A0A3Q0KFB3_SCHMA Loading...

CDK-activating kinase assembly factor MAT1

AlphaFold DB , UniProt , Accession A0A3Q0KFB3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 307 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	41.6	Very low	74.2	Confident	243 Å²	243	81.6 Å²	81.6	100%	1.197	44%	0.44	S	S	*	.				0	123.6	0	-74.1	173.2	172.6	0	0	106.8	D3	M1-D3 PolarHBondContact O-N 3.03Å
2	I	52.2	Low	75.4	Confident	146 Å²	146	92.9 Å²	92.9	75%	0.749	47%	0.472	S	S	*	.			trans	-75.8	115.5	175.7	-64.2	167.6	0	0	0	106	Q4	I2-Q4 PolarHBondContact O-N 3.46Å; I2-Q4 VanDerWaalsContact O-N 3.08Å
3	D	59.9	Low	76.5	Confident	102 Å²	102	87.7 Å²	87.7	55%	0.545	45%	0.449	S	S	.	.			trans	-60.6	112.4	174.2	-177.8	8	0	0	0	108.7	M1 S5 Q6	M1-D3 PolarHBondContact O-N 3.03Å; D3-S5 PolarHBondContact O-N 2.92Å; D3-S5 VanDerWaalsContact O-N 3.16Å; D3-S5 VanDerWaalsContact OD1-CB 3.31Å; D3-S5 WeakPolarHBondContact OD1-CB 3.29Å; D3-S5 PolarHBondContact OD1-N 3.27Å; D3-S5 VanDerWaalsContact OD1-N 3.09Å; D3-S5 PolarHBondContact OD1-OG 3.03Å; D3-S5 VanDerWaalsContact OD1-OG 3.13Å; D3-S5 PolarHBondContact OD2-OG 2.93Å; D3-Q6 PolarHBondContact O-N 2.94Å
4	Q	62.6	Low	77.5	Confident	163 Å²	163	82.9 Å²	82.9	76%	0.762	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-64.1	-19.2	-177.1	-65.3	179	17	0	0	111.3	I2 Q6 S7	I2-Q4 PolarHBondContact O-N 3.46Å; I2-Q4 VanDerWaalsContact O-N 3.08Å; Q4-Q6 PolarHBondContact O-N 3.02Å; Q4-S7 PolarHBondContact O-N 2.82Å; Q4-S7 PolarHBondContact O-OG 2.77Å; Q4-S7 VanDerWaalsContact O-OG 3.11Å
5	S	66.6	Low	78.1	Confident	22 Å²	22	83.3 Å²	83.3	15%	0.154	43%	0.425	C	S	.	.	G	3₁₀ helix	trans	-61.9	-30.2	179.5	82.6	0	0	0	0	113.1	D3	D3-S5 PolarHBondContact O-N 2.92Å; D3-S5 VanDerWaalsContact O-N 3.16Å; D3-S5 VanDerWaalsContact OD1-CB 3.31Å; D3-S5 WeakPolarHBondContact OD1-CB 3.29Å; D3-S5 PolarHBondContact OD1-N 3.27Å; D3-S5 VanDerWaalsContact OD1-N 3.09Å; D3-S5 PolarHBondContact OD1-OG 3.03Å; D3-S5 VanDerWaalsContact OD1-OG 3.13Å; D3-S5 PolarHBondContact OD2-OG 2.93Å
6	Q	80.2	Confident	78.6	Confident	33 Å²	33	91.9 Å²	91.9	15%	0.154	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	-97.1	16.3	-176.1	-59.7	-51.5	-53.7	0	0	114.2	D3 Q4 S14 E66	D3-Q6 PolarHBondContact O-N 2.94Å; Q4-Q6 PolarHBondContact O-N 3.02Å; Q6-S14 WeakPolarHBondContact O-CA 3.47Å; Q6-E66 VanDerWaalsContact NE2-C 3.33Å; Q6-E66 PolarHBondContact NE2-O 2.99Å
7	S	88.7	Confident	79.2	Confident	23 Å²	23	92 Å²	92	16%	0.161	46%	0.464	C	S	.	.	B	Isolated β-bridge	trans	-128.8	144.5	-178.4	69.2	0	0	0	0	111.8	Q4 P9 S13	Q4-S7 PolarHBondContact O-N 2.82Å; Q4-S7 PolarHBondContact O-OG 2.77Å; Q4-S7 VanDerWaalsContact O-OG 3.11Å; S7-P9 WeakPolarHBondContact O-CD 3.33Å; S7-S13 CarbonylContact C-O 3.58Å; S7-S13 WeakPolarHBondContact CA-O 3.22Å
8	C	91.3	Very high	79.7	Confident	0 Å²	0	90.2 Å²	90.2	0%	0	46%	0.456	C	S	.	.			trans	-74.7	121.9	174.6	176.7	0	0	0	0	109.5	S10 C11 R12 S13 L23 C33	C8-S10 PolarHBondContact O-N 3.09Å; C8-C11 VanDerWaalsContact CB-SG 3.55Å; C8-C11 VanDerWaalsContact SG-SG 3.64Å; C8-R12 WeakPolarHBondContact O-CA 3.23Å; C8-R12 PolarHBondContact O-N 2.85Å; C8-S13 PolarHBondContact N-O 3.35Å; C8-L23 HydrophobicContact CB-CD2 4.34Å; C8-C33 HydrophobicContact CB-CB 4.02Å; C8-C33 PolarHBondContact SG-N 2.9Å; C8-C33 VanDerWaalsContact SG-N 3.41Å
9	P	90.2	Very high	80.2	Confident	47 Å²	47	91.6 Å²	91.6	31%	0.305	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-21.4	-178.5	26.6	-35.1	0	0	0	113.3	S7 S31 L32 Q50	S7-P9 WeakPolarHBondContact O-CD 3.33Å; P9-S31 WeakPolarHBondContact CD-O 3.38Å; P9-S31 WeakPolarHBondContact CG-O 3.14Å; P9-L32 HydrophobicContact CG-CD2 3.89Å; P9-Q50 HydrophobicContact CB-CG 4.23Å; P9-Q50 HydrophobicContact CG-CG 4.24Å
10	S	90.4	Very high	80.6	Confident	57 Å²	57	95.5 Å²	95.5	40%	0.399	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-49.8	-178.7	176.8	0	0	0	0	113.1	C8	C8-S10 PolarHBondContact O-N 3.09Å
11	C	92.1	Very high	81.1	Confident	62 Å²	62	91.6 Å²	91.6	42%	0.419	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-7	-178.8	66	0	0	0	0	114.1	C8 S13 C36	C8-C11 VanDerWaalsContact CB-SG 3.55Å; C8-C11 VanDerWaalsContact SG-SG 3.64Å; C11-S13 PolarHBondContact O-N 3.35Å; C11-S13 VanDerWaalsContact O-N 3.09Å; C11-S13 VanDerWaalsContact SG-CB 3.59Å; C11-C36 VanDerWaalsContact SG-SG 3.69Å
12	R	89.2	Confident	83.5	Confident	217 Å²	217	85.1 Å²	85.1	82%	0.819	43%	0.433	S	S	*	.			trans	60.3	12.2	-176.5	-52.8	178.3	-175.5	171.1	0.4	114.7	C8	C8-R12 WeakPolarHBondContact O-CA 3.23Å; C8-R12 PolarHBondContact O-N 2.85Å
13	S	89.8	Confident	85.4	Confident	25 Å²	25	78.5 Å²	78.5	18%	0.175	40%	0.4	C	S	.	.			trans	-71.4	139.5	172.2	-166.5	0	0	0	0	109.9	S7 C8 C11 L21	S7-S13 CarbonylContact C-O 3.58Å; S7-S13 WeakPolarHBondContact CA-O 3.22Å; C8-S13 PolarHBondContact N-O 3.35Å; C11-S13 PolarHBondContact O-N 3.35Å; C11-S13 VanDerWaalsContact O-N 3.09Å; C11-S13 VanDerWaalsContact SG-CB 3.59Å; S13-L21 WeakPolarHBondContact O-CD2 3.5Å
14	S	89.6	Confident	87	Confident	21 Å²	21	74.9 Å²	74.9	15%	0.147	38%	0.379	C	S	.	.	B	Isolated β-bridge	trans	-122.5	162.5	176.6	67.8	0	0	0	0	110	Q6 Y16 S17 N18	Q6-S14 WeakPolarHBondContact O-CA 3.47Å; S14-Y16 PolarHBondContact O-N 2.75Å; S14-Y16 VanDerWaalsContact O-N 3.11Å; S14-Y16 PolarHBondContact OG-N 3.41Å; S14-S17 PolarHBondContact O-N 3.18Å; S14-S17 PolarHBondContact OG-N 3.2Å; S14-N18 PolarHBondContact O-N 3.37Å
15	K	86.8	Confident	88.4	Confident	88 Å²	88	67.1 Å²	67.1	38%	0.383	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-25.9	173.5	-69.6	177	179.1	165.1	0	113	N18 P19	K15-N18 CarbonylContact O-C 3.37Å; K15-P19 WeakPolarHBondContact O-CA 3.46Å
16	Y	86.6	Confident	89.7	Confident	221 Å²	221	66.1 Å²	66.1	87%	0.867	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-39.4	176.2	-174.6	-92.6	0	0	0	112.8	S14	S14-Y16 PolarHBondContact O-N 2.75Å; S14-Y16 VanDerWaalsContact O-N 3.11Å; S14-Y16 PolarHBondContact OG-N 3.41Å
17	S	89.3	Confident	90.2	Very high	94 Å²	94	68.6 Å²	68.6	66%	0.657	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-37.5	179.3	-178.1	0	0	0	0	112	S14	S14-S17 PolarHBondContact O-N 3.18Å; S14-S17 PolarHBondContact OG-N 3.2Å
18	N	88.3	Confident	90.2	Very high	60 Å²	60	68 Å²	68	32%	0.321	35%	0.349	S	S	.	.			trans	-132.5	101.5	177.4	-178.9	-2.4	0	0	0	109.5	S14 K15 Q20 L21	S14-N18 PolarHBondContact O-N 3.37Å; K15-N18 CarbonylContact O-C 3.37Å; N18-Q20 PolarHBondContact O-N 2.71Å; N18-Q20 VanDerWaalsContact O-N 3.14Å; N18-Q20 WeakPolarHBondContact OD1-CB 3.48Å; N18-Q20 PolarHBondContact OD1-N 2.64Å; N18-L21 HydrophobicContact CB-CB 4.21Å; N18-L21 WeakPolarHBondContact O-CB 3.24Å; N18-L21 PolarHBondContact O-N 2.82Å
19	P	87.7	Confident	90.2	Very high	117 Å²	117	68.2 Å²	68.2	76%	0.76	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-22.5	178.5	-26.3	35.5	0	0	0	114.3	K15 L21	K15-P19 WeakPolarHBondContact O-CA 3.46Å; P19-L21 VanDerWaalsContact C-N 3.29Å
20	Q	89.1	Confident	90.3	Very high	169 Å²	169	68.4 Å²	68.4	79%	0.79	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	2.3	177.8	-60.8	-178	-15.8	0	0	112.9	N18 K22	N18-Q20 PolarHBondContact O-N 2.71Å; N18-Q20 VanDerWaalsContact O-N 3.14Å; N18-Q20 WeakPolarHBondContact OD1-CB 3.48Å; N18-Q20 PolarHBondContact OD1-N 2.64Å; Q20-K22 PolarHBondContact O-N 3.4Å; Q20-K22 VanDerWaalsContact O-N 3.12Å
21	L	90.4	Very high	90.3	Very high	13 Å²	13	66 Å²	66	7%	0.068	33%	0.331	C	S	.	.			trans	-67.3	110.4	-178	-170.7	73.7	0	0	0	111.3	S13 N18 P19 L23 C33	S13-L21 WeakPolarHBondContact O-CD2 3.5Å; N18-L21 HydrophobicContact CB-CB 4.21Å; N18-L21 WeakPolarHBondContact O-CB 3.24Å; N18-L21 PolarHBondContact O-N 2.82Å; P19-L21 VanDerWaalsContact C-N 3.29Å; L21-L23 HydrophobicContact CD2-CD2 4.23Å; L21-C33 HydrophobicContact CD1-CB 3.43Å; L21-C33 VanDerWaalsContact CD1-CB 3.43Å; L21-C33 HydrophobicContact CG-CB 4.1Å
22	K	92	Very high	90.4	Very high	108 Å²	108	63.2 Å²	63.2	47%	0.47	31%	0.312	S	S	.	.			trans	-89.4	118.7	171.2	-60.8	-177.5	-167.1	164.5	0	110.2	Q20 C33 E34 Y62	Q20-K22 PolarHBondContact O-N 3.4Å; Q20-K22 VanDerWaalsContact O-N 3.12Å; K22-C33 WeakPolarHBondContact O-CA 3.31Å; K22-E34 PolarHBondContact O-N 3.47Å; K22-E34 VanDerWaalsContact O-N 3.08Å; K22-Y62 HydrophobicContact CB-CD1 4.28Å; K22-Y62 HydrophobicContact CB-CE1 4.08Å; K22-Y62 HydrophobicContact CD-CD1 4.41Å; K22-Y62 HydrophobicContact CD-CE1 3.71Å; K22-Y62 HydrophobicContact CG-CE1 4.48Å
23	L	92.3	Very high	90.7	Very high	7 Å²	7	53 Å²	53	4%	0.037	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	139.3	172.6	-66.5	172.2	0	0	0	110.1	C8 L21 C33 Q63	C8-L23 HydrophobicContact CB-CD2 4.34Å; L21-L23 HydrophobicContact CD2-CD2 4.23Å; L23-C33 HydrophobicContact CD2-CB 4.35Å; L23-Q63 HydrophobicContact CB-CB 4.21Å; L23-Q63 VanDerWaalsContact CB-OE1 3.32Å; L23-Q63 WeakPolarHBondContact O-CB 3.29Å; L23-Q63 PolarHBondContact O-N 3.04Å
24	M	93	Very high	90.9	Very high	25 Å²	25	54.7 Å²	54.7	12%	0.123	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	145.6	178.2	-55.6	-175	87.2	0	0	109.8	S31 L32 E34 V37 F60 R61 Y62	M24-S31 CarbonylContact O-C 3.47Å; M24-S31 WeakPolarHBondContact O-CA 3.4Å; M24-L32 PolarHBondContact N-O 3.27Å; M24-L32 PolarHBondContact O-N 2.93Å; M24-E34 HydrophobicContact SD-CB 4.31Å; M24-E34 HydrophobicContact SD-CG 4.37Å; M24-V37 HydrophobicContact CB-CG2 4.38Å; M24-V37 HydrophobicContact SD-CB 4.47Å; M24-V37 HydrophobicContact SD-CG2 4.25Å; M24-F60 HydrophobicContact CB-CB 4.36Å; M24-F60 HydrophobicContact CB-CD1 4.07Å; M24-F60 HydrophobicContact CE-CB 3.86Å; M24-F60 HydrophobicContact SD-CB 4.37Å; M24-R61 CarbonylContact C-O 3.56Å; M24-R61 WeakPolarHBondContact CA-O 3.29Å; M24-R61 WeakPolarHBondContact CB-O 3.4Å; M24-Y62 HydrophobicContact CE-CE1 4.49Å; M24-Y62 HydrophobicContact CG-CD1 4.27Å; M24-Y62 HydrophobicContact CG-CE1 4.5Å
25	V	93.2	Very high	91.1	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	148.8	-179.4	172.8	0	0	0	0	109.4	G29 R61 Q63 P68	V25-G29 WeakPolarHBondContact CG1-O 3.36Å; V25-R61 PolarHBondContact N-O 3.14Å; V25-R61 WeakPolarHBondContact O-CG 3.47Å; V25-R61 PolarHBondContact O-N 2.9Å; V25-Q63 HydrophobicContact CG2-CB 3.95Å; V25-Q63 HydrophobicContact CG2-CG 4.07Å; V25-P68 HydrophobicContact CG2-CB 4.39Å
26	N	92.9	Very high	91.5	Very high	2 Å²	2	55 Å²	55	1%	0.011	28%	0.284	C	S	.	.			trans	-120.8	-171.7	175.3	-151.5	-42.7	0	0	0	110.3	C28 G29 I55 R56 N59 F60	N26-C28 PolarHBondContact O-N 3.42Å; N26-G29 PolarHBondContact O-N 2.9Å; N26-I55 HydrophobicContact CB-CD1 4.27Å; N26-I55 HydrophobicContact CB-CG2 4.48Å; N26-R56 PolarHBondContact ND2-O 3.39Å; N26-R56 VanDerWaalsContact ND2-O 3.08Å; N26-N59 WeakPolarHBondContact OD1-CB 3.37Å; N26-F60 HydrophobicContact CB-CD1 3.98Å; N26-F60 HydrophobicContact CB-CE1 3.89Å; N26-F60 HydrophobicContact CB-CG 4.43Å; N26-F60 HydrophobicContact CB-CZ 4.28Å; N26-F60 VanDerWaalsContact ND2-CD2 3.35Å; N26-F60 WeakPolarHBondContact ND2-CD2 3.28Å; N26-F60 VanDerWaalsContact ND2-CE2 3.35Å; N26-F60 WeakPolarHBondContact ND2-CE2 3.34Å
27	V	90.4	Very high	91.8	Very high	84 Å²	84	44.7 Å²	44.7	51%	0.509	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-24.8	-178.3	-62.9	0	0	0	0	115.1	I55	V27-I55 HydrophobicContact CG2-CG2 3.89Å
28	C	90.5	Very high	92.1	Very high	12 Å²	12	45 Å²	45	8%	0.081	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-3.7	179.2	61.1	0	0	0	0	114	N26 H30 C51	N26-C28 PolarHBondContact O-N 3.42Å; C28-H30 PolarHBondContact O-N 2.82Å; C28-H30 PolarHBondContact O-ND1 2.92Å; C28-H30 PolarHBondContact SG-ND1 3.38Å; C28-C51 VanDerWaalsContact CB-SG 3.52Å
29	G	90.1	Very high	92.4	Very high	3 Å²	3	47.4 Å²	47.4	3%	0.031	25%	0.252	C	S	.	.			trans	81.8	-22.1	-178.9	0	0	0	0	0	114.9	V25 N26 S31 P68	V25-G29 WeakPolarHBondContact CG1-O 3.36Å; N26-G29 PolarHBondContact O-N 2.9Å; G29-S31 PolarHBondContact O-N 2.9Å; G29-P68 WeakPolarHBondContact O-CB 3.49Å
30	H	91.6	Very high	92.6	Very high	52 Å²	52	45.8 Å²	45.8	24%	0.241	24%	0.236	C	C	.	.			trans	-65.7	133.3	-177.6	-61.6	104.4	0	0	0	113.7	C28 Q50 C51	C28-H30 PolarHBondContact O-N 2.82Å; C28-H30 PolarHBondContact O-ND1 2.92Å; C28-H30 PolarHBondContact SG-ND1 3.38Å; H30-Q50 VanDerWaalsContact CD2-CD 3.49Å; H30-Q50 PolarHBondContact CD2-OE1 3.45Å; H30-C51 VanDerWaalsContact CE1-CB 3.44Å; H30-C51 WeakPolarHBondContact CE1-CB 3.4Å; H30-C51 PolarHBondContact CE1-SG 2.86Å; H30-C51 PolarHBondContact ND1-SG 2.9Å
31	S	92.5	Very high	92.9	Very high	6 Å²	6	37.9 Å²	37.9	4%	0.042	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	140.4	179.7	56.3	0	0	0	0	112.1	P9 M24 G29	P9-S31 WeakPolarHBondContact CD-O 3.38Å; P9-S31 WeakPolarHBondContact CG-O 3.14Å; M24-S31 CarbonylContact O-C 3.47Å; M24-S31 WeakPolarHBondContact O-CA 3.4Å; G29-S31 PolarHBondContact O-N 2.9Å
32	L	93.4	Very high	93	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.016	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	144.4	171.4	-74.4	173.2	0	0	0	108.8	P9 M24 V37 L40 F41 F60	P9-L32 HydrophobicContact CG-CD2 3.89Å; M24-L32 PolarHBondContact N-O 3.27Å; M24-L32 PolarHBondContact O-N 2.93Å; L32-V37 HydrophobicContact CB-CG2 3.74Å; L32-V37 HydrophobicContact CD1-CG2 4.37Å; L32-L40 HydrophobicContact CD1-CD1 4.46Å; L32-L40 HydrophobicContact CD2-CD1 4.43Å; L32-F41 HydrophobicContact CD1-CE2 3.93Å; L32-F60 HydrophobicContact CD1-CE1 4.1Å; L32-F60 HydrophobicContact CD1-CZ 4.13Å
33	C	94.4	Very high	93	Very high	3 Å²	3	49 Å²	49	2%	0.02	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	154.1	173	70.8	0	0	0	0	111.8	C8 L21 K22 L23 N35 C36 V37	C8-C33 HydrophobicContact CB-CB 4.02Å; C8-C33 PolarHBondContact SG-N 2.9Å; C8-C33 VanDerWaalsContact SG-N 3.41Å; L21-C33 HydrophobicContact CD1-CB 3.43Å; L21-C33 VanDerWaalsContact CD1-CB 3.43Å; L21-C33 HydrophobicContact CG-CB 4.1Å; K22-C33 WeakPolarHBondContact O-CA 3.31Å; L23-C33 HydrophobicContact CD2-CB 4.35Å; C33-N35 VanDerWaalsContact C-N 3.29Å; C33-N35 PolarHBondContact O-N 3.11Å; C33-C36 PolarHBondContact O-N 3.14Å; C33-C36 PolarHBondContact SG-N 3.01Å; C33-C36 PolarHBondContact SG-SG 3.34Å; C33-V37 PolarHBondContact O-N 3.48Å
34	E	94.3	Very high	93	Very high	60 Å²	60	50.1 Å²	50.1	28%	0.28	26%	0.264	S	S	.	.	H	α-helix	trans	-47.6	-48.5	178.9	-173	171.6	-168.5	0	0	112.4	K22 M24 C36 V37 E38	K22-E34 PolarHBondContact O-N 3.47Å; K22-E34 VanDerWaalsContact O-N 3.08Å; M24-E34 HydrophobicContact SD-CB 4.31Å; M24-E34 HydrophobicContact SD-CG 4.37Å; E34-C36 PolarHBondContact O-N 2.96Å; E34-V37 WeakPolarHBondContact O-CB 3.4Å; E34-V37 PolarHBondContact O-N 2.85Å; E34-V37 VanDerWaalsContact O-N 3.16Å; E34-E38 PolarHBondContact O-N 3.05Å
35	N	93.8	Very high	93.1	Very high	104 Å²	104	52.4 Å²	52.4	56%	0.556	28%	0.282	S	S	*	.	H	α-helix	trans	-61.3	-41.5	177.7	-57.7	89.5	0	0	0	113.2	C33 V37 E38 V39	C33-N35 VanDerWaalsContact C-N 3.29Å; C33-N35 PolarHBondContact O-N 3.11Å; N35-V37 VanDerWaalsContact C-N 3.33Å; N35-E38 PolarHBondContact O-N 3.37Å; N35-V39 VanDerWaalsContact O-CG2 3.29Å; N35-V39 WeakPolarHBondContact O-CG2 3.47Å; N35-V39 PolarHBondContact O-N 2.99Å
36	C	94.8	Very high	93.1	Very high	12 Å²	12	53.6 Å²	53.6	8%	0.081	29%	0.294	C	S	.	.	H	α-helix	trans	-68.6	-34.2	177.4	-77.7	0	0	0	0	111.7	C11 C33 E34 E38 V39 L40	C11-C36 VanDerWaalsContact SG-SG 3.69Å; C33-C36 PolarHBondContact O-N 3.14Å; C33-C36 PolarHBondContact SG-N 3.01Å; C33-C36 PolarHBondContact SG-SG 3.34Å; E34-C36 PolarHBondContact O-N 2.96Å; C36-E38 VanDerWaalsContact C-N 3.33Å; C36-V39 PolarHBondContact O-N 3.12Å; C36-L40 HydrophobicContact CB-CD1 4.43Å; C36-L40 VanDerWaalsContact O-CB 3.22Å; C36-L40 WeakPolarHBondContact O-CB 3.39Å; C36-L40 VanDerWaalsContact O-CG 3.24Å; C36-L40 WeakPolarHBondContact O-CG 3.23Å; C36-L40 PolarHBondContact O-N 2.7Å
37	V	94.9	Very high	93.2	Very high	5 Å²	5	58.9 Å²	58.9	3%	0.03	32%	0.322	C	S	.	.	H	α-helix	trans	-62.6	-43.1	173.9	175.1	0	0	0	0	110.3	M24 L32 C33 E34 N35 F41 K57 F60	M24-V37 HydrophobicContact CB-CG2 4.38Å; M24-V37 HydrophobicContact SD-CB 4.47Å; M24-V37 HydrophobicContact SD-CG2 4.25Å; L32-V37 HydrophobicContact CB-CG2 3.74Å; L32-V37 HydrophobicContact CD1-CG2 4.37Å; C33-V37 PolarHBondContact O-N 3.48Å; E34-V37 WeakPolarHBondContact O-CB 3.4Å; E34-V37 PolarHBondContact O-N 2.85Å; E34-V37 VanDerWaalsContact O-N 3.16Å; N35-V37 VanDerWaalsContact C-N 3.33Å; V37-F41 HydrophobicContact CG1-CD2 4.36Å; V37-F41 WeakPolarHBondContact O-CB 3.11Å; V37-F41 WeakPolarHBondContact O-CD2 3.38Å; V37-F41 PolarHBondContact O-N 3.32Å; V37-F41 VanDerWaalsContact O-N 3.13Å; V37-K57 HydrophobicContact CG1-CG 4.27Å; V37-F60 HydrophobicContact CG1-CB 4.46Å; V37-F60 HydrophobicContact CG1-CD1 4.34Å; V37-F60 HydrophobicContact CG1-CD2 3.67Å; V37-F60 HydrophobicContact CG1-CE2 3.85Å; V37-F60 HydrophobicContact CG1-CG 3.91Å; V37-F60 HydrophobicContact CG1-CZ 4.26Å; V37-F60 HydrophobicContact CG2-CD1 3.83Å; V37-F60 HydrophobicContact CG2-CE1 3.76Å; V37-F60 HydrophobicContact CG2-CE2 4.48Å; V37-F60 HydrophobicContact CG2-CG 4.22Å; V37-F60 HydrophobicContact CG2-CZ 4.08Å
38	E	94	Very high	93.3	Very high	100 Å²	100	55.1 Å²	55.1	47%	0.467	30%	0.3	S	S	.	.	H	α-helix	trans	-65	-42.8	177.8	-68.7	-176	158.9	0	0	113.2	E34 N35 C36 V42	E34-E38 PolarHBondContact O-N 3.05Å; N35-E38 PolarHBondContact O-N 3.37Å; C36-E38 VanDerWaalsContact C-N 3.33Å; E38-V42 WeakPolarHBondContact O-CG2 3.46Å
39	V	94.2	Very high	93.3	Very high	111 Å²	111	57.3 Å²	57.3	67%	0.673	32%	0.319	S	S	*	.	H	α-helix	trans	-74.6	-41	-177.9	174.1	0	0	0	0	112.5	N35 C36 V42	N35-V39 VanDerWaalsContact O-CG2 3.29Å; N35-V39 WeakPolarHBondContact O-CG2 3.47Å; N35-V39 PolarHBondContact O-N 2.99Å; C36-V39 PolarHBondContact O-N 3.12Å; V39-V42 WeakPolarHBondContact O-CG2 3.27Å
40	L	92.8	Very high	93.3	Very high	83 Å²	83	61.9 Å²	61.9	44%	0.435	34%	0.339	S	S	.	.	H	α-helix	trans	-78.5	-32.1	-177	-66.6	173.4	0	0	0	112.6	L32 C36	L32-L40 HydrophobicContact CD1-CD1 4.46Å; L32-L40 HydrophobicContact CD2-CD1 4.43Å; C36-L40 HydrophobicContact CB-CD1 4.43Å; C36-L40 VanDerWaalsContact O-CB 3.22Å; C36-L40 WeakPolarHBondContact O-CB 3.39Å; C36-L40 VanDerWaalsContact O-CG 3.24Å; C36-L40 WeakPolarHBondContact O-CG 3.23Å; C36-L40 PolarHBondContact O-N 2.7Å
41	F	94.8	Very high	93.3	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.009	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	34.3	-174.1	-59.8	-90.2	0	0	0	112.9	L32 V37 R43 G44 I55 K57 F60	L32-F41 HydrophobicContact CD1-CE2 3.93Å; V37-F41 HydrophobicContact CG1-CD2 4.36Å; V37-F41 WeakPolarHBondContact O-CB 3.11Å; V37-F41 WeakPolarHBondContact O-CD2 3.38Å; V37-F41 PolarHBondContact O-N 3.32Å; V37-F41 VanDerWaalsContact O-N 3.13Å; F41-R43 PolarHBondContact O-N 3.16Å; F41-G44 WeakPolarHBondContact O-CA 3.35Å; F41-G44 PolarHBondContact O-N 3.08Å; F41-I55 HydrophobicContact CD1-CG1 4.48Å; F41-I55 HydrophobicContact CE1-CD1 3.95Å; F41-I55 HydrophobicContact CE1-CG1 3.45Å; F41-I55 VanDerWaalsContact CE1-CG1 3.45Å; F41-I55 HydrophobicContact CE2-CD1 4.44Å; F41-I55 HydrophobicContact CZ-CD1 3.58Å; F41-I55 HydrophobicContact CZ-CG1 3.65Å; F41-K57 HydrophobicContact CB-CB 4.11Å; F41-K57 HydrophobicContact CB-CD 4.44Å; F41-K57 HydrophobicContact CB-CG 4.3Å; F41-F60 HydrophobicContact CD1-CE2 4.5Å; F41-F60 AromaticContact CD2-CE2 4Å; F41-F60 HydrophobicContact CD2-CE2 4Å; F41-F60 HydrophobicContact CD2-CZ 4.1Å; F41-F60 HydrophobicContact CE1-CE2 4.49Å; F41-F60 AromaticContact CE2-CE2 4Å; F41-F60 HydrophobicContact CE2-CE2 4Å; F41-F60 AromaticContact CE2-CZ 3.68Å; F41-F60 HydrophobicContact CE2-CZ 3.68Å; F41-F60 HydrophobicContact CG-CE2 4.28Å; F41-F60 HydrophobicContact CZ-CE2 4.27Å; F41-F60 AromaticContact CZ-CZ 3.99Å; F41-F60 HydrophobicContact CZ-CZ 3.99Å
42	V	93.3	Very high	93.3	Very high	117 Å²	117	68.9 Å²	68.9	71%	0.709	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-36	176.7	175.9	0	0	0	0	112.1	E38 V39 G44	E38-V42 WeakPolarHBondContact O-CG2 3.46Å; V39-V42 WeakPolarHBondContact O-CG2 3.27Å; V42-G44 PolarHBondContact O-N 3.35Å
43	R	92.7	Very high	93.2	Very high	237 Å²	237	71.3 Å²	71.3	89%	0.894	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-0.3	176.4	-65.7	-175.3	175.3	94.4	-1	114.1	F41 S45	F41-R43 PolarHBondContact O-N 3.16Å; R43-S45 VanDerWaalsContact C-N 3.26Å; R43-S45 PolarHBondContact O-N 3.09Å
44	G	92.4	Very high	93.2	Very high	32 Å²	32	76.1 Å²	76.1	33%	0.33	42%	0.42	S	S	.	.	S	Bend	trans	85.4	-23.4	-178.7	0	0	0	0	0	115	F41 V42 K57	F41-G44 WeakPolarHBondContact O-CA 3.35Å; F41-G44 PolarHBondContact O-N 3.08Å; V42-G44 PolarHBondContact O-N 3.35Å; G44-K57 WeakPolarHBondContact O-CB 3.37Å; G44-K57 PolarHBondContact O-N 2.76Å
45	S	93.9	Very high	93.2	Very high	73 Å²	73	73.5 Å²	73.5	51%	0.51	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	156.9	173.2	61.6	0	0	0	0	111.1	R43 I55	R43-S45 VanDerWaalsContact C-N 3.26Å; R43-S45 PolarHBondContact O-N 3.09Å; S45-I55 WeakPolarHBondContact CA-O 3.12Å
46	G	93.9	Very high	93.2	Very high	25 Å²	25	77 Å²	77	26%	0.258	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.4	-174.1	-178.4	0	0	0	0	0	112	I55	G46-I55 PolarHBondContact N-O 3.45Å; G46-I55 PolarHBondContact O-N 3.47Å; G46-I55 VanDerWaalsContact O-O 3.11Å
47	L	94.3	Very high	93.2	Very high	112 Å²	112	80 Å²	80	59%	0.586	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.4	143.9	176.4	-55.4	178.6	0	0	0	109.6	P54	L47-P54 HydrophobicContact CD2-CB 4.2Å
48	C	93.5	Very high	93.1	Very high	6 Å²	6	87 Å²	87	4%	0.041	46%	0.463	C	S	.	.			trans	-59.7	138.4	170.6	-179.9	0	0	0	0	110.9	Q50 C51 K52 T53 I55	C48-Q50 PolarHBondContact O-N 2.79Å; C48-C51 WeakPolarHBondContact CB-SG 3.44Å; C48-C51 PolarHBondContact SG-SG 2.87Å; C48-K52 WeakPolarHBondContact O-CA 3.36Å; C48-K52 PolarHBondContact O-N 3.02Å; C48-T53 PolarHBondContact N-O 2.93Å; C48-I55 HydrophobicContact CB-CD1 4Å
49	A	89.8	Confident	93.1	Very high	58 Å²	58	86.3 Å²	86.3	48%	0.479	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-25.7	-178.8	0	0	0	0	0	114
50	Q	90	Very high	93.1	Very high	98 Å²	98	82 Å²	82	46%	0.458	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-62.9	-176.7	-69.9	173.7	-63.4	0	0	111.9	P9 H30 C48	P9-Q50 HydrophobicContact CB-CG 4.23Å; P9-Q50 HydrophobicContact CG-CG 4.24Å; H30-Q50 VanDerWaalsContact CD2-CD 3.49Å; H30-Q50 PolarHBondContact CD2-OE1 3.45Å; C48-Q50 PolarHBondContact O-N 2.79Å
51	C	91.4	Very high	93.1	Very high	52 Å²	52	81.3 Å²	81.3	35%	0.351	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-5.4	-176.3	58.6	0	0	0	0	115	C28 H30 C48 T53	C28-C51 VanDerWaalsContact CB-SG 3.52Å; H30-C51 VanDerWaalsContact CE1-CB 3.44Å; H30-C51 WeakPolarHBondContact CE1-CB 3.4Å; H30-C51 PolarHBondContact CE1-SG 2.86Å; H30-C51 PolarHBondContact ND1-SG 2.9Å; C48-C51 WeakPolarHBondContact CB-SG 3.44Å; C48-C51 PolarHBondContact SG-SG 2.87Å; C51-T53 PolarHBondContact O-N 3.25Å; C51-T53 PolarHBondContact SG-OG1 3.42Å
52	K	92.2	Very high	93	Very high	153 Å²	153	86.7 Å²	86.7	67%	0.665	45%	0.447	S	S	*	.			trans	57.3	17.2	-176	-54.2	176.3	-177	175.6	0	114.8	C48	C48-K52 WeakPolarHBondContact O-CA 3.36Å; C48-K52 PolarHBondContact O-N 3.02Å
53	T	91.9	Very high	92.9	Very high	55 Å²	55	82.2 Å²	82.2	34%	0.337	42%	0.418	S	S	.	.			trans	-63.5	135	171.7	-53.6	0	0	0	0	110.1	C48 C51 I55	C48-T53 PolarHBondContact N-O 2.93Å; C51-T53 PolarHBondContact O-N 3.25Å; C51-T53 PolarHBondContact SG-OG1 3.42Å; T53-I55 HydrophobicContact CG2-CG2 4.45Å; T53-I55 PolarHBondContact O-N 3.08Å
54	P	94.3	Very high	92.7	Very high	103 Å²	103	77.5 Å²	77.5	67%	0.669	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.2	121.2	175.8	27.4	-34.3	0	0	0	110.5	L47	L47-P54 HydrophobicContact CD2-CB 4.2Å
55	I	94.5	Very high	92.5	Very high	6 Å²	6	80.1 Å²	80.1	3%	0.031	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	151.8	-177	63	-179.8	0	0	0	111.6	N26 V27 F41 S45 G46 C48 T53 F60	N26-I55 HydrophobicContact CB-CD1 4.27Å; N26-I55 HydrophobicContact CB-CG2 4.48Å; V27-I55 HydrophobicContact CG2-CG2 3.89Å; F41-I55 HydrophobicContact CD1-CG1 4.48Å; F41-I55 HydrophobicContact CE1-CD1 3.95Å; F41-I55 HydrophobicContact CE1-CG1 3.45Å; F41-I55 VanDerWaalsContact CE1-CG1 3.45Å; F41-I55 HydrophobicContact CE2-CD1 4.44Å; F41-I55 HydrophobicContact CZ-CD1 3.58Å; F41-I55 HydrophobicContact CZ-CG1 3.65Å; S45-I55 WeakPolarHBondContact CA-O 3.12Å; G46-I55 PolarHBondContact N-O 3.45Å; G46-I55 PolarHBondContact O-N 3.47Å; G46-I55 VanDerWaalsContact O-O 3.11Å; C48-I55 HydrophobicContact CB-CD1 4Å; T53-I55 HydrophobicContact CG2-CG2 4.45Å; T53-I55 PolarHBondContact O-N 3.08Å; I55-F60 HydrophobicContact CD1-CE1 4.29Å; I55-F60 HydrophobicContact CD1-CE2 4.1Å; I55-F60 HydrophobicContact CD1-CZ 3.5Å; I55-F60 VanDerWaalsContact CD1-CZ 3.5Å; I55-F60 HydrophobicContact CG1-CE2 4.47Å; I55-F60 HydrophobicContact CG1-CZ 4.33Å
56	R	94.5	Very high	92.1	Very high	178 Å²	178	83.9 Å²	83.9	67%	0.672	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.4	145.5	179.8	-63.6	-176.5	179.8	-165.5	-0.7	110.5	N26 N58 N59	N26-R56 PolarHBondContact ND2-O 3.39Å; N26-R56 VanDerWaalsContact ND2-O 3.08Å; R56-N58 VanDerWaalsContact C-N 3.29Å; R56-N58 PolarHBondContact O-N 2.98Å; R56-N59 PolarHBondContact O-N 3.1Å
57	K	93.7	Very high	91.8	Very high	75 Å²	75	85.8 Å²	85.8	33%	0.326	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-59	-38.5	178.8	-169.7	177.2	178	-179.6	0	112.3	V37 F41 G44 N59 F60	V37-K57 HydrophobicContact CG1-CG 4.27Å; F41-K57 HydrophobicContact CB-CB 4.11Å; F41-K57 HydrophobicContact CB-CD 4.44Å; F41-K57 HydrophobicContact CB-CG 4.3Å; G44-K57 WeakPolarHBondContact O-CB 3.37Å; G44-K57 PolarHBondContact O-N 2.76Å; K57-N59 PolarHBondContact O-N 3.3Å; K57-F60 WeakPolarHBondContact O-CD2 3.35Å; K57-F60 PolarHBondContact O-N 2.87Å
58	N	93.9	Very high	91.5	Very high	152 Å²	152	81.2 Å²	81.2	81%	0.813	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-71.3	-15.5	-176.9	-62	10.4	0	0	0	113.9	R56	R56-N58 VanDerWaalsContact C-N 3.29Å; R56-N58 PolarHBondContact O-N 2.98Å
59	N	93.4	Very high	91.3	Very high	84 Å²	84	85.1 Å²	85.1	45%	0.449	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-92.3	-0	-178.7	-71	68.2	0	0	0	112.7	N26 R56 K57	N26-N59 WeakPolarHBondContact OD1-CB 3.37Å; R56-N59 PolarHBondContact O-N 3.1Å; K57-N59 PolarHBondContact O-N 3.3Å
60	F	94	Very high	91.4	Very high	20 Å²	20	84.9 Å²	84.9	9%	0.088	42%	0.415	C	S	.	.			trans	-72.9	136.9	171.5	-77.1	-86.3	0	0	0	110.4	M24 N26 L32 V37 F41 I55 K57	M24-F60 HydrophobicContact CB-CB 4.36Å; M24-F60 HydrophobicContact CB-CD1 4.07Å; M24-F60 HydrophobicContact CE-CB 3.86Å; M24-F60 HydrophobicContact SD-CB 4.37Å; N26-F60 HydrophobicContact CB-CD1 3.98Å; N26-F60 HydrophobicContact CB-CE1 3.89Å; N26-F60 HydrophobicContact CB-CG 4.43Å; N26-F60 HydrophobicContact CB-CZ 4.28Å; N26-F60 VanDerWaalsContact ND2-CD2 3.35Å; N26-F60 WeakPolarHBondContact ND2-CD2 3.28Å; N26-F60 VanDerWaalsContact ND2-CE2 3.35Å; N26-F60 WeakPolarHBondContact ND2-CE2 3.34Å; L32-F60 HydrophobicContact CD1-CE1 4.1Å; L32-F60 HydrophobicContact CD1-CZ 4.13Å; V37-F60 HydrophobicContact CG1-CB 4.46Å; V37-F60 HydrophobicContact CG1-CD1 4.34Å; V37-F60 HydrophobicContact CG1-CD2 3.67Å; V37-F60 HydrophobicContact CG1-CE2 3.85Å; V37-F60 HydrophobicContact CG1-CG 3.91Å; V37-F60 HydrophobicContact CG1-CZ 4.26Å; V37-F60 HydrophobicContact CG2-CD1 3.83Å; V37-F60 HydrophobicContact CG2-CE1 3.76Å; V37-F60 HydrophobicContact CG2-CE2 4.48Å; V37-F60 HydrophobicContact CG2-CG 4.22Å; V37-F60 HydrophobicContact CG2-CZ 4.08Å; F41-F60 HydrophobicContact CD1-CE2 4.5Å; F41-F60 AromaticContact CD2-CE2 4Å; F41-F60 HydrophobicContact CD2-CE2 4Å; F41-F60 HydrophobicContact CD2-CZ 4.1Å; F41-F60 HydrophobicContact CE1-CE2 4.49Å; F41-F60 AromaticContact CE2-CE2 4Å; F41-F60 HydrophobicContact CE2-CE2 4Å; F41-F60 AromaticContact CE2-CZ 3.68Å; F41-F60 HydrophobicContact CE2-CZ 3.68Å; F41-F60 HydrophobicContact CG-CE2 4.28Å; F41-F60 HydrophobicContact CZ-CE2 4.27Å; F41-F60 AromaticContact CZ-CZ 3.99Å; F41-F60 HydrophobicContact CZ-CZ 3.99Å; I55-F60 HydrophobicContact CD1-CE1 4.29Å; I55-F60 HydrophobicContact CD1-CE2 4.1Å; I55-F60 HydrophobicContact CD1-CZ 3.5Å; I55-F60 VanDerWaalsContact CD1-CZ 3.5Å; I55-F60 HydrophobicContact CG1-CE2 4.47Å; I55-F60 HydrophobicContact CG1-CZ 4.33Å; K57-F60 WeakPolarHBondContact O-CD2 3.35Å; K57-F60 PolarHBondContact O-N 2.87Å
61	R	93	Very high	91.4	Very high	69 Å²	69	80.6 Å²	80.6	26%	0.26	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	156.9	175.1	54	169.9	-179.5	-102.1	-3.7	109.6	M24 V25 D75	M24-R61 CarbonylContact C-O 3.56Å; M24-R61 WeakPolarHBondContact CA-O 3.29Å; M24-R61 WeakPolarHBondContact CB-O 3.4Å; V25-R61 PolarHBondContact N-O 3.14Å; V25-R61 WeakPolarHBondContact O-CG 3.47Å; V25-R61 PolarHBondContact O-N 2.9Å; R61-D75 IonicContact CZ-OD1 2.95Å; R61-D75 IonicContact CZ-OD2 3.22Å; R61-D75 IonicContact NE-OD1 3.56Å; R61-D75 IonicContact NH1-OD1 3.57Å; R61-D75 PolarHBondContact NH1-OD1 3.18Å; R61-D75 IonicContact NH1-OD2 3.9Å; R61-D75 PolarHBondContact NH1-OD2 2.94Å; R61-D75 IonicContact NH2-OD1 3.92Å; R61-D75 PolarHBondContact NH2-OD1 3.22Å; R61-D75 IonicContact NH2-OD2 3.85Å; R61-D75 PolarHBondContact NH2-OD2 3.34Å
62	Y	92.9	Very high	91.4	Very high	116 Å²	116	78.8 Å²	78.8	46%	0.455	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	139.4	173.3	-65.7	-69.7	0	0	0	111	K22 M24 L64	K22-Y62 HydrophobicContact CB-CD1 4.28Å; K22-Y62 HydrophobicContact CB-CE1 4.08Å; K22-Y62 HydrophobicContact CD-CD1 4.41Å; K22-Y62 HydrophobicContact CD-CE1 3.71Å; K22-Y62 HydrophobicContact CG-CE1 4.48Å; M24-Y62 HydrophobicContact CE-CE1 4.49Å; M24-Y62 HydrophobicContact CG-CD1 4.27Å; M24-Y62 HydrophobicContact CG-CE1 4.5Å; Y62-L64 PolarHBondContact O-N 3.05Å
63	Q	90.7	Very high	91.6	Very high	23 Å²	23	74.5 Å²	74.5	11%	0.107	36%	0.364	C	S	.	.			trans	-73.9	116.5	174.1	-179.1	172.7	2.8	0	0	109.5	L23 V25 F65 E66	L23-Q63 HydrophobicContact CB-CB 4.21Å; L23-Q63 VanDerWaalsContact CB-OE1 3.32Å; L23-Q63 WeakPolarHBondContact O-CB 3.29Å; L23-Q63 PolarHBondContact O-N 3.04Å; V25-Q63 HydrophobicContact CG2-CB 3.95Å; V25-Q63 HydrophobicContact CG2-CG 4.07Å; Q63-F65 WeakPolarHBondContact CG-O 3.47Å; Q63-F65 PolarHBondContact NE2-O 3.49Å; Q63-E66 PolarHBondContact NE2-O 3.44Å
64	L	88.8	Confident	91.6	Very high	137 Å²	137	73.8 Å²	73.8	72%	0.717	36%	0.358	S	S	*	.			trans	-89.9	-35.4	-179.9	-61.7	176.8	0	0	0	112.5	Y62	Y62-L64 PolarHBondContact O-N 3.05Å
65	F	88.2	Confident	91.6	Very high	88 Å²	88	71.1 Å²	71.1	39%	0.386	34%	0.338	S	S	.	.	S	Bend	trans	-100	150.5	-179.2	-58.3	-75.4	0	0	0	111.2	Q63 D67 V70 Q71 I74	Q63-F65 WeakPolarHBondContact CG-O 3.47Å; Q63-F65 PolarHBondContact NE2-O 3.49Å; F65-D67 VanDerWaalsContact C-N 3.33Å; F65-V70 HydrophobicContact CB-CB 4.45Å; F65-V70 HydrophobicContact CB-CG1 4.41Å; F65-V70 HydrophobicContact CD1-CG1 4.28Å; F65-V70 HydrophobicContact CD2-CG1 4.08Å; F65-V70 HydrophobicContact CE2-CG1 4.48Å; F65-V70 HydrophobicContact CG-CG1 3.98Å; F65-Q71 HydrophobicContact CD2-CB 4.24Å; F65-I74 HydrophobicContact CD2-CD1 4.07Å; F65-I74 HydrophobicContact CE2-CD1 3.3Å; F65-I74 HydrophobicContact CZ-CD1 3.57Å
66	E	86	Confident	91.6	Very high	151 Å²	151	72.1 Å²	72.1	71%	0.706	34%	0.343	S	S	*	.	S	Bend	trans	-58.8	-48.2	173	-68.2	-179	176.8	0	0	110.4	Q6 Q63 P68	Q6-E66 VanDerWaalsContact NE2-C 3.33Å; Q6-E66 PolarHBondContact NE2-O 2.99Å; Q63-E66 PolarHBondContact NE2-O 3.44Å; E66-P68 VanDerWaalsContact O-CD 3.31Å; E66-P68 WeakPolarHBondContact O-CD 3.36Å
67	D	87.7	Confident	91.7	Very high	66 Å²	66	67.1 Å²	67.1	35%	0.353	32%	0.324	S	S	.	.	S	Bend	trans	-81.7	118.3	176.2	-172.4	-4.5	0	0	0	111.9	F65 L69 V70	F65-D67 VanDerWaalsContact C-N 3.33Å; D67-L69 PolarHBondContact O-N 3.27Å; D67-L69 WeakPolarHBondContact OD1-CB 3.4Å; D67-L69 PolarHBondContact OD1-N 2.92Å; D67-V70 HydrophobicContact CB-CB 4.45Å; D67-V70 HydrophobicContact CB-CG2 3.89Å; D67-V70 PolarHBondContact O-N 3.5Å
68	P	87.4	Confident	91.7	Very high	16 Å²	16	70.2 Å²	70.2	10%	0.104	34%	0.337	C	S	.	.	H	α-helix	trans	-60.3	-28.2	172.9	18.8	-27.8	0	0	0	114.5	V25 G29 E66 Q71 K72	V25-P68 HydrophobicContact CG2-CB 4.39Å; G29-P68 WeakPolarHBondContact O-CB 3.49Å; E66-P68 VanDerWaalsContact O-CD 3.31Å; E66-P68 WeakPolarHBondContact O-CD 3.36Å; P68-Q71 PolarHBondContact O-N 3.09Å; P68-K72 PolarHBondContact O-N 2.95Å
69	L	89.6	Confident	91.7	Very high	87 Å²	87	69.8 Å²	69.8	46%	0.455	33%	0.328	S	S	.	.	H	α-helix	trans	-67.1	-40	-179	-64.4	176.5	0	0	0	111.4	D67 Q71 K72 E73	D67-L69 PolarHBondContact O-N 3.27Å; D67-L69 WeakPolarHBondContact OD1-CB 3.4Å; D67-L69 PolarHBondContact OD1-N 2.92Å; L69-Q71 PolarHBondContact O-N 3.48Å; L69-K72 WeakPolarHBondContact O-CA 3.46Å; L69-K72 WeakPolarHBondContact O-CB 3.43Å; L69-K72 PolarHBondContact O-N 3.37Å; L69-E73 PolarHBondContact O-N 3.25Å
70	V	91.9	Very high	91.8	Very high	53 Å²	53	66 Å²	66	32%	0.321	31%	0.308	S	S	.	.	H	α-helix	trans	-57.2	-42	174.2	174.4	0	0	0	0	110.6	F65 D67 E73 I74	F65-V70 HydrophobicContact CB-CB 4.45Å; F65-V70 HydrophobicContact CB-CG1 4.41Å; F65-V70 HydrophobicContact CD1-CG1 4.28Å; F65-V70 HydrophobicContact CD2-CG1 4.08Å; F65-V70 HydrophobicContact CE2-CG1 4.48Å; F65-V70 HydrophobicContact CG-CG1 3.98Å; D67-V70 HydrophobicContact CB-CB 4.45Å; D67-V70 HydrophobicContact CB-CG2 3.89Å; D67-V70 PolarHBondContact O-N 3.5Å; V70-E73 PolarHBondContact O-N 2.62Å; V70-I74 HydrophobicContact CG1-CD1 3.78Å; V70-I74 HydrophobicContact CG1-CG1 4.5Å; V70-I74 WeakPolarHBondContact O-CD1 3.31Å; V70-I74 VanDerWaalsContact O-CG1 3.25Å; V70-I74 WeakPolarHBondContact O-CG1 3.5Å; V70-I74 PolarHBondContact O-N 3.13Å
71	Q	89.4	Confident	91.9	Very high	9 Å²	9	69.1 Å²	69.1	4%	0.042	33%	0.325	C	S	.	.	H	α-helix	trans	-67.1	-37.7	176.6	-170.7	66.3	59.5	0	0	112.4	F65 P68 L69 D75	F65-Q71 HydrophobicContact CD2-CB 4.24Å; P68-Q71 PolarHBondContact O-N 3.09Å; L69-Q71 PolarHBondContact O-N 3.48Å; Q71-D75 PolarHBondContact NE2-OD1 2.92Å; Q71-D75 PolarHBondContact O-N 2.69Å; Q71-D75 VanDerWaalsContact O-N 3.1Å
72	K	92.2	Very high	91.8	Very high	14 Å²	14	68.2 Å²	68.2	6%	0.061	33%	0.329	C	S	.	.	H	α-helix	trans	-62	-47.1	174.4	-173.7	-173.8	177.5	-171.2	0	110.2	P68 L69 D75 I76 T112 D114	P68-K72 PolarHBondContact O-N 2.95Å; L69-K72 WeakPolarHBondContact O-CA 3.46Å; L69-K72 WeakPolarHBondContact O-CB 3.43Å; L69-K72 PolarHBondContact O-N 3.37Å; K72-D75 WeakPolarHBondContact O-CA 3.35Å; K72-D75 PolarHBondContact O-N 3.3Å; K72-I76 HydrophobicContact CG-CD1 3.91Å; K72-I76 WeakPolarHBondContact O-CG1 3.34Å; K72-I76 PolarHBondContact O-N 3.31Å; K72-T112 WeakPolarHBondContact CE-O 3.5Å; K72-T112 PolarHBondContact NZ-O 3.4Å; K72-D114 IonicContact NZ-OD1 2.8Å; K72-D114 PolarHBondContact NZ-OD1 3.23Å; K72-D114 IonicContact NZ-OD2 3.6Å; K72-D114 PolarHBondContact NZ-OD2 3.14Å
73	E	94.8	Very high	91.8	Very high	63 Å²	63	63.3 Å²	63.3	29%	0.294	31%	0.311	S	S	.	.	H	α-helix	trans	-61	-49.9	179.5	-167.5	-158.2	135.7	0	0	111.5	L69 V70 D75 I76 R77 I108 T112	L69-E73 PolarHBondContact O-N 3.25Å; V70-E73 PolarHBondContact O-N 2.62Å; E73-D75 PolarHBondContact O-N 3.11Å; E73-I76 PolarHBondContact O-N 3.26Å; E73-I76 VanDerWaalsContact O-N 3.13Å; E73-R77 WeakPolarHBondContact O-CB 3.37Å; E73-R77 PolarHBondContact O-N 2.83Å; E73-R77 IonicContact OE1-CZ 2.94Å; E73-R77 IonicContact OE1-NE 3.02Å; E73-R77 PolarHBondContact OE1-NE 2.85Å; E73-R77 IonicContact OE1-NH2 2.65Å; E73-R77 PolarHBondContact OE1-NH2 3.44Å; E73-I108 HydrophobicContact CG-CG2 3.68Å; E73-T112 HydrophobicContact CB-CG2 4.03Å; E73-T112 HydrophobicContact CG-CG2 4.43Å
74	I	93.7	Very high	92	Very high	40 Å²	40	62.5 Å²	62.5	21%	0.205	31%	0.307	C	S	.	.	H	α-helix	trans	-58.5	-39.6	178	-69.3	165.9	0	0	0	110.7	F65 V70 K78	F65-I74 HydrophobicContact CD2-CD1 4.07Å; F65-I74 HydrophobicContact CE2-CD1 3.3Å; F65-I74 HydrophobicContact CZ-CD1 3.57Å; V70-I74 HydrophobicContact CG1-CD1 3.78Å; V70-I74 HydrophobicContact CG1-CG1 4.5Å; V70-I74 WeakPolarHBondContact O-CD1 3.31Å; V70-I74 VanDerWaalsContact O-CG1 3.25Å; V70-I74 WeakPolarHBondContact O-CG1 3.5Å; V70-I74 PolarHBondContact O-N 3.13Å; I74-K78 HydrophobicContact CG2-CD 4.02Å; I74-K78 HydrophobicContact CG2-CG 4.43Å; I74-K78 WeakPolarHBondContact O-CB 3.45Å; I74-K78 VanDerWaalsContact O-CG 3.28Å; I74-K78 WeakPolarHBondContact O-CG 3.47Å; I74-K78 PolarHBondContact O-N 3.48Å
75	D	92.8	Very high	92.2	Very high	46 Å²	46	57.3 Å²	57.3	25%	0.246	28%	0.28	C	S	.	.	H	α-helix	trans	-46.1	-62.8	169.3	82.9	-111.4	0	0	0	113.8	R61 Q71 K72 E73 K79	R61-D75 IonicContact CZ-OD1 2.95Å; R61-D75 IonicContact CZ-OD2 3.22Å; R61-D75 IonicContact NE-OD1 3.56Å; R61-D75 IonicContact NH1-OD1 3.57Å; R61-D75 PolarHBondContact NH1-OD1 3.18Å; R61-D75 IonicContact NH1-OD2 3.9Å; R61-D75 PolarHBondContact NH1-OD2 2.94Å; R61-D75 IonicContact NH2-OD1 3.92Å; R61-D75 PolarHBondContact NH2-OD1 3.22Å; R61-D75 IonicContact NH2-OD2 3.85Å; R61-D75 PolarHBondContact NH2-OD2 3.34Å; Q71-D75 PolarHBondContact NE2-OD1 2.92Å; Q71-D75 PolarHBondContact O-N 2.69Å; Q71-D75 VanDerWaalsContact O-N 3.1Å; K72-D75 WeakPolarHBondContact O-CA 3.35Å; K72-D75 PolarHBondContact O-N 3.3Å; E73-D75 PolarHBondContact O-N 3.11Å; D75-K79 PolarHBondContact O-N 2.87Å; D75-K79 VanDerWaalsContact O-N 3.16Å
76	I	94.7	Very high	92.5	Very high	28 Å²	28	55.5 Å²	55.5	14%	0.144	27%	0.272	C	S	.	.	H	α-helix	trans	-64.6	-46.7	-176.2	-68.2	163.8	0	0	0	110.2	K72 E73 K78 K79 L80 I108 L111	K72-I76 HydrophobicContact CG-CD1 3.91Å; K72-I76 WeakPolarHBondContact O-CG1 3.34Å; K72-I76 PolarHBondContact O-N 3.31Å; E73-I76 PolarHBondContact O-N 3.26Å; E73-I76 VanDerWaalsContact O-N 3.13Å; I76-K78 PolarHBondContact O-N 2.84Å; I76-K79 WeakPolarHBondContact O-CB 3.29Å; I76-K79 PolarHBondContact O-N 3.44Å; I76-K79 VanDerWaalsContact O-N 3.16Å; I76-L80 HydrophobicContact CG2-CD1 3.82Å; I76-L80 HydrophobicContact CG2-CG 4.31Å; I76-L80 WeakPolarHBondContact O-CB 3.45Å; I76-L80 PolarHBondContact O-N 3.49Å; I76-I108 HydrophobicContact CG2-CG1 4.44Å; I76-L111 HydrophobicContact CD1-CB 3.93Å; I76-L111 HydrophobicContact CG2-CB 3.94Å; I76-L111 HydrophobicContact CG2-CD1 3.78Å
77	R	96.6	Very high	92.7	Very high	73 Å²	73	52.1 Å²	52.1	28%	0.275	25%	0.253	S	S	.	.	H	α-helix	trans	-56.6	-50.3	178.4	-178	-178.1	-69.5	-96.4	-4	111	E73 K79 L80 L81 E105 I108	E73-R77 WeakPolarHBondContact O-CB 3.37Å; E73-R77 PolarHBondContact O-N 2.83Å; E73-R77 IonicContact OE1-CZ 2.94Å; E73-R77 IonicContact OE1-NE 3.02Å; E73-R77 PolarHBondContact OE1-NE 2.85Å; E73-R77 IonicContact OE1-NH2 2.65Å; E73-R77 PolarHBondContact OE1-NH2 3.44Å; R77-K79 VanDerWaalsContact C-N 3.3Å; R77-K79 PolarHBondContact O-N 3.27Å; R77-L80 PolarHBondContact O-N 2.9Å; R77-L81 HydrophobicContact CG-CD1 3.86Å; R77-L81 HydrophobicContact CG-CG 4.38Å; R77-L81 WeakPolarHBondContact O-CB 3.44Å; R77-L81 VanDerWaalsContact O-CG 3.28Å; R77-L81 WeakPolarHBondContact O-CG 3.12Å; R77-L81 PolarHBondContact O-N 3.44Å; R77-E105 IonicContact CZ-OE1 2.88Å; R77-E105 IonicContact CZ-OE2 3.49Å; R77-E105 IonicContact NH1-OE1 3.67Å; R77-E105 PolarHBondContact NH1-OE1 2.85Å; R77-E105 IonicContact NH1-OE2 2.78Å; R77-E105 IonicContact NH2-OE1 2.6Å; R77-E105 IonicContact NH2-OE2 3.52Å; R77-E105 PolarHBondContact NH2-OE2 3.33Å; R77-I108 HydrophobicContact CB-CD1 3.94Å; R77-I108 HydrophobicContact CB-CG1 4.46Å; R77-I108 HydrophobicContact CG-CD1 3.83Å
78	K	94.7	Very high	92.9	Very high	139 Å²	139	53.9 Å²	53.9	60%	0.604	26%	0.259	S	S	*	.	H	α-helix	trans	-58.6	-42.5	176.5	-77.1	175.9	179	175.9	0	112.2	I74 I76 S82	I74-K78 HydrophobicContact CG2-CD 4.02Å; I74-K78 HydrophobicContact CG2-CG 4.43Å; I74-K78 WeakPolarHBondContact O-CB 3.45Å; I74-K78 VanDerWaalsContact O-CG 3.28Å; I74-K78 WeakPolarHBondContact O-CG 3.47Å; I74-K78 PolarHBondContact O-N 3.48Å; I76-K78 PolarHBondContact O-N 2.84Å; K78-S82 PolarHBondContact O-N 3.33Å
79	K	93.9	Very high	93.1	Very high	143 Å²	143	60.1 Å²	60.1	62%	0.622	29%	0.291	S	S	*	.	H	α-helix	trans	-65.3	-48.8	178	-173.1	179.2	178.9	-177.4	0	111.2	D75 I76 R77 S82	D75-K79 PolarHBondContact O-N 2.87Å; D75-K79 VanDerWaalsContact O-N 3.16Å; I76-K79 WeakPolarHBondContact O-CB 3.29Å; I76-K79 PolarHBondContact O-N 3.44Å; I76-K79 VanDerWaalsContact O-N 3.16Å; R77-K79 VanDerWaalsContact C-N 3.3Å; R77-K79 PolarHBondContact O-N 3.27Å; K79-S82 WeakPolarHBondContact O-CB 3.32Å; K79-S82 PolarHBondContact O-N 3.43Å; K79-S82 PolarHBondContact O-OG 2.93Å
80	L	95.6	Very high	93.2	Very high	5 Å²	5	59 Å²	59	3%	0.026	29%	0.286	C	S	.	.	H	α-helix	trans	-63.7	-47.8	-179.6	-78	177.1	0	0	0	111.8	I76 R77 S82 D83 F84 L107 I108 L111 I124	I76-L80 HydrophobicContact CG2-CD1 3.82Å; I76-L80 HydrophobicContact CG2-CG 4.31Å; I76-L80 WeakPolarHBondContact O-CB 3.45Å; I76-L80 PolarHBondContact O-N 3.49Å; R77-L80 PolarHBondContact O-N 2.9Å; L80-S82 PolarHBondContact O-N 3.31Å; L80-S82 VanDerWaalsContact O-N 3.1Å; L80-D83 CarbonylContact O-C 3.58Å; L80-D83 WeakPolarHBondContact O-CA 3.31Å; L80-D83 PolarHBondContact O-N 3.4Å; L80-F84 HydrophobicContact CB-CD2 4.38Å; L80-F84 HydrophobicContact CD2-CD2 3.94Å; L80-F84 HydrophobicContact CD2-CE2 3.68Å; L80-F84 WeakPolarHBondContact O-CB 3.44Å; L80-F84 WeakPolarHBondContact O-CD2 3.14Å; L80-F84 PolarHBondContact O-N 3.41Å; L80-L107 HydrophobicContact CD1-CB 4.05Å; L80-I108 HydrophobicContact CD1-CB 4.43Å; L80-I108 HydrophobicContact CD1-CG1 3.52Å; L80-L111 HydrophobicContact CD1-CD1 4.24Å; L80-I124 HydrophobicContact CD2-CD1 3.66Å; L80-I124 HydrophobicContact CD2-CG1 3.85Å; L80-I124 HydrophobicContact CD2-CG2 4.24Å
81	L	94.7	Very high	93.3	Very high	86 Å²	86	58.6 Å²	58.6	45%	0.45	28%	0.28	S	S	.	.	H	α-helix	trans	-61.2	-23.4	178.1	-68	176.1	0	0	0	113.2	R77 D83 I104	R77-L81 HydrophobicContact CG-CD1 3.86Å; R77-L81 HydrophobicContact CG-CG 4.38Å; R77-L81 WeakPolarHBondContact O-CB 3.44Å; R77-L81 VanDerWaalsContact O-CG 3.28Å; R77-L81 WeakPolarHBondContact O-CG 3.12Å; R77-L81 PolarHBondContact O-N 3.44Å; L81-D83 VanDerWaalsContact C-N 3.3Å; L81-I104 HydrophobicContact CD2-CG2 4.28Å
82	S	92.3	Very high	93.5	Very high	49 Å²	49	65.9 Å²	65.9	34%	0.343	32%	0.32	S	S	.	.	H	α-helix	trans	-71.8	-23.5	173.6	84.1	0	0	0	0	113.8	K78 K79 L80 R139	K78-S82 PolarHBondContact O-N 3.33Å; K79-S82 WeakPolarHBondContact O-CB 3.32Å; K79-S82 PolarHBondContact O-N 3.43Å; K79-S82 PolarHBondContact O-OG 2.93Å; L80-S82 PolarHBondContact O-N 3.31Å; L80-S82 VanDerWaalsContact O-N 3.1Å; S82-R139 PolarHBondContact O-NE 3.16Å; S82-R139 PolarHBondContact O-NH2 3.13Å
83	D	93	Very high	93.6	Very high	13 Å²	13	67.4 Å²	67.4	7%	0.07	33%	0.331	C	S	.	.	H	α-helix	trans	-101.5	-37.9	178.2	-59.1	-56.8	0	0	0	111.4	L80 L81 N85 K128 I135 R139	L80-D83 CarbonylContact O-C 3.58Å; L80-D83 WeakPolarHBondContact O-CA 3.31Å; L80-D83 PolarHBondContact O-N 3.4Å; L81-D83 VanDerWaalsContact C-N 3.3Å; D83-N85 PolarHBondContact O-N 2.75Å; D83-K128 HydrophobicContact CB-CG 4.29Å; D83-K128 IonicContact OD1-NZ 2.75Å; D83-K128 PolarHBondContact OD1-NZ 3.18Å; D83-K128 WeakPolarHBondContact OD2-CE 3.48Å; D83-K128 IonicContact OD2-NZ 3.45Å; D83-K128 PolarHBondContact OD2-NZ 2.94Å; D83-I135 VanDerWaalsContact O-CD1 3.24Å; D83-I135 WeakPolarHBondContact O-CD1 3Å; D83-I135 WeakPolarHBondContact O-CG1 3.06Å; D83-R139 IonicContact OD1-NH2 3.4Å
84	F	94.6	Very high	93.6	Very high	7 Å²	7	68.4 Å²	68.4	3%	0.031	34%	0.338	C	S	.	.			trans	-93.3	69.4	177.4	-71.8	-96.4	0	0	0	109.7	L80 Y100 I104 L107 Y123 I124 Y127	L80-F84 HydrophobicContact CB-CD2 4.38Å; L80-F84 HydrophobicContact CD2-CD2 3.94Å; L80-F84 HydrophobicContact CD2-CE2 3.68Å; L80-F84 WeakPolarHBondContact O-CB 3.44Å; L80-F84 WeakPolarHBondContact O-CD2 3.14Å; L80-F84 PolarHBondContact O-N 3.41Å; F84-Y100 WeakPolarHBondContact CA-OH 3.33Å; F84-Y100 VanDerWaalsContact CB-OH 3.31Å; F84-Y100 WeakPolarHBondContact CB-OH 3.19Å; F84-Y100 AromaticContact CD1-CE2 3.86Å; F84-Y100 HydrophobicContact CD1-CE2 3.86Å; F84-Y100 PolarHBondContact O-OH 2.94Å; F84-I104 HydrophobicContact CB-CD1 3.7Å; F84-I104 HydrophobicContact CB-CG1 3.93Å; F84-I104 HydrophobicContact CD1-CD1 4.36Å; F84-I104 HydrophobicContact CD1-CG1 3.9Å; F84-I104 HydrophobicContact CG-CD1 4.32Å; F84-I104 HydrophobicContact CG-CG1 4.03Å; F84-L107 HydrophobicContact CE1-CD1 3.97Å; F84-L107 HydrophobicContact CE2-CD1 4.12Å; F84-L107 HydrophobicContact CZ-CD1 3.56Å; F84-Y123 HydrophobicContact CE1-CE1 4.37Å; F84-Y123 HydrophobicContact CZ-CE1 4.27Å; F84-I124 HydrophobicContact CE2-CG1 4.28Å; F84-I124 HydrophobicContact CE2-CG2 4.46Å; F84-I124 HydrophobicContact CZ-CG1 4.49Å; F84-Y127 HydrophobicContact CD1-CD1 4.02Å; F84-Y127 HydrophobicContact CD1-CD2 4.42Å; F84-Y127 AromaticContact CD1-CE1 3.62Å; F84-Y127 HydrophobicContact CD1-CE1 3.62Å; F84-Y127 HydrophobicContact CD1-CE2 4.04Å; F84-Y127 HydrophobicContact CD1-CG 4.41Å; F84-Y127 AromaticContact CD1-CZ 3.63Å; F84-Y127 HydrophobicContact CD2-CD1 4.41Å; F84-Y127 HydrophobicContact CD2-CE1 4.36Å; F84-Y127 AromaticContact CE1-CD1 3.6Å; F84-Y127 HydrophobicContact CE1-CD1 3.6Å; F84-Y127 AromaticContact CE1-CD2 3.72Å; F84-Y127 HydrophobicContact CE1-CD2 3.72Å; F84-Y127 AromaticContact CE1-CE1 3.68Å; F84-Y127 HydrophobicContact CE1-CE1 3.68Å; F84-Y127 AromaticContact CE1-CE2 3.78Å; F84-Y127 HydrophobicContact CE1-CE2 3.78Å; F84-Y127 AromaticContact CE1-CG 3.63Å; F84-Y127 HydrophobicContact CE1-CG 3.63Å; F84-Y127 AromaticContact CE1-CZ 3.77Å; F84-Y127 HydrophobicContact CE2-CD1 4.03Å; F84-Y127 HydrophobicContact CE2-CE1 4.41Å; F84-Y127 HydrophobicContact CG-CD1 4.4Å; F84-Y127 AromaticContact CG-CE1 3.97Å; F84-Y127 HydrophobicContact CG-CE1 3.97Å; F84-Y127 AromaticContact CZ-CD1 3.61Å; F84-Y127 HydrophobicContact CZ-CD1 3.61Å; F84-Y127 HydrophobicContact CZ-CD2 4.24Å; F84-Y127 HydrophobicContact CZ-CE1 4.09Å; F84-Y127 AromaticContact CZ-CG 3.7Å; F84-Y127 HydrophobicContact CZ-CG 3.7Å
85	N	93.2	Very high	93.7	Very high	27 Å²	27	72.9 Å²	72.9	14%	0.144	36%	0.358	C	S	.	.			trans	-109.8	28.7	-171.6	68.8	-12.8	0	0	0	113.7	D83 I135 N138	D83-N85 PolarHBondContact O-N 2.75Å; N85-I135 PolarHBondContact ND2-O 3.38Å; N85-I135 WeakPolarHBondContact OD1-CA 3.31Å; N85-N138 HydrophobicContact CB-CB 4.41Å; N85-N138 VanDerWaalsContact ND2-CB 3.32Å; N85-N138 WeakPolarHBondContact ND2-CB 3.32Å; N85-N138 WeakPolarHBondContact O-CB 3.44Å; N85-N138 PolarHBondContact O-ND2 3.23Å
86	K	92.9	Very high	93.9	Very high	51 Å²	51	75.2 Å²	75.2	22%	0.222	37%	0.368	C	S	.	.			trans	-73	142	170	-63.9	-177.5	179.9	-178.4	0	109.6	D90 F91 Y100 Y127 N131 I134	K86-D90 WeakPolarHBondContact CA-OD2 3.24Å; K86-D90 HydrophobicContact CB-CB 4.41Å; K86-F91 HydrophobicContact CB-CE2 3.74Å; K86-F91 HydrophobicContact CB-CZ 3.93Å; K86-F91 HydrophobicContact CD-CE2 4.46Å; K86-F91 HydrophobicContact CD-CZ 3.93Å; K86-Y100 HydrophobicContact CB-CE1 3.86Å; K86-Y100 HydrophobicContact CD-CE2 4.24Å; K86-Y100 PolarHBondContact N-OH 2.75Å; K86-Y127 WeakPolarHBondContact CE-OH 3.29Å; K86-N131 VanDerWaalsContact CE-OD1 3.3Å; K86-N131 WeakPolarHBondContact CE-OD1 3.21Å; K86-N131 PolarHBondContact NZ-OD1 3.08Å; K86-N131 VanDerWaalsContact NZ-OD1 3.13Å; K86-I134 HydrophobicContact CG-CG2 4.39Å
87	R	91	Very high	93.9	Very high	79 Å²	79	76.3 Å²	76.3	30%	0.298	37%	0.371	S	S	.	.			trans	-103.4	165.9	177.6	-64.9	177.2	179.3	-98.1	-6.8	109.8	D89 D90 F91 S143	R87-D89 PolarHBondContact O-N 2.89Å; R87-D90 PolarHBondContact N-OD2 3.47Å; R87-D90 WeakPolarHBondContact O-CB 3.22Å; R87-D90 PolarHBondContact O-N 2.96Å; R87-F91 WeakPolarHBondContact O-CD2 3.37Å; R87-F91 WeakPolarHBondContact O-CE2 3.42Å; R87-S143 PolarHBondContact NH1-OG 3.21Å; R87-S143 VanDerWaalsContact NH2-CA 3.27Å; R87-S143 VanDerWaalsContact NH2-CB 3.29Å; R87-S143 PolarHBondContact NH2-OG 2.96Å
88	E	92.7	Very high	93.9	Very high	103 Å²	103	76.8 Å²	76.8	48%	0.481	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-50.5	-41.9	173	-169.4	177.4	173.4	0	0	111.8	D90 F91 Y97	E88-D90 PolarHBondContact O-N 2.88Å; E88-F91 PolarHBondContact O-N 3.16Å; E88-Y97 HydrophobicContact CB-CD1 3.9Å; E88-Y97 HydrophobicContact CB-CD2 4.42Å; E88-Y97 HydrophobicContact CB-CE1 3.93Å; E88-Y97 HydrophobicContact CB-CE2 4.47Å; E88-Y97 HydrophobicContact CB-CG 4.14Å; E88-Y97 HydrophobicContact CG-CD1 3.86Å; E88-Y97 HydrophobicContact CG-CE1 4.29Å; E88-Y97 HydrophobicContact CG-CG 4.22Å
89	D	90.7	Very high	94	Very high	147 Å²	147	75.4 Å²	75.4	79%	0.786	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-59.4	-16.5	175.9	-50.4	-37.5	0	0	0	115.2	R87 F91	R87-D89 PolarHBondContact O-N 2.89Å; D89-F91 VanDerWaalsContact C-N 3.32Å
90	D	91	Very high	94.1	Very high	65 Å²	65	69.8 Å²	69.8	35%	0.348	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-89.1	2.9	178.9	-61	-50.2	0	0	0	112.1	K86 R87 E88 N138 K141	K86-D90 WeakPolarHBondContact CA-OD2 3.24Å; K86-D90 HydrophobicContact CB-CB 4.41Å; R87-D90 PolarHBondContact N-OD2 3.47Å; R87-D90 WeakPolarHBondContact O-CB 3.22Å; R87-D90 PolarHBondContact O-N 2.96Å; E88-D90 PolarHBondContact O-N 2.88Å; D90-N138 PolarHBondContact OD2-ND2 3.13Å; D90-K141 IonicContact OD1-NZ 3.27Å; D90-K141 PolarHBondContact OD1-NZ 3.23Å
91	F	93.9	Very high	94.1	Very high	43 Å²	43	72.5 Å²	72.5	19%	0.189	37%	0.366	C	S	.	.	S	Bend	trans	-120.6	153.9	-179.6	-61.1	-92	0	0	0	111.8	K86 R87 E88 D89 E96 Y97 Y100	K86-F91 HydrophobicContact CB-CE2 3.74Å; K86-F91 HydrophobicContact CB-CZ 3.93Å; K86-F91 HydrophobicContact CD-CE2 4.46Å; K86-F91 HydrophobicContact CD-CZ 3.93Å; R87-F91 WeakPolarHBondContact O-CD2 3.37Å; R87-F91 WeakPolarHBondContact O-CE2 3.42Å; E88-F91 PolarHBondContact O-N 3.16Å; D89-F91 VanDerWaalsContact C-N 3.32Å; F91-E96 HydrophobicContact CB-CB 4.47Å; F91-E96 HydrophobicContact CD1-CB 3.99Å; F91-Y97 AromaticContact CD2-CD2 3.69Å; F91-Y97 HydrophobicContact CD2-CD2 3.69Å; F91-Y97 HydrophobicContact CD2-CG 4.24Å; F91-Y97 AromaticContact CE2-CD2 3.57Å; F91-Y97 HydrophobicContact CE2-CD2 3.57Å; F91-Y97 HydrophobicContact CE2-CE2 4.33Å; F91-Y97 HydrophobicContact CE2-CG 4.49Å; F91-Y97 HydrophobicContact CZ-CD2 4.4Å; F91-Y100 HydrophobicContact CE1-CG 4.18Å; F91-Y100 HydrophobicContact CE2-CD1 4.11Å; F91-Y100 HydrophobicContact CE2-CG 4.37Å; F91-Y100 AromaticContact CZ-CD1 3.69Å; F91-Y100 HydrophobicContact CZ-CD1 3.69Å; F91-Y100 AromaticContact CZ-CD2 4Å; F91-Y100 HydrophobicContact CZ-CD2 4Å; F91-Y100 HydrophobicContact CZ-CE1 4.25Å; F91-Y100 AromaticContact CZ-CG 3.52Å; F91-Y100 HydrophobicContact CZ-CG 3.52Å
92	D	93.8	Very high	94.3	Very high	163 Å²	163	74 Å²	74	87%	0.872	37%	0.371	S	S	*	.	S	Bend	trans	-79.3	-27.6	-179	-67.9	-39.4	0	0	0	112.4
93	C	94.6	Very high	94.4	Very high	46 Å²	46	76.1 Å²	76.1	31%	0.311	37%	0.374	S	S	.	.	S	Bend	trans	-142.5	158.3	-179.6	64.3	0	0	0	0	112.4	E95 E96 Y97	C93-E95 VanDerWaalsContact C-N 3.3Å; C93-E95 WeakPolarHBondContact CB-OE2 3.34Å; C93-E95 PolarHBondContact O-N 3.32Å; C93-E96 PolarHBondContact O-N 3.3Å; C93-E96 WeakPolarHBondContact SG-CG 3.36Å; C93-Y97 PolarHBondContact O-N 3.4Å
94	L	95	Very high	94.6	Very high	84 Å²	84	75.7 Å²	75.7	44%	0.44	37%	0.372	S	S	.	.	H	α-helix	trans	-66.9	-32.8	-179	179.1	60	0	0	0	111.8	E96 Y97 N98	L94-E96 PolarHBondContact O-N 2.7Å; L94-Y97 HydrophobicContact CD1-CD1 4.27Å; L94-Y97 PolarHBondContact O-N 2.88Å; L94-N98 PolarHBondContact O-N 3.12Å; L94-N98 PolarHBondContact O-ND2 2.94Å
95	E	96	Very high	94.7	Very high	134 Å²	134	79.2 Å²	79.2	63%	0.626	39%	0.388	S	S	*	.	H	α-helix	trans	-61.8	-42.4	178.7	-65.5	76.6	-169.1	0	0	112	C93 N98 L99	C93-E95 VanDerWaalsContact C-N 3.3Å; C93-E95 WeakPolarHBondContact CB-OE2 3.34Å; C93-E95 PolarHBondContact O-N 3.32Å; E95-N98 PolarHBondContact O-N 3.36Å; E95-L99 PolarHBondContact O-N 3.48Å
96	E	95.9	Very high	94.9	Very high	95 Å²	95	81.9 Å²	81.9	44%	0.444	40%	0.403	S	S	.	.	H	α-helix	trans	-66.4	-38.8	176.5	-78.7	175.5	-171	0	0	112.1	F91 C93 L94 L99 Y100	F91-E96 HydrophobicContact CB-CB 4.47Å; F91-E96 HydrophobicContact CD1-CB 3.99Å; C93-E96 PolarHBondContact O-N 3.3Å; C93-E96 WeakPolarHBondContact SG-CG 3.36Å; L94-E96 PolarHBondContact O-N 2.7Å; E96-L99 PolarHBondContact O-N 3.13Å; E96-Y100 WeakPolarHBondContact O-CB 3.21Å; E96-Y100 PolarHBondContact O-N 3.11Å
97	Y	96.4	Very high	95.1	Very high	51 Å²	51	80 Å²	80	20%	0.2	40%	0.395	C	S	.	.	H	α-helix	trans	-63.9	-43.4	174.5	178.6	-121.4	0	0	0	111.5	E88 F91 C93 L94 L99 Y100 L101	E88-Y97 HydrophobicContact CB-CD1 3.9Å; E88-Y97 HydrophobicContact CB-CD2 4.42Å; E88-Y97 HydrophobicContact CB-CE1 3.93Å; E88-Y97 HydrophobicContact CB-CE2 4.47Å; E88-Y97 HydrophobicContact CB-CG 4.14Å; E88-Y97 HydrophobicContact CG-CD1 3.86Å; E88-Y97 HydrophobicContact CG-CE1 4.29Å; E88-Y97 HydrophobicContact CG-CG 4.22Å; F91-Y97 AromaticContact CD2-CD2 3.69Å; F91-Y97 HydrophobicContact CD2-CD2 3.69Å; F91-Y97 HydrophobicContact CD2-CG 4.24Å; F91-Y97 AromaticContact CE2-CD2 3.57Å; F91-Y97 HydrophobicContact CE2-CD2 3.57Å; F91-Y97 HydrophobicContact CE2-CE2 4.33Å; F91-Y97 HydrophobicContact CE2-CG 4.49Å; F91-Y97 HydrophobicContact CZ-CD2 4.4Å; C93-Y97 PolarHBondContact O-N 3.4Å; L94-Y97 HydrophobicContact CD1-CD1 4.27Å; L94-Y97 PolarHBondContact O-N 2.88Å; Y97-L99 PolarHBondContact O-N 3.36Å; Y97-Y100 HydrophobicContact CD2-CD1 4.36Å; Y97-Y100 HydrophobicContact CE2-CD1 4.41Å; Y97-Y100 WeakPolarHBondContact O-CB 3.09Å; Y97-Y100 PolarHBondContact O-N 3.32Å; Y97-L101 HydrophobicContact CD1-CD1 4.23Å; Y97-L101 HydrophobicContact CD2-CG 4.49Å; Y97-L101 HydrophobicContact CE1-CD1 3.68Å; Y97-L101 HydrophobicContact CE1-CG 4.29Å; Y97-L101 HydrophobicContact CE2-CD1 4.35Å; Y97-L101 HydrophobicContact CE2-CD2 4.01Å; Y97-L101 HydrophobicContact CE2-CG 4.1Å; Y97-L101 WeakPolarHBondContact O-CG 3.33Å; Y97-L101 PolarHBondContact O-N 2.62Å
98	N	96.5	Very high	95.3	Very high	82 Å²	82	76.3 Å²	76.3	44%	0.439	38%	0.381	S	S	.	.	H	α-helix	trans	-62.8	-43.1	176.4	-72.7	-32.4	0	0	0	112.1	L94 E95 Y100 L101 E102	L94-N98 PolarHBondContact O-N 3.12Å; L94-N98 PolarHBondContact O-ND2 2.94Å; E95-N98 PolarHBondContact O-N 3.36Å; N98-Y100 VanDerWaalsContact C-N 3.27Å; N98-Y100 PolarHBondContact O-N 3.3Å; N98-L101 PolarHBondContact O-N 2.84Å; N98-L101 VanDerWaalsContact O-N 3.17Å; N98-E102 PolarHBondContact O-N 3.31Å
99	L	96.4	Very high	95.5	Very high	111 Å²	111	78 Å²	78	58%	0.581	38%	0.384	S	S	*	.	H	α-helix	trans	-62.5	-36.1	175	-174.8	66.7	0	0	0	111.8	E95 E96 Y97 K103	E95-L99 PolarHBondContact O-N 3.48Å; E96-L99 PolarHBondContact O-N 3.13Å; Y97-L99 PolarHBondContact O-N 3.36Å; L99-K103 WeakPolarHBondContact O-CB 3.31Å; L99-K103 PolarHBondContact O-N 3.07Å
100	Y	95.9	Very high	95.8	Very high	24 Å²	24	73 Å²	73	9%	0.094	36%	0.357	C	S	.	.	H	α-helix	trans	-64.3	-41.8	173.6	173.1	-105.6	0	0	0	112.3	F84 K86 F91 E96 Y97 N98 K103 I104 Y127	F84-Y100 WeakPolarHBondContact CA-OH 3.33Å; F84-Y100 VanDerWaalsContact CB-OH 3.31Å; F84-Y100 WeakPolarHBondContact CB-OH 3.19Å; F84-Y100 AromaticContact CD1-CE2 3.86Å; F84-Y100 HydrophobicContact CD1-CE2 3.86Å; F84-Y100 PolarHBondContact O-OH 2.94Å; K86-Y100 HydrophobicContact CB-CE1 3.86Å; K86-Y100 HydrophobicContact CD-CE2 4.24Å; K86-Y100 PolarHBondContact N-OH 2.75Å; F91-Y100 HydrophobicContact CE1-CG 4.18Å; F91-Y100 HydrophobicContact CE2-CD1 4.11Å; F91-Y100 HydrophobicContact CE2-CG 4.37Å; F91-Y100 AromaticContact CZ-CD1 3.69Å; F91-Y100 HydrophobicContact CZ-CD1 3.69Å; F91-Y100 AromaticContact CZ-CD2 4Å; F91-Y100 HydrophobicContact CZ-CD2 4Å; F91-Y100 HydrophobicContact CZ-CE1 4.25Å; F91-Y100 AromaticContact CZ-CG 3.52Å; F91-Y100 HydrophobicContact CZ-CG 3.52Å; E96-Y100 WeakPolarHBondContact O-CB 3.21Å; E96-Y100 PolarHBondContact O-N 3.11Å; Y97-Y100 HydrophobicContact CD2-CD1 4.36Å; Y97-Y100 HydrophobicContact CE2-CD1 4.41Å; Y97-Y100 WeakPolarHBondContact O-CB 3.09Å; Y97-Y100 PolarHBondContact O-N 3.32Å; N98-Y100 VanDerWaalsContact C-N 3.27Å; N98-Y100 PolarHBondContact O-N 3.3Å; Y100-K103 WeakPolarHBondContact O-CB 3.25Å; Y100-K103 PolarHBondContact O-N 3.22Å; Y100-I104 HydrophobicContact CD1-CD1 4Å; Y100-I104 HydrophobicContact CE1-CD1 3.56Å; Y100-I104 HydrophobicContact CE2-CD1 4.4Å; Y100-I104 WeakPolarHBondContact O-CG1 3.47Å; Y100-I104 PolarHBondContact O-N 3.48Å; Y100-I104 VanDerWaalsContact O-N 3.16Å; Y100-Y127 HydrophobicContact CE2-CE2 4.33Å; Y100-Y127 PolarHBondContact OH-OH 3.07Å
101	L	96.5	Very high	96	Very high	62 Å²	62	71.1 Å²	71.1	33%	0.325	35%	0.347	S	S	.	.	H	α-helix	trans	-65.6	-44.6	175.2	-66.3	-178.9	0	0	0	111.8	Y97 N98 K103 I104 E105	Y97-L101 HydrophobicContact CD1-CD1 4.23Å; Y97-L101 HydrophobicContact CD2-CG 4.49Å; Y97-L101 HydrophobicContact CE1-CD1 3.68Å; Y97-L101 HydrophobicContact CE1-CG 4.29Å; Y97-L101 HydrophobicContact CE2-CD1 4.35Å; Y97-L101 HydrophobicContact CE2-CD2 4.01Å; Y97-L101 HydrophobicContact CE2-CG 4.1Å; Y97-L101 WeakPolarHBondContact O-CG 3.33Å; Y97-L101 PolarHBondContact O-N 2.62Å; N98-L101 PolarHBondContact O-N 2.84Å; N98-L101 VanDerWaalsContact O-N 3.17Å; L101-K103 VanDerWaalsContact C-N 3.3Å; L101-K103 PolarHBondContact O-N 2.84Å; L101-I104 HydrophobicContact CD2-CD1 4.42Å; L101-I104 WeakPolarHBondContact O-CB 3.26Å; L101-I104 PolarHBondContact O-N 3.28Å; L101-E105 PolarHBondContact O-N 3.01Å; L101-E105 VanDerWaalsContact O-N 3.07Å
102	E	97	Very high	96	Very high	117 Å²	117	69.6 Å²	69.6	55%	0.547	34%	0.342	S	S	.	.	H	α-helix	trans	-57.5	-44.7	175.2	-174	175.7	-159.2	0	0	111.1	N98 I104 E105 D106	N98-E102 PolarHBondContact O-N 3.31Å; E102-I104 VanDerWaalsContact C-N 3.27Å; E102-I104 PolarHBondContact O-N 3.42Å; E102-E105 PolarHBondContact O-N 3.32Å; E102-E105 VanDerWaalsContact O-N 3.1Å; E102-D106 PolarHBondContact O-N 3.36Å
103	K	95.6	Very high	95.9	Very high	94 Å²	94	65.2 Å²	65.2	41%	0.409	32%	0.318	S	S	.	.	H	α-helix	trans	-56	-40.2	173.9	-164.7	80.4	175.3	-176.8	0	112.3	L99 Y100 L101 L107	L99-K103 WeakPolarHBondContact O-CB 3.31Å; L99-K103 PolarHBondContact O-N 3.07Å; Y100-K103 WeakPolarHBondContact O-CB 3.25Å; Y100-K103 PolarHBondContact O-N 3.22Å; L101-K103 VanDerWaalsContact C-N 3.3Å; L101-K103 PolarHBondContact O-N 2.84Å; K103-L107 WeakPolarHBondContact O-CG 3.36Å; K103-L107 PolarHBondContact O-N 2.86Å; K103-L107 VanDerWaalsContact O-N 3.15Å
104	I	97	Very high	95.7	Very high	4 Å²	4	67.8 Å²	67.8	2%	0.021	33%	0.329	C	S	.	.	H	α-helix	trans	-66.1	-44	178.1	-67.5	164.9	0	0	0	110.3	L81 F84 Y100 L101 E102 D106 L107 I108	L81-I104 HydrophobicContact CD2-CG2 4.28Å; F84-I104 HydrophobicContact CB-CD1 3.7Å; F84-I104 HydrophobicContact CB-CG1 3.93Å; F84-I104 HydrophobicContact CD1-CD1 4.36Å; F84-I104 HydrophobicContact CD1-CG1 3.9Å; F84-I104 HydrophobicContact CG-CD1 4.32Å; F84-I104 HydrophobicContact CG-CG1 4.03Å; Y100-I104 HydrophobicContact CD1-CD1 4Å; Y100-I104 HydrophobicContact CE1-CD1 3.56Å; Y100-I104 HydrophobicContact CE2-CD1 4.4Å; Y100-I104 WeakPolarHBondContact O-CG1 3.47Å; Y100-I104 PolarHBondContact O-N 3.48Å; Y100-I104 VanDerWaalsContact O-N 3.16Å; L101-I104 HydrophobicContact CD2-CD1 4.42Å; L101-I104 WeakPolarHBondContact O-CB 3.26Å; L101-I104 PolarHBondContact O-N 3.28Å; E102-I104 VanDerWaalsContact C-N 3.27Å; E102-I104 PolarHBondContact O-N 3.42Å; I104-D106 VanDerWaalsContact C-N 3.35Å; I104-L107 PolarHBondContact O-N 2.89Å; I104-I108 HydrophobicContact CG2-CD1 3.81Å; I104-I108 HydrophobicContact CG2-CG1 4.39Å; I104-I108 WeakPolarHBondContact O-CG1 3.39Å; I104-I108 PolarHBondContact O-N 3.2Å
105	E	97.4	Very high	95.6	Very high	82 Å²	82	67.2 Å²	67.2	38%	0.383	33%	0.325	S	S	.	.	H	α-helix	trans	-63	-40.2	177.4	-66.1	-61.8	150.3	0	0	111.6	R77 L101 E102 L107 I108 Y109	R77-E105 IonicContact CZ-OE1 2.88Å; R77-E105 IonicContact CZ-OE2 3.49Å; R77-E105 IonicContact NH1-OE1 3.67Å; R77-E105 PolarHBondContact NH1-OE1 2.85Å; R77-E105 IonicContact NH1-OE2 2.78Å; R77-E105 IonicContact NH2-OE1 2.6Å; R77-E105 IonicContact NH2-OE2 3.52Å; R77-E105 PolarHBondContact NH2-OE2 3.33Å; L101-E105 PolarHBondContact O-N 3.01Å; L101-E105 VanDerWaalsContact O-N 3.07Å; E102-E105 PolarHBondContact O-N 3.32Å; E102-E105 VanDerWaalsContact O-N 3.1Å; E105-L107 VanDerWaalsContact C-N 3.33Å; E105-L107 PolarHBondContact O-N 3.04Å; E105-I108 PolarHBondContact O-N 3.23Å; E105-Y109 VanDerWaalsContact O-CB 3.31Å; E105-Y109 WeakPolarHBondContact O-CB 3.36Å; E105-Y109 PolarHBondContact O-N 2.88Å
106	D	96.8	Very high	95.5	Very high	83 Å²	83	63.8 Å²	63.8	44%	0.444	32%	0.316	S	S	.	.	H	α-helix	trans	-57.8	-44.6	172.9	-75.2	-19.7	0	0	0	112.1	E102 I104 Y109 N110	E102-D106 PolarHBondContact O-N 3.36Å; I104-D106 VanDerWaalsContact C-N 3.35Å; D106-Y109 PolarHBondContact O-N 3.24Å; D106-N110 WeakPolarHBondContact O-CB 3.01Å; D106-N110 VanDerWaalsContact O-CG 3.23Å; D106-N110 PolarHBondContact O-N 2.86Å; D106-N110 PolarHBondContact O-ND2 3.28Å
107	L	96.6	Very high	95.3	Very high	10 Å²	10	60.1 Å²	60.1	5%	0.052	30%	0.3	C	S	.	.	H	α-helix	trans	-65.6	-40.7	178	-63.6	170	0	0	0	111.4	L80 F84 K103 I104 E105 L111 T120 Y123 I124	L80-L107 HydrophobicContact CD1-CB 4.05Å; F84-L107 HydrophobicContact CE1-CD1 3.97Å; F84-L107 HydrophobicContact CE2-CD1 4.12Å; F84-L107 HydrophobicContact CZ-CD1 3.56Å; K103-L107 WeakPolarHBondContact O-CG 3.36Å; K103-L107 PolarHBondContact O-N 2.86Å; K103-L107 VanDerWaalsContact O-N 3.15Å; I104-L107 PolarHBondContact O-N 2.89Å; E105-L107 VanDerWaalsContact C-N 3.33Å; E105-L107 PolarHBondContact O-N 3.04Å; L107-L111 WeakPolarHBondContact O-CB 3.4Å; L107-L111 WeakPolarHBondContact O-CG 3.45Å; L107-L111 PolarHBondContact O-N 3.27Å; L107-L111 VanDerWaalsContact O-N 3.12Å; L107-T120 HydrophobicContact CB-CG2 4.33Å; L107-T120 HydrophobicContact CD2-CG2 3.7Å; L107-Y123 HydrophobicContact CD1-CD1 3.94Å; L107-Y123 HydrophobicContact CD1-CE1 3.9Å; L107-Y123 HydrophobicContact CD2-CD1 3.72Å; L107-Y123 HydrophobicContact CD2-CE1 4.28Å; L107-Y123 HydrophobicContact CD2-CG 4.46Å; L107-Y123 HydrophobicContact CG-CD1 4.48Å; L107-I124 HydrophobicContact CD1-CG1 4.42Å
108	I	96.6	Very high	95.2	Very high	3 Å²	3	64.5 Å²	64.5	2%	0.015	32%	0.322	C	S	.	.	H	α-helix	trans	-62.3	-47.7	175.7	-68.7	164.9	0	0	0	109.8	E73 I76 R77 L80 I104 E105 L111 T112	E73-I108 HydrophobicContact CG-CG2 3.68Å; I76-I108 HydrophobicContact CG2-CG1 4.44Å; R77-I108 HydrophobicContact CB-CD1 3.94Å; R77-I108 HydrophobicContact CB-CG1 4.46Å; R77-I108 HydrophobicContact CG-CD1 3.83Å; L80-I108 HydrophobicContact CD1-CB 4.43Å; L80-I108 HydrophobicContact CD1-CG1 3.52Å; I104-I108 HydrophobicContact CG2-CD1 3.81Å; I104-I108 HydrophobicContact CG2-CG1 4.39Å; I104-I108 WeakPolarHBondContact O-CG1 3.39Å; I104-I108 PolarHBondContact O-N 3.2Å; E105-I108 PolarHBondContact O-N 3.23Å; I108-L111 PolarHBondContact O-N 3.47Å; I108-T112 VanDerWaalsContact O-CB 3.29Å; I108-T112 WeakPolarHBondContact O-CB 3.25Å; I108-T112 PolarHBondContact O-N 2.97Å; I108-T112 PolarHBondContact O-OG1 2.86Å
109	Y	96.4	Very high	95.1	Very high	137 Å²	137	67.2 Å²	67.2	54%	0.537	33%	0.332	S	S	.	.	H	α-helix	trans	-60.7	-48	-179.2	-177.8	-93.9	0	0	0	111.4	E105 D106 L111 T112 N113 I115	E105-Y109 VanDerWaalsContact O-CB 3.31Å; E105-Y109 WeakPolarHBondContact O-CB 3.36Å; E105-Y109 PolarHBondContact O-N 2.88Å; D106-Y109 PolarHBondContact O-N 3.24Å; Y109-L111 PolarHBondContact O-N 2.95Å; Y109-T112 PolarHBondContact O-N 3.37Å; Y109-N113 WeakPolarHBondContact CD2-ND2 3.35Å; Y109-N113 WeakPolarHBondContact CE2-ND2 3.35Å; Y109-N113 VanDerWaalsContact CZ-ND2 3.26Å; Y109-N113 WeakPolarHBondContact O-CB 3.37Å; Y109-N113 PolarHBondContact O-N 3.04Å; Y109-N113 PolarHBondContact O-ND2 3.34Å; Y109-I115 HydrophobicContact CD1-CD1 4.39Å; Y109-I115 HydrophobicContact CE1-CD1 3.76Å
110	N	96.1	Very high	95.1	Very high	43 Å²	43	62.2 Å²	62.2	23%	0.23	31%	0.307	C	S	.	.	H	α-helix	trans	-59.5	-45.9	178	-75.6	-14.1	0	0	0	112.2	D106 D114 I115 T120	D106-N110 WeakPolarHBondContact O-CB 3.01Å; D106-N110 VanDerWaalsContact O-CG 3.23Å; D106-N110 PolarHBondContact O-N 2.86Å; D106-N110 PolarHBondContact O-ND2 3.28Å; N110-D114 PolarHBondContact O-N 3.37Å; N110-D114 VanDerWaalsContact O-N 3.08Å; N110-I115 WeakPolarHBondContact CB-O 3.37Å; N110-I115 PolarHBondContact O-N 2.75Å; N110-T120 HydrophobicContact CB-CG2 4.21Å
111	L	94.7	Very high	95.1	Very high	25 Å²	25	66.9 Å²	66.9	13%	0.131	33%	0.328	C	S	.	.	H	α-helix	trans	-71	-31.3	178.7	-70.3	-179.8	0	0	0	113.5	I76 L80 L107 I108 Y109 V117 T120 K121 I124	I76-L111 HydrophobicContact CD1-CB 3.93Å; I76-L111 HydrophobicContact CG2-CB 3.94Å; I76-L111 HydrophobicContact CG2-CD1 3.78Å; L80-L111 HydrophobicContact CD1-CD1 4.24Å; L107-L111 WeakPolarHBondContact O-CB 3.4Å; L107-L111 WeakPolarHBondContact O-CG 3.45Å; L107-L111 PolarHBondContact O-N 3.27Å; L107-L111 VanDerWaalsContact O-N 3.12Å; I108-L111 PolarHBondContact O-N 3.47Å; Y109-L111 PolarHBondContact O-N 2.95Å; L111-V117 HydrophobicContact CD2-CG1 4.25Å; L111-T120 HydrophobicContact CD1-CG2 4.35Å; L111-T120 HydrophobicContact CD2-CG2 3.82Å; L111-T120 HydrophobicContact CG-CG2 3.72Å; L111-K121 HydrophobicContact CD2-CG 4.28Å; L111-I124 HydrophobicContact CD1-CD1 3.71Å
112	T	94.1	Very high	95.1	Very high	12 Å²	12	72.6 Å²	72.6	7%	0.074	35%	0.345	C	S	.	.	H	α-helix	trans	-73.6	-41.5	-179.5	-58	0	0	0	0	110.6	K72 E73 I108 Y109	K72-T112 WeakPolarHBondContact CE-O 3.5Å; K72-T112 PolarHBondContact NZ-O 3.4Å; E73-T112 HydrophobicContact CB-CG2 4.03Å; E73-T112 HydrophobicContact CG-CG2 4.43Å; I108-T112 VanDerWaalsContact O-CB 3.29Å; I108-T112 WeakPolarHBondContact O-CB 3.25Å; I108-T112 PolarHBondContact O-N 2.97Å; I108-T112 PolarHBondContact O-OG1 2.86Å; Y109-T112 PolarHBondContact O-N 3.37Å
113	N	92.9	Very high	95.1	Very high	70 Å²	70	71.4 Å²	71.4	37%	0.374	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	6.7	-178.5	-63.6	-48.6	0	0	0	114.3	Y109 I115	Y109-N113 WeakPolarHBondContact CD2-ND2 3.35Å; Y109-N113 WeakPolarHBondContact CE2-ND2 3.35Å; Y109-N113 VanDerWaalsContact CZ-ND2 3.26Å; Y109-N113 WeakPolarHBondContact O-CB 3.37Å; Y109-N113 PolarHBondContact O-N 3.04Å; Y109-N113 PolarHBondContact O-ND2 3.34Å; N113-I115 HydrophobicContact CB-CD1 3.84Å; N113-I115 HydrophobicContact CB-CG1 3.94Å; N113-I115 PolarHBondContact O-N 2.93Å
114	D	90.8	Very high	95.1	Very high	101 Å²	101	67.7 Å²	67.7	54%	0.54	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	56	36	-179.4	-55.8	-49.7	0	0	0	113.4	K72 N110 V117	K72-D114 IonicContact NZ-OD1 2.8Å; K72-D114 PolarHBondContact NZ-OD1 3.23Å; K72-D114 IonicContact NZ-OD2 3.6Å; K72-D114 PolarHBondContact NZ-OD2 3.14Å; N110-D114 PolarHBondContact O-N 3.37Å; N110-D114 VanDerWaalsContact O-N 3.08Å; D114-V117 VanDerWaalsContact C-CG2 3.48Å; D114-V117 VanDerWaalsContact CA-CG2 3.48Å; D114-V117 HydrophobicContact CB-CG2 4.08Å
115	I	92.7	Very high	95.1	Very high	72 Å²	72	73.3 Å²	73.3	37%	0.369	35%	0.347	S	S	.	.	S	Bend	trans	-94.3	127.2	176.7	-56.4	171	0	0	0	109	Y109 N110 N113 V117	Y109-I115 HydrophobicContact CD1-CD1 4.39Å; Y109-I115 HydrophobicContact CE1-CD1 3.76Å; N110-I115 WeakPolarHBondContact CB-O 3.37Å; N110-I115 PolarHBondContact O-N 2.75Å; N113-I115 HydrophobicContact CB-CD1 3.84Å; N113-I115 HydrophobicContact CB-CG1 3.94Å; N113-I115 PolarHBondContact O-N 2.93Å; I115-V117 PolarHBondContact O-N 3.45Å; I115-V117 VanDerWaalsContact O-N 3.1Å
116	S	92.2	Very high	95.1	Very high	61 Å²	61	72.9 Å²	72.9	43%	0.427	35%	0.347	S	S	.	.	S	Bend	trans	44.4	47.1	176.9	-62.7	0	0	0	0	113.5	E118 E119 T120	S116-E118 VanDerWaalsContact C-N 3.32Å; S116-E118 PolarHBondContact O-N 3.24Å; S116-E119 PolarHBondContact O-N 3.46Å; S116-T120 WeakPolarHBondContact O-CB 3.37Å; S116-T120 PolarHBondContact O-N 3.05Å; S116-T120 PolarHBondContact O-OG1 2.9Å
117	V	92.5	Very high	95	Very high	19 Å²	19	69.7 Å²	69.7	12%	0.115	33%	0.329	C	S	.	.	H	α-helix	trans	-61.6	-39.9	-170.5	177.6	0	0	0	0	111.7	L111 D114 I115 K121	L111-V117 HydrophobicContact CD2-CG1 4.25Å; D114-V117 VanDerWaalsContact C-CG2 3.48Å; D114-V117 VanDerWaalsContact CA-CG2 3.48Å; D114-V117 HydrophobicContact CB-CG2 4.08Å; I115-V117 PolarHBondContact O-N 3.45Å; I115-V117 VanDerWaalsContact O-N 3.1Å; V117-K121 HydrophobicContact CG1-CD 3.84Å; V117-K121 HydrophobicContact CG1-CG 4.36Å; V117-K121 VanDerWaalsContact CG1-NZ 3.27Å; V117-K121 VanDerWaalsContact O-CB 3.31Å; V117-K121 WeakPolarHBondContact O-CB 3.49Å; V117-K121 WeakPolarHBondContact O-CG 3.47Å; V117-K121 PolarHBondContact O-N 3.03Å
118	E	94.1	Very high	95	Very high	142 Å²	142	71.8 Å²	71.8	66%	0.664	34%	0.337	S	S	*	.	H	α-helix	trans	-66.3	-45.6	-179.1	-70.4	63	-133.8	0	0	111.7	S116 K121 R122	S116-E118 VanDerWaalsContact C-N 3.32Å; S116-E118 PolarHBondContact O-N 3.24Å; E118-K121 PolarHBondContact O-N 3.27Å; E118-R122 WeakPolarHBondContact O-CB 3.44Å; E118-R122 PolarHBondContact O-N 3.25Å
119	E	95.6	Very high	94.9	Very high	139 Å²	139	79.6 Å²	79.6	65%	0.65	37%	0.371	S	S	*	.	H	α-helix	trans	-64.7	-45.2	178.4	-63.3	180	169	0	0	110.9	S116 R122 Y123	S116-E119 PolarHBondContact O-N 3.46Å; E119-R122 WeakPolarHBondContact O-CB 3.2Å; E119-R122 PolarHBondContact O-N 3.1Å; E119-Y123 PolarHBondContact O-N 2.96Å
120	T	96	Very high	94.9	Very high	7 Å²	7	80.3 Å²	80.3	4%	0.043	38%	0.38	C	S	.	.	H	α-helix	trans	-61.4	-46.2	178	-58.7	0	0	0	0	111.1	L107 N110 L111 S116 R122 Y123 I124	L107-T120 HydrophobicContact CB-CG2 4.33Å; L107-T120 HydrophobicContact CD2-CG2 3.7Å; N110-T120 HydrophobicContact CB-CG2 4.21Å; L111-T120 HydrophobicContact CD1-CG2 4.35Å; L111-T120 HydrophobicContact CD2-CG2 3.82Å; L111-T120 HydrophobicContact CG-CG2 3.72Å; S116-T120 WeakPolarHBondContact O-CB 3.37Å; S116-T120 PolarHBondContact O-N 3.05Å; S116-T120 PolarHBondContact O-OG1 2.9Å; T120-R122 VanDerWaalsContact C-N 3.35Å; T120-R122 PolarHBondContact O-N 2.61Å; T120-Y123 PolarHBondContact O-N 3.02Å; T120-I124 HydrophobicContact CG2-CD1 3.98Å; T120-I124 WeakPolarHBondContact O-CD1 3.49Å; T120-I124 VanDerWaalsContact O-CG1 3.27Å; T120-I124 WeakPolarHBondContact O-CG1 3.44Å; T120-I124 PolarHBondContact O-N 3Å
121	K	95.3	Very high	94.8	Very high	122 Å²	122	79 Å²	79	53%	0.53	37%	0.373	S	S	.	.	H	α-helix	trans	-61.6	-41.2	174.8	-77.5	172.3	-178.3	165.2	0	112.2	L111 V117 E118 I124 E125	L111-K121 HydrophobicContact CD2-CG 4.28Å; V117-K121 HydrophobicContact CG1-CD 3.84Å; V117-K121 HydrophobicContact CG1-CG 4.36Å; V117-K121 VanDerWaalsContact CG1-NZ 3.27Å; V117-K121 VanDerWaalsContact O-CB 3.31Å; V117-K121 WeakPolarHBondContact O-CB 3.49Å; V117-K121 WeakPolarHBondContact O-CG 3.47Å; V117-K121 PolarHBondContact O-N 3.03Å; E118-K121 PolarHBondContact O-N 3.27Å; K121-I124 PolarHBondContact O-N 3.31Å; K121-E125 WeakPolarHBondContact O-CB 3.28Å; K121-E125 PolarHBondContact O-N 2.65Å
122	R	96.9	Very high	94.7	Very high	181 Å²	181	84.6 Å²	84.6	68%	0.683	40%	0.396	S	S	*	.	H	α-helix	trans	-63.2	-42.7	176.9	-174.8	-178.5	178.6	-145.3	-0.6	111.3	E118 E119 T120 E125 N126	E118-R122 WeakPolarHBondContact O-CB 3.44Å; E118-R122 PolarHBondContact O-N 3.25Å; E119-R122 WeakPolarHBondContact O-CB 3.2Å; E119-R122 PolarHBondContact O-N 3.1Å; T120-R122 VanDerWaalsContact C-N 3.35Å; T120-R122 PolarHBondContact O-N 2.61Å; R122-E125 PolarHBondContact O-N 3.22Å; R122-N126 WeakPolarHBondContact O-CB 3.42Å; R122-N126 PolarHBondContact O-N 3.08Å
123	Y	96.4	Very high	94.6	Very high	92 Å²	92	90.1 Å²	90.1	36%	0.361	42%	0.421	S	S	.	.	H	α-helix	trans	-60.5	-47.6	175.3	-178.3	-92.7	0	0	0	111.6	F84 L107 E119 T120 E125 N126 Y127	F84-Y123 HydrophobicContact CE1-CE1 4.37Å; F84-Y123 HydrophobicContact CZ-CE1 4.27Å; L107-Y123 HydrophobicContact CD1-CD1 3.94Å; L107-Y123 HydrophobicContact CD1-CE1 3.9Å; L107-Y123 HydrophobicContact CD2-CD1 3.72Å; L107-Y123 HydrophobicContact CD2-CE1 4.28Å; L107-Y123 HydrophobicContact CD2-CG 4.46Å; L107-Y123 HydrophobicContact CG-CD1 4.48Å; E119-Y123 PolarHBondContact O-N 2.96Å; T120-Y123 PolarHBondContact O-N 3.02Å; Y123-E125 VanDerWaalsContact C-N 3.33Å; Y123-E125 PolarHBondContact O-N 3.23Å; Y123-N126 PolarHBondContact O-N 3.36Å; Y123-Y127 WeakPolarHBondContact O-CB 3.37Å; Y123-Y127 PolarHBondContact O-N 3.02Å
124	I	96.3	Very high	94.5	Very high	16 Å²	16	90 Å²	90	8%	0.082	42%	0.42	C	S	.	.	H	α-helix	trans	-59.7	-43.5	178.1	-67.3	158.3	0	0	0	111.2	L80 F84 L107 L111 T120 K121 Y127 K128	L80-I124 HydrophobicContact CD2-CD1 3.66Å; L80-I124 HydrophobicContact CD2-CG1 3.85Å; L80-I124 HydrophobicContact CD2-CG2 4.24Å; F84-I124 HydrophobicContact CE2-CG1 4.28Å; F84-I124 HydrophobicContact CE2-CG2 4.46Å; F84-I124 HydrophobicContact CZ-CG1 4.49Å; L107-I124 HydrophobicContact CD1-CG1 4.42Å; L111-I124 HydrophobicContact CD1-CD1 3.71Å; T120-I124 HydrophobicContact CG2-CD1 3.98Å; T120-I124 WeakPolarHBondContact O-CD1 3.49Å; T120-I124 VanDerWaalsContact O-CG1 3.27Å; T120-I124 WeakPolarHBondContact O-CG1 3.44Å; T120-I124 PolarHBondContact O-N 3Å; K121-I124 PolarHBondContact O-N 3.31Å; I124-Y127 PolarHBondContact O-N 3.29Å; I124-K128 HydrophobicContact CG2-CD 4.25Å; I124-K128 VanDerWaalsContact O-CG 3.3Å; I124-K128 WeakPolarHBondContact O-CG 3.28Å; I124-K128 PolarHBondContact O-N 3.33Å
125	E	96.5	Very high	94.6	Very high	123 Å²	123	85.8 Å²	85.8	58%	0.575	40%	0.397	S	S	*	.	H	α-helix	trans	-66	-43.3	179.5	-170.2	62	-159.6	0	0	112	K121 R122 Y123 K128 K129	K121-E125 WeakPolarHBondContact O-CB 3.28Å; K121-E125 PolarHBondContact O-N 2.65Å; R122-E125 PolarHBondContact O-N 3.22Å; Y123-E125 VanDerWaalsContact C-N 3.33Å; Y123-E125 PolarHBondContact O-N 3.23Å; E125-K128 PolarHBondContact O-N 3.44Å; E125-K129 PolarHBondContact O-N 3.15Å
126	N	96.8	Very high	94.6	Very high	72 Å²	72	89.1 Å²	89.1	39%	0.385	41%	0.409	S	S	.	.	H	α-helix	trans	-61.2	-46.6	174.4	-73.4	-7.8	0	0	0	111.1	R122 Y123 K128 K129 E130	R122-N126 WeakPolarHBondContact O-CB 3.42Å; R122-N126 PolarHBondContact O-N 3.08Å; Y123-N126 PolarHBondContact O-N 3.36Å; N126-K128 VanDerWaalsContact C-N 3.34Å; N126-K128 PolarHBondContact O-N 3.09Å; N126-K129 WeakPolarHBondContact O-CB 3.04Å; N126-K129 PolarHBondContact O-N 3.19Å; N126-K129 VanDerWaalsContact O-N 3.11Å; N126-E130 WeakPolarHBondContact O-CG 3.23Å; N126-E130 PolarHBondContact O-N 2.84Å
127	Y	96	Very high	94.6	Very high	17 Å²	17	92.6 Å²	92.6	7%	0.067	42%	0.416	C	S	.	.	H	α-helix	trans	-58.3	-45	177.5	-179.9	-87.8	0	0	0	111.7	F84 K86 Y100 Y123 I124 K129 E130 N131 I135	F84-Y127 HydrophobicContact CD1-CD1 4.02Å; F84-Y127 HydrophobicContact CD1-CD2 4.42Å; F84-Y127 AromaticContact CD1-CE1 3.62Å; F84-Y127 HydrophobicContact CD1-CE1 3.62Å; F84-Y127 HydrophobicContact CD1-CE2 4.04Å; F84-Y127 HydrophobicContact CD1-CG 4.41Å; F84-Y127 AromaticContact CD1-CZ 3.63Å; F84-Y127 HydrophobicContact CD2-CD1 4.41Å; F84-Y127 HydrophobicContact CD2-CE1 4.36Å; F84-Y127 AromaticContact CE1-CD1 3.6Å; F84-Y127 HydrophobicContact CE1-CD1 3.6Å; F84-Y127 AromaticContact CE1-CD2 3.72Å; F84-Y127 HydrophobicContact CE1-CD2 3.72Å; F84-Y127 AromaticContact CE1-CE1 3.68Å; F84-Y127 HydrophobicContact CE1-CE1 3.68Å; F84-Y127 AromaticContact CE1-CE2 3.78Å; F84-Y127 HydrophobicContact CE1-CE2 3.78Å; F84-Y127 AromaticContact CE1-CG 3.63Å; F84-Y127 HydrophobicContact CE1-CG 3.63Å; F84-Y127 AromaticContact CE1-CZ 3.77Å; F84-Y127 HydrophobicContact CE2-CD1 4.03Å; F84-Y127 HydrophobicContact CE2-CE1 4.41Å; F84-Y127 HydrophobicContact CG-CD1 4.4Å; F84-Y127 AromaticContact CG-CE1 3.97Å; F84-Y127 HydrophobicContact CG-CE1 3.97Å; F84-Y127 AromaticContact CZ-CD1 3.61Å; F84-Y127 HydrophobicContact CZ-CD1 3.61Å; F84-Y127 HydrophobicContact CZ-CD2 4.24Å; F84-Y127 HydrophobicContact CZ-CE1 4.09Å; F84-Y127 AromaticContact CZ-CG 3.7Å; F84-Y127 HydrophobicContact CZ-CG 3.7Å; K86-Y127 WeakPolarHBondContact CE-OH 3.29Å; Y100-Y127 HydrophobicContact CE2-CE2 4.33Å; Y100-Y127 PolarHBondContact OH-OH 3.07Å; Y123-Y127 WeakPolarHBondContact O-CB 3.37Å; Y123-Y127 PolarHBondContact O-N 3.02Å; I124-Y127 PolarHBondContact O-N 3.29Å; Y127-K129 VanDerWaalsContact C-N 3.32Å; Y127-K129 PolarHBondContact O-N 3.43Å; Y127-E130 PolarHBondContact O-N 3.37Å; Y127-N131 VanDerWaalsContact CD2-ND2 3.33Å; Y127-N131 WeakPolarHBondContact CD2-ND2 3.45Å; Y127-N131 HydrophobicContact CE1-CB 4.18Å; Y127-N131 WeakPolarHBondContact CE2-ND2 3.46Å; Y127-N131 WeakPolarHBondContact O-CB 3.39Å; Y127-N131 PolarHBondContact O-N 3.3Å; Y127-N131 PolarHBondContact O-ND2 2.95Å; Y127-I135 HydrophobicContact CE1-CD1 4.38Å
128	K	95.2	Very high	94.4	Very high	53 Å²	53	92.1 Å²	92.1	23%	0.23	41%	0.413	C	S	.	.	H	α-helix	trans	-60.1	-41.1	175.7	-75.4	171.6	-175.6	-109	0	112.4	D83 I124 E125 N126 K132	D83-K128 HydrophobicContact CB-CG 4.29Å; D83-K128 IonicContact OD1-NZ 2.75Å; D83-K128 PolarHBondContact OD1-NZ 3.18Å; D83-K128 WeakPolarHBondContact OD2-CE 3.48Å; D83-K128 IonicContact OD2-NZ 3.45Å; D83-K128 PolarHBondContact OD2-NZ 2.94Å; I124-K128 HydrophobicContact CG2-CD 4.25Å; I124-K128 VanDerWaalsContact O-CG 3.3Å; I124-K128 WeakPolarHBondContact O-CG 3.28Å; I124-K128 PolarHBondContact O-N 3.33Å; E125-K128 PolarHBondContact O-N 3.44Å; N126-K128 VanDerWaalsContact C-N 3.34Å; N126-K128 PolarHBondContact O-N 3.09Å; K128-K132 WeakPolarHBondContact O-CA 3.47Å; K128-K132 WeakPolarHBondContact O-CB 3.47Å; K128-K132 PolarHBondContact O-N 3.28Å; K128-K132 VanDerWaalsContact O-N 3.13Å
129	K	95.5	Very high	94.1	Very high	167 Å²	167	92.5 Å²	92.5	73%	0.726	41%	0.408	S	S	*	.	H	α-helix	trans	-66.6	-45.1	-179.8	-173.6	-178.7	177.6	-175	0	111.3	E125 N126 Y127	E125-K129 PolarHBondContact O-N 3.15Å; N126-K129 WeakPolarHBondContact O-CB 3.04Å; N126-K129 PolarHBondContact O-N 3.19Å; N126-K129 VanDerWaalsContact O-N 3.11Å; Y127-K129 VanDerWaalsContact C-N 3.32Å; Y127-K129 PolarHBondContact O-N 3.43Å
130	E	95.5	Very high	93.6	Very high	153 Å²	153	91.2 Å²	91.2	72%	0.715	41%	0.41	S	S	*	.	H	α-helix	trans	-72	-38	-178.8	-69.9	170.3	-174.1	0	0	112.4	N126 Y127	N126-E130 WeakPolarHBondContact O-CG 3.23Å; N126-E130 PolarHBondContact O-N 2.84Å; Y127-E130 PolarHBondContact O-N 3.37Å
131	N	93.7	Very high	92.9	Very high	16 Å²	16	94.2 Å²	94.2	9%	0.086	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	11.7	-174.4	-62.9	-91.6	0	0	0	113.5	K86 Y127 E133 I134 I135	K86-N131 VanDerWaalsContact CE-OD1 3.3Å; K86-N131 WeakPolarHBondContact CE-OD1 3.21Å; K86-N131 PolarHBondContact NZ-OD1 3.08Å; K86-N131 VanDerWaalsContact NZ-OD1 3.13Å; Y127-N131 VanDerWaalsContact CD2-ND2 3.33Å; Y127-N131 WeakPolarHBondContact CD2-ND2 3.45Å; Y127-N131 HydrophobicContact CE1-CB 4.18Å; Y127-N131 WeakPolarHBondContact CE2-ND2 3.46Å; Y127-N131 WeakPolarHBondContact O-CB 3.39Å; Y127-N131 PolarHBondContact O-N 3.3Å; Y127-N131 PolarHBondContact O-ND2 2.95Å; N131-E133 VanDerWaalsContact C-N 3.28Å; N131-E133 PolarHBondContact O-N 2.98Å; N131-E133 VanDerWaalsContact O-N 3.11Å; N131-I134 PolarHBondContact O-N 2.8Å; N131-I135 HydrophobicContact CB-CD1 4.12Å; N131-I135 HydrophobicContact CB-CG1 4.18Å; N131-I135 VanDerWaalsContact O-CG1 3.27Å; N131-I135 WeakPolarHBondContact O-CG1 3.43Å; N131-I135 PolarHBondContact O-N 2.88Å
132	K	93.8	Very high	91.6	Very high	141 Å²	141	92.8 Å²	92.8	61%	0.613	43%	0.425	S	S	*	.	H	α-helix	trans	-47.8	-45.9	-172.8	-173.7	-179.4	177.7	-175.9	0	114	K128 K136	K128-K132 WeakPolarHBondContact O-CA 3.47Å; K128-K132 WeakPolarHBondContact O-CB 3.47Å; K128-K132 PolarHBondContact O-N 3.28Å; K128-K132 VanDerWaalsContact O-N 3.13Å; K132-K136 WeakPolarHBondContact O-CB 3.43Å; K132-K136 PolarHBondContact O-N 2.86Å; K132-K136 VanDerWaalsContact O-N 3.1Å
133	E	92.2	Very high	90	Very high	128 Å²	128	86 Å²	86	60%	0.598	41%	0.405	S	S	*	.	H	α-helix	trans	-73.1	-38.5	-178.7	-62.9	-51.4	125.3	0	0	112.5	N131 I135 K136 K137	N131-E133 VanDerWaalsContact C-N 3.28Å; N131-E133 PolarHBondContact O-N 2.98Å; N131-E133 VanDerWaalsContact O-N 3.11Å; E133-I135 VanDerWaalsContact C-N 3.34Å; E133-K136 PolarHBondContact O-N 3.29Å; E133-K137 WeakPolarHBondContact O-CB 3.42Å; E133-K137 PolarHBondContact O-N 3.35Å
134	I	91.4	Very high	88.2	Confident	69 Å²	69	89.4 Å²	89.4	35%	0.354	43%	0.425	S	S	.	.	H	α-helix	trans	-62.1	-45.7	174.9	-61.1	171.2	0	0	0	109.6	K86 N131 K136 K137 N138	K86-I134 HydrophobicContact CG-CG2 4.39Å; N131-I134 PolarHBondContact O-N 2.8Å; I134-K136 VanDerWaalsContact C-N 3.34Å; I134-K136 PolarHBondContact O-N 2.85Å; I134-K137 PolarHBondContact O-N 2.78Å; I134-N138 WeakPolarHBondContact O-CB 3.35Å; I134-N138 PolarHBondContact O-N 2.73Å
135	I	92.7	Very high	86.2	Confident	12 Å²	12	93.5 Å²	93.5	6%	0.062	45%	0.446	C	S	.	.	H	α-helix	trans	-59.7	-47.5	179.3	-64	170.3	0	0	0	110.4	D83 N85 Y127 N131 E133 K137 N138 R139	D83-I135 VanDerWaalsContact O-CD1 3.24Å; D83-I135 WeakPolarHBondContact O-CD1 3Å; D83-I135 WeakPolarHBondContact O-CG1 3.06Å; N85-I135 PolarHBondContact ND2-O 3.38Å; N85-I135 WeakPolarHBondContact OD1-CA 3.31Å; Y127-I135 HydrophobicContact CE1-CD1 4.38Å; N131-I135 HydrophobicContact CB-CD1 4.12Å; N131-I135 HydrophobicContact CB-CG1 4.18Å; N131-I135 VanDerWaalsContact O-CG1 3.27Å; N131-I135 WeakPolarHBondContact O-CG1 3.43Å; N131-I135 PolarHBondContact O-N 2.88Å; E133-I135 VanDerWaalsContact C-N 3.34Å; I135-K137 PolarHBondContact O-N 2.88Å; I135-N138 PolarHBondContact O-N 3.04Å; I135-R139 WeakPolarHBondContact O-CG 3.36Å; I135-R139 PolarHBondContact O-N 3.48Å
136	K	92.5	Very high	84.2	Confident	142 Å²	142	90.4 Å²	90.4	62%	0.617	44%	0.442	S	S	*	.	H	α-helix	trans	-61.7	-43.4	178.6	-171.5	-179.2	177.4	-172.4	0	111.9	K132 E133 I134 R139	K132-K136 WeakPolarHBondContact O-CB 3.43Å; K132-K136 PolarHBondContact O-N 2.86Å; K132-K136 VanDerWaalsContact O-N 3.1Å; E133-K136 PolarHBondContact O-N 3.29Å; I134-K136 VanDerWaalsContact C-N 3.34Å; I134-K136 PolarHBondContact O-N 2.85Å; K136-R139 PolarHBondContact O-N 2.78Å
137	K	91.2	Very high	82	Confident	134 Å²	134	94.2 Å²	94.2	58%	0.583	46%	0.455	S	S	*	.	H	α-helix	trans	-63.9	-44	176.7	-174.5	-177.3	180	-176.5	0	111.8	E133 I134 I135 R139 T140 K141	E133-K137 WeakPolarHBondContact O-CB 3.42Å; E133-K137 PolarHBondContact O-N 3.35Å; I134-K137 PolarHBondContact O-N 2.78Å; I135-K137 PolarHBondContact O-N 2.88Å; K137-R139 VanDerWaalsContact C-N 3.31Å; K137-R139 PolarHBondContact O-N 2.8Å; K137-T140 PolarHBondContact O-N 3.47Å; K137-T140 PolarHBondContact O-OG1 3.16Å; K137-K141 PolarHBondContact O-N 3.29Å
138	N	89.7	Confident	79.7	Confident	8 Å²	8	99.1 Å²	99.1	4%	0.043	48%	0.483	C	S	.	.	H	α-helix	trans	-73.3	-22.6	-177.4	-76.9	0.3	0	0	0	112.9	N85 D90 I134 I135 K141	N85-N138 HydrophobicContact CB-CB 4.41Å; N85-N138 VanDerWaalsContact ND2-CB 3.32Å; N85-N138 WeakPolarHBondContact ND2-CB 3.32Å; N85-N138 WeakPolarHBondContact O-CB 3.44Å; N85-N138 PolarHBondContact O-ND2 3.23Å; D90-N138 PolarHBondContact OD2-ND2 3.13Å; I134-N138 WeakPolarHBondContact O-CB 3.35Å; I134-N138 PolarHBondContact O-N 2.73Å; I135-N138 PolarHBondContact O-N 3.04Å; N138-K141 WeakPolarHBondContact OD1-CD 3.5Å; N138-K141 WeakPolarHBondContact OD1-CE 3.04Å; N138-K141 PolarHBondContact OD1-NZ 2.96Å
139	R	87.2	Confident	77.5	Confident	150 Å²	150	102.7 Å²	102.7	57%	0.566	50%	0.5	S	S	*	.	H	α-helix	trans	-69.7	-29.4	171	-76.8	179	-177.2	-167.5	2.2	113.6	S82 D83 I135 K136 K137	S82-R139 PolarHBondContact O-NE 3.16Å; S82-R139 PolarHBondContact O-NH2 3.13Å; D83-R139 IonicContact OD1-NH2 3.4Å; I135-R139 WeakPolarHBondContact O-CG 3.36Å; I135-R139 PolarHBondContact O-N 3.48Å; K136-R139 PolarHBondContact O-N 2.78Å; K137-R139 VanDerWaalsContact C-N 3.31Å; K137-R139 PolarHBondContact O-N 2.8Å
140	T	85.2	Confident	75.1	Confident	112 Å²	112	100.1 Å²	100.1	69%	0.687	50%	0.498	S	S	*	.	H	α-helix	trans	-90.3	-22	179.5	59.4	0	0	0	0	113.1	K137 P142	K137-T140 PolarHBondContact O-N 3.47Å; K137-T140 PolarHBondContact O-OG1 3.16Å; T140-P142 WeakPolarHBondContact O-CD 3.49Å
141	K	80.2	Confident	72.5	Confident	71 Å²	71	96.4 Å²	96.4	31%	0.309	49%	0.489	S	S	.	.	S	Bend	trans	-62.3	117.4	172.4	-73.4	178.7	-175.9	169.9	0	109.1	D90 K137 N138 S143	D90-K141 IonicContact OD1-NZ 3.27Å; D90-K141 PolarHBondContact OD1-NZ 3.23Å; K137-K141 PolarHBondContact O-N 3.29Å; N138-K141 WeakPolarHBondContact OD1-CD 3.5Å; N138-K141 WeakPolarHBondContact OD1-CE 3.04Å; N138-K141 PolarHBondContact OD1-NZ 2.96Å; K141-S143 PolarHBondContact O-N 2.86Å
142	P	68.6	Low	70.2	Confident	91 Å²	91	100.6 Å²	100.6	59%	0.591	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-60.5	131.4	170.3	25.2	-31.5	0	0	0	108	T140 H144	T140-P142 WeakPolarHBondContact O-CD 3.49Å; P142-H144 PolarHBondContact O-N 3.23Å; P142-H144 VanDerWaalsContact O-N 3.11Å
143	S	62.9	Low	67.7	Low	38 Å²	38	100.6 Å²	100.6	27%	0.266	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-57.9	122.5	170.5	-160.9	0	0	0	0	107.4	R87 K141 N145 A146	R87-S143 PolarHBondContact NH1-OG 3.21Å; R87-S143 VanDerWaalsContact NH2-CA 3.27Å; R87-S143 VanDerWaalsContact NH2-CB 3.29Å; R87-S143 PolarHBondContact NH2-OG 2.96Å; K141-S143 PolarHBondContact O-N 2.86Å; S143-N145 PolarHBondContact O-N 3.4Å; S143-A146 PolarHBondContact O-N 2.92Å
144	H	59	Low	65.5	Low	165 Å²	165	102.4 Å²	102.4	76%	0.764	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-29.2	176.2	-170.1	-84.2	0	0	0	111	P142	P142-H144 PolarHBondContact O-N 3.23Å; P142-H144 VanDerWaalsContact O-N 3.11Å
145	N	54.9	Low	63.4	Low	101 Å²	101	105.4 Å²	105.4	54%	0.54	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-18.8	178.9	-138	-13.6	0	0	0	115.3	S143 K147 N148	S143-N145 PolarHBondContact O-N 3.4Å; N145-K147 VanDerWaalsContact C-N 3.27Å; N145-K147 PolarHBondContact O-N 3.44Å; N145-N148 PolarHBondContact O-N 2.91Å
146	A	54.7	Low	61.3	Low	59 Å²	59	109.8 Å²	109.8	49%	0.488	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.3	-19.8	-178.5	0	0	0	0	0	112.9	S143 T150	S143-A146 PolarHBondContact O-N 2.92Å; A146-T150 PolarHBondContact O-OG1 3.44Å; A146-T150 VanDerWaalsContact O-OG1 3.09Å
147	K	49.2	Very low	59.3	Low	152 Å²	152	112.3 Å²	112.3	66%	0.661	58%	0.577	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-17.4	178.9	-65.2	-175.4	179.9	-179.6	0	113.4	N145	N145-K147 VanDerWaalsContact C-N 3.27Å; N145-K147 PolarHBondContact O-N 3.44Å
148	N	48	Very low	57.4	Low	119 Å²	119	113.9 Å²	113.9	64%	0.636	59%	0.586	S	S	*	*	S	Bend	trans	-99.3	-6.8	-175.8	-65.2	-10.9	0	0	0	113.5	N145	N145-N148 PolarHBondContact O-N 2.91Å
149	H	49.1	Very low	55.5	Low	129 Å²	129	118.9 Å²	118.9	60%	0.597	62%	0.619	S	S	*	*	S	Bend	trans	-114.2	15.3	-178.7	-89.1	-77.5	0	0	0	114.1	S151	H149-S151 VanDerWaalsContact C-N 3.27Å; H149-S151 PolarHBondContact O-N 2.89Å
150	T	45.7	Very low	53.6	Low	113 Å²	113	119.1 Å²	119.1	69%	0.693	62%	0.621	S	S	*	*			trans	-86.5	17.4	179.9	-27.5	0	0	0	0	113.9	A146	A146-T150 PolarHBondContact O-OG1 3.44Å; A146-T150 VanDerWaalsContact O-OG1 3.09Å
151	S	41.3	Very low	52.1	Low	74 Å²	74	117.8 Å²	117.8	52%	0.517	61%	0.613	S	S	.	*	S	Bend	trans	-71.3	126.2	150.1	62.1	0	0	0	0	105.9	H149 L153	H149-S151 VanDerWaalsContact C-N 3.27Å; H149-S151 PolarHBondContact O-N 2.89Å; S151-L153 PolarHBondContact O-N 3.27Å
152	P	44.5	Very low	50.8	Low	104 Å²	104	120.1 Å²	120.1	68%	0.675	63%	0.632	S	S	*	*			trans	-50.2	117.4	167.3	-18	28.6	0	0	0	105.8	Q154	P152-Q154 PolarHBondContact O-N 3.1Å
153	L	42	Very low	50.4	Low	142 Å²	142	124.7 Å²	124.7	74%	0.743	65%	0.646	S	S	*	*			trans	-66	81.7	158.4	-72	-178.2	0	0	0	104.3	S151 F155	S151-L153 PolarHBondContact O-N 3.27Å; L153-F155 PolarHBondContact O-N 3.07Å
154	Q	45.8	Very low	49.6	Very low	166 Å²	166	127.3 Å²	127.3	78%	0.776	66%	0.656	S	S	*	*			trans	-75.8	51.8	166.9	-166.6	160.4	-17.7	0	0	107	P152 V156	P152-Q154 PolarHBondContact O-N 3.1Å; Q154-V156 VanDerWaalsContact C-N 3.3Å; Q154-V156 HydrophobicContact CG-CG2 4.36Å; Q154-V156 PolarHBondContact O-N 3.05Å
155	F	46.6	Very low	48.9	Very low	131 Å²	131	124.4 Å²	124.4	58%	0.575	65%	0.653	S	S	*	*			trans	-86.7	86.7	163.3	-169.4	-87.7	0	0	0	105.2	L153 Y157	L153-F155 PolarHBondContact O-N 3.07Å; F155-Y157 HydrophobicContact CD1-CD1 4.22Å; F155-Y157 AromaticContact CD1-CD2 3.39Å; F155-Y157 HydrophobicContact CD1-CD2 3.39Å; F155-Y157 HydrophobicContact CD1-CE1 4.13Å; F155-Y157 AromaticContact CD1-CE2 3.3Å; F155-Y157 HydrophobicContact CD1-CE2 3.3Å; F155-Y157 AromaticContact CD1-CG 3.84Å; F155-Y157 HydrophobicContact CD1-CG 3.84Å; F155-Y157 AromaticContact CD1-CZ 3.67Å; F155-Y157 AromaticContact CE1-CD1 3.45Å; F155-Y157 HydrophobicContact CE1-CD1 3.45Å; F155-Y157 VanDerWaalsContact CE1-CD1 3.45Å; F155-Y157 AromaticContact CE1-CD2 3.52Å; F155-Y157 HydrophobicContact CE1-CD2 3.52Å; F155-Y157 AromaticContact CE1-CE1 3.39Å; F155-Y157 HydrophobicContact CE1-CE1 3.39Å; F155-Y157 AromaticContact CE1-CE2 3.48Å; F155-Y157 HydrophobicContact CE1-CE2 3.48Å; F155-Y157 VanDerWaalsContact CE1-CE2 3.48Å; F155-Y157 AromaticContact CE1-CG 3.47Å; F155-Y157 HydrophobicContact CE1-CG 3.47Å; F155-Y157 VanDerWaalsContact CE1-CG 3.47Å; F155-Y157 AromaticContact CE1-CZ 3.39Å; F155-Y157 HydrophobicContact CZ-CD1 4.39Å; F155-Y157 HydrophobicContact CZ-CE1 4.25Å; F155-Y157 PolarHBondContact O-N 3.41Å
156	V	48.9	Very low	48.5	Very low	105 Å²	105	120.9 Å²	120.9	64%	0.636	64%	0.641	S	S	*	*			trans	-70.8	107.9	164.8	-179.7	0	0	0	0	105	Q154 E158	Q154-V156 VanDerWaalsContact C-N 3.3Å; Q154-V156 HydrophobicContact CG-CG2 4.36Å; Q154-V156 PolarHBondContact O-N 3.05Å; V156-E158 VanDerWaalsContact C-N 3.34Å; V156-E158 PolarHBondContact O-N 2.81Å
157	Y	50.1	Low	48.4	Very low	195 Å²	195	124.1 Å²	124.1	77%	0.765	66%	0.657	S	S	*	*			trans	-62.6	101.9	166.2	-81.1	-92.6	0	0	0	106.6	F155	F155-Y157 HydrophobicContact CD1-CD1 4.22Å; F155-Y157 AromaticContact CD1-CD2 3.39Å; F155-Y157 HydrophobicContact CD1-CD2 3.39Å; F155-Y157 HydrophobicContact CD1-CE1 4.13Å; F155-Y157 AromaticContact CD1-CE2 3.3Å; F155-Y157 HydrophobicContact CD1-CE2 3.3Å; F155-Y157 AromaticContact CD1-CG 3.84Å; F155-Y157 HydrophobicContact CD1-CG 3.84Å; F155-Y157 AromaticContact CD1-CZ 3.67Å; F155-Y157 AromaticContact CE1-CD1 3.45Å; F155-Y157 HydrophobicContact CE1-CD1 3.45Å; F155-Y157 VanDerWaalsContact CE1-CD1 3.45Å; F155-Y157 AromaticContact CE1-CD2 3.52Å; F155-Y157 HydrophobicContact CE1-CD2 3.52Å; F155-Y157 AromaticContact CE1-CE1 3.39Å; F155-Y157 HydrophobicContact CE1-CE1 3.39Å; F155-Y157 AromaticContact CE1-CE2 3.48Å; F155-Y157 HydrophobicContact CE1-CE2 3.48Å; F155-Y157 VanDerWaalsContact CE1-CE2 3.48Å; F155-Y157 AromaticContact CE1-CG 3.47Å; F155-Y157 HydrophobicContact CE1-CG 3.47Å; F155-Y157 VanDerWaalsContact CE1-CG 3.47Å; F155-Y157 AromaticContact CE1-CZ 3.39Å; F155-Y157 HydrophobicContact CZ-CD1 4.39Å; F155-Y157 HydrophobicContact CZ-CE1 4.25Å; F155-Y157 PolarHBondContact O-N 3.41Å
158	E	52.8	Low	48.5	Very low	166 Å²	166	122.6 Å²	122.6	78%	0.776	65%	0.654	S	S	*	*			trans	-69.1	137.4	163.6	-72.9	-175.7	170.1	0	0	108.2	V156 Y160	V156-E158 VanDerWaalsContact C-N 3.34Å; V156-E158 PolarHBondContact O-N 2.81Å; E158-Y160 PolarHBondContact O-N 3.2Å
159	P	49.7	Very low	48.7	Very low	114 Å²	114	121.6 Å²	121.6	74%	0.74	65%	0.654	S	S	*	*			trans	-53.4	136.8	177.1	-21.9	31.4	0	0	0	110.3	V161	P159-V161 PolarHBondContact O-N 2.94Å
160	Y	46.4	Very low	49	Very low	155 Å²	155	118 Å²	118	61%	0.608	64%	0.642	S	S	*	*			trans	-55.8	114.2	174	178.6	-104	0	0	0	109.8	E158 V162	E158-Y160 PolarHBondContact O-N 3.2Å; Y160-V162 HydrophobicContact CD1-CG2 3.96Å; Y160-V162 HydrophobicContact CE1-CB 4.3Å; Y160-V162 HydrophobicContact CE1-CG2 4.13Å; Y160-V162 PolarHBondContact O-N 3.39Å
161	V	54.7	Low	49.4	Very low	84 Å²	84	117 Å²	117	51%	0.509	63%	0.632	S	S	.	*			trans	-81.1	103.6	175	-175.7	0	0	0	0	107.1	P159 E163 L164	P159-V161 PolarHBondContact O-N 2.94Å; V161-E163 HydrophobicContact CG1-CB 4.42Å; V161-E163 PolarHBondContact O-N 3.12Å; V161-L164 HydrophobicContact CB-CD1 4.22Å; V161-L164 HydrophobicContact CG1-CD1 4.25Å; V161-L164 PolarHBondContact O-N 3.22Å
162	V	52.2	Low	50.1	Low	119 Å²	119	120 Å²	120	72%	0.721	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.8	-23.4	-174	-173.3	0	0	0	0	112.8	Y160 L164	Y160-V162 HydrophobicContact CD1-CG2 3.96Å; Y160-V162 HydrophobicContact CE1-CB 4.3Å; Y160-V162 HydrophobicContact CE1-CG2 4.13Å; Y160-V162 PolarHBondContact O-N 3.39Å; V162-L164 VanDerWaalsContact C-N 3.28Å; V162-L164 PolarHBondContact O-N 3.23Å
163	E	59.3	Low	50.7	Low	188 Å²	188	119.7 Å²	119.7	88%	0.879	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-9.7	177.8	-56.6	-161.7	171.4	0	0	114	V161	V161-E163 HydrophobicContact CG1-CB 4.42Å; V161-E163 PolarHBondContact O-N 3.12Å
164	L	45.8	Very low	51.3	Low	92 Å²	92	117.6 Å²	117.6	48%	0.482	64%	0.643	S	S	.	*	S	Bend	trans	-108.9	111.5	174.5	-71.8	163.8	0	0	0	109	V161 V162 G166	V161-L164 HydrophobicContact CB-CD1 4.22Å; V161-L164 HydrophobicContact CG1-CD1 4.25Å; V161-L164 PolarHBondContact O-N 3.22Å; V162-L164 VanDerWaalsContact C-N 3.28Å; V162-L164 PolarHBondContact O-N 3.23Å; L164-G166 PolarHBondContact O-N 3.1Å
165	C	44.4	Very low	51.6	Low	104 Å²	104	120.9 Å²	120.9	70%	0.703	65%	0.648	S	S	*	*	S	Bend	trans	-66.7	99.4	171.5	177.1	0	0	0	0	109
166	G	47.9	Very low	51.9	Low	28 Å²	28	119.4 Å²	119.4	29%	0.289	64%	0.643	S	S	.	*	S	Bend	trans	89.9	166.9	175.5	0	0	0	0	0	114.3	L164	L164-G166 PolarHBondContact O-N 3.1Å
167	P	51	Low	52.3	Low	127 Å²	127	120.4 Å²	120.4	83%	0.825	64%	0.643	S	S	*	*	S	Bend	trans	-60.2	140.5	176.1	26.5	-33	0	0	0	109.7
168	M	52.3	Low	52.7	Low	120 Å²	120	120.1 Å²	120.1	59%	0.591	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-57.3	130.1	178	-152.9	174.3	70.8	0	0	109	L171	M168-L171 HydrophobicContact CE-CD1 3.54Å; M168-L171 HydrophobicContact CE-CG 4.26Å
169	P	53.1	Low	53.1	Low	98 Å²	98	116.8 Å²	116.8	64%	0.636	62%	0.621	S	S	*	*	P	Polyproline II helix	trans	-57.4	145.4	177.1	22.8	-32	0	0	0	109.3	L171	P169-L171 PolarHBondContact O-N 3.25Å
170	P	54.6	Low	53.8	Low	53 Å²	53	116.3 Å²	116.3	34%	0.344	61%	0.611	S	S	.	*			trans	-60.4	111.1	178.8	24.5	-32.1	0	0	0	109	H176 W179	P170-H176 HydrophobicContact CB-CB 3.59Å; P170-H176 HydrophobicContact CG-CB 4.5Å; P170-W179 HydrophobicContact CG-CB 4.42Å; P170-W179 HydrophobicContact CG-CG 4.35Å
171	L	54.6	Low	54.8	Low	93 Å²	93	112.9 Å²	112.9	49%	0.487	60%	0.603	S	S	.	*			trans	-57.6	142.1	168.9	-72.3	156.6	0	0	0	108.1	M168 P169 S173 N174	M168-L171 HydrophobicContact CE-CD1 3.54Å; M168-L171 HydrophobicContact CE-CG 4.26Å; P169-L171 PolarHBondContact O-N 3.25Å; L171-S173 WeakPolarHBondContact CB-OG 3.42Å; L171-S173 PolarHBondContact O-N 2.6Å; L171-N174 PolarHBondContact O-N 2.9Å
172	S	54.4	Low	55.4	Low	137 Å²	137	111 Å²	111	96%	0.958	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.1	-19.8	176.3	52.4	0	0	0	0	113.7
173	S	59.1	Low	56.2	Low	96 Å²	96	108.5 Å²	108.5	67%	0.671	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-22.5	173.3	53.2	0	0	0	0	114	L171	L171-S173 WeakPolarHBondContact CB-OG 3.42Å; L171-S173 PolarHBondContact O-N 2.6Å
174	N	54.3	Low	56.9	Low	99 Å²	99	104 Å²	104	53%	0.529	55%	0.553	S	S	.	*	S	Bend	trans	-88.2	119.6	177.3	-105.3	-22.9	0	0	0	109	L171 H176	L171-N174 PolarHBondContact O-N 2.9Å; N174-H176 PolarHBondContact O-N 2.75Å
175	R	51.8	Low	58.3	Low	235 Å²	235	104.4 Å²	104.4	89%	0.887	55%	0.554	S	S	*	*			trans	-66.9	60.4	170.7	-68.1	-179.8	-179.3	-177.6	-0	110.5	I177	R175-I177 PolarHBondContact O-N 2.63Å
176	H	53.4	Low	59.6	Low	99 Å²	99	103.5 Å²	103.5	46%	0.458	54%	0.536	S	S	.	.			trans	-69.6	83.1	174.5	-126.5	-74.5	0	0	0	107.5	P170 N174 R178 W179	P170-H176 HydrophobicContact CB-CB 3.59Å; P170-H176 HydrophobicContact CG-CB 4.5Å; N174-H176 PolarHBondContact O-N 2.75Å; H176-R178 PolarHBondContact O-N 3.11Å; H176-R178 VanDerWaalsContact O-N 3.1Å; H176-W179 PolarHBondContact O-N 2.88Å
177	I	56.6	Low	60.8	Low	126 Å²	126	107.4 Å²	107.4	65%	0.646	55%	0.547	S	S	*	.	H	α-helix	trans	-50.4	-38.1	-178.2	-73.9	153.5	0	0	0	110.2	R175 W179 D181	R175-I177 PolarHBondContact O-N 2.63Å; I177-W179 VanDerWaalsContact C-N 3.32Å; I177-W179 PolarHBondContact O-N 3.25Å; I177-D181 WeakPolarHBondContact CG2-OD2 3.41Å; I177-D181 VanDerWaalsContact O-CG 3.29Å; I177-D181 PolarHBondContact O-N 2.98Å; I177-D181 VanDerWaalsContact O-OD2 3.14Å
178	R	59.3	Low	62.1	Low	189 Å²	189	108.5 Å²	108.5	71%	0.713	54%	0.539	S	S	*	.	H	α-helix	trans	-61.6	-31.9	-179.3	-119.7	-177.6	162.5	-175.2	-6.8	115	H176 V182	H176-R178 PolarHBondContact O-N 3.11Å; H176-R178 VanDerWaalsContact O-N 3.1Å; R178-V182 VanDerWaalsContact O-CB 3.31Å; R178-V182 WeakPolarHBondContact O-CB 3.38Å; R178-V182 WeakPolarHBondContact O-CG2 3.39Å; R178-V182 PolarHBondContact O-N 3.29Å
179	W	60.2	Low	63.2	Low	97 Å²	97	105.8 Å²	105.8	37%	0.367	53%	0.529	S	S	.	.	H	α-helix	trans	-72.5	-44.7	-173.5	-178.7	-108.4	0	0	0	112	P170 H176 I177 D181 V182 L183 L298	P170-W179 HydrophobicContact CG-CB 4.42Å; P170-W179 HydrophobicContact CG-CG 4.35Å; H176-W179 PolarHBondContact O-N 2.88Å; I177-W179 VanDerWaalsContact C-N 3.32Å; I177-W179 PolarHBondContact O-N 3.25Å; W179-D181 VanDerWaalsContact C-N 3.32Å; W179-V182 PolarHBondContact O-N 3.23Å; W179-L183 HydrophobicContact CD2-CD1 4.39Å; W179-L183 HydrophobicContact CG-CD1 4.36Å; W179-L183 HydrophobicContact CZ2-CD1 4.29Å; W179-L183 HydrophobicContact CZ2-CG 4.47Å; W179-L183 WeakPolarHBondContact O-CB 3.22Å; W179-L183 PolarHBondContact O-N 3.26Å; W179-L298 HydrophobicContact CH2-CB 3.48Å; W179-L298 VanDerWaalsContact CH2-CB 3.48Å; W179-L298 HydrophobicContact CH2-CD1 3.44Å; W179-L298 VanDerWaalsContact CH2-CD1 3.44Å; W179-L298 HydrophobicContact CH2-CD2 4.04Å; W179-L298 HydrophobicContact CH2-CG 3.83Å; W179-L298 HydrophobicContact CZ2-CB 4.42Å; W179-L298 HydrophobicContact CZ2-CD1 3.97Å; W179-L298 HydrophobicContact CZ3-CB 4.18Å; W179-L298 HydrophobicContact CZ3-CD1 4.07Å; W179-L298 HydrophobicContact CZ3-CD2 4Å; W179-L298 HydrophobicContact CZ3-CG 4.31Å
180	I	65.4	Low	64.1	Low	104 Å²	104	103.2 Å²	103.2	53%	0.533	51%	0.512	S	S	.	.	H	α-helix	trans	-63.6	-41.6	175.4	-77.5	160.1	0	0	0	110.3	L183 Q184	I180-L183 PolarHBondContact O-N 3.1Å; I180-Q184 HydrophobicContact CG2-CG 4.47Å; I180-Q184 WeakPolarHBondContact O-CB 3.32Å; I180-Q184 VanDerWaalsContact O-CG 3.28Å; I180-Q184 WeakPolarHBondContact O-CG 3.34Å; I180-Q184 PolarHBondContact O-N 3.27Å
181	D	67.2	Low	65	Low	82 Å²	82	101.8 Å²	101.8	44%	0.439	50%	0.501	S	S	.	.	H	α-helix	trans	-65.1	-43.5	178.1	-64.8	-27.6	0	0	0	112.2	I177 W179 Q184 M185	I177-D181 WeakPolarHBondContact CG2-OD2 3.41Å; I177-D181 VanDerWaalsContact O-CG 3.29Å; I177-D181 PolarHBondContact O-N 2.98Å; I177-D181 VanDerWaalsContact O-OD2 3.14Å; W179-D181 VanDerWaalsContact C-N 3.32Å; D181-Q184 PolarHBondContact O-N 3.29Å; D181-M185 WeakPolarHBondContact O-CB 3.31Å; D181-M185 PolarHBondContact O-N 3.24Å
182	V	66	Low	66.1	Low	45 Å²	45	100.4 Å²	100.4	27%	0.273	50%	0.496	S	S	.	.	H	α-helix	trans	-65.3	-44	177.3	169.8	0	0	0	0	110.8	R178 W179 M185 Y186	R178-V182 VanDerWaalsContact O-CB 3.31Å; R178-V182 WeakPolarHBondContact O-CB 3.38Å; R178-V182 WeakPolarHBondContact O-CG2 3.39Å; R178-V182 PolarHBondContact O-N 3.29Å; W179-V182 PolarHBondContact O-N 3.23Å; V182-M185 PolarHBondContact O-N 2.93Å; V182-Y186 WeakPolarHBondContact O-CB 3.31Å; V182-Y186 PolarHBondContact O-N 3.29Å
183	L	69.4	Low	67.2	Low	67 Å²	67	100.4 Å²	100.4	35%	0.351	48%	0.479	S	S	.	.	H	α-helix	trans	-60.1	-47.7	174.6	-85.1	172	0	0	0	111.6	W179 I180 M185 Y186 E187 L298	W179-L183 HydrophobicContact CD2-CD1 4.39Å; W179-L183 HydrophobicContact CG-CD1 4.36Å; W179-L183 HydrophobicContact CZ2-CD1 4.29Å; W179-L183 HydrophobicContact CZ2-CG 4.47Å; W179-L183 WeakPolarHBondContact O-CB 3.22Å; W179-L183 PolarHBondContact O-N 3.26Å; I180-L183 PolarHBondContact O-N 3.1Å; L183-M185 VanDerWaalsContact C-N 3.33Å; L183-M185 PolarHBondContact O-N 3.36Å; L183-Y186 PolarHBondContact O-N 3.48Å; L183-E187 VanDerWaalsContact O-CB 3.29Å; L183-E187 WeakPolarHBondContact O-CB 3.46Å; L183-E187 PolarHBondContact O-N 3.39Å; L183-L298 HydrophobicContact CD2-CD1 4.42Å
184	Q	73.8	Confident	67.8	Low	94 Å²	94	99.9 Å²	99.9	44%	0.439	47%	0.468	S	S	.	.	H	α-helix	trans	-63.2	-39.2	177.6	-76.8	-177.4	1.5	0	0	112.3	I180 D181 E187 K188	I180-Q184 HydrophobicContact CG2-CG 4.47Å; I180-Q184 WeakPolarHBondContact O-CB 3.32Å; I180-Q184 VanDerWaalsContact O-CG 3.28Å; I180-Q184 WeakPolarHBondContact O-CG 3.34Å; I180-Q184 PolarHBondContact O-N 3.27Å; D181-Q184 PolarHBondContact O-N 3.29Å; Q184-E187 PolarHBondContact O-N 3.19Å; Q184-K188 WeakPolarHBondContact O-CB 3.36Å; Q184-K188 WeakPolarHBondContact O-CG 3.21Å; Q184-K188 PolarHBondContact O-N 2.96Å
185	M	74.9	Confident	68.8	Low	100 Å²	100	98.8 Å²	98.8	49%	0.493	46%	0.462	S	S	.	.	H	α-helix	trans	-63	-46.9	175.8	-168.8	-172	82.2	0	0	110.1	D181 V182 L183 K188 T189	D181-M185 WeakPolarHBondContact O-CB 3.31Å; D181-M185 PolarHBondContact O-N 3.24Å; V182-M185 PolarHBondContact O-N 2.93Å; L183-M185 VanDerWaalsContact C-N 3.33Å; L183-M185 PolarHBondContact O-N 3.36Å; M185-K188 PolarHBondContact O-N 3.5Å; M185-T189 HydrophobicContact CG-CG2 4.12Å; M185-T189 VanDerWaalsContact O-CB 3.26Å; M185-T189 WeakPolarHBondContact O-CB 3.37Å; M185-T189 VanDerWaalsContact O-CG2 3.25Å; M185-T189 WeakPolarHBondContact O-CG2 3.49Å; M185-T189 PolarHBondContact O-N 3.44Å; M185-T189 PolarHBondContact O-OG1 2.97Å
186	Y	71.8	Confident	70	Confident	84 Å²	84	93.8 Å²	93.8	33%	0.329	45%	0.448	S	S	.	.	H	α-helix	trans	-64.4	-42.7	178.5	-161.7	-74.7	0	0	0	111.7	V182 L183 K188 T189 V190 I191 L294	V182-Y186 WeakPolarHBondContact O-CB 3.31Å; V182-Y186 PolarHBondContact O-N 3.29Å; L183-Y186 PolarHBondContact O-N 3.48Å; Y186-K188 PolarHBondContact O-N 2.9Å; Y186-T189 PolarHBondContact O-N 3.17Å; Y186-V190 HydrophobicContact CD1-CB 3.76Å; Y186-V190 HydrophobicContact CD1-CG1 4.34Å; Y186-V190 HydrophobicContact CD1-CG2 4.07Å; Y186-V190 HydrophobicContact CD2-CG2 4.09Å; Y186-V190 HydrophobicContact CE1-CB 3.41Å; Y186-V190 VanDerWaalsContact CE1-CB 3.41Å; Y186-V190 HydrophobicContact CE1-CG1 3.5Å; Y186-V190 VanDerWaalsContact CE1-CG1 3.5Å; Y186-V190 HydrophobicContact CE1-CG2 3.82Å; Y186-V190 HydrophobicContact CE2-CB 4.43Å; Y186-V190 HydrophobicContact CE2-CG2 3.91Å; Y186-V190 HydrophobicContact CG-CB 4.37Å; Y186-V190 HydrophobicContact CG-CG2 4.19Å; Y186-V190 WeakPolarHBondContact O-CA 3.17Å; Y186-V190 WeakPolarHBondContact O-CB 3.39Å; Y186-V190 PolarHBondContact O-N 2.97Å; Y186-I191 HydrophobicContact CD1-CG1 4.17Å; Y186-I191 HydrophobicContact CE1-CG1 4.34Å; Y186-I191 PolarHBondContact O-N 3.45Å; Y186-L294 HydrophobicContact CD1-CD1 3.16Å; Y186-L294 HydrophobicContact CD1-CD2 3.53Å; Y186-L294 HydrophobicContact CD1-CG 3.86Å; Y186-L294 HydrophobicContact CD2-CD2 3.78Å; Y186-L294 HydrophobicContact CE1-CD1 3.09Å; Y186-L294 HydrophobicContact CE1-CD2 3.23Å; Y186-L294 HydrophobicContact CE1-CG 3.51Å; Y186-L294 HydrophobicContact CE2-CD2 3.45Å; Y186-L294 VanDerWaalsContact CE2-CD2 3.45Å; Y186-L294 HydrophobicContact CG-CD1 4.14Å; Y186-L294 HydrophobicContact CG-CD2 3.79Å
187	E	74.7	Confident	70.9	Confident	110 Å²	110	95.6 Å²	95.6	51%	0.514	46%	0.457	S	S	.	.	I	π-helix	trans	-60.6	-47	177.8	-167.5	171.4	-147.6	0	0	111.1	L183 Q184 I191 V192	L183-E187 VanDerWaalsContact O-CB 3.29Å; L183-E187 WeakPolarHBondContact O-CB 3.46Å; L183-E187 PolarHBondContact O-N 3.39Å; Q184-E187 PolarHBondContact O-N 3.19Å; E187-I191 HydrophobicContact CB-CD1 4.41Å; E187-I191 HydrophobicContact CG-CB 4.46Å; E187-I191 HydrophobicContact CG-CD1 4.24Å; E187-I191 WeakPolarHBondContact O-CB 3.47Å; E187-I191 PolarHBondContact O-N 2.95Å; E187-V192 WeakPolarHBondContact O-CG2 3.4Å; E187-V192 PolarHBondContact O-N 2.86Å
188	K	77.5	Confident	71.4	Confident	151 Å²	151	93.5 Å²	93.5	66%	0.657	46%	0.458	S	S	*	.	I	π-helix	trans	-68.8	-42.1	176.9	-78	179.3	177.5	171.3	0	113.9	Q184 M185 Y186	Q184-K188 WeakPolarHBondContact O-CB 3.36Å; Q184-K188 WeakPolarHBondContact O-CG 3.21Å; Q184-K188 PolarHBondContact O-N 2.96Å; M185-K188 PolarHBondContact O-N 3.5Å; Y186-K188 PolarHBondContact O-N 2.9Å
189	T	76.1	Confident	71.7	Confident	63 Å²	63	91.9 Å²	91.9	39%	0.387	46%	0.459	S	S	.	.	I	π-helix	trans	-86.9	-33.2	-170.1	57.4	0	0	0	0	112.9	M185 Y186 K193	M185-T189 HydrophobicContact CG-CG2 4.12Å; M185-T189 VanDerWaalsContact O-CB 3.26Å; M185-T189 WeakPolarHBondContact O-CB 3.37Å; M185-T189 VanDerWaalsContact O-CG2 3.25Å; M185-T189 WeakPolarHBondContact O-CG2 3.49Å; M185-T189 PolarHBondContact O-N 3.44Å; M185-T189 PolarHBondContact O-OG1 2.97Å; Y186-T189 PolarHBondContact O-N 3.17Å; T189-K193 WeakPolarHBondContact O-CD 3.27Å; T189-K193 WeakPolarHBondContact O-CG 3.45Å
190	V	71.8	Confident	71.1	Confident	44 Å²	44	92.1 Å²	92.1	27%	0.267	47%	0.471	S	S	.	.	I	π-helix	trans	-110.8	-58.5	-174.2	-174.7	0	0	0	0	111	Y186 V192 K193 L194	Y186-V190 HydrophobicContact CD1-CB 3.76Å; Y186-V190 HydrophobicContact CD1-CG1 4.34Å; Y186-V190 HydrophobicContact CD1-CG2 4.07Å; Y186-V190 HydrophobicContact CD2-CG2 4.09Å; Y186-V190 HydrophobicContact CE1-CB 3.41Å; Y186-V190 VanDerWaalsContact CE1-CB 3.41Å; Y186-V190 HydrophobicContact CE1-CG1 3.5Å; Y186-V190 VanDerWaalsContact CE1-CG1 3.5Å; Y186-V190 HydrophobicContact CE1-CG2 3.82Å; Y186-V190 HydrophobicContact CE2-CB 4.43Å; Y186-V190 HydrophobicContact CE2-CG2 3.91Å; Y186-V190 HydrophobicContact CG-CB 4.37Å; Y186-V190 HydrophobicContact CG-CG2 4.19Å; Y186-V190 WeakPolarHBondContact O-CA 3.17Å; Y186-V190 WeakPolarHBondContact O-CB 3.39Å; Y186-V190 PolarHBondContact O-N 2.97Å; V190-V192 PolarHBondContact O-N 3Å; V190-K193 PolarHBondContact O-N 3.16Å; V190-L194 HydrophobicContact CG1-CD1 3.7Å; V190-L194 HydrophobicContact CG1-CG 4.38Å; V190-L194 WeakPolarHBondContact O-CB 3.22Å; V190-L194 WeakPolarHBondContact O-CG 3.24Å; V190-L194 PolarHBondContact O-N 2.92Å
191	I	72.3	Confident	70.1	Confident	22 Å²	22	92 Å²	92	11%	0.113	48%	0.477	C	S	.	.	I	π-helix	trans	-63.8	-48.4	-172.8	-59	-175.8	0	0	0	111.2	Y186 E187 K193 L194 N195 P290 L294	Y186-I191 HydrophobicContact CD1-CG1 4.17Å; Y186-I191 HydrophobicContact CE1-CG1 4.34Å; Y186-I191 PolarHBondContact O-N 3.45Å; E187-I191 HydrophobicContact CB-CD1 4.41Å; E187-I191 HydrophobicContact CG-CB 4.46Å; E187-I191 HydrophobicContact CG-CD1 4.24Å; E187-I191 WeakPolarHBondContact O-CB 3.47Å; E187-I191 PolarHBondContact O-N 2.95Å; I191-K193 VanDerWaalsContact C-N 3.3Å; I191-K193 PolarHBondContact O-N 3.15Å; I191-L194 PolarHBondContact O-N 3.35Å; I191-N195 WeakPolarHBondContact O-CB 3.3Å; I191-N195 PolarHBondContact O-N 3.03Å; I191-P290 HydrophobicContact CG1-CB 4.38Å; I191-L294 HydrophobicContact CD1-CD1 3.69Å; I191-L294 HydrophobicContact CG1-CD1 4.06Å
192	V	78.2	Confident	68.8	Low	64 Å²	64	92.8 Å²	92.8	39%	0.388	50%	0.496	S	S	.	.	H	α-helix	trans	-59.6	-42	178.7	171.4	0	0	0	0	111	E187 V190 N195 H196	E187-V192 WeakPolarHBondContact O-CG2 3.4Å; E187-V192 PolarHBondContact O-N 2.86Å; V190-V192 PolarHBondContact O-N 3Å; V192-N195 PolarHBondContact O-N 3.45Å; V192-H196 PolarHBondContact O-N 2.99Å; V192-H196 VanDerWaalsContact O-N 3.07Å; V192-H196 PolarHBondContact O-ND1 3.29Å
193	K	77	Confident	67.8	Low	137 Å²	137	97.5 Å²	97.5	60%	0.596	52%	0.519	S	S	*	.	H	α-helix	trans	-65.9	-43.9	178.4	-70.8	-167.7	-173	173.2	0	112.5	T189 V190 I191 N195 H196 Q197	T189-K193 WeakPolarHBondContact O-CD 3.27Å; T189-K193 WeakPolarHBondContact O-CG 3.45Å; V190-K193 PolarHBondContact O-N 3.16Å; I191-K193 VanDerWaalsContact C-N 3.3Å; I191-K193 PolarHBondContact O-N 3.15Å; K193-N195 VanDerWaalsContact C-N 3.34Å; K193-N195 PolarHBondContact O-N 3.48Å; K193-H196 PolarHBondContact O-N 3.34Å; K193-Q197 WeakPolarHBondContact O-CG 3.34Å; K193-Q197 PolarHBondContact O-N 3.45Å; K193-Q197 VanDerWaalsContact O-N 3.11Å
194	L	73.2	Confident	66.1	Low	85 Å²	85	100.3 Å²	100.3	45%	0.445	54%	0.539	S	S	.	.	H	α-helix	trans	-63.3	-40.4	177.4	-72.2	171.6	0	0	0	111.5	V190 I191 H196 Q197 A198	V190-L194 HydrophobicContact CG1-CD1 3.7Å; V190-L194 HydrophobicContact CG1-CG 4.38Å; V190-L194 WeakPolarHBondContact O-CB 3.22Å; V190-L194 WeakPolarHBondContact O-CG 3.24Å; V190-L194 PolarHBondContact O-N 2.92Å; I191-L194 PolarHBondContact O-N 3.35Å; L194-H196 PolarHBondContact O-N 3.34Å; L194-Q197 PolarHBondContact O-N 3.04Å; L194-A198 WeakPolarHBondContact O-CB 3.49Å; L194-A198 PolarHBondContact O-N 3.03Å
195	N	75.4	Confident	64.6	Low	76 Å²	76	101.4 Å²	101.4	41%	0.406	56%	0.557	S	S	.	*	H	α-helix	trans	-65.6	-37.8	176.4	-80.5	-17.6	0	0	0	112.8	I191 V192 K193 Q197 A198 Q199	I191-N195 WeakPolarHBondContact O-CB 3.3Å; I191-N195 PolarHBondContact O-N 3.03Å; V192-N195 PolarHBondContact O-N 3.45Å; K193-N195 VanDerWaalsContact C-N 3.34Å; K193-N195 PolarHBondContact O-N 3.48Å; N195-Q197 VanDerWaalsContact C-N 3.33Å; N195-A198 PolarHBondContact O-N 2.97Å; N195-Q199 WeakPolarHBondContact O-CG 3.38Å; N195-Q199 PolarHBondContact O-N 3.25Å; N195-Q199 VanDerWaalsContact O-N 3.13Å
196	H	76.8	Confident	62.8	Low	130 Å²	130	105.1 Å²	105.1	60%	0.602	57%	0.573	S	S	*	*	H	α-helix	trans	-65	-37.8	174.6	-77.8	72.8	0	0	0	111.8	V192 K193 L194 T200	V192-H196 PolarHBondContact O-N 2.99Å; V192-H196 VanDerWaalsContact O-N 3.07Å; V192-H196 PolarHBondContact O-ND1 3.29Å; K193-H196 PolarHBondContact O-N 3.34Å; L194-H196 PolarHBondContact O-N 3.34Å; H196-T200 PolarHBondContact O-N 2.92Å
197	Q	71.1	Confident	61	Low	137 Å²	137	108 Å²	108	64%	0.64	60%	0.6	S	S	*	*	H	α-helix	trans	-70	-33.7	176	-71.6	175.8	-11.7	0	0	112.7	K193 L194 N195 T200	K193-Q197 WeakPolarHBondContact O-CG 3.34Å; K193-Q197 PolarHBondContact O-N 3.45Å; K193-Q197 VanDerWaalsContact O-N 3.11Å; L194-Q197 PolarHBondContact O-N 3.04Å; N195-Q197 VanDerWaalsContact C-N 3.33Å; Q197-T200 PolarHBondContact O-OG1 3.38Å
198	A	67.5	Low	58.7	Low	82 Å²	82	111.6 Å²	111.6	68%	0.678	61%	0.614	S	S	*	*	H	α-helix	trans	-74.1	-25.4	177.6	0	0	0	0	0	113.4	L194 N195	L194-A198 WeakPolarHBondContact O-CB 3.49Å; L194-A198 PolarHBondContact O-N 3.03Å; N195-A198 PolarHBondContact O-N 2.97Å
199	Q	66.2	Low	56.6	Low	156 Å²	156	110 Å²	110	73%	0.729	62%	0.619	S	S	*	*	H	α-helix	trans	-90.5	-8.7	-179.1	-71.1	177.5	31.1	0	0	114.1	N195 P201	N195-Q199 WeakPolarHBondContact O-CG 3.38Å; N195-Q199 PolarHBondContact O-N 3.25Å; N195-Q199 VanDerWaalsContact O-N 3.13Å; Q199-P201 WeakPolarHBondContact O-CD 3.32Å
200	T	47.3	Very low	54.5	Low	101 Å²	101	115.9 Å²	115.9	62%	0.62	64%	0.639	S	S	*	*	S	Bend	trans	-77.4	109.6	172	37.2	0	0	0	0	110.3	H196 Q197 A202	H196-T200 PolarHBondContact O-N 2.92Å; Q197-T200 PolarHBondContact O-OG1 3.38Å; T200-A202 PolarHBondContact O-N 2.94Å
201	P	44.6	Very low	52.9	Low	101 Å²	101	118.7 Å²	118.7	66%	0.656	66%	0.66	S	S	*	*			trans	-65.2	129.3	173	27.2	-32.3	0	0	0	109	Q199 N203	Q199-P201 WeakPolarHBondContact O-CD 3.32Å; P201-N203 VanDerWaalsContact C-N 3.29Å; P201-N203 PolarHBondContact O-N 3Å
202	A	39.1	Very low	51.2	Low	100 Å²	100	126.5 Å²	126.5	83%	0.826	70%	0.697	S	S	*	*			trans	-64.4	92.2	167.7	0	0	0	0	0	108.6	T200	T200-A202 PolarHBondContact O-N 2.94Å
203	N	44.5	Very low	49.2	Very low	144 Å²	144	129 Å²	129	77%	0.77	71%	0.712	S	S	*	*			trans	-90.3	114.9	166.6	-77.9	-16.3	0	0	0	108.9	P201	P201-N203 VanDerWaalsContact C-N 3.29Å; P201-N203 PolarHBondContact O-N 3Å
204	T	34.9	Very low	47.1	Very low	125 Å²	125	131.7 Å²	131.7	77%	0.767	73%	0.727	S	S	*	*			trans	-54.5	131.3	175.9	21.3	0	0	0	0	113.4
205	S	41.9	Very low	45.1	Very low	117 Å²	117	131.8 Å²	131.8	82%	0.818	75%	0.748	S	S	*	*			trans	-147.8	104.1	142.1	62.1	0	0	0	0	108.4
206	E	36.2	Very low	43.1	Very low	179 Å²	179	136.3 Å²	136.3	84%	0.836	77%	0.767	S	S	*	*			trans	-66.7	137.2	177.2	-59.4	174.1	143.3	0	0	110.6
207	T	34.6	Very low	41	Very low	143 Å²	143	139.6 Å²	139.6	88%	0.877	78%	0.78	S	S	*	*			trans	-146.9	113.5	151.6	-43.8	0	0	0	0	108.1
208	K	27.4	Very low	39.3	Very low	186 Å²	186	139 Å²	139	81%	0.809	78%	0.781	S	S	*	*			trans	-110.3	139.9	-175.1	-169.9	-178.9	-173.4	178.8	0	109.4
209	P	31.6	Very low	37.8	Very low	118 Å²	118	142.2 Å²	142.2	77%	0.766	79%	0.787	S	S	*	*			trans	-136.8	115.6	134.6	29.7	-13.5	0	0	0	110.8
210	K	32.7	Very low	36.6	Very low	187 Å²	187	139.3 Å²	139.3	81%	0.813	79%	0.789	S	S	*	*				66.3	103.1	90.3	-80.2	-168.3	177.9	-177.3	0	115.6
211	S	37.9	Very low	36.2	Very low	102 Å²	102	142.2 Å²	142.2	71%	0.713	80%	0.801	S	S	*	*			trans	155.2	107	132.3	60	0	0	0	0	109.5
212	E	36.7	Very low	35.7	Very low	187 Å²	187	142.5 Å²	142.5	87%	0.874	81%	0.805	S	S	*	*				68.9	123.1	99.3	-66.6	170.5	-157.7	0	0	111.6
213	T	37	Very low	35.6	Very low	116 Å²	116	140.7 Å²	140.7	71%	0.712	80%	0.796	S	S	*	*			cis	-169.9	135.1	39.2	-39.5	0	0	0	0	111.1
214	E	31.6	Very low	35.2	Very low	193 Å²	193	145.2 Å²	145.2	90%	0.902	80%	0.802	S	S	*	*			trans	29.7	138.8	143.4	-51.8	174.6	177	0	0	125.3
215	G	32.8	Very low	35.3	Very low	87 Å²	87	146.3 Å²	146.3	90%	0.897	81%	0.809	S	S	*	*			trans	167.2	103.5	159	0	0	0	0	0	114
216	E	32.4	Very low	34.9	Very low	172 Å²	172	145.3 Å²	145.3	80%	0.804	81%	0.808	S	S	*	*			trans	-108.5	141.4	-169	-177.6	177.9	-164.4	0	0	112.8
217	F	33.8	Very low	34.8	Very low	198 Å²	198	144 Å²	144	87%	0.868	81%	0.811	S	S	*	*			trans	-166.2	134.6	150.7	-136.9	-95.2	0	0	0	112.5
218	N	34	Very low	34.5	Very low	124 Å²	124	144.5 Å²	144.5	66%	0.663	81%	0.809	S	S	*	*			trans	-118.6	159.3	-177.6	-68.8	-50.3	0	0	0	111.4
219	D	37.4	Very low	34.9	Very low	150 Å²	150	144 Å²	144	80%	0.802	81%	0.813	S	S	*	*			trans	171.6	110.6	146.5	-83.8	-27.9	0	0	0	110.7
220	A	40.9	Very low	34.9	Very low	95 Å²	95	148.2 Å²	148.2	79%	0.785	82%	0.819	S	S	*	*				70.1	100.4	90.6	0	0	0	0	0	116.2
221	D	37.3	Very low	35	Very low	163 Å²	163	143.4 Å²	143.4	87%	0.872	81%	0.814	S	S	*	*				84	126.4	91.1	-168.5	31.5	0	0	0	117.6
222	C	34.9	Very low	34.8	Very low	107 Å²	107	145 Å²	145	72%	0.723	82%	0.815	S	S	*	*			trans	-178.1	120.9	145.3	-172.8	0	0	0	0	112.2
223	G	36.3	Very low	34.6	Very low	62 Å²	62	144.6 Å²	144.6	64%	0.639	81%	0.807	S	S	*	*			trans	-109.6	167.3	175	0	0	0	0	0	115.4
224	R	37.9	Very low	34.4	Very low	238 Å²	238	148.2 Å²	148.2	90%	0.898	81%	0.813	S	S	*	*			trans	-153.3	149.4	161.3	-76.1	-162.3	175.6	89.1	1.2	113.1
225	T	36.3	Very low	34.4	Very low	149 Å²	149	144.7 Å²	144.7	91%	0.914	80%	0.804	S	S	*	*			trans	-98.5	165.3	-161.4	47.7	0	0	0	0	116.4
226	A	33	Very low	34.5	Very low	96 Å²	96	150.1 Å²	150.1	79%	0.793	81%	0.806	S	S	*	*			trans	-93.8	164.2	-175.7	0	0	0	0	0	116.1
227	V	34.4	Very low	34.4	Very low	151 Å²	151	150.3 Å²	150.3	92%	0.915	81%	0.807	S	S	*	*			trans	-150	137.6	161.2	-171	0	0	0	0	111.9
228	D	29.1	Very low	34.4	Very low	154 Å²	154	146 Å²	146	82%	0.824	80%	0.802	S	S	*	*			trans	-86.4	155.8	-174.4	-68.2	-59.2	0	0	0	116.8
229	I	34.4	Very low	34.3	Very low	175 Å²	175	148.7 Å²	148.7	90%	0.897	81%	0.808	S	S	*	*			trans	-143	133.7	156.7	-58.2	-178.3	0	0	0	110.9
230	K	32.1	Very low	34.1	Very low	206 Å²	206	147.8 Å²	147.8	90%	0.896	80%	0.803	S	S	*	*			trans	-119.5	147.9	179.1	-92.6	179.4	174.8	173.7	0	112.3
231	A	34.3	Very low	33.9	Very low	86 Å²	86	148.4 Å²	148.4	71%	0.711	80%	0.801	S	S	*	*			trans	162.9	120.8	143.5	0	0	0	0	0	109.7
232	N	33.9	Very low	33.6	Very low	136 Å²	136	147.3 Å²	147.3	73%	0.727	80%	0.795	S	S	*	*				60.2	130.1	69.9	-141.2	10	0	0	0	112.7
233	Y	32	Very low	33.8	Very low	178 Å²	178	149.7 Å²	149.7	70%	0.698	80%	0.801	S	S	*	*			cis	-177.6	155.5	42.6	12.9	-105.2	0	0	0	113.1
234	K	34.2	Very low	33.8	Very low	193 Å²	193	152.5 Å²	152.5	84%	0.839	81%	0.805	S	S	*	*			trans	65	119.7	145.4	-70.8	176.7	175.5	-176.9	0	121.2
235	T	31.4	Very low	33.6	Very low	118 Å²	118	149 Å²	149	72%	0.724	80%	0.797	S	S	*	*				84.7	109.2	71.2	-54.2	0	0	0	0	113.7
236	E	33.9	Very low	33.4	Very low	201 Å²	201	150.5 Å²	150.5	94%	0.939	79%	0.79	S	S	*	*			trans	-150.1	144.4	148.3	-64.4	-163.2	177.6	0	0	110.9
237	E	30.8	Very low	33.4	Very low	177 Å²	177	154.7 Å²	154.7	83%	0.827	79%	0.793	S	S	*	*			trans	-101	172.6	-163.1	-63.3	173.9	136.7	0	0	114.4
238	S	33.5	Very low	33.1	Very low	108 Å²	108	158.8 Å²	158.8	76%	0.755	79%	0.794	S	S	*	*			trans	96.4	117.2	140.3	80.3	0	0	0	0	119.8
239	F	31.9	Very low	33.4	Very low	179 Å²	179	158.6 Å²	158.6	79%	0.785	79%	0.793	S	S	*	*				172	107.1	119.1	-129.9	-110.5	0	0	0	109.2
240	L	33.9	Very low	33.6	Very low	132 Å²	132	154.5 Å²	154.5	69%	0.691	78%	0.78	S	S	*	*				59.6	132.1	102.8	-80.8	144.9	0	0	0	114.2
241	S	36.8	Very low	33.9	Very low	107 Å²	107	151.6 Å²	151.6	75%	0.748	77%	0.774	S	S	*	*			cis	-170.8	169.8	21.1	40.9	0	0	0	0	112.2
242	D	31.3	Very low	34.1	Very low	141 Å²	141	154.6 Å²	154.6	75%	0.754	78%	0.778	S	S	*	*			trans	-68.5	178.7	-169.2	-56.5	-74	0	0	0	119.2
243	D	38.4	Very low	34.4	Very low	157 Å²	157	153 Å²	153	84%	0.84	78%	0.778	S	S	*	*			trans	117.7	125.3	157.8	-68	-29.8	0	0	0	113.7
244	V	35.7	Very low	34.7	Very low	120 Å²	120	151.5 Å²	151.5	73%	0.727	78%	0.782	S	S	*	*			cis	-167.9	123.8	24.6	142.6	0	0	0	0	106.8
245	K	34.5	Very low	34.7	Very low	166 Å²	166	150 Å²	150	72%	0.722	78%	0.777	S	S	*	*				75.3	104.6	100.9	-134.3	170.3	-177.3	176.2	0	115.4
246	K	32.6	Very low	35	Very low	180 Å²	180	149.9 Å²	149.9	78%	0.783	78%	0.777	S	S	*	*				92	120.1	98.3	-80.3	-169.5	-172.6	-170.2	0	115.1
247	E	32.4	Very low	35	Very low	184 Å²	184	146.9 Å²	146.9	86%	0.86	77%	0.767	S	S	*	*				178	118.6	124.7	-101.3	174	-172.4	0	0	110.1
248	Y	28	Very low	35.1	Very low	237 Å²	237	145.4 Å²	145.4	93%	0.929	76%	0.763	S	S	*	*			trans	-156.3	120.3	159.7	-95.2	-77.1	0	0	0	107.9
249	D	35.3	Very low	35.1	Very low	150 Å²	150	149.8 Å²	149.8	80%	0.802	77%	0.769	S	S	*	*			trans	-111.9	120	167.8	-90.5	-25.2	0	0	0	106.3
250	S	38.8	Very low	35.1	Very low	89 Å²	89	148.5 Å²	148.5	62%	0.622	77%	0.769	S	S	*	*				54.8	128.8	104.7	70.9	0	0	0	0	113.2
251	D	37.9	Very low	35	Very low	144 Å²	144	147 Å²	147	77%	0.77	77%	0.769	S	S	*	*			cis	-163.4	152.3	12.2	-78.3	-43.2	0	0	0	105.8
252	D	38.6	Very low	34.7	Very low	149 Å²	149	146.4 Å²	146.4	80%	0.797	77%	0.771	S	S	*	*				167.9	111.2	126.9	-99.9	-21.9	0	0	0	111.2
253	S	40.6	Very low	34.9	Very low	104 Å²	104	147.3 Å²	147.3	73%	0.727	78%	0.775	S	S	*	*			trans	-66.3	122.2	162.9	45.8	0	0	0	0	110.8
254	N	39.2	Very low	34.5	Very low	145 Å²	145	149 Å²	149	78%	0.775	78%	0.775	S	S	*	*			trans	-147.3	97	152.9	-86.1	-46.8	0	0	0	109.9	T256	N254-T256 PolarHBondContact O-N 2.89Å
255	H	33.4	Very low	34.5	Very low	161 Å²	161	149.2 Å²	149.2	75%	0.745	78%	0.776	S	S	*	*			trans	-71.4	116.3	165.9	-171.1	-73.5	0	0	0	107.9	D257	H255-D257 IonicContact CE1-OD1 2.61Å; H255-D257 PolarHBondContact CE1-OD1 2.8Å; H255-D257 VanDerWaalsContact CE1-OD1 3.23Å; H255-D257 IonicContact CE1-OD2 3.23Å; H255-D257 IonicContact ND1-OD1 3.02Å; H255-D257 IonicContact ND1-OD2 2.85Å
256	T	37.8	Very low	34.4	Very low	116 Å²	116	149.5 Å²	149.5	71%	0.712	78%	0.78	S	S	*	*			trans	-128.9	121.9	164.2	48.7	0	0	0	0	109.2	N254 I258	N254-T256 PolarHBondContact O-N 2.89Å; T256-I258 PolarHBondContact O-N 3.45Å
257	D	33.7	Very low	34.5	Very low	138 Å²	138	148.2 Å²	148.2	74%	0.738	78%	0.782	S	S	*	*			trans	-64.2	115.5	179.3	-65	-68	0	0	0	111	H255 K259	H255-D257 IonicContact CE1-OD1 2.61Å; H255-D257 PolarHBondContact CE1-OD1 2.8Å; H255-D257 VanDerWaalsContact CE1-OD1 3.23Å; H255-D257 IonicContact CE1-OD2 3.23Å; H255-D257 IonicContact ND1-OD1 3.02Å; H255-D257 IonicContact ND1-OD2 2.85Å; D257-K259 PolarHBondContact O-N 3.29Å
258	I	33.7	Very low	34.7	Very low	146 Å²	146	145.3 Å²	145.3	75%	0.749	78%	0.782	S	S	*	*			trans	-90.7	101	169.3	-59.5	179.2	0	0	0	108.3	T256 I260	T256-I258 PolarHBondContact O-N 3.45Å; I258-I260 HydrophobicContact CG2-CG1 4Å; I258-I260 PolarHBondContact O-N 2.9Å
259	K	32.6	Very low	35	Very low	200 Å²	200	138.8 Å²	138.8	87%	0.87	77%	0.77	S	S	*	*			trans	-76.5	99.7	168.7	-167.1	175	-173.8	178.7	0	108.7	D257 S261	D257-K259 PolarHBondContact O-N 3.29Å; K259-S261 PolarHBondContact O-N 2.96Å
260	I	32.4	Very low	35	Very low	152 Å²	152	137.6 Å²	137.6	78%	0.779	77%	0.77	S	S	*	*			trans	-79.9	100.2	171.6	-58.6	178.2	0	0	0	108.2	I258 A262	I258-I260 HydrophobicContact CG2-CG1 4Å; I258-I260 PolarHBondContact O-N 2.9Å; I260-A262 PolarHBondContact O-N 3.49Å
261	S	32.2	Very low	34.8	Very low	100 Å²	100	139.6 Å²	139.6	70%	0.699	78%	0.779	S	S	*	*			trans	-76.9	110.2	163.6	39.1	0	0	0	0	109.3	K259 L263	K259-S261 PolarHBondContact O-N 2.96Å; S261-L263 PolarHBondContact O-N 3.03Å
262	A	30.6	Very low	34.7	Very low	96 Å²	96	139 Å²	139	79%	0.793	78%	0.781	S	S	*	*			trans	-68.4	107.7	172.4	0	0	0	0	0	110.2	I260	I260-A262 PolarHBondContact O-N 3.49Å
263	L	33.9	Very low	34.8	Very low	159 Å²	159	141.2 Å²	141.2	83%	0.832	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-84	122.1	163.1	-83.9	162.6	0	0	0	108.1	S261 V265	S261-L263 PolarHBondContact O-N 3.03Å; L263-V265 PolarHBondContact O-N 3.36Å
264	K	29.8	Very low	34.5	Very low	192 Å²	192	142 Å²	142	84%	0.835	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-65.1	116.9	176.1	-66.1	175.5	177	-179.4	0	108.9
265	V	35.8	Very low	34.3	Very low	126 Å²	126	142.7 Å²	142.7	76%	0.764	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-99.6	120.6	161.2	179.8	0	0	0	0	106	L263 D267	L263-V265 PolarHBondContact O-N 3.36Å; V265-D267 PolarHBondContact O-N 3.24Å
266	E	32.5	Very low	34.3	Very low	171 Å²	171	137.5 Å²	137.5	80%	0.799	78%	0.782	S	S	*	*			trans	-84.5	95	179.9	-54.5	-150.5	168	0	0	108.7	S268	E266-S268 PolarHBondContact O-N 3.42Å
267	D	35.2	Very low	34.5	Very low	153 Å²	153	138.3 Å²	138.3	82%	0.818	78%	0.781	S	S	*	*			trans	-73.3	112.5	168.3	-88.6	-25.3	0	0	0	109.5	V265	V265-D267 PolarHBondContact O-N 3.24Å
268	S	37.7	Very low	35.3	Very low	124 Å²	124	136.6 Å²	136.6	87%	0.867	78%	0.78	S	S	*	*			trans	-101.2	85.2	169.8	47.5	0	0	0	0	109	E266	E266-S268 PolarHBondContact O-N 3.42Å
269	C	32.6	Very low	36	Very low	100 Å²	100	135 Å²	135	68%	0.676	78%	0.78	S	S	*	*			trans	-143.2	128.2	161.9	-172	0	0	0	0	108.8	T271	C269-T271 PolarHBondContact O-N 2.84Å
270	P	35.6	Very low	36.8	Very low	125 Å²	125	132.4 Å²	132.4	81%	0.812	77%	0.771	S	S	*	*			trans	-71.6	100.8	-169.2	27.5	-33.1	0	0	0	111.1
271	T	35.9	Very low	37.3	Very low	131 Å²	131	132.5 Å²	132.5	80%	0.804	77%	0.773	S	S	*	*			trans	-81.7	116.8	169.8	-26.6	0	0	0	0	109.6	C269 K273	C269-T271 PolarHBondContact O-N 2.84Å; T271-K273 PolarHBondContact O-N 2.96Å
272	T	36	Very low	37.9	Very low	132 Å²	132	134.2 Å²	134.2	81%	0.81	78%	0.779	S	S	*	*			trans	-65.4	113.9	168.8	42.6	0	0	0	0	109.1	S274	T272-S274 PolarHBondContact O-N 3.42Å; T272-S274 VanDerWaalsContact O-N 3.15Å
273	K	39.3	Very low	38.4	Very low	194 Å²	194	134.5 Å²	134.5	84%	0.843	78%	0.782	S	S	*	*			trans	-70.7	109.2	174.3	-69.2	-178.2	-179.3	176.9	0	109	T271 L275	T271-K273 PolarHBondContact O-N 2.96Å; K273-L275 PolarHBondContact O-N 3.48Å
274	S	34.1	Very low	38.7	Very low	121 Å²	121	130.8 Å²	130.8	85%	0.846	78%	0.782	S	S	*	*			trans	-60.3	111.4	161.9	170.9	0	0	0	0	108.9	T272 G276	T272-S274 PolarHBondContact O-N 3.42Å; T272-S274 VanDerWaalsContact O-N 3.15Å; S274-G276 PolarHBondContact O-N 2.95Å
275	L	35.3	Very low	39.4	Very low	160 Å²	160	127 Å²	127	84%	0.838	79%	0.786	S	S	*	*			trans	-85.6	92.6	173.7	-77.3	163.3	0	0	0	108.4	K273	K273-L275 PolarHBondContact O-N 3.48Å
276	G	33.9	Very low	39.8	Very low	52 Å²	52	124.2 Å²	124.2	54%	0.536	77%	0.771	S	S	.	*			trans	-76.5	135.6	166.1	0	0	0	0	0	111	S274 S278	S274-G276 PolarHBondContact O-N 2.95Å; G276-S278 PolarHBondContact O-N 3.1Å
277	L	42.8	Very low	40.6	Very low	133 Å²	133	120.6 Å²	120.6	70%	0.696	78%	0.78	S	S	*	*	G	3₁₀ helix	trans	-67.1	11.7	-175.5	-78	95.6	0	0	0	115.9	C279 Q280	L277-C279 PolarHBondContact O-N 3.38Å; L277-C279 VanDerWaalsContact O-N 3.12Å; L277-Q280 PolarHBondContact O-N 3.34Å
278	S	48.6	Very low	41.6	Very low	101 Å²	101	116.4 Å²	116.4	71%	0.706	76%	0.757	S	S	*	*	G	3₁₀ helix	trans	-69.8	-12.1	-176.1	84	0	0	0	0	114.1	G276 Q280	G276-S278 PolarHBondContact O-N 3.1Å; S278-Q280 PolarHBondContact O-N 3.43Å
279	C	48.8	Very low	42.4	Very low	112 Å²	112	113.2 Å²	113.2	76%	0.757	74%	0.735	S	S	*	*	G	3₁₀ helix	trans	-73.3	-6.4	178.1	62	0	0	0	0	115	L277	L277-C279 PolarHBondContact O-N 3.38Å; L277-C279 VanDerWaalsContact O-N 3.12Å
280	Q	50.6	Low	43.7	Very low	146 Å²	146	111.2 Å²	111.2	68%	0.682	72%	0.72	S	S	*	*	G	3₁₀ helix	trans	-97.3	5.2	-176.8	-77.4	170.8	-7.2	0	0	114.9	L277 S278 T282	L277-Q280 PolarHBondContact O-N 3.34Å; S278-Q280 PolarHBondContact O-N 3.43Å; Q280-T282 PolarHBondContact O-N 3.44Å
281	L	41.5	Very low	44.8	Very low	155 Å²	155	108 Å²	108	81%	0.812	70%	0.704	S	S	*	*			trans	-80	114.1	179.9	-67.8	171.6	0	0	0	111.5
282	T	44.9	Very low	46.2	Very low	135 Å²	135	104.2 Å²	104.2	83%	0.828	68%	0.681	S	S	*	*			trans	-64.9	139.3	174.4	46.9	0	0	0	0	111.7	Q280	Q280-T282 PolarHBondContact O-N 3.44Å
283	A	42.1	Very low	47.6	Very low	103 Å²	103	103 Å²	103	85%	0.851	67%	0.665	S	S	*	*	S	Bend	trans	-54.5	145.1	-179.1	0	0	0	0	0	114.3
284	G	40.2	Very low	48.6	Very low	81 Å²	81	94.5 Å²	94.5	84%	0.835	63%	0.628	S	S	*	*			trans	81.9	86	154	0	0	0	0	0	116.4
285	A	43.3	Very low	49.7	Very low	111 Å²	111	94.5 Å²	94.5	92%	0.917	62%	0.615	S	S	*	*	S	Bend	trans	-121.4	-4.9	159.4	0	0	0	0	0	113.4
286	C	46	Very low	51	Low	69 Å²	69	93.2 Å²	93.2	47%	0.466	60%	0.599	S	S	.	*			trans	-151.6	101.2	-170.9	166.8	0	0	0	0	107.4	I288	C286-I288 PolarHBondContact O-N 3.44Å; C286-I288 VanDerWaalsContact SG-CB 3.53Å; C286-I288 WeakPolarHBondContact SG-CD1 3.36Å; C286-I288 WeakPolarHBondContact SG-CG1 3.27Å
287	G	48.6	Very low	52.3	Low	95 Å²	95	93.1 Å²	93.1	98%	0.979	59%	0.589	S	S	*	*			trans	-65.9	28	-179.9	0	0	0	0	0	114.8
288	I	55.1	Low	53.1	Low	65 Å²	65	89.6 Å²	89.6	33%	0.333	57%	0.571	S	S	.	*	S	Bend	trans	-89.3	131.3	177.1	-59.9	-178	0	0	0	107	C286 V292 F293	C286-I288 PolarHBondContact O-N 3.44Å; C286-I288 VanDerWaalsContact SG-CB 3.53Å; C286-I288 WeakPolarHBondContact SG-CD1 3.36Å; C286-I288 WeakPolarHBondContact SG-CG1 3.27Å; I288-V292 HydrophobicContact CG2-CB 3.47Å; I288-V292 VanDerWaalsContact CG2-CB 3.47Å; I288-V292 HydrophobicContact CG2-CG1 3.41Å; I288-V292 VanDerWaalsContact CG2-CG1 3.41Å; I288-F293 HydrophobicContact CG2-CB 4.11Å
289	S	55.6	Low	53.6	Low	57 Å²	57	91.2 Å²	91.2	40%	0.399	57%	0.571	S	S	.	*			trans	-57.9	145.4	175.8	90.5	0	0	0	0	109.5	A291 V292 F293	S289-A291 PolarHBondContact O-N 2.88Å; S289-A291 VanDerWaalsContact O-N 3.09Å; S289-V292 PolarHBondContact O-N 3.21Å; S289-V292 WeakPolarHBondContact OG-CG2 3.41Å; S289-V292 PolarHBondContact OG-N 3.47Å; S289-V292 VanDerWaalsContact OG-N 3.14Å; S289-F293 PolarHBondContact O-N 2.95Å
290	P	58.7	Low	54	Low	58 Å²	58	92.4 Å²	92.4	38%	0.377	57%	0.565	S	S	.	*	H	α-helix	trans	-52.3	-36.3	178.7	-28.2	34.7	0	0	0	112.9	I191 F293 L294	I191-P290 HydrophobicContact CG1-CB 4.38Å; P290-F293 PolarHBondContact O-N 3.41Å; P290-L294 WeakPolarHBondContact O-CB 3.44Å; P290-L294 VanDerWaalsContact O-CD1 3.27Å; P290-L294 WeakPolarHBondContact O-CD1 3.13Å; P290-L294 WeakPolarHBondContact O-CG 3.38Å; P290-L294 PolarHBondContact O-N 3.13Å
291	A	59.9	Low	53.9	Low	56 Å²	56	88.5 Å²	88.5	46%	0.463	55%	0.554	S	S	.	*	H	α-helix	trans	-62.4	-45.9	174.4	0	0	0	0	0	112.2	S289 L294 E295	S289-A291 PolarHBondContact O-N 2.88Å; S289-A291 VanDerWaalsContact O-N 3.09Å; A291-L294 PolarHBondContact O-N 2.92Å; A291-E295 VanDerWaalsContact O-CB 3.31Å; A291-E295 WeakPolarHBondContact O-CB 3.33Å; A291-E295 PolarHBondContact O-N 3.39Å
292	V	65.5	Low	54	Low	53 Å²	53	91.2 Å²	91.2	32%	0.321	55%	0.554	S	S	.	*	H	α-helix	trans	-70.6	-33.8	177.9	177.8	0	0	0	0	111.3	I288 S289 R296	I288-V292 HydrophobicContact CG2-CB 3.47Å; I288-V292 VanDerWaalsContact CG2-CB 3.47Å; I288-V292 HydrophobicContact CG2-CG1 3.41Å; I288-V292 VanDerWaalsContact CG2-CG1 3.41Å; S289-V292 PolarHBondContact O-N 3.21Å; S289-V292 WeakPolarHBondContact OG-CG2 3.41Å; S289-V292 PolarHBondContact OG-N 3.47Å; S289-V292 VanDerWaalsContact OG-N 3.14Å; V292-R296 WeakPolarHBondContact O-CB 3.37Å; V292-R296 PolarHBondContact O-N 3.32Å
293	F	64.5	Low	53.8	Low	107 Å²	107	89.4 Å²	89.4	47%	0.469	55%	0.545	S	S	.	.	H	α-helix	trans	-64.8	-44.6	174.9	176.9	-99.9	0	0	0	110.7	I288 S289 P290 R296 C297	I288-F293 HydrophobicContact CG2-CB 4.11Å; S289-F293 PolarHBondContact O-N 2.95Å; P290-F293 PolarHBondContact O-N 3.41Å; F293-R296 CarbonylContact O-C 3.58Å; F293-R296 PolarHBondContact O-N 2.87Å; F293-C297 WeakPolarHBondContact CE1-SG 3.38Å; F293-C297 WeakPolarHBondContact CZ-SG 3.42Å; F293-C297 WeakPolarHBondContact O-CB 3.5Å; F293-C297 PolarHBondContact O-N 2.98Å; F293-C297 PolarHBondContact O-SG 3.39Å; F293-C297 VanDerWaalsContact O-SG 3.35Å
294	L	59.7	Low	53.6	Low	15 Å²	15	88 Å²	88	8%	0.079	54%	0.54	C	S	.	.	H	α-helix	trans	-62.7	-46.9	174.2	-82.9	155.7	0	0	0	113	Y186 I191 P290 A291 R296 C297 L298	Y186-L294 HydrophobicContact CD1-CD1 3.16Å; Y186-L294 HydrophobicContact CD1-CD2 3.53Å; Y186-L294 HydrophobicContact CD1-CG 3.86Å; Y186-L294 HydrophobicContact CD2-CD2 3.78Å; Y186-L294 HydrophobicContact CE1-CD1 3.09Å; Y186-L294 HydrophobicContact CE1-CD2 3.23Å; Y186-L294 HydrophobicContact CE1-CG 3.51Å; Y186-L294 HydrophobicContact CE2-CD2 3.45Å; Y186-L294 VanDerWaalsContact CE2-CD2 3.45Å; Y186-L294 HydrophobicContact CG-CD1 4.14Å; Y186-L294 HydrophobicContact CG-CD2 3.79Å; I191-L294 HydrophobicContact CD1-CD1 3.69Å; I191-L294 HydrophobicContact CG1-CD1 4.06Å; P290-L294 WeakPolarHBondContact O-CB 3.44Å; P290-L294 VanDerWaalsContact O-CD1 3.27Å; P290-L294 WeakPolarHBondContact O-CD1 3.13Å; P290-L294 WeakPolarHBondContact O-CG 3.38Å; P290-L294 PolarHBondContact O-N 3.13Å; A291-L294 PolarHBondContact O-N 2.92Å; L294-R296 PolarHBondContact O-N 3.37Å; L294-C297 PolarHBondContact O-N 3.43Å; L294-L298 WeakPolarHBondContact O-CB 3.3Å; L294-L298 WeakPolarHBondContact O-CD1 3.47Å; L294-L298 VanDerWaalsContact O-CG 3.23Å; L294-L298 WeakPolarHBondContact O-CG 3.44Å; L294-L298 PolarHBondContact O-N 3.11Å
295	E	58.6	Low	53.7	Low	120 Å²	120	90.6 Å²	90.6	56%	0.561	53%	0.534	S	S	*	.	H	α-helix	trans	-59.2	-42	178.3	-161.3	174.7	-149.4	0	0	109.7	A291 L299	A291-E295 VanDerWaalsContact O-CB 3.31Å; A291-E295 WeakPolarHBondContact O-CB 3.33Å; A291-E295 PolarHBondContact O-N 3.39Å; E295-L299 HydrophobicContact CG-CD1 4.2Å; E295-L299 VanDerWaalsContact O-CB 3.24Å; E295-L299 WeakPolarHBondContact O-CB 3.32Å; E295-L299 WeakPolarHBondContact O-CD1 3.48Å; E295-L299 VanDerWaalsContact O-CG 3.23Å; E295-L299 WeakPolarHBondContact O-CG 3.35Å; E295-L299 PolarHBondContact O-N 3.03Å
296	R	62.7	Low	53.6	Low	134 Å²	134	94.8 Å²	94.8	51%	0.506	53%	0.533	S	S	.	.	H	α-helix	trans	-65.6	-45.9	171.5	-103.6	174	162.6	106.5	-5.3	113.5	V292 F293 L294 L298 L299 E300	V292-R296 WeakPolarHBondContact O-CB 3.37Å; V292-R296 PolarHBondContact O-N 3.32Å; F293-R296 CarbonylContact O-C 3.58Å; F293-R296 PolarHBondContact O-N 2.87Å; L294-R296 PolarHBondContact O-N 3.37Å; R296-L298 VanDerWaalsContact C-N 3.26Å; R296-L298 PolarHBondContact O-N 2.95Å; R296-L299 CarbonylContact O-C 3.57Å; R296-L299 PolarHBondContact O-N 3.42Å; R296-E300 WeakPolarHBondContact O-CB 3.42Å; R296-E300 WeakPolarHBondContact O-CG 3.49Å; R296-E300 PolarHBondContact O-N 2.9Å
297	C	59.7	Low	53.4	Low	50 Å²	50	101.5 Å²	101.5	34%	0.338	56%	0.56	S	S	.	*	H	α-helix	trans	-62.6	-35.8	179	-78.2	0	0	0	0	111.8	F293 L294 S301	F293-C297 WeakPolarHBondContact CE1-SG 3.38Å; F293-C297 WeakPolarHBondContact CZ-SG 3.42Å; F293-C297 WeakPolarHBondContact O-CB 3.5Å; F293-C297 PolarHBondContact O-N 2.98Å; F293-C297 PolarHBondContact O-SG 3.39Å; F293-C297 VanDerWaalsContact O-SG 3.35Å; L294-C297 PolarHBondContact O-N 3.43Å; C297-S301 WeakPolarHBondContact O-CA 3.42Å; C297-S301 WeakPolarHBondContact O-CB 3.33Å; C297-S301 PolarHBondContact O-N 2.88Å; C297-S301 PolarHBondContact O-OG 3.42Å
298	L	60.1	Low	53.6	Low	59 Å²	59	101.9 Å²	101.9	31%	0.309	54%	0.539	S	S	.	.	H	α-helix	trans	-80.2	-27.1	177.1	-61.7	156.8	0	0	0	112.5	W179 L183 L294 R296 S301	W179-L298 HydrophobicContact CH2-CB 3.48Å; W179-L298 VanDerWaalsContact CH2-CB 3.48Å; W179-L298 HydrophobicContact CH2-CD1 3.44Å; W179-L298 VanDerWaalsContact CH2-CD1 3.44Å; W179-L298 HydrophobicContact CH2-CD2 4.04Å; W179-L298 HydrophobicContact CH2-CG 3.83Å; W179-L298 HydrophobicContact CZ2-CB 4.42Å; W179-L298 HydrophobicContact CZ2-CD1 3.97Å; W179-L298 HydrophobicContact CZ3-CB 4.18Å; W179-L298 HydrophobicContact CZ3-CD1 4.07Å; W179-L298 HydrophobicContact CZ3-CD2 4Å; W179-L298 HydrophobicContact CZ3-CG 4.31Å; L183-L298 HydrophobicContact CD2-CD1 4.42Å; L294-L298 WeakPolarHBondContact O-CB 3.3Å; L294-L298 WeakPolarHBondContact O-CD1 3.47Å; L294-L298 VanDerWaalsContact O-CG 3.23Å; L294-L298 WeakPolarHBondContact O-CG 3.44Å; L294-L298 PolarHBondContact O-N 3.11Å; R296-L298 VanDerWaalsContact C-N 3.26Å; R296-L298 PolarHBondContact O-N 2.95Å; L298-S301 WeakPolarHBondContact CA-OG 3.48Å; L298-S301 PolarHBondContact O-OG 3.02Å
299	L	60	Low	53.6	Low	135 Å²	135	103.8 Å²	103.8	71%	0.707	55%	0.549	S	S	*	.	H	α-helix	trans	-73.3	-36.9	169.3	-82.2	161.1	0	0	0	112.1	E295 R296	E295-L299 HydrophobicContact CG-CD1 4.2Å; E295-L299 VanDerWaalsContact O-CB 3.24Å; E295-L299 WeakPolarHBondContact O-CB 3.32Å; E295-L299 WeakPolarHBondContact O-CD1 3.48Å; E295-L299 VanDerWaalsContact O-CG 3.23Å; E295-L299 WeakPolarHBondContact O-CG 3.35Å; E295-L299 PolarHBondContact O-N 3.03Å; R296-L299 CarbonylContact O-C 3.57Å; R296-L299 PolarHBondContact O-N 3.42Å
300	E	56.5	Low	53.5	Low	136 Å²	136	106.4 Å²	106.4	64%	0.636	56%	0.558	S	S	*	*	H	α-helix	trans	-92.2	-3.8	-179.2	-73.4	-176.7	178.4	0	0	113.2	R296 R302	R296-E300 WeakPolarHBondContact O-CB 3.42Å; R296-E300 WeakPolarHBondContact O-CG 3.49Å; R296-E300 PolarHBondContact O-N 2.9Å; E300-R302 PolarHBondContact O-N 2.95Å
301	S	48.8	Very low	53.1	Low	65 Å²	65	109.2 Å²	109.2	46%	0.455	57%	0.568	S	S	.	*			trans	-68.7	69	174.2	56.9	0	0	0	0	110.3	C297 L298 C303	C297-S301 WeakPolarHBondContact O-CA 3.42Å; C297-S301 WeakPolarHBondContact O-CB 3.33Å; C297-S301 PolarHBondContact O-N 2.88Å; C297-S301 PolarHBondContact O-OG 3.42Å; L298-S301 WeakPolarHBondContact CA-OG 3.48Å; L298-S301 PolarHBondContact O-OG 3.02Å; S301-C303 PolarHBondContact O-N 3.11Å
302	R	42.6	Very low	52.7	Low	212 Å²	212	112.6 Å²	112.6	80%	0.8	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	3.1	167.3	-80.7	-176.3	161.4	-179.5	-4.8	112.5	E300	E300-R302 PolarHBondContact O-N 2.95Å
303	C	41.5	Very low	51.9	Low	97 Å²	97	116.5 Å²	116.5	66%	0.655	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.4	-4.9	-166.1	-52.2	0	0	0	0	114.6	S301 L305	S301-C303 PolarHBondContact O-N 3.11Å; C303-L305 HydrophobicContact CB-CB 4Å; C303-L305 WeakPolarHBondContact O-CB 3.4Å; C303-L305 PolarHBondContact O-N 3.13Å
304	G	38.8	Very low	51	Low	72 Å²	72	117.2 Å²	117.2	74%	0.742	60%	0.601	S	S	*	*			trans	53.7	17.1	-177.3	0	0	0	0	0	113.9
305	L	41.8	Very low	50.3	Low	136 Å²	136	125.1 Å²	125.1	71%	0.712	64%	0.641	S	S	*	*			trans	-108.4	38.2	-165.1	-147.1	104.8	0	0	0	110.9	C303	C303-L305 HydrophobicContact CB-CB 4Å; C303-L305 WeakPolarHBondContact O-CB 3.4Å; C303-L305 PolarHBondContact O-N 3.13Å
306	F	41.2	Very low	49.6	Very low	200 Å²	200	125.5 Å²	125.5	88%	0.877	65%	0.648	S	S	*	*			trans	-155.5	80.6	170.5	-88.1	-75.4	0	0	0	109.2
307	M	41.5	Very low	48.4	Very low	210 Å²	210	124.7 Å²	124.7	100%	1.034	66%	0.66	S	S	*	*			trans	-176.6	0	150.5	-89.5	-93.2	-74.4	0	0	106.1

Retrieved 307 of 307 residues in 507.6 ms (Link to these results)

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