-O 3.08Å; D215-S219 PolarHBondContact OD1-N 3.4Å; D215-S219 VanDerWaalsContact OD1-N 3.07Å; D215-S219 WeakPolarHBondContact OD2-CB 3.35Å; T217-S219 WeakPolarHBondContact OG1-CB 3.42Å; T217-S219 PolarHBondContact OG1-N 2.8Å; T217-S219 PolarHBondContact OG1-OG 2.83Å; S219-A221 PolarHBondContact O-N 2.75Å
220	T	93.1	Very high	93.1	Very high	84 Å²	84	38 Å²	38	52%	0.515	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	124.9	179.1	-56.1	0	0	0	0	110.6	C213 F222	C213-T220 WeakPolarHBondContact O-CA 3.17Å; T220-F222 HydrophobicContact CG2-CE2 4.26Å; T220-F222 HydrophobicContact CG2-CZ 4.3Å
221	A	93.9	Very high	93.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	150.9	174.8	0	0	0	0	0	110.5	C213 S219 V232 F233 Q234 F272	C213-A221 PolarHBondContact N-O 2.79Å; C213-A221 PolarHBondContact O-N 2.99Å; C213-A221 VanDerWaalsContact O-O 3.12Å; C213-A221 PolarHBondContact SG-O 3.25Å; S219-A221 PolarHBondContact O-N 2.75Å; A221-V232 HydrophobicContact CB-CG1 4.28Å; A221-F233 CarbonylContact C-O 3.58Å; A221-F233 WeakPolarHBondContact CA-O 3.44Å; A221-Q234 HydrophobicContact CB-CG 4.23Å; A221-F272 HydrophobicContact CB-CE1 4.46Å
222	F	94.8	Very high	93.6	Very high	22 Å²	22	36.2 Å²	36.2	10%	0.096	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	119.9	175.6	-64.5	-83.2	0	0	0	109.2	P210 P212 T220 F233 I362 M363	P210-F222 HydrophobicContact CB-CB 3.92Å; P210-F222 HydrophobicContact CB-CD1 4.07Å; P210-F222 HydrophobicContact CB-CG 4.35Å; P212-F222 HydrophobicContact CB-CD1 4.13Å; P212-F222 HydrophobicContact CB-CE1 3.98Å; T220-F222 HydrophobicContact CG2-CE2 4.26Å; T220-F222 HydrophobicContact CG2-CZ 4.3Å; F222-F233 HydrophobicContact CB-CB 4.33Å; F222-F233 PolarHBondContact N-O 3.27Å; F222-F233 PolarHBondContact O-N 2.95Å; F222-I362 WeakPolarHBondContact CD1-O 3.36Å; F222-I362 VanDerWaalsContact CE1-O 3.22Å; F222-I362 WeakPolarHBondContact CE1-O 3.17Å; F222-M363 HydrophobicContact CD2-CG 4.49Å; F222-M363 HydrophobicContact CG-CG 4.42Å
223	L	95.5	Very high	93.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	135.8	-177.6	-49.7	-175.2	0	0	0	110.4	H211 C213 F230 V232 F257 F272 L283	H211-L223 HydrophobicContact CB-CB 4.45Å; H211-L223 PolarHBondContact N-O 2.95Å; H211-L223 PolarHBondContact O-N 3.41Å; C213-L223 HydrophobicContact CB-CD1 4.45Å; C213-L223 VanDerWaalsContact SG-CG 3.51Å; L223-F230 HydrophobicContact CB-CE2 4.06Å; L223-F230 HydrophobicContact CB-CZ 4.44Å; L223-F230 HydrophobicContact CD1-CE2 4.43Å; L223-F230 HydrophobicContact CD1-CZ 4.37Å; L223-F230 HydrophobicContact CD2-CE2 4.46Å; L223-F230 HydrophobicContact CD2-CZ 3.99Å; L223-F230 HydrophobicContact CG-CZ 4.49Å; L223-V232 HydrophobicContact CD2-CB 4.41Å; L223-V232 HydrophobicContact CD2-CG1 3.99Å; L223-V232 HydrophobicContact CD2-CG2 4.01Å; L223-F257 HydrophobicContact CD1-CD1 4.04Å; L223-F257 HydrophobicContact CD1-CE1 4.38Å; L223-F272 HydrophobicContact CD1-CB 3.99Å; L223-F272 HydrophobicContact CD1-CD1 4.46Å; L223-F272 HydrophobicContact CD1-CD2 3.87Å; L223-F272 HydrophobicContact CD1-CG 3.85Å; L223-F272 HydrophobicContact CD2-CD1 3.88Å; L223-F272 HydrophobicContact CD2-CD2 4.04Å; L223-F272 HydrophobicContact CD2-CE1 3.81Å; L223-F272 HydrophobicContact CD2-CE2 3.96Å; L223-F272 HydrophobicContact CD2-CG 4.01Å; L223-F272 HydrophobicContact CD2-CZ 3.86Å; L223-L283 HydrophobicContact CB-CD1 4.28Å; L223-L283 HydrophobicContact CD1-CD1 4.1Å; L223-L283 HydrophobicContact CD1-CD2 3.82Å
224	G	95.5	Very high	93.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	158.2	177	0	0	0	0	0	113	F230 V231	G224-F230 WeakPolarHBondContact O-CD2 3.46Å; G224-V231 PolarHBondContact N-O 2.8Å; G224-V231 WeakPolarHBondContact O-CG2 3.34Å; G224-V231 PolarHBondContact O-N 2.87Å
225	F	96.2	Very high	93.3	Very high	12 Å²	12	31.5 Å²	31.5	5%	0.053	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	122.2	170.1	-48.3	-72.6	0	0	0	107.6	H211 F230 W244 F257 L283 C286 N290	H211-F225 AromaticContact CD2-CE2 3.86Å; H211-F225 AromaticContact NE2-CE2 3.79Å; F225-F230 AromaticContact CD1-CD2 3.75Å; F225-F230 HydrophobicContact CD1-CD2 3.75Å; F225-F230 AromaticContact CE1-CD2 3.5Å; F225-F230 HydrophobicContact CE1-CD2 3.5Å; F225-F230 AromaticContact CE1-CE2 3.94Å; F225-F230 HydrophobicContact CE1-CE2 3.94Å; F225-F230 HydrophobicContact CZ-CD2 4.48Å; F225-W244 HydrophobicContact CB-CH2 4.1Å; F225-W244 HydrophobicContact CB-CZ2 4.09Å; F225-W244 AromaticContact CD1-CH2 3.86Å; F225-W244 HydrophobicContact CD1-CH2 3.86Å; F225-W244 HydrophobicContact CG-CH2 4.39Å; F225-F257 HydrophobicContact CE1-CZ 4.43Å; F225-F257 HydrophobicContact CZ-CZ 4.25Å; F225-L283 HydrophobicContact CE2-CD1 3.82Å; F225-L283 HydrophobicContact CZ-CD1 3.69Å; F225-L283 HydrophobicContact CZ-CG 4.46Å; F225-L283 WeakPolarHBondContact CZ-O 3.4Å; F225-C286 HydrophobicContact CD2-CB 4.11Å; F225-C286 HydrophobicContact CE2-CB 3.89Å; F225-N290 HydrophobicContact CB-CB 3.71Å; F225-N290 HydrophobicContact CG-CB 4.39Å
226	T	96.1	Very high	92.9	Very high	10 Å²	10	34 Å²	34	6%	0.061	20%	0.201	C	C	.	.			trans	-124.3	176.1	-178.1	71.1	0	0	0	0	110.7	Y206 V208 T228 G229 V231 W244 Y294	Y206-T226 WeakPolarHBondContact O-CG2 3.47Å; V208-T226 HydrophobicContact CG2-CG2 3.46Å; V208-T226 VanDerWaalsContact CG2-CG2 3.46Å; T226-T228 PolarHBondContact O-N 3.1Å; T226-T228 PolarHBondContact OG1-N 2.98Å; T226-G229 PolarHBondContact N-O 2.73Å; T226-G229 PolarHBondContact O-N 2.91Å; T226-G229 PolarHBondContact OG1-N 3.32Å; T226-G229 PolarHBondContact OG1-O 3.3Å; T226-V231 HydrophobicContact CG2-CG2 4.08Å; T226-W244 PolarHBondContact O-NE1 2.78Å; T226-Y294 WeakPolarHBondContact O-CD2 3.42Å; T226-Y294 WeakPolarHBondContact O-CE2 3.46Å
227	A	95.1	Very high	93	Very high	11 Å²	11	32.4 Å²	32.4	9%	0.091	19%	0.193	C	C	.	.	S	Bend	trans	-57.1	-29.8	173.3	0	0	0	0	0	113.4	H99 Y294	H99-A227 HydrophobicContact CB-CB 3.92Å; A227-Y294 HydrophobicContact CB-CD1 4.02Å; A227-Y294 HydrophobicContact CB-CE1 3.65Å
228	T	94.6	Very high	93.1	Very high	58 Å²	58	31.9 Å²	31.9	36%	0.356	18%	0.181	S	C	.	.	S	Bend	trans	-80.6	-38.1	179.7	-42	0	0	0	0	112.9	T226 L241 K243 W244	T226-T228 PolarHBondContact O-N 3.1Å; T226-T228 PolarHBondContact OG1-N 2.98Å; T228-L241 HydrophobicContact CG2-CD1 4.27Å; T228-L241 HydrophobicContact CG2-CD2 4.42Å; T228-K243 WeakPolarHBondContact O-CA 3.4Å; T228-W244 PolarHBondContact O-N 3.4Å
229	G	95.6	Very high	93.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.5	-164.5	-172.6	0	0	0	0	0	116.1	T226 L242	T226-G229 PolarHBondContact N-O 2.73Å; T226-G229 PolarHBondContact O-N 2.91Å; T226-G229 PolarHBondContact OG1-N 3.32Å; T226-G229 PolarHBondContact OG1-O 3.3Å; G229-L242 CarbonylContact C-O 3.59Å; G229-L242 VanDerWaalsContact CA-O 3.24Å; G229-L242 WeakPolarHBondContact CA-O 3.48Å
230	F	97.2	Very high	93.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	134.6	166.7	173.1	-108.3	0	0	0	109.9	L223 G224 F225 V232 L241 L242 V247 F257 V259 L270 F272	L223-F230 HydrophobicContact CB-CE2 4.06Å; L223-F230 HydrophobicContact CB-CZ 4.44Å; L223-F230 HydrophobicContact CD1-CE2 4.43Å; L223-F230 HydrophobicContact CD1-CZ 4.37Å; L223-F230 HydrophobicContact CD2-CE2 4.46Å; L223-F230 HydrophobicContact CD2-CZ 3.99Å; L223-F230 HydrophobicContact CG-CZ 4.49Å; G224-F230 WeakPolarHBondContact O-CD2 3.46Å; F225-F230 AromaticContact CD1-CD2 3.75Å; F225-F230 HydrophobicContact CD1-CD2 3.75Å; F225-F230 AromaticContact CE1-CD2 3.5Å; F225-F230 HydrophobicContact CE1-CD2 3.5Å; F225-F230 AromaticContact CE1-CE2 3.94Å; F225-F230 HydrophobicContact CE1-CE2 3.94Å; F225-F230 HydrophobicContact CZ-CD2 4.48Å; F230-V232 HydrophobicContact CD1-CG2 4.22Å; F230-V232 HydrophobicContact CE1-CG2 3.37Å; F230-V232 HydrophobicContact CZ-CG2 3.68Å; F230-L241 WeakPolarHBondContact O-CA 3.24Å; F230-L242 HydrophobicContact CD1-CD1 4.28Å; F230-L242 PolarHBondContact N-O 2.8Å; F230-L242 PolarHBondContact O-N 3.41Å; F230-V247 HydrophobicContact CB-CG2 4.24Å; F230-F257 HydrophobicContact CE2-CE1 4.17Å; F230-F257 HydrophobicContact CZ-CE1 4.45Å; F230-V259 HydrophobicContact CD1-CB 4.45Å; F230-V259 HydrophobicContact CD1-CG1 3.96Å; F230-V259 HydrophobicContact CD1-CG2 4.15Å; F230-V259 HydrophobicContact CD2-CG2 4.47Å; F230-V259 HydrophobicContact CE1-CB 4.2Å; F230-V259 HydrophobicContact CE1-CG1 4.2Å; F230-V259 HydrophobicContact CE1-CG2 3.71Å; F230-V259 HydrophobicContact CE2-CG2 4.05Å; F230-V259 HydrophobicContact CG-CG1 4.44Å; F230-V259 HydrophobicContact CG-CG2 4.49Å; F230-V259 HydrophobicContact CZ-CG2 3.64Å; F230-L270 HydrophobicContact CE1-CD1 4.02Å; F230-F272 HydrophobicContact CE1-CE2 4.09Å; F230-F272 HydrophobicContact CZ-CD2 4.39Å; F230-F272 AromaticContact CZ-CE2 3.81Å; F230-F272 HydrophobicContact CZ-CE2 3.81Å
231	V	96.4	Very high	93.6	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	148.1	-179.6	-70	0	0	0	0	112	V208 G224 T226 F233 H240 L241	V208-V231 HydrophobicContact CG2-CG2 3.93Å; G224-V231 PolarHBondContact N-O 2.8Å; G224-V231 WeakPolarHBondContact O-CG2 3.34Å; G224-V231 PolarHBondContact O-N 2.87Å; T226-V231 HydrophobicContact CG2-CG2 4.08Å; V231-F233 HydrophobicContact CB-CD2 4.48Å; V231-F233 HydrophobicContact CB-CE2 3.93Å; V231-F233 HydrophobicContact CG2-CD2 4.4Å; V231-F233 HydrophobicContact CG2-CE2 3.81Å; V231-H240 WeakPolarHBondContact CA-O 3.39Å; V231-L241 HydrophobicContact CG1-CB 4.38Å; V231-L241 HydrophobicContact CG1-CD1 3.56Å
232	V	95.4	Very high	93.8	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.012	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	124.6	178.2	-174.7	0	0	0	0	108.5	A221 L223 F230 I239 H240 L270 F272	A221-V232 HydrophobicContact CB-CG1 4.28Å; L223-V232 HydrophobicContact CD2-CB 4.41Å; L223-V232 HydrophobicContact CD2-CG1 3.99Å; L223-V232 HydrophobicContact CD2-CG2 4.01Å; F230-V232 HydrophobicContact CD1-CG2 4.22Å; F230-V232 HydrophobicContact CE1-CG2 3.37Å; F230-V232 HydrophobicContact CZ-CG2 3.68Å; V232-I239 PolarHBondContact O-N 2.75Å; V232-H240 HydrophobicContact CB-CB 4.01Å; V232-H240 HydrophobicContact CG2-CB 3.91Å; V232-H240 PolarHBondContact N-O 2.99Å; V232-H240 PolarHBondContact O-N 2.75Å; V232-L270 HydrophobicContact CG2-CD1 4.44Å; V232-F272 HydrophobicContact CG1-CE1 4.04Å; V232-F272 HydrophobicContact CG1-CZ 3.98Å; V232-F272 HydrophobicContact CG2-CE2 4.26Å; V232-F272 HydrophobicContact CG2-CZ 3.74Å
233	F	94.1	Very high	93.8	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.009	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	141.5	174.7	-69.4	-98.2	0	0	0	110.9	E204 T205 V208 A221 F222 V231 K237 R238	E204-F233 HydrophobicContact CB-CE1 4.49Å; E204-F233 HydrophobicContact CB-CZ 4.39Å; T205-F233 HydrophobicContact CG2-CD1 4.33Å; T205-F233 HydrophobicContact CG2-CE1 3.55Å; T205-F233 HydrophobicContact CG2-CE2 4.1Å; T205-F233 HydrophobicContact CG2-CZ 3.42Å; T205-F233 VanDerWaalsContact CG2-CZ 3.42Å; V208-F233 HydrophobicContact CG2-CE2 4.19Å; A221-F233 CarbonylContact C-O 3.58Å; A221-F233 WeakPolarHBondContact CA-O 3.44Å; F222-F233 HydrophobicContact CB-CB 4.33Å; F222-F233 PolarHBondContact N-O 3.27Å; F222-F233 PolarHBondContact O-N 2.95Å; V231-F233 HydrophobicContact CB-CD2 4.48Å; V231-F233 HydrophobicContact CB-CE2 3.93Å; V231-F233 HydrophobicContact CG2-CD2 4.4Å; V231-F233 HydrophobicContact CG2-CE2 3.81Å; F233-K237 WeakPolarHBondContact CA-O 3.47Å; F233-R238 HydrophobicContact CD1-CB 3.99Å; F233-R238 HydrophobicContact CE1-CB 3.58Å; F233-R238 HydrophobicContact CE1-CG 4.18Å; F233-R238 HydrophobicContact CE2-CG 4.43Å; F233-R238 HydrophobicContact CZ-CB 3.95Å; F233-R238 HydrophobicContact CZ-CG 4.03Å
234	Q	91.9	Very high	93.8	Very high	70 Å²	70	36.8 Å²	36.8	33%	0.327	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	121	165.1	-73.7	173.5	-24.2	0	0	107.1	D215 A221 N236 K237 I239	D215-Q234 PolarHBondContact OD2-NE2 3.49Å; A221-Q234 HydrophobicContact CB-CG 4.23Å; Q234-N236 PolarHBondContact O-N 3.18Å; Q234-K237 PolarHBondContact N-O 3.43Å; Q234-K237 PolarHBondContact O-N 2.9Å; Q234-K237 VanDerWaalsContact O-N 3.13Å; Q234-I239 HydrophobicContact CB-CD1 4.18Å; Q234-I239 HydrophobicContact CB-CG1 3.81Å; Q234-I239 HydrophobicContact CG-CG1 3.92Å
235	G	86.4	Confident	93.7	Very high	35 Å²	35	39.4 Å²	39.4	36%	0.361	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	-134.4	-161.7	0	0	0	0	0	110.9	K237	G235-K237 VanDerWaalsContact C-N 3.34Å
236	N	83.3	Confident	93.7	Very high	61 Å²	61	41.8 Å²	41.8	33%	0.326	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	8.3	177.9	-62.5	-45.7	0	0	0	114	L127 Q234 N364	L127-N236 HydrophobicContact CD1-CB 4.19Å; Q234-N236 PolarHBondContact O-N 3.18Å; N236-N364 PolarHBondContact ND2-O 3.26Å; N236-N364 PolarHBondContact OD1-O 3.11Å
237	K	88	Confident	93.7	Very high	134 Å²	134	41.3 Å²	41.3	58%	0.583	22%	0.222	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107.5	127.7	-175.1	-173.7	178.9	179.5	179.4	0	111.8	F233 Q234 G235 I239	F233-K237 WeakPolarHBondContact CA-O 3.47Å; Q234-K237 PolarHBondContact N-O 3.43Å; Q234-K237 PolarHBondContact O-N 2.9Å; Q234-K237 VanDerWaalsContact O-N 3.13Å; G235-K237 VanDerWaalsContact C-N 3.34Å; K237-I239 HydrophobicContact CB-CD1 4.21Å; K237-I239 HydrophobicContact CD-CD1 4.01Å; K237-I239 HydrophobicContact CG-CD1 3.94Å; K237-I239 PolarHBondContact O-N 2.81Å
238	R	93.1	Very high	93.6	Very high	79 Å²	79	44.3 Å²	44.3	30%	0.298	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	116.4	169.4	-170	161.4	57.4	163.7	4	110.1	E204 F233	E204-R238 VanDerWaalsContact CD-NE 3.3Å; E204-R238 IonicContact OE1-CZ 3.14Å; E204-R238 IonicContact OE1-NE 3.22Å; E204-R238 PolarHBondContact OE1-NE 3.38Å; E204-R238 IonicContact OE1-NH2 3.75Å; E204-R238 PolarHBondContact OE1-NH2 3.41Å; E204-R238 WeakPolarHBondContact OE2-CB 3.44Å; E204-R238 IonicContact OE2-NE 3.81Å; F233-R238 HydrophobicContact CD1-CB 3.99Å; F233-R238 HydrophobicContact CE1-CB 3.58Å; F233-R238 HydrophobicContact CE1-CG 4.18Å; F233-R238 HydrophobicContact CE2-CG 4.43Å; F233-R238 HydrophobicContact CZ-CB 3.95Å; F233-R238 HydrophobicContact CZ-CG 4.03Å
239	I	93.9	Very high	93.4	Very high	65 Å²	65	45 Å²	45	33%	0.333	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-40.1	-177.9	-49.7	-58.7	0	0	0	110.9	V232 Q234 K237	V232-I239 PolarHBondContact O-N 2.75Å; Q234-I239 HydrophobicContact CB-CD1 4.18Å; Q234-I239 HydrophobicContact CB-CG1 3.81Å; Q234-I239 HydrophobicContact CG-CG1 3.92Å; K237-I239 HydrophobicContact CB-CD1 4.21Å; K237-I239 HydrophobicContact CD-CD1 4.01Å; K237-I239 HydrophobicContact CG-CD1 3.94Å; K237-I239 PolarHBondContact O-N 2.81Å
240	H	93.9	Very high	93.3	Very high	50 Å²	50	45.1 Å²	45.1	23%	0.231	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	144.8	174.2	-58.5	-81.8	0	0	0	111.9	V231 V232 L270	V231-H240 WeakPolarHBondContact CA-O 3.39Å; V232-H240 HydrophobicContact CB-CB 4.01Å; V232-H240 HydrophobicContact CG2-CB 3.91Å; V232-H240 PolarHBondContact N-O 2.99Å; V232-H240 PolarHBondContact O-N 2.75Å; H240-L270 HydrophobicContact CB-CD1 4.32Å
241	L	95.4	Very high	93.1	Very high	47 Å²	47	48.2 Å²	48.2	25%	0.246	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	122.2	160.3	168	63.5	0	0	0	106.8	T228 F230 V231 Q263	T228-L241 HydrophobicContact CG2-CD1 4.27Å; T228-L241 HydrophobicContact CG2-CD2 4.42Å; F230-L241 WeakPolarHBondContact O-CA 3.24Å; V231-L241 HydrophobicContact CG1-CB 4.38Å; V231-L241 HydrophobicContact CG1-CD1 3.56Å; L241-Q263 PolarHBondContact O-NE2 2.58Å; L241-Q263 VanDerWaalsContact O-NE2 3.14Å
242	L	96.4	Very high	92.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	114.5	171.5	-61.1	177.4	0	0	0	107.7	G229 F230 V247 V259 Q263 L268 L270	G229-L242 CarbonylContact C-O 3.59Å; G229-L242 VanDerWaalsContact CA-O 3.24Å; G229-L242 WeakPolarHBondContact CA-O 3.48Å; F230-L242 HydrophobicContact CD1-CD1 4.28Å; F230-L242 PolarHBondContact N-O 2.8Å; F230-L242 PolarHBondContact O-N 3.41Å; L242-V247 HydrophobicContact CB-CG2 3.87Å; L242-V259 HydrophobicContact CD1-CG1 3.98Å; L242-Q263 HydrophobicContact CD2-CB 3.98Å; L242-Q263 HydrophobicContact CD2-CG 4.04Å; L242-L268 HydrophobicContact CD1-CD2 3.99Å; L242-L268 HydrophobicContact CD2-CD2 3.76Å; L242-L268 HydrophobicContact CG-CD2 4.42Å; L242-L270 HydrophobicContact CD1-CD1 3.91Å
243	K	96.1	Very high	92.7	Very high	124 Å²	124	56 Å²	56	54%	0.539	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	157.1	-177.1	-60.9	179.7	177.2	179.4	0	109.6	T228 G245 D246 V247	T228-K243 WeakPolarHBondContact O-CA 3.4Å; K243-G245 PolarHBondContact O-N 3.38Å; K243-G245 VanDerWaalsContact O-N 3.11Å; K243-D246 VanDerWaalsContact CB-OD2 3.31Å; K243-D246 WeakPolarHBondContact CB-OD2 3.15Å; K243-D246 PolarHBondContact N-OD2 3.03Å; K243-D246 WeakPolarHBondContact O-CB 3.22Å; K243-D246 PolarHBondContact O-N 2.95Å; K243-V247 PolarHBondContact O-N 3.21Å; K243-V247 VanDerWaalsContact O-N 3.13Å
244	W	95.3	Very high	92.5	Very high	12 Å²	12	58 Å²	58	5%	0.045	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-30	-177.8	-70.7	119.9	0	0	0	114.2	F225 T226 T228 V247 N290 Q291 Y294 K295	F225-W244 HydrophobicContact CB-CH2 4.1Å; F225-W244 HydrophobicContact CB-CZ2 4.09Å; F225-W244 AromaticContact CD1-CH2 3.86Å; F225-W244 HydrophobicContact CD1-CH2 3.86Å; F225-W244 HydrophobicContact CG-CH2 4.39Å; T226-W244 PolarHBondContact O-NE1 2.78Å; T228-W244 PolarHBondContact O-N 3.4Å; W244-V247 HydrophobicContact CE3-CB 4.43Å; W244-V247 HydrophobicContact CE3-CG2 4.36Å; W244-N290 HydrophobicContact CH2-CB 3.88Å; W244-N290 HydrophobicContact CZ2-CB 3.72Å; W244-Q291 HydrophobicContact CE3-CB 3.8Å; W244-Q291 HydrophobicContact CE3-CG 3.84Å; W244-Q291 HydrophobicContact CH2-CB 4.29Å; W244-Q291 HydrophobicContact CZ3-CB 3.57Å; W244-Q291 HydrophobicContact CZ3-CG 4.06Å; W244-Y294 AromaticContact CE2-CD2 3.88Å; W244-Y294 HydrophobicContact CZ2-CD2 4.16Å; W244-Y294 AromaticContact NE1-CD2 3.34Å; W244-Y294 VanDerWaalsContact NE1-CD2 3.34Å; W244-Y294 AromaticContact NE1-CG 3.8Å; W244-K295 HydrophobicContact CB-CB 4.11Å; W244-K295 HydrophobicContact CB-CG 4.29Å; W244-K295 WeakPolarHBondContact O-CD 3.31Å; W244-K295 WeakPolarHBondContact O-CE 3.42Å; W244-K295 PolarHBondContact O-NZ 2.97Å
245	G	93.8	Very high	92.5	Very high	55 Å²	55	59.7 Å²	59.7	57%	0.567	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-54.1	169.2	0	0	0	0	0	112.4	K243 V247 K295	K243-G245 PolarHBondContact O-N 3.38Å; K243-G245 VanDerWaalsContact O-N 3.11Å; G245-V247 VanDerWaalsContact C-N 3.34Å; G245-V247 PolarHBondContact O-N 2.75Å; G245-K295 PolarHBondContact O-NZ 3.18Å
246	D	95.3	Very high	92.9	Very high	62 Å²	62	59 Å²	59	33%	0.332	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-34.2	-177.3	-50.6	-25.9	0	0	0	113.9	K243 S248 G261 V262	K243-D246 VanDerWaalsContact CB-OD2 3.31Å; K243-D246 WeakPolarHBondContact CB-OD2 3.15Å; K243-D246 PolarHBondContact N-OD2 3.03Å; K243-D246 WeakPolarHBondContact O-CB 3.22Å; K243-D246 PolarHBondContact O-N 2.95Å; D246-S248 PolarHBondContact O-N 2.92Å; D246-S248 VanDerWaalsContact O-N 3.13Å; D246-S248 PolarHBondContact O-OG 3.44Å; D246-G261 CarbonylContact O-C 3.5Å; D246-G261 WeakPolarHBondContact O-CA 3.48Å; D246-V262 WeakPolarHBondContact CB-O 3.42Å; D246-V262 PolarHBondContact O-N 3.36Å; D246-V262 VanDerWaalsContact O-N 3.14Å
247	V	96	Very high	93.5	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	108.6	178.9	-178.8	0	0	0	0	110	F230 L242 K243 W244 G245 L250 V259 Q291 K295	F230-V247 HydrophobicContact CB-CG2 4.24Å; L242-V247 HydrophobicContact CB-CG2 3.87Å; K243-V247 PolarHBondContact O-N 3.21Å; K243-V247 VanDerWaalsContact O-N 3.13Å; W244-V247 HydrophobicContact CE3-CB 4.43Å; W244-V247 HydrophobicContact CE3-CG2 4.36Å; G245-V247 VanDerWaalsContact C-N 3.34Å; G245-V247 PolarHBondContact O-N 2.75Å; V247-L250 HydrophobicContact CG1-CD2 3.77Å; V247-L250 HydrophobicContact CG1-CG 4.16Å; V247-V259 HydrophobicContact CG1-CG1 4.35Å; V247-Q291 PolarHBondContact O-NE2 3.38Å; V247-K295 PolarHBondContact O-NZ 2.95Å
248	S	92.4	Very high	93.9	Very high	74 Å²	74	53 Å²	53	52%	0.517	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-47.1	-177.4	-46.4	0	0	0	0	112.8	D246 I260	D246-S248 PolarHBondContact O-N 2.92Å; D246-S248 VanDerWaalsContact O-N 3.13Å; D246-S248 PolarHBondContact O-OG 3.44Å; S248-I260 WeakPolarHBondContact CA-O 3.46Å; S248-I260 WeakPolarHBondContact CB-O 3.34Å; S248-I260 PolarHBondContact N-O 2.81Å
249	K	91.3	Very high	94	Very high	72 Å²	72	49.2 Å²	49.2	31%	0.313	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	136.5	178.7	-173.3	165.9	-179.5	172.4	0	112.6	K251 I260 N309	K249-K251 HydrophobicContact CD-CG 4.34Å; K249-K251 HydrophobicContact CG-CG 4.18Å; K249-I260 PolarHBondContact N-O 3.31Å; K249-I260 PolarHBondContact O-N 3.1Å; K249-N309 PolarHBondContact NZ-OD1 2.97Å
250	L	94.3	Very high	94.1	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.016	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	132.1	169.2	-56.2	179.2	0	0	0	109.9	V247 F257 V259 W284 G287 V288	V247-L250 HydrophobicContact CG1-CD2 3.77Å; V247-L250 HydrophobicContact CG1-CG 4.16Å; L250-F257 HydrophobicContact CB-CE2 4.4Å; L250-F257 HydrophobicContact CD2-CZ 4.08Å; L250-V259 HydrophobicContact CD2-CB 4.2Å; L250-V259 HydrophobicContact CD2-CG1 3.86Å; L250-V259 HydrophobicContact CD2-CG2 3.86Å; L250-W284 PolarHBondContact O-NE1 3.03Å; L250-W284 VanDerWaalsContact O-NE1 3.14Å; L250-G287 WeakPolarHBondContact CD1-O 3.5Å; L250-V288 HydrophobicContact CB-CG2 4.46Å; L250-V288 HydrophobicContact CD1-CG2 4.45Å
251	K	91.8	Very high	94.1	Very high	64 Å²	64	45.3 Å²	45.3	28%	0.278	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	163.5	175.6	-58.7	179.1	-176.5	173.5	0	110.9	K249 F257 Y258 I260	K249-K251 HydrophobicContact CD-CG 4.34Å; K249-K251 HydrophobicContact CG-CG 4.18Å; K251-F257 WeakPolarHBondContact O-CD2 3.32Å; K251-Y258 HydrophobicContact CB-CD2 4.42Å; K251-Y258 PolarHBondContact N-O 2.8Å; K251-Y258 PolarHBondContact O-N 2.97Å; K251-I260 HydrophobicContact CD-CD1 4.21Å
252	F	92.7	Very high	93.9	Very high	21 Å²	21	46 Å²	46	9%	0.092	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	149.9	159.4	80.8	-80.5	0	0	0	111.5	T256 F257 C280 K281 W284	F252-T256 CarbonylContact C-O 3.57Å; F252-T256 WeakPolarHBondContact CA-O 3.45Å; F252-T256 WeakPolarHBondContact CB-O 3.41Å; F252-F257 HydrophobicContact CB-CD2 4.39Å; F252-C280 HydrophobicContact CD2-CB 4.15Å; F252-K281 HydrophobicContact CE1-CB 4.18Å; F252-K281 HydrophobicContact CE1-CG 4.1Å; F252-K281 HydrophobicContact CE2-CB 3.79Å; F252-K281 HydrophobicContact CE2-CG 4.35Å; F252-K281 HydrophobicContact CZ-CB 3.59Å; F252-K281 HydrophobicContact CZ-CD 3.96Å; F252-K281 HydrophobicContact CZ-CG 3.66Å; F252-W284 HydrophobicContact CB-CB 4.26Å; F252-W284 HydrophobicContact CD1-CB 3.58Å; F252-W284 AromaticContact CD1-CD2 3.62Å; F252-W284 HydrophobicContact CD1-CD2 3.62Å; F252-W284 AromaticContact CD1-CE3 3.95Å; F252-W284 HydrophobicContact CD1-CE3 3.95Å; F252-W284 AromaticContact CD1-CG 3.46Å; F252-W284 HydrophobicContact CD1-CG 3.46Å; F252-W284 VanDerWaalsContact CD1-CG 3.46Å; F252-W284 HydrophobicContact CE1-CB 4.29Å; F252-W284 AromaticContact CE1-CD2 3.77Å; F252-W284 HydrophobicContact CE1-CD2 3.77Å; F252-W284 AromaticContact CE1-CE3 3.61Å; F252-W284 HydrophobicContact CE1-CE3 3.61Å; F252-W284 HydrophobicContact CE1-CG 4.09Å; F252-W284 HydrophobicContact CE1-CZ3 4.17Å; F252-W284 HydrophobicContact CG-CB 4.2Å; F252-W284 HydrophobicContact CG-CG 4.41Å
253	E	90.4	Very high	93.5	Very high	145 Å²	145	49.4 Å²	49.4	68%	0.678	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.7	122.5	174	-175.2	150.5	-161.7	0	0	109.2	K255 T256 Y258	E253-K255 PolarHBondContact O-N 2.74Å; E253-K255 VanDerWaalsContact O-N 3.1Å; E253-T256 PolarHBondContact N-O 3.18Å; E253-T256 PolarHBondContact O-N 3.22Å; E253-Y258 HydrophobicContact CB-CE2 4.29Å
254	G	89.9	Confident	93	Very high	44 Å²	44	52.8 Å²	52.8	45%	0.454	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	56	-116.1	-172.8	0	0	0	0	0	112.3	P277	G254-P277 WeakPolarHBondContact O-CA 3.38Å; G254-P277 WeakPolarHBondContact O-CB 3.24Å
255	K	93.2	Very high	92.6	Very high	106 Å²	106	61.4 Å²	61.4	46%	0.461	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-5.7	176.3	-63.1	-169.9	-176.5	-163.7	0	113.9	E253 T274 T275 P277 C280	E253-K255 PolarHBondContact O-N 2.74Å; E253-K255 VanDerWaalsContact O-N 3.1Å; K255-T274 PolarHBondContact O-N 3.33Å; K255-T274 PolarHBondContact O-OG1 3.09Å; K255-T275 WeakPolarHBondContact CD-O 3.31Å; K255-T275 VanDerWaalsContact CE-O 3.27Å; K255-T275 WeakPolarHBondContact CE-O 3.17Å; K255-T275 PolarHBondContact NZ-O 3.14Å; K255-P277 HydrophobicContact CG-CG 3.98Å; K255-C280 PolarHBondContact O-SG 3.45Å
256	T	94.8	Very high	92.4	Very high	22 Å²	22	66.7 Å²	66.7	14%	0.135	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	128.2	-168.7	-49.5	0	0	0	0	111.3	F252 E253 Y258 T271 F272 H273 C280	F252-T256 CarbonylContact C-O 3.57Å; F252-T256 WeakPolarHBondContact CA-O 3.45Å; F252-T256 WeakPolarHBondContact CB-O 3.41Å; E253-T256 PolarHBondContact N-O 3.18Å; E253-T256 PolarHBondContact O-N 3.22Å; T256-Y258 HydrophobicContact CG2-CD2 4.44Å; T256-Y258 HydrophobicContact CG2-CE1 3.92Å; T256-Y258 HydrophobicContact CG2-CE2 3.78Å; T256-Y258 VanDerWaalsContact CG2-CZ 3.49Å; T256-T271 HydrophobicContact CG2-CG2 3.47Å; T256-T271 VanDerWaalsContact CG2-CG2 3.47Å; T256-F272 CarbonylContact C-O 3.59Å; T256-F272 WeakPolarHBondContact CA-O 3.47Å; T256-H273 PolarHBondContact OG1-CD2 2.9Å; T256-H273 VanDerWaalsContact OG1-CD2 3.25Å; T256-C280 PolarHBondContact O-SG 2.91Å
257	F	96.2	Very high	92.3	Very high	0 Å²	0	71.8 Å²	71.8	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	135.9	177.9	179.6	-115.8	0	0	0	109.5	L223 F225 F230 L250 K251 F252 V259 F272 L283 W284	L223-F257 HydrophobicContact CD1-CD1 4.04Å; L223-F257 HydrophobicContact CD1-CE1 4.38Å; F225-F257 HydrophobicContact CE1-CZ 4.43Å; F225-F257 HydrophobicContact CZ-CZ 4.25Å; F230-F257 HydrophobicContact CE2-CE1 4.17Å; F230-F257 HydrophobicContact CZ-CE1 4.45Å; L250-F257 HydrophobicContact CB-CE2 4.4Å; L250-F257 HydrophobicContact CD2-CZ 4.08Å; K251-F257 WeakPolarHBondContact O-CD2 3.32Å; F252-F257 HydrophobicContact CB-CD2 4.39Å; F257-V259 HydrophobicContact CD1-CG2 4.03Å; F257-V259 HydrophobicContact CE1-CG2 3.38Å; F257-V259 HydrophobicContact CZ-CG2 3.92Å; F257-F272 HydrophobicContact CD1-CD2 4.33Å; F257-F272 PolarHBondContact N-O 2.96Å; F257-F272 PolarHBondContact O-N 2.8Å; F257-L283 HydrophobicContact CB-CD2 3.75Å; F257-L283 HydrophobicContact CD1-CD2 3.59Å; F257-L283 HydrophobicContact CD1-CG 4.08Å; F257-L283 HydrophobicContact CD2-CD2 4.13Å; F257-L283 HydrophobicContact CD2-CG 4.24Å; F257-L283 HydrophobicContact CE1-CD2 4.16Å; F257-L283 HydrophobicContact CE1-CG 4.16Å; F257-L283 HydrophobicContact CE2-CG 4.35Å; F257-L283 HydrophobicContact CG-CD2 3.56Å; F257-L283 HydrophobicContact CG-CG 4.11Å; F257-L283 HydrophobicContact CZ-CG 4.3Å; F257-W284 HydrophobicContact CD2-CB 4.17Å; F257-W284 HydrophobicContact CE2-CB 3.97Å
258	Y	95.1	Very high	92.2	Very high	68 Å²	68	73.6 Å²	73.6	27%	0.267	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	127.1	-178.3	-56.1	-90.1	0	0	0	110.9	K251 E253 T256 L270 T271	K251-Y258 HydrophobicContact CB-CD2 4.42Å; K251-Y258 PolarHBondContact N-O 2.8Å; K251-Y258 PolarHBondContact O-N 2.97Å; E253-Y258 HydrophobicContact CB-CE2 4.29Å; T256-Y258 HydrophobicContact CG2-CD2 4.44Å; T256-Y258 HydrophobicContact CG2-CE1 3.92Å; T256-Y258 HydrophobicContact CG2-CE2 3.78Å; T256-Y258 VanDerWaalsContact CG2-CZ 3.49Å; Y258-L270 WeakPolarHBondContact CA-O 3.4Å; Y258-T271 HydrophobicContact CD1-CG2 4.03Å; Y258-T271 HydrophobicContact CE1-CG2 3.69Å
259	V	96.1	Very high	92.3	Very high	0 Å²	0	73.5 Å²	73.5	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	112	171	-175.4	0	0	0	0	108.3	F230 L242 V247 L250 F257 V269 L270	F230-V259 HydrophobicContact CD1-CB 4.45Å; F230-V259 HydrophobicContact CD1-CG1 3.96Å; F230-V259 HydrophobicContact CD1-CG2 4.15Å; F230-V259 HydrophobicContact CD2-CG2 4.47Å; F230-V259 HydrophobicContact CE1-CB 4.2Å; F230-V259 HydrophobicContact CE1-CG1 4.2Å; F230-V259 HydrophobicContact CE1-CG2 3.71Å; F230-V259 HydrophobicContact CE2-CG2 4.05Å; F230-V259 HydrophobicContact CG-CG1 4.44Å; F230-V259 HydrophobicContact CG-CG2 4.49Å; F230-V259 HydrophobicContact CZ-CG2 3.64Å; L242-V259 HydrophobicContact CD1-CG1 3.98Å; V247-V259 HydrophobicContact CG1-CG1 4.35Å; L250-V259 HydrophobicContact CD2-CB 4.2Å; L250-V259 HydrophobicContact CD2-CG1 3.86Å; L250-V259 HydrophobicContact CD2-CG2 3.86Å; F257-V259 HydrophobicContact CD1-CG2 4.03Å; F257-V259 HydrophobicContact CE1-CG2 3.38Å; F257-V259 HydrophobicContact CZ-CG2 3.92Å; V259-V269 WeakPolarHBondContact O-CA 3.43Å; V259-L270 HydrophobicContact CB-CB 4.35Å; V259-L270 PolarHBondContact N-O 3.44Å; V259-L270 PolarHBondContact O-N 3.45Å
260	I	94.8	Very high	92.4	Very high	33 Å²	33	70.9 Å²	70.9	17%	0.169	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	125.1	177.8	-56.3	168.6	0	0	0	107.7	S248 K249 K251 V269	S248-I260 WeakPolarHBondContact CA-O 3.46Å; S248-I260 WeakPolarHBondContact CB-O 3.34Å; S248-I260 PolarHBondContact N-O 2.81Å; K249-I260 PolarHBondContact N-O 3.31Å; K249-I260 PolarHBondContact O-N 3.1Å; K251-I260 HydrophobicContact CD-CD1 4.21Å; I260-V269 HydrophobicContact CG1-CG1 4.37Å; I260-V269 HydrophobicContact CG1-CG2 4.4Å
261	G	94.3	Very high	92.5	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	-164.8	-179.4	0	0	0	0	0	113.1	D246 L268	D246-G261 CarbonylContact O-C 3.5Å; D246-G261 WeakPolarHBondContact O-CA 3.48Å; G261-L268 PolarHBondContact N-O 3.37Å; G261-L268 PolarHBondContact O-N 3.36Å
262	V	92.4	Very high	92.8	Very high	61 Å²	61	70 Å²	70	37%	0.37	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	138.4	173.2	-178.9	0	0	0	0	108.6	D246 K266	D246-V262 WeakPolarHBondContact CB-O 3.42Å; D246-V262 PolarHBondContact O-N 3.36Å; D246-V262 VanDerWaalsContact O-N 3.14Å; V262-K266 CarbonylContact C-O 3.57Å; V262-K266 WeakPolarHBondContact CA-O 3.41Å
263	Q	87.5	Confident	92.9	Very high	72 Å²	72	72.5 Å²	72.5	34%	0.336	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	127	172.3	-161.4	178.4	48	0	0	109.5	L241 L242 E265 K266 L268	L241-Q263 PolarHBondContact O-NE2 2.58Å; L241-Q263 VanDerWaalsContact O-NE2 3.14Å; L242-Q263 HydrophobicContact CD2-CB 3.98Å; L242-Q263 HydrophobicContact CD2-CG 4.04Å; Q263-E265 VanDerWaalsContact C-N 3.31Å; Q263-E265 PolarHBondContact O-N 2.76Å; Q263-K266 PolarHBondContact N-O 3.24Å; Q263-K266 PolarHBondContact O-N 3.2Å; Q263-L268 HydrophobicContact CB-CD2 4.11Å
264	K	86.1	Confident	93	Very high	195 Å²	195	66.3 Å²	66.3	85%	0.848	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	52.8	-171.3	-58.2	179	179.8	-179.3	0	111.3	K266	K264-K266 PolarHBondContact O-N 2.79Å
265	E	86.6	Confident	93.1	Very high	192 Å²	192	69 Å²	69	90%	0.897	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	-11.7	-177.9	-66.3	160.2	-159.1	0	0	116.5	Q263	Q263-E265 VanDerWaalsContact C-N 3.31Å; Q263-E265 PolarHBondContact O-N 2.76Å
266	K	89.4	Confident	92.9	Very high	167 Å²	167	66.7 Å²	66.7	73%	0.726	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	137.9	177.4	-61.3	-170.5	179.7	-170.8	0	111.2	V262 Q263 K264 L268	V262-K266 CarbonylContact C-O 3.57Å; V262-K266 WeakPolarHBondContact CA-O 3.41Å; Q263-K266 PolarHBondContact N-O 3.24Å; Q263-K266 PolarHBondContact O-N 3.2Å; K264-K266 PolarHBondContact O-N 2.79Å; K266-L268 PolarHBondContact O-N 2.72Å
267	K	92.8	Very high	92.7	Very high	168 Å²	168	68.9 Å²	68.9	73%	0.73	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.1	121.9	170.9	178.3	-175.1	174.4	-171.6	0	109.5
268	L	93.3	Very high	92.2	Very high	39 Å²	39	72 Å²	72	20%	0.204	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	138.7	178.6	-175.4	65.5	0	0	0	110.1	L242 G261 Q263 K266 L270	L242-L268 HydrophobicContact CD1-CD2 3.99Å; L242-L268 HydrophobicContact CD2-CD2 3.76Å; L242-L268 HydrophobicContact CG-CD2 4.42Å; G261-L268 PolarHBondContact N-O 3.37Å; G261-L268 PolarHBondContact O-N 3.36Å; Q263-L268 HydrophobicContact CB-CD2 4.11Å; K266-L268 PolarHBondContact O-N 2.72Å; L268-L270 HydrophobicContact CD1-CD2 3.97Å; L268-L270 HydrophobicContact CD2-CD1 4.22Å; L268-L270 HydrophobicContact CD2-CD2 4.07Å; L268-L270 HydrophobicContact CD2-CG 4.03Å; L268-L270 HydrophobicContact CG-CD2 4.05Å; L268-L270 HydrophobicContact CG-CG 4.07Å
269	V	94.6	Very high	91.9	Very high	71 Å²	71	69.5 Å²	69.5	43%	0.43	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	114.5	170.1	-176.4	0	0	0	0	107.3	V259 I260	V259-V269 WeakPolarHBondContact O-CA 3.43Å; I260-V269 HydrophobicContact CG1-CG1 4.37Å; I260-V269 HydrophobicContact CG1-CG2 4.4Å
270	L	95	Very high	91.7	Very high	17 Å²	17	69.5 Å²	69.5	9%	0.089	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	135.5	173.4	-56.9	176.1	0	0	0	109.2	F230 V232 H240 L242 Y258 V259 L268 F272	F230-L270 HydrophobicContact CE1-CD1 4.02Å; V232-L270 HydrophobicContact CG2-CD1 4.44Å; H240-L270 HydrophobicContact CB-CD1 4.32Å; L242-L270 HydrophobicContact CD1-CD1 3.91Å; Y258-L270 WeakPolarHBondContact CA-O 3.4Å; V259-L270 HydrophobicContact CB-CB 4.35Å; V259-L270 PolarHBondContact N-O 3.44Å; V259-L270 PolarHBondContact O-N 3.45Å; L268-L270 HydrophobicContact CD1-CD2 3.97Å; L268-L270 HydrophobicContact CD2-CD1 4.22Å; L268-L270 HydrophobicContact CD2-CD2 4.07Å; L268-L270 HydrophobicContact CD2-CG 4.03Å; L268-L270 HydrophobicContact CG-CD2 4.05Å; L268-L270 HydrophobicContact CG-CG 4.07Å; L270-F272 HydrophobicContact CB-CD2 4.44Å; L270-F272 HydrophobicContact CB-CE2 3.55Å; L270-F272 HydrophobicContact CB-CZ 3.97Å; L270-F272 HydrophobicContact CD1-CE2 4.35Å; L270-F272 HydrophobicContact CD1-CZ 4.39Å
271	T	96	Very high	91.5	Very high	40 Å²	40	72.2 Å²	72.2	25%	0.245	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	126.5	-174.2	-58.2	0	0	0	0	109.6	T256 Y258	T256-T271 HydrophobicContact CG2-CG2 3.47Å; T256-T271 VanDerWaalsContact CG2-CG2 3.47Å; Y258-T271 HydrophobicContact CD1-CG2 4.03Å; Y258-T271 HydrophobicContact CE1-CG2 3.69Å
272	F	97.1	Very high	91.3	Very high	8 Å²	8	73.5 Å²	73.5	4%	0.035	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	141.2	-176.5	-60.8	-74.1	0	0	0	112.1	C213 K214 D215 A221 L223 F230 V232 T256 F257 L270	C213-F272 HydrophobicContact CB-CB 4.39Å; K214-F272 CarbonylContact O-C 3.57Å; K214-F272 VanDerWaalsContact O-CA 3.31Å; K214-F272 WeakPolarHBondContact O-CA 3.43Å; D215-F272 HydrophobicContact CB-CD1 4.16Å; D215-F272 HydrophobicContact CB-CE1 4.16Å; A221-F272 HydrophobicContact CB-CE1 4.46Å; L223-F272 HydrophobicContact CD1-CB 3.99Å; L223-F272 HydrophobicContact CD1-CD1 4.46Å; L223-F272 HydrophobicContact CD1-CD2 3.87Å; L223-F272 HydrophobicContact CD1-CG 3.85Å; L223-F272 HydrophobicContact CD2-CD1 3.88Å; L223-F272 HydrophobicContact CD2-CD2 4.04Å; L223-F272 HydrophobicContact CD2-CE1 3.81Å; L223-F272 HydrophobicContact CD2-CE2 3.96Å; L223-F272 HydrophobicContact CD2-CG 4.01Å; L223-F272 HydrophobicContact CD2-CZ 3.86Å; F230-F272 HydrophobicContact CE1-CE2 4.09Å; F230-F272 HydrophobicContact CZ-CD2 4.39Å; F230-F272 AromaticContact CZ-CE2 3.81Å; F230-F272 HydrophobicContact CZ-CE2 3.81Å; V232-F272 HydrophobicContact CG1-CE1 4.04Å; V232-F272 HydrophobicContact CG1-CZ 3.98Å; V232-F272 HydrophobicContact CG2-CE2 4.26Å; V232-F272 HydrophobicContact CG2-CZ 3.74Å; T256-F272 CarbonylContact C-O 3.59Å; T256-F272 WeakPolarHBondContact CA-O 3.47Å; F257-F272 HydrophobicContact CD1-CD2 4.33Å; F257-F272 PolarHBondContact N-O 2.96Å; F257-F272 PolarHBondContact O-N 2.8Å; L270-F272 HydrophobicContact CB-CD2 4.44Å; L270-F272 HydrophobicContact CB-CE2 3.55Å; L270-F272 HydrophobicContact CB-CZ 3.97Å; L270-F272 HydrophobicContact CD1-CE2 4.35Å; L270-F272 HydrophobicContact CD1-CZ 4.39Å
273	H	95.9	Very high	91.3	Very high	75 Å²	75	70.8 Å²	70.8	35%	0.347	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	119.7	-175.5	-61.2	103.5	0	0	0	110.8	C213 K214 D215 T256	C213-H273 WeakPolarHBondContact CB-O 3.48Å; K214-H273 HydrophobicContact CB-CB 4.34Å; K214-H273 PolarHBondContact N-O 3.34Å; K214-H273 PolarHBondContact O-N 2.82Å; D215-H273 PolarHBondContact O-ND1 2.97Å; T256-H273 PolarHBondContact OG1-CD2 2.9Å; T256-H273 VanDerWaalsContact OG1-CD2 3.25Å
274	T	92.9	Very high	91.7	Very high	14 Å²	14	67.5 Å²	67.5	9%	0.086	35%	0.346	C	S	.	.			trans	-96	163.7	176.4	60.9	0	0	0	0	111.7	C213 K255 T276 C280 L283	C213-T274 HydrophobicContact CB-CG2 4.39Å; K255-T274 PolarHBondContact O-N 3.33Å; K255-T274 PolarHBondContact O-OG1 3.09Å; T274-T276 PolarHBondContact O-N 2.91Å; T274-T276 PolarHBondContact OG1-O 3.02Å; T274-T276 VanDerWaalsContact OG1-O 3.13Å; T274-C280 HydrophobicContact CG2-CB 4.33Å; T274-C280 VanDerWaalsContact OG1-CB 3.22Å; T274-C280 WeakPolarHBondContact OG1-CB 3.43Å; T274-C280 PolarHBondContact OG1-N 2.7Å; T274-L283 HydrophobicContact CG2-CD2 3.88Å
275	T	90.3	Very high	92	Very high	100 Å²	100	60.6 Å²	60.6	61%	0.613	32%	0.316	S	S	*	.	S	Bend	trans	-65.9	-37.4	179.9	53.4	0	0	0	0	112.8	K255	K255-T275 WeakPolarHBondContact CD-O 3.31Å; K255-T275 VanDerWaalsContact CE-O 3.27Å; K255-T275 WeakPolarHBondContact CE-O 3.17Å; K255-T275 PolarHBondContact NZ-O 3.14Å
276	T	89.6	Confident	92.3	Very high	59 Å²	59	51.7 Å²	51.7	36%	0.362	28%	0.275	S	S	.	.	S	Bend	trans	-138	152.7	-176.7	73	0	0	0	0	112.4	T274 A278 A279 C280	T274-T276 PolarHBondContact O-N 2.91Å; T274-T276 PolarHBondContact OG1-O 3.02Å; T274-T276 VanDerWaalsContact OG1-O 3.13Å; T276-A278 PolarHBondContact O-N 2.86Å; T276-A279 PolarHBondContact O-N 2.97Å; T276-A279 VanDerWaalsContact O-N 3.16Å; T276-A279 PolarHBondContact OG1-N 2.74Å; T276-A279 VanDerWaalsContact OG1-N 3.09Å; T276-C280 PolarHBondContact O-N 3.26Å
277	P	89.9	Confident	92.6	Very high	68 Å²	68	43.7 Å²	43.7	44%	0.442	24%	0.24	S	C	.	.	H	α-helix	trans	-61.8	-24.5	173.7	-23.4	35.3	0	0	0	113.6	G254 K255 K281	G254-P277 WeakPolarHBondContact O-CA 3.38Å; G254-P277 WeakPolarHBondContact O-CB 3.24Å; K255-P277 HydrophobicContact CG-CG 3.98Å; P277-K281 VanDerWaalsContact O-CB 3.3Å; P277-K281 WeakPolarHBondContact O-CB 3.39Å; P277-K281 PolarHBondContact O-N 2.83Å
278	A	86.6	Confident	92.7	Very high	65 Å²	65	36 Å²	36	54%	0.537	21%	0.207	S	C	.	.	H	α-helix	trans	-68.3	-45.6	174.4	0	0	0	0	0	111.5	T276 K281 H282	T276-A278 PolarHBondContact O-N 2.86Å; A278-K281 PolarHBondContact O-N 3.46Å; A278-H282 WeakPolarHBondContact O-CB 3.37Å; A278-H282 PolarHBondContact O-N 2.96Å
279	A	88.8	Confident	92.7	Very high	16 Å²	16	35 Å²	35	13%	0.132	20%	0.202	C	C	.	.	H	α-helix	trans	-61.7	-43.2	173.1	0	0	0	0	0	111.3	T276 K281 H282 L283	T276-A279 PolarHBondContact O-N 2.97Å; T276-A279 VanDerWaalsContact O-N 3.16Å; T276-A279 PolarHBondContact OG1-N 2.74Å; T276-A279 VanDerWaalsContact OG1-N 3.09Å; A279-K281 PolarHBondContact O-N 3Å; A279-H282 PolarHBondContact O-N 2.88Å; A279-L283 WeakPolarHBondContact O-CB 3.42Å; A279-L283 PolarHBondContact O-N 2.91Å
280	C	92.4	Very high	92.8	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58.3	-45.6	175.3	-150	0	0	0	0	112.9	F252 K255 T256 T274 T276 L283 W284	F252-C280 HydrophobicContact CD2-CB 4.15Å; K255-C280 PolarHBondContact O-SG 3.45Å; T256-C280 PolarHBondContact O-SG 2.91Å; T274-C280 HydrophobicContact CG2-CB 4.33Å; T274-C280 VanDerWaalsContact OG1-CB 3.22Å; T274-C280 WeakPolarHBondContact OG1-CB 3.43Å; T274-C280 PolarHBondContact OG1-N 2.7Å; T276-C280 PolarHBondContact O-N 3.26Å; C280-L283 PolarHBondContact O-N 2.91Å; C280-W284 WeakPolarHBondContact O-CB 3.2Å; C280-W284 PolarHBondContact O-N 2.93Å
281	K	90.9	Very high	92.8	Very high	89 Å²	89	33 Å²	33	39%	0.387	19%	0.187	S	C	.	.	H	α-helix	trans	-66.5	-35.6	177.4	-179.2	168.2	177	160.6	0	112.7	F252 P277 A278 A279 K285 S315	F252-K281 HydrophobicContact CE1-CB 4.18Å; F252-K281 HydrophobicContact CE1-CG 4.1Å; F252-K281 HydrophobicContact CE2-CB 3.79Å; F252-K281 HydrophobicContact CE2-CG 4.35Å; F252-K281 HydrophobicContact CZ-CB 3.59Å; F252-K281 HydrophobicContact CZ-CD 3.96Å; F252-K281 HydrophobicContact CZ-CG 3.66Å; P277-K281 VanDerWaalsContact O-CB 3.3Å; P277-K281 WeakPolarHBondContact O-CB 3.39Å; P277-K281 PolarHBondContact O-N 2.83Å; A278-K281 PolarHBondContact O-N 3.46Å; A279-K281 PolarHBondContact O-N 3Å; K281-K285 PolarHBondContact O-N 3.3Å; K281-K285 VanDerWaalsContact O-N 3.09Å; K281-S315 WeakPolarHBondContact CE-OG 3.18Å; K281-S315 PolarHBondContact NZ-OG 2.95Å
282	H	89.2	Confident	92.8	Very high	28 Å²	28	31.3 Å²	31.3	13%	0.13	18%	0.178	C	C	.	.	H	α-helix	trans	-66	-51	173.6	170.1	100.2	0	0	0	111.1	R68 H69 H211 A278 A279 W284 K285 C286	R68-H282 PolarHBondContact O-CE1 3.3Å; H69-H282 AromaticContact CE1-ND1 3.63Å; H69-H282 AromaticContact CG-ND1 3.94Å; H69-H282 AromaticContact ND1-CE1 3.88Å; H69-H282 AromaticContact ND1-CG 3.94Å; H69-H282 AromaticContact ND1-ND1 3.02Å; H69-H282 PolarHBondContact ND1-ND1 2.85Å; H211-H282 AromaticContact CE1-CD2 3.69Å; H211-H282 AromaticContact CE1-NE2 3.39Å; H211-H282 PolarHBondContact CE1-NE2 3.46Å; H211-H282 AromaticContact ND1-CD2 3.99Å; H211-H282 AromaticContact ND1-NE2 3.99Å; A278-H282 WeakPolarHBondContact O-CB 3.37Å; A278-H282 PolarHBondContact O-N 2.96Å; A279-H282 PolarHBondContact O-N 2.88Å; H282-W284 VanDerWaalsContact C-N 3.3Å; H282-W284 PolarHBondContact O-N 3.43Å; H282-K285 WeakPolarHBondContact O-CB 3.25Å; H282-K285 PolarHBondContact O-N 3.07Å; H282-K285 VanDerWaalsContact O-N 3.12Å; H282-C286 PolarHBondContact NE2-SG 2.88Å; H282-C286 VanDerWaalsContact NE2-SG 3.37Å; H282-C286 PolarHBondContact O-N 2.94Å; H282-C286 PolarHBondContact O-SG 3.18Å
283	L	92.9	Very high	92.7	Very high	4 Å²	4	31 Å²	31	2%	0.021	18%	0.176	C	C	.	.	H	α-helix	trans	-53.8	-46.3	176.3	170.6	68.6	0	0	0	111.3	H211 L223 F225 F257 T274 A279 C280 C286 G287	H211-L283 HydrophobicContact CB-CD1 3.8Å; L223-L283 HydrophobicContact CB-CD1 4.28Å; L223-L283 HydrophobicContact CD1-CD1 4.1Å; L223-L283 HydrophobicContact CD1-CD2 3.82Å; F225-L283 HydrophobicContact CE2-CD1 3.82Å; F225-L283 HydrophobicContact CZ-CD1 3.69Å; F225-L283 HydrophobicContact CZ-CG 4.46Å; F225-L283 WeakPolarHBondContact CZ-O 3.4Å; F257-L283 HydrophobicContact CB-CD2 3.75Å; F257-L283 HydrophobicContact CD1-CD2 3.59Å; F257-L283 HydrophobicContact CD1-CG 4.08Å; F257-L283 HydrophobicContact CD2-CD2 4.13Å; F257-L283 HydrophobicContact CD2-CG 4.24Å; F257-L283 HydrophobicContact CE1-CD2 4.16Å; F257-L283 HydrophobicContact CE1-CG 4.16Å; F257-L283 HydrophobicContact CE2-CG 4.35Å; F257-L283 HydrophobicContact CG-CD2 3.56Å; F257-L283 HydrophobicContact CG-CG 4.11Å; F257-L283 HydrophobicContact CZ-CG 4.3Å; T274-L283 HydrophobicContact CG2-CD2 3.88Å; A279-L283 WeakPolarHBondContact O-CB 3.42Å; A279-L283 PolarHBondContact O-N 2.91Å; C280-L283 PolarHBondContact O-N 2.91Å; L283-C286 PolarHBondContact O-N 2.97Å; L283-G287 PolarHBondContact O-N 2.82Å
284	W	94.6	Very high	92.7	Very high	2 Å²	2	29 Å²	29	1%	0.008	17%	0.166	C	C	.	.	H	α-helix	trans	-63.9	-41.1	176.5	172.3	81.7	0	0	0	113.4	L250 F252 F257 C280 H282 G287 V288 V305 S315 F317	L250-W284 PolarHBondContact O-NE1 3.03Å; L250-W284 VanDerWaalsContact O-NE1 3.14Å; F252-W284 HydrophobicContact CB-CB 4.26Å; F252-W284 HydrophobicContact CD1-CB 3.58Å; F252-W284 AromaticContact CD1-CD2 3.62Å; F252-W284 HydrophobicContact CD1-CD2 3.62Å; F252-W284 AromaticContact CD1-CE3 3.95Å; F252-W284 HydrophobicContact CD1-CE3 3.95Å; F252-W284 AromaticContact CD1-CG 3.46Å; F252-W284 HydrophobicContact CD1-CG 3.46Å; F252-W284 VanDerWaalsContact CD1-CG 3.46Å; F252-W284 HydrophobicContact CE1-CB 4.29Å; F252-W284 AromaticContact CE1-CD2 3.77Å; F252-W284 HydrophobicContact CE1-CD2 3.77Å; F252-W284 AromaticContact CE1-CE3 3.61Å; F252-W284 HydrophobicContact CE1-CE3 3.61Å; F252-W284 HydrophobicContact CE1-CG 4.09Å; F252-W284 HydrophobicContact CE1-CZ3 4.17Å; F252-W284 HydrophobicContact CG-CB 4.2Å; F252-W284 HydrophobicContact CG-CG 4.41Å; F257-W284 HydrophobicContact CD2-CB 4.17Å; F257-W284 HydrophobicContact CE2-CB 3.97Å; C280-W284 WeakPolarHBondContact O-CB 3.2Å; C280-W284 PolarHBondContact O-N 2.93Å; H282-W284 VanDerWaalsContact C-N 3.3Å; H282-W284 PolarHBondContact O-N 3.43Å; W284-G287 PolarHBondContact O-N 3.48Å; W284-V288 HydrophobicContact CD2-CG2 4.37Å; W284-V288 HydrophobicContact CZ2-CG2 4.3Å; W284-V288 WeakPolarHBondContact O-CG2 3.22Å; W284-V288 PolarHBondContact O-N 3.08Å; W284-V305 HydrophobicContact CZ2-CB 4.25Å; W284-V305 HydrophobicContact CZ2-CG1 3.94Å; W284-S315 VanDerWaalsContact CH2-O 3.31Å; W284-S315 WeakPolarHBondContact CH2-O 3.41Å; W284-F317 HydrophobicContact CH2-CB 3.7Å; W284-F317 HydrophobicContact CZ3-CB 3.69Å
285	K	92.6	Very high	92.8	Very high	50 Å²	50	32.2 Å²	32.2	22%	0.217	18%	0.179	C	C	.	.	H	α-helix	trans	-57.9	-52.3	171.9	-80.9	179.2	169	-175.4	0	110.8	E72 K281 H282 G287 V288 E289 F317	E72-K285 IonicContact OE1-NZ 2.81Å; E72-K285 PolarHBondContact OE1-NZ 2.96Å; E72-K285 IonicContact OE2-NZ 2.67Å; K281-K285 PolarHBondContact O-N 3.3Å; K281-K285 VanDerWaalsContact O-N 3.09Å; H282-K285 WeakPolarHBondContact O-CB 3.25Å; H282-K285 PolarHBondContact O-N 3.07Å; H282-K285 VanDerWaalsContact O-N 3.12Å; K285-G287 VanDerWaalsContact C-N 3.28Å; K285-G287 PolarHBondContact O-N 2.99Å; K285-V288 CarbonylContact O-C 3.59Å; K285-V288 PolarHBondContact O-N 2.86Å; K285-V288 VanDerWaalsContact O-N 3.09Å; K285-E289 WeakPolarHBondContact O-CG 3.41Å; K285-E289 PolarHBondContact O-N 2.83Å; K285-F317 HydrophobicContact CD-CD2 4.43Å; K285-F317 HydrophobicContact CD-CE2 4.47Å; K285-F317 HydrophobicContact CG-CD2 4.06Å; K285-F317 HydrophobicContact CG-CE2 4.37Å; K285-F317 HydrophobicContact CG-CG 4.31Å
286	C	93.7	Very high	92.8	Very high	5 Å²	5	29.2 Å²	29.2	3%	0.034	16%	0.161	C	C	.	.	H	α-helix	trans	-60.1	-39.9	-177.1	-66.7	0	0	0	0	111.5	F225 H282 L283 E289 N290	F225-C286 HydrophobicContact CD2-CB 4.11Å; F225-C286 HydrophobicContact CE2-CB 3.89Å; H282-C286 PolarHBondContact NE2-SG 2.88Å; H282-C286 VanDerWaalsContact NE2-SG 3.37Å; H282-C286 PolarHBondContact O-N 2.94Å; H282-C286 PolarHBondContact O-SG 3.18Å; L283-C286 PolarHBondContact O-N 2.97Å; C286-E289 PolarHBondContact O-N 3.04Å; C286-N290 WeakPolarHBondContact O-CB 3.19Å; C286-N290 PolarHBondContact O-N 3.26Å; C286-N290 PolarHBondContact O-ND2 3.46Å
287	G	95.3	Very high	92.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64	-42.3	173.5	0	0	0	0	0	113.5	L250 L283 W284 K285 Q291	L250-G287 WeakPolarHBondContact CD1-O 3.5Å; L283-G287 PolarHBondContact O-N 2.82Å; W284-G287 PolarHBondContact O-N 3.48Å; K285-G287 VanDerWaalsContact C-N 3.28Å; K285-G287 PolarHBondContact O-N 2.99Å; G287-Q291 VanDerWaalsContact O-CB 3.22Å; G287-Q291 WeakPolarHBondContact O-CB 3.32Å; G287-Q291 PolarHBondContact O-N 3.08Å
288	V	94.4	Very high	92.9	Very high	5 Å²	5	30.9 Å²	30.9	3%	0.03	17%	0.166	C	C	.	.	H	α-helix	trans	-68.3	-38	176.1	170.8	0	0	0	0	111.9	L250 W284 K285 A292 V305 F317	L250-V288 HydrophobicContact CB-CG2 4.46Å; L250-V288 HydrophobicContact CD1-CG2 4.45Å; W284-V288 HydrophobicContact CD2-CG2 4.37Å; W284-V288 HydrophobicContact CZ2-CG2 4.3Å; W284-V288 WeakPolarHBondContact O-CG2 3.22Å; W284-V288 PolarHBondContact O-N 3.08Å; K285-V288 CarbonylContact O-C 3.59Å; K285-V288 PolarHBondContact O-N 2.86Å; K285-V288 VanDerWaalsContact O-N 3.09Å; V288-A292 WeakPolarHBondContact O-CB 3.12Å; V288-A292 PolarHBondContact O-N 3.4Å; V288-V305 HydrophobicContact CG1-CB 4.1Å; V288-V305 HydrophobicContact CG1-CG2 3.67Å; V288-V305 HydrophobicContact CG2-CB 4.45Å; V288-V305 HydrophobicContact CG2-CG1 4.21Å; V288-F317 HydrophobicContact CB-CD1 4.38Å; V288-F317 HydrophobicContact CG1-CD1 3.83Å; V288-F317 HydrophobicContact CG1-CE1 4.34Å
289	E	94.6	Very high	93	Very high	20 Å²	20	29.7 Å²	29.7	9%	0.093	15%	0.153	C	C	.	.	H	α-helix	trans	-64.3	-47.1	175.1	-73.4	-170.6	132.8	0	0	112.2	K95 F96 K285 C286 A292 F293 F317 Y319	K95-E289 WeakPolarHBondContact CE-OE2 3.35Å; K95-E289 IonicContact NZ-OE1 2.7Å; K95-E289 PolarHBondContact NZ-OE1 3.39Å; K95-E289 IonicContact NZ-OE2 3.08Å; K95-E289 PolarHBondContact NZ-OE2 2.95Å; F96-E289 HydrophobicContact CE1-CB 4.43Å; F96-E289 HydrophobicContact CZ-CB 4.3Å; K285-E289 WeakPolarHBondContact O-CG 3.41Å; K285-E289 PolarHBondContact O-N 2.83Å; C286-E289 PolarHBondContact O-N 3.04Å; E289-A292 PolarHBondContact O-N 3.09Å; E289-F293 WeakPolarHBondContact O-CB 3.37Å; E289-F293 PolarHBondContact O-N 2.86Å; E289-F317 HydrophobicContact CG-CE1 3.48Å; E289-F317 VanDerWaalsContact CG-CE1 3.48Å; E289-F317 HydrophobicContact CG-CZ 3.54Å; E289-Y319 HydrophobicContact CB-CD2 4.29Å; E289-Y319 HydrophobicContact CB-CE2 4.44Å; E289-Y319 HydrophobicContact CG-CD2 4.25Å
290	N	96.1	Very high	93	Very high	14 Å²	14	33.4 Å²	33.4	8%	0.075	18%	0.178	C	C	.	.	H	α-helix	trans	-68.5	-40.5	178	-77.8	-89.9	0	0	0	111.4	F96 F225 W244 C286 A292 F293 Y294	F96-N290 WeakPolarHBondContact CD1-OD1 3.49Å; F225-N290 HydrophobicContact CB-CB 3.71Å; F225-N290 HydrophobicContact CG-CB 4.39Å; W244-N290 HydrophobicContact CH2-CB 3.88Å; W244-N290 HydrophobicContact CZ2-CB 3.72Å; C286-N290 WeakPolarHBondContact O-CB 3.19Å; C286-N290 PolarHBondContact O-N 3.26Å; C286-N290 PolarHBondContact O-ND2 3.46Å; N290-A292 VanDerWaalsContact C-N 3.32Å; N290-A292 PolarHBondContact O-N 3.46Å; N290-F293 PolarHBondContact O-N 2.65Å; N290-Y294 HydrophobicContact CB-CD2 4.21Å; N290-Y294 HydrophobicContact CB-CE2 4.05Å; N290-Y294 WeakPolarHBondContact O-CD2 3.45Å; N290-Y294 PolarHBondContact O-N 2.81Å; N290-Y294 VanDerWaalsContact OD1-CE2 3.28Å; N290-Y294 WeakPolarHBondContact OD1-CE2 3.48Å
291	Q	95.1	Very high	92.6	Very high	30 Å²	30	39 Å²	39	14%	0.14	20%	0.204	C	C	.	.	H	α-helix	trans	-59.5	-44.6	173.3	-171.8	174.9	39	0	0	111.1	W244 V247 G287 K295	W244-Q291 HydrophobicContact CE3-CB 3.8Å; W244-Q291 HydrophobicContact CE3-CG 3.84Å; W244-Q291 HydrophobicContact CH2-CB 4.29Å; W244-Q291 HydrophobicContact CZ3-CB 3.57Å; W244-Q291 HydrophobicContact CZ3-CG 4.06Å; V247-Q291 PolarHBondContact O-NE2 3.38Å; G287-Q291 VanDerWaalsContact O-CB 3.22Å; G287-Q291 WeakPolarHBondContact O-CB 3.32Å; G287-Q291 PolarHBondContact O-N 3.08Å; Q291-K295 HydrophobicContact CG-CB 4.24Å; Q291-K295 HydrophobicContact CG-CD 4.12Å; Q291-K295 WeakPolarHBondContact O-CA 3.44Å; Q291-K295 WeakPolarHBondContact O-CB 3.48Å; Q291-K295 PolarHBondContact O-N 2.84Å
292	A	95.3	Very high	92.4	Very high	5 Å²	5	35.7 Å²	35.7	4%	0.041	19%	0.19	C	C	.	.	H	α-helix	trans	-61.3	-49.1	176.4	0	0	0	0	0	112	V288 E289 N290 C296 I302 Y319 V323	V288-A292 WeakPolarHBondContact O-CB 3.12Å; V288-A292 PolarHBondContact O-N 3.4Å; E289-A292 PolarHBondContact O-N 3.09Å; N290-A292 VanDerWaalsContact C-N 3.32Å; N290-A292 PolarHBondContact O-N 3.46Å; A292-C296 WeakPolarHBondContact O-CB 3.37Å; A292-C296 PolarHBondContact O-N 2.64Å; A292-I302 HydrophobicContact CB-CD1 3.99Å; A292-I302 HydrophobicContact CB-CG2 4.38Å; A292-Y319 HydrophobicContact CB-CD1 4.2Å; A292-Y319 HydrophobicContact CB-CD2 3.79Å; A292-Y319 HydrophobicContact CB-CE2 4.47Å; A292-Y319 HydrophobicContact CB-CG 3.63Å; A292-V323 WeakPolarHBondContact O-CG1 3.14Å
293	F	96.1	Very high	92.2	Very high	1 Å²	1	43 Å²	43	0%	0.004	22%	0.222	C	C	.	.	H	α-helix	trans	-63.5	-47.5	-177.1	-175.1	-103.5	0	0	0	113	Y56 F96 E289 N290 Y319 K322 A324 V327	Y56-F293 HydrophobicContact CD1-CZ 4.11Å; Y56-F293 HydrophobicContact CE1-CZ 4.08Å; F96-F293 HydrophobicContact CB-CD1 3.64Å; F96-F293 HydrophobicContact CB-CE1 3.36Å; F96-F293 HydrophobicContact CB-CE2 4.46Å; F96-F293 HydrophobicContact CB-CG 4.32Å; F96-F293 HydrophobicContact CB-CZ 3.81Å; F96-F293 HydrophobicContact CD1-CB 4.01Å; F96-F293 AromaticContact CD1-CD1 3.74Å; F96-F293 HydrophobicContact CD1-CD1 3.74Å; F96-F293 HydrophobicContact CD1-CE1 4.37Å; F96-F293 AromaticContact CD1-CG 3.87Å; F96-F293 HydrophobicContact CD1-CG 3.87Å; F96-F293 HydrophobicContact CD2-CD1 4.22Å; F96-F293 AromaticContact CD2-CD2 3.95Å; F96-F293 HydrophobicContact CD2-CD2 3.95Å; F96-F293 HydrophobicContact CD2-CE1 4.32Å; F96-F293 HydrophobicContact CD2-CE2 4.03Å; F96-F293 HydrophobicContact CD2-CG 4.04Å; F96-F293 HydrophobicContact CD2-CZ 4.22Å; F96-F293 HydrophobicContact CE1-CB 3.87Å; F96-F293 HydrophobicContact CE1-CD1 4.46Å; F96-F293 HydrophobicContact CE1-CG 4.15Å; F96-F293 HydrophobicContact CE2-CD2 4.17Å; F96-F293 HydrophobicContact CE2-CG 4.31Å; F96-F293 HydrophobicContact CG-CB 4.42Å; F96-F293 AromaticContact CG-CD1 3.61Å; F96-F293 HydrophobicContact CG-CD1 3.61Å; F96-F293 HydrophobicContact CG-CD2 4.18Å; F96-F293 AromaticContact CG-CE1 3.8Å; F96-F293 HydrophobicContact CG-CE1 3.8Å; F96-F293 HydrophobicContact CG-CE2 4.31Å; F96-F293 AromaticContact CG-CG 3.81Å; F96-F293 HydrophobicContact CG-CG 3.81Å; F96-F293 HydrophobicContact CG-CZ 4.14Å; F96-F293 HydrophobicContact CZ-CB 4.16Å; F96-F293 HydrophobicContact CZ-CG 4.36Å; E289-F293 WeakPolarHBondContact O-CB 3.37Å; E289-F293 PolarHBondContact O-N 2.86Å; N290-F293 PolarHBondContact O-N 2.65Å; F293-Y319 WeakPolarHBondContact CD2-OH 3.34Å; F293-K322 VanDerWaalsContact CD2-O 3.32Å; F293-K322 WeakPolarHBondContact CD2-O 3.38Å; F293-A324 HydrophobicContact CD1-CB 3.91Å; F293-A324 HydrophobicContact CE1-CB 3.62Å; F293-A324 HydrophobicContact CE2-CB 4.4Å; F293-A324 HydrophobicContact CG-CB 4.41Å; F293-A324 HydrophobicContact CZ-CB 3.9Å; F293-A324 VanDerWaalsContact O-CB 3.25Å; F293-A324 WeakPolarHBondContact O-CB 2.97Å; F293-A324 PolarHBondContact O-N 2.95Å; F293-V327 HydrophobicContact CE2-CG2 3.88Å; F293-V327 HydrophobicContact CZ-CG2 4.26Å
294	Y	95.8	Very high	91.9	Very high	34 Å²	34	46.4 Å²	46.4	13%	0.133	24%	0.243	C	C	.	.	H	α-helix	trans	-91.4	-28.3	-175.3	-54.7	-67.8	0	0	0	114.7	F96 Y97 T226 A227 W244 N290 A324	F96-Y294 WeakPolarHBondContact CA-OH 3.46Å; F96-Y294 HydrophobicContact CD1-CE2 4.43Å; Y97-Y294 PolarHBondContact N-OH 3.35Å; Y97-Y294 VanDerWaalsContact N-OH 3.07Å; Y97-Y294 WeakPolarHBondContact O-CE1 3.06Å; Y97-Y294 PolarHBondContact O-OH 3.01Å; T226-Y294 WeakPolarHBondContact O-CD2 3.42Å; T226-Y294 WeakPolarHBondContact O-CE2 3.46Å; A227-Y294 HydrophobicContact CB-CD1 4.02Å; A227-Y294 HydrophobicContact CB-CE1 3.65Å; W244-Y294 AromaticContact CE2-CD2 3.88Å; W244-Y294 HydrophobicContact CZ2-CD2 4.16Å; W244-Y294 AromaticContact NE1-CD2 3.34Å; W244-Y294 VanDerWaalsContact NE1-CD2 3.34Å; W244-Y294 AromaticContact NE1-CG 3.8Å; N290-Y294 HydrophobicContact CB-CD2 4.21Å; N290-Y294 HydrophobicContact CB-CE2 4.05Å; N290-Y294 WeakPolarHBondContact O-CD2 3.45Å; N290-Y294 PolarHBondContact O-N 2.81Å; N290-Y294 VanDerWaalsContact OD1-CE2 3.28Å; N290-Y294 WeakPolarHBondContact OD1-CE2 3.48Å; Y294-A324 HydrophobicContact CD1-CB 4.32Å
295	K	93.9	Very high	91.3	Very high	82 Å²	82	48.3 Å²	48.3	36%	0.357	26%	0.255	S	S	.	.	H	α-helix	trans	-86.8	-39.5	-176	-162.8	-179.2	-176.9	145.5	0	113.4	W244 G245 V247 Q291	W244-K295 HydrophobicContact CB-CB 4.11Å; W244-K295 HydrophobicContact CB-CG 4.29Å; W244-K295 WeakPolarHBondContact O-CD 3.31Å; W244-K295 WeakPolarHBondContact O-CE 3.42Å; W244-K295 PolarHBondContact O-NZ 2.97Å; G245-K295 PolarHBondContact O-NZ 3.18Å; V247-K295 PolarHBondContact O-NZ 2.95Å; Q291-K295 HydrophobicContact CG-CB 4.24Å; Q291-K295 HydrophobicContact CG-CD 4.12Å; Q291-K295 WeakPolarHBondContact O-CA 3.44Å; Q291-K295 WeakPolarHBondContact O-CB 3.48Å; Q291-K295 PolarHBondContact O-N 2.84Å
296	C	91.5	Very high	90.8	Very high	36 Å²	36	47.5 Å²	47.5	24%	0.243	26%	0.256	C	S	.	.			trans	-77.5	147.6	-168.9	-68.3	0	0	0	0	112.2	A292 I302 V323	A292-C296 WeakPolarHBondContact O-CB 3.37Å; A292-C296 PolarHBondContact O-N 2.64Å; C296-I302 HydrophobicContact CB-CD1 4.37Å; C296-I302 HydrophobicContact CB-CG1 4.04Å; C296-V323 HydrophobicContact CB-CG1 3.95Å
297	A	90.4	Very high	89.9	Confident	47 Å²	47	47.9 Å²	47.9	39%	0.388	26%	0.258	S	S	.	.	S	Bend	trans	-83.1	-35.7	-179.4	0	0	0	0	0	112.7
298	K	90.3	Very high	88.5	Confident	116 Å²	116	49.3 Å²	49.3	50%	0.504	27%	0.268	S	S	.	.			trans	-138.7	149.1	173.2	-64	-169.2	176.5	-170.4	0	110.9	S300 Q301 E326	K298-S300 VanDerWaalsContact C-N 3.34Å; K298-S300 PolarHBondContact O-N 3.21Å; K298-Q301 HydrophobicContact CB-CG 4.29Å; K298-Q301 PolarHBondContact O-N 2.74Å; K298-E326 WeakPolarHBondContact CA-OE1 3.43Å; K298-E326 WeakPolarHBondContact CB-OE1 3.43Å
299	S	90.1	Very high	86.7	Confident	40 Å²	40	54.6 Å²	54.6	28%	0.28	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-66.1	-34.6	178.5	49.1	0	0	0	0	112.7	Q301 I302 G321 E326	S299-Q301 PolarHBondContact O-N 3.21Å; S299-Q301 VanDerWaalsContact O-N 3.17Å; S299-I302 WeakPolarHBondContact O-CB 3.27Å; S299-I302 WeakPolarHBondContact O-CG1 3.31Å; S299-I302 PolarHBondContact O-N 3.15Å; S299-I302 VanDerWaalsContact O-N 3.09Å; S299-G321 WeakPolarHBondContact CB-O 3.2Å; S299-E326 WeakPolarHBondContact CB-OE2 3.39Å; S299-E326 VanDerWaalsContact N-CD 3.3Å; S299-E326 PolarHBondContact N-OE1 3.08Å; S299-E326 PolarHBondContact N-OE2 3.3Å; S299-E326 VanDerWaalsContact OG-CD 3.31Å; S299-E326 PolarHBondContact OG-OE1 3.03Å; S299-E326 VanDerWaalsContact OG-OE1 3.1Å; S299-E326 PolarHBondContact OG-OE2 3.41Å
300	S	87.6	Confident	84.7	Confident	93 Å²	93	58.9 Å²	58.9	65%	0.65	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-58.7	-26	176.3	59.2	0	0	0	0	114.1	K298 I302	K298-S300 VanDerWaalsContact C-N 3.34Å; K298-S300 PolarHBondContact O-N 3.21Å; S300-I302 VanDerWaalsContact C-N 3.29Å; S300-I302 PolarHBondContact O-N 2.99Å
301	Q	85.6	Confident	82.2	Confident	119 Å²	119	66 Å²	66	56%	0.556	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-78.7	-9.2	179.7	-63.9	175.1	-21.9	0	0	113.4	K298 S299 K303	K298-Q301 HydrophobicContact CB-CG 4.29Å; K298-Q301 PolarHBondContact O-N 2.74Å; S299-Q301 PolarHBondContact O-N 3.21Å; S299-Q301 VanDerWaalsContact O-N 3.17Å; Q301-K303 PolarHBondContact O-N 3.1Å
302	I	86.7	Confident	80.1	Confident	18 Å²	18	73.7 Å²	73.7	9%	0.092	38%	0.382	C	S	.	.			trans	-81	105.8	-171.6	-55.2	163.8	0	0	0	111.3	A292 C296 S299 S300 Y319 V323	A292-I302 HydrophobicContact CB-CD1 3.99Å; A292-I302 HydrophobicContact CB-CG2 4.38Å; C296-I302 HydrophobicContact CB-CD1 4.37Å; C296-I302 HydrophobicContact CB-CG1 4.04Å; S299-I302 WeakPolarHBondContact O-CB 3.27Å; S299-I302 WeakPolarHBondContact O-CG1 3.31Å; S299-I302 PolarHBondContact O-N 3.15Å; S299-I302 VanDerWaalsContact O-N 3.09Å; S300-I302 VanDerWaalsContact C-N 3.29Å; S300-I302 PolarHBondContact O-N 2.99Å; I302-Y319 HydrophobicContact CD1-CD1 3.46Å; I302-Y319 VanDerWaalsContact CD1-CD1 3.46Å; I302-Y319 HydrophobicContact CD1-CE1 4.24Å; I302-Y319 HydrophobicContact CD1-CG 4.08Å; I302-V323 HydrophobicContact CD1-CG1 3.68Å
303	K	85.1	Confident	78.4	Confident	181 Å²	181	82.4 Å²	82.4	79%	0.787	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-77	147.8	174.1	-58.3	-173.2	-179.5	-173.4	0	111.2	Q301 V305	Q301-K303 PolarHBondContact O-N 3.1Å; K303-V305 PolarHBondContact O-N 3.17Å
304	T	84.7	Confident	76.8	Confident	77 Å²	77	83.6 Å²	83.6	47%	0.472	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-59.7	122.7	175.5	-56.2	0	0	0	0	111	R316 F317 R318	T304-R316 HydrophobicContact CG2-CB 4.02Å; T304-F317 CarbonylContact C-O 3.59Å; T304-F317 WeakPolarHBondContact CG2-O 3.5Å; T304-R318 HydrophobicContact CG2-CB 4.33Å
305	V	83.6	Confident	75.9	Confident	42 Å²	42	83.1 Å²	83.1	26%	0.255	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	137.1	178.9	-167.9	0	0	0	0	109.9	W284 V288 K303 R316 F317	W284-V305 HydrophobicContact CZ2-CB 4.25Å; W284-V305 HydrophobicContact CZ2-CG1 3.94Å; V288-V305 HydrophobicContact CG1-CB 4.1Å; V288-V305 HydrophobicContact CG1-CG2 3.67Å; V288-V305 HydrophobicContact CG2-CB 4.45Å; V288-V305 HydrophobicContact CG2-CG1 4.21Å; K303-V305 PolarHBondContact O-N 3.17Å; V305-R316 CarbonylContact O-C 3.58Å; V305-R316 WeakPolarHBondContact O-CA 3.46Å; V305-F317 PolarHBondContact N-O 2.83Å; V305-F317 PolarHBondContact O-N 2.71Å
306	S	81.1	Confident	75.4	Confident	33 Å²	33	86.7 Å²	86.7	23%	0.231	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	133.6	174.3	-177.1	0	0	0	0	110.3	S308	S306-S308 WeakPolarHBondContact CB-O 3.44Å; S306-S308 PolarHBondContact OG-O 3.34Å
307	S	74.6	Confident	75.1	Confident	12 Å²	12	85.9 Å²	85.9	8%	0.084	44%	0.437	C	S	.	.	S	Bend	trans	-66.1	-37.4	177.6	70.3	0	0	0	0	112.5	S315	S307-S315 PolarHBondContact N-O 2.71Å; S307-S315 PolarHBondContact OG-N 2.7Å
308	S	66.4	Low	75	Confident	30 Å²	30	91.2 Å²	91.2	21%	0.21	45%	0.447	C	S	.	.			trans	-103.5	153.3	175.2	64.8	0	0	0	0	112.2	S306 I310 G314	S306-S308 WeakPolarHBondContact CB-O 3.44Å; S306-S308 PolarHBondContact OG-O 3.34Å; S308-I310 VanDerWaalsContact C-N 3.35Å; S308-I310 PolarHBondContact OG-O 3.49Å; S308-G314 WeakPolarHBondContact OG-CA 3.42Å; S308-G314 PolarHBondContact OG-N 2.8Å
309	N	57	Low	74.9	Confident	116 Å²	116	86.6 Å²	86.6	62%	0.62	43%	0.427	S	S	*	.	S	Bend	trans	-81.2	-14.9	165.5	-72.7	8.6	0	0	0	112.4	K249	K249-N309 PolarHBondContact NZ-OD1 2.97Å
310	I	51	Low	74.8	Confident	110 Å²	110	87.8 Å²	87.8	56%	0.564	44%	0.435	S	S	*	.	S	Bend	trans	-78.6	126.9	177.2	-51.9	176.3	0	0	0	109.1	S308	S308-I310 VanDerWaalsContact C-N 3.35Å; S308-I310 PolarHBondContact OG-O 3.49Å
311	F	44.8	Very low	74.9	Confident	163 Å²	163	85.1 Å²	85.1	72%	0.715	42%	0.423	S	S	*	.	S	Bend	trans	-60.2	148.6	173.5	-69.9	-97.9	0	0	0	111.2	K313	F311-K313 PolarHBondContact O-N 3.09Å
312	F	51.4	Low	75.2	Confident	192 Å²	192	83.2 Å²	83.2	84%	0.842	41%	0.412	S	S	*	.	S	Bend	trans	63.1	-19	178.6	-50.4	-76.6	0	0	0	118.7
313	K	58.4	Low	75.7	Confident	189 Å²	189	82.3 Å²	82.3	82%	0.822	41%	0.408	S	S	*	.	S	Bend	trans	-103.1	14.3	179.9	-147.8	175.1	-178.6	179	0	115.4	F311	F311-K313 PolarHBondContact O-N 3.09Å
314	G	62.4	Low	76.1	Confident	25 Å²	25	74.4 Å²	74.4	26%	0.258	38%	0.376	S	S	.	.	S	Bend	trans	-107.4	150.9	-175.4	0	0	0	0	0	115	S308	S308-G314 WeakPolarHBondContact OG-CA 3.42Å; S308-G314 PolarHBondContact OG-N 2.8Å
315	S	76.4	Confident	76.5	Confident	25 Å²	25	76.8 Å²	76.8	18%	0.175	38%	0.38	C	S	.	.			trans	-76.6	122.9	162	-71.2	0	0	0	0	109.1	K281 W284 S307	K281-S315 WeakPolarHBondContact CE-OG 3.18Å; K281-S315 PolarHBondContact NZ-OG 2.95Å; W284-S315 VanDerWaalsContact CH2-O 3.31Å; W284-S315 WeakPolarHBondContact CH2-O 3.41Å; S307-S315 PolarHBondContact N-O 2.71Å; S307-S315 PolarHBondContact OG-N 2.7Å
316	R	83.7	Confident	77	Confident	156 Å²	156	76.5 Å²	76.5	59%	0.589	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.1	143.5	173.8	-66.8	176.2	177.9	165.3	-3.4	110.1	T304 V305	T304-R316 HydrophobicContact CG2-CB 4.02Å; V305-R316 CarbonylContact O-C 3.58Å; V305-R316 WeakPolarHBondContact O-CA 3.46Å
317	F	86.5	Confident	77.6	Confident	20 Å²	20	75 Å²	75	9%	0.088	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	139.1	173.7	-178.2	-101.3	0	0	0	110.1	W284 K285 V288 E289 T304 V305	W284-F317 HydrophobicContact CH2-CB 3.7Å; W284-F317 HydrophobicContact CZ3-CB 3.69Å; K285-F317 HydrophobicContact CD-CD2 4.43Å; K285-F317 HydrophobicContact CD-CE2 4.47Å; K285-F317 HydrophobicContact CG-CD2 4.06Å; K285-F317 HydrophobicContact CG-CE2 4.37Å; K285-F317 HydrophobicContact CG-CG 4.31Å; V288-F317 HydrophobicContact CB-CD1 4.38Å; V288-F317 HydrophobicContact CG1-CD1 3.83Å; V288-F317 HydrophobicContact CG1-CE1 4.34Å; E289-F317 HydrophobicContact CG-CE1 3.48Å; E289-F317 VanDerWaalsContact CG-CE1 3.48Å; E289-F317 HydrophobicContact CG-CZ 3.54Å; T304-F317 CarbonylContact C-O 3.59Å; T304-F317 WeakPolarHBondContact CG2-O 3.5Å; V305-F317 PolarHBondContact N-O 2.83Å; V305-F317 PolarHBondContact O-N 2.71Å
318	R	87.4	Confident	78.4	Confident	158 Å²	158	78 Å²	78	60%	0.596	38%	0.38	S	S	*	.			trans	-124	131.9	173.8	-169.4	-177.6	-178.3	-178.1	-0.7	107.3	T304	T304-R318 HydrophobicContact CG2-CB 4.33Å
319	Y	89.6	Confident	79.7	Confident	20 Å²	20	81.6 Å²	81.6	8%	0.078	39%	0.393	C	S	.	.			trans	-63.2	153	173.1	-176.8	-102.3	0	0	0	111.1	F96 E289 A292 F293 I302 G321 K322	F96-Y319 HydrophobicContact CZ-CE2 4.08Å; E289-Y319 HydrophobicContact CB-CD2 4.29Å; E289-Y319 HydrophobicContact CB-CE2 4.44Å; E289-Y319 HydrophobicContact CG-CD2 4.25Å; A292-Y319 HydrophobicContact CB-CD1 4.2Å; A292-Y319 HydrophobicContact CB-CD2 3.79Å; A292-Y319 HydrophobicContact CB-CE2 4.47Å; A292-Y319 HydrophobicContact CB-CG 3.63Å; F293-Y319 WeakPolarHBondContact CD2-OH 3.34Å; I302-Y319 HydrophobicContact CD1-CD1 3.46Å; I302-Y319 VanDerWaalsContact CD1-CD1 3.46Å; I302-Y319 HydrophobicContact CD1-CE1 4.24Å; I302-Y319 HydrophobicContact CD1-CG 4.08Å; Y319-G321 WeakPolarHBondContact CE1-O 3.38Å; Y319-K322 PolarHBondContact OH-O 3.36Å
320	S	86.3	Confident	81.3	Confident	64 Å²	64	78 Å²	78	45%	0.448	38%	0.379	S	S	.	.			trans	-147.6	122.6	178.6	-174.3	0	0	0	0	108.7	N74	N74-S320 WeakPolarHBondContact ND2-CB 3.47Å; N74-S320 PolarHBondContact ND2-OG 3.05Å
321	G	89.8	Confident	83.2	Confident	38 Å²	38	72.9 Å²	72.9	39%	0.392	35%	0.354	S	S	.	.	S	Bend	trans	134.9	175.6	-170	0	0	0	0	0	110.9	S299 Y319	S299-G321 WeakPolarHBondContact CB-O 3.2Å; Y319-G321 WeakPolarHBondContact CE1-O 3.38Å
322	K	93.4	Very high	85.3	Confident	78 Å²	78	69.2 Å²	69.2	34%	0.339	35%	0.348	S	S	.	.			trans	-79.1	153.4	169.9	-59	-170.3	-159.1	102.9	0	110.7	D55 F293 Y319 E326 V327	D55-K322 WeakPolarHBondContact OD1-CB 3.45Å; D55-K322 WeakPolarHBondContact OD1-CG 3.28Å; D55-K322 PolarHBondContact OD1-N 3.15Å; D55-K322 IonicContact OD2-NZ 3.95Å; D55-K322 PolarHBondContact OD2-NZ 2.84Å; F293-K322 VanDerWaalsContact CD2-O 3.32Å; F293-K322 WeakPolarHBondContact CD2-O 3.38Å; Y319-K322 PolarHBondContact OH-O 3.36Å; K322-E326 WeakPolarHBondContact CA-OE2 3.22Å; K322-E326 HydrophobicContact CB-CB 3.97Å; K322-E326 HydrophobicContact CD-CB 4.4Å; K322-V327 HydrophobicContact CB-CG2 3.7Å; K322-V327 HydrophobicContact CD-CG2 4.49Å
323	V	95.5	Very high	87.2	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	34%	0.335	C	S	.	.			trans	-83.3	159.9	168.3	-58.9	0	0	0	0	111.2	A292 C296 I302 K325 E326 V327	A292-V323 WeakPolarHBondContact O-CG1 3.14Å; C296-V323 HydrophobicContact CB-CG1 3.95Å; I302-V323 HydrophobicContact CD1-CG1 3.68Å; V323-K325 HydrophobicContact CG2-CB 4.5Å; V323-K325 PolarHBondContact O-N 3.33Å; V323-E326 HydrophobicContact CG2-CB 4.2Å; V323-E326 HydrophobicContact CG2-CG 3.76Å; V323-E326 PolarHBondContact N-OE2 3.05Å; V323-E326 WeakPolarHBondContact O-CA 3.45Å; V323-E326 WeakPolarHBondContact O-CB 3.22Å; V323-E326 PolarHBondContact O-N 2.91Å; V323-V327 WeakPolarHBondContact O-CG2 3.48Å; V323-V327 PolarHBondContact O-N 3.19Å
324	A	93.8	Very high	88.7	Confident	15 Å²	15	58.4 Å²	58.4	12%	0.124	30%	0.302	C	S	.	.	H	α-helix	trans	-51.2	-35.2	-175.3	0	0	0	0	0	113.8	F293 Y294 V327 I328	F293-A324 HydrophobicContact CD1-CB 3.91Å; F293-A324 HydrophobicContact CE1-CB 3.62Å; F293-A324 HydrophobicContact CE2-CB 4.4Å; F293-A324 HydrophobicContact CG-CB 4.41Å; F293-A324 HydrophobicContact CZ-CB 3.9Å; F293-A324 VanDerWaalsContact O-CB 3.25Å; F293-A324 WeakPolarHBondContact O-CB 2.97Å; F293-A324 PolarHBondContact O-N 2.95Å; Y294-A324 HydrophobicContact CD1-CB 4.32Å; A324-V327 PolarHBondContact O-N 2.83Å; A324-I328 WeakPolarHBondContact O-CD1 3.45Å; A324-I328 VanDerWaalsContact O-CG1 3.28Å; A324-I328 WeakPolarHBondContact O-CG1 3.49Å; A324-I328 PolarHBondContact O-N 3.47Å
325	K	92.8	Very high	89.9	Confident	126 Å²	126	66.5 Å²	66.5	55%	0.548	33%	0.333	S	S	.	.	H	α-helix	trans	-67.4	-44	175.6	-58.9	-164.8	-174.1	-173.8	0	112.6	V323 V327 I328 E329	V323-K325 HydrophobicContact CG2-CB 4.5Å; V323-K325 PolarHBondContact O-N 3.33Å; K325-V327 VanDerWaalsContact C-N 3.31Å; K325-I328 PolarHBondContact O-N 3.37Å; K325-E329 WeakPolarHBondContact O-CB 3.42Å; K325-E329 PolarHBondContact O-N 3.37Å
326	E	94.4	Very high	90.4	Very high	36 Å²	36	68.9 Å²	68.9	17%	0.168	34%	0.338	C	S	.	.	H	α-helix	trans	-67.6	-31.5	175.9	-67.6	170.5	161.7	0	0	111.8	K298 S299 K322 V323 A330	K298-E326 WeakPolarHBondContact CA-OE1 3.43Å; K298-E326 WeakPolarHBondContact CB-OE1 3.43Å; S299-E326 WeakPolarHBondContact CB-OE2 3.39Å; S299-E326 VanDerWaalsContact N-CD 3.3Å; S299-E326 PolarHBondContact N-OE1 3.08Å; S299-E326 PolarHBondContact N-OE2 3.3Å; S299-E326 VanDerWaalsContact OG-CD 3.31Å; S299-E326 PolarHBondContact OG-OE1 3.03Å; S299-E326 VanDerWaalsContact OG-OE1 3.1Å; S299-E326 PolarHBondContact OG-OE2 3.41Å; K322-E326 WeakPolarHBondContact CA-OE2 3.22Å; K322-E326 HydrophobicContact CB-CB 3.97Å; K322-E326 HydrophobicContact CD-CB 4.4Å; V323-E326 HydrophobicContact CG2-CB 4.2Å; V323-E326 HydrophobicContact CG2-CG 3.76Å; V323-E326 PolarHBondContact N-OE2 3.05Å; V323-E326 WeakPolarHBondContact O-CA 3.45Å; V323-E326 WeakPolarHBondContact O-CB 3.22Å; V323-E326 PolarHBondContact O-N 2.91Å; E326-A330 VanDerWaalsContact O-CB 3.29Å; E326-A330 WeakPolarHBondContact O-CB 3.43Å; E326-A330 PolarHBondContact O-N 3.38Å
327	V	93.9	Very high	90.1	Very high	3 Å²	3	68.3 Å²	68.3	2%	0.018	35%	0.347	C	S	.	.	H	α-helix	trans	-67	-47	172.8	-179.6	0	0	0	0	110.9	D55 Y56 F293 K322 V323 A324 K325 E329 A330 S331	D55-V327 HydrophobicContact CB-CG1 4.23Å; D55-V327 HydrophobicContact CB-CG2 3.42Å; D55-V327 VanDerWaalsContact CB-CG2 3.42Å; Y56-V327 HydrophobicContact CD2-CG1 4.2Å; Y56-V327 HydrophobicContact CE1-CG1 4.21Å; Y56-V327 HydrophobicContact CE2-CG1 3.6Å; F293-V327 HydrophobicContact CE2-CG2 3.88Å; F293-V327 HydrophobicContact CZ-CG2 4.26Å; K322-V327 HydrophobicContact CB-CG2 3.7Å; K322-V327 HydrophobicContact CD-CG2 4.49Å; V323-V327 WeakPolarHBondContact O-CG2 3.48Å; V323-V327 PolarHBondContact O-N 3.19Å; A324-V327 PolarHBondContact O-N 2.83Å; K325-V327 VanDerWaalsContact C-N 3.31Å; V327-E329 VanDerWaalsContact C-N 3.35Å; V327-E329 PolarHBondContact O-N 2.93Å; V327-A330 PolarHBondContact O-N 3.41Å; V327-S331 VanDerWaalsContact O-CB 3.3Å; V327-S331 WeakPolarHBondContact O-CB 3.45Å; V327-S331 PolarHBondContact O-N 3.33Å
328	I	92.1	Very high	89.2	Confident	75 Å²	75	71.1 Å²	71.1	39%	0.385	37%	0.367	S	S	.	.	H	α-helix	trans	-64.6	-39.5	176.5	-67	164.8	0	0	0	111	A324 K325 A330 S331 S332	A324-I328 WeakPolarHBondContact O-CD1 3.45Å; A324-I328 VanDerWaalsContact O-CG1 3.28Å; A324-I328 WeakPolarHBondContact O-CG1 3.49Å; A324-I328 PolarHBondContact O-N 3.47Å; K325-I328 PolarHBondContact O-N 3.37Å; I328-A330 VanDerWaalsContact C-N 3.33Å; I328-A330 PolarHBondContact O-N 3.15Å; I328-S331 PolarHBondContact O-N 3.23Å; I328-S332 PolarHBondContact O-N 2.98Å; I328-S332 PolarHBondContact O-OG 3.43Å
329	E	92.4	Very high	88.6	Confident	104 Å²	104	65 Å²	65	49%	0.486	35%	0.348	S	S	.	.	H	α-helix	trans	-70.1	-25.6	176.5	-157.6	-155.3	128.7	0	0	113.2	K325 V327 S332 K333	K325-E329 WeakPolarHBondContact O-CB 3.42Å; K325-E329 PolarHBondContact O-N 3.37Å; V327-E329 VanDerWaalsContact C-N 3.35Å; V327-E329 PolarHBondContact O-N 2.93Å; E329-S332 PolarHBondContact O-OG 2.89Å; E329-K333 VanDerWaalsContact O-CD 3.23Å; E329-K333 WeakPolarHBondContact O-CD 3.08Å; E329-K333 WeakPolarHBondContact O-CE 3.33Å; E329-K333 WeakPolarHBondContact O-CG 3.49Å; E329-K333 IonicContact OE1-NZ 3.18Å; E329-K333 PolarHBondContact OE1-NZ 3.46Å
330	A	91.7	Very high	87.4	Confident	40 Å²	40	71.3 Å²	71.3	33%	0.331	38%	0.378	S	S	.	.	H	α-helix	trans	-78.6	-42	170	0	0	0	0	0	111.5	E326 V327 I328 S332 K333	E326-A330 VanDerWaalsContact O-CB 3.29Å; E326-A330 WeakPolarHBondContact O-CB 3.43Å; E326-A330 PolarHBondContact O-N 3.38Å; V327-A330 PolarHBondContact O-N 3.41Å; I328-A330 VanDerWaalsContact C-N 3.33Å; I328-A330 PolarHBondContact O-N 3.15Å; A330-S332 PolarHBondContact O-N 2.9Å; A330-K333 PolarHBondContact O-N 2.85Å; A330-K333 VanDerWaalsContact O-N 3.14Å
331	S	90.8	Very high	86.7	Confident	4 Å²	4	69 Å²	69	3%	0.028	36%	0.361	C	S	.	.	H	α-helix	trans	-59.8	-43.3	178	178.9	0	0	0	0	112.3	E53 K105 V327 I328 K333 I334	E53-S331 VanDerWaalsContact OE1-CB 3.28Å; E53-S331 WeakPolarHBondContact OE1-CB 3.39Å; E53-S331 PolarHBondContact OE1-OG 2.9Å; K105-S331 WeakPolarHBondContact CB-OG 3.47Å; K105-S331 PolarHBondContact N-OG 2.93Å; V327-S331 VanDerWaalsContact O-CB 3.3Å; V327-S331 WeakPolarHBondContact O-CB 3.45Å; V327-S331 PolarHBondContact O-N 3.33Å; I328-S331 PolarHBondContact O-N 3.23Å; S331-K333 PolarHBondContact O-N 3.03Å; S331-K333 VanDerWaalsContact O-N 3.13Å; S331-I334 WeakPolarHBondContact O-CB 3.27Å; S331-I334 WeakPolarHBondContact O-CG1 3.45Å; S331-I334 PolarHBondContact O-N 2.82Å; S331-I334 VanDerWaalsContact O-N 3.1Å
332	S	89.1	Confident	85.1	Confident	86 Å²	86	74.4 Å²	74.4	60%	0.601	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-13.9	177.3	65.4	0	0	0	0	114.5	I328 E329 A330	I328-S332 PolarHBondContact O-N 2.98Å; I328-S332 PolarHBondContact O-OG 3.43Å; E329-S332 PolarHBondContact O-OG 2.89Å; A330-S332 PolarHBondContact O-N 2.9Å
333	K	91	Very high	83.3	Confident	128 Å²	128	72.5 Å²	72.5	56%	0.557	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	0.7	176.6	-62.9	170.5	-168.2	168.2	0	113.2	E329 A330 S331 Q335	E329-K333 VanDerWaalsContact O-CD 3.23Å; E329-K333 WeakPolarHBondContact O-CD 3.08Å; E329-K333 WeakPolarHBondContact O-CE 3.33Å; E329-K333 WeakPolarHBondContact O-CG 3.49Å; E329-K333 IonicContact OE1-NZ 3.18Å; E329-K333 PolarHBondContact OE1-NZ 3.46Å; A330-K333 PolarHBondContact O-N 2.85Å; A330-K333 VanDerWaalsContact O-N 3.14Å; S331-K333 PolarHBondContact O-N 3.03Å; S331-K333 VanDerWaalsContact O-N 3.13Å; K333-Q335 PolarHBondContact O-N 3.13Å; K333-Q335 VanDerWaalsContact O-N 3.16Å
334	I	90.5	Very high	81.7	Confident	26 Å²	26	75.8 Å²	75.8	13%	0.133	39%	0.385	C	S	.	.			trans	-68.2	112.4	177.3	-64.5	173.3	0	0	0	109.5	L52 E53 K105 E106 S331 R336	L52-I334 HydrophobicContact CB-CD1 4.02Å; L52-I334 HydrophobicContact CD1-CD1 4.16Å; L52-I334 HydrophobicContact CD1-CG1 4.15Å; L52-I334 HydrophobicContact CD1-CG2 3.83Å; E53-I334 HydrophobicContact CG-CD1 3.91Å; K105-I334 HydrophobicContact CG-CB 4.28Å; E106-I334 HydrophobicContact CG-CD1 3.76Å; S331-I334 WeakPolarHBondContact O-CB 3.27Å; S331-I334 WeakPolarHBondContact O-CG1 3.45Å; S331-I334 PolarHBondContact O-N 2.82Å; S331-I334 VanDerWaalsContact O-N 3.1Å; I334-R336 HydrophobicContact CG2-CG 3.86Å
335	Q	86.1	Confident	79.3	Confident	194 Å²	194	79.7 Å²	79.7	91%	0.907	42%	0.417	S	S	*	.			trans	-113.6	78	174.2	-65.1	-178.2	9	0	0	109.2	K333	K333-Q335 PolarHBondContact O-N 3.13Å; K333-Q335 VanDerWaalsContact O-N 3.16Å
336	R	87.9	Confident	77	Confident	76 Å²	76	81.6 Å²	81.6	29%	0.287	43%	0.428	S	S	.	.	S	Bend	trans	-148.5	159.2	165.4	66.4	166.4	-178.2	178.3	4.6	109.4	N50 L52 E106 I334	N50-R336 VanDerWaalsContact CG-NH1 3.32Å; N50-R336 PolarHBondContact ND2-NH1 3.08Å; N50-R336 PolarHBondContact O-NH1 2.85Å; N50-R336 PolarHBondContact O-NH2 2.92Å; N50-R336 PolarHBondContact OD1-NH1 2.88Å; L52-R336 HydrophobicContact CD1-CG 4.43Å; E106-R336 IonicContact OE1-CZ 3.57Å; E106-R336 IonicContact OE1-NE 2.75Å; E106-R336 PolarHBondContact OE1-NE 2.99Å; E106-R336 IonicContact OE1-NH2 3.6Å; E106-R336 PolarHBondContact OE1-NH2 2.95Å; E106-R336 IonicContact OE2-NH2 2.73Å; E106-R336 PolarHBondContact OE2-NH2 2.79Å; I334-R336 HydrophobicContact CG2-CG 3.86Å
337	D	77.6	Confident	74.7	Confident	144 Å²	144	84 Å²	84	77%	0.77	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-64.9	145.9	165.5	-57.3	-62.8	0	0	0	110.2
338	P	68.1	Low	72.1	Confident	78 Å²	78	87.2 Å²	87.2	51%	0.506	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-60	132.2	178.2	-21.9	33.3	0	0	0	110.9	E107 E340	E107-P338 HydrophobicContact CB-CB 4.27Å; P338-E340 PolarHBondContact O-N 2.7Å
339	P	73.3	Confident	69.6	Low	30 Å²	30	90.1 Å²	90.1	20%	0.195	48%	0.483	C	S	.	.	P	Polyproline II helix	trans	-65.9	132.4	173.3	28.6	-34.6	0	0	0	109.8	L108 V341	L108-P339 HydrophobicContact CB-CG 4.08Å; L108-P339 HydrophobicContact CD2-CG 4.05Å; P339-V341 PolarHBondContact O-N 3.44Å
340	E	65.8	Low	66.9	Low	153 Å²	153	86.7 Å²	86.7	72%	0.715	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-60.5	131.7	-179.9	-71.8	-173	173.1	0	0	111.9	P338 H342	P338-E340 PolarHBondContact O-N 2.7Å; E340-H342 PolarHBondContact O-N 3.18Å; E340-H342 PolarHBondContact O-ND1 3.43Å; E340-H342 IonicContact OE2-CE1 3.48Å
341	V	70.8	Confident	64.5	Low	14 Å²	14	94.9 Å²	94.9	9%	0.085	49%	0.493	C	S	.	.			trans	-82.2	70.8	178.5	-169.5	0	0	0	0	109.9	E107 Y111 P339 S343 R344	E107-V341 HydrophobicContact CG-CG2 4.48Å; Y111-V341 HydrophobicContact CD1-CG1 3.39Å; Y111-V341 HydrophobicContact CD2-CG1 3.9Å; Y111-V341 HydrophobicContact CE1-CG1 3.49Å; Y111-V341 VanDerWaalsContact CE1-CG1 3.49Å; Y111-V341 HydrophobicContact CE2-CG1 4Å; Y111-V341 HydrophobicContact CG-CG1 3.59Å; P339-V341 PolarHBondContact O-N 3.44Å; V341-S343 PolarHBondContact O-N 2.92Å; V341-R344 HydrophobicContact CB-CG 4.28Å; V341-R344 HydrophobicContact CG1-CG 3.98Å; V341-R344 PolarHBondContact O-N 3.39Å
342	H	56.4	Low	61.7	Low	152 Å²	152	97 Å²	97	70%	0.704	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-54.1	-25.9	-177.4	-69.6	71.8	0	0	0	113.8	E340 R344	E340-H342 PolarHBondContact O-N 3.18Å; E340-H342 PolarHBondContact O-ND1 3.43Å; E340-H342 IonicContact OE2-CE1 3.48Å; H342-R344 VanDerWaalsContact C-N 3.32Å; H342-R344 PolarHBondContact O-N 3.32Å
343	S	55.3	Low	59.6	Low	39 Å²	39	96.6 Å²	96.6	27%	0.273	49%	0.494	S	S	.	.	G	3₁₀ helix	trans	-78.6	-5	-176.6	51.4	0	0	0	0	115.2	V341 A345 Q346	V341-S343 PolarHBondContact O-N 2.92Å; S343-A345 PolarHBondContact O-N 3.44Å; S343-A345 VanDerWaalsContact O-N 3.16Å; S343-Q346 PolarHBondContact O-N 3.36Å; S343-Q346 VanDerWaalsContact O-N 3.16Å
344	R	62.3	Low	56.9	Low	68 Å²	68	97.6 Å²	97.6	26%	0.257	51%	0.505	S	S	.	.	G	3₁₀ helix	trans	-53.5	-35.4	177.9	-80.3	-179.2	172	128.4	5.8	113.5	E107 Y111 E193 V341 H342	E107-R344 IonicContact OE1-CZ 2.8Å; E107-R344 VanDerWaalsContact OE1-CZ 3.25Å; E107-R344 IonicContact OE1-NH1 3.46Å; E107-R344 PolarHBondContact OE1-NH1 3.31Å; E107-R344 IonicContact OE1-NH2 3.36Å; E107-R344 PolarHBondContact OE1-NH2 3.41Å; Y111-R344 HydrophobicContact CE2-CG 4.06Å; E193-R344 VanDerWaalsContact CD-NH2 3.34Å; E193-R344 IonicContact OE1-CZ 3.46Å; E193-R344 IonicContact OE1-NE 3.81Å; E193-R344 PolarHBondContact OE1-NE 2.89Å; E193-R344 IonicContact OE1-NH2 3.7Å; E193-R344 PolarHBondContact OE1-NH2 2.83Å; E193-R344 IonicContact OE2-CZ 2.81Å; E193-R344 IonicContact OE2-NE 2.74Å; E193-R344 IonicContact OE2-NH2 2.72Å; E193-R344 PolarHBondContact OE2-NH2 2.93Å; V341-R344 HydrophobicContact CB-CG 4.28Å; V341-R344 HydrophobicContact CG1-CG 3.98Å; V341-R344 PolarHBondContact O-N 3.39Å; H342-R344 VanDerWaalsContact C-N 3.32Å; H342-R344 PolarHBondContact O-N 3.32Å
345	A	42.8	Very low	54.2	Low	98 Å²	98	100.2 Å²	100.2	81%	0.81	53%	0.526	S	S	*	.	G	3₁₀ helix	trans	-87.9	4.5	-176.3	0	0	0	0	0	115.2	S343	S343-A345 PolarHBondContact O-N 3.44Å; S343-A345 VanDerWaalsContact O-N 3.16Å
346	Q	44.8	Very low	51.8	Low	165 Å²	165	94.2 Å²	94.2	77%	0.771	50%	0.5	S	S	*	.			trans	-111.6	48.4	-173.3	-67	-165.3	-5.4	0	0	114.2	S343 G348	S343-Q346 PolarHBondContact O-N 3.36Å; S343-Q346 VanDerWaalsContact O-N 3.16Å; Q346-G348 PolarHBondContact O-N 2.73Å
347	F	47.1	Very low	49.2	Very low	88 Å²	88	93.4 Å²	93.4	39%	0.386	51%	0.506	S	S	.	.			trans	-76.3	54.7	164.9	-152.9	-100.4	0	0	0	112.2	E145 Q349 Y353	E145-F347 WeakPolarHBondContact OE1-CD2 3.27Å; E145-F347 WeakPolarHBondContact OE1-CG 3.32Å; E145-F347 WeakPolarHBondContact OE2-CD1 3.29Å; E145-F347 WeakPolarHBondContact OE2-CE1 3.49Å; E145-F347 VanDerWaalsContact OE2-CG 3.27Å; E145-F347 WeakPolarHBondContact OE2-CG 3.11Å; F347-Q349 VanDerWaalsContact C-N 3.3Å; F347-Q349 PolarHBondContact O-N 2.81Å; F347-Y353 VanDerWaalsContact CZ-OH 3.31Å; F347-Y353 WeakPolarHBondContact CZ-OH 3.49Å
348	G	39.2	Very low	47.3	Very low	69 Å²	69	92.7 Å²	92.7	71%	0.711	50%	0.497	S	S	*	.			trans	-70.7	75.6	-177.1	0	0	0	0	0	113.1	Q346 S350	Q346-G348 PolarHBondContact O-N 2.73Å; G348-S350 PolarHBondContact O-N 2.67Å
349	Q	39.3	Very low	45.8	Very low	137 Å²	137	98.4 Å²	98.4	64%	0.64	51%	0.514	S	S	*	.			trans	40.4	56.2	170.5	-58.1	-167.9	22.5	0	0	114.8	F347 R351	F347-Q349 VanDerWaalsContact C-N 3.3Å; F347-Q349 PolarHBondContact O-N 2.81Å; Q349-R351 PolarHBondContact O-N 3.07Å; Q349-R351 VanDerWaalsContact OE1-CZ 3.3Å
350	S	35.6	Very low	44.2	Very low	32 Å²	32	101.1 Å²	101.1	22%	0.224	53%	0.527	C	S	.	.			trans	-72.5	70.8	177.7	-162.2	0	0	0	0	112.1	G348 S352 Y353	G348-S350 PolarHBondContact O-N 2.67Å; S350-S352 PolarHBondContact O-N 3.16Å; S350-S352 PolarHBondContact OG-OG 3.16Å; S350-S352 VanDerWaalsContact OG-OG 3.1Å; S350-Y353 VanDerWaalsContact O-CD2 3.31Å; S350-Y353 WeakPolarHBondContact O-CD2 3.36Å; S350-Y353 VanDerWaalsContact O-CE2 3.27Å; S350-Y353 WeakPolarHBondContact O-CE2 3.44Å
351	R	40.2	Very low	43.4	Very low	212 Å²	212	95.3 Å²	95.3	80%	0.8	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	1.5	172.3	-63.2	174.9	-178.4	-165.2	-1.1	112.3	Q349 Y353	Q349-R351 PolarHBondContact O-N 3.07Å; Q349-R351 VanDerWaalsContact OE1-CZ 3.3Å; R351-Y353 PolarHBondContact O-N 3.05Å
352	S	33.5	Very low	42.6	Very low	48 Å²	48	95.9 Å²	95.9	34%	0.336	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	16.6	178.9	80.3	0	0	0	0	114.7	R21 S350 N354	R21-S352 PolarHBondContact NH2-OG 3.21Å; S350-S352 PolarHBondContact O-N 3.16Å; S350-S352 PolarHBondContact OG-OG 3.16Å; S350-S352 VanDerWaalsContact OG-OG 3.1Å; S352-N354 PolarHBondContact O-N 3.47Å
353	Y	43.5	Very low	42.1	Very low	78 Å²	78	88.7 Å²	88.7	31%	0.306	47%	0.47	S	S	.	.			trans	-65.4	76.5	162.9	-58.3	-59.2	0	0	0	110.6	Y122 F347 S350 R351 S355	Y122-Y353 HydrophobicContact CD1-CD1 4.08Å; Y122-Y353 AromaticContact CE1-CD1 3.69Å; Y122-Y353 HydrophobicContact CE1-CD1 3.69Å; Y122-Y353 HydrophobicContact CE1-CE1 4.5Å; Y122-Y353 AromaticContact CE1-CG 3.94Å; Y122-Y353 HydrophobicContact CE1-CG 3.94Å; Y122-Y353 AromaticContact CZ-CG 3.85Å; Y122-Y353 WeakPolarHBondContact OH-CB 3.43Å; F347-Y353 VanDerWaalsContact CZ-OH 3.31Å; F347-Y353 WeakPolarHBondContact CZ-OH 3.49Å; S350-Y353 VanDerWaalsContact O-CD2 3.31Å; S350-Y353 WeakPolarHBondContact O-CD2 3.36Å; S350-Y353 VanDerWaalsContact O-CE2 3.27Å; S350-Y353 WeakPolarHBondContact O-CE2 3.44Å; R351-Y353 PolarHBondContact O-N 3.05Å; Y353-S355 PolarHBondContact O-N 3.28Å
354	N	35.2	Very low	41.4	Very low	149 Å²	149	91.3 Å²	91.3	80%	0.797	48%	0.481	S	S	*	.			trans	-61.1	93.3	163.4	-91.6	-36.3	0	0	0	107.6	S352 L356	S352-N354 PolarHBondContact O-N 3.47Å; N354-L356 PolarHBondContact O-N 2.69Å
355	S	33.8	Very low	40.2	Very low	81 Å²	81	91.4 Å²	91.4	57%	0.566	49%	0.485	S	S	*	.			trans	-55.4	113.8	177.6	-177.9	0	0	0	0	108.2	Y353 S357	Y353-S355 PolarHBondContact O-N 3.28Å; S355-S357 VanDerWaalsContact C-N 3.26Å; S355-S357 PolarHBondContact O-N 2.87Å
356	L	36.4	Very low	39.7	Very low	68 Å²	68	93.6 Å²	93.6	36%	0.356	48%	0.479	S	S	.	.			trans	-55.5	103.1	154.9	-71.7	177.1	0	0	0	105.1	N354 N360	N354-L356 PolarHBondContact O-N 2.69Å; L356-N360 HydrophobicContact CB-CB 3.87Å; L356-N360 HydrophobicContact CD2-CB 4.3Å
357	S	33.3	Very low	38.9	Very low	59 Å²	59	90 Å²	90	41%	0.413	47%	0.469	S	S	.	.			trans	-54.7	160.9	-171.1	68.6	0	0	0	0	110.5	S355 K359 N360	S355-S357 VanDerWaalsContact C-N 3.26Å; S355-S357 PolarHBondContact O-N 2.87Å; S357-K359 CarbonylContact O-C 3.57Å; S357-K359 PolarHBondContact O-N 3.43Å; S357-N360 WeakPolarHBondContact O-CA 3.43Å; S357-N360 WeakPolarHBondContact O-CB 3.45Å; S357-N360 PolarHBondContact O-N 3.11Å; S357-N360 PolarHBondContact OG-ND2 2.86Å
358	H	37.4	Very low	38	Very low	128 Å²	128	94.1 Å²	94.1	59%	0.593	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-50.5	-19.9	-172.4	-101.9	65.5	0	0	0	115.6	N360	H358-N360 VanDerWaalsContact C-N 3.32Å
359	K	36.5	Very low	37.6	Very low	199 Å²	199	96.6 Å²	96.6	87%	0.865	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-80	0.8	172.1	-58.3	-175.4	178.3	-176.6	0	115.3	S357	S357-K359 CarbonylContact O-C 3.57Å; S357-K359 PolarHBondContact O-N 3.43Å
360	N	38.7	Very low	37.1	Very low	87 Å²	87	95.3 Å²	95.3	47%	0.465	50%	0.499	S	S	.	.	G	3₁₀ helix	trans	-131.1	10.6	-172.1	-63.8	-82	0	0	0	113.1	L356 S357 H358 I362	L356-N360 HydrophobicContact CB-CB 3.87Å; L356-N360 HydrophobicContact CD2-CB 4.3Å; S357-N360 WeakPolarHBondContact O-CA 3.43Å; S357-N360 WeakPolarHBondContact O-CB 3.45Å; S357-N360 PolarHBondContact O-N 3.11Å; S357-N360 PolarHBondContact OG-ND2 2.86Å; H358-N360 VanDerWaalsContact C-N 3.32Å; N360-I362 PolarHBondContact O-N 2.94Å
361	L	48.7	Very low	36.7	Very low	31 Å²	31	98.3 Å²	98.3	16%	0.162	53%	0.526	C	S	.	.			trans	-60.1	133.1	165.9	-69.3	171.5	0	0	0	108.4	P166 M363 M365	P166-L361 HydrophobicContact CB-CD2 4.29Å; L361-M363 PolarHBondContact O-N 3.36Å; L361-M365 HydrophobicContact CD1-CB 4.36Å
362	I	54.4	Low	36.2	Very low	26 Å²	26	95.9 Å²	95.9	13%	0.133	53%	0.528	C	S	.	.	S	Bend	trans	-77.3	-10.3	-167.9	-15.3	169.7	0	0	0	113.1	R125 P210 F222 N360	R125-I362 HydrophobicContact CB-CD1 4.17Å; P210-I362 HydrophobicContact CG-CB 3.84Å; P210-I362 HydrophobicContact CG-CG2 3.67Å; F222-I362 WeakPolarHBondContact CD1-O 3.36Å; F222-I362 VanDerWaalsContact CE1-O 3.22Å; F222-I362 WeakPolarHBondContact CE1-O 3.17Å; N360-I362 PolarHBondContact O-N 2.94Å
363	M	47	Very low	36	Very low	1 Å²	1	99.2 Å²	99.2	1%	0.005	55%	0.549	C	S	.	.	S	Bend	trans	-135.7	142.6	162.3	-71.8	178	-76	0	0	107.8	R125 L127 T205 P210 F222 L361 M365	R125-M363 WeakPolarHBondContact O-CE 3.37Å; L127-M363 HydrophobicContact CD1-CE 4.09Å; L127-M363 HydrophobicContact CD1-SD 4.11Å; L127-M363 HydrophobicContact CD2-CE 3.81Å; L127-M363 HydrophobicContact CG-CE 3.8Å; L127-M363 HydrophobicContact CG-SD 4.48Å; T205-M363 HydrophobicContact CG2-CE 3.95Å; T205-M363 HydrophobicContact CG2-SD 4.18Å; P210-M363 HydrophobicContact CB-CG 4.33Å; P210-M363 HydrophobicContact CG-CG 4.28Å; F222-M363 HydrophobicContact CD2-CG 4.49Å; F222-M363 HydrophobicContact CG-CG 4.42Å; L361-M363 PolarHBondContact O-N 3.36Å; M363-M365 PolarHBondContact O-N 3.13Å
364	N	39.2	Very low	35.1	Very low	94 Å²	94	101 Å²	101	50%	0.503	57%	0.573	S	S	.	*			trans	-71	99.4	-177.2	-80.7	18.2	0	0	0	111	N236 E366	N236-N364 PolarHBondContact ND2-O 3.26Å; N236-N364 PolarHBondContact OD1-O 3.11Å; N364-E366 PolarHBondContact O-N 3.13Å
365	M	37.7	Very low	34.7	Very low	69 Å²	69	100.2 Å²	100.2	34%	0.34	57%	0.573	S	S	.	*			trans	-74.6	53.3	166.6	-94.7	-69.3	161.2	0	0	112.2	L127 K167 L361 M363	L127-M365 HydrophobicContact CB-CE 4.45Å; L127-M365 HydrophobicContact CD1-CE 4.28Å; L127-M365 HydrophobicContact CD2-CE 3.7Å; L127-M365 HydrophobicContact CG-CE 4.35Å; K167-M365 PolarHBondContact NZ-O 2.96Å; L361-M365 HydrophobicContact CD1-CB 4.36Å; M363-M365 PolarHBondContact O-N 3.13Å
366	E	31.9	Very low	34.5	Very low	145 Å²	145	103.1 Å²	103.1	68%	0.678	58%	0.582	S	S	*	*			trans	-72.6	132.9	167.8	-162.7	141.2	-134.7	0	0	108.8	N364	N364-E366 PolarHBondContact O-N 3.13Å
367	P	28.7	Very low	34.1	Very low	89 Å²	89	107.6 Å²	107.6	58%	0.578	60%	0.602	S	S	*	*			trans	-67.1	146.2	-174.8	-17.8	31.4	0	0	0	111.9	V369	P367-V369 PolarHBondContact O-N 2.88Å
368	L	28.5	Very low	33.9	Very low	174 Å²	174	115.5 Å²	115.5	91%	0.911	62%	0.624	S	S	*	*			trans	-63.6	106.7	147.8	-70.6	172.1	0	0	0	106.5
369	V	30.3	Very low	33.6	Very low	121 Å²	121	118.7 Å²	118.7	73%	0.733	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-60.2	128	172.4	-176	0	0	0	0	107	P367 A371	P367-V369 PolarHBondContact O-N 2.88Å; V369-A371 PolarHBondContact O-N 3.48Å
370	P	29.7	Very low	33.2	Very low	110 Å²	110	118.7 Å²	118.7	71%	0.714	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-55.7	131.5	171.7	-22.7	33.3	0	0	0	108.9	L372	P370-L372 PolarHBondContact O-N 2.94Å
371	A	27.1	Very low	32.7	Very low	96 Å²	96	119.2 Å²	119.2	79%	0.793	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-55.3	126.7	170.2	0	0	0	0	0	108	V369	V369-A371 PolarHBondContact O-N 3.48Å
372	L	29.3	Very low	31.8	Very low	160 Å²	160	122.7 Å²	122.7	84%	0.838	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-57	134.1	174.6	-71	167.6	0	0	0	108	P370 S374	P370-L372 PolarHBondContact O-N 2.94Å; L372-S374 PolarHBondContact O-N 2.88Å; L372-S374 VanDerWaalsContact O-N 3.14Å
373	P	27.9	Very low	30.6	Very low	119 Å²	119	126.5 Å²	126.5	77%	0.773	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-59.7	122.4	174	25.6	-32.7	0	0	0	108.2	T375	P373-T375 PolarHBondContact O-N 3Å
374	S	25	Very low	29.8	Very low	116 Å²	116	132.7 Å²	132.7	81%	0.811	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-62.4	124.1	175.4	48.5	0	0	0	0	109.2	L372 N376	L372-S374 PolarHBondContact O-N 2.88Å; L372-S374 VanDerWaalsContact O-N 3.14Å; S374-N376 PolarHBondContact O-N 3.2Å
375	T	27.9	Very low	29.7	Very low	131 Å²	131	134.2 Å²	134.2	80%	0.804	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-63.6	120.2	171.4	48	0	0	0	0	110.2	P373	P373-T375 PolarHBondContact O-N 3Å
376	N	28.3	Very low	29.2	Very low	142 Å²	142	133.5 Å²	133.5	76%	0.759	79%	0.786	S	S	*	*			trans	-176.7	153.6	136.7	-91	-4.4	0	0	0	108.9	S374	S374-N376 PolarHBondContact O-N 3.2Å
377	E	27.8	Very low	29	Very low	163 Å²	163	136.5 Å²	136.5	76%	0.762	79%	0.791	S	S	*	*			trans	62.4	116.5	178.4	-63.1	157.7	-133.4	0	0	113.6
378	Y	31.1	Very low	28.9	Very low	225 Å²	225	141.5 Å²	141.5	88%	0.882	80%	0.798	S	S	*	*			cis	-126.4	150.3	29.3	-69.5	-92.4	0	0	0	113.9
379	E	29.9	Very low	28.9	Very low	194 Å²	194	139.7 Å²	139.7	91%	0.907	79%	0.789	S	S	*	*			trans	-125.4	109.5	167.8	179.4	175.4	-130.7	0	0	108.6
380	E	28.5	Very low	28.6	Very low	200 Å²	200	140.3 Å²	140.3	94%	0.935	79%	0.788	S	S	*	*			trans	-149.6	146.4	158.1	-162.8	161.9	-153.6	0	0	108.8
381	A	28.6	Very low	28.4	Very low	97 Å²	97	145.1 Å²	145.1	80%	0.802	79%	0.792	S	S	*	*			trans	-121.7	149.3	-147.7	0	0	0	0	0	115.7
382	A	28.7	Very low	28.3	Very low	105 Å²	105	145.9 Å²	145.9	87%	0.868	79%	0.787	S	S	*	*			trans	-147.3	140.7	157.6	0	0	0	0	0	110.2
383	A	29	Very low	28.1	Very low	105 Å²	105	145.7 Å²	145.7	87%	0.868	78%	0.781	S	S	*	*			trans	-80.6	156.3	-162.9	0	0	0	0	0	116.5
384	D	29.9	Very low	28	Very low	131 Å²	131	147.8 Å²	147.8	70%	0.701	78%	0.78	S	S	*	*			trans	-119.1	152.4	152.1	179.3	53.4	0	0	0	108.7	G386	D384-G386 WeakPolarHBondContact OD1-CA 3.41Å; D384-G386 PolarHBondContact OD1-N 3.33Å; D384-G386 PolarHBondContact OD2-N 2.81Å
385	P	38.3	Very low	28.1	Very low	126 Å²	126	148.4 Å²	148.4	82%	0.818	78%	0.779	S	S	*	*				-144.2	106.2	114.2	31.6	-13.5	0	0	0	114.7
386	G	27.1	Very low	27.9	Very low	55 Å²	55	150 Å²	150	57%	0.567	78%	0.782	S	S	*	*			trans	-109.9	9.5	-160.1	0	0	0	0	0	120.5	D384	D384-G386 WeakPolarHBondContact OD1-CA 3.41Å; D384-G386 PolarHBondContact OD1-N 3.33Å; D384-G386 PolarHBondContact OD2-N 2.81Å
387	R	27.9	Very low	27.8	Very low	207 Å²	207	154.3 Å²	154.3	78%	0.781	79%	0.788	S	S	*	*			trans	57.3	117.5	172.2	-84.7	-173.3	170.2	-164.6	2.5	120.2
388	R	26.5	Very low	27.6	Very low	194 Å²	194	154.1 Å²	154.1	73%	0.732	79%	0.791	S	S	*	*				57.3	141.1	123.6	-59.8	-178	-172.9	177.2	1.2	122.8
389	N	27.3	Very low	27.3	Very low	136 Å²	136	151.5 Å²	151.5	73%	0.727	79%	0.787	S	S	*	*			trans	90.1	103.6	140.9	-72.5	-1.9	0	0	0	122.6
390	L	25.2	Very low	27.1	Very low	134 Å²	134	148 Å²	148	70%	0.702	78%	0.778	S	S	*	*				69.9	137.2	112.3	-118	75.9	0	0	0	123
391	R	25	Very low	26.9	Very low	211 Å²	211	145.1 Å²	145.1	80%	0.796	77%	0.769	S	S	*	*			trans	75.4	94.7	148.6	-79.3	177	-172.7	173.2	2.2	121.7
392	T	24.3	Very low	26.8	Very low	112 Å²	112	148.4 Å²	148.4	69%	0.687	77%	0.772	S	S	*	*				48.2	140	110.6	60.7	0	0	0	0	123.5
393	H	26.4	Very low	26.7	Very low	156 Å²	156	150.5 Å²	150.5	72%	0.722	76%	0.764	S	S	*	*			trans	102.7	144.8	143.7	-75.7	-64.2	0	0	0	121
394	H	26.1	Very low	26.5	Very low	163 Å²	163	153.5 Å²	153.5	76%	0.755	76%	0.759	S	S	*	*			trans	64.5	126.8	171.8	-53.4	-57.4	0	0	0	116.2
395	T	25.7	Very low	26.3	Very low	129 Å²	129	151.3 Å²	151.3	79%	0.791	76%	0.76	S	S	*	*			cis	72.8	102.8	32.2	-43.6	0	0	0	0	114.1
396	L	25.1	Very low	25.7	Very low	166 Å²	166	150.2 Å²	150.2	87%	0.869	76%	0.755	S	S	*	*			trans	-154.3	135.1	147.4	-110.3	169.1	0	0	0	110.4
397	R	25	Very low	25.8	Very low	231 Å²	231	156 Å²	156	87%	0.872	77%	0.767	S	S	*	*			trans	-79.7	150.7	156	-89.1	175.4	162.2	174.3	-7.2	107.5
398	L	23.3	Very low	25.7	Very low	159 Å²	159	150 Å²	150	83%	0.832	76%	0.757	S	S	*	*			trans	-130.1	144.9	147.2	-149.5	72.9	0	0	0	109.7	V400	L398-V400 HydrophobicContact CD2-CG2 4.23Å; L398-V400 HydrophobicContact CG-CG2 4.45Å
399	H	24.9	Very low	25.7	Very low	170 Å²	170	148.4 Å²	148.4	79%	0.787	76%	0.757	S	S	*	*			trans	-139.2	123	-178.5	-158.3	72.6	0	0	0	105.3
400	V	26.4	Very low	25.8	Very low	121 Å²	121	149.3 Å²	149.3	73%	0.733	76%	0.76	S	S	*	*			trans	-129.1	118.4	-179.7	179.5	0	0	0	0	107.9	L398	L398-V400 HydrophobicContact CD2-CG2 4.23Å; L398-V400 HydrophobicContact CG-CG2 4.45Å
401	L	25	Very low	25.9	Very low	140 Å²	140	145.8 Å²	145.8	73%	0.733	76%	0.757	S	S	*	*			trans	-102.3	145.8	168.2	-93.1	163.2	0	0	0	108.5
402	L	25.7	Very low	26.6	Very low	165 Å²	165	142 Å²	142	86%	0.864	76%	0.76	S	S	*	*			trans	-148.8	144.3	154.4	-108.5	170.7	0	0	0	110
403	Q	26	Very low	27.8	Very low	150 Å²	150	141.9 Å²	141.9	70%	0.701	76%	0.761	S	S	*	*			trans	-108.2	-176.5	179.6	-56.4	157.2	-95.5	0	0	108.2
404	H	26.1	Very low	27.9	Very low	168 Å²	168	142.1 Å²	142.1	78%	0.778	77%	0.766	S	S	*	*			cis	-164.5	149.3	1.8	-128	-46.8	0	0	0	108
405	A	25.1	Very low	27.9	Very low	85 Å²	85	141.3 Å²	141.3	70%	0.702	77%	0.767	S	S	*	*			trans	166.7	129.6	155.1	0	0	0	0	0	108.4
406	S	26.2	Very low	27.9	Very low	103 Å²	103	141.7 Å²	141.7	72%	0.72	76%	0.764	S	S	*	*				72.4	129.3	52.1	73.2	0	0	0	0	113.5
407	E	27.7	Very low	28	Very low	177 Å²	177	141.8 Å²	141.8	83%	0.827	77%	0.766	S	S	*	*			cis	-160.7	168.9	10.4	-140.8	160.3	-150.2	0	0	114.2
408	S	26.6	Very low	27.9	Very low	81 Å²	81	137 Å²	137	57%	0.566	76%	0.762	S	S	*	*			trans	8	143.1	163.4	51.3	0	0	0	0	122.8
409	H	26.8	Very low	27.9	Very low	159 Å²	159	135 Å²	135	74%	0.736	76%	0.76	S	S	*	*				-171.7	146.2	72.2	-93.6	-83	0	0	0	116.1
410	I	30.1	Very low	27.8	Very low	155 Å²	155	133.8 Å²	133.8	80%	0.795	76%	0.758	S	S	*	*			trans	57.2	134.7	140.5	-58.2	168.6	0	0	0	121.3
411	G	26.1	Very low	27.6	Very low	61 Å²	61	133.1 Å²	133.1	63%	0.629	76%	0.758	S	S	*	*			trans	-116.5	-141.6	169.3	0	0	0	0	0	113
412	P	40.5	Very low	27.5	Very low	132 Å²	132	133.7 Å²	133.7	86%	0.857	76%	0.761	S	S	*	*			cis	-130	-118.9	1.5	28.9	-1.2	0	0	0	114.3
413	P	49	Very low	27.4	Very low	109 Å²	109	131.9 Å²	131.9	71%	0.708	76%	0.756	S	S	*	*			trans	-121.4	-175	-130.1	41.4	-22.4	0	0	0	115.7
414	L	27.7	Very low	27.3	Very low	160 Å²	160	130.7 Å²	130.7	84%	0.838	76%	0.759	S	S	*	*			trans	160.8	152.7	154.6	-86.5	164.9	0	0	0	106.9
415	L	26.8	Very low	27.1	Very low	146 Å²	146	130 Å²	130	76%	0.764	76%	0.761	S	S	*	*			cis	-150.3	155.3	-2.5	-143.4	162	0	0	0	108.3
416	N	25.7	Very low	27	Very low	137 Å²	137	130.2 Å²	130.2	73%	0.733	76%	0.763	S	S	*	*			trans	-59.5	155.3	165.9	-71	-20.5	0	0	0	111.9
417	N	26.5	Very low	27.4	Very low	169 Å²	169	131.2 Å²	131.2	90%	0.904	77%	0.767	S	S	*	*			trans	-141	118.9	150.8	-111.8	-26.4	0	0	0	111.1
418	V	24.6	Very low	27.2	Very low	131 Å²	131	131.5 Å²	131.5	79%	0.794	77%	0.769	S	S	*	*			trans	-128	112.9	172.5	173.5	0	0	0	0	107.6
419	C	22.8	Very low	27	Very low	117 Å²	117	132.7 Å²	132.7	79%	0.791	78%	0.777	S	S	*	*			trans	-159.8	122.5	160.6	-128.2	0	0	0	0	105.7
420	L	22.8	Very low	26.8	Very low	143 Å²	143	132.9 Å²	132.9	75%	0.749	78%	0.779	S	S	*	*			cis	75.3	130.8	35.3	-152.3	83.4	0	0	0	113.3
421	C	22.2	Very low	26.6	Very low	108 Å²	108	132.1 Å²	132.1	73%	0.73	77%	0.771	S	S	*	*			trans	69.1	157.5	174.7	-59.5	0	0	0	0	115.9
422	L	23.5	Very low	26.5	Very low	151 Å²	151	136.4 Å²	136.4	79%	0.791	78%	0.775	S	S	*	*			cis	-127.5	156.5	4.1	-103.7	104.9	0	0	0	112.8
423	V	23	Very low	25.6	Very low	127 Å²	127	137.9 Å²	137.9	77%	0.77	77%	0.768	S	S	*	*			trans	-83.2	136.4	151.2	171.8	0	0	0	0	108.3
424	T	23.2	Very low	24.4	Very low	125 Å²	125	143 Å²	143	77%	0.767	77%	0.773	S	S	*	*			trans	-125.1	134.6	171.5	53.6	0	0	0	0	110.7
425	N	21.8	Very low	24.2	Very low	153 Å²	153	144.1 Å²	144.1	82%	0.818	77%	0.774	S	S	*	*			trans	-133.1	142.4	-169.7	-130	-9.4	0	0	0	110.9
426	A	23.1	Very low	24.1	Very low	90 Å²	90	145.2 Å²	145.2	74%	0.744	78%	0.779	S	S	*	*			trans	66.9	169.2	163.5	0	0	0	0	0	117.1
427	P	34.1	Very low	24	Very low	124 Å²	124	147.4 Å²	147.4	81%	0.805	78%	0.782	S	S	*	*			cis	-126.4	-161.9	3.7	41.8	-24.6	0	0	0	116.2
428	Q	23.6	Very low	23.8	Very low	183 Å²	183	143.5 Å²	143.5	86%	0.855	77%	0.768	S	S	*	*			trans	-112.9	164.6	-152.8	-48.3	150	-81.3	0	0	115.6
429	S	22.9	Very low	23.8	Very low	107 Å²	107	143.7 Å²	143.7	75%	0.748	77%	0.765	S	S	*	*			trans	-158.6	131.4	133.5	49	0	0	0	0	108.2
430	Q	23.8	Very low	23.9	Very low	163 Å²	163	147.6 Å²	147.6	76%	0.762	77%	0.769	S	S	*	*				60	132.3	66.1	-73.3	-168.8	-78.1	0	0	114
431	E	24.6	Very low	23.9	Very low	138 Å²	138	147.8 Å²	147.8	65%	0.645	77%	0.767	S	S	*	*			cis	-151.1	168	-12.8	-145	162.9	128.5	0	0	107.3
432	E	23.7	Very low	24	Very low	151 Å²	151	148.2 Å²	148.2	71%	0.706	76%	0.762	S	S	*	*				-174.8	167.4	89.3	-151.6	-159.8	130.3	0	0	110.3	R434	E432-R434 IonicContact OE1-CZ 3.67Å; E432-R434 IonicContact OE1-NE 3.79Å; E432-R434 IonicContact OE1-NH2 2.73Å; E432-R434 PolarHBondContact OE1-NH2 3.1Å; E432-R434 IonicContact OE2-NH2 3.97Å
433	K	23.4	Very low	24.1	Very low	163 Å²	163	146.9 Å²	146.9	71%	0.709	76%	0.755	S	S	*	*			trans	-99.1	148.7	179.4	-60.6	156.9	-174.4	150	0	111.7
434	R	23.4	Very low	24.1	Very low	218 Å²	218	148.5 Å²	148.5	82%	0.823	76%	0.758	S	S	*	*			trans	-157	151.5	138.4	-123.6	157.2	-89.6	-156.2	-1.7	113.3	E432	E432-R434 IonicContact OE1-CZ 3.67Å; E432-R434 IonicContact OE1-NE 3.79Å; E432-R434 IonicContact OE1-NH2 2.73Å; E432-R434 PolarHBondContact OE1-NH2 3.1Å; E432-R434 IonicContact OE2-NH2 3.97Å
435	Q	23.5	Very low	24.2	Very low	182 Å²	182	146.9 Å²	146.9	85%	0.85	75%	0.752	S	S	*	*			trans	-127	132.6	-173.9	172.9	176.8	-12.7	0	0	109
436	I	24.5	Very low	25.1	Very low	169 Å²	169	144.4 Å²	144.4	87%	0.867	74%	0.744	S	S	*	*			trans	-141.4	158.8	169.1	-95.2	150.7	0	0	0	108.1
437	K	22.6	Very low	25.1	Very low	184 Å²	184	148 Å²	148	80%	0.8	75%	0.75	S	S	*	*			trans	-136.9	148	-168.2	179.3	-170.4	172.8	-169.7	0	109.7
438	S	23	Very low	24.6	Very low	87 Å²	87	147.2 Å²	147.2	61%	0.608	75%	0.747	S	S	*	*			trans	77.9	153.4	165.9	87.3	0	0	0	0	119.4
439	D	23.8	Very low	24.7	Very low	135 Å²	135	143.1 Å²	143.1	72%	0.722	74%	0.739	S	S	*	*			trans	54.3	105.7	152.6	-41.5	-38.8	0	0	0	120.2
440	F	24.6	Very low	25.2	Very low	199 Å²	199	144.1 Å²	144.1	87%	0.873	74%	0.743	S	S	*	*				-154.6	157.2	99.5	-131.9	-100.5	0	0	0	112.5
441	M	23.8	Very low	25.3	Very low	146 Å²	146	141.8 Å²	141.8	72%	0.719	74%	0.743	S	S	*	*			trans	-145	131.5	179.1	-140	-68.5	-79.9	0	0	108.4
442	N	25	Very low	25.3	Very low	117 Å²	117	139.8 Å²	139.8	63%	0.626	75%	0.751	S	S	*	*			trans	64.5	165.3	168.9	-107.5	6.1	0	0	0	114.5
443	I	24.7	Very low	25.3	Very low	123 Å²	123	137.6 Å²	137.6	63%	0.631	75%	0.752	S	S	*	*			cis	-135.2	165.9	-11.1	-25.5	161.1	0	0	0	105.9
444	L	23.6	Very low	25.5	Very low	162 Å²	162	138.2 Å²	138.2	85%	0.848	76%	0.759	S	S	*	*				-165.5	136.1	85.3	-101	169.5	0	0	0	113
445	S	25.6	Very low	25.8	Very low	90 Å²	90	135.4 Å²	135.4	63%	0.629	76%	0.76	S	S	*	*			trans	-97.8	-142.6	172.1	53.4	0	0	0	0	107.9
446	P	40.3	Very low	26.1	Very low	101 Å²	101	132.7 Å²	132.7	66%	0.656	76%	0.758	S	S	*	*			cis	-135.5	178.4	-19.7	35.4	-16.1	0	0	0	115.2
447	L	22.6	Very low	26.2	Very low	167 Å²	167	130.4 Å²	130.4	87%	0.874	75%	0.752	S	S	*	*			trans	-170	151.3	135.5	-120.3	70.9	0	0	0	106.7
448	S	23.9	Very low	27	Very low	106 Å²	106	126.9 Å²	126.9	74%	0.741	75%	0.748	S	S	*	*			cis	-152.4	-167.1	-8.5	-156.2	0	0	0	0	110.3
449	S	26.5	Very low	27.2	Very low	98 Å²	98	128.2 Å²	128.2	69%	0.685	75%	0.752	S	S	*	*			trans	-146.9	176.5	169.8	-126.8	0	0	0	0	109.1
450	P	32.8	Very low	27.3	Very low	128 Å²	128	130.3 Å²	130.3	83%	0.831	76%	0.757	S	S	*	*			cis	-142.3	-148.3	39.3	42.3	-19.6	0	0	0	115.3
451	C	24.9	Very low	27.3	Very low	114 Å²	114	127.8 Å²	127.8	77%	0.77	75%	0.753	S	S	*	*			trans	-119.5	169.5	-153.5	-50.3	0	0	0	0	116.3
452	A	24.4	Very low	27.5	Very low	96 Å²	96	124.3 Å²	124.3	79%	0.793	74%	0.743	S	S	*	*				110.2	130.5	128	0	0	0	0	0	122.1
453	S	25.3	Very low	27.6	Very low	105 Å²	105	127.8 Å²	127.8	73%	0.734	76%	0.756	S	S	*	*			trans	96.7	143.9	134	-131.7	0	0	0	0	122.9
454	M	25.9	Very low	27.7	Very low	175 Å²	175	125.9 Å²	125.9	86%	0.862	77%	0.767	S	S	*	*			trans	65.5	142.6	162.2	-57.8	-50.3	-167.5	0	0	122.7
455	L	31.2	Very low	27.9	Very low	160 Å²	160	122 Å²	122	84%	0.838	77%	0.765	S	S	*	*			trans	-90.8	162.8	161.8	-67.6	164.9	0	0	0	109.6
456	P	29.3	Very low	28	Very low	124 Å²	124	124.1 Å²	124.1	81%	0.805	77%	0.774	S	S	*	*				-145.6	174.5	99.5	39.6	-25.2	0	0	0	115.5
457	T	26.6	Very low	27.4	Very low	122 Å²	122	127.5 Å²	127.5	75%	0.748	79%	0.787	S	S	*	*			trans	-106.1	-170.4	164.9	59	0	0	0	0	108.8
458	P	40.1	Very low	27.8	Very low	110 Å²	110	128.6 Å²	128.6	71%	0.714	79%	0.787	S	S	*	*			cis	-136.8	-157.3	-4.6	25.3	2.5	0	0	0	113.7
459	V	26.3	Very low	28.1	Very low	114 Å²	114	130.7 Å²	130.7	69%	0.691	79%	0.789	S	S	*	*			trans	96.2	121.7	152.8	-175.4	0	0	0	0	119.7
460	E	25.3	Very low	28.2	Very low	179 Å²	179	135.9 Å²	135.9	84%	0.836	80%	0.8	S	S	*	*			trans	18	150.9	143.5	-60.6	159.4	-168	0	0	121.5
461	D	26.1	Very low	27.9	Very low	147 Å²	147	135 Å²	135	79%	0.786	80%	0.797	S	S	*	*			cis	-166.7	-163.3	-24.2	-156.5	29.4	0	0	0	105.6
462	S	27.1	Very low	28.2	Very low	73 Å²	73	135.3 Å²	135.3	51%	0.51	80%	0.8	S	S	.	*			cis	-159.5	-178.7	4.8	-155.8	0	0	0	0	112.1
463	Q	27.7	Very low	28.7	Very low	190 Å²	190	136 Å²	136	89%	0.888	80%	0.797	S	S	*	*			trans	25.1	117.7	154.7	-70.8	167.5	40	0	0	120.6
464	G	26.4	Very low	29.1	Very low	83 Å²	83	138 Å²	138	86%	0.856	81%	0.805	S	S	*	*			trans	168.5	54.9	167.9	0	0	0	0	0	114.1
465	G	27.1	Very low	29.6	Very low	79 Å²	79	135.9 Å²	135.9	81%	0.814	79%	0.792	S	S	*	*			trans	-77.2	141	-159.6	0	0	0	0	0	117.4
466	V	27.8	Very low	29.8	Very low	136 Å²	136	131.4 Å²	131.4	82%	0.824	77%	0.774	S	S	*	*			trans	-143.2	111.2	146.2	-91.1	0	0	0	0	109
467	N	27.8	Very low	30.4	Very low	172 Å²	172	130 Å²	130	92%	0.92	77%	0.765	S	S	*	*			trans	-174.6	70.6	159.4	-100.2	-36.6	0	0	0	110.1
468	Q	31	Very low	31.1	Very low	189 Å²	189	127.2 Å²	127.2	88%	0.883	76%	0.755	S	S	*	*			trans	-121.9	105.1	159.4	-78.2	-165.4	8.7	0	0	109
469	L	29.8	Very low	31.2	Very low	150 Å²	150	130 Å²	130	79%	0.785	75%	0.751	S	S	*	*	S	Bend	trans	-170.1	153.6	148.1	-100.8	158.5	0	0	0	106.9
470	F	29.8	Very low	31.9	Very low	207 Å²	207	128.7 Å²	128.7	91%	0.908	74%	0.74	S	S	*	*			trans	68	66.6	-171.9	-51	-66.7	0	0	0	116.2
471	S	27	Very low	32.8	Very low	109 Å²	109	125.4 Å²	125.4	76%	0.762	73%	0.727	S	S	*	*			trans	-124.2	88.4	171.5	43.8	0	0	0	0	112.6
472	S	29.6	Very low	33.8	Very low	121 Å²	121	127.3 Å²	127.3	85%	0.846	72%	0.723	S	S	*	*			trans	-163.2	158	160.1	-95.2	0	0	0	0	112.6
473	P	36.4	Very low	34.6	Very low	111 Å²	111	128.3 Å²	128.3	72%	0.721	72%	0.72	S	S	*	*			trans	-117.3	122.8	-133.6	37	-27.6	0	0	0	116
474	V	32.4	Very low	35.3	Very low	148 Å²	148	123.5 Å²	123.5	90%	0.897	70%	0.7	S	S	*	*			trans	-96.9	101.1	159.3	-177.9	0	0	0	0	108.8	S476	V474-S476 PolarHBondContact O-N 3.35Å
475	Q	36.3	Very low	36.4	Very low	129 Å²	129	126.3 Å²	126.3	60%	0.603	69%	0.691	S	S	*	*			trans	-68.6	128.4	179.8	-70.3	178.9	-26.4	0	0	111.4
476	S	35.4	Very low	37.4	Very low	66 Å²	66	126.2 Å²	126.2	46%	0.462	68%	0.682	S	S	.	*			trans	-78.2	145	175.3	88	0	0	0	0	111.1	V474 A478 R479	V474-S476 PolarHBondContact O-N 3.35Å; S476-A478 PolarHBondContact O-N 3.29Å; S476-R479 PolarHBondContact O-N 2.95Å
477	P	42.6	Very low	38.7	Very low	95 Å²	95	122.5 Å²	122.5	62%	0.617	66%	0.658	S	S	*	*	H	α-helix	trans	-58.3	-15.3	-179.5	-27.3	35.5	0	0	0	115.1	L481	P477-L481 WeakPolarHBondContact O-CB 3.48Å; P477-L481 PolarHBondContact O-N 3.24Å
478	A	40.8	Very low	40.3	Very low	64 Å²	64	118.8 Å²	118.8	53%	0.529	64%	0.643	S	S	.	*	H	α-helix	trans	-78.9	-16.7	178	0	0	0	0	0	114.2	S476	S476-A478 PolarHBondContact O-N 3.29Å
479	R	43.5	Very low	41.8	Very low	168 Å²	168	115.7 Å²	115.7	63%	0.634	63%	0.632	S	S	*	*	H	α-helix	trans	-83	-48	170	-86.7	-172.2	171	152.8	-2.4	111.7	S476 L481 R482 E483	S476-R479 PolarHBondContact O-N 2.95Å; R479-L481 VanDerWaalsContact C-N 3.28Å; R479-L481 PolarHBondContact O-N 3.19Å; R479-R482 CarbonylContact O-C 3.53Å; R479-R482 WeakPolarHBondContact O-CA 3.49Å; R479-R482 WeakPolarHBondContact O-CB 2.88Å; R479-R482 PolarHBondContact O-N 3.07Å; R479-E483 PolarHBondContact O-N 2.83Å
480	L	41	Very low	43.1	Very low	86 Å²	86	111.4 Å²	111.4	45%	0.45	61%	0.61	S	S	.	*	H	α-helix	trans	-54.4	-41.9	174.9	-112.2	164.7	0	0	0	112.7	R482 L484	L480-R482 PolarHBondContact O-N 3Å; L480-L484 HydrophobicContact CD2-CD1 4Å; L480-L484 HydrophobicContact CD2-CG 4.39Å; L480-L484 WeakPolarHBondContact O-CB 3.1Å; L480-L484 WeakPolarHBondContact O-CG 3.45Å; L480-L484 PolarHBondContact O-N 2.87Å
481	L	42.6	Very low	44.5	Very low	111 Å²	111	105.3 Å²	105.3	58%	0.581	58%	0.584	S	S	*	*	H	α-helix	trans	-73.5	-4.3	174.7	-107.5	169.4	0	0	0	115.1	P477 R479 H485	P477-L481 WeakPolarHBondContact O-CB 3.48Å; P477-L481 PolarHBondContact O-N 3.24Å; R479-L481 VanDerWaalsContact C-N 3.28Å; R479-L481 PolarHBondContact O-N 3.19Å; L481-H485 PolarHBondContact O-ND1 3.04Å
482	R	48.9	Very low	46.5	Very low	186 Å²	186	102.7 Å²	102.7	70%	0.702	57%	0.569	S	S	*	*	H	α-helix	trans	-105.7	-35.4	175.2	-171.7	177.4	-69.3	173.1	-4	110.8	R479 L480 H485 A486	R479-R482 CarbonylContact O-C 3.53Å; R479-R482 WeakPolarHBondContact O-CA 3.49Å; R479-R482 WeakPolarHBondContact O-CB 2.88Å; R479-R482 PolarHBondContact O-N 3.07Å; L480-R482 PolarHBondContact O-N 3Å; R482-H485 PolarHBondContact O-N 3.36Å; R482-A486 WeakPolarHBondContact O-CB 3.49Å; R482-A486 PolarHBondContact O-N 3.16Å; R482-A486 VanDerWaalsContact O-N 3.12Å
483	E	41.8	Very low	48.1	Very low	95 Å²	95	103.6 Å²	103.6	44%	0.444	56%	0.56	S	S	.	*	H	α-helix	trans	-66.8	-48	170.9	-72.6	145.7	-169.3	0	0	110.9	R479 H485 A486 D487	R479-E483 PolarHBondContact O-N 2.83Å; E483-H485 PolarHBondContact O-N 3.22Å; E483-A486 CarbonylContact O-C 3.53Å; E483-A486 PolarHBondContact O-N 2.89Å; E483-D487 PolarHBondContact O-N 3.31Å
484	L	44	Very low	49.1	Very low	89 Å²	89	101.5 Å²	101.5	47%	0.466	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-8.2	174.4	-74.1	166.8	0	0	0	115.1	L480 I490	L480-L484 HydrophobicContact CD2-CD1 4Å; L480-L484 HydrophobicContact CD2-CG 4.39Å; L480-L484 WeakPolarHBondContact O-CB 3.1Å; L480-L484 WeakPolarHBondContact O-CG 3.45Å; L480-L484 PolarHBondContact O-N 2.87Å; L484-I490 HydrophobicContact CD2-CD1 4Å
485	H	47.9	Very low	50.8	Low	141 Å²	141	99 Å²	99	65%	0.653	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110	0.2	170.8	-74.7	117.6	0	0	0	112.8	L481 R482 E483	L481-H485 PolarHBondContact O-ND1 3.04Å; R482-H485 PolarHBondContact O-N 3.36Å; E483-H485 PolarHBondContact O-N 3.22Å
486	A	49.3	Very low	52.5	Low	77 Å²	77	95 Å²	95	64%	0.636	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.5	-7.1	173.4	0	0	0	0	0	112.3	R482 E483 P488	R482-A486 WeakPolarHBondContact O-CB 3.49Å; R482-A486 PolarHBondContact O-N 3.16Å; R482-A486 VanDerWaalsContact O-N 3.12Å; E483-A486 CarbonylContact O-C 3.53Å; E483-A486 PolarHBondContact O-N 2.89Å; A486-P488 WeakPolarHBondContact O-CD 3.4Å
487	D	55.5	Low	53.8	Low	58 Å²	58	96.3 Å²	96.3	31%	0.31	51%	0.509	S	S	.	.			trans	-61.1	116.9	171.7	-173.6	-34.2	0	0	0	110.5	E483 D489 I490 Q491	E483-D487 PolarHBondContact O-N 3.31Å; D487-D489 VanDerWaalsContact C-N 3.31Å; D487-D489 PolarHBondContact O-N 3.04Å; D487-D489 WeakPolarHBondContact OD1-CB 3.3Å; D487-D489 PolarHBondContact OD1-N 3.24Å; D487-I490 HydrophobicContact CB-CB 4.09Å; D487-I490 HydrophobicContact CB-CD1 3.93Å; D487-I490 HydrophobicContact CB-CG1 4Å; D487-I490 PolarHBondContact O-N 3.13Å; D487-I490 PolarHBondContact OD1-N 3.42Å; D487-Q491 PolarHBondContact O-N 2.8Å
488	P	60.5	Low	55.1	Low	95 Å²	95	96.4 Å²	96.4	62%	0.617	50%	0.497	S	S	*	.	H	α-helix	trans	-68.5	-29	-176.7	29	-34.9	0	0	0	112.5	A486 Q491 A492	A486-P488 WeakPolarHBondContact O-CD 3.4Å; P488-Q491 PolarHBondContact O-N 2.92Å; P488-A492 VanDerWaalsContact O-CB 3.22Å; P488-A492 WeakPolarHBondContact O-CB 3.43Å; P488-A492 PolarHBondContact O-N 3.03Å
489	D	62.9	Low	56.7	Low	123 Å²	123	98.9 Å²	98.9	66%	0.658	50%	0.497	S	S	*	.	H	α-helix	trans	-72.3	-38.8	179.4	-71.7	-16.7	0	0	0	110.2	D487 A492 Q493	D487-D489 VanDerWaalsContact C-N 3.31Å; D487-D489 PolarHBondContact O-N 3.04Å; D487-D489 WeakPolarHBondContact OD1-CB 3.3Å; D487-D489 PolarHBondContact OD1-N 3.24Å; D489-A492 PolarHBondContact O-N 2.78Å; D489-Q493 WeakPolarHBondContact O-CB 3.25Å; D489-Q493 PolarHBondContact O-N 3.22Å
490	I	56.6	Low	58	Low	61 Å²	61	97.2 Å²	97.2	31%	0.313	49%	0.491	S	S	.	.	H	α-helix	trans	-64.5	-41.2	174	-64.7	-179.4	0	0	0	111.1	L484 D487 L494	L484-I490 HydrophobicContact CD2-CD1 4Å; D487-I490 HydrophobicContact CB-CB 4.09Å; D487-I490 HydrophobicContact CB-CD1 3.93Å; D487-I490 HydrophobicContact CB-CG1 4Å; D487-I490 PolarHBondContact O-N 3.13Å; D487-I490 PolarHBondContact OD1-N 3.42Å; I490-L494 HydrophobicContact CG2-CD1 4.35Å; I490-L494 WeakPolarHBondContact O-CB 3.09Å; I490-L494 PolarHBondContact O-N 3.31Å
491	Q	59.3	Low	58.8	Low	78 Å²	78	98.1 Å²	98.1	36%	0.364	50%	0.497	S	S	.	.	H	α-helix	trans	-69	-41.9	175.9	-177.5	67.1	13.9	0	0	111.8	D487 P488 Q493 L494 E495 R498	D487-Q491 PolarHBondContact O-N 2.8Å; P488-Q491 PolarHBondContact O-N 2.92Å; Q491-Q493 VanDerWaalsContact C-N 3.34Å; Q491-Q493 PolarHBondContact O-N 3.06Å; Q491-L494 WeakPolarHBondContact O-CB 3.21Å; Q491-L494 PolarHBondContact O-N 3.47Å; Q491-E495 PolarHBondContact NE2-OE1 3.3Å; Q491-E495 WeakPolarHBondContact O-CG 3.16Å; Q491-E495 PolarHBondContact O-N 3.45Å; Q491-R498 VanDerWaalsContact NE2-NH1 3.14Å
492	A	68.4	Low	60.1	Low	54 Å²	54	99.2 Å²	99.2	45%	0.446	49%	0.493	S	S	.	.	H	α-helix	trans	-62.8	-39.6	175.5	0	0	0	0	0	111.7	P488 D489 E495 A496	P488-A492 VanDerWaalsContact O-CB 3.22Å; P488-A492 WeakPolarHBondContact O-CB 3.43Å; P488-A492 PolarHBondContact O-N 3.03Å; D489-A492 PolarHBondContact O-N 2.78Å; A492-E495 PolarHBondContact O-N 2.9Å; A492-A496 WeakPolarHBondContact O-CB 3.35Å; A492-A496 PolarHBondContact O-N 3.31Å
493	Q	64.2	Low	61.2	Low	141 Å²	141	95.5 Å²	95.5	66%	0.659	48%	0.484	S	S	*	.	H	α-helix	trans	-68.9	-35.3	175.8	-171.6	168.1	-23.5	0	0	112	D489 Q491 E495 E497	D489-Q493 WeakPolarHBondContact O-CB 3.25Å; D489-Q493 PolarHBondContact O-N 3.22Å; Q491-Q493 VanDerWaalsContact C-N 3.34Å; Q491-Q493 PolarHBondContact O-N 3.06Å; Q493-E495 VanDerWaalsContact C-N 3.34Å; Q493-E497 WeakPolarHBondContact O-CB 3.33Å; Q493-E497 PolarHBondContact O-N 3.2Å
494	L	56.3	Low	62.3	Low	67 Å²	67	97.5 Å²	97.5	35%	0.351	49%	0.491	S	S	.	.	H	α-helix	trans	-65.8	-33.1	168.8	-90.7	164.2	0	0	0	112.8	I490 Q491 R498	I490-L494 HydrophobicContact CG2-CD1 4.35Å; I490-L494 WeakPolarHBondContact O-CB 3.09Å; I490-L494 PolarHBondContact O-N 3.31Å; Q491-L494 WeakPolarHBondContact O-CB 3.21Å; Q491-L494 PolarHBondContact O-N 3.47Å; L494-R498 WeakPolarHBondContact O-CD 3.38Å; L494-R498 WeakPolarHBondContact O-CG 3.4Å; L494-R498 PolarHBondContact O-N 3.13Å
495	E	68.8	Low	62.8	Low	95 Å²	95	96.9 Å²	96.9	44%	0.444	49%	0.486	S	S	.	.	H	α-helix	trans	-77.3	-42.6	176.9	-73.2	179.3	-170.6	0	0	111.8	Q491 A492 Q493 E497 R498 E499	Q491-E495 PolarHBondContact NE2-OE1 3.3Å; Q491-E495 WeakPolarHBondContact O-CG 3.16Å; Q491-E495 PolarHBondContact O-N 3.45Å; A492-E495 PolarHBondContact O-N 2.9Å; Q493-E495 VanDerWaalsContact C-N 3.34Å; E495-E497 PolarHBondContact O-N 3.11Å; E495-R498 CarbonylContact O-C 3.53Å; E495-R498 WeakPolarHBondContact O-CB 3.34Å; E495-R498 PolarHBondContact O-N 2.96Å; E495-R498 VanDerWaalsContact O-N 3.1Å; E495-R498 IonicContact OE1-NH1 3.78Å; E495-R498 PolarHBondContact OE1-NH1 2.82Å; E495-E499 WeakPolarHBondContact O-CG 3.43Å; E495-E499 PolarHBondContact O-N 2.9Å
496	A	72.9	Confident	63.7	Low	46 Å²	46	97.5 Å²	97.5	38%	0.38	48%	0.482	S	S	.	.	H	α-helix	trans	-60.9	-29	168.3	0	0	0	0	0	112.7	A492 R500	A492-A496 WeakPolarHBondContact O-CB 3.35Å; A492-A496 PolarHBondContact O-N 3.31Å; A496-R500 WeakPolarHBondContact O-CB 3.44Å; A496-R500 VanDerWaalsContact O-CG 3.27Å; A496-R500 WeakPolarHBondContact O-CG 3.1Å; A496-R500 PolarHBondContact O-N 3.37Å; A496-R500 PolarHBondContact O-NE 2.86Å
497	E	61	Low	64.4	Low	93 Å²	93	98 Å²	98	44%	0.435	48%	0.477	S	S	.	.	H	α-helix	trans	-73.4	-43.3	170	-168.7	142.3	-93.8	0	0	112.5	Q493 E495 E499 R500 D501	Q493-E497 WeakPolarHBondContact O-CB 3.33Å; Q493-E497 PolarHBondContact O-N 3.2Å; E495-E497 PolarHBondContact O-N 3.11Å; E497-E499 PolarHBondContact O-N 2.72Å; E497-R500 VanDerWaalsContact CB-NH2 3.32Å; E497-R500 PolarHBondContact O-N 2.9Å; E497-R500 IonicContact OE1-CZ 2.78Å; E497-R500 IonicContact OE1-NH1 2.92Å; E497-R500 IonicContact OE1-NH2 3.92Å; E497-R500 PolarHBondContact OE1-NH2 3.27Å; E497-D501 WeakPolarHBondContact O-CB 3.37Å; E497-D501 PolarHBondContact O-N 3.36Å
498	R	70.8	Confident	64.6	Low	97 Å²	97	101 Å²	101	37%	0.366	49%	0.485	S	S	.	.	H	α-helix	trans	-60.9	-32.2	171.8	-68.5	159.9	-164.5	148.2	7.3	112	Q491 L494 E495 R502	Q491-R498 VanDerWaalsContact NE2-NH1 3.14Å; L494-R498 WeakPolarHBondContact O-CD 3.38Å; L494-R498 WeakPolarHBondContact O-CG 3.4Å; L494-R498 PolarHBondContact O-N 3.13Å; E495-R498 CarbonylContact O-C 3.53Å; E495-R498 WeakPolarHBondContact O-CB 3.34Å; E495-R498 PolarHBondContact O-N 2.96Å; E495-R498 VanDerWaalsContact O-N 3.1Å; E495-R498 IonicContact OE1-NH1 3.78Å; E495-R498 PolarHBondContact OE1-NH1 2.82Å; R498-R502 VanDerWaalsContact O-CG 3.24Å; R498-R502 WeakPolarHBondContact O-CG 3.12Å; R498-R502 PolarHBondContact O-N 3.41Å
499	E	73.7	Confident	64.6	Low	115 Å²	115	101.3 Å²	101.3	54%	0.537	48%	0.481	S	S	.	.	H	α-helix	trans	-76.5	-43.2	175.5	-71.1	-169.2	153.9	0	0	112.2	E495 E497 D501 R502 E503	E495-E499 WeakPolarHBondContact O-CG 3.43Å; E495-E499 PolarHBondContact O-N 2.9Å; E497-E499 PolarHBondContact O-N 2.72Å; E499-D501 VanDerWaalsContact C-N 3.26Å; E499-D501 PolarHBondContact O-N 3.18Å; E499-R502 CarbonylContact O-C 3.59Å; E499-R502 WeakPolarHBondContact O-CB 3.45Å; E499-R502 PolarHBondContact O-N 3.01Å; E499-R502 VanDerWaalsContact O-N 3.1Å; E499-E503 WeakPolarHBondContact O-CB 3.33Å; E499-E503 WeakPolarHBondContact O-CG 3.36Å; E499-E503 PolarHBondContact O-N 3.39Å
500	R	72.3	Confident	64.7	Low	133 Å²	133	97.5 Å²	97.5	50%	0.502	47%	0.466	S	S	.	.	H	α-helix	trans	-58.2	-36.4	168.4	-75.5	-179.8	-63.3	129	3.2	112.3	A496 E497 E503 F504	A496-R500 WeakPolarHBondContact O-CB 3.44Å; A496-R500 VanDerWaalsContact O-CG 3.27Å; A496-R500 WeakPolarHBondContact O-CG 3.1Å; A496-R500 PolarHBondContact O-N 3.37Å; A496-R500 PolarHBondContact O-NE 2.86Å; E497-R500 VanDerWaalsContact CB-NH2 3.32Å; E497-R500 PolarHBondContact O-N 2.9Å; E497-R500 IonicContact OE1-CZ 2.78Å; E497-R500 IonicContact OE1-NH1 2.92Å; E497-R500 IonicContact OE1-NH2 3.92Å; E497-R500 PolarHBondContact OE1-NH2 3.27Å; R500-E503 PolarHBondContact O-N 3.14Å; R500-F504 WeakPolarHBondContact O-CB 3.37Å; R500-F504 PolarHBondContact O-N 2.7Å
501	D	57.1	Low	64.6	Low	106 Å²	106	96.7 Å²	96.7	57%	0.567	47%	0.469	S	S	*	.	H	α-helix	trans	-66.6	-41.8	172.6	-96.5	-5.7	0	0	0	112.3	E497 E499 F504 E505	E497-D501 WeakPolarHBondContact O-CB 3.37Å; E497-D501 PolarHBondContact O-N 3.36Å; E499-D501 VanDerWaalsContact C-N 3.26Å; E499-D501 PolarHBondContact O-N 3.18Å; D501-F504 PolarHBondContact O-N 3.13Å; D501-E505 PolarHBondContact O-N 3.35Å
502	R	70.8	Confident	64.2	Low	134 Å²	134	101.8 Å²	101.8	51%	0.506	48%	0.484	S	S	.	.	H	α-helix	trans	-65	-39.7	173.6	-72.7	166.7	-172.1	137.2	-5.9	111.6	R498 E499 E505 R506	R498-R502 VanDerWaalsContact O-CG 3.24Å; R498-R502 WeakPolarHBondContact O-CG 3.12Å; R498-R502 PolarHBondContact O-N 3.41Å; E499-R502 CarbonylContact O-C 3.59Å; E499-R502 WeakPolarHBondContact O-CB 3.45Å; E499-R502 PolarHBondContact O-N 3.01Å; E499-R502 VanDerWaalsContact O-N 3.1Å; R502-E505 PolarHBondContact O-N 2.8Å; R502-R506 WeakPolarHBondContact O-CB 3.45Å; R502-R506 VanDerWaalsContact O-CG 3.25Å; R502-R506 WeakPolarHBondContact O-CG 3.24Å; R502-R506 PolarHBondContact O-N 2.98Å
503	E	70.4	Confident	63.4	Low	108 Å²	108	103.3 Å²	103.3	51%	0.505	49%	0.492	S	S	.	.	H	α-helix	trans	-70.7	-34.5	175.1	-71.7	-163.5	149.3	0	0	112.5	E499 R500 R506 T507	E499-E503 WeakPolarHBondContact O-CB 3.33Å; E499-E503 WeakPolarHBondContact O-CG 3.36Å; E499-E503 PolarHBondContact O-N 3.39Å; R500-E503 PolarHBondContact O-N 3.14Å; E503-R506 PolarHBondContact O-N 3.31Å; E503-R506 IonicContact OE1-NH1 3.43Å; E503-T507 WeakPolarHBondContact O-CB 3.44Å; E503-T507 PolarHBondContact O-N 2.84Å; E503-T507 PolarHBondContact O-OG1 2.8Å
504	F	65.5	Low	62.7	Low	136 Å²	136	105.4 Å²	105.4	60%	0.596	49%	0.494	S	S	*	.	H	α-helix	trans	-66.7	-39.3	170.8	-175.3	-106	0	0	0	111	R500 D501 T507 R508	R500-F504 WeakPolarHBondContact O-CB 3.37Å; R500-F504 PolarHBondContact O-N 2.7Å; D501-F504 PolarHBondContact O-N 3.13Å; F504-T507 CarbonylContact O-C 3.55Å; F504-T507 PolarHBondContact O-N 2.87Å; F504-R508 WeakPolarHBondContact O-CB 3.09Å; F504-R508 PolarHBondContact O-N 2.96Å
505	E	55.4	Low	62.3	Low	76 Å²	76	107.5 Å²	107.5	36%	0.355	50%	0.503	S	S	.	.	H	α-helix	trans	-66.8	-43.9	171.3	-83.5	-73.7	-168	0	0	112.7	D501 R502 T507 R508 L509	D501-E505 PolarHBondContact O-N 3.35Å; R502-E505 PolarHBondContact O-N 2.8Å; E505-T507 VanDerWaalsContact C-N 3.29Å; E505-T507 PolarHBondContact O-N 3.06Å; E505-R508 CarbonylContact O-C 3.54Å; E505-R508 PolarHBondContact O-N 3.42Å; E505-R508 VanDerWaalsContact O-N 3.15Å; E505-R508 IonicContact OE1-CZ 2.79Å; E505-R508 IonicContact OE1-NE 2.8Å; E505-R508 IonicContact OE1-NH1 3.54Å; E505-R508 IonicContact OE1-NH2 2.62Å; E505-R508 PolarHBondContact OE1-NH2 2.9Å; E505-R508 IonicContact OE2-CZ 2.7Å; E505-R508 IonicContact OE2-NE 2.76Å; E505-R508 PolarHBondContact OE2-NE 3.01Å; E505-R508 IonicContact OE2-NH2 3.99Å; E505-R508 PolarHBondContact OE2-NH2 3.16Å; E505-L509 WeakPolarHBondContact O-CB 3.38Å; E505-L509 VanDerWaalsContact O-CG 3.31Å; E505-L509 WeakPolarHBondContact O-CG 3.42Å; E505-L509 PolarHBondContact O-N 3.41Å
506	R	66	Low	61.4	Low	154 Å²	154	106.8 Å²	106.8	58%	0.581	51%	0.509	S	S	*	.	H	α-helix	trans	-56.8	-45.1	171.1	-71.7	168.2	-169.9	152.6	-1.1	110.6	R502 E503 R508 L509 A510	R502-R506 WeakPolarHBondContact O-CB 3.45Å; R502-R506 VanDerWaalsContact O-CG 3.25Å; R502-R506 WeakPolarHBondContact O-CG 3.24Å; R502-R506 PolarHBondContact O-N 2.98Å; E503-R506 PolarHBondContact O-N 3.31Å; E503-R506 IonicContact OE1-NH1 3.43Å; R506-R508 VanDerWaalsContact C-N 3.35Å; R506-L509 PolarHBondContact O-N 3.42Å; R506-A510 VanDerWaalsContact O-CB 3.24Å; R506-A510 WeakPolarHBondContact O-CB 3.34Å; R506-A510 PolarHBondContact O-N 3.1Å
507	T	64.7	Low	60.4	Low	87 Å²	87	106.6 Å²	106.6	53%	0.534	51%	0.511	S	S	.	.	H	α-helix	trans	-68.6	-32.6	177.6	-59.7	0	0	0	0	111.5	E503 F504 E505 A511	E503-T507 WeakPolarHBondContact O-CB 3.44Å; E503-T507 PolarHBondContact O-N 2.84Å; E503-T507 PolarHBondContact O-OG1 2.8Å; F504-T507 CarbonylContact O-C 3.55Å; F504-T507 PolarHBondContact O-N 2.87Å; E505-T507 VanDerWaalsContact C-N 3.29Å; E505-T507 PolarHBondContact O-N 3.06Å; T507-A511 WeakPolarHBondContact O-CA 3.49Å; T507-A511 WeakPolarHBondContact O-CB 3.33Å; T507-A511 PolarHBondContact O-N 3.13Å
508	R	58.8	Low	60	Low	122 Å²	122	106.9 Å²	106.9	46%	0.46	52%	0.515	S	S	.	.	H	α-helix	trans	-73.3	-36.7	175.3	-168.2	-179.3	74.3	158.6	7.1	111.6	F504 E505 R506 R512	F504-R508 WeakPolarHBondContact O-CB 3.09Å; F504-R508 PolarHBondContact O-N 2.96Å; E505-R508 CarbonylContact O-C 3.54Å; E505-R508 PolarHBondContact O-N 3.42Å; E505-R508 VanDerWaalsContact O-N 3.15Å; E505-R508 IonicContact OE1-CZ 2.79Å; E505-R508 IonicContact OE1-NE 2.8Å; E505-R508 IonicContact OE1-NH1 3.54Å; E505-R508 IonicContact OE1-NH2 2.62Å; E505-R508 PolarHBondContact OE1-NH2 2.9Å; E505-R508 IonicContact OE2-CZ 2.7Å; E505-R508 IonicContact OE2-NE 2.76Å; E505-R508 PolarHBondContact OE2-NE 3.01Å; E505-R508 IonicContact OE2-NH2 3.99Å; E505-R508 PolarHBondContact OE2-NH2 3.16Å; R506-R508 VanDerWaalsContact C-N 3.35Å; R508-R512 VanDerWaalsContact O-CB 3.22Å; R508-R512 WeakPolarHBondContact O-CB 3.33Å; R508-R512 PolarHBondContact O-N 3.06Å
509	L	61.1	Low	59.1	Low	102 Å²	102	107.9 Å²	107.9	53%	0.534	53%	0.527	S	S	.	.	H	α-helix	trans	-70.8	-43.8	172.5	-70.1	169	0	0	0	111.2	E505 R506 A511 R512 S513	E505-L509 WeakPolarHBondContact O-CB 3.38Å; E505-L509 VanDerWaalsContact O-CG 3.31Å; E505-L509 WeakPolarHBondContact O-CG 3.42Å; E505-L509 PolarHBondContact O-N 3.41Å; R506-L509 PolarHBondContact O-N 3.42Å; L509-A511 VanDerWaalsContact C-N 3.35Å; L509-R512 CarbonylContact O-C 3.48Å; L509-R512 WeakPolarHBondContact O-CB 3.39Å; L509-R512 PolarHBondContact O-N 3.14Å; L509-R512 VanDerWaalsContact O-N 3.13Å; L509-S513 PolarHBondContact O-N 3.49Å
510	A	64	Low	58	Low	42 Å²	42	104.4 Å²	104.4	35%	0.347	52%	0.517	S	S	.	.	H	α-helix	trans	-62.9	-40.5	171.8	0	0	0	0	0	111.5	R506 R512 S513 R514	R506-A510 VanDerWaalsContact O-CB 3.24Å; R506-A510 WeakPolarHBondContact O-CB 3.34Å; R506-A510 PolarHBondContact O-N 3.1Å; A510-R512 VanDerWaalsContact C-N 3.32Å; A510-S513 PolarHBondContact O-N 2.64Å; A510-R514 WeakPolarHBondContact O-CB 3.4Å; A510-R514 VanDerWaalsContact O-CG 3.32Å; A510-R514 WeakPolarHBondContact O-CG 3.34Å; A510-R514 PolarHBondContact O-N 2.78Å
511	A	56.2	Low	56.9	Low	45 Å²	45	100.9 Å²	100.9	37%	0.372	51%	0.514	S	S	.	.	H	α-helix	trans	-68.2	-29.6	172.7	0	0	0	0	0	111.9	T507 L509 M515	T507-A511 WeakPolarHBondContact O-CA 3.49Å; T507-A511 WeakPolarHBondContact O-CB 3.33Å; T507-A511 PolarHBondContact O-N 3.13Å; L509-A511 VanDerWaalsContact C-N 3.35Å; A511-M515 WeakPolarHBondContact O-CA 3.15Å; A511-M515 WeakPolarHBondContact O-CB 3.23Å; A511-M515 PolarHBondContact O-N 3.29Å
512	R	49.8	Very low	56.4	Low	184 Å²	184	98.4 Å²	98.4	69%	0.694	50%	0.504	S	S	*	.	H	α-helix	trans	-72.9	-36	173	-167.8	173.4	-173.7	170.2	-1.5	111.7	R508 L509 A510 M515 S516	R508-R512 VanDerWaalsContact O-CB 3.22Å; R508-R512 WeakPolarHBondContact O-CB 3.33Å; R508-R512 PolarHBondContact O-N 3.06Å; L509-R512 CarbonylContact O-C 3.48Å; L509-R512 WeakPolarHBondContact O-CB 3.39Å; L509-R512 PolarHBondContact O-N 3.14Å; L509-R512 VanDerWaalsContact O-N 3.13Å; A510-R512 VanDerWaalsContact C-N 3.32Å; R512-M515 PolarHBondContact O-N 3.34Å; R512-S516 PolarHBondContact O-N 3.29Å
513	S	52	Low	55.5	Low	86 Å²	86	98 Å²	98	60%	0.601	51%	0.511	S	S	*	.	H	α-helix	trans	-65.8	-49.5	169.2	-177.7	0	0	0	0	111.3	L509 A510 M515 S516 G517	L509-S513 PolarHBondContact O-N 3.49Å; A510-S513 PolarHBondContact O-N 2.64Å; S513-M515 VanDerWaalsContact C-N 3.3Å; S513-M515 PolarHBondContact O-N 2.84Å; S513-S516 WeakPolarHBondContact O-CA 3.42Å; S513-S516 VanDerWaalsContact O-CB 3.26Å; S513-S516 WeakPolarHBondContact O-CB 3.47Å; S513-S516 PolarHBondContact O-N 3.19Å; S513-S516 VanDerWaalsContact O-N 3.08Å; S513-G517 PolarHBondContact O-N 3.34Å
514	R	50	Low	54.6	Low	185 Å²	185	101.7 Å²	101.7	70%	0.698	52%	0.521	S	S	*	.	H	α-helix	trans	-60.6	-36.1	172.2	-69.2	178.5	-168	-178.1	5.4	112.2	A510 G517 I518	A510-R514 WeakPolarHBondContact O-CB 3.4Å; A510-R514 VanDerWaalsContact O-CG 3.32Å; A510-R514 WeakPolarHBondContact O-CG 3.34Å; A510-R514 PolarHBondContact O-N 2.78Å; R514-G517 CarbonylContact O-C 3.54Å; R514-G517 PolarHBondContact O-N 2.54Å; R514-I518 WeakPolarHBondContact O-CB 3.28Å; R514-I518 WeakPolarHBondContact O-CD1 3.2Å; R514-I518 WeakPolarHBondContact O-CG1 3.28Å; R514-I518 PolarHBondContact O-N 3.32Å
515	M	46.5	Very low	53.9	Low	111 Å²	111	101.2 Å²	101.2	55%	0.547	52%	0.524	S	S	.	.	H	α-helix	trans	-69.4	-33.6	174.8	-166	91.5	68.1	0	0	111.1	A511 R512 S513 I518 L519	A511-M515 WeakPolarHBondContact O-CA 3.15Å; A511-M515 WeakPolarHBondContact O-CB 3.23Å; A511-M515 PolarHBondContact O-N 3.29Å; R512-M515 PolarHBondContact O-N 3.34Å; S513-M515 VanDerWaalsContact C-N 3.3Å; S513-M515 PolarHBondContact O-N 2.84Å; M515-I518 PolarHBondContact O-N 3.05Å; M515-L519 HydrophobicContact CG-CD1 4.27Å; M515-L519 VanDerWaalsContact O-CB 3.25Å; M515-L519 WeakPolarHBondContact O-CB 3.28Å; M515-L519 WeakPolarHBondContact O-CG 3.3Å; M515-L519 PolarHBondContact O-N 2.98Å
516	S	51	Low	53.6	Low	81 Å²	81	102.5 Å²	102.5	57%	0.566	53%	0.533	S	S	*	.	H	α-helix	trans	-62.6	-45.5	168.4	-162.1	0	0	0	0	110.6	R512 S513 L519 A520	R512-S516 PolarHBondContact O-N 3.29Å; S513-S516 WeakPolarHBondContact O-CA 3.42Å; S513-S516 VanDerWaalsContact O-CB 3.26Å; S513-S516 WeakPolarHBondContact O-CB 3.47Å; S513-S516 PolarHBondContact O-N 3.19Å; S513-S516 VanDerWaalsContact O-N 3.08Å; S516-L519 PolarHBondContact O-N 3.36Å; S516-A520 WeakPolarHBondContact O-CB 3.43Å; S516-A520 PolarHBondContact O-N 2.84Å
517	G	52.1	Low	52.7	Low	42 Å²	42	98 Å²	98	43%	0.433	53%	0.525	S	S	.	.	H	α-helix	trans	-64.1	-36.4	173.8	0	0	0	0	0	114.3	S513 R514 S521	S513-G517 PolarHBondContact O-N 3.34Å; R514-G517 CarbonylContact O-C 3.54Å; R514-G517 PolarHBondContact O-N 2.54Å; G517-S521 VanDerWaalsContact O-CB 3.26Å; G517-S521 WeakPolarHBondContact O-CB 3.49Å; G517-S521 PolarHBondContact O-N 3.48Å
518	I	51.8	Low	52	Low	99 Å²	99	98.7 Å²	98.7	51%	0.508	53%	0.533	S	S	.	.	H	α-helix	trans	-75	-38.7	176.9	-70.7	161.8	0	0	0	110.3	R514 M515 S521 S522	R514-I518 WeakPolarHBondContact O-CB 3.28Å; R514-I518 WeakPolarHBondContact O-CD1 3.2Å; R514-I518 WeakPolarHBondContact O-CG1 3.28Å; R514-I518 PolarHBondContact O-N 3.32Å; M515-I518 PolarHBondContact O-N 3.05Å; I518-S521 CarbonylContact O-C 3.53Å; I518-S521 PolarHBondContact O-N 3.26Å; I518-S522 WeakPolarHBondContact O-CB 3.34Å; I518-S522 PolarHBondContact O-N 2.89Å; I518-S522 PolarHBondContact O-OG 3.37Å; I518-S522 VanDerWaalsContact O-OG 3.1Å
519	L	51	Low	51.9	Low	117 Å²	117	97.2 Å²	97.2	61%	0.613	53%	0.534	S	S	*	.	H	α-helix	trans	-63.9	-42	171.1	-74.8	167.5	0	0	0	110.7	M515 S516 S521 S522 L523	M515-L519 HydrophobicContact CG-CD1 4.27Å; M515-L519 VanDerWaalsContact O-CB 3.25Å; M515-L519 WeakPolarHBondContact O-CB 3.28Å; M515-L519 WeakPolarHBondContact O-CG 3.3Å; M515-L519 PolarHBondContact O-N 2.98Å; S516-L519 PolarHBondContact O-N 3.36Å; L519-S521 VanDerWaalsContact C-N 3.33Å; L519-S521 PolarHBondContact O-N 3.5Å; L519-S522 PolarHBondContact O-N 3.36Å; L519-L523 VanDerWaalsContact O-CB 3.28Å; L519-L523 WeakPolarHBondContact O-CB 3.48Å; L519-L523 PolarHBondContact O-N 3.06Å
520	A	52	Low	51.7	Low	42 Å²	42	100.2 Å²	100.2	35%	0.347	55%	0.546	S	S	.	.	H	α-helix	trans	-63.9	-35.7	172.1	0	0	0	0	0	112.6	S516 L523 R524	S516-A520 WeakPolarHBondContact O-CB 3.43Å; S516-A520 PolarHBondContact O-N 2.84Å; A520-L523 PolarHBondContact O-N 2.87Å; A520-R524 WeakPolarHBondContact O-CG 3.34Å; A520-R524 PolarHBondContact O-N 3.37Å
521	S	47.9	Very low	51.3	Low	60 Å²	60	108.6 Å²	108.6	42%	0.42	57%	0.568	S	S	.	*	H	α-helix	trans	-70.3	-43.1	175.1	-171.9	0	0	0	0	112.2	G517 I518 L519 L523 R524 L525	G517-S521 VanDerWaalsContact O-CB 3.26Å; G517-S521 WeakPolarHBondContact O-CB 3.49Å; G517-S521 PolarHBondContact O-N 3.48Å; I518-S521 CarbonylContact O-C 3.53Å; I518-S521 PolarHBondContact O-N 3.26Å; L519-S521 VanDerWaalsContact C-N 3.33Å; L519-S521 PolarHBondContact O-N 3.5Å; S521-L523 VanDerWaalsContact C-N 3.29Å; S521-L523 PolarHBondContact O-N 3.04Å; S521-R524 WeakPolarHBondContact O-CB 3.28Å; S521-R524 PolarHBondContact O-N 3.36Å; S521-R524 VanDerWaalsContact O-N 3.16Å; S521-L525 PolarHBondContact O-N 3.4Å
522	S	47.3	Very low	51.4	Low	53 Å²	53	109.1 Å²	109.1	37%	0.371	57%	0.566	S	S	.	*	H	α-helix	trans	-64.5	-33.4	171.7	-63.8	0	0	0	0	112	I518 L519 L525 L526	I518-S522 WeakPolarHBondContact O-CB 3.34Å; I518-S522 PolarHBondContact O-N 2.89Å; I518-S522 PolarHBondContact O-OG 3.37Å; I518-S522 VanDerWaalsContact O-OG 3.1Å; L519-S522 PolarHBondContact O-N 3.36Å; S522-L525 PolarHBondContact O-N 3.31Å; S522-L526 WeakPolarHBondContact O-CB 3.43Å; S522-L526 WeakPolarHBondContact O-CG 3.41Å; S522-L526 PolarHBondContact O-N 3.21Å
523	L	51.7	Low	51.9	Low	125 Å²	125	103.6 Å²	103.6	65%	0.654	55%	0.551	S	S	*	*	H	α-helix	trans	-67.1	-38	172.4	-155.6	74.3	0	0	0	111.3	L519 A520 S521 L526 S527	L519-L523 VanDerWaalsContact O-CB 3.28Å; L519-L523 WeakPolarHBondContact O-CB 3.48Å; L519-L523 PolarHBondContact O-N 3.06Å; A520-L523 PolarHBondContact O-N 2.87Å; S521-L523 VanDerWaalsContact C-N 3.29Å; S521-L523 PolarHBondContact O-N 3.04Å; L523-L526 PolarHBondContact O-N 3.48Å; L523-S527 PolarHBondContact O-N 3.4Å; L523-S527 PolarHBondContact O-OG 3.07Å
524	R	51.7	Low	52.6	Low	187 Å²	187	104.3 Å²	104.3	71%	0.706	55%	0.552	S	S	*	*	H	α-helix	trans	-67.4	-38	171.9	-70.8	174.5	-166	-165.7	3.9	112.9	A520 S521 S527 S528	A520-R524 WeakPolarHBondContact O-CG 3.34Å; A520-R524 PolarHBondContact O-N 3.37Å; S521-R524 WeakPolarHBondContact O-CB 3.28Å; S521-R524 PolarHBondContact O-N 3.36Å; S521-R524 VanDerWaalsContact O-N 3.16Å; R524-S527 WeakPolarHBondContact CA-OG 3.31Å; R524-S527 PolarHBondContact O-N 3.11Å; R524-S527 PolarHBondContact O-OG 2.96Å; R524-S528 PolarHBondContact O-N 2.92Å
525	L	51.3	Low	53.6	Low	125 Å²	125	104.9 Å²	104.9	65%	0.654	55%	0.554	S	S	*	*	H	α-helix	trans	-66.4	-38.5	173.5	-80.7	162.4	0	0	0	111.6	S521 S522 S528	S521-L525 PolarHBondContact O-N 3.4Å; S522-L525 PolarHBondContact O-N 3.31Å; L525-S528 WeakPolarHBondContact O-CB 3.49Å; L525-S528 PolarHBondContact O-N 2.73Å
526	L	49.4	Very low	54.9	Low	104 Å²	104	103.7 Å²	103.7	55%	0.545	55%	0.553	S	S	.	*	H	α-helix	trans	-68.7	-33.3	171.9	-81.1	162	0	0	0	112.8	S522 L523 S528	S522-L526 WeakPolarHBondContact O-CB 3.43Å; S522-L526 WeakPolarHBondContact O-CG 3.41Å; S522-L526 PolarHBondContact O-N 3.21Å; L523-L526 PolarHBondContact O-N 3.48Å; L526-S528 PolarHBondContact O-N 2.92Å
527	S	46.3	Very low	55.9	Low	60 Å²	60	103.4 Å²	103.4	42%	0.42	54%	0.544	S	S	.	.	H	α-helix	trans	-74	-9.8	174.3	70.2	0	0	0	0	114	L523 R524 N529	L523-S527 PolarHBondContact O-N 3.4Å; L523-S527 PolarHBondContact O-OG 3.07Å; R524-S527 WeakPolarHBondContact CA-OG 3.31Å; R524-S527 PolarHBondContact O-N 3.11Å; R524-S527 PolarHBondContact O-OG 2.96Å; S527-N529 PolarHBondContact O-N 2.85Å
528	S	49.2	Very low	57.3	Low	100 Å²	100	103.2 Å²	103.2	70%	0.699	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-2.3	178	-165.5	0	0	0	0	114.2	R524 L525 L526	R524-S528 PolarHBondContact O-N 2.92Å; L525-S528 WeakPolarHBondContact O-CB 3.49Å; L525-S528 PolarHBondContact O-N 2.73Å; L526-S528 PolarHBondContact O-N 2.92Å
529	N	57	Low	58.7	Low	91 Å²	91	101.9 Å²	101.9	49%	0.487	54%	0.539	S	S	.	.			trans	-126.9	94.7	-176.4	-167.9	-22.8	0	0	0	109.8	S527 R531 V532 N533	S527-N529 PolarHBondContact O-N 2.85Å; N529-R531 VanDerWaalsContact C-N 3.28Å; N529-R531 PolarHBondContact O-N 2.99Å; N529-R531 VanDerWaalsContact O-N 3.16Å; N529-V532 HydrophobicContact CB-CB 4.31Å; N529-V532 HydrophobicContact CB-CG2 4.2Å; N529-V532 PolarHBondContact O-N 3.2Å; N529-N533 PolarHBondContact O-N 2.9Å
530	E	57.2	Low	59.9	Low	166 Å²	166	98.9 Å²	98.9	78%	0.776	53%	0.531	S	S	*	.	H	α-helix	trans	-52.6	-42.2	-167.1	-60.1	-175.7	133.2	0	0	113.7	V532 N533 T534	E530-V532 VanDerWaalsContact C-N 3.31Å; E530-V532 PolarHBondContact O-N 2.89Å; E530-N533 PolarHBondContact O-N 3.1Å; E530-T534 PolarHBondContact O-N 3.04Å; E530-T534 PolarHBondContact O-OG1 2.95Å; E530-T534 VanDerWaalsContact O-OG1 3.09Å
531	R	56.4	Low	61.5	Low	218 Å²	218	104.8 Å²	104.8	82%	0.823	54%	0.544	S	S	*	.	H	α-helix	trans	-65.3	-32.6	179.7	-66.3	-176.7	177.5	-171.2	-1	113	N529 T534	N529-R531 VanDerWaalsContact C-N 3.28Å; N529-R531 PolarHBondContact O-N 2.99Å; N529-R531 VanDerWaalsContact O-N 3.16Å; R531-T534 PolarHBondContact O-OG1 3.29Å; R531-T534 VanDerWaalsContact O-OG1 3.1Å
532	V	58.4	Low	63.3	Low	55 Å²	55	108.7 Å²	108.7	33%	0.333	55%	0.554	S	S	.	*	H	α-helix	trans	-78.1	-42.4	175.4	-178.3	0	0	0	0	109.8	N529 E530 T534 W535 V536	N529-V532 HydrophobicContact CB-CB 4.31Å; N529-V532 HydrophobicContact CB-CG2 4.2Å; N529-V532 PolarHBondContact O-N 3.2Å; E530-V532 VanDerWaalsContact C-N 3.31Å; E530-V532 PolarHBondContact O-N 2.89Å; V532-T534 PolarHBondContact O-N 2.64Å; V532-W535 PolarHBondContact O-N 3.14Å; V532-V536 HydrophobicContact CG1-CG2 3.88Å; V532-V536 WeakPolarHBondContact O-CB 3.42Å; V532-V536 WeakPolarHBondContact O-CG2 3.45Å; V532-V536 PolarHBondContact O-N 2.83Å
533	N	59.3	Low	65.1	Low	69 Å²	69	109.8 Å²	109.8	37%	0.369	56%	0.558	S	S	.	*	H	α-helix	trans	-58.1	-46.3	178.9	-167.9	11.5	0	0	0	111.6	N529 E530 W535 L537	N529-N533 PolarHBondContact O-N 2.9Å; E530-N533 PolarHBondContact O-N 3.1Å; N533-W535 VanDerWaalsContact C-N 3.35Å; N533-W535 PolarHBondContact O-N 2.99Å; N533-L537 WeakPolarHBondContact O-CB 3.28Å; N533-L537 PolarHBondContact O-N 3.29Å
534	T	67.4	Low	66.6	Low	101 Å²	101	106.8 Å²	106.8	62%	0.62	55%	0.552	S	S	*	*	H	α-helix	trans	-59.9	-40.3	175.8	42.4	0	0	0	0	113.4	E530 R531 V532 G538	E530-T534 PolarHBondContact O-N 3.04Å; E530-T534 PolarHBondContact O-OG1 2.95Å; E530-T534 VanDerWaalsContact O-OG1 3.09Å; R531-T534 PolarHBondContact O-OG1 3.29Å; R531-T534 VanDerWaalsContact O-OG1 3.1Å; V532-T534 PolarHBondContact O-N 2.64Å; T534-G538 PolarHBondContact O-N 3.27Å
535	W	70.8	Confident	68.5	Low	196 Å²	196	102.4 Å²	102.4	74%	0.742	55%	0.545	S	S	*	.	H	α-helix	trans	-74.9	-44.5	-178.5	-134.8	85.4	0	0	0	111.8	V532 N533 G538 V539	V532-W535 PolarHBondContact O-N 3.14Å; N533-W535 VanDerWaalsContact C-N 3.35Å; N533-W535 PolarHBondContact O-N 2.99Å; W535-G538 PolarHBondContact O-N 3.44Å; W535-V539 HydrophobicContact CE3-CG2 3.84Å; W535-V539 HydrophobicContact CZ3-CG2 3.87Å; W535-V539 WeakPolarHBondContact O-CG2 3.39Å; W535-V539 PolarHBondContact O-N 3.21Å
536	V	73	Confident	70.2	Confident	86 Å²	86	101.1 Å²	101.1	52%	0.521	54%	0.538	S	S	.	.	H	α-helix	trans	-66.2	-40.5	177.7	173.2	0	0	0	0	111.2	V532 G538 V539 A540	V532-V536 HydrophobicContact CG1-CG2 3.88Å; V532-V536 WeakPolarHBondContact O-CB 3.42Å; V532-V536 WeakPolarHBondContact O-CG2 3.45Å; V532-V536 PolarHBondContact O-N 2.83Å; V536-G538 VanDerWaalsContact C-N 3.34Å; V536-V539 PolarHBondContact O-N 3.24Å; V536-A540 VanDerWaalsContact O-CB 3.28Å; V536-A540 WeakPolarHBondContact O-CB 3.05Å; V536-A540 PolarHBondContact O-N 2.8Å
537	L	72.7	Confident	71.9	Confident	75 Å²	75	100.8 Å²	100.8	39%	0.393	54%	0.535	S	S	.	.	H	α-helix	trans	-67.5	-34.8	174.2	-174.1	61.8	0	0	0	111.8	N533 R541	N533-L537 WeakPolarHBondContact O-CB 3.28Å; N533-L537 PolarHBondContact O-N 3.29Å; L537-R541 HydrophobicContact CD1-CG 4.49Å; L537-R541 VanDerWaalsContact O-CB 3.31Å; L537-R541 WeakPolarHBondContact O-CB 3.3Å; L537-R541 VanDerWaalsContact O-CG 3.22Å; L537-R541 WeakPolarHBondContact O-CG 3.3Å; L537-R541 PolarHBondContact O-N 3.12Å
538	G	82.1	Confident	73.9	Confident	38 Å²	38	99.3 Å²	99.3	39%	0.392	53%	0.53	S	S	.	.	H	α-helix	trans	-60.8	-50.3	170.9	0	0	0	0	0	112.3	T534 W535 V536 R541 F542	T534-G538 PolarHBondContact O-N 3.27Å; W535-G538 PolarHBondContact O-N 3.44Å; V536-G538 VanDerWaalsContact C-N 3.34Å; G538-R541 PolarHBondContact O-N 3.17Å; G538-F542 WeakPolarHBondContact O-CB 3.31Å; G538-F542 PolarHBondContact O-N 3.17Å
539	V	80.9	Confident	75.9	Confident	71 Å²	71	98.1 Å²	98.1	43%	0.43	52%	0.518	S	S	.	.	H	α-helix	trans	-62.8	-43.1	175.7	173.3	0	0	0	0	111.5	W535 V536 R541 F542 V543	W535-V539 HydrophobicContact CE3-CG2 3.84Å; W535-V539 HydrophobicContact CZ3-CG2 3.87Å; W535-V539 WeakPolarHBondContact O-CG2 3.39Å; W535-V539 PolarHBondContact O-N 3.21Å; V536-V539 PolarHBondContact O-N 3.24Å; V539-R541 PolarHBondContact O-N 3.29Å; V539-F542 PolarHBondContact O-N 2.78Å; V539-V543 HydrophobicContact CG1-CG2 4.38Å; V539-V543 WeakPolarHBondContact O-CB 3.16Å; V539-V543 WeakPolarHBondContact O-CG2 3.36Å; V539-V543 PolarHBondContact O-N 2.84Å
540	A	77	Confident	77.2	Confident	54 Å²	54	98.1 Å²	98.1	45%	0.446	52%	0.518	S	S	.	.	H	α-helix	trans	-63.4	-40.9	177.8	0	0	0	0	0	112.2	V536 A544	V536-A540 VanDerWaalsContact O-CB 3.28Å; V536-A540 WeakPolarHBondContact O-CB 3.05Å; V536-A540 PolarHBondContact O-N 2.8Å; A540-A544 VanDerWaalsContact O-CB 3.3Å; A540-A544 WeakPolarHBondContact O-CB 3.04Å; A540-A544 PolarHBondContact O-N 2.81Å
541	R	84	Confident	78.4	Confident	167 Å²	167	96 Å²	96	63%	0.63	51%	0.511	S	S	*	.	H	α-helix	trans	-64.4	-44	172.7	-75.9	171.5	176.4	-178	-1	111.6	L537 G538 V539 A544 V545	L537-R541 HydrophobicContact CD1-CG 4.49Å; L537-R541 VanDerWaalsContact O-CB 3.31Å; L537-R541 WeakPolarHBondContact O-CB 3.3Å; L537-R541 VanDerWaalsContact O-CG 3.22Å; L537-R541 WeakPolarHBondContact O-CG 3.3Å; L537-R541 PolarHBondContact O-N 3.12Å; G538-R541 PolarHBondContact O-N 3.17Å; V539-R541 PolarHBondContact O-N 3.29Å; R541-A544 PolarHBondContact O-N 2.76Å; R541-V545 WeakPolarHBondContact O-CB 3.3Å; R541-V545 WeakPolarHBondContact O-CG2 3.36Å; R541-V545 PolarHBondContact O-N 2.77Å
542	F	86.3	Confident	79.6	Confident	142 Å²	142	91 Å²	91	62%	0.623	50%	0.5	S	S	*	.	H	α-helix	trans	-61	-44.9	176.5	-179.2	-97.5	0	0	0	111.9	G538 V539 V545 L546	G538-F542 WeakPolarHBondContact O-CB 3.31Å; G538-F542 PolarHBondContact O-N 3.17Å; V539-F542 PolarHBondContact O-N 2.78Å; F542-V545 PolarHBondContact O-N 2.9Å; F542-L546 HydrophobicContact CE1-CD2 4.34Å; F542-L546 VanDerWaalsContact O-CB 3.28Å; F542-L546 WeakPolarHBondContact O-CB 3.49Å; F542-L546 PolarHBondContact O-N 2.85Å
543	V	84.1	Confident	80.8	Confident	75 Å²	75	91.8 Å²	91.8	46%	0.455	50%	0.504	S	S	.	.	H	α-helix	trans	-64.1	-42	175.3	171.5	0	0	0	0	111.4	V539 L546 M547	V539-V543 HydrophobicContact CG1-CG2 4.38Å; V539-V543 WeakPolarHBondContact O-CB 3.16Å; V539-V543 WeakPolarHBondContact O-CG2 3.36Å; V539-V543 PolarHBondContact O-N 2.84Å; V543-L546 PolarHBondContact O-N 3.46Å; V543-M547 HydrophobicContact CG1-CG 4.38Å; V543-M547 WeakPolarHBondContact O-CB 3.47Å; V543-M547 VanDerWaalsContact O-CG 3.26Å; V543-M547 WeakPolarHBondContact O-CG 3.39Å; V543-M547 PolarHBondContact O-N 3.33Å
544	A	84.1	Confident	81.9	Confident	63 Å²	63	91.6 Å²	91.6	52%	0.521	51%	0.505	S	S	.	.	H	α-helix	trans	-64.2	-42.1	176.8	0	0	0	0	0	112.4	A540 R541 G548	A540-A544 VanDerWaalsContact O-CB 3.3Å; A540-A544 WeakPolarHBondContact O-CB 3.04Å; A540-A544 PolarHBondContact O-N 2.81Å; R541-A544 PolarHBondContact O-N 2.76Å; A544-G548 PolarHBondContact O-N 3.16Å
545	V	91	Very high	82.4	Confident	94 Å²	94	89.8 Å²	89.8	57%	0.57	50%	0.495	S	S	*	.	H	α-helix	trans	-65.1	-45.8	174.5	169.7	0	0	0	0	110.8	R541 F542 M547 G548 V549	R541-V545 WeakPolarHBondContact O-CB 3.3Å; R541-V545 WeakPolarHBondContact O-CG2 3.36Å; R541-V545 PolarHBondContact O-N 2.77Å; F542-V545 PolarHBondContact O-N 2.9Å; V545-M547 PolarHBondContact O-N 3.18Å; V545-G548 PolarHBondContact O-N 3.18Å; V545-V549 HydrophobicContact CG1-CG2 4.33Å; V545-V549 WeakPolarHBondContact O-CB 3.35Å; V545-V549 WeakPolarHBondContact O-CG2 3.33Å; V545-V549 PolarHBondContact O-N 3.21Å
546	L	88.3	Confident	82.9	Confident	98 Å²	98	83.8 Å²	83.8	51%	0.513	48%	0.481	S	S	.	.	H	α-helix	trans	-61	-43.3	178.2	-177.2	63.6	0	0	0	111.8	F542 V543 L550	F542-L546 HydrophobicContact CE1-CD2 4.34Å; F542-L546 VanDerWaalsContact O-CB 3.28Å; F542-L546 WeakPolarHBondContact O-CB 3.49Å; F542-L546 PolarHBondContact O-N 2.85Å; V543-L546 PolarHBondContact O-N 3.46Å; L546-L550 WeakPolarHBondContact O-CB 3.27Å; L546-L550 PolarHBondContact O-N 3.04Å
547	M	84.1	Confident	83.3	Confident	97 Å²	97	83.8 Å²	83.8	48%	0.478	48%	0.477	S	S	.	.	H	α-helix	trans	-66.1	-40	174.4	-72.4	-60.8	-56.5	0	0	112.2	V543 V545 L550 L551	V543-M547 HydrophobicContact CG1-CG 4.38Å; V543-M547 WeakPolarHBondContact O-CB 3.47Å; V543-M547 VanDerWaalsContact O-CG 3.26Å; V543-M547 WeakPolarHBondContact O-CG 3.39Å; V543-M547 PolarHBondContact O-N 3.33Å; V545-M547 PolarHBondContact O-N 3.18Å; M547-L550 PolarHBondContact O-N 3.31Å; M547-L551 WeakPolarHBondContact O-CB 3.35Å; M547-L551 WeakPolarHBondContact O-CD1 3.37Å; M547-L551 VanDerWaalsContact O-CG 3.23Å; M547-L551 WeakPolarHBondContact O-CG 3.49Å; M547-L551 PolarHBondContact O-N 3.19Å
548	G	88.9	Confident	83.5	Confident	30 Å²	30	81.4 Å²	81.4	31%	0.309	47%	0.465	S	S	.	.	H	α-helix	trans	-65	-43	176.3	0	0	0	0	0	112.8	A544 V545 L551 I552	A544-G548 PolarHBondContact O-N 3.16Å; V545-G548 PolarHBondContact O-N 3.18Å; G548-L551 PolarHBondContact O-N 3.2Å; G548-I552 WeakPolarHBondContact O-CG1 3.15Å; G548-I552 PolarHBondContact O-N 3.36Å
549	V	90.1	Very high	83.4	Confident	75 Å²	75	84.8 Å²	84.8	46%	0.455	47%	0.474	S	S	.	.	H	α-helix	trans	-60.7	-49	172.4	170.1	0	0	0	0	110.1	V545 L551 I552 T553	V545-V549 HydrophobicContact CG1-CG2 4.33Å; V545-V549 WeakPolarHBondContact O-CB 3.35Å; V545-V549 WeakPolarHBondContact O-CG2 3.33Å; V545-V549 PolarHBondContact O-N 3.21Å; V549-L551 VanDerWaalsContact C-N 3.31Å; V549-L551 PolarHBondContact O-N 3.23Å; V549-I552 PolarHBondContact O-N 3.16Å; V549-T553 HydrophobicContact CG1-CG2 3.86Å; V549-T553 WeakPolarHBondContact O-CG2 3.38Å; V549-T553 PolarHBondContact O-N 3.16Å; V549-T553 PolarHBondContact O-OG1 3.06Å; V549-T553 VanDerWaalsContact O-OG1 3.07Å
550	L	85.1	Confident	83.3	Confident	91 Å²	91	84.9 Å²	84.9	48%	0.476	47%	0.471	S	S	.	.	H	α-helix	trans	-60	-39.1	179.2	-167	76.9	0	0	0	112.6	L546 M547 I552 V554	L546-L550 WeakPolarHBondContact O-CB 3.27Å; L546-L550 PolarHBondContact O-N 3.04Å; M547-L550 PolarHBondContact O-N 3.31Å; L550-I552 PolarHBondContact O-N 3.11Å; L550-V554 HydrophobicContact CD1-CG2 3.68Å; L550-V554 HydrophobicContact CG-CG2 3.96Å; L550-V554 WeakPolarHBondContact O-CB 3.1Å; L550-V554 WeakPolarHBondContact O-CG2 3.4Å; L550-V554 PolarHBondContact O-N 3.02Å; L550-V554 VanDerWaalsContact O-N 3.12Å
551	L	81.9	Confident	83.1	Confident	122 Å²	122	83 Å²	83	64%	0.639	45%	0.453	S	S	*	.	H	α-helix	trans	-67.3	-16.1	176.6	-78.1	166.9	0	0	0	113.8	M547 G548 V549 P555	M547-L551 WeakPolarHBondContact O-CB 3.35Å; M547-L551 WeakPolarHBondContact O-CD1 3.37Å; M547-L551 VanDerWaalsContact O-CG 3.23Å; M547-L551 WeakPolarHBondContact O-CG 3.49Å; M547-L551 PolarHBondContact O-N 3.19Å; G548-L551 PolarHBondContact O-N 3.2Å; V549-L551 VanDerWaalsContact C-N 3.31Å; V549-L551 PolarHBondContact O-N 3.23Å; L551-P555 WeakPolarHBondContact O-CD 3.4Å; L551-P555 WeakPolarHBondContact O-CG 3.06Å
552	I	82.9	Confident	82.6	Confident	113 Å²	113	77.6 Å²	77.6	58%	0.579	44%	0.435	S	S	*	.	H	α-helix	trans	-99.8	-52.2	174.3	-63.6	167.8	0	0	0	110	G548 V549 L550 V554 P555 T556	G548-I552 WeakPolarHBondContact O-CG1 3.15Å; G548-I552 PolarHBondContact O-N 3.36Å; V549-I552 PolarHBondContact O-N 3.16Å; L550-I552 PolarHBondContact O-N 3.11Å; I552-V554 PolarHBondContact O-N 2.98Å; I552-P555 WeakPolarHBondContact O-CD 3.48Å; I552-T556 WeakPolarHBondContact O-CB 3.37Å; I552-T556 PolarHBondContact O-N 3.28Å; I552-T556 PolarHBondContact O-OG1 2.91Å; I552-T556 VanDerWaalsContact O-OG1 3.05Å
553	T	83	Confident	82.2	Confident	70 Å²	70	72.6 Å²	72.6	43%	0.429	42%	0.418	S	S	.	.	H	α-helix	trans	-66.3	-35.9	-172.8	57.5	0	0	0	0	113.2	V549 L557	V549-T553 HydrophobicContact CG1-CG2 3.86Å; V549-T553 WeakPolarHBondContact O-CG2 3.38Å; V549-T553 PolarHBondContact O-N 3.16Å; V549-T553 PolarHBondContact O-OG1 3.06Å; V549-T553 VanDerWaalsContact O-OG1 3.07Å; T553-L557 WeakPolarHBondContact O-CB 3.37Å; T553-L557 PolarHBondContact O-N 3.22Å
554	V	81.8	Confident	81.4	Confident	65 Å²	65	76.8 Å²	76.8	39%	0.394	44%	0.438	S	S	.	.	H	α-helix	trans	-69.3	-49.7	179.7	175.3	0	0	0	0	111.4	L550 I552 T556 L557 L558	L550-V554 HydrophobicContact CD1-CG2 3.68Å; L550-V554 HydrophobicContact CG-CG2 3.96Å; L550-V554 WeakPolarHBondContact O-CB 3.1Å; L550-V554 WeakPolarHBondContact O-CG2 3.4Å; L550-V554 PolarHBondContact O-N 3.02Å; L550-V554 VanDerWaalsContact O-N 3.12Å; I552-V554 PolarHBondContact O-N 2.98Å; V554-T556 PolarHBondContact O-N 3.48Å; V554-L557 PolarHBondContact O-N 3.38Å; V554-L558 HydrophobicContact CG1-CD1 3.8Å; V554-L558 WeakPolarHBondContact O-CB 3.39Å; V554-L558 WeakPolarHBondContact O-CD1 3.22Å; V554-L558 VanDerWaalsContact O-CG 3.26Å; V554-L558 WeakPolarHBondContact O-CG 3.43Å; V554-L558 PolarHBondContact O-N 3.12Å
555	P	79.3	Confident	81	Confident	63 Å²	63	77.6 Å²	77.6	41%	0.409	43%	0.433	S	S	.	.	H	α-helix	trans	-60	-40.6	171.8	-28.6	38.3	0	0	0	114.3	L551 I552 L558 L559	L551-P555 WeakPolarHBondContact O-CD 3.4Å; L551-P555 WeakPolarHBondContact O-CG 3.06Å; I552-P555 WeakPolarHBondContact O-CD 3.48Å; P555-L558 PolarHBondContact O-N 3.01Å; P555-L559 WeakPolarHBondContact O-CG 3.48Å; P555-L559 PolarHBondContact O-N 3.42Å
556	T	80.3	Confident	79.7	Confident	71 Å²	71	80 Å²	80	44%	0.436	44%	0.442	S	S	.	.	H	α-helix	trans	-64.7	-41.8	177.2	-60.2	0	0	0	0	112	I552 V554 L558 L559 L560	I552-T556 WeakPolarHBondContact O-CB 3.37Å; I552-T556 PolarHBondContact O-N 3.28Å; I552-T556 PolarHBondContact O-OG1 2.91Å; I552-T556 VanDerWaalsContact O-OG1 3.05Å; V554-T556 PolarHBondContact O-N 3.48Å; T556-L558 VanDerWaalsContact C-N 3.33Å; T556-L558 PolarHBondContact O-N 3.11Å; T556-L559 PolarHBondContact O-N 2.76Å; T556-L560 HydrophobicContact CG2-CD1 4.24Å; T556-L560 WeakPolarHBondContact O-CG 3.03Å; T556-L560 PolarHBondContact O-N 2.71Å
557	L	81.1	Confident	79.3	Confident	85 Å²	85	78.6 Å²	78.6	45%	0.445	44%	0.438	S	S	.	.	H	α-helix	trans	-63.8	-39.2	175.8	-179	61.2	0	0	0	111.7	T553 V554 L560 L561	T553-L557 WeakPolarHBondContact O-CB 3.37Å; T553-L557 PolarHBondContact O-N 3.22Å; V554-L557 PolarHBondContact O-N 3.38Å; L557-L560 PolarHBondContact O-N 3.43Å; L557-L561 HydrophobicContact CD1-CD1 4.22Å; L557-L561 HydrophobicContact CG-CD1 3.98Å; L557-L561 WeakPolarHBondContact O-CB 3.22Å; L557-L561 WeakPolarHBondContact O-CD1 3.47Å; L557-L561 VanDerWaalsContact O-CG 3.32Å; L557-L561 WeakPolarHBondContact O-CG 3.3Å; L557-L561 PolarHBondContact O-N 2.97Å
558	L	77.4	Confident	78.8	Confident	26 Å²	26	79 Å²	79	14%	0.136	45%	0.45	C	S	.	.	H	α-helix	trans	-67.9	-38	176.8	-69.8	163.3	0	0	0	112.3	V554 P555 T556 L561 E562 F582 Y587	V554-L558 HydrophobicContact CG1-CD1 3.8Å; V554-L558 WeakPolarHBondContact O-CB 3.39Å; V554-L558 WeakPolarHBondContact O-CD1 3.22Å; V554-L558 VanDerWaalsContact O-CG 3.26Å; V554-L558 WeakPolarHBondContact O-CG 3.43Å; V554-L558 PolarHBondContact O-N 3.12Å; P555-L558 PolarHBondContact O-N 3.01Å; T556-L558 VanDerWaalsContact C-N 3.33Å; T556-L558 PolarHBondContact O-N 3.11Å; L558-L561 PolarHBondContact O-N 2.92Å; L558-E562 PolarHBondContact O-N 3.35Å; L558-F582 HydrophobicContact CD2-CE1 4.01Å; L558-Y587 HydrophobicContact CB-CD2 4.48Å; L558-Y587 HydrophobicContact CB-CE2 3.8Å; L558-Y587 HydrophobicContact CD1-CD2 3.86Å; L558-Y587 HydrophobicContact CD1-CE2 3.75Å; L558-Y587 HydrophobicContact CD2-CD2 4.09Å; L558-Y587 HydrophobicContact CD2-CE2 4.24Å; L558-Y587 HydrophobicContact CG-CD2 4.37Å; L558-Y587 HydrophobicContact CG-CE2 4.14Å
559	L	79.8	Confident	78.3	Confident	109 Å²	109	83.8 Å²	83.8	57%	0.571	46%	0.462	S	S	*	.	H	α-helix	trans	-64.3	-41.8	172.3	-79.8	164.3	0	0	0	112.3	P555 T556 L561 E562 S563	P555-L559 WeakPolarHBondContact O-CG 3.48Å; P555-L559 PolarHBondContact O-N 3.42Å; T556-L559 PolarHBondContact O-N 2.76Å; L559-L561 VanDerWaalsContact C-N 3.31Å; L559-L561 PolarHBondContact O-N 3.16Å; L559-E562 PolarHBondContact O-N 3.48Å; L559-S563 PolarHBondContact O-N 2.84Å; L559-S563 PolarHBondContact O-OG 2.88Å
560	L	78.6	Confident	77.7	Confident	72 Å²	72	81 Å²	81	38%	0.377	45%	0.445	S	S	.	.	H	α-helix	trans	-63.3	-38.6	174.1	-71.3	168.1	0	0	0	111.5	T556 L557 S563 I565 L570 R574	T556-L560 HydrophobicContact CG2-CD1 4.24Å; T556-L560 WeakPolarHBondContact O-CG 3.03Å; T556-L560 PolarHBondContact O-N 2.71Å; L557-L560 PolarHBondContact O-N 3.43Å; L560-S563 WeakPolarHBondContact CA-OG 3.12Å; L560-S563 PolarHBondContact O-N 3.02Å; L560-S563 PolarHBondContact O-OG 3.49Å; L560-I565 HydrophobicContact CD2-CD1 4.07Å; L560-L570 HydrophobicContact CB-CD1 4.39Å; L560-R574 PolarHBondContact O-NH2 2.87Å
561	L	73.8	Confident	77.2	Confident	14 Å²	14	80.7 Å²	80.7	7%	0.073	44%	0.441	C	S	.	.	H	α-helix	trans	-70.3	-26.3	175.4	-74.2	162.9	0	0	0	113.3	L557 L558 L559 L570 I573 R574 F579	L557-L561 HydrophobicContact CD1-CD1 4.22Å; L557-L561 HydrophobicContact CG-CD1 3.98Å; L557-L561 WeakPolarHBondContact O-CB 3.22Å; L557-L561 WeakPolarHBondContact O-CD1 3.47Å; L557-L561 VanDerWaalsContact O-CG 3.32Å; L557-L561 WeakPolarHBondContact O-CG 3.3Å; L557-L561 PolarHBondContact O-N 2.97Å; L558-L561 PolarHBondContact O-N 2.92Å; L559-L561 VanDerWaalsContact C-N 3.31Å; L559-L561 PolarHBondContact O-N 3.16Å; L561-L570 HydrophobicContact CD2-CB 4.38Å; L561-L570 HydrophobicContact CD2-CD2 3.83Å; L561-L570 HydrophobicContact CG-CD2 4.27Å; L561-I573 HydrophobicContact CD1-CG2 4.37Å; L561-I573 HydrophobicContact CD2-CB 4.12Å; L561-I573 HydrophobicContact CD2-CG2 3.71Å; L561-R574 PolarHBondContact O-NE 3.24Å; L561-R574 PolarHBondContact O-NH2 3.01Å; L561-F579 HydrophobicContact CB-CE2 4.15Å; L561-F579 HydrophobicContact CB-CZ 3.96Å; L561-F579 HydrophobicContact CD1-CD2 4.41Å; L561-F579 HydrophobicContact CD1-CE2 3.77Å; L561-F579 HydrophobicContact CD1-CZ 4.4Å; L561-F579 HydrophobicContact CD2-CE2 4.49Å; L561-F579 HydrophobicContact CG-CE2 4.36Å
562	E	73.5	Confident	77	Confident	55 Å²	55	81.1 Å²	81.1	26%	0.257	44%	0.44	S	S	.	.	H	α-helix	trans	-79.4	-25.9	169	-75.9	-158	133.4	0	0	114.2	L558 L559 H583 Y587 R591	L558-E562 PolarHBondContact O-N 3.35Å; L559-E562 PolarHBondContact O-N 3.48Å; E562-H583 IonicContact OE1-CE1 2.7Å; E562-Y587 HydrophobicContact CG-CE1 4.07Å; E562-Y587 WeakPolarHBondContact OE1-CE1 3.19Å; E562-Y587 PolarHBondContact OE2-OH 2.92Å; E562-R591 VanDerWaalsContact CD-NH1 3.33Å; E562-R591 IonicContact OE1-CZ 3.31Å; E562-R591 IonicContact OE1-NE 2.64Å; E562-R591 IonicContact OE1-NH1 3.8Å; E562-R591 PolarHBondContact OE1-NH1 3.21Å; E562-R591 IonicContact OE2-CZ 3.91Å; E562-R591 IonicContact OE2-NE 3.36Å; E562-R591 IonicContact OE2-NH1 3.96Å; E562-R591 PolarHBondContact OE2-NH1 3.37Å; E562-R591 IonicContact OE2-NH2 3.14Å
563	S	76.8	Confident	76.8	Confident	37 Å²	37	77.9 Å²	77.9	26%	0.259	42%	0.423	S	S	.	.	S	Bend	trans	-80.3	141.5	-173.8	63.9	0	0	0	0	114.2	L559 L560 I565 R574	L559-S563 PolarHBondContact O-N 2.84Å; L559-S563 PolarHBondContact O-OG 2.88Å; L560-S563 WeakPolarHBondContact CA-OG 3.12Å; L560-S563 PolarHBondContact O-N 3.02Å; L560-S563 PolarHBondContact O-OG 3.49Å; S563-I565 PolarHBondContact O-N 3.41Å; S563-I565 WeakPolarHBondContact OG-CD1 3.19Å; S563-I565 WeakPolarHBondContact OG-CG1 3.35Å; S563-R574 PolarHBondContact O-NH2 3.48Å
564	D	68.6	Low	76.6	Confident	162 Å²	162	77.8 Å²	77.8	87%	0.866	42%	0.415	S	S	*	.			trans	-70.7	41.8	-180	-60.6	-54.6	0	0	0	114.7
565	I	75	Confident	76.4	Confident	81 Å²	81	81.4 Å²	81.4	42%	0.415	43%	0.427	S	S	.	.			trans	-89.7	112.6	174.7	-49	174.6	0	0	0	108.7	L560 S563 V567	L560-I565 HydrophobicContact CD2-CD1 4.07Å; S563-I565 PolarHBondContact O-N 3.41Å; S563-I565 WeakPolarHBondContact OG-CD1 3.19Å; S563-I565 WeakPolarHBondContact OG-CG1 3.35Å; I565-V567 HydrophobicContact CG2-CG2 3.79Å; I565-V567 PolarHBondContact O-N 3.13Å
566	D	64.4	Low	76.6	Confident	144 Å²	144	80.9 Å²	80.9	77%	0.77	42%	0.423	S	S	*	.			trans	-74.2	71.8	175.5	-81.7	-36.6	0	0	0	112.4
567	V	78.4	Confident	76.3	Confident	69 Å²	69	81.5 Å²	81.5	42%	0.418	43%	0.428	S	S	.	.			trans	-95.6	122.5	161.6	-171.9	0	0	0	0	108.2	I565 F569 L570 H571	I565-V567 HydrophobicContact CG2-CG2 3.79Å; I565-V567 PolarHBondContact O-N 3.13Å; V567-F569 HydrophobicContact CG1-CB 4.4Å; V567-F569 PolarHBondContact O-N 3.2Å; V567-L570 HydrophobicContact CB-CB 4.37Å; V567-L570 HydrophobicContact CB-CD1 4.12Å; V567-L570 HydrophobicContact CB-CG 4.12Å; V567-L570 HydrophobicContact CG2-CD1 4.2Å; V567-L570 PolarHBondContact O-N 3.46Å; V567-H571 PolarHBondContact O-N 3.23Å
568	S	73.7	Confident	76.1	Confident	104 Å²	104	84 Å²	84	73%	0.727	44%	0.437	S	S	*	.	H	α-helix	trans	-50.4	-39.3	-175.1	-42	0	0	0	0	113.4	H571 E572	S568-H571 PolarHBondContact O-N 3.39Å; S568-E572 WeakPolarHBondContact O-CB 3.47Å; S568-E572 PolarHBondContact O-N 3.19Å
569	F	78.5	Confident	76.3	Confident	132 Å²	132	84.1 Å²	84.1	58%	0.579	44%	0.437	S	S	*	.	H	α-helix	trans	-66.6	-37.9	176.9	177.5	-110.1	0	0	0	114	V567 I573	V567-F569 HydrophobicContact CG1-CB 4.4Å; V567-F569 PolarHBondContact O-N 3.2Å; F569-I573 HydrophobicContact CD1-CD1 4Å; F569-I573 HydrophobicContact CD2-CD1 4.48Å; F569-I573 HydrophobicContact CE1-CD1 3.56Å; F569-I573 HydrophobicContact CE2-CD1 4.1Å; F569-I573 HydrophobicContact CG-CD1 4.45Å; F569-I573 HydrophobicContact CZ-CD1 3.63Å; F569-I573 WeakPolarHBondContact O-CG1 3.43Å; F569-I573 PolarHBondContact O-N 2.96Å; F569-I573 VanDerWaalsContact O-N 3.1Å
570	L	77.1	Confident	76.1	Confident	16 Å²	16	84.5 Å²	84.5	8%	0.084	44%	0.436	C	S	.	.	H	α-helix	trans	-73.2	-36.7	176.5	-63.8	179	0	0	0	110.9	L560 L561 V567 I573 R574	L560-L570 HydrophobicContact CB-CD1 4.39Å; L561-L570 HydrophobicContact CD2-CB 4.38Å; L561-L570 HydrophobicContact CD2-CD2 3.83Å; L561-L570 HydrophobicContact CG-CD2 4.27Å; V567-L570 HydrophobicContact CB-CB 4.37Å; V567-L570 HydrophobicContact CB-CD1 4.12Å; V567-L570 HydrophobicContact CB-CG 4.12Å; V567-L570 HydrophobicContact CG2-CD1 4.2Å; V567-L570 PolarHBondContact O-N 3.46Å; L570-I573 PolarHBondContact O-N 3.11Å; L570-R574 WeakPolarHBondContact O-CG 3.37Å; L570-R574 PolarHBondContact O-N 3.42Å
571	H	74.6	Confident	76.2	Confident	85 Å²	85	86.9 Å²	86.9	39%	0.394	45%	0.445	S	S	.	.	H	α-helix	trans	-61.9	-43.7	172.5	179.9	-74.8	0	0	0	111.7	V567 S568 R574 Q575	V567-H571 PolarHBondContact O-N 3.23Å; S568-H571 PolarHBondContact O-N 3.39Å; H571-R574 PolarHBondContact O-N 3.25Å; H571-Q575 PolarHBondContact CE1-NE2 2.88Å; H571-Q575 PolarHBondContact O-N 3.4Å
572	E	79.3	Confident	76.5	Confident	131 Å²	131	90.8 Å²	90.8	61%	0.612	46%	0.462	S	S	*	.	H	α-helix	trans	-61.4	-44.7	174.9	-171.3	173.8	-160.2	0	0	111.9	S568 R574 Q575	S568-E572 WeakPolarHBondContact O-CB 3.47Å; S568-E572 PolarHBondContact O-N 3.19Å; E572-R574 PolarHBondContact O-N 3.01Å; E572-Q575 PolarHBondContact O-N 2.81Å
573	I	78	Confident	76.8	Confident	45 Å²	45	90 Å²	90	23%	0.231	46%	0.458	C	S	.	.	H	α-helix	trans	-60.4	-42.6	175.4	-69.9	166.7	0	0	0	111.8	L561 F569 L570 Q575 T576 F579	L561-I573 HydrophobicContact CD1-CG2 4.37Å; L561-I573 HydrophobicContact CD2-CB 4.12Å; L561-I573 HydrophobicContact CD2-CG2 3.71Å; F569-I573 HydrophobicContact CD1-CD1 4Å; F569-I573 HydrophobicContact CD2-CD1 4.48Å; F569-I573 HydrophobicContact CE1-CD1 3.56Å; F569-I573 HydrophobicContact CE2-CD1 4.1Å; F569-I573 HydrophobicContact CG-CD1 4.45Å; F569-I573 HydrophobicContact CZ-CD1 3.63Å; F569-I573 WeakPolarHBondContact O-CG1 3.43Å; F569-I573 PolarHBondContact O-N 2.96Å; F569-I573 VanDerWaalsContact O-N 3.1Å; L570-I573 PolarHBondContact O-N 3.11Å; I573-Q575 PolarHBondContact O-N 3.44Å; I573-T576 PolarHBondContact O-N 2.67Å; I573-T576 PolarHBondContact O-OG1 2.9Å; I573-F579 HydrophobicContact CG2-CB 4.48Å; I573-F579 HydrophobicContact CG2-CD2 4.24Å; I573-F579 HydrophobicContact CG2-CG 4.32Å; I573-F579 WeakPolarHBondContact O-CB 3.46Å
574	R	78.6	Confident	76.9	Confident	67 Å²	67	95.8 Å²	95.8	25%	0.253	48%	0.475	S	S	.	.	H	α-helix	trans	-58.2	-29.4	178.1	-77.4	173.8	-176.6	140.6	12.1	113.3	L560 L561 S563 L570 H571 E572 F579	L560-R574 PolarHBondContact O-NH2 2.87Å; L561-R574 PolarHBondContact O-NE 3.24Å; L561-R574 PolarHBondContact O-NH2 3.01Å; S563-R574 PolarHBondContact O-NH2 3.48Å; L570-R574 WeakPolarHBondContact O-CG 3.37Å; L570-R574 PolarHBondContact O-N 3.42Å; H571-R574 PolarHBondContact O-N 3.25Å; E572-R574 PolarHBondContact O-N 3.01Å; R574-F579 HydrophobicContact CG-CE1 4.21Å
575	Q	77.4	Confident	77.4	Confident	142 Å²	142	92.8 Å²	92.8	66%	0.664	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-0.2	-179.5	-66.4	-172.4	-21.9	0	0	113.6	H571 E572 I573	H571-Q575 PolarHBondContact CE1-NE2 2.88Å; H571-Q575 PolarHBondContact O-N 3.4Å; E572-Q575 PolarHBondContact O-N 2.81Å; I573-Q575 PolarHBondContact O-N 3.44Å
576	T	83	Confident	77.5	Confident	52 Å²	52	95 Å²	95	32%	0.319	46%	0.46	S	S	.	.			trans	-77.6	130.6	173.8	63.2	0	0	0	0	111.1	I573 E578 F579 E580	I573-T576 PolarHBondContact O-N 2.67Å; I573-T576 PolarHBondContact O-OG1 2.9Å; T576-E578 PolarHBondContact O-N 3.09Å; T576-F579 PolarHBondContact O-N 3.49Å; T576-F579 WeakPolarHBondContact OG1-CB 3.39Å; T576-F579 PolarHBondContact OG1-N 2.82Å; T576-E580 PolarHBondContact O-N 3.18Å; T576-E580 VanDerWaalsContact O-N 3.08Å
577	P	74.3	Confident	78.2	Confident	84 Å²	84	89.6 Å²	89.6	55%	0.545	43%	0.429	S	S	.	.	H	α-helix	trans	-64.7	-24.9	-179.5	26.3	-33.8	0	0	0	112.4	Q581	P577-Q581 WeakPolarHBondContact O-CB 3.46Å; P577-Q581 PolarHBondContact O-N 3.31Å
578	E	78.5	Confident	78.2	Confident	136 Å²	136	88.4 Å²	88.4	64%	0.636	42%	0.423	S	S	*	.	H	α-helix	trans	-65.6	-39.6	171.8	-63.1	77.1	-170.6	0	0	112.2	T576 F582	T576-E578 PolarHBondContact O-N 3.09Å; E578-F582 VanDerWaalsContact O-CB 3.27Å; E578-F582 WeakPolarHBondContact O-CB 3.22Å; E578-F582 PolarHBondContact O-N 2.97Å
579	F	80.4	Confident	78.6	Confident	30 Å²	30	86.8 Å²	86.8	13%	0.132	41%	0.41	C	S	.	.	H	α-helix	trans	-69.7	-45.4	174.4	177.8	-99	0	0	0	111.2	L561 I573 R574 T576 Q581 F582 H583	L561-F579 HydrophobicContact CB-CE2 4.15Å; L561-F579 HydrophobicContact CB-CZ 3.96Å; L561-F579 HydrophobicContact CD1-CD2 4.41Å; L561-F579 HydrophobicContact CD1-CE2 3.77Å; L561-F579 HydrophobicContact CD1-CZ 4.4Å; L561-F579 HydrophobicContact CD2-CE2 4.49Å; L561-F579 HydrophobicContact CG-CE2 4.36Å; I573-F579 HydrophobicContact CG2-CB 4.48Å; I573-F579 HydrophobicContact CG2-CD2 4.24Å; I573-F579 HydrophobicContact CG2-CG 4.32Å; I573-F579 WeakPolarHBondContact O-CB 3.46Å; R574-F579 HydrophobicContact CG-CE1 4.21Å; T576-F579 PolarHBondContact O-N 3.49Å; T576-F579 WeakPolarHBondContact OG1-CB 3.39Å; T576-F579 PolarHBondContact OG1-N 2.82Å; F579-Q581 PolarHBondContact O-N 3.14Å; F579-F582 PolarHBondContact O-N 3.06Å; F579-H583 HydrophobicContact CE1-CB 4.3Å; F579-H583 HydrophobicContact CZ-CB 4.38Å; F579-H583 AromaticContact CZ-ND1 3.8Å; F579-H583 VanDerWaalsContact O-CB 3.24Å; F579-H583 WeakPolarHBondContact O-CB 3.4Å; F579-H583 PolarHBondContact O-N 3.11Å
580	E	75.4	Confident	78.5	Confident	116 Å²	116	84.7 Å²	84.7	54%	0.542	41%	0.405	S	S	.	.	H	α-helix	trans	-59.7	-46.9	178.8	-171.9	177.3	-152.4	0	0	111.5	T576 F582 H583 Y584	T576-E580 PolarHBondContact O-N 3.18Å; T576-E580 VanDerWaalsContact O-N 3.08Å; E580-F582 PolarHBondContact O-N 2.92Å; E580-H583 PolarHBondContact O-N 3.03Å; E580-Y584 HydrophobicContact CG-CD2 3.89Å; E580-Y584 HydrophobicContact CG-CE2 3.99Å; E580-Y584 WeakPolarHBondContact O-CD2 3.41Å; E580-Y584 PolarHBondContact O-N 3.47Å; E580-Y584 VanDerWaalsContact O-N 3.08Å
581	Q	80.8	Confident	78.6	Confident	123 Å²	123	89.7 Å²	89.7	58%	0.575	42%	0.422	S	S	*	.	H	α-helix	trans	-60.6	-47.1	174.4	-175.2	-178	-10	0	0	111.4	P577 F579 H583 E585	P577-Q581 WeakPolarHBondContact O-CB 3.46Å; P577-Q581 PolarHBondContact O-N 3.31Å; F579-Q581 PolarHBondContact O-N 3.14Å; Q581-H583 VanDerWaalsContact C-N 3.32Å; Q581-H583 PolarHBondContact O-N 2.79Å; Q581-E585 PolarHBondContact NE2-OE2 2.86Å; Q581-E585 WeakPolarHBondContact O-CB 3.47Å; Q581-E585 PolarHBondContact O-N 3.17Å
582	F	81.3	Confident	78.8	Confident	96 Å²	96	94.8 Å²	94.8	42%	0.421	44%	0.438	S	S	.	.	H	α-helix	trans	-60.9	-42	179.2	175.9	-97	0	0	0	112.2	L558 E578 F579 E580 Y586 Y587	L558-F582 HydrophobicContact CD2-CE1 4.01Å; E578-F582 VanDerWaalsContact O-CB 3.27Å; E578-F582 WeakPolarHBondContact O-CB 3.22Å; E578-F582 PolarHBondContact O-N 2.97Å; F579-F582 PolarHBondContact O-N 3.06Å; E580-F582 PolarHBondContact O-N 2.92Å; F582-Y586 HydrophobicContact CD2-CD2 4.21Å; F582-Y586 HydrophobicContact CD2-CG 4.46Å; F582-Y586 PolarHBondContact O-N 3.15Å; F582-Y586 VanDerWaalsContact O-N 3.08Å; F582-Y587 PolarHBondContact O-N 2.77Å; F582-Y587 VanDerWaalsContact O-N 3.11Å
583	H	78.6	Confident	78.9	Confident	37 Å²	37	96 Å²	96	17%	0.171	44%	0.437	C	S	.	.	I	π-helix	trans	-62.4	-53.1	-178	-168.8	86.8	0	0	0	110.7	E562 F579 E580 Q581 Y587 C588	E562-H583 IonicContact OE1-CE1 2.7Å; F579-H583 HydrophobicContact CE1-CB 4.3Å; F579-H583 HydrophobicContact CZ-CB 4.38Å; F579-H583 AromaticContact CZ-ND1 3.8Å; F579-H583 VanDerWaalsContact O-CB 3.24Å; F579-H583 WeakPolarHBondContact O-CB 3.4Å; F579-H583 PolarHBondContact O-N 3.11Å; E580-H583 PolarHBondContact O-N 3.03Å; Q581-H583 VanDerWaalsContact C-N 3.32Å; Q581-H583 PolarHBondContact O-N 2.79Å; H583-Y587 AromaticContact CE1-CD1 3.66Å; H583-Y587 AromaticContact ND1-CD1 3.69Å; H583-Y587 WeakPolarHBondContact O-CB 3.46Å; H583-Y587 PolarHBondContact O-N 2.78Å; H583-C588 PolarHBondContact CD2-SG 3.08Å; H583-C588 PolarHBondContact NE2-SG 3.45Å; H583-C588 VanDerWaalsContact NE2-SG 3.42Å; H583-C588 PolarHBondContact O-N 3.14Å; H583-C588 PolarHBondContact O-SG 3.31Å
584	Y	79.1	Confident	78.9	Confident	160 Å²	160	97.4 Å²	97.4	63%	0.627	45%	0.445	S	S	*	.	I	π-helix	trans	-74.3	-41.1	-179.3	-78	-70	0	0	0	114.4	E580 P589	E580-Y584 HydrophobicContact CG-CD2 3.89Å; E580-Y584 HydrophobicContact CG-CE2 3.99Å; E580-Y584 WeakPolarHBondContact O-CD2 3.41Å; E580-Y584 PolarHBondContact O-N 3.47Å; E580-Y584 VanDerWaalsContact O-N 3.08Å; Y584-P589 WeakPolarHBondContact O-CD 3.45Å
585	E	80	Confident	79	Confident	99 Å²	99	99 Å²	99	46%	0.463	46%	0.458	S	S	.	.	I	π-helix	trans	-79.5	-30.5	-173.5	-167.8	-177.1	177.2	0	0	112.7	Q581	Q581-E585 PolarHBondContact NE2-OE2 2.86Å; Q581-E585 WeakPolarHBondContact O-CB 3.47Å; Q581-E585 PolarHBondContact O-N 3.17Å
586	Y	77	Confident	78.9	Confident	128 Å²	128	95.7 Å²	95.7	50%	0.502	45%	0.449	S	S	.	.	I	π-helix	trans	-123.7	-46	-173.1	-59	-87.1	0	0	0	114	F582 L590	F582-Y586 HydrophobicContact CD2-CD2 4.21Å; F582-Y586 HydrophobicContact CD2-CG 4.46Å; F582-Y586 PolarHBondContact O-N 3.15Å; F582-Y586 VanDerWaalsContact O-N 3.08Å; Y586-L590 VanDerWaalsContact O-CB 3.28Å; Y586-L590 WeakPolarHBondContact O-CB 3.41Å; Y586-L590 PolarHBondContact O-N 3.29Å
587	Y	79.3	Confident	78.6	Confident	29 Å²	29	98.3 Å²	98.3	11%	0.114	46%	0.456	C	S	.	.	I	π-helix	trans	-76	-51.3	-171.6	-178.4	-99.3	0	0	0	113.6	L558 E562 F582 H583 L590 R591	L558-Y587 HydrophobicContact CB-CD2 4.48Å; L558-Y587 HydrophobicContact CB-CE2 3.8Å; L558-Y587 HydrophobicContact CD1-CD2 3.86Å; L558-Y587 HydrophobicContact CD1-CE2 3.75Å; L558-Y587 HydrophobicContact CD2-CD2 4.09Å; L558-Y587 HydrophobicContact CD2-CE2 4.24Å; L558-Y587 HydrophobicContact CG-CD2 4.37Å; L558-Y587 HydrophobicContact CG-CE2 4.14Å; E562-Y587 HydrophobicContact CG-CE1 4.07Å; E562-Y587 WeakPolarHBondContact OE1-CE1 3.19Å; E562-Y587 PolarHBondContact OE2-OH 2.92Å; F582-Y587 PolarHBondContact O-N 2.77Å; F582-Y587 VanDerWaalsContact O-N 3.11Å; H583-Y587 AromaticContact CE1-CD1 3.66Å; H583-Y587 AromaticContact ND1-CD1 3.69Å; H583-Y587 WeakPolarHBondContact O-CB 3.46Å; H583-Y587 PolarHBondContact O-N 2.78Å; Y587-L590 WeakPolarHBondContact O-CB 3.49Å; Y587-L590 PolarHBondContact O-N 3.09Å; Y587-L590 VanDerWaalsContact O-N 3.07Å; Y587-R591 HydrophobicContact CE1-CB 4.4Å; Y587-R591 PolarHBondContact O-N 3.37Å
588	C	78.4	Confident	78.8	Confident	45 Å²	45	98.5 Å²	98.5	30%	0.304	45%	0.452	S	S	.	.	H	α-helix	trans	-58.4	-42.8	178.9	-58.8	0	0	0	0	113.1	H583 L590 R592	H583-C588 PolarHBondContact CD2-SG 3.08Å; H583-C588 PolarHBondContact NE2-SG 3.45Å; H583-C588 VanDerWaalsContact NE2-SG 3.42Å; H583-C588 PolarHBondContact O-N 3.14Å; H583-C588 PolarHBondContact O-SG 3.31Å; C588-L590 PolarHBondContact O-N 2.86Å; C588-R592 WeakPolarHBondContact O-CB 3.4Å; C588-R592 PolarHBondContact O-N 2.93Å
589	P	80.9	Confident	78.7	Confident	69 Å²	69	94.8 Å²	94.8	45%	0.448	44%	0.441	S	S	.	.	H	α-helix	trans	-60.8	-40.6	172.1	-25.3	35.9	0	0	0	113.3	Y584 W593	Y584-P589 WeakPolarHBondContact O-CD 3.45Å; P589-W593 WeakPolarHBondContact O-CB 3.21Å; P589-W593 PolarHBondContact O-N 3.45Å
590	L	76.4	Confident	78.4	Confident	89 Å²	89	98.2 Å²	98.2	47%	0.466	46%	0.458	S	S	.	.	H	α-helix	trans	-67.1	-46.6	178.2	179.7	62.8	0	0	0	111.7	Y586 Y587 C588 R592 W593 I594	Y586-L590 VanDerWaalsContact O-CB 3.28Å; Y586-L590 WeakPolarHBondContact O-CB 3.41Å; Y586-L590 PolarHBondContact O-N 3.29Å; Y587-L590 WeakPolarHBondContact O-CB 3.49Å; Y587-L590 PolarHBondContact O-N 3.09Å; Y587-L590 VanDerWaalsContact O-N 3.07Å; C588-L590 PolarHBondContact O-N 2.86Å; L590-R592 VanDerWaalsContact C-N 3.32Å; L590-R592 PolarHBondContact O-N 2.77Å; L590-W593 HydrophobicContact CD1-CE3 4.45Å; L590-W593 PolarHBondContact O-N 2.83Å; L590-I594 HydrophobicContact CD1-CD1 4.02Å; L590-I594 HydrophobicContact CD1-CG1 4.22Å; L590-I594 HydrophobicContact CG-CD1 3.9Å; L590-I594 HydrophobicContact CG-CG1 4.47Å; L590-I594 VanDerWaalsContact O-CG1 3.32Å; L590-I594 WeakPolarHBondContact O-CG1 3.27Å; L590-I594 PolarHBondContact O-N 2.82Å
591	R	78.6	Confident	78.4	Confident	120 Å²	120	95.1 Å²	95.1	45%	0.453	45%	0.453	S	S	.	.	H	α-helix	trans	-56.2	-46.3	175.2	-177.4	176.8	173.1	-152.2	-2.4	110.7	E562 Y587 I594 L595	E562-R591 VanDerWaalsContact CD-NH1 3.33Å; E562-R591 IonicContact OE1-CZ 3.31Å; E562-R591 IonicContact OE1-NE 2.64Å; E562-R591 IonicContact OE1-NH1 3.8Å; E562-R591 PolarHBondContact OE1-NH1 3.21Å; E562-R591 IonicContact OE2-CZ 3.91Å; E562-R591 IonicContact OE2-NE 3.36Å; E562-R591 IonicContact OE2-NH1 3.96Å; E562-R591 PolarHBondContact OE2-NH1 3.37Å; E562-R591 IonicContact OE2-NH2 3.14Å; Y587-R591 HydrophobicContact CE1-CB 4.4Å; Y587-R591 PolarHBondContact O-N 3.37Å; R591-I594 PolarHBondContact O-N 2.9Å; R591-L595 HydrophobicContact CG-CD1 4.18Å; R591-L595 WeakPolarHBondContact O-CG 3.44Å; R591-L595 PolarHBondContact O-N 3Å
592	R	80.1	Confident	78.1	Confident	192 Å²	192	94.3 Å²	94.3	73%	0.725	45%	0.451	S	S	*	.	H	α-helix	trans	-64.6	-40.3	177.2	-166.6	172.9	-173.7	165.3	3.1	112.6	C588 L590 C596	C588-R592 WeakPolarHBondContact O-CB 3.4Å; C588-R592 PolarHBondContact O-N 2.93Å; L590-R592 VanDerWaalsContact C-N 3.32Å; L590-R592 PolarHBondContact O-N 2.77Å; R592-C596 PolarHBondContact O-N 3.47Å; R592-C596 PolarHBondContact O-SG 3.12Å
593	W	81.6	Confident	77.8	Confident	157 Å²	157	94.5 Å²	94.5	60%	0.595	45%	0.453	S	S	*	.	H	α-helix	trans	-66.3	-42	176.2	-178.1	88	0	0	0	112.5	P589 L590 C596 K597	P589-W593 WeakPolarHBondContact O-CB 3.21Å; P589-W593 PolarHBondContact O-N 3.45Å; L590-W593 HydrophobicContact CD1-CE3 4.45Å; L590-W593 PolarHBondContact O-N 2.83Å; W593-C596 PolarHBondContact O-N 3.2Å; W593-K597 HydrophobicContact CD2-CG 4.23Å; W593-K597 HydrophobicContact CE3-CG 4.42Å; W593-K597 HydrophobicContact CH2-CG 4.16Å; W593-K597 HydrophobicContact CZ2-CG 3.95Å; W593-K597 HydrophobicContact CZ3-CG 4.38Å; W593-K597 WeakPolarHBondContact O-CB 3.34Å; W593-K597 PolarHBondContact O-N 3.32Å
594	I	77.8	Confident	77.4	Confident	75 Å²	75	98.5 Å²	98.5	39%	0.385	48%	0.475	S	S	.	.	H	α-helix	trans	-61.9	-47.2	175.3	-69.9	171.1	0	0	0	110.2	L590 R591 C596 K597 I598	L590-I594 HydrophobicContact CD1-CD1 4.02Å; L590-I594 HydrophobicContact CD1-CG1 4.22Å; L590-I594 HydrophobicContact CG-CD1 3.9Å; L590-I594 HydrophobicContact CG-CG1 4.47Å; L590-I594 VanDerWaalsContact O-CG1 3.32Å; L590-I594 WeakPolarHBondContact O-CG1 3.27Å; L590-I594 PolarHBondContact O-N 2.82Å; R591-I594 PolarHBondContact O-N 2.9Å; I594-C596 PolarHBondContact O-N 3.42Å; I594-K597 CarbonylContact O-C 3.55Å; I594-K597 WeakPolarHBondContact O-CA 3.21Å; I594-K597 PolarHBondContact O-N 2.98Å; I594-I598 HydrophobicContact CG2-CD1 3.71Å; I594-I598 HydrophobicContact CG2-CG1 4.34Å; I594-I598 WeakPolarHBondContact O-CG1 3.49Å; I594-I598 PolarHBondContact O-N 2.99Å
595	L	79.9	Confident	76.9	Confident	100 Å²	100	97.5 Å²	97.5	52%	0.524	48%	0.48	S	S	.	.	H	α-helix	trans	-61.6	-44.4	178.6	-72.1	169.6	0	0	0	112.2	R591 K597 I598 S599	R591-L595 HydrophobicContact CG-CD1 4.18Å; R591-L595 WeakPolarHBondContact O-CG 3.44Å; R591-L595 PolarHBondContact O-N 3Å; L595-K597 VanDerWaalsContact C-N 3.27Å; L595-K597 PolarHBondContact O-N 3.33Å; L595-I598 PolarHBondContact O-N 3.44Å; L595-S599 WeakPolarHBondContact O-CB 3.39Å; L595-S599 PolarHBondContact O-N 3.32Å
596	C	74.9	Confident	76	Confident	73 Å²	73	103 Å²	103	49%	0.493	50%	0.497	S	S	.	.	H	α-helix	trans	-61.3	-34.7	172.3	-72.7	0	0	0	0	112.7	R592 W593 I594 M600	R592-C596 PolarHBondContact O-N 3.47Å; R592-C596 PolarHBondContact O-SG 3.12Å; W593-C596 PolarHBondContact O-N 3.2Å; I594-C596 PolarHBondContact O-N 3.42Å; C596-M600 WeakPolarHBondContact O-CB 3.3Å; C596-M600 WeakPolarHBondContact O-CG 3.43Å; C596-M600 PolarHBondContact O-N 3.07Å
597	K	77.4	Confident	74.9	Confident	107 Å²	107	101.5 Å²	101.5	47%	0.465	51%	0.505	S	S	.	.	H	α-helix	trans	-73.6	-33.5	176.8	-82.7	-63.5	-175.8	-168.4	0	113.8	W593 I594 L595 A601	W593-K597 HydrophobicContact CD2-CG 4.23Å; W593-K597 HydrophobicContact CE3-CG 4.42Å; W593-K597 HydrophobicContact CH2-CG 4.16Å; W593-K597 HydrophobicContact CZ2-CG 3.95Å; W593-K597 HydrophobicContact CZ3-CG 4.38Å; W593-K597 WeakPolarHBondContact O-CB 3.34Å; W593-K597 PolarHBondContact O-N 3.32Å; I594-K597 CarbonylContact O-C 3.55Å; I594-K597 WeakPolarHBondContact O-CA 3.21Å; I594-K597 PolarHBondContact O-N 2.98Å; L595-K597 VanDerWaalsContact C-N 3.27Å; L595-K597 PolarHBondContact O-N 3.33Å; K597-A601 VanDerWaalsContact O-CB 3.32Å; K597-A601 WeakPolarHBondContact O-CB 3.46Å; K597-A601 PolarHBondContact O-N 3.38Å
598	I	79.1	Confident	73.3	Confident	87 Å²	87	110.4 Å²	110.4	45%	0.446	56%	0.555	S	S	.	*	H	α-helix	trans	-70.8	-43.4	172.9	-67.3	170.3	0	0	0	109.9	I594 L595 M600 A601 M602	I594-I598 HydrophobicContact CG2-CD1 3.71Å; I594-I598 HydrophobicContact CG2-CG1 4.34Å; I594-I598 WeakPolarHBondContact O-CG1 3.49Å; I594-I598 PolarHBondContact O-N 2.99Å; L595-I598 PolarHBondContact O-N 3.44Å; I598-M600 PolarHBondContact O-N 2.79Å; I598-A601 PolarHBondContact O-N 3.3Å; I598-A601 VanDerWaalsContact O-N 3.09Å; I598-M602 HydrophobicContact CG2-CG 4.3Å; I598-M602 HydrophobicContact CG2-SD 3.84Å; I598-M602 WeakPolarHBondContact O-CG 3.21Å; I598-M602 PolarHBondContact O-N 2.84Å
599	S	76.3	Confident	73.1	Confident	58 Å²	58	113.7 Å²	113.7	41%	0.406	57%	0.567	S	S	.	*	H	α-helix	trans	-54.2	-55.7	173.7	-158.5	0	0	0	0	110.8	L595 A601 M602 E603	L595-S599 WeakPolarHBondContact O-CB 3.39Å; L595-S599 PolarHBondContact O-N 3.32Å; S599-A601 VanDerWaalsContact C-N 3.26Å; S599-A601 PolarHBondContact O-N 3.43Å; S599-M602 PolarHBondContact O-N 3.26Å; S599-M602 VanDerWaalsContact O-N 3.08Å; S599-E603 VanDerWaalsContact C-OE1 3.25Å; S599-E603 WeakPolarHBondContact CB-OE1 3.42Å; S599-E603 WeakPolarHBondContact O-CB 3.39Å; S599-E603 VanDerWaalsContact O-CD 3.31Å; S599-E603 VanDerWaalsContact O-CG 3.27Å; S599-E603 WeakPolarHBondContact O-CG 3.45Å; S599-E603 PolarHBondContact O-N 3.44Å; S599-E603 PolarHBondContact OG-OE1 2.95Å
600	M	74.6	Confident	72.6	Confident	102 Å²	102	116.1 Å²	116.1	50%	0.502	57%	0.574	S	S	.	*	H	α-helix	trans	-57.9	-35.6	176.1	-75.7	-179.7	163	0	0	113.1	C596 I598 N604	C596-M600 WeakPolarHBondContact O-CB 3.3Å; C596-M600 WeakPolarHBondContact O-CG 3.43Å; C596-M600 PolarHBondContact O-N 3.07Å; I598-M600 PolarHBondContact O-N 2.79Å; M600-N604 PolarHBondContact O-N 2.95Å; M600-N604 PolarHBondContact O-ND2 3.05Å
601	A	75.5	Confident	72.4	Confident	52 Å²	52	117.6 Å²	117.6	43%	0.43	58%	0.58	S	S	.	*	H	α-helix	trans	-71.7	-37.2	177.3	0	0	0	0	0	112.5	K597 I598 S599 L605	K597-A601 VanDerWaalsContact O-CB 3.32Å; K597-A601 WeakPolarHBondContact O-CB 3.46Å; K597-A601 PolarHBondContact O-N 3.38Å; I598-A601 PolarHBondContact O-N 3.3Å; I598-A601 VanDerWaalsContact O-N 3.09Å; S599-A601 VanDerWaalsContact C-N 3.26Å; S599-A601 PolarHBondContact O-N 3.43Å; A601-L605 WeakPolarHBondContact O-CD1 3.43Å; A601-L605 PolarHBondContact O-N 3.27Å
602	M	73.1	Confident	72.1	Confident	106 Å²	106	117.4 Å²	117.4	52%	0.522	59%	0.587	S	S	.	*	H	α-helix	trans	-72.8	-40.5	176.6	-71.1	178.8	63.1	0	0	112	I598 S599 N604 L605 W606	I598-M602 HydrophobicContact CG2-CG 4.3Å; I598-M602 HydrophobicContact CG2-SD 3.84Å; I598-M602 WeakPolarHBondContact O-CG 3.21Å; I598-M602 PolarHBondContact O-N 2.84Å; S599-M602 PolarHBondContact O-N 3.26Å; S599-M602 VanDerWaalsContact O-N 3.08Å; M602-N604 VanDerWaalsContact C-N 3.31Å; M602-N604 PolarHBondContact O-N 3.5Å; M602-L605 CarbonylContact O-C 3.53Å; M602-L605 WeakPolarHBondContact O-CA 3.18Å; M602-L605 PolarHBondContact O-N 3.03Å; M602-W606 VanDerWaalsContact O-CD1 3.29Å; M602-W606 PolarHBondContact O-N 3.43Å
603	E	75.8	Confident	71.6	Confident	99 Å²	99	112.8 Å²	112.8	46%	0.463	58%	0.578	S	S	.	*	H	α-helix	trans	-55.5	-45.6	172.5	-72.6	153	-144.5	0	0	111	S599 L605 W606 S607	S599-E603 VanDerWaalsContact C-OE1 3.25Å; S599-E603 WeakPolarHBondContact CB-OE1 3.42Å; S599-E603 WeakPolarHBondContact O-CB 3.39Å; S599-E603 VanDerWaalsContact O-CD 3.31Å; S599-E603 VanDerWaalsContact O-CG 3.27Å; S599-E603 WeakPolarHBondContact O-CG 3.45Å; S599-E603 PolarHBondContact O-N 3.44Å; S599-E603 PolarHBondContact OG-OE1 2.95Å; E603-L605 VanDerWaalsContact C-N 3.26Å; E603-L605 PolarHBondContact O-N 3.21Å; E603-W606 PolarHBondContact O-N 2.85Å; E603-S607 WeakPolarHBondContact O-CB 3.07Å; E603-S607 PolarHBondContact O-N 2.67Å; E603-S607 PolarHBondContact O-OG 2.73Å
604	N	70	Confident	70.9	Confident	122 Å²	122	109.8 Å²	109.8	65%	0.652	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	-9.2	174.8	-74.8	-77.3	0	0	0	114.3	M600 M602	M600-N604 PolarHBondContact O-N 2.95Å; M600-N604 PolarHBondContact O-ND2 3.05Å; M602-N604 VanDerWaalsContact C-N 3.31Å; M602-N604 PolarHBondContact O-N 3.5Å
605	L	68.8	Low	70.4	Confident	138 Å²	138	112.3 Å²	112.3	72%	0.723	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.4	-6	173.4	-107.8	94.6	0	0	0	113.4	A601 M602 E603	A601-L605 WeakPolarHBondContact O-CD1 3.43Å; A601-L605 PolarHBondContact O-N 3.27Å; M602-L605 CarbonylContact O-C 3.53Å; M602-L605 WeakPolarHBondContact O-CA 3.18Å; M602-L605 PolarHBondContact O-N 3.03Å; E603-L605 VanDerWaalsContact C-N 3.26Å; E603-L605 PolarHBondContact O-N 3.21Å
606	W	60.8	Low	69.7	Low	214 Å²	214	113.2 Å²	113.2	81%	0.811	60%	0.596	S	S	*	*	S	Bend	trans	-121.3	18.2	-179.5	-74.9	56	0	0	0	111.4	M602 E603	M602-W606 VanDerWaalsContact O-CD1 3.29Å; M602-W606 PolarHBondContact O-N 3.43Å; E603-W606 PolarHBondContact O-N 2.85Å
607	S	54.6	Low	69.3	Low	97 Å²	97	116.6 Å²	116.6	68%	0.678	61%	0.605	S	S	*	*			trans	-114.1	5.3	178.5	-61.3	0	0	0	0	113.2	E603	E603-S607 WeakPolarHBondContact O-CB 3.07Å; E603-S607 PolarHBondContact O-N 2.67Å; E603-S607 PolarHBondContact O-OG 2.73Å
608	D	45.1	Very low	68.5	Low	217 Å²	217	117.5 Å²	117.5	100%	1.16	62%	0.618	S	S	*	*			trans	-112.2	0	165.9	-75.5	-32.6	0	0	0	108.7

Retrieved 608 of 608 residues in 250.1 ms (Link to these results)

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