A0A077ZBB6_TRITR Loading...

Newborn larvae specific serine protease SS2 1

AlphaFold DB , UniProt , Accession A0A077ZBB6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 254 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	62.2	Low	84.7	Confident	148 Å²	148	65.1 Å²	65.1	73%	0.729	36%	0.364	S	S	*	.				0	154	0	-84.9	177.9	142	0	0	108.8	Y32 T34 A48 L253	M1-Y32 HydrophobicContact CB-CE1 4.48Å; M1-Y32 HydrophobicContact CB-CE2 4.09Å; M1-Y32 WeakPolarHBondContact CB-OH 3.46Å; M1-Y32 HydrophobicContact SD-CD2 3.94Å; M1-Y32 HydrophobicContact SD-CE2 3.68Å; M1-T34 HydrophobicContact SD-CG2 4.49Å; M1-A48 HydrophobicContact CE-CB 4.25Å; M1-L253 HydrophobicContact CE-CD2 4.49Å
2	A	73.7	Confident	85.3	Confident	50 Å²	50	60.8 Å²	60.8	41%	0.413	34%	0.344	S	S	.	.			trans	-65.6	165	176.3	0	0	0	0	0	111.9	V6 L7 Y32	A2-V6 HydrophobicContact CB-CG2 3.74Å; A2-L7 HydrophobicContact CB-CD2 4.14Å; A2-L7 HydrophobicContact CB-CG 4.32Å; A2-Y32 VanDerWaalsContact O-CE1 3.31Å; A2-Y32 WeakPolarHBondContact O-CE1 3.46Å; A2-Y32 PolarHBondContact O-OH 3.06Å
3	S	80.9	Confident	85.9	Confident	62 Å²	62	57.2 Å²	57.2	43%	0.434	33%	0.327	S	S	.	.			trans	-61.3	140.5	170.9	177.5	0	0	0	0	109.9	E5 V6	S3-E5 PolarHBondContact O-N 3.47Å; S3-V6 WeakPolarHBondContact O-CG2 3.34Å; S3-V6 PolarHBondContact O-N 3.27Å
4	P	80.9	Confident	86.4	Confident	31 Å²	31	57.3 Å²	57.3	20%	0.201	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-53.7	-27.6	176.4	-23.7	31.5	0	0	0	113.9	V6 L7 L29 Y32	P4-V6 PolarHBondContact O-N 3.48Å; P4-L7 PolarHBondContact O-N 3.24Å; P4-L7 VanDerWaalsContact O-N 3.17Å; P4-L29 HydrophobicContact CB-CB 4.43Å; P4-Y32 HydrophobicContact CB-CD1 4.36Å; P4-Y32 HydrophobicContact CG-CD1 3.84Å; P4-Y32 HydrophobicContact CG-CE1 3.71Å
5	E	82.9	Confident	86.8	Confident	158 Å²	158	60.3 Å²	60.3	74%	0.738	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-67	-23.5	-176.1	-60.7	-179.4	170.4	0	0	113.9	S3	S3-E5 PolarHBondContact O-N 3.47Å
6	V	86	Confident	86.9	Confident	107 Å²	107	60.6 Å²	60.6	65%	0.648	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-99.3	-1.9	177.2	-58.6	0	0	0	0	112.7	A2 S3 P4	A2-V6 HydrophobicContact CB-CG2 3.74Å; S3-V6 WeakPolarHBondContact O-CG2 3.34Å; S3-V6 PolarHBondContact O-N 3.27Å; P4-V6 PolarHBondContact O-N 3.48Å
7	L	90.2	Very high	86.8	Confident	26 Å²	26	60.8 Å²	60.8	14%	0.136	34%	0.342	C	S	.	.			trans	-97.2	134.4	-177.9	-65.9	177.6	0	0	0	111.3	A2 P4 L29 Y32	A2-L7 HydrophobicContact CB-CD2 4.14Å; A2-L7 HydrophobicContact CB-CG 4.32Å; P4-L7 PolarHBondContact O-N 3.24Å; P4-L7 VanDerWaalsContact O-N 3.17Å; L7-L29 HydrophobicContact CB-CB 4.28Å; L7-L29 HydrophobicContact CB-CD1 4.19Å; L7-L29 HydrophobicContact CB-CD2 3.85Å; L7-L29 HydrophobicContact CB-CG 4.33Å; L7-L29 HydrophobicContact CD1-CD2 4.02Å; L7-L29 PolarHBondContact O-N 3.39Å; L7-Y32 HydrophobicContact CD1-CD1 4.11Å; L7-Y32 HydrophobicContact CD1-CE1 4.21Å
8	M	92.3	Very high	86.9	Confident	101 Å²	101	61.7 Å²	61.7	50%	0.498	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	147.4	178.4	-64.5	-71.4	-163.8	0	0	109.6	T26 P28	M8-T26 HydrophobicContact CB-CG2 3.74Å; M8-T26 HydrophobicContact CG-CG2 4.13Å; M8-T26 HydrophobicContact SD-CG2 4.26Å; M8-P28 HydrophobicContact CE-CB 4.2Å; M8-P28 WeakPolarHBondContact SD-CA 3.25Å; M8-P28 HydrophobicContact SD-CB 3.57Å; M8-P28 VanDerWaalsContact SD-CB 3.57Å; M8-P28 HydrophobicContact SD-CG 4.31Å
9	V	93.7	Very high	86.9	Confident	6 Å²	6	70.7 Å²	70.7	4%	0.036	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	123.6	168.8	166.3	0	0	0	0	108.6	V11 T26 I27 L29 L50 L52 V251	V9-V11 HydrophobicContact CG1-CG1 4.07Å; V9-T26 WeakPolarHBondContact O-CA 3.43Å; V9-I27 PolarHBondContact N-O 2.92Å; V9-I27 PolarHBondContact O-N 3.42Å; V9-L29 HydrophobicContact CB-CD1 4.35Å; V9-L29 HydrophobicContact CG2-CD1 3.55Å; V9-L50 HydrophobicContact CG2-CD1 3.79Å; V9-L52 HydrophobicContact CB-CD2 3.73Å; V9-L52 HydrophobicContact CG1-CD2 4.33Å; V9-L52 HydrophobicContact CG2-CD2 3.85Å; V9-V251 HydrophobicContact CG2-CG1 4.46Å
10	T	94.1	Very high	87	Confident	20 Å²	20	72.4 Å²	72.4	12%	0.123	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	131.8	171.4	-58.1	0	0	0	0	109.6	A13 E24 R25 T26	T10-A13 HydrophobicContact CG2-CB 3.86Å; T10-E24 HydrophobicContact CG2-CG 3.37Å; T10-E24 VanDerWaalsContact CG2-OE1 3.29Å; T10-E24 WeakPolarHBondContact CG2-OE1 3.35Å; T10-R25 WeakPolarHBondContact CA-O 3.25Å; T10-T26 PolarHBondContact OG1-OG1 3.48Å
11	V	94.4	Very high	87.2	Confident	7 Å²	7	71.4 Å²	71.4	4%	0.042	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	152	172.9	-62.2	0	0	0	0	110.2	V9 A13 E24 R25 I56 V62 P250	V9-V11 HydrophobicContact CG1-CG1 4.07Å; V11-A13 VanDerWaalsContact C-N 3.27Å; V11-A13 PolarHBondContact O-N 3.49Å; V11-E24 CarbonylContact O-C 3.55Å; V11-E24 VanDerWaalsContact O-CA 3.31Å; V11-E24 WeakPolarHBondContact O-CA 3.48Å; V11-R25 HydrophobicContact CG2-CB 4.01Å; V11-R25 PolarHBondContact N-O 2.91Å; V11-R25 PolarHBondContact O-N 3.2Å; V11-I56 HydrophobicContact CG1-CD1 3.83Å; V11-I56 HydrophobicContact CG2-CG1 4.44Å; V11-I56 HydrophobicContact CG2-CG2 4.28Å; V11-V62 HydrophobicContact CB-CG1 3.98Å; V11-V62 HydrophobicContact CB-CG2 4.3Å; V11-V62 HydrophobicContact CG2-CG1 3.9Å; V11-V62 HydrophobicContact CG2-CG2 4.14Å; V11-P250 HydrophobicContact CG1-CB 4.39Å; V11-P250 HydrophobicContact CG1-CG 4.33Å
12	G	92.7	Very high	88.5	Confident	13 Å²	13	71 Å²	71	13%	0.134	40%	0.4	C	S	.	.	S	Bend	trans	76.9	9.7	-180	0	0	0	0	0	114.7
13	A	92.7	Very high	89.1	Confident	14 Å²	14	71.2 Å²	71.2	12%	0.116	39%	0.393	C	S	.	.			trans	-83.7	132.7	173.6	0	0	0	0	0	110.6	T10 V11 E24 W85	T10-A13 HydrophobicContact CG2-CB 3.86Å; V11-A13 VanDerWaalsContact C-N 3.27Å; V11-A13 PolarHBondContact O-N 3.49Å; A13-E24 HydrophobicContact CB-CG 4.1Å; A13-W85 HydrophobicContact CB-CZ2 4.42Å; A13-W85 WeakPolarHBondContact O-CZ2 3.41Å
14	H	93.3	Very high	89.6	Confident	59 Å²	59	69.9 Å²	69.9	27%	0.273	38%	0.379	S	S	.	.	S	Bend	trans	-107.9	-37.1	161.8	-180	61.6	0	0	0	110.2	E21 W85 M112 L113	H14-E21 WeakPolarHBondContact CA-OE2 3.47Å; H14-E21 WeakPolarHBondContact CB-OE2 3.32Å; H14-E21 PolarHBondContact N-OE2 3.35Å; H14-W85 PolarHBondContact O-NE1 2.87Å; H14-M112 WeakPolarHBondContact NE2-CE 3.14Å; H14-M112 CarbonylContact O-C 3.54Å; H14-M112 WeakPolarHBondContact O-CA 3.16Å; H14-L113 PolarHBondContact O-N 3.17Å
15	K	92.2	Very high	90.2	Very high	103 Å²	103	75 Å²	75	45%	0.448	40%	0.395	S	S	.	.	B	Isolated β-bridge	trans	-105.8	139.7	175.5	-64.9	176.7	-175.3	172.5	0	111.5	E21 T111 M112	K15-E21 PolarHBondContact N-OE2 2.99Å; K15-T111 CarbonylContact C-O 3.56Å; K15-T111 WeakPolarHBondContact CA-O 3.39Å; K15-M112 HydrophobicContact CG-CG 4.31Å
16	T	87.8	Confident	90.7	Very high	64 Å²	64	71 Å²	71	39%	0.393	38%	0.381	S	S	.	.	S	Bend	trans	-103.9	-3.4	176.3	51.2	0	0	0	0	113.2	W85 S110 T111 F252	T16-W85 HydrophobicContact CG2-CB 4.42Å; T16-W85 VanDerWaalsContact CG2-CD1 3.48Å; T16-W85 HydrophobicContact CG2-CD2 3.87Å; T16-W85 HydrophobicContact CG2-CG 3.69Å; T16-W85 HydrophobicContact CG2-CZ2 4.5Å; T16-S110 PolarHBondContact OG1-O 3.39Å; T16-T111 PolarHBondContact N-O 2.86Å; T16-T111 WeakPolarHBondContact OG1-CA 3.29Å; T16-F252 HydrophobicContact CG2-CE2 4.13Å; T16-F252 HydrophobicContact CG2-CZ 4.07Å
17	S	85	Confident	91.1	Very high	64 Å²	64	66.6 Å²	66.6	45%	0.448	35%	0.354	S	S	.	.	S	Bend	trans	-124.6	150.6	179.1	70.5	0	0	0	0	111.6	T111	S17-T111 VanDerWaalsContact OG-CB 3.29Å; S17-T111 WeakPolarHBondContact OG-CB 3.22Å; S17-T111 WeakPolarHBondContact OG-CG2 3.4Å
18	G	88.4	Confident	91.2	Very high	77 Å²	77	66.9 Å²	66.9	79%	0.794	36%	0.357	S	S	*	.	S	Bend	trans	91.9	-153.4	-179.5	0	0	0	0	0	111.5
19	R	88.2	Confident	91.2	Very high	234 Å²	234	62.2 Å²	62.2	88%	0.883	33%	0.334	S	S	*	.	S	Bend	trans	-75.8	139.9	177.9	-66.7	-176.1	179.7	-179.7	0.4	109.7
20	P	88.8	Confident	91.1	Very high	103 Å²	103	65.9 Å²	65.9	67%	0.669	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-52.3	142.1	173.8	-27	34.8	0	0	0	112.1	E24	P20-E24 VanDerWaalsContact CA-OE2 3.25Å; P20-E24 WeakPolarHBondContact CA-OE2 3.5Å
21	E	90.6	Very high	91	Very high	53 Å²	53	67 Å²	67	25%	0.248	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-74.5	153	-179.5	-69.2	174.2	124.7	0	0	111.2	H14 K15 H23 E24	H14-E21 WeakPolarHBondContact CA-OE2 3.47Å; H14-E21 WeakPolarHBondContact CB-OE2 3.32Å; H14-E21 PolarHBondContact N-OE2 3.35Å; K15-E21 PolarHBondContact N-OE2 2.99Å; E21-H23 PolarHBondContact O-N 2.83Å; E21-H23 VanDerWaalsContact O-N 3.1Å; E21-E24 HydrophobicContact CB-CB 4.19Å; E21-E24 PolarHBondContact N-OE2 3.05Å; E21-E24 WeakPolarHBondContact O-CB 3.4Å; E21-E24 PolarHBondContact O-N 2.89Å
22	L	90.3	Very high	90.9	Very high	138 Å²	138	69.4 Å²	69.4	72%	0.723	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-35.9	-172.5	-179.3	62.7	0	0	0	113.1	R25	L22-R25 PolarHBondContact O-NH1 3.49Å; L22-R25 PolarHBondContact O-NH2 2.89Å
23	H	86.6	Confident	90.8	Very high	56 Å²	56	71.1 Å²	71.1	26%	0.259	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-4	-178.4	-50	-76.1	0	0	0	113	E21 E60 H61	E21-H23 PolarHBondContact O-N 2.83Å; E21-H23 VanDerWaalsContact O-N 3.1Å; H23-E60 IonicContact CE1-OE1 3.17Å; H23-H61 HydrophobicContact CB-CB 3.79Å; H23-H61 AromaticContact CD2-CD2 3.96Å; H23-H61 AromaticContact CD2-CE1 3.18Å; H23-H61 PolarHBondContact CD2-CE1 3.24Å; H23-H61 AromaticContact CD2-CG 3.77Å; H23-H61 AromaticContact CD2-ND1 3.26Å; H23-H61 PolarHBondContact CD2-ND1 3.49Å; H23-H61 VanDerWaalsContact CD2-ND1 3.26Å; H23-H61 AromaticContact CD2-NE2 3.61Å; H23-H61 AromaticContact CE1-CE1 3.64Å; H23-H61 AromaticContact CE1-ND1 3.69Å; H23-H61 AromaticContact CG-CE1 3.64Å; H23-H61 AromaticContact CG-CG 3.69Å; H23-H61 AromaticContact CG-ND1 3.19Å; H23-H61 AromaticContact ND1-CE1 3.9Å; H23-H61 AromaticContact ND1-ND1 3.49Å; H23-H61 PolarHBondContact ND1-ND1 3.31Å; H23-H61 AromaticContact NE2-CE1 3.24Å; H23-H61 PolarHBondContact NE2-CE1 2.66Å; H23-H61 AromaticContact NE2-ND1 3.62Å; H23-H61 AromaticContact NE2-NE2 3.94Å
24	E	91.1	Very high	90.7	Very high	34 Å²	34	73.3 Å²	73.3	16%	0.159	39%	0.387	C	S	.	.			trans	-70.3	133	179.3	-171.7	-175.6	153.1	0	0	110.9	T10 V11 A13 P20 E21	T10-E24 HydrophobicContact CG2-CG 3.37Å; T10-E24 VanDerWaalsContact CG2-OE1 3.29Å; T10-E24 WeakPolarHBondContact CG2-OE1 3.35Å; V11-E24 CarbonylContact O-C 3.55Å; V11-E24 VanDerWaalsContact O-CA 3.31Å; V11-E24 WeakPolarHBondContact O-CA 3.48Å; A13-E24 HydrophobicContact CB-CG 4.1Å; P20-E24 VanDerWaalsContact CA-OE2 3.25Å; P20-E24 WeakPolarHBondContact CA-OE2 3.5Å; E21-E24 HydrophobicContact CB-CB 4.19Å; E21-E24 PolarHBondContact N-OE2 3.05Å; E21-E24 WeakPolarHBondContact O-CB 3.4Å; E21-E24 PolarHBondContact O-N 2.89Å
25	R	92.1	Very high	90.4	Very high	138 Å²	138	71.8 Å²	71.8	52%	0.521	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	126.5	176.1	-61.8	-66.6	178.5	-93.8	-1.9	110.2	T10 V11 L22	T10-R25 WeakPolarHBondContact CA-O 3.25Å; V11-R25 HydrophobicContact CG2-CB 4.01Å; V11-R25 PolarHBondContact N-O 2.91Å; V11-R25 PolarHBondContact O-N 3.2Å; L22-R25 PolarHBondContact O-NH1 3.49Å; L22-R25 PolarHBondContact O-NH2 2.89Å
26	T	93.5	Very high	89.9	Confident	75 Å²	75	73.1 Å²	73.1	46%	0.46	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	125.8	176.7	-53.3	0	0	0	0	110.1	M8 V9 T10	M8-T26 HydrophobicContact CB-CG2 3.74Å; M8-T26 HydrophobicContact CG-CG2 4.13Å; M8-T26 HydrophobicContact SD-CG2 4.26Å; V9-T26 WeakPolarHBondContact O-CA 3.43Å; T10-T26 PolarHBondContact OG1-OG1 3.48Å
27	I	94	Very high	89.5	Confident	13 Å²	13	74.6 Å²	74.6	7%	0.067	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	129.2	-173.3	-54.8	175.8	0	0	0	109.8	V9 L52 K54 I56	V9-I27 PolarHBondContact N-O 2.92Å; V9-I27 PolarHBondContact O-N 3.42Å; I27-L52 HydrophobicContact CB-CD1 4.42Å; I27-L52 HydrophobicContact CD1-CD1 4.3Å; I27-L52 HydrophobicContact CG2-CB 3.91Å; I27-L52 HydrophobicContact CG2-CD1 4.37Å; I27-K54 HydrophobicContact CG2-CB 3.8Å; I27-K54 HydrophobicContact CG2-CG 4.35Å; I27-I56 HydrophobicContact CD1-CG1 3.62Å
28	P	94.2	Very high	88.9	Confident	33 Å²	33	72.7 Å²	72.7	21%	0.214	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	146.9	176.2	23.6	-31	0	0	0	112.6	M8 K53	M8-P28 HydrophobicContact CE-CB 4.2Å; M8-P28 WeakPolarHBondContact SD-CA 3.25Å; M8-P28 HydrophobicContact SD-CB 3.57Å; M8-P28 VanDerWaalsContact SD-CB 3.57Å; M8-P28 HydrophobicContact SD-CG 4.31Å; P28-K53 HydrophobicContact CB-CD 4.04Å; P28-K53 HydrophobicContact CB-CG 4.42Å; P28-K53 HydrophobicContact CG-CB 4.16Å; P28-K53 HydrophobicContact CG-CD 3.89Å; P28-K53 HydrophobicContact CG-CG 4.26Å; P28-K53 PolarHBondContact O-N 2.75Å
29	L	92	Very high	88.1	Confident	3 Å²	3	74.9 Å²	74.9	2%	0.016	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	137.3	169.6	-94.7	67.5	0	0	0	110.8	P4 L7 V9 Y32 L50 L52 K53	P4-L29 HydrophobicContact CB-CB 4.43Å; L7-L29 HydrophobicContact CB-CB 4.28Å; L7-L29 HydrophobicContact CB-CD1 4.19Å; L7-L29 HydrophobicContact CB-CD2 3.85Å; L7-L29 HydrophobicContact CB-CG 4.33Å; L7-L29 HydrophobicContact CD1-CD2 4.02Å; L7-L29 PolarHBondContact O-N 3.39Å; V9-L29 HydrophobicContact CB-CD1 4.35Å; V9-L29 HydrophobicContact CG2-CD1 3.55Å; L29-Y32 HydrophobicContact CD2-CD1 4.44Å; L29-L50 HydrophobicContact CD2-CB 4.19Å; L29-L50 HydrophobicContact CD2-CD1 4.41Å; L29-L50 HydrophobicContact CD2-CD2 4.03Å; L29-L50 HydrophobicContact CD2-CG 4.42Å; L29-L50 HydrophobicContact CG-CB 4.39Å; L29-L52 HydrophobicContact CD1-CD2 3.96Å; L29-L52 HydrophobicContact CG-CD2 4.48Å; L29-K53 WeakPolarHBondContact O-CE 3.19Å
30	L	91.3	Very high	86.7	Confident	83 Å²	83	74.7 Å²	74.7	44%	0.435	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-45.6	162.3	-177.6	65.9	0	0	0	109.9	R51 K53	L30-R51 WeakPolarHBondContact CA-O 3.47Å; L30-R51 HydrophobicContact CB-CG 4.25Å; L30-R51 WeakPolarHBondContact CB-O 3.41Å; L30-R51 HydrophobicContact CD2-CG 4.14Å; L30-R51 PolarHBondContact N-O 3.43Å; L30-K53 HydrophobicContact CB-CG 3.89Å; L30-K53 HydrophobicContact CD1-CG 4.17Å
31	T	92.5	Very high	85.3	Confident	43 Å²	43	80 Å²	80	26%	0.264	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	170.7	179.2	-170	0	0	0	0	110.1	R51	T31-R51 HydrophobicContact CG2-CB 3.83Å; T31-R51 HydrophobicContact CG2-CG 4.48Å; T31-R51 PolarHBondContact N-O 3.18Å; T31-R51 PolarHBondContact O-N 3.44Å
32	Y	90.4	Very high	84.5	Confident	58 Å²	58	85.3 Å²	85.3	23%	0.227	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	153.2	167.4	62.7	-96	0	0	0	110.1	M1 A2 P4 L7 L29 T34 L49	M1-Y32 HydrophobicContact CB-CE1 4.48Å; M1-Y32 HydrophobicContact CB-CE2 4.09Å; M1-Y32 WeakPolarHBondContact CB-OH 3.46Å; M1-Y32 HydrophobicContact SD-CD2 3.94Å; M1-Y32 HydrophobicContact SD-CE2 3.68Å; A2-Y32 VanDerWaalsContact O-CE1 3.31Å; A2-Y32 WeakPolarHBondContact O-CE1 3.46Å; A2-Y32 PolarHBondContact O-OH 3.06Å; P4-Y32 HydrophobicContact CB-CD1 4.36Å; P4-Y32 HydrophobicContact CG-CD1 3.84Å; P4-Y32 HydrophobicContact CG-CE1 3.71Å; L7-Y32 HydrophobicContact CD1-CD1 4.11Å; L7-Y32 HydrophobicContact CD1-CE1 4.21Å; L29-Y32 HydrophobicContact CD2-CD1 4.44Å; Y32-T34 HydrophobicContact CD2-CG2 4.4Å; Y32-L49 CarbonylContact C-O 3.57Å; Y32-L49 WeakPolarHBondContact CA-O 3.37Å
33	L	92.4	Very high	83.9	Confident	48 Å²	48	80 Å²	80	25%	0.251	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	136.2	-174.2	-66.1	148.7	0	0	0	108.8	A48 L49 W195 T199 Q203	L33-A48 CarbonylContact O-C 3.52Å; L33-A48 VanDerWaalsContact O-CA 3.29Å; L33-A48 WeakPolarHBondContact O-CA 3.5Å; L33-L49 PolarHBondContact N-O 3.22Å; L33-L49 PolarHBondContact O-N 3.35Å; L33-W195 HydrophobicContact CB-CZ2 4.46Å; L33-T199 HydrophobicContact CB-CG2 4.18Å; L33-T199 HydrophobicContact CD1-CG2 3.58Å; L33-T199 HydrophobicContact CG-CG2 4.35Å; L33-Q203 HydrophobicContact CD1-CG 3.58Å
34	T	90.1	Very high	83.7	Confident	60 Å²	60	78.8 Å²	78.8	37%	0.368	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	155.3	178.3	67.5	0	0	0	0	110.6	M1 Y32 N36 A48	M1-T34 HydrophobicContact SD-CG2 4.49Å; Y32-T34 HydrophobicContact CD2-CG2 4.4Å; T34-N36 VanDerWaalsContact C-N 3.3Å; T34-N36 PolarHBondContact O-N 3.49Å; T34-A48 HydrophobicContact CG2-CB 4.13Å
35	S	86.4	Confident	83.7	Confident	28 Å²	28	78.9 Å²	78.9	20%	0.196	37%	0.367	C	S	.	.	S	Bend	trans	-92.9	53.4	177.3	-173.3	0	0	0	0	111.4	N45	S35-N45 WeakPolarHBondContact O-CB 3.39Å; S35-N45 VanDerWaalsContact O-CG 3.24Å; S35-N45 PolarHBondContact O-ND2 2.86Å
36	N	82.7	Confident	83.7	Confident	130 Å²	130	74.6 Å²	74.6	70%	0.695	35%	0.354	S	S	*	.	S	Bend	trans	60	56	-175.5	-168.7	23.9	0	0	0	112.6	T34 S38 N45	T34-N36 VanDerWaalsContact C-N 3.3Å; T34-N36 PolarHBondContact O-N 3.49Å; N36-S38 PolarHBondContact O-N 2.94Å; N36-N45 PolarHBondContact O-ND2 3.41Å
37	Y	79.2	Confident	83.7	Confident	96 Å²	96	71.6 Å²	71.6	38%	0.376	34%	0.335	S	S	.	.			trans	-56.7	134.4	174.2	174.3	-105.5	0	0	0	111.2	H39 S44 D46	Y37-H39 HydrophobicContact CE1-CB 4.04Å; Y37-S44 WeakPolarHBondContact CD2-O 3.43Å; Y37-D46 HydrophobicContact CD2-CB 4.29Å; Y37-D46 HydrophobicContact CE2-CB 4.01Å; Y37-D46 WeakPolarHBondContact CE2-OD1 3.17Å
38	S	72.7	Confident	83.7	Confident	24 Å²	24	72.5 Å²	72.5	17%	0.168	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-137.6	115.1	175.2	158.2	0	0	0	0	111.1	N36 R41 S44	N36-S38 PolarHBondContact O-N 2.94Å; S38-R41 VanDerWaalsContact OG-CB 3.3Å; S38-R41 WeakPolarHBondContact OG-CB 3.33Å; S38-R41 PolarHBondContact OG-N 3.02Å; S38-R41 VanDerWaalsContact OG-N 3.1Å; S38-S44 PolarHBondContact N-O 3.41Å; S38-S44 VanDerWaalsContact N-O 3.14Å; S38-S44 PolarHBondContact O-N 2.97Å; S38-S44 PolarHBondContact O-OG 3.45Å
39	H	70	Confident	83.7	Confident	123 Å²	123	72.6 Å²	72.6	57%	0.569	34%	0.343	S	S	*	.	S	Bend	trans	-80	-36.3	168.3	-171.5	-92.6	0	0	0	112	Y37 R41 R42	Y37-H39 HydrophobicContact CE1-CB 4.04Å; H39-R41 VanDerWaalsContact C-N 3.34Å; H39-R41 PolarHBondContact O-N 2.96Å; H39-R42 PolarHBondContact O-N 2.97Å
40	Y	60.2	Low	83.8	Confident	230 Å²	230	74.3 Å²	74.3	90%	0.902	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-33.4	-175.4	-69.1	-79.5	0	0	0	113.6	R42	Y40-R42 VanDerWaalsContact C-N 3.29Å; Y40-R42 PolarHBondContact O-N 3.38Å
41	R	58.7	Low	83.9	Confident	213 Å²	213	72.8 Å²	72.8	80%	0.804	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	30.7	-178.9	-59.8	-173.7	172.4	-163.1	-1.4	113.7	S38 H39	S38-R41 VanDerWaalsContact OG-CB 3.3Å; S38-R41 WeakPolarHBondContact OG-CB 3.33Å; S38-R41 PolarHBondContact OG-N 3.02Å; S38-R41 VanDerWaalsContact OG-N 3.1Å; H39-R41 VanDerWaalsContact C-N 3.34Å; H39-R41 PolarHBondContact O-N 2.96Å
42	R	73.9	Confident	84	Confident	165 Å²	165	72.5 Å²	72.5	62%	0.623	34%	0.337	S	S	*	.	S	Bend	trans	66.6	148.8	-164	-51.8	136.7	157.9	-160.9	3.6	110.2	H39 Y40 S44 S132 P133	H39-R42 PolarHBondContact O-N 2.97Å; Y40-R42 VanDerWaalsContact C-N 3.29Å; Y40-R42 PolarHBondContact O-N 3.38Å; R42-S44 PolarHBondContact O-N 3.07Å; R42-S44 PolarHBondContact O-OG 3.05Å; R42-S44 VanDerWaalsContact O-OG 3.08Å; R42-S132 WeakPolarHBondContact CB-OG 3.47Å; R42-P133 HydrophobicContact CB-CG 4.46Å; R42-P133 VanDerWaalsContact CD-CD 3.42Å; R42-P133 VanDerWaalsContact CD-CG 3.47Å; R42-P133 HydrophobicContact CG-CG 4.17Å; R42-P133 VanDerWaalsContact CZ-CG 3.48Å
43	I	77	Confident	84.1	Confident	26 Å²	26	75.1 Å²	75.1	13%	0.133	35%	0.35	C	S	.	.	S	Bend	trans	-53.7	113	-170	-59.8	169.9	0	0	0	109.1	D46 V131 S132 M139 W176	I43-D46 HydrophobicContact CG2-CB 3.78Å; I43-V131 HydrophobicContact CD1-CG1 4.06Å; I43-S132 PolarHBondContact N-OG 3.44Å; I43-M139 WeakPolarHBondContact O-CE 3.36Å; I43-W176 HydrophobicContact CD1-CB 3.94Å; I43-W176 HydrophobicContact CD1-CG 3.81Å
44	S	84.2	Confident	84.1	Confident	32 Å²	32	80 Å²	80	22%	0.224	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-144.5	145	-176.4	50.2	0	0	0	0	110.1	Y37 S38 R42 D46	Y37-S44 WeakPolarHBondContact CD2-O 3.43Å; S38-S44 PolarHBondContact N-O 3.41Å; S38-S44 VanDerWaalsContact N-O 3.14Å; S38-S44 PolarHBondContact O-N 2.97Å; S38-S44 PolarHBondContact O-OG 3.45Å; R42-S44 PolarHBondContact O-N 3.07Å; R42-S44 PolarHBondContact O-OG 3.05Å; R42-S44 VanDerWaalsContact O-OG 3.08Å; S44-D46 PolarHBondContact O-N 3.14Å
45	N	89.7	Confident	84.2	Confident	36 Å²	36	83.9 Å²	83.9	19%	0.193	39%	0.386	C	S	.	.	S	Bend	trans	51.7	42.5	-174.3	-48.8	-51	0	0	0	112.9	S35 N36 I47 Y192	S35-N45 WeakPolarHBondContact O-CB 3.39Å; S35-N45 VanDerWaalsContact O-CG 3.24Å; S35-N45 PolarHBondContact O-ND2 2.86Å; N36-N45 PolarHBondContact O-ND2 3.41Å; N45-I47 PolarHBondContact O-N 3.24Å; N45-Y192 VanDerWaalsContact CA-OH 3.3Å; N45-Y192 WeakPolarHBondContact CA-OH 3.48Å; N45-Y192 HydrophobicContact CB-CE1 4.27Å; N45-Y192 PolarHBondContact OD1-OH 3.47Å; N45-Y192 VanDerWaalsContact OD1-OH 3.08Å
46	D	92.2	Very high	84.4	Confident	47 Å²	47	85.1 Å²	85.1	25%	0.251	39%	0.39	S	S	.	.			trans	-76.2	68.5	-179.4	-166.4	24.1	0	0	0	111.4	Y37 I43 S44 S175 T187	Y37-D46 HydrophobicContact CD2-CB 4.29Å; Y37-D46 HydrophobicContact CE2-CB 4.01Å; Y37-D46 WeakPolarHBondContact CE2-OD1 3.17Å; I43-D46 HydrophobicContact CG2-CB 3.78Å; S44-D46 PolarHBondContact O-N 3.14Å; D46-S175 WeakPolarHBondContact OD2-CB 3.38Å; D46-S175 PolarHBondContact OD2-OG 2.86Å; D46-T187 WeakPolarHBondContact O-CB 3.24Å; D46-T187 PolarHBondContact O-OG1 2.92Å
47	I	94	Very high	84.8	Confident	13 Å²	13	85.6 Å²	85.6	7%	0.067	39%	0.39	C	S	.	.			trans	-151.2	141.2	-178.8	-169.1	168.5	0	0	0	110.2	N45 T187 Y192 W195 L196	N45-I47 PolarHBondContact O-N 3.24Å; I47-T187 HydrophobicContact CB-CG2 4.12Å; I47-Y192 HydrophobicContact CD1-CD2 4.14Å; I47-Y192 HydrophobicContact CD1-CG 4.09Å; I47-Y192 HydrophobicContact CG2-CD1 3.85Å; I47-Y192 HydrophobicContact CG2-CD2 4.19Å; I47-Y192 HydrophobicContact CG2-CE1 4.02Å; I47-Y192 HydrophobicContact CG2-CE2 4.41Å; I47-Y192 HydrophobicContact CG2-CG 3.95Å; I47-W195 HydrophobicContact CD1-CZ3 4.39Å; I47-W195 HydrophobicContact CG1-CZ3 4.31Å; I47-W195 HydrophobicContact CG2-CZ3 4.1Å; I47-L196 HydrophobicContact CD1-CD1 4.31Å; I47-L196 HydrophobicContact CD1-CD2 4.36Å
48	A	93.8	Very high	85.4	Confident	32 Å²	32	88.2 Å²	88.2	26%	0.264	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	145.6	172.8	0	0	0	0	0	110.5	M1 L33 T34 L50	M1-A48 HydrophobicContact CE-CB 4.25Å; L33-A48 CarbonylContact O-C 3.52Å; L33-A48 VanDerWaalsContact O-CA 3.29Å; L33-A48 WeakPolarHBondContact O-CA 3.5Å; T34-A48 HydrophobicContact CG2-CB 4.13Å; A48-L50 HydrophobicContact CB-CD2 4.35Å
49	L	94.6	Very high	86.3	Confident	34 Å²	34	89.6 Å²	89.6	18%	0.178	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	121.9	171.2	-178.7	67.7	0	0	0	108.7	Y32 L33 W195 L196 T199 M200	Y32-L49 CarbonylContact C-O 3.57Å; Y32-L49 WeakPolarHBondContact CA-O 3.37Å; L33-L49 PolarHBondContact N-O 3.22Å; L33-L49 PolarHBondContact O-N 3.35Å; L49-W195 HydrophobicContact CB-CH2 3.98Å; L49-W195 HydrophobicContact CB-CZ3 4.42Å; L49-L196 HydrophobicContact CB-CD2 4.39Å; L49-L196 HydrophobicContact CD1-CD2 4.16Å; L49-T199 HydrophobicContact CD2-CG2 3.72Å; L49-M200 HydrophobicContact CD1-CG 4.3Å; L49-M200 HydrophobicContact CD2-CG 3.71Å
50	L	94	Very high	87.3	Confident	39 Å²	39	90.2 Å²	90.2	20%	0.204	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	129.4	-179	-46.5	-175.1	0	0	0	109.9	V9 L29 A48 V251 L253	V9-L50 HydrophobicContact CG2-CD1 3.79Å; L29-L50 HydrophobicContact CD2-CB 4.19Å; L29-L50 HydrophobicContact CD2-CD1 4.41Å; L29-L50 HydrophobicContact CD2-CD2 4.03Å; L29-L50 HydrophobicContact CD2-CG 4.42Å; L29-L50 HydrophobicContact CG-CB 4.39Å; A48-L50 HydrophobicContact CB-CD2 4.35Å; L50-V251 HydrophobicContact CD1-CG1 3.99Å; L50-L253 HydrophobicContact CD1-CD2 4.06Å; L50-L253 HydrophobicContact CD2-CD2 4.35Å
51	R	93.1	Very high	88.8	Confident	51 Å²	51	82.1 Å²	82.1	19%	0.192	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	123.9	173.7	-177.7	174.3	178	176.5	2.5	109	L30 T31 Q203 S206 S207	L30-R51 WeakPolarHBondContact CA-O 3.47Å; L30-R51 HydrophobicContact CB-CG 4.25Å; L30-R51 WeakPolarHBondContact CB-O 3.41Å; L30-R51 HydrophobicContact CD2-CG 4.14Å; L30-R51 PolarHBondContact N-O 3.43Å; T31-R51 HydrophobicContact CG2-CB 3.83Å; T31-R51 HydrophobicContact CG2-CG 4.48Å; T31-R51 PolarHBondContact N-O 3.18Å; T31-R51 PolarHBondContact O-N 3.44Å; R51-Q203 VanDerWaalsContact CD-OE1 3.26Å; R51-Q203 PolarHBondContact NH1-O 3.41Å; R51-Q203 PolarHBondContact NH2-O 2.02Å; R51-S206 PolarHBondContact NH1-OG 3.22Å; R51-S207 PolarHBondContact NH2-OG 3.01Å
52	L	94	Very high	90.4	Very high	37 Å²	37	72.3 Å²	72.3	19%	0.194	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	152.4	-178.5	-53.9	-176.8	0	0	0	111.8	V9 I27 L29 K54 I56	V9-L52 HydrophobicContact CB-CD2 3.73Å; V9-L52 HydrophobicContact CG1-CD2 4.33Å; V9-L52 HydrophobicContact CG2-CD2 3.85Å; I27-L52 HydrophobicContact CB-CD1 4.42Å; I27-L52 HydrophobicContact CD1-CD1 4.3Å; I27-L52 HydrophobicContact CG2-CB 3.91Å; I27-L52 HydrophobicContact CG2-CD1 4.37Å; L29-L52 HydrophobicContact CD1-CD2 3.96Å; L29-L52 HydrophobicContact CG-CD2 4.48Å; L52-K54 VanDerWaalsContact C-N 3.3Å; L52-K54 WeakPolarHBondContact CB-O 3.31Å; L52-I56 HydrophobicContact CD1-CD1 3.45Å; L52-I56 VanDerWaalsContact CD1-CD1 3.45Å; L52-I56 HydrophobicContact CD1-CG1 3.81Å
53	K	93.3	Very high	91.3	Very high	114 Å²	114	68.9 Å²	68.9	50%	0.496	34%	0.336	S	S	.	.	S	Bend	trans	-72.3	-23.4	173.3	-67.8	-171	178.6	171.4	0	112.9	P28 L29 L30	P28-K53 HydrophobicContact CB-CD 4.04Å; P28-K53 HydrophobicContact CB-CG 4.42Å; P28-K53 HydrophobicContact CG-CB 4.16Å; P28-K53 HydrophobicContact CG-CD 3.89Å; P28-K53 HydrophobicContact CG-CG 4.26Å; P28-K53 PolarHBondContact O-N 2.75Å; L29-K53 WeakPolarHBondContact O-CE 3.19Å; L30-K53 HydrophobicContact CB-CG 3.89Å; L30-K53 HydrophobicContact CD1-CG 4.17Å
54	K	92.4	Very high	92.2	Very high	149 Å²	149	71.8 Å²	71.8	65%	0.648	36%	0.357	S	S	*	.	S	Bend	trans	-126.7	151.1	-179.9	-58.6	-178.3	178.9	178.8	0	110.3	I27 L52	I27-K54 HydrophobicContact CG2-CB 3.8Å; I27-K54 HydrophobicContact CG2-CG 4.35Å; L52-K54 VanDerWaalsContact C-N 3.3Å; L52-K54 WeakPolarHBondContact CB-O 3.31Å
55	I	92	Very high	92.7	Very high	143 Å²	143	72.3 Å²	72.3	73%	0.733	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-68.9	146.6	171.4	62.1	172.3	0	0	0	110	M57	I55-M57 HydrophobicContact CD1-SD 3.96Å; I55-M57 HydrophobicContact CG1-SD 4.42Å
56	I	91.4	Very high	93	Very high	54 Å²	54	72.7 Å²	72.7	28%	0.277	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-87.6	127.5	170.4	-69.5	163.8	0	0	0	107.9	V11 I27 L52 Y58 V62	V11-I56 HydrophobicContact CG1-CD1 3.83Å; V11-I56 HydrophobicContact CG2-CG1 4.44Å; V11-I56 HydrophobicContact CG2-CG2 4.28Å; I27-I56 HydrophobicContact CD1-CG1 3.62Å; L52-I56 HydrophobicContact CD1-CD1 3.45Å; L52-I56 VanDerWaalsContact CD1-CD1 3.45Å; L52-I56 HydrophobicContact CD1-CG1 3.81Å; I56-Y58 HydrophobicContact CG2-CD1 4.05Å; I56-Y58 HydrophobicContact CG2-CE1 4.17Å; I56-V62 HydrophobicContact CG2-CG1 3.4Å
57	M	90.9	Very high	93.2	Very high	139 Å²	139	73.5 Å²	73.5	69%	0.685	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-87.5	120.4	170.2	-62.4	-58.6	-65.9	0	0	108.8	I55	I55-M57 HydrophobicContact CD1-SD 3.96Å; I55-M57 HydrophobicContact CG1-SD 4.42Å
58	Y	92.3	Very high	93.3	Very high	151 Å²	151	72.9 Å²	72.9	59%	0.592	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-71.7	147.1	179.6	-57.4	-29.2	0	0	0	111.8	I56 V62 P64	I56-Y58 HydrophobicContact CG2-CD1 4.05Å; I56-Y58 HydrophobicContact CG2-CE1 4.17Å; Y58-V62 VanDerWaalsContact CA-O 3.25Å; Y58-V62 WeakPolarHBondContact CA-O 3.18Å; Y58-V62 WeakPolarHBondContact CB-O 3.42Å; Y58-P64 HydrophobicContact CE1-CG 4.48Å; Y58-P64 HydrophobicContact CE2-CG 4Å
59	N	90.1	Very high	93.5	Very high	53 Å²	53	76.6 Å²	76.6	28%	0.283	38%	0.376	S	S	.	.	B	Isolated β-bridge	trans	-155.9	-179.2	173.7	61.4	67.1	0	0	0	108.6	H61 V62 L63	N59-H61 PolarHBondContact O-N 3.23Å; N59-H61 WeakPolarHBondContact OD1-CA 3.36Å; N59-H61 WeakPolarHBondContact OD1-CB 3.25Å; N59-H61 PolarHBondContact OD1-N 2.81Å; N59-V62 PolarHBondContact N-O 3.31Å; N59-V62 VanDerWaalsContact N-O 3.11Å; N59-V62 CarbonylContact O-C 3.35Å; N59-V62 PolarHBondContact O-N 3.38Å; N59-V62 VanDerWaalsContact O-O 3.07Å; N59-V62 PolarHBondContact OD1-N 3.01Å; N59-L63 WeakPolarHBondContact O-CD2 3.24Å
60	E	91	Very high	93.6	Very high	136 Å²	136	77.6 Å²	77.6	64%	0.636	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-20.5	-179.5	67.6	-143.6	-171.4	0	0	115	H23	H23-E60 IonicContact CE1-OE1 3.17Å
61	H	91.4	Very high	93.6	Very high	61 Å²	61	81.9 Å²	81.9	28%	0.282	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-7.2	177.1	-56.4	86.5	0	0	0	113.5	H23 N59	H23-H61 HydrophobicContact CB-CB 3.79Å; H23-H61 AromaticContact CD2-CD2 3.96Å; H23-H61 AromaticContact CD2-CE1 3.18Å; H23-H61 PolarHBondContact CD2-CE1 3.24Å; H23-H61 AromaticContact CD2-CG 3.77Å; H23-H61 AromaticContact CD2-ND1 3.26Å; H23-H61 PolarHBondContact CD2-ND1 3.49Å; H23-H61 VanDerWaalsContact CD2-ND1 3.26Å; H23-H61 AromaticContact CD2-NE2 3.61Å; H23-H61 AromaticContact CE1-CE1 3.64Å; H23-H61 AromaticContact CE1-ND1 3.69Å; H23-H61 AromaticContact CG-CE1 3.64Å; H23-H61 AromaticContact CG-CG 3.69Å; H23-H61 AromaticContact CG-ND1 3.19Å; H23-H61 AromaticContact ND1-CE1 3.9Å; H23-H61 AromaticContact ND1-ND1 3.49Å; H23-H61 PolarHBondContact ND1-ND1 3.31Å; H23-H61 AromaticContact NE2-CE1 3.24Å; H23-H61 PolarHBondContact NE2-CE1 2.66Å; H23-H61 AromaticContact NE2-ND1 3.62Å; H23-H61 AromaticContact NE2-NE2 3.94Å; N59-H61 PolarHBondContact O-N 3.23Å; N59-H61 WeakPolarHBondContact OD1-CA 3.36Å; N59-H61 WeakPolarHBondContact OD1-CB 3.25Å; N59-H61 PolarHBondContact OD1-N 2.81Å
62	V	92.6	Very high	93.7	Very high	7 Å²	7	82.1 Å²	82.1	4%	0.042	41%	0.408	C	S	.	.	B	Isolated β-bridge	trans	-136.9	95.6	-175.7	-174.8	0	0	0	0	109.6	V11 I56 Y58 N59	V11-V62 HydrophobicContact CB-CG1 3.98Å; V11-V62 HydrophobicContact CB-CG2 4.3Å; V11-V62 HydrophobicContact CG2-CG1 3.9Å; V11-V62 HydrophobicContact CG2-CG2 4.14Å; I56-V62 HydrophobicContact CG2-CG1 3.4Å; Y58-V62 VanDerWaalsContact CA-O 3.25Å; Y58-V62 WeakPolarHBondContact CA-O 3.18Å; Y58-V62 WeakPolarHBondContact CB-O 3.42Å; N59-V62 PolarHBondContact N-O 3.31Å; N59-V62 VanDerWaalsContact N-O 3.11Å; N59-V62 CarbonylContact O-C 3.35Å; N59-V62 PolarHBondContact O-N 3.38Å; N59-V62 VanDerWaalsContact O-O 3.07Å; N59-V62 PolarHBondContact OD1-N 3.01Å
63	L	93.6	Very high	93.6	Very high	93 Å²	93	88.2 Å²	88.2	49%	0.487	44%	0.436	S	S	.	.			trans	-126.8	148.7	-179.9	-64.1	175.2	0	0	0	111.2	N59	N59-L63 WeakPolarHBondContact O-CD2 3.24Å
64	P	94.8	Very high	93.3	Very high	86 Å²	86	83.8 Å²	83.8	56%	0.558	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-73.5	150.4	172.9	31.9	-34.5	0	0	0	111.3	Y58	Y58-P64 HydrophobicContact CE1-CG 4.48Å; Y58-P64 HydrophobicContact CE2-CG 4Å
65	V	95.7	Very high	93.1	Very high	44 Å²	44	79.5 Å²	79.5	27%	0.267	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-97	152.1	167.8	68.5	0	0	0	0	110.1	V161 F168 Q170 F249	V65-V161 HydrophobicContact CG2-CG1 3.83Å; V65-F168 HydrophobicContact CG2-CB 4.36Å; V65-F168 WeakPolarHBondContact CG2-O 3.16Å; V65-Q170 HydrophobicContact CG1-CB 3.9Å; V65-Q170 HydrophobicContact CG2-CB 4.05Å; V65-F249 HydrophobicContact CG2-CE1 4.08Å
66	C	96.6	Very high	92.5	Very high	44 Å²	44	81.2 Å²	81.2	30%	0.297	42%	0.417	S	S	.	.	B	Isolated β-bridge	trans	-71.7	139.1	175.5	-63.1	0	0	0	0	110.5	F168 V169 Q170	C66-F168 WeakPolarHBondContact CB-O 3.29Å; C66-F168 PolarHBondContact N-O 3.14Å; C66-V169 HydrophobicContact CB-CB 4.3Å; C66-V169 HydrophobicContact CB-CG1 4.37Å; C66-V169 HydrophobicContact CB-CG2 3.9Å; C66-V169 CarbonylContact O-C 3.58Å; C66-V169 WeakPolarHBondContact O-CA 3.15Å; C66-Q170 PolarHBondContact O-N 3.05Å
67	I	95.8	Very high	91.9	Very high	64 Å²	64	85.4 Å²	85.4	33%	0.328	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-89	136.6	166.4	-61.6	175.6	0	0	0	107.1	V189 L196 M200	I67-V189 HydrophobicContact CG2-CG1 4.24Å; I67-L196 HydrophobicContact CG2-CD1 4.19Å; I67-M200 HydrophobicContact CD1-CE 3.85Å; I67-M200 HydrophobicContact CD1-SD 4.43Å
68	P	97	Very high	91.5	Very high	0 Å²	0	79.9 Å²	79.9	0%	0	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-61.6	158.8	176	24.9	-34.5	0	0	0	112.2	Q72 V169 Q170 F171 V189 A190 S193	P68-Q72 HydrophobicContact CB-CB 4.26Å; P68-V169 HydrophobicContact CB-CG1 3.84Å; P68-V169 HydrophobicContact CG-CG1 4.35Å; P68-Q170 WeakPolarHBondContact CD-O 3.33Å; P68-F171 HydrophobicContact CB-CD1 4.01Å; P68-F171 HydrophobicContact CB-CE1 3.74Å; P68-F171 HydrophobicContact CB-CZ 4.26Å; P68-F171 HydrophobicContact CG-CD1 4.29Å; P68-F171 HydrophobicContact CG-CE1 4.5Å; P68-V189 HydrophobicContact CG-CB 4.06Å; P68-V189 HydrophobicContact CG-CG1 3.87Å; P68-A190 HydrophobicContact CB-CB 3.99Å; P68-A190 HydrophobicContact CG-CB 3.95Å; P68-S193 WeakPolarHBondContact O-CB 3.36Å; P68-S193 PolarHBondContact O-OG 3.29Å
69	E	96.9	Very high	91.4	Very high	109 Å²	109	77.8 Å²	77.8	51%	0.509	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-72.3	159.5	165.1	-69.1	-56.2	139.1	0	0	111	E71 Q72 K197	E69-E71 PolarHBondContact O-N 3.07Å; E69-Q72 HydrophobicContact CB-CB 4.12Å; E69-Q72 WeakPolarHBondContact O-CB 3.28Å; E69-Q72 PolarHBondContact O-N 3.18Å; E69-K197 IonicContact OE1-NZ 2.64Å; E69-K197 PolarHBondContact OE1-NZ 3.09Å; E69-K197 IonicContact OE2-NZ 3.98Å; E69-K197 PolarHBondContact OE2-NZ 3.11Å
70	S	96.8	Very high	91.7	Very high	56 Å²	56	75.3 Å²	75.3	39%	0.392	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	131.8	178.3	-166.9	0	0	0	0	110.1	Q72 P194	S70-Q72 PolarHBondContact O-N 3.38Å; S70-Q72 VanDerWaalsContact O-N 3.08Å; S70-P194 WeakPolarHBondContact OG-CG 3.42Å
71	E	93.8	Very high	92	Very high	128 Å²	128	70.5 Å²	70.5	60%	0.598	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	14.8	-177.5	-50.1	-61.9	144.4	0	0	114.2	E69 E73	E69-E71 PolarHBondContact O-N 3.07Å; E71-E73 PolarHBondContact O-N 2.91Å
72	Q	94.9	Very high	92.3	Very high	57 Å²	57	67.6 Å²	67.6	27%	0.266	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-68.5	126.3	172.3	-176	-176.8	-3.5	0	0	109.2	P68 E69 S70 F171 A190	P68-Q72 HydrophobicContact CB-CB 4.26Å; E69-Q72 HydrophobicContact CB-CB 4.12Å; E69-Q72 WeakPolarHBondContact O-CB 3.28Å; E69-Q72 PolarHBondContact O-N 3.18Å; S70-Q72 PolarHBondContact O-N 3.38Å; S70-Q72 VanDerWaalsContact O-N 3.08Å; Q72-F171 HydrophobicContact CB-CE1 4.35Å; Q72-F171 HydrophobicContact CG-CE1 4.02Å; Q72-F171 HydrophobicContact CG-CZ 4.08Å; Q72-F171 WeakPolarHBondContact O-CE1 3.39Å; Q72-A190 WeakPolarHBondContact O-CB 3.39Å
73	E	92.2	Very high	92.4	Very high	165 Å²	165	67.6 Å²	67.6	77%	0.771	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-97.3	142.4	169.5	-65.4	-174.2	165.2	0	0	110.3	E71	E71-E73 PolarHBondContact O-N 2.91Å
74	P	87.8	Confident	92.5	Very high	21 Å²	21	63.6 Å²	63.6	14%	0.136	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-68	143	167.8	29.5	-31.7	0	0	0	109.4	S78 I120 C162 F171	P74-S78 WeakPolarHBondContact CB-OG 3.29Å; P74-I120 HydrophobicContact CB-CD1 4.07Å; P74-I120 HydrophobicContact CG-CD1 3.22Å; P74-C162 HydrophobicContact CB-CB 4.29Å; P74-F171 HydrophobicContact CB-CD1 4.35Å; P74-F171 HydrophobicContact CB-CD2 4.03Å; P74-F171 HydrophobicContact CB-CE1 4.21Å; P74-F171 HydrophobicContact CB-CE2 3.86Å; P74-F171 HydrophobicContact CB-CG 4.25Å; P74-F171 HydrophobicContact CB-CZ 3.95Å; P74-F171 HydrophobicContact CG-CD1 4.2Å; P74-F171 HydrophobicContact CG-CE1 4.38Å; P74-F171 HydrophobicContact CG-CG 4.27Å
75	P	86.7	Confident	92.4	Very high	58 Å²	58	61.1 Å²	61.1	38%	0.377	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-54.6	146.1	174.1	-24.3	32.9	0	0	0	112.3	D77 S78 V164	P75-D77 WeakPolarHBondContact CB-OD1 3.39Å; P75-D77 PolarHBondContact O-N 2.96Å; P75-D77 VanDerWaalsContact O-N 3.11Å; P75-S78 WeakPolarHBondContact O-CB 3.33Å; P75-S78 PolarHBondContact O-N 3.16Å; P75-S78 PolarHBondContact O-OG 3.28Å; P75-V164 HydrophobicContact CG-CG1 4.46Å
76	D	80.2	Confident	92.1	Very high	180 Å²	180	59.1 Å²	59.1	96%	0.963	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-30.5	-177.2	-73.7	-26.9	0	0	0	113.5
77	D	79.5	Confident	91.6	Very high	142 Å²	142	57.7 Å²	57.7	76%	0.759	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	6.1	179.8	66.5	-25.6	0	0	0	113.5	P75 M79	P75-D77 WeakPolarHBondContact CB-OD1 3.39Å; P75-D77 PolarHBondContact O-N 2.96Å; P75-D77 VanDerWaalsContact O-N 3.11Å; D77-M79 PolarHBondContact O-N 3.41Å
78	S	82.8	Confident	90.9	Very high	23 Å²	23	57 Å²	57	16%	0.161	30%	0.299	C	S	.	.			trans	-67.7	133	-177.5	63.5	0	0	0	0	112.2	P74 P75 C80	P74-S78 WeakPolarHBondContact CB-OG 3.29Å; P75-S78 WeakPolarHBondContact O-CB 3.33Å; P75-S78 PolarHBondContact O-N 3.16Å; P75-S78 PolarHBondContact O-OG 3.28Å; S78-C80 PolarHBondContact O-N 3.47Å
79	M	89.6	Confident	89.5	Confident	107 Å²	107	59.1 Å²	59.1	53%	0.527	32%	0.322	S	S	.	.			trans	-75	114.6	172.4	-66.4	-175.9	-69.3	0	0	109.2	D77 F81 C162 Y163	D77-M79 PolarHBondContact O-N 3.41Å; M79-F81 HydrophobicContact CB-CE2 3.77Å; M79-F81 HydrophobicContact CB-CZ 3.91Å; M79-C162 WeakPolarHBondContact O-CA 3.39Å; M79-Y163 PolarHBondContact O-N 2.05Å
80	C	96.2	Very high	87.5	Confident	1 Å²	1	62.7 Å²	62.7	1%	0.007	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	143.8	175.9	-56.7	0	0	0	0	111.4	S78 E117 V118 M160 V161 C162	S78-C80 PolarHBondContact O-N 3.47Å; C80-E117 CarbonylContact O-C 3.5Å; C80-E117 WeakPolarHBondContact O-CA 3.48Å; C80-V118 HydrophobicContact CB-CG2 4.19Å; C80-V118 PolarHBondContact O-N 3.34Å; C80-M160 HydrophobicContact CB-CG 4.35Å; C80-V161 CarbonylContact C-O 3.58Å; C80-V161 WeakPolarHBondContact CA-O 3.44Å; C80-C162 HydrophobicContact CB-CB 4.11Å; C80-C162 WeakPolarHBondContact CB-SG 3.32Å; C80-C162 WeakPolarHBondContact SG-CB 3.38Å; C80-C162 CovalentContact SG-SG 2.05Å; C80-C162 PolarHBondContact SG-SG 2.85Å
81	F	97.3	Very high	85.3	Confident	34 Å²	34	68.8 Å²	68.8	15%	0.149	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	136.7	-176.9	-55.7	-86.8	0	0	0	110.4	M79 V115 V116 E117 M160 V161 F168	M79-F81 HydrophobicContact CB-CE2 3.77Å; M79-F81 HydrophobicContact CB-CZ 3.91Å; F81-V115 HydrophobicContact CB-CG1 3.87Å; F81-V115 HydrophobicContact CD1-CG1 4.08Å; F81-V115 HydrophobicContact CG-CG1 4.3Å; F81-V116 CarbonylContact C-O 3.5Å; F81-V116 VanDerWaalsContact CA-O 3.25Å; F81-V116 WeakPolarHBondContact CA-O 3.38Å; F81-E117 HydrophobicContact CD1-CB 4.23Å; F81-E117 HydrophobicContact CE1-CB 4.14Å; F81-E117 HydrophobicContact CE1-CG 4.48Å; F81-M160 CarbonylContact O-C 3.52Å; F81-M160 VanDerWaalsContact O-CA 3.3Å; F81-M160 WeakPolarHBondContact O-CA 3.3Å; F81-V161 HydrophobicContact CB-CG2 4.17Å; F81-V161 PolarHBondContact N-O 2.91Å; F81-V161 PolarHBondContact O-N 3.45Å; F81-F168 HydrophobicContact CD2-CE1 4.07Å; F81-F168 HydrophobicContact CE2-CE1 4.19Å
82	A	96.7	Very high	83.3	Confident	1 Å²	1	66.1 Å²	66.1	1%	0.008	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	146.9	165.9	0	0	0	0	0	109.7	V115 V116 V118 T151 P159 F186	A82-V115 WeakPolarHBondContact O-CA 3.48Å; A82-V116 HydrophobicContact CB-CG1 4.14Å; A82-V116 PolarHBondContact N-O 3.04Å; A82-V116 PolarHBondContact O-N 3.3Å; A82-V118 HydrophobicContact CB-CG1 4.21Å; A82-T151 HydrophobicContact CB-CG2 3.51Å; A82-P159 WeakPolarHBondContact CA-O 3.47Å; A82-F186 HydrophobicContact CB-CE1 4.29Å; A82-F186 HydrophobicContact CB-CZ 4.15Å
83	A	96.5	Very high	81.2	Confident	6 Å²	6	70.2 Å²	70.2	5%	0.05	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	144.6	-180	0	0	0	0	0	111.9	L113 R114 V115 P159 F249	A83-L113 HydrophobicContact CB-CD1 4.18Å; A83-R114 VanDerWaalsContact CA-O 3.23Å; A83-R114 WeakPolarHBondContact CA-O 3.26Å; A83-V115 HydrophobicContact CB-CG2 4.1Å; A83-P159 PolarHBondContact N-O 3.02Å; A83-F249 HydrophobicContact CB-CB 4.35Å; A83-F249 HydrophobicContact CB-CD2 4.46Å
84	G	95.2	Very high	79.2	Confident	9 Å²	9	70.5 Å²	70.5	9%	0.093	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.1	-177.6	177.3	0	0	0	0	0	114.7	R114 D155	G84-R114 PolarHBondContact N-O 3.02Å; G84-R114 PolarHBondContact O-N 3.01Å; G84-D155 VanDerWaalsContact CA-OD1 3.27Å; G84-D155 WeakPolarHBondContact CA-OD1 3.46Å
85	W	92.1	Very high	77.4	Confident	34 Å²	34	79.3 Å²	79.3	13%	0.129	40%	0.399	C	S	.	.			trans	-114.2	18.4	179.8	-67	-91	0	0	0	111.6	A13 H14 T16 S110 L113 D155	A13-W85 HydrophobicContact CB-CZ2 4.42Å; A13-W85 WeakPolarHBondContact O-CZ2 3.41Å; H14-W85 PolarHBondContact O-NE1 2.87Å; T16-W85 HydrophobicContact CG2-CB 4.42Å; T16-W85 VanDerWaalsContact CG2-CD1 3.48Å; T16-W85 HydrophobicContact CG2-CD2 3.87Å; T16-W85 HydrophobicContact CG2-CG 3.69Å; T16-W85 HydrophobicContact CG2-CZ2 4.5Å; W85-S110 WeakPolarHBondContact CB-O 3.43Å; W85-S110 PolarHBondContact O-N 2.73Å; W85-L113 HydrophobicContact CD2-CB 4.48Å; W85-L113 HydrophobicContact CD2-CD1 3.95Å; W85-L113 HydrophobicContact CE3-CD1 3.95Å; W85-L113 HydrophobicContact CH2-CB 4.49Å; W85-L113 HydrophobicContact CH2-CD1 3.71Å; W85-L113 HydrophobicContact CH2-CD2 4.41Å; W85-L113 HydrophobicContact CH2-CG 4.43Å; W85-L113 HydrophobicContact CZ2-CB 3.68Å; W85-L113 HydrophobicContact CZ2-CD1 3.7Å; W85-L113 HydrophobicContact CZ2-CD2 4.26Å; W85-L113 HydrophobicContact CZ2-CG 4.07Å; W85-L113 HydrophobicContact CZ3-CD1 3.83Å; W85-D155 PolarHBondContact N-OD1 2.89Å
86	G	89.1	Confident	75.8	Confident	2 Å²	2	83 Å²	83	2%	0.021	41%	0.406	C	S	.	.			trans	-60.1	-179.6	-178.4	0	0	0	0	0	113.4	T88 S110 M153 D155	G86-T88 WeakPolarHBondContact O-CG2 3.29Å; G86-T88 PolarHBondContact O-N 3.11Å; G86-S110 PolarHBondContact O-N 2.64Å; G86-S110 VanDerWaalsContact O-N 3.08Å; G86-M153 CarbonylContact C-O 3.42Å; G86-M153 VanDerWaalsContact CA-O 3.25Å; G86-M153 WeakPolarHBondContact CA-O 3.32Å; G86-D155 VanDerWaalsContact CA-OD1 3.24Å; G86-D155 WeakPolarHBondContact CA-OD1 3.45Å; G86-D155 PolarHBondContact N-OD1 2.88Å
87	L	86.4	Confident	74.6	Confident	14 Å²	14	84.2 Å²	84.2	7%	0.073	40%	0.398	C	S	.	.	B	Isolated β-bridge	trans	-57.7	136.5	-179.3	176.8	60.4	0	0	0	111.3	M99 L103 M108 L109 C152 M153	L87-M99 HydrophobicContact CD2-CG 4.26Å; L87-L103 HydrophobicContact CB-CD2 4.31Å; L87-L103 HydrophobicContact CD1-CD2 3.71Å; L87-L103 HydrophobicContact CD2-CD2 4.24Å; L87-L103 HydrophobicContact CG-CD2 4.3Å; L87-M108 HydrophobicContact CD1-CB 3.23Å; L87-M108 HydrophobicContact CD1-CE 4.08Å; L87-M108 HydrophobicContact CD1-CG 4.34Å; L87-M108 VanDerWaalsContact CD1-O 3.28Å; L87-M108 WeakPolarHBondContact CD1-O 3.44Å; L87-M108 HydrophobicContact CD1-SD 4.32Å; L87-L109 HydrophobicContact CB-CD2 4.47Å; L87-C152 HydrophobicContact CB-CB 4.25Å; L87-C152 WeakPolarHBondContact O-CB 3.23Å; L87-M153 HydrophobicContact CB-CB 4.48Å; L87-M153 HydrophobicContact CD2-SD 4.3Å; L87-M153 PolarHBondContact N-O 3.35Å
88	T	81.6	Confident	73.2	Confident	49 Å²	49	82.5 Å²	82.5	30%	0.301	39%	0.389	S	S	.	.			trans	-129.9	144.7	178.4	78	0	0	0	0	111.8	G86 M108 R114	G86-T88 WeakPolarHBondContact O-CG2 3.29Å; G86-T88 PolarHBondContact O-N 3.11Å; T88-M108 PolarHBondContact N-O 3.39Å; T88-R114 PolarHBondContact OG1-NH1 3.19Å
89	G	67.4	Low	71.9	Confident	46 Å²	46	82.3 Å²	82.3	47%	0.474	39%	0.385	S	S	.	.	S	Bend	trans	139.2	155.3	168.3	0	0	0	0	0	114	K91	G89-K91 PolarHBondContact O-N 2.83Å
90	E	54.2	Low	70.3	Confident	184 Å²	184	86.8 Å²	86.8	86%	0.86	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-62.7	-14.3	162.6	-76.4	-179.3	153.2	0	0	112.1	I92 I93	E90-I92 PolarHBondContact O-N 3.2Å; E90-I93 WeakPolarHBondContact O-CD1 3.31Å; E90-I93 WeakPolarHBondContact O-CG1 3.33Å
91	K	50.5	Low	68.2	Low	184 Å²	184	92.7 Å²	92.7	80%	0.8	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-71.4	9.6	-174.9	-66.4	-174.6	179	179.4	0	115.2	G89 I93	G89-K91 PolarHBondContact O-N 2.83Å; K91-I93 PolarHBondContact O-N 2.99Å
92	I	53.4	Low	66.1	Low	72 Å²	72	93.7 Å²	93.7	37%	0.369	43%	0.434	S	S	.	.	G	3₁₀ helix	trans	-60.5	-7	173.9	-65.9	-177.5	0	0	0	112.6	E90 K94 C180	E90-I92 PolarHBondContact O-N 3.2Å; I92-K94 VanDerWaalsContact C-N 3.31Å; I92-K94 PolarHBondContact O-N 2.9Å; I92-C180 HydrophobicContact CD1-CB 3.56Å
93	I	49.5	Very low	64.1	Low	142 Å²	142	95.3 Å²	95.3	73%	0.728	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-64.6	-10.1	-165.1	-65.2	169.1	0	0	0	116.5	E90 K91	E90-I93 WeakPolarHBondContact O-CD1 3.31Å; E90-I93 WeakPolarHBondContact O-CG1 3.33Å; K91-I93 PolarHBondContact O-N 2.99Å
94	K	50.3	Low	61.9	Low	171 Å²	171	102.4 Å²	102.4	74%	0.743	48%	0.478	S	S	*	.	S	Bend	trans	-137.9	94.7	-178.7	-70.8	-176	179.3	174.8	0	115.2	I92	I92-K94 VanDerWaalsContact C-N 3.31Å; I92-K94 PolarHBondContact O-N 2.9Å
95	R	51.3	Low	59.8	Low	207 Å²	207	109.7 Å²	109.7	78%	0.781	51%	0.51	S	S	*	.			trans	63	106	161.1	-69.7	-177.1	173.4	-166.8	-1.7	116.6	Y97 L98 M99	R95-Y97 PolarHBondContact O-N 3.19Å; R95-L98 HydrophobicContact CB-CB 4.37Å; R95-L98 PolarHBondContact O-N 2.86Å; R95-M99 PolarHBondContact O-N 2.93Å; R95-M99 VanDerWaalsContact O-N 3.16Å
96	Y	52.9	Low	58	Low	134 Å²	134	113.2 Å²	113.2	53%	0.525	53%	0.531	S	S	.	.	H	α-helix	trans	-39.5	-42.8	171.5	-153.4	-88.3	0	0	0	115	M99 M153	Y96-M99 WeakPolarHBondContact O-CB 3.22Å; Y96-M99 PolarHBondContact O-N 3.05Å; Y96-M153 HydrophobicContact CD2-CE 4.21Å; Y96-M153 HydrophobicContact CE2-CE 3.24Å; Y96-M153 HydrophobicContact CE2-SD 4.06Å; Y96-M153 WeakPolarHBondContact OH-CE 3.36Å
97	Y	53.5	Low	56.4	Low	206 Å²	206	116.4 Å²	116.4	81%	0.808	56%	0.564	S	S	*	*	H	α-helix	trans	-73.8	-39.9	-178.8	-77.5	-80	0	0	0	114.2	R95 M99	R95-Y97 PolarHBondContact O-N 3.19Å; Y97-M99 PolarHBondContact O-N 2.83Å
98	L	51.1	Low	55.7	Low	106 Å²	106	117.5 Å²	117.5	56%	0.555	57%	0.569	S	S	*	*	H	α-helix	trans	-67.4	-31	176.3	-135.9	77.9	0	0	0	110	R95 L101 I102	R95-L98 HydrophobicContact CB-CB 4.37Å; R95-L98 PolarHBondContact O-N 2.86Å; L98-L101 PolarHBondContact O-N 3.18Å; L98-I102 WeakPolarHBondContact O-CG1 3.48Å; L98-I102 PolarHBondContact O-N 3.26Å
99	M	55.8	Low	55.9	Low	19 Å²	19	119.1 Å²	119.1	9%	0.094	58%	0.576	C	S	.	*	H	α-helix	trans	-65.5	-38.9	-177.4	-156.5	94.1	73.2	0	0	113.8	L87 R95 Y96 Y97 L101 I102 L103 M108	L87-M99 HydrophobicContact CD2-CG 4.26Å; R95-M99 PolarHBondContact O-N 2.93Å; R95-M99 VanDerWaalsContact O-N 3.16Å; Y96-M99 WeakPolarHBondContact O-CB 3.22Å; Y96-M99 PolarHBondContact O-N 3.05Å; Y97-M99 PolarHBondContact O-N 2.83Å; M99-L101 PolarHBondContact O-N 3.44Å; M99-I102 PolarHBondContact O-N 3.32Å; M99-I102 VanDerWaalsContact O-N 3.08Å; M99-L103 HydrophobicContact CG-CD1 4.48Å; M99-L103 HydrophobicContact CG-CG 4.35Å; M99-L103 WeakPolarHBondContact O-CB 3.11Å; M99-L103 VanDerWaalsContact O-CG 3.31Å; M99-L103 WeakPolarHBondContact O-CG 3.41Å; M99-L103 PolarHBondContact O-N 3.1Å; M99-M108 HydrophobicContact CG-CE 3.8Å; M99-M108 HydrophobicContact SD-CE 3.87Å
100	R	54.9	Low	56.9	Low	202 Å²	202	117.1 Å²	117.1	76%	0.762	55%	0.554	S	S	*	*	H	α-helix	trans	-59.5	-34.8	179.5	-170.2	177.9	-177.2	-127.1	1.1	112.1
101	L	52.9	Low	58.5	Low	125 Å²	125	111.7 Å²	111.7	65%	0.654	53%	0.534	S	S	*	.	H	α-helix	trans	-71.9	-43.6	174.7	-64.8	173.3	0	0	0	110.9	L98 M99 L103 L104	L98-L101 PolarHBondContact O-N 3.18Å; M99-L101 PolarHBondContact O-N 3.44Å; L101-L103 PolarHBondContact O-N 3.04Å; L101-L104 PolarHBondContact O-N 2.86Å
102	I	53.6	Low	60.5	Low	54 Å²	54	107 Å²	107	28%	0.277	52%	0.516	S	S	.	.	H	α-helix	trans	-67.9	-32.7	-179.5	-62.8	167.7	0	0	0	112.6	L98 M99 L104 E105 N106 M108	L98-I102 WeakPolarHBondContact O-CG1 3.48Å; L98-I102 PolarHBondContact O-N 3.26Å; M99-I102 PolarHBondContact O-N 3.32Å; M99-I102 VanDerWaalsContact O-N 3.08Å; I102-L104 PolarHBondContact O-N 3.47Å; I102-E105 PolarHBondContact O-N 3.32Å; I102-E105 VanDerWaalsContact O-N 3.11Å; I102-N106 HydrophobicContact CG2-CB 4.03Å; I102-N106 WeakPolarHBondContact CG2-ND2 3.36Å; I102-N106 PolarHBondContact O-N 3.4Å; I102-M108 HydrophobicContact CB-CE 4.2Å; I102-M108 HydrophobicContact CG2-CE 3.81Å; I102-M108 HydrophobicContact CG2-SD 3.94Å
103	L	53.1	Low	62.5	Low	36 Å²	36	104.4 Å²	104.4	19%	0.188	50%	0.502	C	S	.	.	H	α-helix	trans	-56.4	-37.3	179.8	-84.2	168.1	0	0	0	112.6	L87 M99 L101 M108 L109 M153	L87-L103 HydrophobicContact CB-CD2 4.31Å; L87-L103 HydrophobicContact CD1-CD2 3.71Å; L87-L103 HydrophobicContact CD2-CD2 4.24Å; L87-L103 HydrophobicContact CG-CD2 4.3Å; M99-L103 HydrophobicContact CG-CD1 4.48Å; M99-L103 HydrophobicContact CG-CG 4.35Å; M99-L103 WeakPolarHBondContact O-CB 3.11Å; M99-L103 VanDerWaalsContact O-CG 3.31Å; M99-L103 WeakPolarHBondContact O-CG 3.41Å; M99-L103 PolarHBondContact O-N 3.1Å; L101-L103 PolarHBondContact O-N 3.04Å; L103-M108 HydrophobicContact CB-CE 4.25Å; L103-M108 HydrophobicContact CD2-CB 4.06Å; L103-M108 HydrophobicContact CD2-CE 3.52Å; L103-M108 HydrophobicContact CG-CE 3.57Å; L103-L109 HydrophobicContact CD2-CD2 4.19Å; L103-M153 HydrophobicContact CD1-CB 4.3Å
104	L	51.6	Low	64.6	Low	154 Å²	154	103.8 Å²	103.8	81%	0.806	49%	0.491	S	S	*	.	H	α-helix	trans	-75	-26.9	-179.4	-75.4	157.8	0	0	0	112.4	L101 I102	L101-L104 PolarHBondContact O-N 2.86Å; I102-L104 PolarHBondContact O-N 3.47Å
105	E	51.2	Low	66.8	Low	163 Å²	163	98.8 Å²	98.8	76%	0.762	48%	0.475	S	S	*	.	H	α-helix	trans	-93.8	-37.6	-177.8	-80.1	-179.4	158.2	0	0	113.8	I102	I102-E105 PolarHBondContact O-N 3.32Å; I102-E105 VanDerWaalsContact O-N 3.11Å
106	N	53.1	Low	68.8	Low	108 Å²	108	90.3 Å²	90.3	58%	0.578	45%	0.446	S	S	*	.	S	Bend	trans	-111.3	14.7	-159.7	-71.3	-16.4	0	0	0	116.3	I102 M108	I102-N106 HydrophobicContact CG2-CB 4.03Å; I102-N106 WeakPolarHBondContact CG2-ND2 3.36Å; I102-N106 PolarHBondContact O-N 3.4Å; N106-M108 HydrophobicContact CB-CG 4.25Å; N106-M108 PolarHBondContact O-N 2.98Å
107	G	56.4	Low	70.8	Confident	68 Å²	68	88 Å²	88	70%	0.701	44%	0.44	S	S	*	.			trans	60.5	40.3	170	0	0	0	0	0	114.3
108	M	72.4	Confident	72.8	Confident	38 Å²	38	78.3 Å²	78.3	19%	0.187	40%	0.402	C	S	.	.			trans	-86.4	-11.1	-175.5	-48.4	-169.3	-66.6	0	0	114.1	L87 T88 M99 I102 L103 N106	L87-M108 HydrophobicContact CD1-CB 3.23Å; L87-M108 HydrophobicContact CD1-CE 4.08Å; L87-M108 HydrophobicContact CD1-CG 4.34Å; L87-M108 VanDerWaalsContact CD1-O 3.28Å; L87-M108 WeakPolarHBondContact CD1-O 3.44Å; L87-M108 HydrophobicContact CD1-SD 4.32Å; T88-M108 PolarHBondContact N-O 3.39Å; M99-M108 HydrophobicContact CG-CE 3.8Å; M99-M108 HydrophobicContact SD-CE 3.87Å; I102-M108 HydrophobicContact CB-CE 4.2Å; I102-M108 HydrophobicContact CG2-CE 3.81Å; I102-M108 HydrophobicContact CG2-SD 3.94Å; L103-M108 HydrophobicContact CB-CE 4.25Å; L103-M108 HydrophobicContact CD2-CB 4.06Å; L103-M108 HydrophobicContact CD2-CE 3.52Å; L103-M108 HydrophobicContact CG-CE 3.57Å; N106-M108 HydrophobicContact CB-CG 4.25Å; N106-M108 PolarHBondContact O-N 2.98Å
109	L	84.1	Confident	74.8	Confident	83 Å²	83	78.8 Å²	78.8	44%	0.435	40%	0.396	S	S	.	.	B	Isolated β-bridge	trans	-67.7	147.5	170.1	-64	-177.6	0	0	0	109.8	L87 L103 T111	L87-L109 HydrophobicContact CB-CD2 4.47Å; L103-L109 HydrophobicContact CD2-CD2 4.19Å; L109-T111 PolarHBondContact O-N 2.86Å
110	S	88.5	Confident	76.7	Confident	4 Å²	4	81 Å²	81	3%	0.028	41%	0.408	C	S	.	.			trans	-68.5	128.5	175.3	-149.5	0	0	0	0	110.5	T16 W85 G86 M112 R114	T16-S110 PolarHBondContact OG1-O 3.39Å; W85-S110 WeakPolarHBondContact CB-O 3.43Å; W85-S110 PolarHBondContact O-N 2.73Å; G86-S110 PolarHBondContact O-N 2.64Å; G86-S110 VanDerWaalsContact O-N 3.08Å; S110-M112 VanDerWaalsContact CB-O 3.27Å; S110-M112 WeakPolarHBondContact CB-O 3.17Å; S110-M112 PolarHBondContact O-N 3.25Å; S110-M112 PolarHBondContact OG-O 3.03Å; S110-R114 PolarHBondContact OG-NE 2.79Å; S110-R114 PolarHBondContact OG-NH2 3.49Å; S110-R114 VanDerWaalsContact OG-NH2 3.16Å
111	T	89.1	Confident	78.5	Confident	70 Å²	70	74.2 Å²	74.2	43%	0.429	39%	0.385	S	S	.	.	S	Bend	trans	-79.9	-4.5	169.8	55.1	0	0	0	0	112.8	K15 T16 S17 L109	K15-T111 CarbonylContact C-O 3.56Å; K15-T111 WeakPolarHBondContact CA-O 3.39Å; T16-T111 PolarHBondContact N-O 2.86Å; T16-T111 WeakPolarHBondContact OG1-CA 3.29Å; S17-T111 VanDerWaalsContact OG-CB 3.29Å; S17-T111 WeakPolarHBondContact OG-CB 3.22Å; S17-T111 WeakPolarHBondContact OG-CG2 3.4Å; L109-T111 PolarHBondContact O-N 2.86Å
112	M	92	Very high	80.3	Confident	84 Å²	84	71.6 Å²	71.6	41%	0.414	38%	0.375	S	S	.	.	B	Isolated β-bridge	trans	-126.6	140.9	179.2	-66.6	-178.6	66	0	0	109.9	H14 K15 S110 R114	H14-M112 WeakPolarHBondContact NE2-CE 3.14Å; H14-M112 CarbonylContact O-C 3.54Å; H14-M112 WeakPolarHBondContact O-CA 3.16Å; K15-M112 HydrophobicContact CG-CG 4.31Å; S110-M112 VanDerWaalsContact CB-O 3.27Å; S110-M112 WeakPolarHBondContact CB-O 3.17Å; S110-M112 PolarHBondContact O-N 3.25Å; S110-M112 PolarHBondContact OG-O 3.03Å; M112-R114 PolarHBondContact O-N 3.31Å
113	L	94.2	Very high	82	Confident	18 Å²	18	72.3 Å²	72.3	9%	0.094	38%	0.378	C	S	.	.			trans	-62.6	128.4	177.2	-179.1	62.6	0	0	0	108.7	H14 A83 W85	H14-L113 PolarHBondContact O-N 3.17Å; A83-L113 HydrophobicContact CB-CD1 4.18Å; W85-L113 HydrophobicContact CD2-CB 4.48Å; W85-L113 HydrophobicContact CD2-CD1 3.95Å; W85-L113 HydrophobicContact CE3-CD1 3.95Å; W85-L113 HydrophobicContact CH2-CB 4.49Å; W85-L113 HydrophobicContact CH2-CD1 3.71Å; W85-L113 HydrophobicContact CH2-CD2 4.41Å; W85-L113 HydrophobicContact CH2-CG 4.43Å; W85-L113 HydrophobicContact CZ2-CB 3.68Å; W85-L113 HydrophobicContact CZ2-CD1 3.7Å; W85-L113 HydrophobicContact CZ2-CD2 4.26Å; W85-L113 HydrophobicContact CZ2-CG 4.07Å; W85-L113 HydrophobicContact CZ3-CD1 3.83Å
114	R	94.6	Very high	83.7	Confident	129 Å²	129	77.9 Å²	77.9	49%	0.487	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	151.5	174.6	-59.7	-164.2	179.5	160.9	9.6	110.1	A83 G84 T88 S110 M112	A83-R114 VanDerWaalsContact CA-O 3.23Å; A83-R114 WeakPolarHBondContact CA-O 3.26Å; G84-R114 PolarHBondContact N-O 3.02Å; G84-R114 PolarHBondContact O-N 3.01Å; T88-R114 PolarHBondContact OG1-NH1 3.19Å; S110-R114 PolarHBondContact OG-NE 2.79Å; S110-R114 PolarHBondContact OG-NH2 3.49Å; S110-R114 VanDerWaalsContact OG-NH2 3.16Å; M112-R114 PolarHBondContact O-N 3.31Å
115	V	95.9	Very high	85.4	Confident	66 Å²	66	71.4 Å²	71.4	40%	0.4	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	140.6	178.2	-175.2	0	0	0	0	108	F81 A82 A83	F81-V115 HydrophobicContact CB-CG1 3.87Å; F81-V115 HydrophobicContact CD1-CG1 4.08Å; F81-V115 HydrophobicContact CG-CG1 4.3Å; A82-V115 WeakPolarHBondContact O-CA 3.48Å; A83-V115 HydrophobicContact CB-CG2 4.1Å
116	V	94.6	Very high	87.2	Confident	30 Å²	30	63.7 Å²	63.7	18%	0.182	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	136.5	179.1	64.2	0	0	0	0	110.1	F81 A82 V118 K149	F81-V116 CarbonylContact C-O 3.5Å; F81-V116 VanDerWaalsContact CA-O 3.25Å; F81-V116 WeakPolarHBondContact CA-O 3.38Å; A82-V116 HydrophobicContact CB-CG1 4.14Å; A82-V116 PolarHBondContact N-O 3.04Å; A82-V116 PolarHBondContact O-N 3.3Å; V116-V118 HydrophobicContact CG1-CG1 4.27Å; V116-K149 HydrophobicContact CG2-CB 3.56Å; V116-K149 WeakPolarHBondContact CG2-O 3.33Å
117	E	94.7	Very high	88.4	Confident	86 Å²	86	64.1 Å²	64.1	40%	0.402	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	132.7	169.8	-174.7	-166.4	136.2	0	0	109.4	C80 F81 R119	C80-E117 CarbonylContact O-C 3.5Å; C80-E117 WeakPolarHBondContact O-CA 3.48Å; F81-E117 HydrophobicContact CD1-CB 4.23Å; F81-E117 HydrophobicContact CE1-CB 4.14Å; F81-E117 HydrophobicContact CE1-CG 4.48Å; E117-R119 IonicContact OE1-CZ 2.8Å; E117-R119 IonicContact OE1-NE 3.96Å; E117-R119 PolarHBondContact OE1-NE 3.18Å; E117-R119 IonicContact OE1-NH2 3.01Å; E117-R119 PolarHBondContact OE1-NH2 3.23Å; E117-R119 VanDerWaalsContact OE1-NH2 3.13Å
118	V	94.8	Very high	89.1	Confident	2 Å²	2	71.6 Å²	71.6	1%	0.012	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	142.3	174.1	-65.6	0	0	0	0	109.2	C80 A82 V116 T142 M160	C80-V118 HydrophobicContact CB-CG2 4.19Å; C80-V118 PolarHBondContact O-N 3.34Å; A82-V118 HydrophobicContact CB-CG1 4.21Å; V116-V118 HydrophobicContact CG1-CG1 4.27Å; V118-T142 HydrophobicContact CG2-CG2 4.33Å; V118-M160 HydrophobicContact CG2-CG 3.88Å; V118-M160 HydrophobicContact CG2-SD 3.91Å
119	R	94.2	Very high	89	Confident	115 Å²	115	71.3 Å²	71.3	43%	0.434	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	126.2	-177	-64	-179.6	-176.3	133.8	1.4	110.3	E117 T142 T143 R145	E117-R119 IonicContact OE1-CZ 2.8Å; E117-R119 IonicContact OE1-NE 3.96Å; E117-R119 PolarHBondContact OE1-NE 3.18Å; E117-R119 IonicContact OE1-NH2 3.01Å; E117-R119 PolarHBondContact OE1-NH2 3.23Å; E117-R119 VanDerWaalsContact OE1-NH2 3.13Å; R119-T142 CarbonylContact O-C 3.55Å; R119-T142 WeakPolarHBondContact O-CA 3.12Å; R119-T142 VanDerWaalsContact O-CB 3.24Å; R119-T142 WeakPolarHBondContact O-CB 3.18Å; R119-T143 HydrophobicContact CB-CG2 4.38Å; R119-T143 PolarHBondContact N-O 3.33Å; R119-T143 PolarHBondContact O-N 2.89Å; R119-R145 PolarHBondContact NH1-O 2.67Å
120	I	94.4	Very high	88.4	Confident	66 Å²	66	78.7 Å²	78.7	34%	0.338	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	140.5	173.7	-62.5	175	0	0	0	109	P74 I140 C141 T142	P74-I120 HydrophobicContact CB-CD1 4.07Å; P74-I120 HydrophobicContact CG-CD1 3.22Å; I120-I140 HydrophobicContact CD1-CG2 4.41Å; I120-I140 HydrophobicContact CG1-CG2 4.13Å; I120-I140 HydrophobicContact CG2-CG2 4.2Å; I120-C141 CarbonylContact C-O 3.58Å; I120-C141 WeakPolarHBondContact CA-O 3.09Å; I120-T142 HydrophobicContact CG1-CG2 4.24Å
121	Q	92.6	Very high	87.7	Confident	59 Å²	59	81.8 Å²	81.8	28%	0.276	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	150.3	-176.3	-68.7	-61.4	-61.9	0	0	110.4	A125 C141 T143 Y183	Q121-A125 HydrophobicContact CB-CB 3.92Å; Q121-C141 HydrophobicContact CB-CB 4.32Å; Q121-C141 PolarHBondContact N-O 3.43Å; Q121-T143 HydrophobicContact CG-CG2 3.6Å; Q121-Y183 HydrophobicContact CG-CD1 4.48Å; Q121-Y183 HydrophobicContact CG-CE1 4.13Å
122	P	90.6	Very high	87.3	Confident	70 Å²	70	78.7 Å²	78.7	46%	0.455	36%	0.357	S	S	.	.			trans	-63.3	149.8	174.9	27.6	-35.1	0	0	0	110.7	K124 A125	P122-K124 HydrophobicContact CB-CG 4.22Å; P122-K124 HydrophobicContact CG-CD 4.49Å; P122-K124 HydrophobicContact CG-CG 4.05Å; P122-K124 PolarHBondContact O-N 3.34Å; P122-A125 VanDerWaalsContact O-CB 3.29Å; P122-A125 WeakPolarHBondContact O-CB 3.19Å; P122-A125 PolarHBondContact O-N 2.72Å
123	E	88.8	Confident	87	Confident	69 Å²	69	77.5 Å²	77.5	32%	0.322	36%	0.355	S	S	.	.	H	α-helix	trans	-43.1	-41.6	-178.6	-165.8	-160.8	173.5	0	0	113.6	A125 C126 K127 F134 P136	E123-A125 PolarHBondContact O-N 2.94Å; E123-A125 VanDerWaalsContact O-N 3.1Å; E123-C126 PolarHBondContact O-N 3.37Å; E123-C126 VanDerWaalsContact O-N 3.08Å; E123-K127 HydrophobicContact CG-CG 4.37Å; E123-K127 PolarHBondContact O-N 3.46Å; E123-K127 VanDerWaalsContact O-N 3.1Å; E123-K127 WeakPolarHBondContact OE1-CE 3.4Å; E123-K127 IonicContact OE1-NZ 3.65Å; E123-K127 PolarHBondContact OE1-NZ 2.84Å; E123-K127 VanDerWaalsContact OE2-CE 3.25Å; E123-K127 WeakPolarHBondContact OE2-CE 3.42Å; E123-K127 IonicContact OE2-NZ 3.8Å; E123-K127 PolarHBondContact OE2-NZ 3.04Å; E123-F134 HydrophobicContact CB-CD1 4.37Å; E123-F134 HydrophobicContact CB-CE1 4.15Å; E123-F134 HydrophobicContact CG-CD1 3.4Å; E123-F134 HydrophobicContact CG-CE1 3.56Å; E123-P136 HydrophobicContact CG-CB 3.99Å; E123-P136 HydrophobicContact CG-CG 4.08Å; E123-P136 VanDerWaalsContact OE1-CD 3.3Å; E123-P136 WeakPolarHBondContact OE1-CD 3.3Å; E123-P136 WeakPolarHBondContact OE1-CG 3.45Å
124	K	89.2	Confident	86.8	Confident	153 Å²	153	77.7 Å²	77.7	67%	0.665	36%	0.356	S	S	*	.	H	α-helix	trans	-56.3	-27	-179.5	69.2	-176.1	180	-175.9	0	114.1	P122	P122-K124 HydrophobicContact CB-CG 4.22Å; P122-K124 HydrophobicContact CG-CD 4.49Å; P122-K124 HydrophobicContact CG-CG 4.05Å; P122-K124 PolarHBondContact O-N 3.34Å
125	A	87.6	Confident	86.7	Confident	19 Å²	19	74.7 Å²	74.7	16%	0.157	35%	0.349	C	S	.	.	H	α-helix	trans	-70.3	-40.2	179.1	0	0	0	0	0	111.4	Q121 P122 E123 H129 Y183	Q121-A125 HydrophobicContact CB-CB 3.92Å; P122-A125 VanDerWaalsContact O-CB 3.29Å; P122-A125 WeakPolarHBondContact O-CB 3.19Å; P122-A125 PolarHBondContact O-N 2.72Å; E123-A125 PolarHBondContact O-N 2.94Å; E123-A125 VanDerWaalsContact O-N 3.1Å; A125-H129 PolarHBondContact O-CE1 2.89Å; A125-Y183 HydrophobicContact CB-CD1 4.17Å; A125-Y183 HydrophobicContact CB-CE1 3.63Å
126	C	88.3	Confident	86.5	Confident	1 Å²	1	74.6 Å²	74.6	1%	0.007	35%	0.35	C	S	.	.	H	α-helix	trans	-89.1	-15.8	179.5	-76.5	0	0	0	0	114.4	E123 R128 H129 F134 C141 V185	E123-C126 PolarHBondContact O-N 3.37Å; E123-C126 VanDerWaalsContact O-N 3.08Å; C126-R128 PolarHBondContact O-N 2.96Å; C126-R128 VanDerWaalsContact O-N 3.11Å; C126-H129 WeakPolarHBondContact CA-ND1 3.47Å; C126-H129 PolarHBondContact O-N 2.8Å; C126-H129 PolarHBondContact O-ND1 2.88Å; C126-F134 HydrophobicContact CB-CB 4.33Å; C126-F134 HydrophobicContact CB-CD2 3.43Å; C126-F134 VanDerWaalsContact CB-CD2 3.43Å; C126-F134 HydrophobicContact CB-CE2 3.82Å; C126-F134 HydrophobicContact CB-CG 3.87Å; C126-C141 HydrophobicContact CB-CB 3.68Å; C126-C141 WeakPolarHBondContact CB-SG 3.39Å; C126-C141 PolarHBondContact N-SG 3.3Å; C126-C141 VanDerWaalsContact SG-CA 3.6Å; C126-C141 WeakPolarHBondContact SG-CB 3.12Å; C126-C141 CovalentContact SG-SG 2.02Å; C126-C141 PolarHBondContact SG-SG 3.37Å; C126-V185 HydrophobicContact CB-CG2 4.15Å
127	K	79.8	Confident	86.4	Confident	116 Å²	116	80 Å²	80	50%	0.504	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-26	179.7	-83.1	-174	-176	172.9	0	115.6	E123 H129	E123-K127 HydrophobicContact CG-CG 4.37Å; E123-K127 PolarHBondContact O-N 3.46Å; E123-K127 VanDerWaalsContact O-N 3.1Å; E123-K127 WeakPolarHBondContact OE1-CE 3.4Å; E123-K127 IonicContact OE1-NZ 3.65Å; E123-K127 PolarHBondContact OE1-NZ 2.84Å; E123-K127 VanDerWaalsContact OE2-CE 3.25Å; E123-K127 WeakPolarHBondContact OE2-CE 3.42Å; E123-K127 IonicContact OE2-NZ 3.8Å; E123-K127 PolarHBondContact OE2-NZ 3.04Å; K127-H129 VanDerWaalsContact C-N 3.3Å; K127-H129 PolarHBondContact O-N 3.15Å
128	R	70.7	Confident	86.4	Confident	226 Å²	226	76.4 Å²	76.4	85%	0.853	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-4.8	-173.9	-63.3	-177	-173.7	167.7	1.1	114.1	C126	C126-R128 PolarHBondContact O-N 2.96Å; C126-R128 VanDerWaalsContact O-N 3.11Å
129	H	70.9	Confident	86.4	Confident	31 Å²	31	77 Å²	77	14%	0.144	36%	0.358	C	S	.	.			trans	-79.7	144.7	-176.9	-60.7	85.9	0	0	0	111.7	A125 C126 K127 W176 E178 Y183	A125-H129 PolarHBondContact O-CE1 2.89Å; C126-H129 WeakPolarHBondContact CA-ND1 3.47Å; C126-H129 PolarHBondContact O-N 2.8Å; C126-H129 PolarHBondContact O-ND1 2.88Å; K127-H129 VanDerWaalsContact C-N 3.3Å; K127-H129 PolarHBondContact O-N 3.15Å; H129-W176 HydrophobicContact CB-CH2 4.18Å; H129-W176 HydrophobicContact CB-CZ3 3.86Å; H129-E178 VanDerWaalsContact CA-OE1 3.27Å; H129-E178 WeakPolarHBondContact CA-OE1 3.24Å; H129-E178 HydrophobicContact CB-CG 4.46Å; H129-E178 WeakPolarHBondContact CB-OE1 3.25Å; H129-E178 IonicContact CD2-OE1 3.12Å; H129-E178 IonicContact CD2-OE2 2.67Å; H129-E178 IonicContact CG-OE1 3.26Å; H129-Y183 AromaticContact CE1-CD2 3.83Å; H129-Y183 AromaticContact CE1-CG 3.81Å; H129-Y183 AromaticContact NE2-CD2 3.81Å
130	R	70.8	Confident	86.4	Confident	239 Å²	239	72.3 Å²	72.3	90%	0.902	34%	0.341	S	S	*	.	S	Bend	trans	-89.3	-13.5	-174.2	-63.3	178.5	175	169	-1.3	113.4	E178	R130-E178 PolarHBondContact N-OE1 3.08Å
131	V	74.3	Confident	86.4	Confident	68 Å²	68	69.3 Å²	69.3	41%	0.412	33%	0.326	S	S	.	.	S	Bend	trans	-67.1	-52.8	-174.5	-179.4	0	0	0	0	111.9	I43 W176 E178	I43-V131 HydrophobicContact CD1-CG1 4.06Å; V131-W176 HydrophobicContact CB-CD2 4.3Å; V131-W176 HydrophobicContact CB-CE3 3.68Å; V131-W176 HydrophobicContact CB-CZ3 3.88Å; V131-W176 HydrophobicContact CG1-CB 4.28Å; V131-W176 HydrophobicContact CG1-CD2 4.04Å; V131-W176 HydrophobicContact CG1-CE3 3.85Å; V131-W176 HydrophobicContact CG1-CG 4.24Å; V131-W176 HydrophobicContact CG2-CE3 4.14Å; V131-W176 HydrophobicContact CG2-CZ3 4.38Å; V131-E178 HydrophobicContact CG2-CG 3.48Å; V131-E178 VanDerWaalsContact CG2-CG 3.48Å
132	S	79.8	Confident	86.5	Confident	5 Å²	5	66.5 Å²	66.5	4%	0.035	31%	0.313	C	S	.	.	S	Bend	trans	-155.7	145.5	-178.9	-173.3	0	0	0	0	108.8	R42 I43 F134 W176	R42-S132 WeakPolarHBondContact CB-OG 3.47Å; I43-S132 PolarHBondContact N-OG 3.44Å; S132-F134 PolarHBondContact O-N 2.85Å; S132-W176 WeakPolarHBondContact O-CH2 3.3Å
133	P	85.9	Confident	86.6	Confident	59 Å²	59	63.5 Å²	63.5	38%	0.383	29%	0.293	S	S	.	.			trans	-60.5	132.1	170.8	-16.7	29.2	0	0	0	109.9	R42 N135	R42-P133 HydrophobicContact CB-CG 4.46Å; R42-P133 VanDerWaalsContact CD-CD 3.42Å; R42-P133 VanDerWaalsContact CD-CG 3.47Å; R42-P133 HydrophobicContact CG-CG 4.17Å; R42-P133 VanDerWaalsContact CZ-CG 3.48Å; P133-N135 PolarHBondContact O-N 2.83Å
134	F	90.6	Very high	86.7	Confident	22 Å²	22	60.5 Å²	60.5	10%	0.096	28%	0.281	C	S	.	.			trans	-71.7	128.3	174.9	-170.7	-92.7	0	0	0	110.1	E123 C126 S132 P136 M139 C141 V185	E123-F134 HydrophobicContact CB-CD1 4.37Å; E123-F134 HydrophobicContact CB-CE1 4.15Å; E123-F134 HydrophobicContact CG-CD1 3.4Å; E123-F134 HydrophobicContact CG-CE1 3.56Å; C126-F134 HydrophobicContact CB-CB 4.33Å; C126-F134 HydrophobicContact CB-CD2 3.43Å; C126-F134 VanDerWaalsContact CB-CD2 3.43Å; C126-F134 HydrophobicContact CB-CE2 3.82Å; C126-F134 HydrophobicContact CB-CG 3.87Å; S132-F134 PolarHBondContact O-N 2.85Å; F134-P136 HydrophobicContact CE1-CB 4.01Å; F134-M139 HydrophobicContact CD2-CB 4.06Å; F134-M139 HydrophobicContact CD2-SD 4.22Å; F134-M139 HydrophobicContact CE2-CB 3.62Å; F134-M139 HydrophobicContact CZ-CB 3.95Å; F134-M139 VanDerWaalsContact CZ-O 3.3Å; F134-M139 WeakPolarHBondContact CZ-O 3.23Å; F134-C141 HydrophobicContact CE2-CB 3.67Å; F134-C141 HydrophobicContact CZ-CB 3.7Å; F134-V185 HydrophobicContact CD2-CG1 4.18Å; F134-V185 HydrophobicContact CD2-CG2 3.91Å; F134-V185 HydrophobicContact CE2-CG1 4.03Å; F134-V185 HydrophobicContact CE2-CG2 4.04Å
135	N	92	Very high	86.7	Confident	67 Å²	67	58.2 Å²	58.2	36%	0.358	27%	0.268	S	S	.	.			trans	-116.7	108	172.2	178	-5.4	0	0	0	109.2	P133 K137 T138 M139	P133-N135 PolarHBondContact O-N 2.83Å; N135-K137 PolarHBondContact O-N 3.05Å; N135-K137 VanDerWaalsContact O-N 3.1Å; N135-K137 WeakPolarHBondContact OD1-CB 3.45Å; N135-K137 PolarHBondContact OD1-N 3.3Å; N135-K137 VanDerWaalsContact OD1-N 3.11Å; N135-T138 PolarHBondContact ND2-OG1 2.8Å; N135-T138 PolarHBondContact O-N 2.94Å; N135-T138 VanDerWaalsContact O-N 3.09Å; N135-M139 PolarHBondContact N-SD 2.95Å; N135-M139 VanDerWaalsContact O-CB 3.26Å; N135-M139 WeakPolarHBondContact O-CB 3.4Å; N135-M139 PolarHBondContact O-N 3.02Å
136	P	92.2	Very high	86.8	Confident	64 Å²	64	62.5 Å²	62.5	42%	0.416	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.4	-173.7	24.9	-34.3	0	0	0	113.8	E123 F134	E123-P136 HydrophobicContact CG-CB 3.99Å; E123-P136 HydrophobicContact CG-CG 4.08Å; E123-P136 VanDerWaalsContact OE1-CD 3.3Å; E123-P136 WeakPolarHBondContact OE1-CD 3.3Å; E123-P136 WeakPolarHBondContact OE1-CG 3.45Å; F134-P136 HydrophobicContact CE1-CB 4.01Å
137	K	92.8	Very high	86.7	Confident	142 Å²	142	66.7 Å²	66.7	62%	0.617	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-44.8	176	-64.3	-175	175.4	-174.1	0	111.2	N135 N188 Y191	N135-K137 PolarHBondContact O-N 3.05Å; N135-K137 VanDerWaalsContact O-N 3.1Å; N135-K137 WeakPolarHBondContact OD1-CB 3.45Å; N135-K137 PolarHBondContact OD1-N 3.3Å; N135-K137 VanDerWaalsContact OD1-N 3.11Å; K137-N188 PolarHBondContact O-ND2 3.46Å; K137-Y191 HydrophobicContact CB-CD2 4.34Å; K137-Y191 HydrophobicContact CB-CE2 4.34Å; K137-Y191 VanDerWaalsContact O-CB 3.29Å; K137-Y191 WeakPolarHBondContact O-CB 3.02Å
138	T	93.5	Very high	87	Confident	11 Å²	11	66.8 Å²	66.8	7%	0.067	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-6.6	-171	60.3	0	0	0	0	113.7	N135 N188 Y191 Y192	N135-T138 PolarHBondContact ND2-OG1 2.8Å; N135-T138 PolarHBondContact O-N 2.94Å; N135-T138 VanDerWaalsContact O-N 3.09Å; T138-N188 PolarHBondContact O-N 3.05Å; T138-Y191 HydrophobicContact CG2-CD1 3.82Å; T138-Y191 HydrophobicContact CG2-CE1 3.6Å; T138-Y191 HydrophobicContact CG2-CG 4.38Å; T138-Y192 WeakPolarHBondContact CB-OH 3.05Å
139	M	94.7	Very high	87.9	Confident	15 Å²	15	62.5 Å²	62.5	7%	0.074	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	142.6	-171.6	-61.3	176	-176.5	0	0	111.6	I43 F134 N135 W176 V185 F186	I43-M139 WeakPolarHBondContact O-CE 3.36Å; F134-M139 HydrophobicContact CD2-CB 4.06Å; F134-M139 HydrophobicContact CD2-SD 4.22Å; F134-M139 HydrophobicContact CE2-CB 3.62Å; F134-M139 HydrophobicContact CZ-CB 3.95Å; F134-M139 VanDerWaalsContact CZ-O 3.3Å; F134-M139 WeakPolarHBondContact CZ-O 3.23Å; N135-M139 PolarHBondContact N-SD 2.95Å; N135-M139 VanDerWaalsContact O-CB 3.26Å; N135-M139 WeakPolarHBondContact O-CB 3.4Å; N135-M139 PolarHBondContact O-N 3.02Å; M139-W176 HydrophobicContact SD-CZ2 4.19Å; M139-V185 HydrophobicContact CB-CG1 3.75Å; M139-V185 HydrophobicContact CG-CG1 3.95Å; M139-V185 HydrophobicContact SD-CG1 3.92Å; M139-F186 CarbonylContact C-O 3.38Å; M139-F186 VanDerWaalsContact CA-O 3.26Å; M139-F186 WeakPolarHBondContact CA-O 3.32Å
140	I	95.1	Very high	88.9	Confident	17 Å²	17	62.1 Å²	62.1	9%	0.087	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	129.2	172	-58.5	174.6	0	0	0	108	I120 T142 M160 F171 V185 F186 N188	I120-I140 HydrophobicContact CD1-CG2 4.41Å; I120-I140 HydrophobicContact CG1-CG2 4.13Å; I120-I140 HydrophobicContact CG2-CG2 4.2Å; I140-T142 HydrophobicContact CG2-CG2 4.09Å; I140-M160 HydrophobicContact CD1-CE 3.95Å; I140-M160 HydrophobicContact CG2-CE 4.17Å; I140-F171 HydrophobicContact CD1-CB 4.08Å; I140-F171 VanDerWaalsContact CD1-O 3.3Å; I140-F171 WeakPolarHBondContact CD1-O 3.5Å; I140-V185 WeakPolarHBondContact O-CA 3.26Å; I140-F186 HydrophobicContact CB-CB 4.37Å; I140-F186 PolarHBondContact N-O 3.11Å; I140-F186 PolarHBondContact O-N 2.87Å; I140-N188 HydrophobicContact CD1-CB 4.26Å; I140-N188 HydrophobicContact CG1-CB 3.87Å
141	C	94.5	Very high	89.9	Confident	2 Å²	2	51.2 Å²	51.2	1%	0.014	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	131.8	173.9	-175.3	0	0	0	0	108.9	I120 Q121 C126 F134	I120-C141 CarbonylContact C-O 3.58Å; I120-C141 WeakPolarHBondContact CA-O 3.09Å; Q121-C141 HydrophobicContact CB-CB 4.32Å; Q121-C141 PolarHBondContact N-O 3.43Å; C126-C141 HydrophobicContact CB-CB 3.68Å; C126-C141 WeakPolarHBondContact CB-SG 3.39Å; C126-C141 PolarHBondContact N-SG 3.3Å; C126-C141 VanDerWaalsContact SG-CA 3.6Å; C126-C141 WeakPolarHBondContact SG-CB 3.12Å; C126-C141 CovalentContact SG-SG 2.02Å; C126-C141 PolarHBondContact SG-SG 3.37Å; F134-C141 HydrophobicContact CE2-CB 3.67Å; F134-C141 HydrophobicContact CZ-CB 3.7Å
142	T	94.8	Very high	90.6	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	168.6	170.6	76.6	0	0	0	0	111.8	V118 R119 I120 I140 M160 Y183 T184 F186	V118-T142 HydrophobicContact CG2-CG2 4.33Å; R119-T142 CarbonylContact O-C 3.55Å; R119-T142 WeakPolarHBondContact O-CA 3.12Å; R119-T142 VanDerWaalsContact O-CB 3.24Å; R119-T142 WeakPolarHBondContact O-CB 3.18Å; I120-T142 HydrophobicContact CG1-CG2 4.24Å; I140-T142 HydrophobicContact CG2-CG2 4.09Å; T142-M160 HydrophobicContact CG2-SD 3.6Å; T142-M160 VanDerWaalsContact CG2-SD 3.6Å; T142-Y183 VanDerWaalsContact O-CA 3.27Å; T142-Y183 WeakPolarHBondContact O-CA 3.3Å; T142-T184 PolarHBondContact N-O 2.53Å; T142-T184 PolarHBondContact O-N 2.68Å; T142-T184 PolarHBondContact OG1-O 2.84Å; T142-F186 HydrophobicContact CG2-CD2 3.84Å; T142-F186 HydrophobicContact CG2-CE2 3.93Å; T142-F186 WeakPolarHBondContact OG1-CE2 3.43Å
143	T	93.2	Very high	91	Very high	7 Å²	7	50.6 Å²	50.6	4%	0.043	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	145.8	171.2	-168.7	0	0	0	0	112.2	R119 Q121 R145 D182	R119-T143 HydrophobicContact CB-CG2 4.38Å; R119-T143 PolarHBondContact N-O 3.33Å; R119-T143 PolarHBondContact O-N 2.89Å; Q121-T143 HydrophobicContact CG-CG2 3.6Å; T143-R145 HydrophobicContact CG2-CB 4.32Å; T143-R145 WeakPolarHBondContact OG1-CB 3.43Å; T143-R145 WeakPolarHBondContact OG1-CG 3.38Å; T143-R145 PolarHBondContact OG1-N 3.16Å; T143-R145 VanDerWaalsContact OG1-N 3.15Å; T143-D182 WeakPolarHBondContact CA-O 3Å; T143-D182 PolarHBondContact OG1-O 2.85Å
144	G	89.3	Confident	91	Very high	5 Å²	5	50.3 Å²	50.3	5%	0.052	27%	0.274	C	S	.	.			trans	-89.1	3	166.7	0	0	0	0	0	114.4	T147 K148 K149 G181 D182	G144-T147 PolarHBondContact O-N 3.38Å; G144-T147 PolarHBondContact O-OG1 3.11Å; G144-K148 PolarHBondContact O-N 3.31Å; G144-K149 WeakPolarHBondContact CA-O 3.3Å; G144-K149 PolarHBondContact O-N 3.03Å; G144-G181 VanDerWaalsContact CA-O 3.32Å; G144-G181 WeakPolarHBondContact CA-O 3.4Å; G144-D182 PolarHBondContact N-O 3.08Å; G144-D182 VanDerWaalsContact N-O 3.07Å
145	R	89.8	Confident	91.2	Very high	106 Å²	106	50 Å²	50	40%	0.4	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	148.3	-179.7	-70.9	-175.7	-176.2	-162.9	3.5	112	R119 T143 D182	R119-R145 PolarHBondContact NH1-O 2.67Å; T143-R145 HydrophobicContact CG2-CB 4.32Å; T143-R145 WeakPolarHBondContact OG1-CB 3.43Å; T143-R145 WeakPolarHBondContact OG1-CG 3.38Å; T143-R145 PolarHBondContact OG1-N 3.16Å; T143-R145 VanDerWaalsContact OG1-N 3.15Å; R145-D182 IonicContact CZ-OD1 3.62Å; R145-D182 VanDerWaalsContact CZ-OD1 3.26Å; R145-D182 IonicContact CZ-OD2 2.79Å; R145-D182 IonicContact NE-OD1 3.7Å; R145-D182 PolarHBondContact NE-OD1 3.14Å; R145-D182 IonicContact NE-OD2 3.13Å; R145-D182 VanDerWaalsContact NH2-CG 3.33Å; R145-D182 IonicContact NH2-OD1 2.72Å; R145-D182 PolarHBondContact NH2-OD1 2.9Å; R145-D182 VanDerWaalsContact NH2-OD1 3.12Å; R145-D182 IonicContact NH2-OD2 3.58Å; R145-D182 PolarHBondContact NH2-OD2 3.02Å
146	P	88.8	Confident	91.2	Very high	108 Å²	108	50.3 Å²	50.3	70%	0.701	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	cis	-85.7	-9.1	4.6	34.5	-36.2	0	0	0	114.4	K148	P146-K148 PolarHBondContact O-N 3.35Å
147	T	87.5	Confident	91.4	Very high	90 Å²	90	48.3 Å²	48.3	55%	0.552	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-14.3	-174.4	64.9	0	0	0	0	113.1	G144 K149	G144-T147 PolarHBondContact O-N 3.38Å; G144-T147 PolarHBondContact O-OG1 3.11Å; T147-K149 PolarHBondContact O-N 3.38Å; T147-K149 PolarHBondContact OG1-N 3.34Å
148	K	86.3	Confident	91.5	Very high	117 Å²	117	42 Å²	42	51%	0.509	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	33.2	-170.8	-69.7	-162.3	171.5	-158.9	0	112.1	G144 P146 E179 G181	G144-K148 PolarHBondContact O-N 3.31Å; P146-K148 PolarHBondContact O-N 3.35Å; K148-E179 IonicContact NZ-OE2 3.98Å; K148-G181 CarbonylContact C-O 3.46Å; K148-G181 VanDerWaalsContact CA-O 3.25Å; K148-G181 WeakPolarHBondContact CA-O 3.49Å; K148-G181 WeakPolarHBondContact O-CA 3.3Å
149	K	88.7	Confident	91.7	Very high	136 Å²	136	42 Å²	42	59%	0.591	25%	0.247	S	C	*	.			trans	-100.5	129.1	171.9	-62.5	-179.4	178.9	179.6	0	108.1	V116 G144 T147	V116-K149 HydrophobicContact CG2-CB 3.56Å; V116-K149 WeakPolarHBondContact CG2-O 3.33Å; G144-K149 WeakPolarHBondContact CA-O 3.3Å; G144-K149 PolarHBondContact O-N 3.03Å; T147-K149 PolarHBondContact O-N 3.38Å; T147-K149 PolarHBondContact OG1-N 3.34Å
150	G	91.4	Very high	91.9	Very high	24 Å²	24	41.2 Å²	41.2	25%	0.247	24%	0.244	C	C	.	.			trans	-174.4	-159.5	177.9	0	0	0	0	0	109.2
151	T	92.5	Very high	92	Very high	9 Å²	9	40.5 Å²	40.5	6%	0.055	24%	0.24	C	C	.	.			trans	-77.8	158.1	-179.9	58.5	0	0	0	0	112.3	A82 D155 V174 C180 G181 T184 F186	A82-T151 HydrophobicContact CB-CG2 3.51Å; T151-D155 WeakPolarHBondContact CA-OD2 3.37Å; T151-D155 HydrophobicContact CG2-CB 4.21Å; T151-V174 HydrophobicContact CG2-CG1 4.37Å; T151-V174 HydrophobicContact CG2-CG2 3.75Å; T151-C180 WeakPolarHBondContact O-CA 3.25Å; T151-G181 PolarHBondContact O-N 3.48Å; T151-T184 WeakPolarHBondContact OG1-CG2 3.26Å; T151-T184 PolarHBondContact OG1-OG1 2.79Å; T151-F186 HydrophobicContact CG2-CZ 4.11Å
152	C	89.5	Confident	92.1	Very high	13 Å²	13	40.4 Å²	40.4	9%	0.088	24%	0.239	C	C	.	.			trans	-143.9	-171.9	-179.4	-159	0	0	0	0	111.4	L87 G154 D155 C180	L87-C152 HydrophobicContact CB-CB 4.25Å; L87-C152 WeakPolarHBondContact O-CB 3.23Å; C152-G154 PolarHBondContact O-N 3.14Å; C152-D155 PolarHBondContact N-OD2 3.2Å; C152-D155 WeakPolarHBondContact O-CB 3.27Å; C152-D155 PolarHBondContact O-N 3.15Å; C152-C180 WeakPolarHBondContact CA-SG 3.21Å; C152-C180 HydrophobicContact CB-CB 3.56Å; C152-C180 WeakPolarHBondContact CB-SG 3.28Å; C152-C180 WeakPolarHBondContact SG-CB 3.47Å; C152-C180 CovalentContact SG-SG 2.02Å; C152-C180 PolarHBondContact SG-SG 2.93Å
153	M	87.1	Confident	92.1	Very high	47 Å²	47	45.1 Å²	45.1	23%	0.232	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	131	175.7	-64.7	86.6	-121	0	0	110.7	G86 L87 Y96 L103 C180	G86-M153 CarbonylContact C-O 3.42Å; G86-M153 VanDerWaalsContact CA-O 3.25Å; G86-M153 WeakPolarHBondContact CA-O 3.32Å; L87-M153 HydrophobicContact CB-CB 4.48Å; L87-M153 HydrophobicContact CD2-SD 4.3Å; L87-M153 PolarHBondContact N-O 3.35Å; Y96-M153 HydrophobicContact CD2-CE 4.21Å; Y96-M153 HydrophobicContact CE2-CE 3.24Å; Y96-M153 HydrophobicContact CE2-SD 4.06Å; Y96-M153 WeakPolarHBondContact OH-CE 3.36Å; L103-M153 HydrophobicContact CD1-CB 4.3Å; M153-C180 WeakPolarHBondContact CE-SG 3.27Å; M153-C180 VanDerWaalsContact SD-SG 3.66Å
154	G	87.5	Confident	92	Very high	54 Å²	54	45.5 Å²	45.5	56%	0.557	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	94	-10	-176.1	0	0	0	0	0	114.4	C152	C152-G154 PolarHBondContact O-N 3.14Å
155	D	92.9	Very high	92	Very high	16 Å²	16	54.3 Å²	54.3	9%	0.086	30%	0.297	C	S	.	.			trans	-89.2	-5.7	170.5	-63.3	-47.2	0	0	0	113	G84 W85 G86 T151 C152 G157 G158 V174	G84-D155 VanDerWaalsContact CA-OD1 3.27Å; G84-D155 WeakPolarHBondContact CA-OD1 3.46Å; W85-D155 PolarHBondContact N-OD1 2.89Å; G86-D155 VanDerWaalsContact CA-OD1 3.24Å; G86-D155 WeakPolarHBondContact CA-OD1 3.45Å; G86-D155 PolarHBondContact N-OD1 2.88Å; T151-D155 WeakPolarHBondContact CA-OD2 3.37Å; T151-D155 HydrophobicContact CG2-CB 4.21Å; C152-D155 PolarHBondContact N-OD2 3.2Å; C152-D155 WeakPolarHBondContact O-CB 3.27Å; C152-D155 PolarHBondContact O-N 3.15Å; D155-G157 PolarHBondContact O-N 3.06Å; D155-G158 WeakPolarHBondContact O-CA 3.29Å; D155-G158 PolarHBondContact O-N 3.4Å; D155-V174 HydrophobicContact CB-CG1 4.36Å; D155-V174 WeakPolarHBondContact O-CB 3.42Å; D155-V174 WeakPolarHBondContact O-CG2 3.33Å
156	S	93.4	Very high	92	Very high	72 Å²	72	56.7 Å²	56.7	50%	0.503	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	133.7	179.1	-64.6	0	0	0	0	112.1	G158	S156-G158 PolarHBondContact O-N 2.89Å
157	G	95.1	Very high	92.1	Very high	22 Å²	22	59.6 Å²	59.6	23%	0.227	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	-10	-172.7	0	0	0	0	0	114.6	D155 V174	D155-G157 PolarHBondContact O-N 3.06Å; G157-V174 PolarHBondContact N-O 3.25Å
158	G	96.1	Very high	92.5	Very high	9 Å²	9	57.8 Å²	57.8	9%	0.093	29%	0.294	C	S	.	.			trans	-66.1	160.2	175.2	0	0	0	0	0	112.8	D155 S156 V173 V174	D155-G158 WeakPolarHBondContact O-CA 3.29Å; D155-G158 PolarHBondContact O-N 3.4Å; S156-G158 PolarHBondContact O-N 2.89Å; G158-V173 CarbonylContact O-C 3.39Å; G158-V173 WeakPolarHBondContact O-CA 3.22Å; G158-V174 WeakPolarHBondContact O-CG2 3.29Å; G158-V174 PolarHBondContact O-N 2.98Å
159	P	97.9	Very high	93	Very high	11 Å²	11	52.8 Å²	52.8	7%	0.071	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	146.6	-176.5	32.1	-33.4	0	0	0	112.3	A82 A83 V161 Q170 F249	A82-P159 WeakPolarHBondContact CA-O 3.47Å; A83-P159 PolarHBondContact N-O 3.02Å; P159-V161 HydrophobicContact CB-CG1 4.32Å; P159-Q170 HydrophobicContact CB-CG 4.22Å; P159-F249 HydrophobicContact CG-CB 3.9Å; P159-F249 HydrophobicContact CG-CG 4.45Å
160	M	97.7	Very high	93.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	120.3	152.5	-178.2	-167.1	81.4	0	0	109	C80 F81 V118 I140 T142 Q170 F171 G172 F186	C80-M160 HydrophobicContact CB-CG 4.35Å; F81-M160 CarbonylContact O-C 3.52Å; F81-M160 VanDerWaalsContact O-CA 3.3Å; F81-M160 WeakPolarHBondContact O-CA 3.3Å; V118-M160 HydrophobicContact CG2-CG 3.88Å; V118-M160 HydrophobicContact CG2-SD 3.91Å; I140-M160 HydrophobicContact CD1-CE 3.95Å; I140-M160 HydrophobicContact CG2-CE 4.17Å; T142-M160 HydrophobicContact CG2-SD 3.6Å; T142-M160 VanDerWaalsContact CG2-SD 3.6Å; M160-Q170 CarbonylContact O-C 3.59Å; M160-Q170 WeakPolarHBondContact O-CA 3.4Å; M160-F171 HydrophobicContact CE-CB 3.89Å; M160-F171 PolarHBondContact O-N 3.35Å; M160-G172 PolarHBondContact N-O 3.3Å; M160-G172 PolarHBondContact O-N 2.92Å; M160-F186 HydrophobicContact CB-CD1 3.45Å; M160-F186 VanDerWaalsContact CB-CD1 3.45Å; M160-F186 HydrophobicContact CB-CE1 3.45Å; M160-F186 VanDerWaalsContact CB-CE1 3.45Å; M160-F186 HydrophobicContact CB-CG 4.21Å; M160-F186 HydrophobicContact CB-CZ 4.22Å; M160-F186 HydrophobicContact CG-CD1 4.3Å; M160-F186 HydrophobicContact CG-CE1 4.18Å; M160-F186 HydrophobicContact CG-CZ 4.5Å; M160-F186 HydrophobicContact SD-CD1 4.15Å; M160-F186 HydrophobicContact SD-CD2 4Å; M160-F186 HydrophobicContact SD-CE1 4.32Å; M160-F186 HydrophobicContact SD-CE2 4.2Å; M160-F186 HydrophobicContact SD-CG 3.99Å; M160-F186 HydrophobicContact SD-CZ 4.35Å
161	V	97.7	Very high	93.8	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.006	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	146.4	-178.6	-66.4	0	0	0	0	110.4	V65 C80 F81 P159 F168 V169 Q170 F249	V65-V161 HydrophobicContact CG2-CG1 3.83Å; C80-V161 CarbonylContact C-O 3.58Å; C80-V161 WeakPolarHBondContact CA-O 3.44Å; F81-V161 HydrophobicContact CB-CG2 4.17Å; F81-V161 PolarHBondContact N-O 2.91Å; F81-V161 PolarHBondContact O-N 3.45Å; P159-V161 HydrophobicContact CB-CG1 4.32Å; V161-F168 HydrophobicContact CB-CB 4.44Å; V161-F168 HydrophobicContact CB-CD1 4.32Å; V161-F168 HydrophobicContact CG2-CD1 4.03Å; V161-V169 CarbonylContact C-O 3.54Å; V161-V169 VanDerWaalsContact CA-O 3.23Å; V161-V169 WeakPolarHBondContact CA-O 3.38Å; V161-Q170 HydrophobicContact CG1-CB 4.1Å; V161-Q170 HydrophobicContact CG1-CG 4.4Å; V161-F249 HydrophobicContact CB-CE1 4.15Å; V161-F249 HydrophobicContact CB-CZ 4.11Å; V161-F249 HydrophobicContact CG1-CD1 3.95Å; V161-F249 HydrophobicContact CG1-CE1 3.59Å; V161-F249 HydrophobicContact CG1-CZ 4.04Å; V161-F249 HydrophobicContact CG2-CD2 4.32Å; V161-F249 HydrophobicContact CG2-CE1 3.91Å; V161-F249 HydrophobicContact CG2-CE2 3.64Å; V161-F249 HydrophobicContact CG2-CZ 3.44Å; V161-F249 VanDerWaalsContact CG2-CZ 3.44Å
162	C	97.3	Very high	94	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	143.1	172.9	-51.8	0	0	0	0	109.3	P74 M79 C80 V164 V169 F171	P74-C162 HydrophobicContact CB-CB 4.29Å; M79-C162 WeakPolarHBondContact O-CA 3.39Å; C80-C162 HydrophobicContact CB-CB 4.11Å; C80-C162 WeakPolarHBondContact CB-SG 3.32Å; C80-C162 WeakPolarHBondContact SG-CB 3.38Å; C80-C162 CovalentContact SG-SG 2.05Å; C80-C162 PolarHBondContact SG-SG 2.85Å; C162-V164 HydrophobicContact CB-CG2 4.32Å; C162-V164 PolarHBondContact O-N 2.76Å; C162-V169 PolarHBondContact N-O 2.94Å; C162-V169 PolarHBondContact O-N 3.05Å; C162-F171 HydrophobicContact CB-CD2 3.74Å; C162-F171 HydrophobicContact CB-CE2 4.07Å
163	Y	94	Very high	94.5	Very high	100 Å²	100	47.2 Å²	47.2	39%	0.392	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	111.5	177.2	-167.2	-106.4	0	0	0	110.1	M79 E166 F168	M79-Y163 PolarHBondContact O-N 2.05Å; Y163-E166 WeakPolarHBondContact OH-CA 3.48Å; Y163-F168 HydrophobicContact CD2-CD1 4.06Å; Y163-F168 HydrophobicContact CD2-CD2 4.11Å; Y163-F168 AromaticContact CD2-CE1 3.83Å; Y163-F168 HydrophobicContact CD2-CE1 3.83Å; Y163-F168 AromaticContact CD2-CE2 3.88Å; Y163-F168 HydrophobicContact CD2-CE2 3.88Å; Y163-F168 HydrophobicContact CD2-CG 4.19Å; Y163-F168 AromaticContact CD2-CZ 3.74Å; Y163-F168 HydrophobicContact CD2-CZ 3.74Å; Y163-F168 HydrophobicContact CE2-CE2 4.21Å; Y163-F168 HydrophobicContact CE2-CZ 4.4Å; Y163-F168 HydrophobicContact CG-CE1 4.35Å
164	V	91.6	Very high	94.9	Very high	15 Å²	15	45.3 Å²	45.3	9%	0.091	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	125.8	-175	-177.6	0	0	0	0	109.3	P75 C162 E166 R167 V169 F171	P75-V164 HydrophobicContact CG-CG1 4.46Å; C162-V164 HydrophobicContact CB-CG2 4.32Å; C162-V164 PolarHBondContact O-N 2.76Å; V164-E166 VanDerWaalsContact C-N 3.3Å; V164-E166 PolarHBondContact O-N 2.88Å; V164-R167 PolarHBondContact N-O 3.4Å; V164-R167 PolarHBondContact O-N 2.88Å; V164-R167 VanDerWaalsContact O-O 3.05Å; V164-V169 HydrophobicContact CB-CG2 4.27Å; V164-F171 HydrophobicContact CG2-CE2 3.89Å; V164-F171 HydrophobicContact CG2-CZ 4.42Å
165	K	88.8	Confident	95.2	Very high	191 Å²	191	43.3 Å²	43.3	83%	0.83	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.2	52	178.6	-62	178.4	179.4	180	0	112.4	R167	K165-R167 PolarHBondContact O-N 3.41Å
166	E	89.9	Confident	95.1	Very high	156 Å²	156	43.5 Å²	43.5	73%	0.729	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.4	18.3	178.8	-52.7	-179.1	128.6	0	0	115.5	Y163 V164	Y163-E166 WeakPolarHBondContact OH-CA 3.48Å; V164-E166 VanDerWaalsContact C-N 3.3Å; V164-E166 PolarHBondContact O-N 2.88Å
167	R	92.2	Very high	94.8	Very high	169 Å²	169	41.1 Å²	41.1	64%	0.638	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-136.6	145.8	-179.4	-60.9	-177.4	-177.4	-151.4	-1.4	111.5	V164 K165	V164-R167 PolarHBondContact N-O 3.4Å; V164-R167 PolarHBondContact O-N 2.88Å; V164-R167 VanDerWaalsContact O-O 3.05Å; K165-R167 PolarHBondContact O-N 3.41Å
168	F	95.4	Very high	94.2	Very high	52 Å²	52	43.5 Å²	43.5	23%	0.228	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	125	167.3	-71.8	-75	0	0	0	110.2	V65 C66 F81 V161 Y163 M247 F249	V65-F168 HydrophobicContact CG2-CB 4.36Å; V65-F168 WeakPolarHBondContact CG2-O 3.16Å; C66-F168 WeakPolarHBondContact CB-O 3.29Å; C66-F168 PolarHBondContact N-O 3.14Å; F81-F168 HydrophobicContact CD2-CE1 4.07Å; F81-F168 HydrophobicContact CE2-CE1 4.19Å; V161-F168 HydrophobicContact CB-CB 4.44Å; V161-F168 HydrophobicContact CB-CD1 4.32Å; V161-F168 HydrophobicContact CG2-CD1 4.03Å; Y163-F168 HydrophobicContact CD2-CD1 4.06Å; Y163-F168 HydrophobicContact CD2-CD2 4.11Å; Y163-F168 AromaticContact CD2-CE1 3.83Å; Y163-F168 HydrophobicContact CD2-CE1 3.83Å; Y163-F168 AromaticContact CD2-CE2 3.88Å; Y163-F168 HydrophobicContact CD2-CE2 3.88Å; Y163-F168 HydrophobicContact CD2-CG 4.19Å; Y163-F168 AromaticContact CD2-CZ 3.74Å; Y163-F168 HydrophobicContact CD2-CZ 3.74Å; Y163-F168 HydrophobicContact CE2-CE2 4.21Å; Y163-F168 HydrophobicContact CE2-CZ 4.4Å; Y163-F168 HydrophobicContact CG-CE1 4.35Å; F168-M247 HydrophobicContact CE2-CG 4.41Å; F168-M247 HydrophobicContact CZ-CG 4.27Å; F168-M247 HydrophobicContact CZ-SD 4.33Å; F168-F249 HydrophobicContact CB-CE1 4.21Å; F168-F249 HydrophobicContact CB-CZ 4.01Å; F168-F249 HydrophobicContact CD1-CZ 4.1Å; F168-F249 HydrophobicContact CD2-CZ 4.22Å; F168-F249 AromaticContact CG-CZ 3.85Å; F168-F249 HydrophobicContact CG-CZ 3.85Å
169	V	97.2	Very high	93.6	Very high	11 Å²	11	48.4 Å²	48.4	7%	0.067	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	129.3	178.3	-175.5	0	0	0	0	108.7	C66 P68 V161 C162 V164 F171	C66-V169 HydrophobicContact CB-CB 4.3Å; C66-V169 HydrophobicContact CB-CG1 4.37Å; C66-V169 HydrophobicContact CB-CG2 3.9Å; C66-V169 CarbonylContact O-C 3.58Å; C66-V169 WeakPolarHBondContact O-CA 3.15Å; P68-V169 HydrophobicContact CB-CG1 3.84Å; P68-V169 HydrophobicContact CG-CG1 4.35Å; V161-V169 CarbonylContact C-O 3.54Å; V161-V169 VanDerWaalsContact CA-O 3.23Å; V161-V169 WeakPolarHBondContact CA-O 3.38Å; C162-V169 PolarHBondContact N-O 2.94Å; C162-V169 PolarHBondContact O-N 3.05Å; V164-V169 HydrophobicContact CB-CG2 4.27Å; V169-F171 HydrophobicContact CB-CD2 4.03Å; V169-F171 HydrophobicContact CB-CE2 3.6Å; V169-F171 HydrophobicContact CB-CZ 4.35Å; V169-F171 HydrophobicContact CG1-CD2 4Å; V169-F171 HydrophobicContact CG1-CE2 3.62Å; V169-F171 HydrophobicContact CG1-CZ 3.97Å; V169-F171 HydrophobicContact CG2-CE2 4.46Å; V169-F171 WeakPolarHBondContact O-CD2 3.21Å; V169-F171 PolarHBondContact O-N 2.95Å
170	Q	97.8	Very high	93.1	Very high	43 Å²	43	49 Å²	49	20%	0.201	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	94.7	179.7	-173.9	-179.7	-13.9	0	0	110.8	V65 C66 P68 P159 M160 V161 G172 V189	V65-Q170 HydrophobicContact CG1-CB 3.9Å; V65-Q170 HydrophobicContact CG2-CB 4.05Å; C66-Q170 PolarHBondContact O-N 3.05Å; P68-Q170 WeakPolarHBondContact CD-O 3.33Å; P159-Q170 HydrophobicContact CB-CG 4.22Å; M160-Q170 CarbonylContact O-C 3.59Å; M160-Q170 WeakPolarHBondContact O-CA 3.4Å; V161-Q170 HydrophobicContact CG1-CB 4.1Å; V161-Q170 HydrophobicContact CG1-CG 4.4Å; Q170-G172 WeakPolarHBondContact CG-O 3.41Å; Q170-G172 PolarHBondContact NE2-O 2.95Å; Q170-V189 VanDerWaalsContact O-CB 3.3Å; Q170-V189 WeakPolarHBondContact O-CB 3.14Å; Q170-V189 WeakPolarHBondContact O-CG1 3.43Å
171	F	98.1	Very high	92.5	Very high	1 Å²	1	49 Å²	49	0%	0.004	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-24.3	177.3	-77.8	-83.7	0	0	0	113.4	P68 Q72 P74 I140 M160 C162 V164 V169 V189	P68-F171 HydrophobicContact CB-CD1 4.01Å; P68-F171 HydrophobicContact CB-CE1 3.74Å; P68-F171 HydrophobicContact CB-CZ 4.26Å; P68-F171 HydrophobicContact CG-CD1 4.29Å; P68-F171 HydrophobicContact CG-CE1 4.5Å; Q72-F171 HydrophobicContact CB-CE1 4.35Å; Q72-F171 HydrophobicContact CG-CE1 4.02Å; Q72-F171 HydrophobicContact CG-CZ 4.08Å; Q72-F171 WeakPolarHBondContact O-CE1 3.39Å; P74-F171 HydrophobicContact CB-CD1 4.35Å; P74-F171 HydrophobicContact CB-CD2 4.03Å; P74-F171 HydrophobicContact CB-CE1 4.21Å; P74-F171 HydrophobicContact CB-CE2 3.86Å; P74-F171 HydrophobicContact CB-CG 4.25Å; P74-F171 HydrophobicContact CB-CZ 3.95Å; P74-F171 HydrophobicContact CG-CD1 4.2Å; P74-F171 HydrophobicContact CG-CE1 4.38Å; P74-F171 HydrophobicContact CG-CG 4.27Å; I140-F171 HydrophobicContact CD1-CB 4.08Å; I140-F171 VanDerWaalsContact CD1-O 3.3Å; I140-F171 WeakPolarHBondContact CD1-O 3.5Å; M160-F171 HydrophobicContact CE-CB 3.89Å; M160-F171 PolarHBondContact O-N 3.35Å; C162-F171 HydrophobicContact CB-CD2 3.74Å; C162-F171 HydrophobicContact CB-CE2 4.07Å; V164-F171 HydrophobicContact CG2-CE2 3.89Å; V164-F171 HydrophobicContact CG2-CZ 4.42Å; V169-F171 HydrophobicContact CB-CD2 4.03Å; V169-F171 HydrophobicContact CB-CE2 3.6Å; V169-F171 HydrophobicContact CB-CZ 4.35Å; V169-F171 HydrophobicContact CG1-CD2 4Å; V169-F171 HydrophobicContact CG1-CE2 3.62Å; V169-F171 HydrophobicContact CG1-CZ 3.97Å; V169-F171 HydrophobicContact CG2-CE2 4.46Å; V169-F171 WeakPolarHBondContact O-CD2 3.21Å; V169-F171 PolarHBondContact O-N 2.95Å; F171-V189 WeakPolarHBondContact O-CB 3.28Å; F171-V189 PolarHBondContact O-N 3.32Å
172	G	97.8	Very high	92.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	155.4	-174.5	0	0	0	0	0	114.5	M160 Q170 T187	M160-G172 PolarHBondContact N-O 3.3Å; M160-G172 PolarHBondContact O-N 2.92Å; Q170-G172 WeakPolarHBondContact CG-O 3.41Å; Q170-G172 PolarHBondContact NE2-O 2.95Å; G172-T187 VanDerWaalsContact CA-O 3.32Å; G172-T187 WeakPolarHBondContact CA-O 3.18Å
173	V	98.1	Very high	91.8	Very high	21 Å²	21	52.1 Å²	52.1	13%	0.127	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	128.2	163.7	178.9	0	0	0	0	107.6	G158 S175 F186 T187 V189	G158-V173 CarbonylContact O-C 3.39Å; G158-V173 WeakPolarHBondContact O-CA 3.22Å; V173-S175 PolarHBondContact O-N 3.44Å; V173-S175 VanDerWaalsContact O-N 3.16Å; V173-F186 CarbonylContact O-C 3.58Å; V173-F186 WeakPolarHBondContact O-CA 3.5Å; V173-F186 WeakPolarHBondContact O-CB 3.04Å; V173-T187 PolarHBondContact N-O 3.16Å; V173-T187 PolarHBondContact O-N 2.68Å; V173-V189 HydrophobicContact CG2-CG2 3.87Å
174	V	96.3	Very high	91.8	Very high	7 Å²	7	47.5 Å²	47.5	4%	0.042	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	120.6	-180	-179.6	0	0	0	0	109	T151 D155 G157 G158 F186	T151-V174 HydrophobicContact CG2-CG1 4.37Å; T151-V174 HydrophobicContact CG2-CG2 3.75Å; D155-V174 HydrophobicContact CB-CG1 4.36Å; D155-V174 WeakPolarHBondContact O-CB 3.42Å; D155-V174 WeakPolarHBondContact O-CG2 3.33Å; G157-V174 PolarHBondContact N-O 3.25Å; G158-V174 WeakPolarHBondContact O-CG2 3.29Å; G158-V174 PolarHBondContact O-N 2.98Å; V174-F186 HydrophobicContact CB-CD1 4.42Å; V174-F186 HydrophobicContact CB-CE1 4.16Å; V174-F186 HydrophobicContact CG2-CD1 4.01Å; V174-F186 HydrophobicContact CG2-CE1 3.37Å; V174-F186 HydrophobicContact CG2-CZ 4.15Å
175	S	93.6	Very high	91.9	Very high	13 Å²	13	46.9 Å²	46.9	9%	0.091	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	-68.5	-174.9	-179.5	0	0	0	0	110.8	D46 V173 V185	D46-S175 WeakPolarHBondContact OD2-CB 3.38Å; D46-S175 PolarHBondContact OD2-OG 2.86Å; V173-S175 PolarHBondContact O-N 3.44Å; V173-S175 VanDerWaalsContact O-N 3.16Å; S175-V185 WeakPolarHBondContact CB-O 3.44Å; S175-V185 PolarHBondContact N-O 3.33Å; S175-V185 VanDerWaalsContact N-O 3.16Å
176	W	90.8	Very high	92.3	Very high	20 Å²	20	37.8 Å²	37.8	8%	0.076	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	163.2	-177.3	60.2	-93.6	0	0	0	113.5	I43 H129 V131 S132 M139 V185	I43-W176 HydrophobicContact CD1-CB 3.94Å; I43-W176 HydrophobicContact CD1-CG 3.81Å; H129-W176 HydrophobicContact CB-CH2 4.18Å; H129-W176 HydrophobicContact CB-CZ3 3.86Å; V131-W176 HydrophobicContact CB-CD2 4.3Å; V131-W176 HydrophobicContact CB-CE3 3.68Å; V131-W176 HydrophobicContact CB-CZ3 3.88Å; V131-W176 HydrophobicContact CG1-CB 4.28Å; V131-W176 HydrophobicContact CG1-CD2 4.04Å; V131-W176 HydrophobicContact CG1-CE3 3.85Å; V131-W176 HydrophobicContact CG1-CG 4.24Å; V131-W176 HydrophobicContact CG2-CE3 4.14Å; V131-W176 HydrophobicContact CG2-CZ3 4.38Å; S132-W176 WeakPolarHBondContact O-CH2 3.3Å; M139-W176 HydrophobicContact SD-CZ2 4.19Å; W176-V185 HydrophobicContact CD2-CB 3.81Å; W176-V185 HydrophobicContact CD2-CG1 4.35Å; W176-V185 HydrophobicContact CD2-CG2 4.13Å; W176-V185 HydrophobicContact CE3-CB 4.2Å; W176-V185 HydrophobicContact CE3-CG2 4.08Å; W176-V185 HydrophobicContact CG-CB 4.31Å; W176-V185 HydrophobicContact CH2-CB 4.22Å; W176-V185 HydrophobicContact CH2-CG2 3.53Å; W176-V185 HydrophobicContact CZ2-CB 3.81Å; W176-V185 HydrophobicContact CZ2-CG1 3.83Å; W176-V185 HydrophobicContact CZ2-CG2 3.55Å; W176-V185 HydrophobicContact CZ3-CB 4.38Å; W176-V185 HydrophobicContact CZ3-CG2 3.78Å; W176-V185 PolarHBondContact N-O 3.16Å; W176-V185 VanDerWaalsContact N-O 3.13Å; W176-V185 WeakPolarHBondContact O-CA 3.4Å; W176-V185 PolarHBondContact O-N 3.16Å
177	G	88.1	Confident	92.6	Very high	21 Å²	21	30.6 Å²	30.6	22%	0.216	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	165.5	174.4	0	0	0	0	0	109.4
178	E	81.1	Confident	92.8	Very high	72 Å²	72	23.7 Å²	23.7	34%	0.336	12%	0.121	S	C	.	.	S	Bend	trans	-91.2	-48.2	176.7	-73.9	-176.3	-175.9	0	0	112	H129 R130 V131	H129-E178 VanDerWaalsContact CA-OE1 3.27Å; H129-E178 WeakPolarHBondContact CA-OE1 3.24Å; H129-E178 HydrophobicContact CB-CG 4.46Å; H129-E178 WeakPolarHBondContact CB-OE1 3.25Å; H129-E178 IonicContact CD2-OE1 3.12Å; H129-E178 IonicContact CD2-OE2 2.67Å; H129-E178 IonicContact CG-OE1 3.26Å; R130-E178 PolarHBondContact N-OE1 3.08Å; V131-E178 HydrophobicContact CG2-CG 3.48Å; V131-E178 VanDerWaalsContact CG2-CG 3.48Å
179	E	83.8	Confident	92.9	Very high	112 Å²	112	21.4 Å²	21.4	52%	0.523	11%	0.112	S	C	.	.	S	Bend	trans	-122.7	132.9	-179.2	-64.9	-173.7	-176.5	0	0	109.5	K148 G181 D182	K148-E179 IonicContact NZ-OE2 3.98Å; E179-G181 PolarHBondContact O-N 3.05Å; E179-D182 HydrophobicContact CB-CB 3.92Å; E179-D182 PolarHBondContact O-N 3.08Å
180	C	87.1	Confident	92.9	Very high	23 Å²	23	20.9 Å²	20.9	16%	0.155	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	136.1	178.5	-59	0	0	0	0	111.1	I92 T151 C152 M153 D182	I92-C180 HydrophobicContact CD1-CB 3.56Å; T151-C180 WeakPolarHBondContact O-CA 3.25Å; C152-C180 WeakPolarHBondContact CA-SG 3.21Å; C152-C180 HydrophobicContact CB-CB 3.56Å; C152-C180 WeakPolarHBondContact CB-SG 3.28Å; C152-C180 WeakPolarHBondContact SG-CB 3.47Å; C152-C180 CovalentContact SG-SG 2.02Å; C152-C180 PolarHBondContact SG-SG 2.93Å; M153-C180 WeakPolarHBondContact CE-SG 3.27Å; M153-C180 VanDerWaalsContact SD-SG 3.66Å; C180-D182 PolarHBondContact O-N 3.32Å; C180-D182 VanDerWaalsContact O-N 3.14Å
181	G	85.3	Confident	92.9	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.01	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	0.6	-179.7	0	0	0	0	0	115.9	G144 K148 T151 E179	G144-G181 VanDerWaalsContact CA-O 3.32Å; G144-G181 WeakPolarHBondContact CA-O 3.4Å; K148-G181 CarbonylContact C-O 3.46Å; K148-G181 VanDerWaalsContact CA-O 3.25Å; K148-G181 WeakPolarHBondContact CA-O 3.49Å; K148-G181 WeakPolarHBondContact O-CA 3.3Å; T151-G181 PolarHBondContact O-N 3.48Å; E179-G181 PolarHBondContact O-N 3.05Å
182	D	88.7	Confident	92.9	Very high	16 Å²	16	23.3 Å²	23.3	9%	0.086	12%	0.117	C	C	.	.	S	Bend	trans	-85.3	-127.1	169.1	-160	-7.4	0	0	0	110.5	T143 G144 R145 E179 C180	T143-D182 WeakPolarHBondContact CA-O 3Å; T143-D182 PolarHBondContact OG1-O 2.85Å; G144-D182 PolarHBondContact N-O 3.08Å; G144-D182 VanDerWaalsContact N-O 3.07Å; R145-D182 IonicContact CZ-OD1 3.62Å; R145-D182 VanDerWaalsContact CZ-OD1 3.26Å; R145-D182 IonicContact CZ-OD2 2.79Å; R145-D182 IonicContact NE-OD1 3.7Å; R145-D182 PolarHBondContact NE-OD1 3.14Å; R145-D182 IonicContact NE-OD2 3.13Å; R145-D182 VanDerWaalsContact NH2-CG 3.33Å; R145-D182 IonicContact NH2-OD1 2.72Å; R145-D182 PolarHBondContact NH2-OD1 2.9Å; R145-D182 VanDerWaalsContact NH2-OD1 3.12Å; R145-D182 IonicContact NH2-OD2 3.58Å; R145-D182 PolarHBondContact NH2-OD2 3.02Å; E179-D182 HydrophobicContact CB-CB 3.92Å; E179-D182 PolarHBondContact O-N 3.08Å; C180-D182 PolarHBondContact O-N 3.32Å; C180-D182 VanDerWaalsContact O-N 3.14Å
183	Y	92	Very high	92.9	Very high	50 Å²	50	23.4 Å²	23.4	20%	0.196	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	129.6	170.9	-66.2	-78.8	0	0	0	110.3	Q121 A125 H129 T142	Q121-Y183 HydrophobicContact CG-CD1 4.48Å; Q121-Y183 HydrophobicContact CG-CE1 4.13Å; A125-Y183 HydrophobicContact CB-CD1 4.17Å; A125-Y183 HydrophobicContact CB-CE1 3.63Å; H129-Y183 AromaticContact CE1-CD2 3.83Å; H129-Y183 AromaticContact CE1-CG 3.81Å; H129-Y183 AromaticContact NE2-CD2 3.81Å; T142-Y183 VanDerWaalsContact O-CA 3.27Å; T142-Y183 WeakPolarHBondContact O-CA 3.3Å
184	T	93.2	Very high	92.8	Very high	4 Å²	4	25.6 Å²	25.6	3%	0.025	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	138.6	176.2	-60.3	0	0	0	0	109.1	T142 T151 F186	T142-T184 PolarHBondContact N-O 2.53Å; T142-T184 PolarHBondContact O-N 2.68Å; T142-T184 PolarHBondContact OG1-O 2.84Å; T151-T184 WeakPolarHBondContact OG1-CG2 3.26Å; T151-T184 PolarHBondContact OG1-OG1 2.79Å; T184-F186 HydrophobicContact CG2-CD2 3.91Å; T184-F186 HydrophobicContact CG2-CE2 3.28Å; T184-F186 HydrophobicContact CG2-CZ 3.7Å
185	V	94.7	Very high	92.8	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.012	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	127.9	174.8	178	0	0	0	0	109.9	C126 F134 M139 I140 S175 W176	C126-V185 HydrophobicContact CB-CG2 4.15Å; F134-V185 HydrophobicContact CD2-CG1 4.18Å; F134-V185 HydrophobicContact CD2-CG2 3.91Å; F134-V185 HydrophobicContact CE2-CG1 4.03Å; F134-V185 HydrophobicContact CE2-CG2 4.04Å; M139-V185 HydrophobicContact CB-CG1 3.75Å; M139-V185 HydrophobicContact CG-CG1 3.95Å; M139-V185 HydrophobicContact SD-CG1 3.92Å; I140-V185 WeakPolarHBondContact O-CA 3.26Å; S175-V185 WeakPolarHBondContact CB-O 3.44Å; S175-V185 PolarHBondContact N-O 3.33Å; S175-V185 VanDerWaalsContact N-O 3.16Å; W176-V185 HydrophobicContact CD2-CB 3.81Å; W176-V185 HydrophobicContact CD2-CG1 4.35Å; W176-V185 HydrophobicContact CD2-CG2 4.13Å; W176-V185 HydrophobicContact CE3-CB 4.2Å; W176-V185 HydrophobicContact CE3-CG2 4.08Å; W176-V185 HydrophobicContact CG-CB 4.31Å; W176-V185 HydrophobicContact CH2-CB 4.22Å; W176-V185 HydrophobicContact CH2-CG2 3.53Å; W176-V185 HydrophobicContact CZ2-CB 3.81Å; W176-V185 HydrophobicContact CZ2-CG1 3.83Å; W176-V185 HydrophobicContact CZ2-CG2 3.55Å; W176-V185 HydrophobicContact CZ3-CB 4.38Å; W176-V185 HydrophobicContact CZ3-CG2 3.78Å; W176-V185 PolarHBondContact N-O 3.16Å; W176-V185 VanDerWaalsContact N-O 3.13Å; W176-V185 WeakPolarHBondContact O-CA 3.4Å; W176-V185 PolarHBondContact O-N 3.16Å
186	F	96.1	Very high	93	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	149.3	175.9	-65	-103.3	0	0	0	109.6	A82 M139 I140 T142 T151 M160 V173 V174 T184	A82-F186 HydrophobicContact CB-CE1 4.29Å; A82-F186 HydrophobicContact CB-CZ 4.15Å; M139-F186 CarbonylContact C-O 3.38Å; M139-F186 VanDerWaalsContact CA-O 3.26Å; M139-F186 WeakPolarHBondContact CA-O 3.32Å; I140-F186 HydrophobicContact CB-CB 4.37Å; I140-F186 PolarHBondContact N-O 3.11Å; I140-F186 PolarHBondContact O-N 2.87Å; T142-F186 HydrophobicContact CG2-CD2 3.84Å; T142-F186 HydrophobicContact CG2-CE2 3.93Å; T142-F186 WeakPolarHBondContact OG1-CE2 3.43Å; T151-F186 HydrophobicContact CG2-CZ 4.11Å; M160-F186 HydrophobicContact CB-CD1 3.45Å; M160-F186 VanDerWaalsContact CB-CD1 3.45Å; M160-F186 HydrophobicContact CB-CE1 3.45Å; M160-F186 VanDerWaalsContact CB-CE1 3.45Å; M160-F186 HydrophobicContact CB-CG 4.21Å; M160-F186 HydrophobicContact CB-CZ 4.22Å; M160-F186 HydrophobicContact CG-CD1 4.3Å; M160-F186 HydrophobicContact CG-CE1 4.18Å; M160-F186 HydrophobicContact CG-CZ 4.5Å; M160-F186 HydrophobicContact SD-CD1 4.15Å; M160-F186 HydrophobicContact SD-CD2 4Å; M160-F186 HydrophobicContact SD-CE1 4.32Å; M160-F186 HydrophobicContact SD-CE2 4.2Å; M160-F186 HydrophobicContact SD-CG 3.99Å; M160-F186 HydrophobicContact SD-CZ 4.35Å; V173-F186 CarbonylContact O-C 3.58Å; V173-F186 WeakPolarHBondContact O-CA 3.5Å; V173-F186 WeakPolarHBondContact O-CB 3.04Å; V174-F186 HydrophobicContact CB-CD1 4.42Å; V174-F186 HydrophobicContact CB-CE1 4.16Å; V174-F186 HydrophobicContact CG2-CD1 4.01Å; V174-F186 HydrophobicContact CG2-CE1 3.37Å; V174-F186 HydrophobicContact CG2-CZ 4.15Å; T184-F186 HydrophobicContact CG2-CD2 3.91Å; T184-F186 HydrophobicContact CG2-CE2 3.28Å; T184-F186 HydrophobicContact CG2-CZ 3.7Å
187	T	96.3	Very high	93.2	Very high	4 Å²	4	30.9 Å²	30.9	3%	0.025	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	128.9	167.7	-59	0	0	0	0	109.9	D46 I47 G172 V173 V189 Y192	D46-T187 WeakPolarHBondContact O-CB 3.24Å; D46-T187 PolarHBondContact O-OG1 2.92Å; I47-T187 HydrophobicContact CB-CG2 4.12Å; G172-T187 VanDerWaalsContact CA-O 3.32Å; G172-T187 WeakPolarHBondContact CA-O 3.18Å; V173-T187 PolarHBondContact N-O 3.16Å; V173-T187 PolarHBondContact O-N 2.68Å; T187-V189 PolarHBondContact O-N 3.44Å; T187-V189 VanDerWaalsContact O-N 3.15Å; T187-Y192 HydrophobicContact CG2-CD2 3.77Å; T187-Y192 HydrophobicContact CG2-CE2 3.32Å
188	N	97	Very high	93.6	Very high	24 Å²	24	32.4 Å²	32.4	13%	0.128	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	100.2	179.9	-176.6	0.2	0	0	0	111.4	K137 T138 I140 A190 Y191 Y192	K137-N188 PolarHBondContact O-ND2 3.46Å; T138-N188 PolarHBondContact O-N 3.05Å; I140-N188 HydrophobicContact CD1-CB 4.26Å; I140-N188 HydrophobicContact CG1-CB 3.87Å; N188-A190 VanDerWaalsContact C-N 3.28Å; N188-A190 PolarHBondContact O-N 3.3Å; N188-A190 WeakPolarHBondContact OD1-CB 3.32Å; N188-A190 PolarHBondContact OD1-N 2.89Å; N188-A190 VanDerWaalsContact OD1-N 3.14Å; N188-Y191 PolarHBondContact O-N 2.8Å; N188-Y192 WeakPolarHBondContact O-CD2 3.46Å
189	V	98.1	Very high	94.2	Very high	5 Å²	5	29.7 Å²	29.7	3%	0.03	15%	0.148	C	C	.	.	H	α-helix	trans	-64.9	-31.4	-177.6	179.8	0	0	0	0	112.2	I67 P68 Q170 F171 V173 T187 Y191 Y192 S193 L196	I67-V189 HydrophobicContact CG2-CG1 4.24Å; P68-V189 HydrophobicContact CG-CB 4.06Å; P68-V189 HydrophobicContact CG-CG1 3.87Å; Q170-V189 VanDerWaalsContact O-CB 3.3Å; Q170-V189 WeakPolarHBondContact O-CB 3.14Å; Q170-V189 WeakPolarHBondContact O-CG1 3.43Å; F171-V189 WeakPolarHBondContact O-CB 3.28Å; F171-V189 PolarHBondContact O-N 3.32Å; V173-V189 HydrophobicContact CG2-CG2 3.87Å; T187-V189 PolarHBondContact O-N 3.44Å; T187-V189 VanDerWaalsContact O-N 3.15Å; V189-Y191 VanDerWaalsContact C-N 3.31Å; V189-Y191 PolarHBondContact O-N 2.78Å; V189-Y192 CarbonylContact O-C 3.59Å; V189-Y192 PolarHBondContact O-N 2.79Å; V189-Y192 VanDerWaalsContact O-N 3.11Å; V189-S193 PolarHBondContact O-N 3.27Å; V189-S193 PolarHBondContact O-OG 2.96Å; V189-L196 HydrophobicContact CG1-CD1 3.82Å
190	A	98	Very high	94.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60	-42.5	178.9	0	0	0	0	0	111.4	P68 Q72 N188 Y192 S193	P68-A190 HydrophobicContact CB-CB 3.99Å; P68-A190 HydrophobicContact CG-CB 3.95Å; Q72-A190 WeakPolarHBondContact O-CB 3.39Å; N188-A190 VanDerWaalsContact C-N 3.28Å; N188-A190 PolarHBondContact O-N 3.3Å; N188-A190 WeakPolarHBondContact OD1-CB 3.32Å; N188-A190 PolarHBondContact OD1-N 2.89Å; N188-A190 VanDerWaalsContact OD1-N 3.14Å; A190-Y192 VanDerWaalsContact C-N 3.33Å; A190-Y192 PolarHBondContact O-N 3.11Å; A190-S193 VanDerWaalsContact O-CB 3.26Å; A190-S193 WeakPolarHBondContact O-CB 3.04Å; A190-S193 PolarHBondContact O-N 3.13Å; A190-S193 VanDerWaalsContact O-N 3.16Å; A190-S193 PolarHBondContact O-OG 2.88Å
191	Y	97.3	Very high	94.9	Very high	90 Å²	90	31.5 Å²	31.5	35%	0.353	16%	0.155	S	C	.	.	H	α-helix	trans	-60.9	-38.5	175.2	177.6	-94.4	0	0	0	112.9	K137 T138 N188 V189 S193	K137-Y191 HydrophobicContact CB-CD2 4.34Å; K137-Y191 HydrophobicContact CB-CE2 4.34Å; K137-Y191 VanDerWaalsContact O-CB 3.29Å; K137-Y191 WeakPolarHBondContact O-CB 3.02Å; T138-Y191 HydrophobicContact CG2-CD1 3.82Å; T138-Y191 HydrophobicContact CG2-CE1 3.6Å; T138-Y191 HydrophobicContact CG2-CG 4.38Å; N188-Y191 PolarHBondContact O-N 2.8Å; V189-Y191 VanDerWaalsContact C-N 3.31Å; V189-Y191 PolarHBondContact O-N 2.78Å; Y191-S193 VanDerWaalsContact C-N 3.33Å
192	Y	97.4	Very high	95.2	Very high	5 Å²	5	37.8 Å²	37.8	2%	0.02	18%	0.182	C	C	.	.	H	α-helix	trans	-85.9	-0.3	178.9	-62.2	-80.7	0	0	0	113.8	N45 I47 T138 T187 N188 V189 A190 W195 L196	N45-Y192 VanDerWaalsContact CA-OH 3.3Å; N45-Y192 WeakPolarHBondContact CA-OH 3.48Å; N45-Y192 HydrophobicContact CB-CE1 4.27Å; N45-Y192 PolarHBondContact OD1-OH 3.47Å; N45-Y192 VanDerWaalsContact OD1-OH 3.08Å; I47-Y192 HydrophobicContact CD1-CD2 4.14Å; I47-Y192 HydrophobicContact CD1-CG 4.09Å; I47-Y192 HydrophobicContact CG2-CD1 3.85Å; I47-Y192 HydrophobicContact CG2-CD2 4.19Å; I47-Y192 HydrophobicContact CG2-CE1 4.02Å; I47-Y192 HydrophobicContact CG2-CE2 4.41Å; I47-Y192 HydrophobicContact CG2-CG 3.95Å; T138-Y192 WeakPolarHBondContact CB-OH 3.05Å; T187-Y192 HydrophobicContact CG2-CD2 3.77Å; T187-Y192 HydrophobicContact CG2-CE2 3.32Å; N188-Y192 WeakPolarHBondContact O-CD2 3.46Å; V189-Y192 CarbonylContact O-C 3.59Å; V189-Y192 PolarHBondContact O-N 2.79Å; V189-Y192 VanDerWaalsContact O-N 3.11Å; A190-Y192 VanDerWaalsContact C-N 3.33Å; A190-Y192 PolarHBondContact O-N 3.11Å; Y192-W195 WeakPolarHBondContact O-CB 3.49Å; Y192-W195 PolarHBondContact O-N 2.89Å; Y192-L196 WeakPolarHBondContact O-CG 3.31Å; Y192-L196 PolarHBondContact O-N 3.1Å
193	S	97.6	Very high	95.2	Very high	1 Å²	1	39 Å²	39	1%	0.007	19%	0.187	C	C	.	.	H	α-helix	trans	-58.9	-40.3	-175.4	-69.4	0	0	0	0	114	P68 V189 A190 Y191 W195 L196 K197	P68-S193 WeakPolarHBondContact O-CB 3.36Å; P68-S193 PolarHBondContact O-OG 3.29Å; V189-S193 PolarHBondContact O-N 3.27Å; V189-S193 PolarHBondContact O-OG 2.96Å; A190-S193 VanDerWaalsContact O-CB 3.26Å; A190-S193 WeakPolarHBondContact O-CB 3.04Å; A190-S193 PolarHBondContact O-N 3.13Å; A190-S193 VanDerWaalsContact O-N 3.16Å; A190-S193 PolarHBondContact O-OG 2.88Å; Y191-S193 VanDerWaalsContact C-N 3.33Å; S193-W195 PolarHBondContact O-N 3.17Å; S193-L196 PolarHBondContact O-N 3.5Å; S193-K197 WeakPolarHBondContact O-CB 3.45Å; S193-K197 WeakPolarHBondContact O-CG 3.43Å; S193-K197 PolarHBondContact O-N 3.28Å
194	P	97.1	Very high	94.9	Very high	67 Å²	67	45.8 Å²	45.8	44%	0.435	21%	0.212	S	C	.	.	H	α-helix	trans	-59	-44	171.6	-26	35.9	0	0	0	113.2	S70 S198	S70-P194 WeakPolarHBondContact OG-CG 3.42Å; P194-S198 VanDerWaalsContact O-CB 3.24Å; P194-S198 WeakPolarHBondContact O-CB 3.3Å; P194-S198 PolarHBondContact O-N 3.1Å
195	W	96.6	Very high	94.4	Very high	55 Å²	55	49.4 Å²	49.4	21%	0.208	23%	0.231	C	C	.	.	H	α-helix	trans	-65.6	-44.2	177.6	170.2	81.2	0	0	0	111.6	L33 I47 L49 Y192 S193 T199	L33-W195 HydrophobicContact CB-CZ2 4.46Å; I47-W195 HydrophobicContact CD1-CZ3 4.39Å; I47-W195 HydrophobicContact CG1-CZ3 4.31Å; I47-W195 HydrophobicContact CG2-CZ3 4.1Å; L49-W195 HydrophobicContact CB-CH2 3.98Å; L49-W195 HydrophobicContact CB-CZ3 4.42Å; Y192-W195 WeakPolarHBondContact O-CB 3.49Å; Y192-W195 PolarHBondContact O-N 2.89Å; S193-W195 PolarHBondContact O-N 3.17Å; W195-T199 PolarHBondContact NE1-OG1 3.49Å; W195-T199 WeakPolarHBondContact O-CB 3.42Å; W195-T199 PolarHBondContact O-N 3.08Å; W195-T199 PolarHBondContact O-OG1 3.18Å
196	L	96.9	Very high	93.5	Very high	12 Å²	12	51.9 Å²	51.9	6%	0.063	25%	0.248	C	C	.	.	H	α-helix	trans	-58.3	-52.8	176.7	-72.9	170	0	0	0	110.9	I47 L49 I67 V189 Y192 S193 T199 M200	I47-L196 HydrophobicContact CD1-CD1 4.31Å; I47-L196 HydrophobicContact CD1-CD2 4.36Å; L49-L196 HydrophobicContact CB-CD2 4.39Å; L49-L196 HydrophobicContact CD1-CD2 4.16Å; I67-L196 HydrophobicContact CG2-CD1 4.19Å; V189-L196 HydrophobicContact CG1-CD1 3.82Å; Y192-L196 WeakPolarHBondContact O-CG 3.31Å; Y192-L196 PolarHBondContact O-N 3.1Å; S193-L196 PolarHBondContact O-N 3.5Å; L196-T199 PolarHBondContact O-N 3.18Å; L196-M200 HydrophobicContact CB-CE 4.37Å; L196-M200 WeakPolarHBondContact O-CB 3.25Å; L196-M200 VanDerWaalsContact O-CG 3.28Å; L196-M200 WeakPolarHBondContact O-CG 2.76Å; L196-M200 PolarHBondContact O-N 2.91Å
197	K	95.3	Very high	92.4	Very high	85 Å²	85	53.1 Å²	53.1	37%	0.37	26%	0.256	S	S	.	.	H	α-helix	trans	-60.9	-47.7	-179.2	-70.3	178.3	-179.4	-169.9	0	111.6	E69 S193 T199 M200 H201	E69-K197 IonicContact OE1-NZ 2.64Å; E69-K197 PolarHBondContact OE1-NZ 3.09Å; E69-K197 IonicContact OE2-NZ 3.98Å; E69-K197 PolarHBondContact OE2-NZ 3.11Å; S193-K197 WeakPolarHBondContact O-CB 3.45Å; S193-K197 WeakPolarHBondContact O-CG 3.43Å; S193-K197 PolarHBondContact O-N 3.28Å; K197-T199 PolarHBondContact O-N 2.96Å; K197-M200 HydrophobicContact CG-CE 4.37Å; K197-M200 PolarHBondContact O-N 2.88Å; K197-H201 WeakPolarHBondContact O-CB 3.38Å; K197-H201 PolarHBondContact O-N 2.79Å
198	S	95.6	Very high	91.1	Very high	53 Å²	53	57.3 Å²	57.3	37%	0.371	28%	0.284	S	S	.	.	H	α-helix	trans	-60.7	-44.5	177.1	-175.7	0	0	0	0	112	P194 H201 K202	P194-S198 VanDerWaalsContact O-CB 3.24Å; P194-S198 WeakPolarHBondContact O-CB 3.3Å; P194-S198 PolarHBondContact O-N 3.1Å; S198-H201 PolarHBondContact O-N 3.5Å; S198-K202 WeakPolarHBondContact O-CG 3Å; S198-K202 PolarHBondContact O-N 3.49Å
199	T	94	Very high	89.4	Confident	15 Å²	15	62 Å²	62	9%	0.092	31%	0.313	C	S	.	.	H	α-helix	trans	-67.9	-45.5	-178.7	-59	0	0	0	0	111.3	L33 L49 W195 L196 K197 H201 K202 Q203	L33-T199 HydrophobicContact CB-CG2 4.18Å; L33-T199 HydrophobicContact CD1-CG2 3.58Å; L33-T199 HydrophobicContact CG-CG2 4.35Å; L49-T199 HydrophobicContact CD2-CG2 3.72Å; W195-T199 PolarHBondContact NE1-OG1 3.49Å; W195-T199 WeakPolarHBondContact O-CB 3.42Å; W195-T199 PolarHBondContact O-N 3.08Å; W195-T199 PolarHBondContact O-OG1 3.18Å; L196-T199 PolarHBondContact O-N 3.18Å; K197-T199 PolarHBondContact O-N 2.96Å; T199-H201 VanDerWaalsContact C-N 3.31Å; T199-H201 PolarHBondContact O-N 3.3Å; T199-K202 PolarHBondContact O-N 2.87Å; T199-Q203 HydrophobicContact CG2-CG 4.48Å; T199-Q203 VanDerWaalsContact O-CG 3.29Å; T199-Q203 WeakPolarHBondContact O-CG 3.49Å; T199-Q203 PolarHBondContact O-N 3.07Å
200	M	93.1	Very high	87.6	Confident	58 Å²	58	62.9 Å²	62.9	29%	0.286	32%	0.321	S	S	.	.	H	α-helix	trans	-58.5	-42.5	174.8	-74.3	-173.1	-67.5	0	0	112	L49 I67 L196 K197 Q203 R204	L49-M200 HydrophobicContact CD1-CG 4.3Å; L49-M200 HydrophobicContact CD2-CG 3.71Å; I67-M200 HydrophobicContact CD1-CE 3.85Å; I67-M200 HydrophobicContact CD1-SD 4.43Å; L196-M200 HydrophobicContact CB-CE 4.37Å; L196-M200 WeakPolarHBondContact O-CB 3.25Å; L196-M200 VanDerWaalsContact O-CG 3.28Å; L196-M200 WeakPolarHBondContact O-CG 2.76Å; L196-M200 PolarHBondContact O-N 2.91Å; K197-M200 HydrophobicContact CG-CE 4.37Å; K197-M200 PolarHBondContact O-N 2.88Å; M200-Q203 PolarHBondContact O-N 3.33Å; M200-R204 WeakPolarHBondContact O-CG 3.39Å; M200-R204 PolarHBondContact O-N 3.13Å
201	H	93.5	Very high	85.7	Confident	115 Å²	115	67.5 Å²	67.5	53%	0.532	34%	0.342	S	S	.	.	H	α-helix	trans	-62.8	-48.1	177.2	-179.3	73.9	0	0	0	112.2	K197 S198 T199 Q203 R204 I205	K197-H201 WeakPolarHBondContact O-CB 3.38Å; K197-H201 PolarHBondContact O-N 2.79Å; S198-H201 PolarHBondContact O-N 3.5Å; T199-H201 VanDerWaalsContact C-N 3.31Å; T199-H201 PolarHBondContact O-N 3.3Å; H201-Q203 VanDerWaalsContact C-N 3.32Å; H201-Q203 PolarHBondContact O-N 2.81Å; H201-R204 WeakPolarHBondContact O-CB 3.03Å; H201-R204 PolarHBondContact O-N 2.86Å; H201-R204 VanDerWaalsContact O-N 3.14Å; H201-I205 WeakPolarHBondContact NE2-CD1 3.27Å; H201-I205 PolarHBondContact O-N 3.27Å; H201-I205 VanDerWaalsContact O-N 3.14Å
202	K	91.9	Very high	83.9	Confident	132 Å²	132	70.6 Å²	70.6	57%	0.574	36%	0.358	S	S	*	.	H	α-helix	trans	-58.9	-42	175.9	-71.3	174.1	-174	177.9	0	112.1	S198 T199 R204 I205 S206	S198-K202 WeakPolarHBondContact O-CG 3Å; S198-K202 PolarHBondContact O-N 3.49Å; T199-K202 PolarHBondContact O-N 2.87Å; K202-R204 VanDerWaalsContact C-N 3.33Å; K202-R204 PolarHBondContact O-N 3.4Å; K202-I205 PolarHBondContact O-N 3.38Å; K202-S206 PolarHBondContact O-N 3.36Å; K202-S206 PolarHBondContact O-OG 3.06Å
203	Q	88.6	Confident	82.2	Confident	43 Å²	43	72.9 Å²	72.9	20%	0.201	38%	0.375	C	S	.	.	H	α-helix	trans	-66.1	-33.2	177.5	-69.6	-56.3	-54.3	0	0	112.8	L33 R51 T199 M200 H201 S206 S207	L33-Q203 HydrophobicContact CD1-CG 3.58Å; R51-Q203 VanDerWaalsContact CD-OE1 3.26Å; R51-Q203 PolarHBondContact NH1-O 3.41Å; R51-Q203 PolarHBondContact NH2-O 2.02Å; T199-Q203 HydrophobicContact CG2-CG 4.48Å; T199-Q203 VanDerWaalsContact O-CG 3.29Å; T199-Q203 WeakPolarHBondContact O-CG 3.49Å; T199-Q203 PolarHBondContact O-N 3.07Å; M200-Q203 PolarHBondContact O-N 3.33Å; H201-Q203 VanDerWaalsContact C-N 3.32Å; H201-Q203 PolarHBondContact O-N 2.81Å; Q203-S206 PolarHBondContact O-OG 2.8Å; Q203-S207 PolarHBondContact O-OG 3.44Å; Q203-S207 VanDerWaalsContact O-OG 3.07Å
204	R	85.1	Confident	80.2	Confident	192 Å²	192	77.1 Å²	77.1	73%	0.725	40%	0.397	S	S	*	.	H	α-helix	trans	-65.2	-49.2	174	-79.9	178	141.1	139	-3.7	111.5	M200 H201 K202 S206 S207	M200-R204 WeakPolarHBondContact O-CG 3.39Å; M200-R204 PolarHBondContact O-N 3.13Å; H201-R204 WeakPolarHBondContact O-CB 3.03Å; H201-R204 PolarHBondContact O-N 2.86Å; H201-R204 VanDerWaalsContact O-N 3.14Å; K202-R204 VanDerWaalsContact C-N 3.33Å; K202-R204 PolarHBondContact O-N 3.4Å; R204-S206 PolarHBondContact O-N 3.46Å; R204-S207 VanDerWaalsContact O-CB 3.25Å; R204-S207 WeakPolarHBondContact O-CB 3.29Å; R204-S207 PolarHBondContact O-N 3.08Å; R204-S207 PolarHBondContact O-OG 3.25Å
205	I	82.6	Confident	78.4	Confident	80 Å²	80	82.8 Å²	82.8	41%	0.41	41%	0.41	S	S	.	.	H	α-helix	trans	-66.3	-35	-178.6	-65.3	169.4	0	0	0	112.4	H201 K202 S207	H201-I205 WeakPolarHBondContact NE2-CD1 3.27Å; H201-I205 PolarHBondContact O-N 3.27Å; H201-I205 VanDerWaalsContact O-N 3.14Å; K202-I205 PolarHBondContact O-N 3.38Å; I205-S207 PolarHBondContact O-N 3.05Å
206	S	76.5	Confident	76.6	Confident	54 Å²	54	86.5 Å²	86.5	38%	0.378	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-6.2	178.2	67.2	0	0	0	0	114.2	R51 K202 Q203 R204	R51-S206 PolarHBondContact NH1-OG 3.22Å; K202-S206 PolarHBondContact O-N 3.36Å; K202-S206 PolarHBondContact O-OG 3.06Å; Q203-S206 PolarHBondContact O-OG 2.8Å; R204-S206 PolarHBondContact O-N 3.46Å
207	S	72.7	Confident	74.7	Confident	25 Å²	25	90.4 Å²	90.4	18%	0.175	45%	0.45	C	S	.	.	S	Bend	trans	-66.9	139	179.4	-51.4	0	0	0	0	111.4	R51 Q203 R204 I205 V209 A210 Q211	R51-S207 PolarHBondContact NH2-OG 3.01Å; Q203-S207 PolarHBondContact O-OG 3.44Å; Q203-S207 VanDerWaalsContact O-OG 3.07Å; R204-S207 VanDerWaalsContact O-CB 3.25Å; R204-S207 WeakPolarHBondContact O-CB 3.29Å; R204-S207 PolarHBondContact O-N 3.08Å; R204-S207 PolarHBondContact O-OG 3.25Å; I205-S207 PolarHBondContact O-N 3.05Å; S207-V209 PolarHBondContact O-N 3.22Å; S207-V209 VanDerWaalsContact O-N 3.07Å; S207-A210 PolarHBondContact O-N 3.35Å; S207-Q211 PolarHBondContact O-N 3.37Å
208	P	67.2	Low	72.8	Confident	92 Å²	92	89.2 Å²	89.2	60%	0.597	46%	0.456	S	S	*	.	H	α-helix	trans	-54	-33.4	178.8	-26.7	33.4	0	0	0	113.9	Q211 K212	P208-Q211 PolarHBondContact O-N 3.38Å; P208-K212 WeakPolarHBondContact O-CG 3.36Å; P208-K212 PolarHBondContact O-N 2.8Å
209	V	63.2	Low	70.9	Confident	122 Å²	122	91.8 Å²	91.8	74%	0.739	47%	0.47	S	S	*	.	H	α-helix	trans	-63	-46.8	176.3	-178.6	0	0	0	0	111.3	S207 K212 S213	S207-V209 PolarHBondContact O-N 3.22Å; S207-V209 VanDerWaalsContact O-N 3.07Å; V209-K212 PolarHBondContact O-N 3.01Å; V209-S213 PolarHBondContact O-N 3.31Å
210	A	59.6	Low	68.9	Low	25 Å²	25	95.6 Å²	95.6	21%	0.207	49%	0.493	C	S	.	.	H	α-helix	trans	-71	-33.4	177.8	0	0	0	0	0	112.2	S207 S213 N214	S207-A210 PolarHBondContact O-N 3.35Å; A210-S213 PolarHBondContact O-N 3.47Å; A210-S213 PolarHBondContact O-OG 3.1Å; A210-N214 WeakPolarHBondContact O-CB 3.25Å; A210-N214 PolarHBondContact O-N 3.1Å
211	Q	57.2	Low	67	Low	96 Å²	96	102.6 Å²	102.6	45%	0.449	52%	0.516	S	S	.	.	H	α-helix	trans	-66.6	-37.7	173.4	-71.3	-171.3	-14.1	0	0	112.4	S207 P208 N214 R215	S207-Q211 PolarHBondContact O-N 3.37Å; P208-Q211 PolarHBondContact O-N 3.38Å; Q211-N214 PolarHBondContact O-N 3.08Å; Q211-R215 WeakPolarHBondContact O-CB 3.4Å; Q211-R215 WeakPolarHBondContact O-CG 3.4Å; Q211-R215 PolarHBondContact O-N 2.88Å
212	K	60.1	Low	64.8	Low	155 Å²	155	104.6 Å²	104.6	67%	0.674	53%	0.53	S	S	*	.	H	α-helix	trans	-64	-44	173.9	-79.7	-176.9	177.7	-176.7	0	111.6	P208 V209 R215 Q216	P208-K212 WeakPolarHBondContact O-CG 3.36Å; P208-K212 PolarHBondContact O-N 2.8Å; V209-K212 PolarHBondContact O-N 3.01Å; K212-R215 PolarHBondContact O-N 3.48Å; K212-Q216 WeakPolarHBondContact O-CB 3.43Å; K212-Q216 PolarHBondContact O-N 2.99Å
213	S	61	Low	62.6	Low	54 Å²	54	105.9 Å²	105.9	38%	0.378	54%	0.538	S	S	.	.	H	α-helix	trans	-65.3	-41.1	177.1	76.7	0	0	0	0	111.9	V209 A210 Q216 L217	V209-S213 PolarHBondContact O-N 3.31Å; A210-S213 PolarHBondContact O-N 3.47Å; A210-S213 PolarHBondContact O-OG 3.1Å; S213-Q216 PolarHBondContact O-N 2.02Å; S213-L217 WeakPolarHBondContact O-CB 3.37Å; S213-L217 PolarHBondContact O-N 3.41Å
214	N	56.7	Low	60.3	Low	89 Å²	89	110.3 Å²	110.3	48%	0.476	57%	0.568	S	S	.	*	H	α-helix	trans	-68.9	-36.2	177	-80.8	-6.6	0	0	0	112.7	A210 Q211 L217 A218	A210-N214 WeakPolarHBondContact O-CB 3.25Å; A210-N214 PolarHBondContact O-N 3.1Å; Q211-N214 PolarHBondContact O-N 3.08Å; N214-L217 PolarHBondContact O-N 3.06Å; N214-A218 VanDerWaalsContact O-CB 3.29Å; N214-A218 WeakPolarHBondContact O-CB 3.47Å; N214-A218 PolarHBondContact O-N 3.48Å
215	R	58.8	Low	57.9	Low	186 Å²	186	107.3 Å²	107.3	70%	0.702	57%	0.571	S	S	*	*	H	α-helix	trans	-66.2	-44.5	173.6	-79.9	-176.2	-179.6	-170.4	1.1	111.1	Q211 K212 L217 A218 T219	Q211-R215 WeakPolarHBondContact O-CB 3.4Å; Q211-R215 WeakPolarHBondContact O-CG 3.4Å; Q211-R215 PolarHBondContact O-N 2.88Å; K212-R215 PolarHBondContact O-N 3.48Å; R215-L217 VanDerWaalsContact C-N 3.35Å; R215-L217 PolarHBondContact O-N 2.96Å; R215-A218 PolarHBondContact O-N 3.48Å; R215-T219 PolarHBondContact O-N 3.15Å; R215-T219 PolarHBondContact O-OG1 3.14Å
216	Q	58.8	Low	55.4	Low	134 Å²	134	115.4 Å²	115.4	63%	0.626	60%	0.596	S	S	*	*	H	α-helix	trans	-61.4	-41.7	174.7	-81.2	177.4	-27.2	0	0	111.9	K212 S213 T219 T220	K212-Q216 WeakPolarHBondContact O-CB 3.43Å; K212-Q216 PolarHBondContact O-N 2.99Å; S213-Q216 PolarHBondContact O-N 2.02Å; Q216-T219 PolarHBondContact O-OG1 3.18Å; Q216-T220 WeakPolarHBondContact O-CB 3.41Å; Q216-T220 PolarHBondContact O-N 3.16Å; Q216-T220 PolarHBondContact O-OG1 3.21Å
217	L	56.9	Low	53.5	Low	93 Å²	93	119.1 Å²	119.1	49%	0.487	61%	0.612	S	S	.	*	H	α-helix	trans	-63.4	-40.3	173.6	-111	84.7	0	0	0	112.2	S213 N214 R215 T220 R221	S213-L217 WeakPolarHBondContact O-CB 3.37Å; S213-L217 PolarHBondContact O-N 3.41Å; N214-L217 PolarHBondContact O-N 3.06Å; R215-L217 VanDerWaalsContact C-N 3.35Å; R215-L217 PolarHBondContact O-N 2.96Å; L217-T220 PolarHBondContact O-N 3.05Å; L217-R221 WeakPolarHBondContact O-CG 3.36Å; L217-R221 PolarHBondContact O-N 2.95Å
218	A	56.3	Low	51.6	Low	60 Å²	60	123.6 Å²	123.6	50%	0.496	64%	0.641	S	S	.	*	H	α-helix	trans	-69.7	-40.3	-179.3	0	0	0	0	0	112.4	N214 R215 T220 R221	N214-A218 VanDerWaalsContact O-CB 3.29Å; N214-A218 WeakPolarHBondContact O-CB 3.47Å; N214-A218 PolarHBondContact O-N 3.48Å; R215-A218 PolarHBondContact O-N 3.48Å; A218-T220 VanDerWaalsContact C-N 3.31Å; A218-R221 PolarHBondContact O-N 3.24Å
219	T	55.4	Low	50.1	Low	108 Å²	108	124.1 Å²	124.1	66%	0.663	64%	0.642	S	S	*	*	H	α-helix	trans	-67.8	-32.5	172.1	29.5	0	0	0	0	112.1	R215 Q216 R221	R215-T219 PolarHBondContact O-N 3.15Å; R215-T219 PolarHBondContact O-OG1 3.14Å; Q216-T219 PolarHBondContact O-OG1 3.18Å; T219-R221 VanDerWaalsContact C-N 3.33Å; T219-R221 PolarHBondContact O-N 2.93Å
220	T	51.4	Low	48.6	Very low	95 Å²	95	126 Å²	126	58%	0.583	65%	0.648	S	S	*	*	H	α-helix	trans	-73.7	-23	177.6	-49.8	0	0	0	0	112.3	Q216 L217 A218 L222 Q223	Q216-T220 WeakPolarHBondContact O-CB 3.41Å; Q216-T220 PolarHBondContact O-N 3.16Å; Q216-T220 PolarHBondContact O-OG1 3.21Å; L217-T220 PolarHBondContact O-N 3.05Å; A218-T220 VanDerWaalsContact C-N 3.31Å; T220-L222 VanDerWaalsContact C-N 3.26Å; T220-L222 PolarHBondContact O-N 3Å; T220-Q223 PolarHBondContact O-N 2.99Å
221	R	53.8	Low	47.2	Very low	205 Å²	205	132.8 Å²	132.8	77%	0.774	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-8.5	179.6	-80.8	-177.3	-163.6	-159.6	3.8	115.5	L217 A218 T219	L217-R221 WeakPolarHBondContact O-CG 3.36Å; L217-R221 PolarHBondContact O-N 2.95Å; A218-R221 PolarHBondContact O-N 3.24Å; T219-R221 VanDerWaalsContact C-N 3.33Å; T219-R221 PolarHBondContact O-N 2.93Å
222	L	48	Very low	45.9	Very low	156 Å²	156	133.4 Å²	133.4	82%	0.817	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-7.8	177.8	-89.1	161.8	0	0	0	114.2	T220	T220-L222 VanDerWaalsContact C-N 3.26Å; T220-L222 PolarHBondContact O-N 3Å
223	Q	44.7	Very low	44.3	Very low	160 Å²	160	131.9 Å²	131.9	75%	0.748	70%	0.699	S	S	*	*	S	Bend	trans	-146	147.1	175.1	-68.6	-179.9	-27.1	0	0	108.5	T220	T220-Q223 PolarHBondContact O-N 2.99Å
224	V	40.1	Very low	42.6	Very low	135 Å²	135	137.3 Å²	137.3	82%	0.818	72%	0.72	S	S	*	*			trans	99.9	101.8	170.6	-167.7	0	0	0	0	114.9
225	T	33.9	Very low	41.1	Very low	130 Å²	130	139.9 Å²	139.9	80%	0.798	74%	0.739	S	S	*	*			trans	-48.3	139.4	156.1	46.2	0	0	0	0	112.5	D227	T225-D227 PolarHBondContact O-N 3.47Å
226	R	30.8	Very low	39.5	Very low	249 Å²	249	141.1 Å²	141.1	94%	0.94	75%	0.745	S	S	*	*			trans	-21.6	118.1	173.3	-63.5	171.7	-176	176.4	0.6	115.6
227	D	36.8	Very low	37.8	Very low	133 Å²	133	139 Å²	139	71%	0.711	75%	0.751	S	S	*	*			trans	-135	111.7	150.5	-161.8	-2.1	0	0	0	109.1	T225 T229	T225-D227 PolarHBondContact O-N 3.47Å; D227-T229 PolarHBondContact O-N 2.89Å
228	P	32.1	Very low	36.3	Very low	119 Å²	119	139.1 Å²	139.1	77%	0.773	76%	0.757	S	S	*	*			trans	-92.2	65.6	-172.2	36.3	-33.2	0	0	0	111.7
229	T	35.8	Very low	34.7	Very low	102 Å²	102	142 Å²	142	63%	0.626	77%	0.774	S	S	*	*			trans	-148.7	85.7	168.7	60.1	0	0	0	0	110.3	D227	D227-T229 PolarHBondContact O-N 2.89Å
230	N	32.6	Very low	33.2	Very low	162 Å²	162	147.7 Å²	147.7	87%	0.866	78%	0.783	S	S	*	*			trans	-177.1	70.7	155.8	-96	-22.5	0	0	0	110.7
231	D	29	Very low	32	Very low	167 Å²	167	149 Å²	149	89%	0.893	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-91.4	119	160	-81.3	-37.2	0	0	0	108.7
232	P	30.7	Very low	30.6	Very low	110 Å²	110	143.5 Å²	143.5	71%	0.714	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-72	149	174.5	28.3	-31.6	0	0	0	111	M234	P232-M234 PolarHBondContact O-N 3.11Å
233	P	27.5	Very low	29.6	Very low	122 Å²	122	141.7 Å²	141.7	79%	0.792	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-69	130.3	-169.2	27.1	-34.9	0	0	0	112.5	V235	P233-V235 PolarHBondContact O-N 3.31Å
234	M	24.3	Very low	28.6	Very low	168 Å²	168	138.1 Å²	138.1	83%	0.828	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-67.1	117.8	169	-125.2	-169.3	-73.3	0	0	108.9	P232 Y236	P232-M234 PolarHBondContact O-N 3.11Å; M234-Y236 PolarHBondContact O-N 3.41Å
235	V	25.3	Very low	27.8	Very low	143 Å²	143	143 Å²	143	87%	0.867	79%	0.79	S	S	*	*			trans	-70.4	103.6	175	-179.4	0	0	0	0	108.4	P233 A237	P233-V235 PolarHBondContact O-N 3.31Å; V235-A237 PolarHBondContact O-N 2.67Å
236	Y	24.5	Very low	27.3	Very low	213 Å²	213	139.3 Å²	139.3	84%	0.835	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-64.1	123.3	169.8	-85.1	-96.6	0	0	0	109.6	M234	M234-Y236 PolarHBondContact O-N 3.41Å
237	A	23.5	Very low	27	Very low	90 Å²	90	132.4 Å²	132.4	74%	0.744	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-71	132.3	169.1	0	0	0	0	0	109.3	V235	V235-A237 PolarHBondContact O-N 2.67Å
238	P	25.6	Very low	26.7	Very low	95 Å²	95	130.2 Å²	130.2	62%	0.617	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-67.6	142	-178.7	9.1	-8	0	0	0	112.4	W240	P238-W240 VanDerWaalsContact O-CD1 3.31Å; P238-W240 PolarHBondContact O-N 3.12Å
239	S	22.3	Very low	26.7	Very low	120 Å²	120	125.6 Å²	125.6	84%	0.839	71%	0.706	S	S	*	*			trans	-66.9	105.2	171.4	51.6	0	0	0	0	110.2
240	W	24.9	Very low	26.5	Very low	227 Å²	227	122.6 Å²	122.6	86%	0.86	69%	0.688	S	S	*	*			trans	-93.2	114.3	171.6	-73.1	91.4	0	0	0	110	P238	P238-W240 VanDerWaalsContact O-CD1 3.31Å; P238-W240 PolarHBondContact O-N 3.12Å
241	T	25.7	Very low	26.3	Very low	122 Å²	122	118.1 Å²	118.1	75%	0.748	67%	0.666	S	S	*	*			trans	-63	128.3	158.3	47.3	0	0	0	0	108.6	P243	T241-P243 WeakPolarHBondContact O-CD 3.27Å
242	A	24.7	Very low	26.1	Very low	91 Å²	91	114 Å²	114	75%	0.752	64%	0.64	S	S	*	*			trans	-54.5	138.1	176.4	0	0	0	0	0	111.8
243	P	26.2	Very low	26	Very low	118 Å²	118	112.4 Å²	112.4	77%	0.766	63%	0.626	S	S	*	*				-124.4	137.3	117.5	5.6	14.9	0	0	0	110.2	T241 Y245	T241-P243 WeakPolarHBondContact O-CD 3.27Å; P243-Y245 PolarHBondContact O-N 2.67Å
244	A	24.7	Very low	25.8	Very low	84 Å²	84	112.6 Å²	112.6	69%	0.694	65%	0.65	S	S	*	*			trans	-48.4	126.5	168.1	0	0	0	0	0	110.1
245	Y	23.4	Very low	25.9	Very low	238 Å²	238	109.8 Å²	109.8	93%	0.933	64%	0.641	S	S	*	*			trans	156	84.2	154.8	-77.2	-58	0	0	0	108.8	P243	P243-Y245 PolarHBondContact O-N 2.67Å
246	A	23.3	Very low	25.9	Very low	52 Å²	52	108.1 Å²	108.1	43%	0.43	63%	0.629	S	S	.	*			trans	-169.2	74.2	156.7	0	0	0	0	0	109.4	H248	A246-H248 PolarHBondContact O-N 2.72Å
247	M	23.8	Very low	26	Very low	105 Å²	105	102.2 Å²	102.2	52%	0.517	62%	0.618	S	S	.	*			trans	-86.5	87.1	168.4	-73.6	-157.6	-109.4	0	0	108.9	F168	F168-M247 HydrophobicContact CE2-CG 4.41Å; F168-M247 HydrophobicContact CZ-CG 4.27Å; F168-M247 HydrophobicContact CZ-SD 4.33Å
248	H	31.1	Very low	26.1	Very low	86 Å²	86	102.9 Å²	102.9	40%	0.398	61%	0.61	S	S	.	*			trans	-135.8	110.4	175.3	-65.6	-62.2	0	0	0	110.3	A246	A246-H248 PolarHBondContact O-N 2.72Å
249	F	31.2	Very low	26.2	Very low	22 Å²	22	103.4 Å²	103.4	10%	0.096	61%	0.61	C	S	.	*			trans	-117.2	130.7	-176.9	-65.1	-72.5	0	0	0	111.6	V65 A83 P159 V161 F168	V65-F249 HydrophobicContact CG2-CE1 4.08Å; A83-F249 HydrophobicContact CB-CB 4.35Å; A83-F249 HydrophobicContact CB-CD2 4.46Å; P159-F249 HydrophobicContact CG-CB 3.9Å; P159-F249 HydrophobicContact CG-CG 4.45Å; V161-F249 HydrophobicContact CB-CE1 4.15Å; V161-F249 HydrophobicContact CB-CZ 4.11Å; V161-F249 HydrophobicContact CG1-CD1 3.95Å; V161-F249 HydrophobicContact CG1-CE1 3.59Å; V161-F249 HydrophobicContact CG1-CZ 4.04Å; V161-F249 HydrophobicContact CG2-CD2 4.32Å; V161-F249 HydrophobicContact CG2-CE1 3.91Å; V161-F249 HydrophobicContact CG2-CE2 3.64Å; V161-F249 HydrophobicContact CG2-CZ 3.44Å; V161-F249 VanDerWaalsContact CG2-CZ 3.44Å; F168-F249 HydrophobicContact CB-CE1 4.21Å; F168-F249 HydrophobicContact CB-CZ 4.01Å; F168-F249 HydrophobicContact CD1-CZ 4.1Å; F168-F249 HydrophobicContact CD2-CZ 4.22Å; F168-F249 AromaticContact CG-CZ 3.85Å; F168-F249 HydrophobicContact CG-CZ 3.85Å
250	P	31.6	Very low	26.4	Very low	39 Å²	39	102.3 Å²	102.3	25%	0.253	59%	0.594	S	S	.	*			trans	-119.1	153.6	172.8	37.4	-26.3	0	0	0	113.6	V11	V11-P250 HydrophobicContact CG1-CB 4.39Å; V11-P250 HydrophobicContact CG1-CG 4.33Å
251	V	30	Very low	26.5	Very low	69 Å²	69	93.4 Å²	93.4	42%	0.418	58%	0.575	S	S	.	*				176.7	122.8	126.4	167.7	0	0	0	0	107.6	V9 L50	V9-V251 HydrophobicContact CG2-CG1 4.46Å; L50-V251 HydrophobicContact CD1-CG1 3.99Å
252	F	24.8	Very low	26.6	Very low	79 Å²	79	91.2 Å²	91.2	35%	0.346	56%	0.562	S	S	.	*			trans	-75.4	139.2	175.2	-110.6	-99.6	0	0	0	112	T16	T16-F252 HydrophobicContact CG2-CE2 4.13Å; T16-F252 HydrophobicContact CG2-CZ 4.07Å
253	L	27.5	Very low	26.7	Very low	77 Å²	77	91.3 Å²	91.3	40%	0.403	55%	0.546	S	S	.	.			trans	-126.6	113.2	149.5	-74.9	169.5	0	0	0	106.1	M1 L50	M1-L253 HydrophobicContact CE-CD2 4.49Å; L50-L253 HydrophobicContact CD1-CD2 4.06Å; L50-L253 HydrophobicContact CD2-CD2 4.35Å
254	G	23.3	Very low	26.8	Very low	126 Å²	126	88.8 Å²	88.8	100%	1.299	53%	0.526	S	S	*	.			trans	-70.9	0	169.4	0	0	0	0	0	112.1

Retrieved 254 of 254 residues in 159.7 ms (Link to these results)

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