A0A077Z3X8_TRITR Loading...

tRNA modification GTPase GTPBP3

AlphaFold DB , UniProt , Accession A0A077Z3X8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 454 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	44.7	Very low	80.2	Confident	181 Å²	181	65.2 Å²	65.2	89%	0.892	37%	0.368	S	S	*	.				0	148.7	0	-73.1	164.8	-171.8	0	0	106.5	D3	M1-D3 PolarHBondContact O-N 2.77Å
2	S	46.7	Very low	81.1	Confident	80 Å²	80	62.5 Å²	62.5	56%	0.559	36%	0.355	S	S	*	.			trans	-72.9	120.6	173	62.3	0	0	0	0	107.2	N4 D5	S2-N4 PolarHBondContact O-N 2.84Å; S2-D5 PolarHBondContact O-N 2.88Å
3	D	56.2	Low	81.5	Confident	158 Å²	158	66.2 Å²	66.2	85%	0.845	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-0.2	176.5	-77.7	-20.8	0	0	0	114.7	M1	M1-D3 PolarHBondContact O-N 2.77Å
4	N	72.7	Confident	81.6	Confident	132 Å²	132	67.7 Å²	67.7	71%	0.706	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.6	17.4	-175.2	-81	-14.3	0	0	0	114.3	S2	S2-N4 PolarHBondContact O-N 2.84Å
5	D	88.5	Confident	81.8	Confident	25 Å²	25	66 Å²	66	13%	0.134	40%	0.398	C	S	.	.			trans	-74.9	149.5	173.2	67.1	15.7	0	0	0	112.3	S2 R104 R114	S2-D5 PolarHBondContact O-N 2.88Å; D5-R104 IonicContact OD1-NH2 2.61Å; D5-R104 PolarHBondContact OD1-NH2 2.86Å; D5-R104 IonicContact OD2-CZ 3.02Å; D5-R104 IonicContact OD2-NE 3.79Å; D5-R104 PolarHBondContact OD2-NE 3.1Å; D5-R104 IonicContact OD2-NH2 3.66Å; D5-R104 PolarHBondContact OD2-NH2 3.25Å; D5-R114 PolarHBondContact O-NH1 2.88Å; D5-R114 IonicContact OD1-CZ 2.77Å; D5-R114 IonicContact OD1-NH1 2.7Å; D5-R114 IonicContact OD1-NH2 2.63Å; D5-R114 PolarHBondContact OD1-NH2 3.17Å
6	T	96.8	Very high	82.2	Confident	0 Å²	0	76.8 Å²	76.8	0%	0	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	126.9	176.5	-61.7	0	0	0	0	108.5	I24 S25 F27 K28 G102 L103 R104	T6-I24 HydrophobicContact CG2-CG2 3.47Å; T6-I24 VanDerWaalsContact CG2-CG2 3.47Å; T6-S25 CarbonylContact C-O 3.5Å; T6-S25 WeakPolarHBondContact CA-O 3.3Å; T6-S25 WeakPolarHBondContact CG2-O 3.29Å; T6-F27 PolarHBondContact OG1-N 2.8Å; T6-K28 HydrophobicContact CG2-CB 4.06Å; T6-K28 WeakPolarHBondContact OG1-CB 3.24Å; T6-K28 PolarHBondContact OG1-N 2.88Å; T6-G102 PolarHBondContact N-O 2.76Å; T6-L103 HydrophobicContact CG2-CD2 4.32Å; T6-L103 HydrophobicContact CG2-CG 4.07Å; T6-L103 VanDerWaalsContact O-CA 3.28Å; T6-L103 WeakPolarHBondContact O-CA 3.07Å; T6-R104 PolarHBondContact O-N 2.76Å; T6-R104 VanDerWaalsContact O-N 3.11Å
7	I	97.3	Very high	82.6	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	150.4	-177.8	52.7	168.6	0	0	0	112.1	I24 S25 R104 A106 E110 F111	I7-I24 CarbonylContact O-C 3.56Å; I7-I24 WeakPolarHBondContact O-CA 3.1Å; I7-S25 PolarHBondContact N-O 3.4Å; I7-S25 PolarHBondContact O-N 2.85Å; I7-R104 CarbonylContact C-O 3.56Å; I7-R104 WeakPolarHBondContact CA-O 3.4Å; I7-R104 HydrophobicContact CG2-CG 4.12Å; I7-R104 VanDerWaalsContact CG2-CZ 3.5Å; I7-R104 VanDerWaalsContact CG2-NH1 3.33Å; I7-A106 HydrophobicContact CB-CB 3.89Å; I7-A106 HydrophobicContact CD1-CB 3.9Å; I7-A106 HydrophobicContact CG1-CB 4.4Å; I7-A106 HydrophobicContact CG2-CB 4.33Å; I7-E110 HydrophobicContact CD1-CB 4.23Å; I7-E110 HydrophobicContact CD1-CG 3.96Å; I7-E110 WeakPolarHBondContact CG2-OE1 3.25Å; I7-F111 HydrophobicContact CD1-CD1 3.99Å; I7-F111 HydrophobicContact CD1-CD2 4.19Å; I7-F111 HydrophobicContact CD1-CE1 3.86Å; I7-F111 HydrophobicContact CD1-CE2 4.04Å; I7-F111 HydrophobicContact CD1-CG 4.15Å; I7-F111 HydrophobicContact CD1-CZ 3.88Å; I7-F111 HydrophobicContact CG1-CE1 4.04Å; I7-F111 HydrophobicContact CG1-CZ 4.04Å
8	V	97.9	Very high	83	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	139.1	170.5	55.9	0	0	0	0	110.7	R23 I24 L94 I97 L98 R104 I105 A106	V8-R23 VanDerWaalsContact CA-O 3.27Å; V8-R23 WeakPolarHBondContact CA-O 3.31Å; V8-I24 HydrophobicContact CB-CG1 4.05Å; V8-I24 HydrophobicContact CG2-CD1 4.38Å; V8-I24 HydrophobicContact CG2-CG1 3.86Å; V8-L94 HydrophobicContact CB-CD1 4.26Å; V8-L94 HydrophobicContact CG1-CD1 3.6Å; V8-L94 HydrophobicContact CG2-CD1 3.68Å; V8-I97 HydrophobicContact CB-CG2 4.17Å; V8-I97 HydrophobicContact CG1-CG2 4.02Å; V8-I97 HydrophobicContact CG2-CD1 4.22Å; V8-I97 HydrophobicContact CG2-CG2 4.17Å; V8-L98 HydrophobicContact CG1-CD2 3.85Å; V8-L98 HydrophobicContact CG1-CG 4.37Å; V8-R104 WeakPolarHBondContact CG1-O 3.49Å; V8-R104 PolarHBondContact N-O 3.47Å; V8-I105 CarbonylContact O-C 3.51Å; V8-I105 VanDerWaalsContact O-CA 3.31Å; V8-I105 WeakPolarHBondContact O-CA 3.34Å; V8-A106 PolarHBondContact O-N 2.82Å
9	A	95.8	Very high	83.6	Confident	22 Å²	22	74.9 Å²	74.9	18%	0.182	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	165.9	165.9	0	0	0	0	0	111.5	A11 L22 R23 A106 F111	A9-A11 PolarHBondContact O-N 2.63Å; A9-L22 WeakPolarHBondContact O-CA 3.26Å; A9-R23 PolarHBondContact N-O 3.49Å; A9-R23 PolarHBondContact O-N 2.87Å; A9-A106 HydrophobicContact CB-CB 3.9Å; A9-F111 HydrophobicContact CB-CE2 3.77Å; A9-F111 HydrophobicContact CB-CZ 4.41Å
10	Q	94.3	Very high	84.2	Confident	69 Å²	69	71.2 Å²	71.2	32%	0.322	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	124.9	166.2	-166.9	-174.9	-7.8	0	0	109.4	T12 P13 I21 L22 L90	Q10-T12 WeakPolarHBondContact CG-O 3.12Å; Q10-T12 WeakPolarHBondContact CG-OG1 3.24Å; Q10-T12 PolarHBondContact NE2-O 2.66Å; Q10-T12 PolarHBondContact NE2-OG1 2.86Å; Q10-P13 PolarHBondContact NE2-O 3.02Å; Q10-I21 CarbonylContact C-O 3.5Å; Q10-I21 VanDerWaalsContact CA-O 3.29Å; Q10-I21 WeakPolarHBondContact CA-O 3.33Å; Q10-L22 HydrophobicContact CB-CD2 4.17Å; Q10-L90 HydrophobicContact CG-CD1 4.14Å
11	A	91.2	Very high	84.8	Confident	50 Å²	50	69.3 Å²	69.3	41%	0.413	41%	0.414	S	S	.	.			trans	-95.6	-2	179.8	0	0	0	0	0	113.3	A9 I21 R23	A9-A11 PolarHBondContact O-N 2.63Å; A11-I21 HydrophobicContact CB-CB 4.27Å; A11-I21 HydrophobicContact CB-CG2 4.15Å; A11-I21 PolarHBondContact N-O 3.14Å; A11-R23 HydrophobicContact CB-CB 4.04Å
12	T	90.9	Very high	87.3	Confident	33 Å²	33	60.8 Å²	60.8	20%	0.202	37%	0.372	C	S	.	.	S	Bend	trans	-107.1	156	171.7	54.5	0	0	0	0	110.1	Q10 I21	Q10-T12 WeakPolarHBondContact CG-O 3.12Å; Q10-T12 WeakPolarHBondContact CG-OG1 3.24Å; Q10-T12 PolarHBondContact NE2-O 2.66Å; Q10-T12 PolarHBondContact NE2-OG1 2.86Å; T12-I21 HydrophobicContact CG2-CB 3.94Å; T12-I21 HydrophobicContact CG2-CD1 4.04Å; T12-I21 HydrophobicContact CG2-CG1 3.71Å; T12-I21 PolarHBondContact OG1-N 2.87Å
13	P	86.1	Confident	89.8	Confident	111 Å²	111	59.9 Å²	59.9	72%	0.721	36%	0.356	S	S	*	.			trans	-52.7	143.3	173.3	-26.1	34.5	0	0	0	112.5	Q10	Q10-P13 PolarHBondContact NE2-O 3.02Å
14	P	83.2	Confident	91.8	Very high	87 Å²	87	52.3 Å²	52.3	57%	0.565	32%	0.316	S	S	*	.	S	Bend	trans	-64.1	142.3	172.3	28.6	-34	0	0	0	109.7
15	G	84.5	Confident	93	Very high	42 Å²	42	46 Å²	46	43%	0.433	28%	0.283	S	S	.	.	S	Bend	trans	144.3	-167.7	-177.8	0	0	0	0	0	111.8
16	R	89.3	Confident	93.3	Very high	238 Å²	238	44.9 Å²	44.9	90%	0.898	28%	0.277	S	S	*	.			trans	-98.1	119	172.8	-67.6	-179.1	-179.6	174.6	0.1	108.5	G85	R16-G85 WeakPolarHBondContact CA-O 3.21Å
17	G	87.5	Confident	93.2	Very high	43 Å²	43	53.1 Å²	53.1	44%	0.443	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	163.5	175.7	0	0	0	0	0	111.6	V19 G85	G17-V19 PolarHBondContact O-N 3.04Å; G17-G85 PolarHBondContact N-O 3.31Å; G17-G85 CarbonylContact O-C 3.5Å; G17-G85 WeakPolarHBondContact O-CA 3.16Å; G17-G85 PolarHBondContact O-N 3.36Å
18	G	90.7	Very high	93.1	Very high	69 Å²	69	55.4 Å²	55.4	71%	0.711	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.4	-31.9	171.4	0	0	0	0	0	112.1
19	V	94	Very high	93.1	Very high	84 Å²	84	55.4 Å²	55.4	51%	0.509	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	138.4	178.8	-179.3	0	0	0	0	109.9	G17 I21 Q82 G83	G17-V19 PolarHBondContact O-N 3.04Å; V19-I21 HydrophobicContact CG1-CG1 4.15Å; V19-Q82 HydrophobicContact CG1-CB 4.19Å; V19-G83 CarbonylContact C-O 3.57Å; V19-G83 VanDerWaalsContact CA-O 3.3Å; V19-G83 WeakPolarHBondContact CA-O 3.28Å
20	G	95.5	Very high	93.2	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	136.9	166.9	0	0	0	0	0	109.6	Q82 G83	G20-Q82 WeakPolarHBondContact O-CA 3.34Å; G20-G83 PolarHBondContact N-O 3.25Å; G20-G83 PolarHBondContact O-N 2.9Å
21	I	96.8	Very high	93.3	Very high	32 Å²	32	60.3 Å²	60.3	16%	0.164	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	123.1	-176.8	-54.3	178.4	0	0	0	108.8	Q10 A11 T12 V19 E80 L81 Q82	Q10-I21 CarbonylContact C-O 3.5Å; Q10-I21 VanDerWaalsContact CA-O 3.29Å; Q10-I21 WeakPolarHBondContact CA-O 3.33Å; A11-I21 HydrophobicContact CB-CB 4.27Å; A11-I21 HydrophobicContact CB-CG2 4.15Å; A11-I21 PolarHBondContact N-O 3.14Å; T12-I21 HydrophobicContact CG2-CB 3.94Å; T12-I21 HydrophobicContact CG2-CD1 4.04Å; T12-I21 HydrophobicContact CG2-CG1 3.71Å; T12-I21 PolarHBondContact OG1-N 2.87Å; V19-I21 HydrophobicContact CG1-CG1 4.15Å; I21-E80 HydrophobicContact CG2-CB 4.13Å; I21-E80 HydrophobicContact CG2-CG 4.28Å; I21-L81 WeakPolarHBondContact CA-O 3.36Å; I21-Q82 HydrophobicContact CD1-CG 4.28Å; I21-Q82 HydrophobicContact CG1-CB 4.32Å; I21-Q82 HydrophobicContact CG1-CG 3.95Å; I21-Q82 HydrophobicContact CG2-CG 4.22Å
22	L	97.5	Very high	93.6	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.01	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	121.6	162.5	-69.4	175	0	0	0	108.4	A9 Q10 E80 L81 L90 L93 L94 I97	A9-L22 WeakPolarHBondContact O-CA 3.26Å; Q10-L22 HydrophobicContact CB-CD2 4.17Å; L22-E80 WeakPolarHBondContact O-CA 3.17Å; L22-L81 HydrophobicContact CB-CB 4.43Å; L22-L81 PolarHBondContact N-O 2.87Å; L22-L81 PolarHBondContact O-N 2.79Å; L22-L90 HydrophobicContact CG-CD2 4.27Å; L22-L93 HydrophobicContact CD1-CB 3.49Å; L22-L93 VanDerWaalsContact CD1-CB 3.49Å; L22-L93 HydrophobicContact CD1-CD1 4.43Å; L22-L94 HydrophobicContact CD1-CB 4.42Å; L22-I97 HydrophobicContact CD1-CD1 3.91Å
23	R	98.2	Very high	93.9	Very high	60 Å²	60	56.3 Å²	56.3	23%	0.226	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	132.7	176	-174.6	178.5	-72.6	167.1	-0.6	109.1	V8 A9 A11 V78 E80 F111	V8-R23 VanDerWaalsContact CA-O 3.27Å; V8-R23 WeakPolarHBondContact CA-O 3.31Å; A9-R23 PolarHBondContact N-O 3.49Å; A9-R23 PolarHBondContact O-N 2.87Å; A11-R23 HydrophobicContact CB-CB 4.04Å; R23-V78 HydrophobicContact CG-CG1 3.89Å; R23-E80 HydrophobicContact CB-CG 4.4Å; R23-E80 HydrophobicContact CG-CG 4.18Å; R23-E80 IonicContact CZ-OE1 2.83Å; R23-E80 IonicContact NE-OE1 3.67Å; R23-E80 PolarHBondContact NE-OE1 2.82Å; R23-E80 IonicContact NH2-OE1 2.65Å; R23-E80 PolarHBondContact NH2-OE1 2.81Å; R23-F111 HydrophobicContact CB-CE1 4.14Å; R23-F111 HydrophobicContact CB-CZ 4.17Å; R23-F111 HydrophobicContact CG-CD1 4.07Å; R23-F111 HydrophobicContact CG-CE1 3.62Å; R23-F111 HydrophobicContact CG-CZ 4.17Å; R23-F111 WeakPolarHBondContact O-CZ 3.36Å
24	I	98.4	Very high	94.4	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	133.7	175.6	-55.4	83.3	0	0	0	107.7	T6 I7 V8 A29 V32 V78 L79 L81 I97 L103	T6-I24 HydrophobicContact CG2-CG2 3.47Å; T6-I24 VanDerWaalsContact CG2-CG2 3.47Å; I7-I24 CarbonylContact O-C 3.56Å; I7-I24 WeakPolarHBondContact O-CA 3.1Å; V8-I24 HydrophobicContact CB-CG1 4.05Å; V8-I24 HydrophobicContact CG2-CD1 4.38Å; V8-I24 HydrophobicContact CG2-CG1 3.86Å; I24-A29 HydrophobicContact CG2-CB 3.99Å; I24-V32 HydrophobicContact CD1-CG1 4.5Å; I24-V32 HydrophobicContact CG1-CG1 4.36Å; I24-V32 HydrophobicContact CG2-CG2 4.2Å; I24-V78 CarbonylContact O-C 3.51Å; I24-V78 WeakPolarHBondContact O-CA 3.38Å; I24-V78 WeakPolarHBondContact O-CG1 3.25Å; I24-L79 HydrophobicContact CB-CB 4.3Å; I24-L79 HydrophobicContact CD1-CB 4.36Å; I24-L79 HydrophobicContact CD1-CD2 4.23Å; I24-L79 HydrophobicContact CD1-CG 4.37Å; I24-L79 WeakPolarHBondContact CD1-O 3.47Å; I24-L79 PolarHBondContact N-O 2.7Å; I24-L79 PolarHBondContact O-N 2.96Å; I24-L81 HydrophobicContact CD1-CD1 4.38Å; I24-L81 HydrophobicContact CD1-CG 4.18Å; I24-I97 HydrophobicContact CD1-CD1 4.23Å; I24-I97 HydrophobicContact CG1-CG2 4.39Å; I24-L103 HydrophobicContact CG2-CD2 4.41Å
25	S	98	Very high	95	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	131.6	176.4	-171.1	0	0	0	0	110.8	T6 I7 T74 E76 D77	T6-S25 CarbonylContact C-O 3.5Å; T6-S25 WeakPolarHBondContact CA-O 3.3Å; T6-S25 WeakPolarHBondContact CG2-O 3.29Å; I7-S25 PolarHBondContact N-O 3.4Å; I7-S25 PolarHBondContact O-N 2.85Å; S25-T74 WeakPolarHBondContact OG-CB 3.42Å; S25-T74 WeakPolarHBondContact OG-CG2 3.45Å; S25-T74 PolarHBondContact OG-OG1 3.01Å; S25-E76 WeakPolarHBondContact CB-OE2 3.25Å; S25-E76 PolarHBondContact OG-OE2 3.41Å; S25-D77 WeakPolarHBondContact CA-O 3.46Å
26	G	96.4	Very high	95.7	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.01	26%	0.264	C	S	.	.	S	Bend	trans	129.2	178.2	175.4	0	0	0	0	0	113.5	K28 A29 E76 D77	G26-K28 PolarHBondContact O-N 3.43Å; G26-A29 VanDerWaalsContact O-CB 3.26Å; G26-A29 WeakPolarHBondContact O-CB 3.2Å; G26-A29 PolarHBondContact O-N 3.46Å; G26-E76 PolarHBondContact N-OE2 2.91Å; G26-D77 PolarHBondContact N-O 3.09Å
27	F	94.1	Very high	96.1	Very high	172 Å²	172	41.5 Å²	41.5	75%	0.754	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-28.6	-170.8	-170.4	-100.5	0	0	0	114.9	T6	T6-F27 PolarHBondContact OG1-N 2.8Å
28	K	95.7	Very high	96.4	Very high	48 Å²	48	42.1 Å²	42.1	21%	0.209	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	1	179.5	-63.1	-177.5	155.1	-103.7	0	114	T6 G26 R30 E31 V32 P101 L103	T6-K28 HydrophobicContact CG2-CB 4.06Å; T6-K28 WeakPolarHBondContact OG1-CB 3.24Å; T6-K28 PolarHBondContact OG1-N 2.88Å; G26-K28 PolarHBondContact O-N 3.43Å; K28-R30 PolarHBondContact O-N 3.22Å; K28-E31 HydrophobicContact CB-CB 4.37Å; K28-E31 IonicContact NZ-OE1 3.94Å; K28-E31 IonicContact NZ-OE2 2.75Å; K28-E31 PolarHBondContact NZ-OE2 2.97Å; K28-E31 WeakPolarHBondContact O-CA 3.39Å; K28-E31 WeakPolarHBondContact O-CB 3.3Å; K28-E31 PolarHBondContact O-N 2.84Å; K28-V32 WeakPolarHBondContact O-CG2 3.41Å; K28-V32 PolarHBondContact O-N 3.05Å; K28-P101 WeakPolarHBondContact CD-O 3.43Å; K28-P101 WeakPolarHBondContact CE-O 3.31Å; K28-P101 PolarHBondContact NZ-O 2.79Å; K28-L103 HydrophobicContact CB-CD1 3.75Å; K28-L103 HydrophobicContact CD-CD1 3.68Å; K28-L103 HydrophobicContact CG-CD1 4.37Å
29	A	97.1	Very high	96.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-58.3	-33.8	179.3	0	0	0	0	0	112.2	I24 G26 V32 A33 W66 D77 L79	I24-A29 HydrophobicContact CG2-CB 3.99Å; G26-A29 VanDerWaalsContact O-CB 3.26Å; G26-A29 WeakPolarHBondContact O-CB 3.2Å; G26-A29 PolarHBondContact O-N 3.46Å; A29-V32 PolarHBondContact O-N 2.95Å; A29-A33 PolarHBondContact O-N 3.27Å; A29-A33 VanDerWaalsContact O-N 3.09Å; A29-W66 HydrophobicContact CB-CH2 4.11Å; A29-W66 HydrophobicContact CB-CZ3 3.68Å; A29-D77 HydrophobicContact CB-CB 4.38Å; A29-D77 WeakPolarHBondContact CB-O 3.29Å; A29-L79 HydrophobicContact CB-CB 4.3Å
30	R	96.7	Very high	96.9	Very high	122 Å²	122	42 Å²	42	46%	0.46	21%	0.205	S	C	.	.	H	α-helix	trans	-64.2	-45.1	170.9	178.5	179.8	-61	-172.8	3.7	112.7	K28 V32 A33 E34 L40 W66	K28-R30 PolarHBondContact O-N 3.22Å; R30-V32 VanDerWaalsContact C-N 3.27Å; R30-V32 PolarHBondContact O-N 3.05Å; R30-A33 WeakPolarHBondContact O-CB 3.49Å; R30-A33 PolarHBondContact O-N 2.96Å; R30-A33 VanDerWaalsContact O-N 3.1Å; R30-E34 PolarHBondContact O-N 3.46Å; R30-L40 HydrophobicContact CB-CD1 4.38Å; R30-L40 HydrophobicContact CG-CD1 4.12Å; R30-L40 HydrophobicContact CG-CD2 4.1Å; R30-W66 HydrophobicContact CB-CH2 4.12Å
31	E	96.8	Very high	96.9	Very high	72 Å²	72	42.2 Å²	42.2	34%	0.336	21%	0.206	S	C	.	.	H	α-helix	trans	-60.3	-39.6	177.8	-173.6	-178.6	173	0	0	110.7	K28 E34 T35 I100	K28-E31 HydrophobicContact CB-CB 4.37Å; K28-E31 IonicContact NZ-OE1 3.94Å; K28-E31 IonicContact NZ-OE2 2.75Å; K28-E31 PolarHBondContact NZ-OE2 2.97Å; K28-E31 WeakPolarHBondContact O-CA 3.39Å; K28-E31 WeakPolarHBondContact O-CB 3.3Å; K28-E31 PolarHBondContact O-N 2.84Å; E31-E34 PolarHBondContact O-N 3.44Å; E31-T35 WeakPolarHBondContact O-CB 3.27Å; E31-T35 PolarHBondContact O-N 3.49Å; E31-T35 PolarHBondContact O-OG1 2.94Å; E31-I100 HydrophobicContact CG-CG2 4.15Å; E31-I100 WeakPolarHBondContact OE1-CG2 3.35Å
32	V	97.9	Very high	97	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.4	-46.7	172.4	-179.3	0	0	0	0	111.2	I24 K28 A29 R30 T35 V36 L79 I97 I100 L103	I24-V32 HydrophobicContact CD1-CG1 4.5Å; I24-V32 HydrophobicContact CG1-CG1 4.36Å; I24-V32 HydrophobicContact CG2-CG2 4.2Å; K28-V32 WeakPolarHBondContact O-CG2 3.41Å; K28-V32 PolarHBondContact O-N 3.05Å; A29-V32 PolarHBondContact O-N 2.95Å; R30-V32 VanDerWaalsContact C-N 3.27Å; R30-V32 PolarHBondContact O-N 3.05Å; V32-T35 PolarHBondContact O-N 3.45Å; V32-V36 HydrophobicContact CG1-CG2 3.96Å; V32-V36 WeakPolarHBondContact O-CB 3.35Å; V32-V36 WeakPolarHBondContact O-CG2 3.02Å; V32-V36 PolarHBondContact O-N 3.16Å; V32-L79 HydrophobicContact CB-CD2 4.08Å; V32-L79 HydrophobicContact CG1-CD2 3.83Å; V32-I97 HydrophobicContact CG1-CG1 4Å; V32-I97 HydrophobicContact CG1-CG2 4.22Å; V32-I97 HydrophobicContact CG2-CG2 4.22Å; V32-I100 HydrophobicContact CB-CD1 4.31Å; V32-I100 HydrophobicContact CG2-CD1 3.91Å; V32-L103 HydrophobicContact CG2-CD1 4.38Å; V32-L103 HydrophobicContact CG2-CD2 3.38Å; V32-L103 HydrophobicContact CG2-CG 4.47Å
33	A	98	Very high	97	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.249	C	C	.	.	I	π-helix	trans	-58.4	-53.5	177.7	0	0	0	0	0	110.5	A29 R30 T35 L37 G38 K39 L40 L79	A29-A33 PolarHBondContact O-N 3.27Å; A29-A33 VanDerWaalsContact O-N 3.09Å; R30-A33 WeakPolarHBondContact O-CB 3.49Å; R30-A33 PolarHBondContact O-N 2.96Å; R30-A33 VanDerWaalsContact O-N 3.1Å; A33-T35 PolarHBondContact O-N 2.95Å; A33-L37 HydrophobicContact CB-CD1 4.13Å; A33-L37 VanDerWaalsContact O-CA 3.31Å; A33-L37 WeakPolarHBondContact O-CA 3.44Å; A33-L37 WeakPolarHBondContact O-CB 3.38Å; A33-L37 PolarHBondContact O-N 3.14Å; A33-G38 PolarHBondContact O-N 2.82Å; A33-K39 CarbonylContact C-O 3.5Å; A33-L40 HydrophobicContact CB-CD1 3.66Å; A33-L79 HydrophobicContact CB-CD1 4.08Å; A33-L79 HydrophobicContact CB-CD2 3.88Å
34	E	96.7	Very high	96.9	Very high	107 Å²	107	54.6 Å²	54.6	50%	0.5	26%	0.264	S	S	.	.	I	π-helix	trans	-58.4	-37.7	179.3	-69.1	172.3	-177.6	0	0	112.5	R30 E31 G38	R30-E34 PolarHBondContact O-N 3.46Å; E31-E34 PolarHBondContact O-N 3.44Å; E34-G38 WeakPolarHBondContact O-CA 3.42Å; E34-G38 PolarHBondContact O-N 3.22Å
35	T	96.1	Very high	96.9	Very high	50 Å²	50	61.8 Å²	61.8	31%	0.307	29%	0.292	S	S	.	.	I	π-helix	trans	-78.6	-42.4	-176.1	-61	0	0	0	0	113.7	E31 V32 A33 I100	E31-T35 WeakPolarHBondContact O-CB 3.27Å; E31-T35 PolarHBondContact O-N 3.49Å; E31-T35 PolarHBondContact O-OG1 2.94Å; V32-T35 PolarHBondContact O-N 3.45Å; A33-T35 PolarHBondContact O-N 2.95Å; T35-I100 HydrophobicContact CG2-CD1 3.87Å; T35-I100 HydrophobicContact CG2-CG1 4.2Å
36	V	97.5	Very high	96.8	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	32%	0.318	C	S	.	.	I	π-helix	trans	-91.2	-32.7	-175.4	179.2	0	0	0	0	111.4	V32 F51 K52 L81 R96 I97	V32-V36 HydrophobicContact CG1-CG2 3.96Å; V32-V36 WeakPolarHBondContact O-CB 3.35Å; V32-V36 WeakPolarHBondContact O-CG2 3.02Å; V32-V36 PolarHBondContact O-N 3.16Å; V36-F51 HydrophobicContact CG1-CB 3.97Å; V36-K52 PolarHBondContact O-N 2.89Å; V36-L81 HydrophobicContact CG1-CD1 4.17Å; V36-R96 HydrophobicContact CG2-CG 4.35Å; V36-I97 HydrophobicContact CG2-CG1 4.24Å
37	L	97.5	Very high	96.9	Very high	9 Å²	9	66.5 Å²	66.5	5%	0.047	33%	0.326	C	S	.	.	I	π-helix	trans	-103.4	-23.1	-175.1	-53.7	-177.9	0	0	0	112.9	A33 K39 P41 L49 F51 A64 L79 L81	A33-L37 HydrophobicContact CB-CD1 4.13Å; A33-L37 VanDerWaalsContact O-CA 3.31Å; A33-L37 WeakPolarHBondContact O-CA 3.44Å; A33-L37 WeakPolarHBondContact O-CB 3.38Å; A33-L37 PolarHBondContact O-N 3.14Å; L37-K39 PolarHBondContact O-N 2.73Å; L37-P41 HydrophobicContact CD1-CG 3.97Å; L37-L49 HydrophobicContact CB-CD1 3.46Å; L37-L49 VanDerWaalsContact CB-CD1 3.46Å; L37-L49 HydrophobicContact CD1-CD1 4.4Å; L37-L49 HydrophobicContact CD2-CD1 3.67Å; L37-L49 HydrophobicContact CD2-CG 4.36Å; L37-L49 HydrophobicContact CG-CD1 4.01Å; L37-F51 HydrophobicContact CD2-CD1 3.34Å; L37-F51 HydrophobicContact CD2-CE1 3.66Å; L37-F51 HydrophobicContact CD2-CG 4.42Å; L37-A64 HydrophobicContact CD1-CB 3.42Å; L37-A64 VanDerWaalsContact CD1-CB 3.42Å; L37-A64 HydrophobicContact CD2-CB 4.19Å; L37-A64 HydrophobicContact CG-CB 4.46Å; L37-L79 HydrophobicContact CD1-CD1 4.19Å; L37-L81 HydrophobicContact CD1-CD2 4.07Å; L37-L81 HydrophobicContact CD2-CD2 3.86Å; L37-L81 HydrophobicContact CG-CD2 4.3Å
38	G	95.5	Very high	97.1	Very high	56 Å²	56	65.8 Å²	65.8	58%	0.577	32%	0.319	S	S	*	.	S	Bend	trans	78.8	0.8	-172	0	0	0	0	0	114.2	A33 E34	A33-G38 PolarHBondContact O-N 2.82Å; E34-G38 WeakPolarHBondContact O-CA 3.42Å; E34-G38 PolarHBondContact O-N 3.22Å
39	K	96.4	Very high	97.2	Very high	98 Å²	98	64.2 Å²	64.2	43%	0.426	31%	0.313	S	S	.	.	S	Bend	trans	-160.8	160.7	177.1	60	166.8	178	163.6	0	110.7	A33 L37 D47	A33-K39 CarbonylContact C-O 3.5Å; L37-K39 PolarHBondContact O-N 2.73Å; K39-D47 VanDerWaalsContact CE-OD2 3.28Å; K39-D47 WeakPolarHBondContact CE-OD2 3.21Å; K39-D47 IonicContact NZ-OD2 2.66Å; K39-D47 PolarHBondContact NZ-OD2 2.91Å
40	L	97.2	Very high	97.2	Very high	54 Å²	54	66 Å²	66	28%	0.283	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-88.5	122.9	165.9	-172	66.1	0	0	0	109.9	R30 A33 W66	R30-L40 HydrophobicContact CB-CD1 4.38Å; R30-L40 HydrophobicContact CG-CD1 4.12Å; R30-L40 HydrophobicContact CG-CD2 4.1Å; A33-L40 HydrophobicContact CB-CD1 3.66Å; L40-W66 HydrophobicContact CD1-CD2 3.64Å; L40-W66 HydrophobicContact CD1-CE3 3.83Å; L40-W66 HydrophobicContact CD1-CG 4.01Å; L40-W66 HydrophobicContact CD1-CH2 4.28Å; L40-W66 HydrophobicContact CD1-CZ2 4.19Å; L40-W66 HydrophobicContact CD1-CZ3 4.14Å; L40-W66 HydrophobicContact CG-CD2 4.4Å; L40-W66 HydrophobicContact CG-CG 4.38Å
41	P	97.3	Very high	97.3	Very high	3 Å²	3	60.2 Å²	60.2	2%	0.019	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-60.5	156.3	172.1	-23.2	33.9	0	0	0	112.4	L37 D47 A64 W66	L37-P41 HydrophobicContact CD1-CG 3.97Å; P41-D47 HydrophobicContact CB-CB 4.5Å; P41-A64 HydrophobicContact CG-CB 3.88Å; P41-W66 HydrophobicContact CB-CB 4.02Å; P41-W66 HydrophobicContact CG-CB 4.46Å
42	K	97.6	Very high	97.3	Very high	147 Å²	147	60.6 Å²	60.6	64%	0.639	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-67.1	144.5	172.3	-70.6	-179.9	-178.7	178.2	0	110	R44 Y45	K42-R44 PolarHBondContact O-N 3.3Å; K42-R44 VanDerWaalsContact O-N 3.13Å; K42-Y45 HydrophobicContact CB-CD2 3.78Å; K42-Y45 HydrophobicContact CB-CG 4.07Å; K42-Y45 PolarHBondContact O-N 2.93Å
43	P	98	Very high	97.3	Very high	68 Å²	68	63.2 Å²	63.2	44%	0.442	32%	0.318	S	S	.	.	B	Isolated β-bridge	trans	-51.1	119.3	178.4	-30	36.5	0	0	0	112.9	Y45 W66 P68	P43-Y45 VanDerWaalsContact C-N 3.25Å; P43-Y45 VanDerWaalsContact O-CD2 3.27Å; P43-Y45 WeakPolarHBondContact O-CD2 3.47Å; P43-Y45 PolarHBondContact O-N 3.23Å; P43-W66 CarbonylContact C-O 3.56Å; P43-W66 WeakPolarHBondContact CA-O 3.38Å; P43-P68 HydrophobicContact CB-CG 3.8Å; P43-P68 HydrophobicContact CG-CG 3.98Å
44	R	95.7	Very high	97	Very high	140 Å²	140	66.9 Å²	66.9	53%	0.528	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	61	23.5	-179.2	-54.5	177	172.3	79	-0.2	115.5	K42 W66 F67 N71	K42-R44 PolarHBondContact O-N 3.3Å; K42-R44 VanDerWaalsContact O-N 3.13Å; R44-W66 PolarHBondContact N-O 3.28Å; R44-F67 HydrophobicContact CG-CD1 4.11Å; R44-F67 HydrophobicContact CG-CE1 4.38Å; R44-N71 PolarHBondContact NH2-O 3.45Å
45	Y	97.8	Very high	96.9	Very high	151 Å²	151	67.7 Å²	67.7	59%	0.592	36%	0.356	S	S	*	.			trans	-106.1	135.5	168	-75.1	-101.2	0	0	0	109.9	K42 P43 D47	K42-Y45 HydrophobicContact CB-CD2 3.78Å; K42-Y45 HydrophobicContact CB-CG 4.07Å; K42-Y45 PolarHBondContact O-N 2.93Å; P43-Y45 VanDerWaalsContact C-N 3.25Å; P43-Y45 VanDerWaalsContact O-CD2 3.27Å; P43-Y45 WeakPolarHBondContact O-CD2 3.47Å; P43-Y45 PolarHBondContact O-N 3.23Å; Y45-D47 PolarHBondContact O-N 2.79Å
46	A	97.5	Very high	96.7	Very high	65 Å²	65	67.4 Å²	67.4	54%	0.537	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-78.2	116.7	172.5	0	0	0	0	0	109.5	I63 L65	A46-I63 HydrophobicContact CB-CG2 3.68Å; A46-L65 HydrophobicContact CB-CD2 3.89Å
47	D	98.1	Very high	96.7	Very high	35 Å²	35	69.9 Å²	69.9	19%	0.187	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	130.5	167.3	-74.1	-11	0	0	0	109	K39 P41 Y45 L49 I63 A64	K39-D47 VanDerWaalsContact CE-OD2 3.28Å; K39-D47 WeakPolarHBondContact CE-OD2 3.21Å; K39-D47 IonicContact NZ-OD2 2.66Å; K39-D47 PolarHBondContact NZ-OD2 2.91Å; P41-D47 HydrophobicContact CB-CB 4.5Å; Y45-D47 PolarHBondContact O-N 2.79Å; D47-L49 VanDerWaalsContact C-CD2 3.48Å; D47-L49 HydrophobicContact CB-CD2 3.28Å; D47-L49 VanDerWaalsContact O-CD2 3.26Å; D47-L49 WeakPolarHBondContact O-CD2 3.45Å; D47-I63 CarbonylContact O-C 3.55Å; D47-I63 WeakPolarHBondContact O-CA 3.42Å; D47-A64 PolarHBondContact N-O 2.92Å; D47-A64 VanDerWaalsContact N-O 3.14Å; D47-A64 PolarHBondContact O-N 2.87Å
48	Y	98	Very high	96.7	Very high	157 Å²	157	73.4 Å²	73.4	62%	0.616	40%	0.402	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	117.6	171	179.3	-110.1	0	0	0	110.8	Q61 G62 I63	Y48-Q61 HydrophobicContact CE1-CG 4.23Å; Y48-Q61 HydrophobicContact CE2-CG 4.01Å; Y48-G62 WeakPolarHBondContact CA-O 3.35Å; Y48-G62 VanDerWaalsContact CD2-O 3.29Å; Y48-G62 WeakPolarHBondContact CD2-O 3.2Å; Y48-I63 HydrophobicContact CD2-CG1 4.47Å
49	L	97.6	Very high	96.7	Very high	14 Å²	14	72 Å²	72	7%	0.073	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	163.8	-173.2	58.3	143.5	0	0	0	112.8	L37 D47 G62 A64	L37-L49 HydrophobicContact CB-CD1 3.46Å; L37-L49 VanDerWaalsContact CB-CD1 3.46Å; L37-L49 HydrophobicContact CD1-CD1 4.4Å; L37-L49 HydrophobicContact CD2-CD1 3.67Å; L37-L49 HydrophobicContact CD2-CG 4.36Å; L37-L49 HydrophobicContact CG-CD1 4.01Å; D47-L49 VanDerWaalsContact C-CD2 3.48Å; D47-L49 HydrophobicContact CB-CD2 3.28Å; D47-L49 VanDerWaalsContact O-CD2 3.26Å; D47-L49 WeakPolarHBondContact O-CD2 3.45Å; L49-G62 PolarHBondContact N-O 2.83Å; L49-G62 PolarHBondContact O-N 3.42Å; L49-G62 VanDerWaalsContact O-N 3.14Å; L49-A64 HydrophobicContact CD2-CB 4.22Å
50	P	97.7	Very high	96.7	Very high	39 Å²	39	68 Å²	68	25%	0.253	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	142.2	172.9	27.1	-36.4	0	0	0	112.7	V58 D60	P50-V58 HydrophobicContact CB-CB 4.32Å; P50-V58 HydrophobicContact CB-CG1 3.65Å; P50-V58 HydrophobicContact CB-CG2 3.69Å; P50-D60 WeakPolarHBondContact CA-O 3.15Å
51	F	98.1	Very high	96.6	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	121.1	167	-53.7	-22.6	0	0	0	108.5	V36 L37 L59 D60 A64 L81 L93	V36-F51 HydrophobicContact CG1-CB 3.97Å; L37-F51 HydrophobicContact CD2-CD1 3.34Å; L37-F51 HydrophobicContact CD2-CE1 3.66Å; L37-F51 HydrophobicContact CD2-CG 4.42Å; F51-L59 PolarHBondContact O-N 2.95Å; F51-D60 HydrophobicContact CD2-CB 4.09Å; F51-D60 PolarHBondContact N-O 2.59Å; F51-D60 PolarHBondContact O-N 3.48Å; F51-A64 HydrophobicContact CE1-CB 4.48Å; F51-L81 HydrophobicContact CE1-CD2 4.22Å; F51-L81 HydrophobicContact CE2-CB 4.05Å; F51-L81 HydrophobicContact CZ-CB 4.04Å; F51-L81 HydrophobicContact CZ-CD2 4.44Å; F51-L93 HydrophobicContact CB-CD2 3.53Å; F51-L93 HydrophobicContact CD2-CD1 3.78Å; F51-L93 HydrophobicContact CD2-CD2 3.94Å; F51-L93 HydrophobicContact CE2-CD1 4.4Å; F51-L93 HydrophobicContact CG-CD2 4.18Å
52	K	97.7	Very high	96.6	Very high	79 Å²	79	69.6 Å²	69.6	34%	0.343	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	143.8	-166.9	-61.7	178.7	-176.9	175.2	0	113.5	V36 S57 R96	V36-K52 PolarHBondContact O-N 2.89Å; K52-S57 CarbonylContact C-O 3.52Å; K52-S57 VanDerWaalsContact CA-O 3.24Å; K52-S57 WeakPolarHBondContact CA-O 3.26Å; K52-R96 PolarHBondContact O-NE 2.9Å
53	D	96.5	Very high	96.6	Very high	56 Å²	56	65.6 Å²	65.6	30%	0.299	36%	0.356	S	S	.	.			trans	-77.2	177.5	167.5	-151.9	-10.1	0	0	0	111.4	D55 G56 S57 L59 R96	D53-D55 VanDerWaalsContact C-N 3.28Å; D53-D55 PolarHBondContact O-N 3.27Å; D53-G56 PolarHBondContact O-N 3.22Å; D53-G56 VanDerWaalsContact O-N 3.1Å; D53-S57 PolarHBondContact N-O 3.2Å; D53-L59 HydrophobicContact CB-CD1 3.94Å; D53-L59 HydrophobicContact CB-CD2 3.8Å; D53-L59 HydrophobicContact CB-CG 3.73Å; D53-R96 WeakPolarHBondContact OD1-CD 3.29Å
54	A	93.4	Very high	96.7	Very high	76 Å²	76	62.4 Å²	62.4	63%	0.628	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-29.3	-180	0	0	0	0	0	113.4	G56	A54-G56 VanDerWaalsContact C-N 3.26Å
55	D	94.1	Very high	96.8	Very high	125 Å²	125	57 Å²	57	67%	0.668	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-1.3	175.2	70.2	-7.9	0	0	0	113.3	D53 S57	D53-D55 VanDerWaalsContact C-N 3.28Å; D53-D55 PolarHBondContact O-N 3.27Å; D55-S57 VanDerWaalsContact C-N 3.31Å; D55-S57 WeakPolarHBondContact OD1-CB 3.37Å; D55-S57 PolarHBondContact OD1-N 3.48Å; D55-S57 PolarHBondContact OD1-OG 3.46Å
56	G	92.3	Very high	96.8	Very high	44 Å²	44	50.1 Å²	50.1	45%	0.454	29%	0.29	S	S	.	.	S	Bend	trans	84.1	-1.3	-178	0	0	0	0	0	114.7	D53 A54	D53-G56 PolarHBondContact O-N 3.22Å; D53-G56 VanDerWaalsContact O-N 3.1Å; A54-G56 VanDerWaalsContact C-N 3.26Å
57	S	96.3	Very high	96.9	Very high	52 Å²	52	49.3 Å²	49.3	36%	0.364	27%	0.274	S	S	.	.			trans	-64.1	157	170.5	69.5	0	0	0	0	111	K52 D53 D55	K52-S57 CarbonylContact C-O 3.52Å; K52-S57 VanDerWaalsContact CA-O 3.24Å; K52-S57 WeakPolarHBondContact CA-O 3.26Å; D53-S57 PolarHBondContact N-O 3.2Å; D55-S57 VanDerWaalsContact C-N 3.31Å; D55-S57 WeakPolarHBondContact OD1-CB 3.37Å; D55-S57 PolarHBondContact OD1-N 3.48Å; D55-S57 PolarHBondContact OD1-OG 3.46Å
58	V	97.1	Very high	96.8	Very high	83 Å²	83	49.2 Å²	49.2	50%	0.503	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	117.3	-178.2	-179.2	0	0	0	0	108.8	P50 D60	P50-V58 HydrophobicContact CB-CB 4.32Å; P50-V58 HydrophobicContact CB-CG1 3.65Å; P50-V58 HydrophobicContact CB-CG2 3.69Å; V58-D60 WeakPolarHBondContact CG1-O 3.41Å
59	L	95.6	Very high	96.6	Very high	25 Å²	25	43.1 Å²	43.1	13%	0.131	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-40.7	173.9	-67	175.7	0	0	0	111.2	F51 D53 L92 L93 R96	F51-L59 PolarHBondContact O-N 2.95Å; D53-L59 HydrophobicContact CB-CD1 3.94Å; D53-L59 HydrophobicContact CB-CD2 3.8Å; D53-L59 HydrophobicContact CB-CG 3.73Å; L59-L92 HydrophobicContact CD2-CB 4.37Å; L59-L93 HydrophobicContact CB-CD2 3.86Å; L59-L93 HydrophobicContact CD1-CD2 3.98Å; L59-R96 HydrophobicContact CD1-CB 3.78Å; L59-R96 HydrophobicContact CD1-CG 4.03Å
60	D	97.1	Very high	96.5	Very high	16 Å²	16	46.6 Å²	46.6	9%	0.086	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	173.6	177.3	-163.7	12.7	0	0	0	110.5	P50 F51 V58 G83 H84 I89 L93	P50-D60 WeakPolarHBondContact CA-O 3.15Å; F51-D60 HydrophobicContact CD2-CB 4.09Å; F51-D60 PolarHBondContact N-O 2.59Å; F51-D60 PolarHBondContact O-N 3.48Å; V58-D60 WeakPolarHBondContact CG1-O 3.41Å; D60-G83 VanDerWaalsContact OD2-CA 3.24Å; D60-G83 WeakPolarHBondContact OD2-CA 3.48Å; D60-H84 IonicContact OD1-CE1 3.61Å; D60-H84 IonicContact OD1-CG 3.8Å; D60-H84 IonicContact OD1-ND1 2.76Å; D60-H84 PolarHBondContact OD1-ND1 3.43Å; D60-H84 PolarHBondContact OD2-N 3.34Å; D60-H84 IonicContact OD2-ND1 3.57Å; D60-I89 HydrophobicContact CB-CG2 3.65Å; D60-L93 HydrophobicContact CB-CD1 4.23Å
61	Q	95.9	Very high	96.3	Very high	83 Å²	83	49.5 Å²	49.5	39%	0.388	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	126.4	174.5	-165.8	173.5	1.3	0	0	110.1	Y48	Y48-Q61 HydrophobicContact CE1-CG 4.23Å; Y48-Q61 HydrophobicContact CE2-CG 4.01Å
62	G	96.8	Very high	96.1	Very high	6 Å²	6	50 Å²	50	6%	0.062	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	-165.2	-169.4	0	0	0	0	0	113.5	Y48 L49 Q82	Y48-G62 WeakPolarHBondContact CA-O 3.35Å; Y48-G62 VanDerWaalsContact CD2-O 3.29Å; Y48-G62 WeakPolarHBondContact CD2-O 3.2Å; L49-G62 PolarHBondContact N-O 2.83Å; L49-G62 PolarHBondContact O-N 3.42Å; L49-G62 VanDerWaalsContact O-N 3.14Å; G62-Q82 CarbonylContact C-O 3.52Å; G62-Q82 VanDerWaalsContact CA-O 3.25Å; G62-Q82 WeakPolarHBondContact CA-O 3.41Å
63	I	98.4	Very high	95.9	Very high	64 Å²	64	49.8 Å²	49.8	33%	0.328	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	131.9	179	-63.4	171.8	0	0	0	109.1	A46 D47 Y48 L65 Q82	A46-I63 HydrophobicContact CB-CG2 3.68Å; D47-I63 CarbonylContact O-C 3.55Å; D47-I63 WeakPolarHBondContact O-CA 3.42Å; Y48-I63 HydrophobicContact CD2-CG1 4.47Å; I63-L65 HydrophobicContact CG2-CG 4.27Å; I63-Q82 HydrophobicContact CB-CB 4.25Å; I63-Q82 PolarHBondContact N-O 3.19Å; I63-Q82 PolarHBondContact O-N 3.5Å
64	A	98.5	Very high	95.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	135.9	168.6	0	0	0	0	0	110.8	L37 P41 D47 L49 F51 E80 L81	L37-A64 HydrophobicContact CD1-CB 3.42Å; L37-A64 VanDerWaalsContact CD1-CB 3.42Å; L37-A64 HydrophobicContact CD2-CB 4.19Å; L37-A64 HydrophobicContact CG-CB 4.46Å; P41-A64 HydrophobicContact CG-CB 3.88Å; D47-A64 PolarHBondContact N-O 2.92Å; D47-A64 VanDerWaalsContact N-O 3.14Å; D47-A64 PolarHBondContact O-N 2.87Å; L49-A64 HydrophobicContact CD2-CB 4.22Å; F51-A64 HydrophobicContact CE1-CB 4.48Å; A64-E80 WeakPolarHBondContact CA-O 3.47Å; A64-L81 HydrophobicContact CB-CD2 4.13Å
65	L	98.3	Very high	96	Very high	28 Å²	28	44.2 Å²	44.2	15%	0.147	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	132.7	176.2	-67.5	170.9	0	0	0	110.7	A46 I63 F67 L79 E80 Q82	A46-L65 HydrophobicContact CB-CD2 3.89Å; I63-L65 HydrophobicContact CG2-CG 4.27Å; L65-F67 HydrophobicContact CB-CD2 4.37Å; L65-F67 HydrophobicContact CB-CE2 3.55Å; L65-F67 HydrophobicContact CB-CZ 3.91Å; L65-F67 HydrophobicContact CD1-CE2 4.24Å; L65-F67 HydrophobicContact CD1-CZ 3.96Å; L65-F67 HydrophobicContact CG-CZ 4.48Å; L65-L79 WeakPolarHBondContact O-CA 3.37Å; L65-E80 HydrophobicContact CB-CB 4.34Å; L65-E80 PolarHBondContact N-O 2.97Å; L65-E80 PolarHBondContact O-N 3.37Å; L65-Q82 VanDerWaalsContact CD1-NE2 3.33Å
66	W	98.4	Very high	96.1	Very high	5 Å²	5	40.2 Å²	40.2	2%	0.019	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	125.7	176.3	177.5	-118.7	0	0	0	111.4	A29 R30 L40 P41 P43 R44 D77 L79	A29-W66 HydrophobicContact CB-CH2 4.11Å; A29-W66 HydrophobicContact CB-CZ3 3.68Å; R30-W66 HydrophobicContact CB-CH2 4.12Å; L40-W66 HydrophobicContact CD1-CD2 3.64Å; L40-W66 HydrophobicContact CD1-CE3 3.83Å; L40-W66 HydrophobicContact CD1-CG 4.01Å; L40-W66 HydrophobicContact CD1-CH2 4.28Å; L40-W66 HydrophobicContact CD1-CZ2 4.19Å; L40-W66 HydrophobicContact CD1-CZ3 4.14Å; L40-W66 HydrophobicContact CG-CD2 4.4Å; L40-W66 HydrophobicContact CG-CG 4.38Å; P41-W66 HydrophobicContact CB-CB 4.02Å; P41-W66 HydrophobicContact CG-CB 4.46Å; P43-W66 CarbonylContact C-O 3.56Å; P43-W66 WeakPolarHBondContact CA-O 3.38Å; R44-W66 PolarHBondContact N-O 3.28Å; W66-D77 HydrophobicContact CH2-CB 3.44Å; W66-D77 VanDerWaalsContact CH2-CB 3.44Å; W66-D77 VanDerWaalsContact CH2-CG 3.47Å; W66-D77 WeakPolarHBondContact CH2-OD2 3.48Å; W66-D77 HydrophobicContact CZ2-CB 3.92Å; W66-D77 VanDerWaalsContact CZ2-CG 3.43Å; W66-D77 WeakPolarHBondContact CZ2-OD2 3.44Å; W66-D77 HydrophobicContact CZ3-CB 4.24Å; W66-L79 HydrophobicContact CE3-CB 4.06Å; W66-L79 HydrophobicContact CE3-CD1 4.27Å; W66-L79 HydrophobicContact CZ3-CB 4.16Å
67	F	98.1	Very high	96.4	Very high	49 Å²	49	40 Å²	40	22%	0.215	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	93.9	177.5	-55.9	-88.6	0	0	0	108.9	R44 L65 V78 E80	R44-F67 HydrophobicContact CG-CD1 4.11Å; R44-F67 HydrophobicContact CG-CE1 4.38Å; L65-F67 HydrophobicContact CB-CD2 4.37Å; L65-F67 HydrophobicContact CB-CE2 3.55Å; L65-F67 HydrophobicContact CB-CZ 3.91Å; L65-F67 HydrophobicContact CD1-CE2 4.24Å; L65-F67 HydrophobicContact CD1-CZ 3.96Å; L65-F67 HydrophobicContact CG-CZ 4.48Å; F67-V78 HydrophobicContact CB-CB 4.11Å; F67-V78 HydrophobicContact CD2-CG1 4.15Å; F67-V78 PolarHBondContact N-O 2.95Å; F67-V78 PolarHBondContact O-N 3.45Å; F67-E80 HydrophobicContact CE2-CB 4.44Å; F67-E80 HydrophobicContact CE2-CG 3.98Å
68	P	97.2	Very high	96.5	Very high	33 Å²	33	37.6 Å²	37.6	21%	0.214	21%	0.212	C	C	.	.			trans	-67.9	141.3	-179.9	27.6	-33.8	0	0	0	111.4	P43 N71 D77	P43-P68 HydrophobicContact CB-CG 3.8Å; P43-P68 HydrophobicContact CG-CG 3.98Å; P68-N71 CarbonylContact O-C 3.45Å; P68-N71 PolarHBondContact O-N 3.4Å; P68-D77 WeakPolarHBondContact CA-OD1 3.45Å
69	G	94.5	Very high	96.5	Very high	28 Å²	28	33.7 Å²	33.7	29%	0.289	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	156.5	168.6	0	0	0	0	0	111.5	N71 E76 D77	G69-N71 VanDerWaalsContact C-N 3.27Å; G69-E76 PolarHBondContact N-O 3.4Å; G69-D77 PolarHBondContact N-OD1 3.1Å
70	P	94.1	Very high	96.7	Very high	87 Å²	87	33.2 Å²	33.2	57%	0.565	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	cis	-83.7	5	-4.3	35.8	-36.7	0	0	0	113.7	S72 G75 K120	P70-S72 VanDerWaalsContact C-N 3.25Å; P70-S72 PolarHBondContact O-N 2.83Å; P70-G75 WeakPolarHBondContact CA-O 3.14Å; P70-K120 PolarHBondContact O-NZ 3.48Å
71	N	93.5	Very high	96.7	Very high	101 Å²	101	32.5 Å²	32.5	54%	0.54	18%	0.181	S	C	.	.	S	Bend	trans	-93.4	40.4	-175	-63.6	-47.8	0	0	0	111.5	R44 P68 G69	R44-N71 PolarHBondContact NH2-O 3.45Å; P68-N71 CarbonylContact O-C 3.45Å; P68-N71 PolarHBondContact O-N 3.4Å; G69-N71 VanDerWaalsContact C-N 3.27Å
72	S	95	Very high	96.8	Very high	11 Å²	11	30.7 Å²	30.7	8%	0.077	17%	0.173	C	C	.	.	S	Bend	trans	-110.7	177.7	171.9	73	0	0	0	0	109.8	P70 T74 G75 E76	P70-S72 VanDerWaalsContact C-N 3.25Å; P70-S72 PolarHBondContact O-N 2.83Å; S72-T74 PolarHBondContact OG-N 2.86Å; S72-G75 WeakPolarHBondContact OG-CA 3.47Å; S72-G75 PolarHBondContact OG-N 2.65Å; S72-E76 WeakPolarHBondContact CB-O 3.35Å; S72-E76 PolarHBondContact OG-N 2.8Å; S72-E76 PolarHBondContact OG-O 3.13Å
73	F	93.8	Very high	96.7	Very high	74 Å²	74	30.7 Å²	30.7	33%	0.325	17%	0.173	S	C	.	.	S	Bend	trans	-60.9	-46.3	174	174.2	-106.8	0	0	0	112.1	F111 A115 L121 I129	F73-F111 HydrophobicContact CD1-CB 4.45Å; F73-F111 HydrophobicContact CE1-CB 4.05Å; F73-A115 HydrophobicContact CE1-CB 4.34Å; F73-A115 HydrophobicContact CZ-CB 4.37Å; F73-A115 WeakPolarHBondContact O-CB 3.45Å; F73-L121 HydrophobicContact CE2-CD1 4.19Å; F73-I129 HydrophobicContact CE2-CD1 3.85Å; F73-I129 HydrophobicContact CZ-CD1 3.71Å
74	T	95.4	Very high	96.6	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-84.8	-11.1	-177.5	58.1	0	0	0	0	113.5	S25 S72 E76 V78 F111 R114 N118	S25-T74 WeakPolarHBondContact OG-CB 3.42Å; S25-T74 WeakPolarHBondContact OG-CG2 3.45Å; S25-T74 PolarHBondContact OG-OG1 3.01Å; S72-T74 PolarHBondContact OG-N 2.86Å; T74-E76 PolarHBondContact O-N 3.33Å; T74-E76 PolarHBondContact OG1-N 3.01Å; T74-V78 HydrophobicContact CG2-CG2 4.27Å; T74-V78 WeakPolarHBondContact OG1-CG2 3.47Å; T74-F111 HydrophobicContact CG2-CB 4.15Å; T74-F111 HydrophobicContact CG2-CD1 3.85Å; T74-F111 WeakPolarHBondContact CG2-O 3.41Å; T74-R114 HydrophobicContact CG2-CB 4.4Å; T74-R114 CarbonylContact O-C 3.58Å; T74-N118 WeakPolarHBondContact O-CB 3.37Å; T74-N118 PolarHBondContact O-ND2 3.13Å
75	G	95.7	Very high	96.3	Very high	14 Å²	14	33 Å²	33	14%	0.144	18%	0.183	C	C	.	.	S	Bend	trans	81.4	-9.7	-167.6	0	0	0	0	0	113.8	P70 S72	P70-G75 WeakPolarHBondContact CA-O 3.14Å; S72-G75 WeakPolarHBondContact OG-CA 3.47Å; S72-G75 PolarHBondContact OG-N 2.65Å
76	E	96.2	Very high	96	Very high	41 Å²	41	32.7 Å²	32.7	19%	0.192	19%	0.186	C	C	.	.	S	Bend	trans	-97.6	175.7	175.3	-53.5	-179.9	123.1	0	0	111.7	S25 G26 G69 S72 T74 V78 R114	S25-E76 WeakPolarHBondContact CB-OE2 3.25Å; S25-E76 PolarHBondContact OG-OE2 3.41Å; G26-E76 PolarHBondContact N-OE2 2.91Å; G69-E76 PolarHBondContact N-O 3.4Å; S72-E76 WeakPolarHBondContact CB-O 3.35Å; S72-E76 PolarHBondContact OG-N 2.8Å; S72-E76 PolarHBondContact OG-O 3.13Å; T74-E76 PolarHBondContact O-N 3.33Å; T74-E76 PolarHBondContact OG1-N 3.01Å; E76-V78 PolarHBondContact O-N 3.4Å; E76-R114 IonicContact OE1-NH1 3.18Å; E76-R114 PolarHBondContact OE1-NH1 3.4Å; E76-R114 VanDerWaalsContact OE1-NH1 3.09Å; E76-R114 WeakPolarHBondContact OE2-CD 3.45Å; E76-R114 IonicContact OE2-CZ 3.46Å; E76-R114 IonicContact OE2-NE 3.52Å; E76-R114 IonicContact OE2-NH1 3.67Å; E76-R114 PolarHBondContact OE2-NH1 2.6Å
77	D	97.6	Very high	95.7	Very high	39 Å²	39	35.8 Å²	35.8	21%	0.209	21%	0.207	C	C	.	.			trans	-63.3	122.9	164.9	-89	-2	0	0	0	110.8	S25 G26 A29 W66 P68 G69	S25-D77 WeakPolarHBondContact CA-O 3.46Å; G26-D77 PolarHBondContact N-O 3.09Å; A29-D77 HydrophobicContact CB-CB 4.38Å; A29-D77 WeakPolarHBondContact CB-O 3.29Å; W66-D77 HydrophobicContact CH2-CB 3.44Å; W66-D77 VanDerWaalsContact CH2-CB 3.44Å; W66-D77 VanDerWaalsContact CH2-CG 3.47Å; W66-D77 WeakPolarHBondContact CH2-OD2 3.48Å; W66-D77 HydrophobicContact CZ2-CB 3.92Å; W66-D77 VanDerWaalsContact CZ2-CG 3.43Å; W66-D77 WeakPolarHBondContact CZ2-OD2 3.44Å; W66-D77 HydrophobicContact CZ3-CB 4.24Å; P68-D77 WeakPolarHBondContact CA-OD1 3.45Å; G69-D77 PolarHBondContact N-OD1 3.1Å
78	V	98.3	Very high	95.5	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.018	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	132.2	-178	171.8	0	0	0	0	111.3	R23 I24 F67 T74 E76 E80	R23-V78 HydrophobicContact CG-CG1 3.89Å; I24-V78 CarbonylContact O-C 3.51Å; I24-V78 WeakPolarHBondContact O-CA 3.38Å; I24-V78 WeakPolarHBondContact O-CG1 3.25Å; F67-V78 HydrophobicContact CB-CB 4.11Å; F67-V78 HydrophobicContact CD2-CG1 4.15Å; F67-V78 PolarHBondContact N-O 2.95Å; F67-V78 PolarHBondContact O-N 3.45Å; T74-V78 HydrophobicContact CG2-CG2 4.27Å; T74-V78 WeakPolarHBondContact OG1-CG2 3.47Å; E76-V78 PolarHBondContact O-N 3.4Å; V78-E80 HydrophobicContact CG1-CG 4.47Å
79	L	98.6	Very high	95.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	132.8	170.8	178.5	73.1	0	0	0	109.1	I24 A29 V32 A33 L37 L65 W66 L81	I24-L79 HydrophobicContact CB-CB 4.3Å; I24-L79 HydrophobicContact CD1-CB 4.36Å; I24-L79 HydrophobicContact CD1-CD2 4.23Å; I24-L79 HydrophobicContact CD1-CG 4.37Å; I24-L79 WeakPolarHBondContact CD1-O 3.47Å; I24-L79 PolarHBondContact N-O 2.7Å; I24-L79 PolarHBondContact O-N 2.96Å; A29-L79 HydrophobicContact CB-CB 4.3Å; V32-L79 HydrophobicContact CB-CD2 4.08Å; V32-L79 HydrophobicContact CG1-CD2 3.83Å; A33-L79 HydrophobicContact CB-CD1 4.08Å; A33-L79 HydrophobicContact CB-CD2 3.88Å; L37-L79 HydrophobicContact CD1-CD1 4.19Å; L65-L79 WeakPolarHBondContact O-CA 3.37Å; W66-L79 HydrophobicContact CE3-CB 4.06Å; W66-L79 HydrophobicContact CE3-CD1 4.27Å; W66-L79 HydrophobicContact CZ3-CB 4.16Å; L79-L81 HydrophobicContact CD1-CD2 4.33Å; L79-L81 HydrophobicContact CD2-CD2 3.93Å; L79-L81 HydrophobicContact CD2-CG 4.38Å; L79-L81 HydrophobicContact CG-CD2 4.02Å; L79-L81 HydrophobicContact CG-CG 4.5Å
80	E	98.3	Very high	95.3	Very high	16 Å²	16	38.1 Å²	38.1	8%	0.075	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	131	168.1	-65.4	-170.8	164.5	0	0	110.9	I21 L22 R23 A64 L65 F67 V78 Q82	I21-E80 HydrophobicContact CG2-CB 4.13Å; I21-E80 HydrophobicContact CG2-CG 4.28Å; L22-E80 WeakPolarHBondContact O-CA 3.17Å; R23-E80 HydrophobicContact CB-CG 4.4Å; R23-E80 HydrophobicContact CG-CG 4.18Å; R23-E80 IonicContact CZ-OE1 2.83Å; R23-E80 IonicContact NE-OE1 3.67Å; R23-E80 PolarHBondContact NE-OE1 2.82Å; R23-E80 IonicContact NH2-OE1 2.65Å; R23-E80 PolarHBondContact NH2-OE1 2.81Å; A64-E80 WeakPolarHBondContact CA-O 3.47Å; L65-E80 HydrophobicContact CB-CB 4.34Å; L65-E80 PolarHBondContact N-O 2.97Å; L65-E80 PolarHBondContact O-N 3.37Å; F67-E80 HydrophobicContact CE2-CB 4.44Å; F67-E80 HydrophobicContact CE2-CG 3.98Å; V78-E80 HydrophobicContact CG1-CG 4.47Å; E80-Q82 PolarHBondContact OE2-NE2 3.15Å
81	L	98.4	Very high	95.4	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	111.2	171.6	-54.4	-175.3	0	0	0	108.2	I21 L22 I24 V36 L37 F51 A64 L79 I97	I21-L81 WeakPolarHBondContact CA-O 3.36Å; L22-L81 HydrophobicContact CB-CB 4.43Å; L22-L81 PolarHBondContact N-O 2.87Å; L22-L81 PolarHBondContact O-N 2.79Å; I24-L81 HydrophobicContact CD1-CD1 4.38Å; I24-L81 HydrophobicContact CD1-CG 4.18Å; V36-L81 HydrophobicContact CG1-CD1 4.17Å; L37-L81 HydrophobicContact CD1-CD2 4.07Å; L37-L81 HydrophobicContact CD2-CD2 3.86Å; L37-L81 HydrophobicContact CG-CD2 4.3Å; F51-L81 HydrophobicContact CE1-CD2 4.22Å; F51-L81 HydrophobicContact CE2-CB 4.05Å; F51-L81 HydrophobicContact CZ-CB 4.04Å; F51-L81 HydrophobicContact CZ-CD2 4.44Å; A64-L81 HydrophobicContact CB-CD2 4.13Å; L79-L81 HydrophobicContact CD1-CD2 4.33Å; L79-L81 HydrophobicContact CD2-CD2 3.93Å; L79-L81 HydrophobicContact CD2-CG 4.38Å; L79-L81 HydrophobicContact CG-CD2 4.02Å; L79-L81 HydrophobicContact CG-CG 4.5Å; L81-I97 HydrophobicContact CD1-CD1 3.92Å
82	Q	97.7	Very high	95.5	Very high	44 Å²	44	35.8 Å²	35.8	21%	0.206	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	97.6	-178.1	-47.6	-171.1	-8.6	0	0	108.7	V19 G20 I21 G62 I63 L65 E80	V19-Q82 HydrophobicContact CG1-CB 4.19Å; G20-Q82 WeakPolarHBondContact O-CA 3.34Å; I21-Q82 HydrophobicContact CD1-CG 4.28Å; I21-Q82 HydrophobicContact CG1-CB 4.32Å; I21-Q82 HydrophobicContact CG1-CG 3.95Å; I21-Q82 HydrophobicContact CG2-CG 4.22Å; G62-Q82 CarbonylContact C-O 3.52Å; G62-Q82 VanDerWaalsContact CA-O 3.25Å; G62-Q82 WeakPolarHBondContact CA-O 3.41Å; I63-Q82 HydrophobicContact CB-CB 4.25Å; I63-Q82 PolarHBondContact N-O 3.19Å; I63-Q82 PolarHBondContact O-N 3.5Å; L65-Q82 VanDerWaalsContact CD1-NE2 3.33Å; E80-Q82 PolarHBondContact OE2-NE2 3.15Å
83	G	95.6	Very high	95.5	Very high	6 Å²	6	35.4 Å²	35.4	6%	0.062	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	-165.7	-178.6	0	0	0	0	0	112.2	V19 G20 D60 G85	V19-G83 CarbonylContact C-O 3.57Å; V19-G83 VanDerWaalsContact CA-O 3.3Å; V19-G83 WeakPolarHBondContact CA-O 3.28Å; G20-G83 PolarHBondContact N-O 3.25Å; G20-G83 PolarHBondContact O-N 2.9Å; D60-G83 VanDerWaalsContact OD2-CA 3.24Å; D60-G83 WeakPolarHBondContact OD2-CA 3.48Å; G83-G85 PolarHBondContact O-N 3.09Å
84	H	95.4	Very high	95.7	Very high	109 Å²	109	33.2 Å²	33.2	51%	0.505	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	131	173.8	-67.3	89.2	0	0	0	110.5	D60 G86	D60-H84 IonicContact OD1-CE1 3.61Å; D60-H84 IonicContact OD1-CG 3.8Å; D60-H84 IonicContact OD1-ND1 2.76Å; D60-H84 PolarHBondContact OD1-ND1 3.43Å; D60-H84 PolarHBondContact OD2-N 3.34Å; D60-H84 IonicContact OD2-ND1 3.57Å; H84-G86 PolarHBondContact O-N 2.96Å
85	G	92.2	Very high	95.7	Very high	3 Å²	3	38.8 Å²	38.8	3%	0.031	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	37.7	-177.4	0	0	0	0	0	114.4	R16 G17 G83	R16-G85 WeakPolarHBondContact CA-O 3.21Å; G17-G85 PolarHBondContact N-O 3.31Å; G17-G85 CarbonylContact O-C 3.5Å; G17-G85 WeakPolarHBondContact O-CA 3.16Å; G17-G85 PolarHBondContact O-N 3.36Å; G83-G85 PolarHBondContact O-N 3.09Å
86	G	92.2	Very high	95.7	Very high	22 Å²	22	39.5 Å²	39.5	23%	0.227	21%	0.21	C	C	.	.			trans	-88.6	130.7	174.5	0	0	0	0	0	110.6	H84 V88 I89 L90	H84-G86 PolarHBondContact O-N 2.96Å; G86-V88 PolarHBondContact O-N 3.49Å; G86-V88 VanDerWaalsContact O-N 3.16Å; G86-I89 PolarHBondContact O-N 2.89Å; G86-L90 PolarHBondContact O-N 3.14Å
87	P	91.8	Very high	95.8	Very high	70 Å²	70	37.6 Å²	37.6	46%	0.455	20%	0.201	S	C	.	.	H	α-helix	trans	-59.6	-34.4	-174.8	22	-33.1	0	0	0	112.8	D91	P87-D91 VanDerWaalsContact O-CB 3.26Å; P87-D91 WeakPolarHBondContact O-CB 3.44Å; P87-D91 PolarHBondContact O-N 3.25Å
88	V	94.4	Very high	95.8	Very high	102 Å²	102	38.5 Å²	38.5	62%	0.618	21%	0.206	S	C	*	.	H	α-helix	trans	-67.2	-42.8	177	178.7	0	0	0	0	111.7	G86 D91 L92	G86-V88 PolarHBondContact O-N 3.49Å; G86-V88 VanDerWaalsContact O-N 3.16Å; V88-D91 PolarHBondContact O-N 3.38Å; V88-L92 HydrophobicContact CG1-CD1 4.26Å; V88-L92 VanDerWaalsContact O-CG 3.3Å; V88-L92 WeakPolarHBondContact O-CG 3.21Å; V88-L92 PolarHBondContact O-N 2.86Å
89	I	93.3	Very high	95.6	Very high	51 Å²	51	42.4 Å²	42.4	26%	0.262	23%	0.23	S	C	.	.	H	α-helix	trans	-68.3	-44.9	-178.2	-61.9	-59.7	0	0	0	110.3	D60 G86 D91 L92 L93	D60-I89 HydrophobicContact CB-CG2 3.65Å; G86-I89 PolarHBondContact O-N 2.89Å; I89-D91 VanDerWaalsContact C-N 3.33Å; I89-D91 PolarHBondContact O-N 3.35Å; I89-L92 PolarHBondContact O-N 2.93Å; I89-L93 HydrophobicContact CG2-CD1 4.17Å; I89-L93 WeakPolarHBondContact O-CG 3.2Å; I89-L93 PolarHBondContact O-N 3.21Å
90	L	94.4	Very high	95.5	Very high	6 Å²	6	42.8 Å²	42.8	3%	0.031	23%	0.232	C	C	.	.	H	α-helix	trans	-63.9	-38.3	176.9	-63.6	175.5	0	0	0	112	Q10 L22 G86 L93 L94	Q10-L90 HydrophobicContact CG-CD1 4.14Å; L22-L90 HydrophobicContact CG-CD2 4.27Å; G86-L90 PolarHBondContact O-N 3.14Å; L90-L93 PolarHBondContact O-N 2.88Å; L90-L94 WeakPolarHBondContact O-CB 3.33Å; L90-L94 PolarHBondContact O-N 3.19Å
91	D	94.9	Very high	95.2	Very high	67 Å²	67	46.7 Å²	46.7	36%	0.358	26%	0.259	S	S	.	.	H	α-helix	trans	-66.1	-40.3	174.6	-179.6	63.8	0	0	0	112.3	P87 V88 I89 L94 K95	P87-D91 VanDerWaalsContact O-CB 3.26Å; P87-D91 WeakPolarHBondContact O-CB 3.44Å; P87-D91 PolarHBondContact O-N 3.25Å; V88-D91 PolarHBondContact O-N 3.38Å; I89-D91 VanDerWaalsContact C-N 3.33Å; I89-D91 PolarHBondContact O-N 3.35Å; D91-L94 PolarHBondContact O-N 2.96Å; D91-K95 WeakPolarHBondContact O-CB 3.45Å; D91-K95 VanDerWaalsContact O-CG 3.29Å; D91-K95 WeakPolarHBondContact O-CG 3.26Å; D91-K95 PolarHBondContact O-N 2.74Å; D91-K95 IonicContact OD1-NZ 2.69Å; D91-K95 WeakPolarHBondContact OD2-CE 3.47Å; D91-K95 IonicContact OD2-NZ 3.66Å; D91-K95 PolarHBondContact OD2-NZ 2.63Å
92	L	96.1	Very high	94.9	Very high	72 Å²	72	49 Å²	49	38%	0.377	28%	0.282	S	S	.	.	H	α-helix	trans	-62.1	-47	173.8	-73.3	173.1	0	0	0	111.8	L59 V88 I89 K95 R96	L59-L92 HydrophobicContact CD2-CB 4.37Å; V88-L92 HydrophobicContact CG1-CD1 4.26Å; V88-L92 VanDerWaalsContact O-CG 3.3Å; V88-L92 WeakPolarHBondContact O-CG 3.21Å; V88-L92 PolarHBondContact O-N 2.86Å; I89-L92 PolarHBondContact O-N 2.93Å; L92-K95 PolarHBondContact O-N 2.8Å; L92-R96 WeakPolarHBondContact O-CB 3.14Å; L92-R96 PolarHBondContact O-N 3.06Å
93	L	96	Very high	94.8	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.016	28%	0.277	C	S	.	.	H	α-helix	trans	-62.3	-43.7	175.8	-71.3	171	0	0	0	111.5	L22 F51 L59 D60 I89 L90 R96 I97	L22-L93 HydrophobicContact CD1-CB 3.49Å; L22-L93 VanDerWaalsContact CD1-CB 3.49Å; L22-L93 HydrophobicContact CD1-CD1 4.43Å; F51-L93 HydrophobicContact CB-CD2 3.53Å; F51-L93 HydrophobicContact CD2-CD1 3.78Å; F51-L93 HydrophobicContact CD2-CD2 3.94Å; F51-L93 HydrophobicContact CE2-CD1 4.4Å; F51-L93 HydrophobicContact CG-CD2 4.18Å; L59-L93 HydrophobicContact CB-CD2 3.86Å; L59-L93 HydrophobicContact CD1-CD2 3.98Å; D60-L93 HydrophobicContact CB-CD1 4.23Å; I89-L93 HydrophobicContact CG2-CD1 4.17Å; I89-L93 WeakPolarHBondContact O-CG 3.2Å; I89-L93 PolarHBondContact O-N 3.21Å; L90-L93 PolarHBondContact O-N 2.88Å; L93-R96 WeakPolarHBondContact O-CB 3.48Å; L93-R96 PolarHBondContact O-N 3.32Å; L93-I97 WeakPolarHBondContact O-CD1 3.33Å; L93-I97 WeakPolarHBondContact O-CG1 2.96Å; L93-I97 PolarHBondContact O-N 2.93Å
94	L	96.5	Very high	94.9	Very high	28 Å²	28	50.7 Å²	50.7	15%	0.147	29%	0.286	C	S	.	.	H	α-helix	trans	-60.5	-48.1	177	-179.2	62.6	0	0	0	111.1	V8 L22 L90 D91 R96 I97 L98 I105	V8-L94 HydrophobicContact CB-CD1 4.26Å; V8-L94 HydrophobicContact CG1-CD1 3.6Å; V8-L94 HydrophobicContact CG2-CD1 3.68Å; L22-L94 HydrophobicContact CD1-CB 4.42Å; L90-L94 WeakPolarHBondContact O-CB 3.33Å; L90-L94 PolarHBondContact O-N 3.19Å; D91-L94 PolarHBondContact O-N 2.96Å; L94-R96 VanDerWaalsContact C-N 3.32Å; L94-R96 PolarHBondContact O-N 2.94Å; L94-I97 PolarHBondContact O-N 3.14Å; L94-L98 HydrophobicContact CD1-CD1 4.19Å; L94-L98 HydrophobicContact CD1-CG 4.32Å; L94-L98 HydrophobicContact CG-CD1 3.94Å; L94-L98 HydrophobicContact CG-CG 4.47Å; L94-L98 WeakPolarHBondContact O-CB 3.27Å; L94-L98 VanDerWaalsContact O-CG 3.25Å; L94-L98 WeakPolarHBondContact O-CG 3.37Å; L94-L98 PolarHBondContact O-N 3.11Å; L94-I105 HydrophobicContact CD2-CD1 4.2Å
95	K	96.7	Very high	94.9	Very high	118 Å²	118	49.6 Å²	49.6	51%	0.513	28%	0.283	S	S	.	.	H	α-helix	trans	-57.5	-45.3	175.2	-78.1	169	176.7	164.6	0	111.5	D91 L92 I97 L98 T99	D91-K95 WeakPolarHBondContact O-CB 3.45Å; D91-K95 VanDerWaalsContact O-CG 3.29Å; D91-K95 WeakPolarHBondContact O-CG 3.26Å; D91-K95 PolarHBondContact O-N 2.74Å; D91-K95 IonicContact OD1-NZ 2.69Å; D91-K95 WeakPolarHBondContact OD2-CE 3.47Å; D91-K95 IonicContact OD2-NZ 3.66Å; D91-K95 PolarHBondContact OD2-NZ 2.63Å; L92-K95 PolarHBondContact O-N 2.8Å; K95-I97 PolarHBondContact O-N 3.03Å; K95-L98 PolarHBondContact O-N 2.94Å; K95-T99 WeakPolarHBondContact O-CG2 3.28Å; K95-T99 PolarHBondContact O-N 2.94Å; K95-T99 VanDerWaalsContact O-N 3.15Å
96	R	96	Very high	95	Very high	29 Å²	29	50 Å²	50	11%	0.109	29%	0.286	C	S	.	.	H	α-helix	trans	-58.5	-47.2	176.4	173.2	55.7	-179.7	128.3	-8.2	111.4	V36 K52 D53 L59 L92 L93 L94 L98 T99	V36-R96 HydrophobicContact CG2-CG 4.35Å; K52-R96 PolarHBondContact O-NE 2.9Å; D53-R96 WeakPolarHBondContact OD1-CD 3.29Å; L59-R96 HydrophobicContact CD1-CB 3.78Å; L59-R96 HydrophobicContact CD1-CG 4.03Å; L92-R96 WeakPolarHBondContact O-CB 3.14Å; L92-R96 PolarHBondContact O-N 3.06Å; L93-R96 WeakPolarHBondContact O-CB 3.48Å; L93-R96 PolarHBondContact O-N 3.32Å; L94-R96 VanDerWaalsContact C-N 3.32Å; L94-R96 PolarHBondContact O-N 2.94Å; R96-L98 VanDerWaalsContact C-N 3.33Å; R96-L98 PolarHBondContact O-N 2.77Å; R96-T99 PolarHBondContact NH1-OG1 2.63Å; R96-T99 WeakPolarHBondContact O-CB 3.39Å; R96-T99 PolarHBondContact O-N 2.9Å; R96-T99 PolarHBondContact O-OG1 2.72Å
97	I	97.3	Very high	95	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.5	-43.2	177.8	-67.7	162.2	0	0	0	110.8	V8 L22 I24 V32 V36 L81 L93 L94 K95 T99 I100 L103	V8-I97 HydrophobicContact CB-CG2 4.17Å; V8-I97 HydrophobicContact CG1-CG2 4.02Å; V8-I97 HydrophobicContact CG2-CD1 4.22Å; V8-I97 HydrophobicContact CG2-CG2 4.17Å; L22-I97 HydrophobicContact CD1-CD1 3.91Å; I24-I97 HydrophobicContact CD1-CD1 4.23Å; I24-I97 HydrophobicContact CG1-CG2 4.39Å; V32-I97 HydrophobicContact CG1-CG1 4Å; V32-I97 HydrophobicContact CG1-CG2 4.22Å; V32-I97 HydrophobicContact CG2-CG2 4.22Å; V36-I97 HydrophobicContact CG2-CG1 4.24Å; L81-I97 HydrophobicContact CD1-CD1 3.92Å; L93-I97 WeakPolarHBondContact O-CD1 3.33Å; L93-I97 WeakPolarHBondContact O-CG1 2.96Å; L93-I97 PolarHBondContact O-N 2.93Å; L94-I97 PolarHBondContact O-N 3.14Å; K95-I97 PolarHBondContact O-N 3.03Å; I97-T99 PolarHBondContact O-N 2.97Å; I97-I100 WeakPolarHBondContact O-CB 3.31Å; I97-I100 PolarHBondContact O-N 2.94Å; I97-I100 VanDerWaalsContact O-N 3.09Å; I97-L103 HydrophobicContact CG2-CD2 3.26Å
98	L	96.7	Very high	94.7	Very high	59 Å²	59	52.7 Å²	52.7	31%	0.309	29%	0.286	S	S	.	.	H	α-helix	trans	-68.3	-11.1	179	-68	171.5	0	0	0	114.2	V8 L94 K95 R96 I100 I105	V8-L98 HydrophobicContact CG1-CD2 3.85Å; V8-L98 HydrophobicContact CG1-CG 4.37Å; L94-L98 HydrophobicContact CD1-CD1 4.19Å; L94-L98 HydrophobicContact CD1-CG 4.32Å; L94-L98 HydrophobicContact CG-CD1 3.94Å; L94-L98 HydrophobicContact CG-CG 4.47Å; L94-L98 WeakPolarHBondContact O-CB 3.27Å; L94-L98 VanDerWaalsContact O-CG 3.25Å; L94-L98 WeakPolarHBondContact O-CG 3.37Å; L94-L98 PolarHBondContact O-N 3.11Å; K95-L98 PolarHBondContact O-N 2.94Å; R96-L98 VanDerWaalsContact C-N 3.33Å; R96-L98 PolarHBondContact O-N 2.77Å; L98-I100 PolarHBondContact O-N 3.38Å; L98-I105 HydrophobicContact CD1-CD1 4Å; L98-I105 HydrophobicContact CD1-CG1 3.78Å; L98-I105 HydrophobicContact CD2-CG1 4.12Å
99	T	96	Very high	94.5	Very high	85 Å²	85	48.4 Å²	48.4	52%	0.521	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-18.9	170	66.5	0	0	0	0	113	K95 R96 I97 P101	K95-T99 WeakPolarHBondContact O-CG2 3.28Å; K95-T99 PolarHBondContact O-N 2.94Å; K95-T99 VanDerWaalsContact O-N 3.15Å; R96-T99 PolarHBondContact NH1-OG1 2.63Å; R96-T99 WeakPolarHBondContact O-CB 3.39Å; R96-T99 PolarHBondContact O-N 2.9Å; R96-T99 PolarHBondContact O-OG1 2.72Å; I97-T99 PolarHBondContact O-N 2.97Å; T99-P101 WeakPolarHBondContact O-CD 3.1Å
100	I	94.7	Very high	94.5	Very high	8 Å²	8	46.2 Å²	46.2	4%	0.041	25%	0.251	C	S	.	.	S	Bend	trans	-79.2	121.2	178.7	-59.5	166.5	0	0	0	108	E31 V32 T35 I97 L98 L103	E31-I100 HydrophobicContact CG-CG2 4.15Å; E31-I100 WeakPolarHBondContact OE1-CG2 3.35Å; V32-I100 HydrophobicContact CB-CD1 4.31Å; V32-I100 HydrophobicContact CG2-CD1 3.91Å; T35-I100 HydrophobicContact CG2-CD1 3.87Å; T35-I100 HydrophobicContact CG2-CG1 4.2Å; I97-I100 WeakPolarHBondContact O-CB 3.31Å; I97-I100 PolarHBondContact O-N 2.94Å; I97-I100 VanDerWaalsContact O-N 3.09Å; L98-I100 PolarHBondContact O-N 3.38Å; I100-L103 HydrophobicContact CB-CD1 3.86Å; I100-L103 HydrophobicContact CG2-CD1 3.62Å; I100-L103 PolarHBondContact O-N 2.99Å
101	P	93.1	Very high	94.4	Very high	98 Å²	98	47 Å²	47	64%	0.636	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	140.7	-177.3	-25.1	34.3	0	0	0	112.3	K28 T99 L103	K28-P101 WeakPolarHBondContact CD-O 3.43Å; K28-P101 WeakPolarHBondContact CE-O 3.31Å; K28-P101 PolarHBondContact NZ-O 2.79Å; T99-P101 WeakPolarHBondContact O-CD 3.1Å; P101-L103 VanDerWaalsContact C-N 3.35Å
102	G	92.8	Very high	94.3	Very high	48 Å²	48	44.4 Å²	44.4	50%	0.495	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.1	1.4	-180	0	0	0	0	0	114.7	T6	T6-G102 PolarHBondContact N-O 2.76Å
103	L	95.7	Very high	94.1	Very high	19 Å²	19	42.2 Å²	42.2	10%	0.099	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	144.1	168.3	-79.5	80.3	0	0	0	111.8	T6 I24 K28 V32 I97 I100 P101	T6-L103 HydrophobicContact CG2-CD2 4.32Å; T6-L103 HydrophobicContact CG2-CG 4.07Å; T6-L103 VanDerWaalsContact O-CA 3.28Å; T6-L103 WeakPolarHBondContact O-CA 3.07Å; I24-L103 HydrophobicContact CG2-CD2 4.41Å; K28-L103 HydrophobicContact CB-CD1 3.75Å; K28-L103 HydrophobicContact CD-CD1 3.68Å; K28-L103 HydrophobicContact CG-CD1 4.37Å; V32-L103 HydrophobicContact CG2-CD1 4.38Å; V32-L103 HydrophobicContact CG2-CD2 3.38Å; V32-L103 HydrophobicContact CG2-CG 4.47Å; I97-L103 HydrophobicContact CG2-CD2 3.26Å; I100-L103 HydrophobicContact CB-CD1 3.86Å; I100-L103 HydrophobicContact CG2-CD1 3.62Å; I100-L103 PolarHBondContact O-N 2.99Å; P101-L103 VanDerWaalsContact C-N 3.35Å
104	R	95.7	Very high	94	Very high	68 Å²	68	43.1 Å²	43.1	26%	0.257	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	165.3	171.5	64.3	167.2	175.7	79.8	4.4	111.5	D5 T6 I7 V8 E110	D5-R104 IonicContact OD1-NH2 2.61Å; D5-R104 PolarHBondContact OD1-NH2 2.86Å; D5-R104 IonicContact OD2-CZ 3.02Å; D5-R104 IonicContact OD2-NE 3.79Å; D5-R104 PolarHBondContact OD2-NE 3.1Å; D5-R104 IonicContact OD2-NH2 3.66Å; D5-R104 PolarHBondContact OD2-NH2 3.25Å; T6-R104 PolarHBondContact O-N 2.76Å; T6-R104 VanDerWaalsContact O-N 3.11Å; I7-R104 CarbonylContact C-O 3.56Å; I7-R104 WeakPolarHBondContact CA-O 3.4Å; I7-R104 HydrophobicContact CG2-CG 4.12Å; I7-R104 VanDerWaalsContact CG2-CZ 3.5Å; I7-R104 VanDerWaalsContact CG2-NH1 3.33Å; V8-R104 WeakPolarHBondContact CG1-O 3.49Å; V8-R104 PolarHBondContact N-O 3.47Å; R104-E110 IonicContact CZ-OE1 3.18Å; R104-E110 IonicContact CZ-OE2 3.21Å; R104-E110 IonicContact NH1-OE1 3.82Å; R104-E110 PolarHBondContact NH1-OE1 3.28Å; R104-E110 IonicContact NH1-OE2 3.26Å; R104-E110 PolarHBondContact NH1-OE2 3.23Å; R104-E110 IonicContact NH2-OE1 2.95Å; R104-E110 PolarHBondContact NH2-OE1 3.44Å; R104-E110 IonicContact NH2-OE2 3.76Å
105	I	95.8	Very high	93.9	Very high	86 Å²	86	41.8 Å²	41.8	44%	0.441	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	135.8	171.6	-57.8	177.9	0	0	0	108.8	V8 L94 L98	V8-I105 CarbonylContact O-C 3.51Å; V8-I105 VanDerWaalsContact O-CA 3.31Å; V8-I105 WeakPolarHBondContact O-CA 3.34Å; L94-I105 HydrophobicContact CD2-CD1 4.2Å; L98-I105 HydrophobicContact CD1-CD1 4Å; L98-I105 HydrophobicContact CD1-CG1 3.78Å; L98-I105 HydrophobicContact CD2-CG1 4.12Å
106	A	94.8	Very high	93.7	Very high	11 Å²	11	37.4 Å²	37.4	9%	0.091	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-65	145.1	174.6	0	0	0	0	0	111.1	I7 V8 A9 E110 F111	I7-A106 HydrophobicContact CB-CB 3.89Å; I7-A106 HydrophobicContact CD1-CB 3.9Å; I7-A106 HydrophobicContact CG1-CB 4.4Å; I7-A106 HydrophobicContact CG2-CB 4.33Å; V8-A106 PolarHBondContact O-N 2.82Å; A9-A106 HydrophobicContact CB-CB 3.9Å; A106-E110 HydrophobicContact CB-CB 4.31Å; A106-F111 HydrophobicContact CB-CD2 4.19Å; A106-F111 HydrophobicContact CB-CE2 3.55Å; A106-F111 HydrophobicContact CB-CZ 4.24Å
107	R	91.8	Very high	93.5	Very high	101 Å²	101	40.9 Å²	40.9	38%	0.381	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-69.9	160	164.8	-59.4	177.7	-61.3	170.5	5.5	109.5	G109 E110 E113	R107-G109 PolarHBondContact O-N 3.36Å; R107-E110 HydrophobicContact CB-CB 4.18Å; R107-E110 WeakPolarHBondContact CB-OE2 3.41Å; R107-E110 WeakPolarHBondContact CG-OE2 3.33Å; R107-E110 PolarHBondContact N-OE2 3.45Å; R107-E110 IonicContact NE-OE2 2.66Å; R107-E110 VanDerWaalsContact O-CB 3.27Å; R107-E110 WeakPolarHBondContact O-CB 3.45Å; R107-E110 PolarHBondContact O-N 2.88Å; R107-E110 VanDerWaalsContact O-N 3.13Å; R107-E113 IonicContact CZ-OE1 3.37Å; R107-E113 IonicContact CZ-OE2 3.98Å; R107-E113 IonicContact NH2-OE1 3.28Å; R107-E113 PolarHBondContact NH2-OE1 3.33Å; R107-E113 IonicContact NH2-OE2 2.93Å; R107-E113 PolarHBondContact NH2-OE2 3.1Å
108	P	86.6	Confident	93.3	Very high	48 Å²	48	44.2 Å²	44.2	31%	0.312	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	131.9	169.3	-33.4	40.9	0	0	0	113.4	E110 F447 C451	P108-E110 PolarHBondContact O-N 3.32Å; P108-E110 VanDerWaalsContact O-N 3.11Å; P108-F447 CarbonylContact C-O 3.51Å; P108-F447 VanDerWaalsContact C-O 3.3Å; P108-F447 CarbonylContact O-C 3.6Å; P108-F447 VanDerWaalsContact O-O 3.09Å; P108-C451 WeakPolarHBondContact CA-SG 3.27Å; P108-C451 HydrophobicContact CB-CB 3.7Å; P108-C451 WeakPolarHBondContact CB-SG 3.34Å; P108-C451 HydrophobicContact CG-CB 4.22Å
109	G	89.2	Confident	93.1	Very high	11 Å²	11	48.7 Å²	48.7	11%	0.113	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.2	-0.2	-179.3	0	0	0	0	0	116.4	R107 F111 S112 E113 F447	R107-G109 PolarHBondContact O-N 3.36Å; G109-F111 VanDerWaalsContact C-N 3.27Å; G109-F111 PolarHBondContact O-N 3.12Å; G109-F111 VanDerWaalsContact O-N 3.15Å; G109-S112 PolarHBondContact O-N 2.9Å; G109-E113 PolarHBondContact O-N 3.46Å; G109-F447 WeakPolarHBondContact CA-O 3.36Å; G109-F447 PolarHBondContact N-O 3.43Å; G109-F447 WeakPolarHBondContact O-CD1 3.3Å
110	E	92.8	Very high	93	Very high	5 Å²	5	48.2 Å²	48.2	2%	0.023	26%	0.26	C	S	.	.	H	α-helix	trans	-63.2	-28.4	-169.7	-168.1	179.1	157.1	0	0	113.7	I7 R104 A106 R107 P108 S112 E113 R114	I7-E110 HydrophobicContact CD1-CB 4.23Å; I7-E110 HydrophobicContact CD1-CG 3.96Å; I7-E110 WeakPolarHBondContact CG2-OE1 3.25Å; R104-E110 IonicContact CZ-OE1 3.18Å; R104-E110 IonicContact CZ-OE2 3.21Å; R104-E110 IonicContact NH1-OE1 3.82Å; R104-E110 PolarHBondContact NH1-OE1 3.28Å; R104-E110 IonicContact NH1-OE2 3.26Å; R104-E110 PolarHBondContact NH1-OE2 3.23Å; R104-E110 IonicContact NH2-OE1 2.95Å; R104-E110 PolarHBondContact NH2-OE1 3.44Å; R104-E110 IonicContact NH2-OE2 3.76Å; A106-E110 HydrophobicContact CB-CB 4.31Å; R107-E110 HydrophobicContact CB-CB 4.18Å; R107-E110 WeakPolarHBondContact CB-OE2 3.41Å; R107-E110 WeakPolarHBondContact CG-OE2 3.33Å; R107-E110 PolarHBondContact N-OE2 3.45Å; R107-E110 IonicContact NE-OE2 2.66Å; R107-E110 VanDerWaalsContact O-CB 3.27Å; R107-E110 WeakPolarHBondContact O-CB 3.45Å; R107-E110 PolarHBondContact O-N 2.88Å; R107-E110 VanDerWaalsContact O-N 3.13Å; P108-E110 PolarHBondContact O-N 3.32Å; P108-E110 VanDerWaalsContact O-N 3.11Å; E110-S112 VanDerWaalsContact C-N 3.35Å; E110-E113 WeakPolarHBondContact O-CB 3.22Å; E110-E113 PolarHBondContact O-N 3.46Å; E110-R114 WeakPolarHBondContact O-CG 3.27Å; E110-R114 PolarHBondContact O-N 2.91Å; E110-R114 IonicContact OE1-CZ 2.82Å; E110-R114 IonicContact OE1-NE 3.14Å; E110-R114 PolarHBondContact OE1-NE 3.02Å; E110-R114 IonicContact OE1-NH2 3.19Å; E110-R114 PolarHBondContact OE1-NH2 2.86Å
111	F	94.1	Very high	92.9	Very high	24 Å²	24	49.3 Å²	49.3	11%	0.105	27%	0.265	C	S	.	.	H	α-helix	trans	-64.3	-41.2	173.7	-70.1	-88.3	0	0	0	111.8	I7 A9 R23 F73 T74 A106 G109 A115	I7-F111 HydrophobicContact CD1-CD1 3.99Å; I7-F111 HydrophobicContact CD1-CD2 4.19Å; I7-F111 HydrophobicContact CD1-CE1 3.86Å; I7-F111 HydrophobicContact CD1-CE2 4.04Å; I7-F111 HydrophobicContact CD1-CG 4.15Å; I7-F111 HydrophobicContact CD1-CZ 3.88Å; I7-F111 HydrophobicContact CG1-CE1 4.04Å; I7-F111 HydrophobicContact CG1-CZ 4.04Å; A9-F111 HydrophobicContact CB-CE2 3.77Å; A9-F111 HydrophobicContact CB-CZ 4.41Å; R23-F111 HydrophobicContact CB-CE1 4.14Å; R23-F111 HydrophobicContact CB-CZ 4.17Å; R23-F111 HydrophobicContact CG-CD1 4.07Å; R23-F111 HydrophobicContact CG-CE1 3.62Å; R23-F111 HydrophobicContact CG-CZ 4.17Å; R23-F111 WeakPolarHBondContact O-CZ 3.36Å; F73-F111 HydrophobicContact CD1-CB 4.45Å; F73-F111 HydrophobicContact CE1-CB 4.05Å; T74-F111 HydrophobicContact CG2-CB 4.15Å; T74-F111 HydrophobicContact CG2-CD1 3.85Å; T74-F111 WeakPolarHBondContact CG2-O 3.41Å; A106-F111 HydrophobicContact CB-CD2 4.19Å; A106-F111 HydrophobicContact CB-CE2 3.55Å; A106-F111 HydrophobicContact CB-CZ 4.24Å; G109-F111 VanDerWaalsContact C-N 3.27Å; G109-F111 PolarHBondContact O-N 3.12Å; G109-F111 VanDerWaalsContact O-N 3.15Å; F111-A115 PolarHBondContact O-N 2.8Å
112	S	92.2	Very high	93	Very high	12 Å²	12	46 Å²	46	8%	0.084	24%	0.242	C	C	.	.	H	α-helix	trans	-71.9	-34.4	175.5	-56.2	0	0	0	0	111	G109 E110 A115 F116 F447	G109-S112 PolarHBondContact O-N 2.9Å; E110-S112 VanDerWaalsContact C-N 3.35Å; S112-A115 WeakPolarHBondContact O-CB 3.39Å; S112-A115 PolarHBondContact O-N 3.33Å; S112-F116 PolarHBondContact O-N 2.94Å; S112-F447 VanDerWaalsContact C-CE1 3.42Å
113	E	92.3	Very high	93	Very high	26 Å²	26	43.7 Å²	43.7	12%	0.121	22%	0.219	C	C	.	.	H	α-helix	trans	-59.5	-47.1	172.6	-172.1	-176.7	-176	0	0	111	R107 G109 E110 A115 F116 L117 F447	R107-E113 IonicContact CZ-OE1 3.37Å; R107-E113 IonicContact CZ-OE2 3.98Å; R107-E113 IonicContact NH2-OE1 3.28Å; R107-E113 PolarHBondContact NH2-OE1 3.33Å; R107-E113 IonicContact NH2-OE2 2.93Å; R107-E113 PolarHBondContact NH2-OE2 3.1Å; G109-E113 PolarHBondContact O-N 3.46Å; E110-E113 WeakPolarHBondContact O-CB 3.22Å; E110-E113 PolarHBondContact O-N 3.46Å; E113-A115 VanDerWaalsContact C-N 3.34Å; E113-A115 PolarHBondContact O-N 3.17Å; E113-F116 WeakPolarHBondContact O-CB 3.27Å; E113-F116 PolarHBondContact O-N 3.01Å; E113-L117 HydrophobicContact CG-CD1 4.23Å; E113-L117 WeakPolarHBondContact O-CG 3.37Å; E113-L117 PolarHBondContact O-N 2.61Å; E113-F447 HydrophobicContact CB-CB 4.28Å; E113-F447 HydrophobicContact CB-CD1 3.9Å; E113-F447 HydrophobicContact CB-CD2 3.64Å; E113-F447 HydrophobicContact CB-CE1 4.14Å; E113-F447 HydrophobicContact CB-CE2 3.91Å; E113-F447 HydrophobicContact CB-CG 3.66Å; E113-F447 HydrophobicContact CB-CZ 4.16Å; E113-F447 HydrophobicContact CG-CD2 3.64Å; E113-F447 HydrophobicContact CG-CE2 3.91Å; E113-F447 HydrophobicContact CG-CG 4.13Å; E113-F447 VanDerWaalsContact N-CE1 3.26Å
114	R	92.8	Very high	93	Very high	21 Å²	21	43.1 Å²	43.1	8%	0.079	22%	0.216	C	C	.	.	H	α-helix	trans	-64.6	-37.3	175.1	-69.2	-170.7	-168.4	-143.5	-8.6	112.8	D5 T74 E76 E110 F116 L117 N118	D5-R114 PolarHBondContact O-NH1 2.88Å; D5-R114 IonicContact OD1-CZ 2.77Å; D5-R114 IonicContact OD1-NH1 2.7Å; D5-R114 IonicContact OD1-NH2 2.63Å; D5-R114 PolarHBondContact OD1-NH2 3.17Å; T74-R114 HydrophobicContact CG2-CB 4.4Å; T74-R114 CarbonylContact O-C 3.58Å; E76-R114 IonicContact OE1-NH1 3.18Å; E76-R114 PolarHBondContact OE1-NH1 3.4Å; E76-R114 VanDerWaalsContact OE1-NH1 3.09Å; E76-R114 WeakPolarHBondContact OE2-CD 3.45Å; E76-R114 IonicContact OE2-CZ 3.46Å; E76-R114 IonicContact OE2-NE 3.52Å; E76-R114 IonicContact OE2-NH1 3.67Å; E76-R114 PolarHBondContact OE2-NH1 2.6Å; E110-R114 WeakPolarHBondContact O-CG 3.27Å; E110-R114 PolarHBondContact O-N 2.91Å; E110-R114 IonicContact OE1-CZ 2.82Å; E110-R114 IonicContact OE1-NE 3.14Å; E110-R114 PolarHBondContact OE1-NE 3.02Å; E110-R114 IonicContact OE1-NH2 3.19Å; E110-R114 PolarHBondContact OE1-NH2 2.86Å; R114-F116 VanDerWaalsContact C-N 3.29Å; R114-F116 PolarHBondContact O-N 3.45Å; R114-L117 PolarHBondContact O-N 3.04Å; R114-N118 VanDerWaalsContact O-CB 3.3Å; R114-N118 WeakPolarHBondContact O-CB 3.33Å; R114-N118 PolarHBondContact O-N 2.9Å; R114-N118 PolarHBondContact O-ND2 3.19Å; R114-N118 VanDerWaalsContact O-ND2 3.15Å
115	A	94.3	Very high	93	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59.7	-43.3	173.6	0	0	0	0	0	111.1	F73 F111 S112 E113 N118 D119 K120 L121	F73-A115 HydrophobicContact CE1-CB 4.34Å; F73-A115 HydrophobicContact CZ-CB 4.37Å; F73-A115 WeakPolarHBondContact O-CB 3.45Å; F111-A115 PolarHBondContact O-N 2.8Å; S112-A115 WeakPolarHBondContact O-CB 3.39Å; S112-A115 PolarHBondContact O-N 3.33Å; E113-A115 VanDerWaalsContact C-N 3.34Å; E113-A115 PolarHBondContact O-N 3.17Å; A115-N118 PolarHBondContact O-N 3.49Å; A115-D119 PolarHBondContact O-N 3.25Å; A115-K120 HydrophobicContact CB-CB 4.12Å; A115-K120 WeakPolarHBondContact O-CA 3.45Å; A115-K120 WeakPolarHBondContact O-CB 3.34Å; A115-K120 PolarHBondContact O-N 2.78Å; A115-L121 HydrophobicContact CB-CD1 4.4Å
116	F	92.4	Very high	92.8	Very high	27 Å²	27	37.3 Å²	37.3	12%	0.118	19%	0.19	C	C	.	.	H	α-helix	trans	-63.1	-51.2	174.7	170.6	-104.4	0	0	0	112.3	S112 E113 R114 N118 D119 L121 L123 L443 F447	S112-F116 PolarHBondContact O-N 2.94Å; E113-F116 WeakPolarHBondContact O-CB 3.27Å; E113-F116 PolarHBondContact O-N 3.01Å; R114-F116 VanDerWaalsContact C-N 3.29Å; R114-F116 PolarHBondContact O-N 3.45Å; F116-N118 PolarHBondContact O-N 2.9Å; F116-D119 PolarHBondContact O-N 3.11Å; F116-L121 WeakPolarHBondContact CA-O 3.3Å; F116-L121 WeakPolarHBondContact CD2-O 3.31Å; F116-L123 HydrophobicContact CD2-CB 4.29Å; F116-L123 HydrophobicContact CE2-CB 3.91Å; F116-L123 HydrophobicContact CZ-CB 4.46Å; F116-L443 HydrophobicContact CD1-CD2 4.12Å; F116-L443 HydrophobicContact CE1-CD1 4.12Å; F116-L443 HydrophobicContact CE1-CD2 3.59Å; F116-L443 HydrophobicContact CZ-CD2 4.17Å; F116-F447 HydrophobicContact CB-CZ 3.97Å; F116-F447 HydrophobicContact CD1-CE2 4.45Å; F116-F447 HydrophobicContact CG-CZ 4.39Å
117	L	91.9	Very high	92.7	Very high	101 Å²	101	36.9 Å²	36.9	53%	0.529	19%	0.186	S	C	.	.	H	α-helix	trans	-63.9	-22.5	-179.5	-66.9	174.2	0	0	0	113.9	E113 R114	E113-L117 HydrophobicContact CG-CD1 4.23Å; E113-L117 WeakPolarHBondContact O-CG 3.37Å; E113-L117 PolarHBondContact O-N 2.61Å; R114-L117 PolarHBondContact O-N 3.04Å
118	N	93.1	Very high	92.9	Very high	70 Å²	70	32.1 Å²	32.1	37%	0.374	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	23.4	175.7	-68.3	-41	0	0	0	112.7	T74 R114 A115 F116 K120	T74-N118 WeakPolarHBondContact O-CB 3.37Å; T74-N118 PolarHBondContact O-ND2 3.13Å; R114-N118 VanDerWaalsContact O-CB 3.3Å; R114-N118 WeakPolarHBondContact O-CB 3.33Å; R114-N118 PolarHBondContact O-N 2.9Å; R114-N118 PolarHBondContact O-ND2 3.19Å; R114-N118 VanDerWaalsContact O-ND2 3.15Å; A115-N118 PolarHBondContact O-N 3.49Å; F116-N118 PolarHBondContact O-N 2.9Å; N118-K120 HydrophobicContact CB-CG 4.3Å; N118-K120 PolarHBondContact O-N 3.35Å
119	D	92.4	Very high	93.1	Very high	154 Å²	154	31.3 Å²	31.3	82%	0.824	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.2	29.4	175.7	-56.5	-50	0	0	0	113.9	A115 F116	A115-D119 PolarHBondContact O-N 3.25Å; F116-D119 PolarHBondContact O-N 3.11Å
120	K	93.8	Very high	93.1	Very high	75 Å²	75	31 Å²	31	33%	0.326	16%	0.158	S	C	.	.	S	Bend	trans	-82.2	-32.1	177.3	-56.7	-52.8	-55.8	-178.8	0	112.1	P70 A115 N118	P70-K120 PolarHBondContact O-NZ 3.48Å; A115-K120 HydrophobicContact CB-CB 4.12Å; A115-K120 WeakPolarHBondContact O-CA 3.45Å; A115-K120 WeakPolarHBondContact O-CB 3.34Å; A115-K120 PolarHBondContact O-N 2.78Å; N118-K120 HydrophobicContact CB-CG 4.3Å; N118-K120 PolarHBondContact O-N 3.35Å
121	L	94	Very high	93.1	Very high	30 Å²	30	31.2 Å²	31.2	16%	0.157	16%	0.159	C	C	.	.	S	Bend	trans	-147.7	148.3	-177.9	-62.6	174.1	0	0	0	107.7	F73 A115 F116 Q125 I129	F73-L121 HydrophobicContact CE2-CD1 4.19Å; A115-L121 HydrophobicContact CB-CD1 4.4Å; F116-L121 WeakPolarHBondContact CA-O 3.3Å; F116-L121 WeakPolarHBondContact CD2-O 3.31Å; L121-Q125 HydrophobicContact CB-CB 4.03Å; L121-Q125 HydrophobicContact CD2-CB 4.1Å; L121-I129 HydrophobicContact CD1-CD1 3.86Å
122	D	94.9	Very high	93	Very high	29 Å²	29	33 Å²	33	16%	0.155	17%	0.17	C	C	.	.			trans	-80.8	175.1	164.8	68	53.9	0	0	0	111.6	A124 Q125 A126 S153 T434	D122-A124 VanDerWaalsContact C-N 3.33Å; D122-A124 PolarHBondContact O-N 2.75Å; D122-A124 WeakPolarHBondContact OD1-CA 3.21Å; D122-A124 WeakPolarHBondContact OD1-CB 3.12Å; D122-A124 PolarHBondContact OD1-N 3.33Å; D122-Q125 PolarHBondContact O-N 3.36Å; D122-Q125 WeakPolarHBondContact OD1-CG 3.38Å; D122-Q125 PolarHBondContact OD1-N 2.76Å; D122-Q125 PolarHBondContact OD2-OE1 2.85Å; D122-A126 PolarHBondContact O-N 3.48Å; D122-S153 PolarHBondContact OD1-OG 3.13Å; D122-S153 VanDerWaalsContact OD1-OG 3.08Å; D122-S153 WeakPolarHBondContact OD2-CB 3.11Å; D122-S153 PolarHBondContact OD2-OG 2.97Å; D122-T434 WeakPolarHBondContact CB-O 3.36Å
123	L	93.3	Very high	92.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66	-34.2	-176.2	-172.5	60	0	0	0	112.8	F116 A126 E127 T434 T438 L443 I446 F447	F116-L123 HydrophobicContact CD2-CB 4.29Å; F116-L123 HydrophobicContact CE2-CB 3.91Å; F116-L123 HydrophobicContact CZ-CB 4.46Å; L123-A126 PolarHBondContact O-N 2.99Å; L123-E127 WeakPolarHBondContact O-CG 3.49Å; L123-E127 PolarHBondContact O-N 2.86Å; L123-T434 VanDerWaalsContact CB-O 3.29Å; L123-T434 WeakPolarHBondContact CB-O 3.36Å; L123-T434 PolarHBondContact N-O 3.43Å; L123-T438 HydrophobicContact CD2-CG2 3.97Å; L123-L443 HydrophobicContact CD1-CD2 3.88Å; L123-L443 HydrophobicContact CD2-CD2 4.23Å; L123-I446 HydrophobicContact CD1-CD1 4Å; L123-I446 HydrophobicContact CD1-CG2 4.09Å; L123-I446 HydrophobicContact CD2-CD1 3.79Å; L123-I446 HydrophobicContact CG-CD1 4.16Å; L123-F447 HydrophobicContact CD1-CE2 4.14Å; L123-F447 HydrophobicContact CD1-CZ 4.11Å
124	A	94.5	Very high	92.5	Very high	6 Å²	6	41 Å²	41	5%	0.05	21%	0.211	C	C	.	.	H	α-helix	trans	-70.7	-39.8	177.9	0	0	0	0	0	111.1	D122 E127 A128 F152 I433	D122-A124 VanDerWaalsContact C-N 3.33Å; D122-A124 PolarHBondContact O-N 2.75Å; D122-A124 WeakPolarHBondContact OD1-CA 3.21Å; D122-A124 WeakPolarHBondContact OD1-CB 3.12Å; D122-A124 PolarHBondContact OD1-N 3.33Å; A124-E127 PolarHBondContact O-N 3.39Å; A124-A128 PolarHBondContact O-N 3.21Å; A124-F152 HydrophobicContact CB-CD1 4.06Å; A124-I433 HydrophobicContact CB-CG2 4.35Å
125	Q	95.3	Very high	92.3	Very high	32 Å²	32	41.4 Å²	41.4	15%	0.15	22%	0.219	C	C	.	.	H	α-helix	trans	-64.7	-39.5	172.4	-68.9	-179	-65.4	0	0	112	L121 D122 A128 I129 L148	L121-Q125 HydrophobicContact CB-CB 4.03Å; L121-Q125 HydrophobicContact CD2-CB 4.1Å; D122-Q125 PolarHBondContact O-N 3.36Å; D122-Q125 WeakPolarHBondContact OD1-CG 3.38Å; D122-Q125 PolarHBondContact OD1-N 2.76Å; D122-Q125 PolarHBondContact OD2-OE1 2.85Å; Q125-A128 WeakPolarHBondContact O-CB 3.32Å; Q125-A128 PolarHBondContact O-N 3.31Å; Q125-I129 PolarHBondContact O-N 2.59Å; Q125-L148 PolarHBondContact NE2-O 3.37Å; Q125-L148 WeakPolarHBondContact O-CD1 3.49Å
126	A	92.7	Very high	91.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60	-50.3	174.4	0	0	0	0	0	110.6	D122 L123 A128 I129 F447 F450	D122-A126 PolarHBondContact O-N 3.48Å; L123-A126 PolarHBondContact O-N 2.99Å; A126-A128 PolarHBondContact O-N 2.53Å; A126-I129 VanDerWaalsContact O-CB 3.28Å; A126-I129 WeakPolarHBondContact O-CB 3.32Å; A126-I129 PolarHBondContact O-N 3.01Å; A126-F447 HydrophobicContact CB-CE1 3.88Å; A126-F447 HydrophobicContact CB-CZ 4.05Å; A126-F450 VanDerWaalsContact C-CZ 3.41Å; A126-F450 HydrophobicContact CB-CE1 4.38Å; A126-F450 HydrophobicContact CB-CZ 4.25Å; A126-F450 WeakPolarHBondContact O-CE1 3.43Å; A126-F450 WeakPolarHBondContact O-CZ 3.36Å
127	E	93.1	Very high	91.2	Very high	3 Å²	3	43.2 Å²	43.2	1%	0.014	24%	0.235	C	C	.	.	H	α-helix	trans	-57.3	-35.8	177.3	-76.3	179.8	131.6	0	0	113.2	L123 A124 I129 A130 D131 R389 R391 H392 I446 F450	L123-E127 WeakPolarHBondContact O-CG 3.49Å; L123-E127 PolarHBondContact O-N 2.86Å; A124-E127 PolarHBondContact O-N 3.39Å; E127-I129 PolarHBondContact O-N 3.09Å; E127-A130 PolarHBondContact O-N 2.96Å; E127-A130 VanDerWaalsContact O-N 3.1Å; E127-D131 PolarHBondContact O-N 2.86Å; E127-D131 VanDerWaalsContact O-N 3.08Å; E127-R389 PolarHBondContact O-NH2 3.24Å; E127-R389 VanDerWaalsContact OE1-CD 3.31Å; E127-R389 WeakPolarHBondContact OE1-CD 3.5Å; E127-R389 IonicContact OE1-CZ 3.8Å; E127-R389 IonicContact OE1-NE 2.75Å; E127-R389 IonicContact OE1-NH1 3.46Å; E127-R389 PolarHBondContact OE1-NH1 3.41Å; E127-R391 VanDerWaalsContact CD-NE 3.32Å; E127-R391 IonicContact OE1-CZ 3.54Å; E127-R391 IonicContact OE1-NE 2.7Å; E127-R391 PolarHBondContact OE1-NE 3.22Å; E127-R391 IonicContact OE1-NH2 3.54Å; E127-R391 IonicContact OE2-CZ 3.88Å; E127-R391 VanDerWaalsContact OE2-CZ 3.26Å; E127-R391 IonicContact OE2-NE 2.85Å; E127-R391 PolarHBondContact OE2-NE 3.47Å; E127-R391 IonicContact OE2-NH2 2.68Å; E127-R391 PolarHBondContact OE2-NH2 3.32Å; E127-H392 IonicContact OE2-CD2 3.64Å; E127-H392 IonicContact OE2-CE1 3.2Å; E127-H392 PolarHBondContact OE2-CE1 2.68Å; E127-H392 IonicContact OE2-NE2 3.53Å; E127-H392 PolarHBondContact OE2-NE2 2.73Å; E127-I446 HydrophobicContact CG-CG2 3.75Å; E127-F450 HydrophobicContact CG-CE2 4.37Å; E127-F450 HydrophobicContact CG-CZ 4.27Å
128	A	94.5	Very high	91	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.008	24%	0.239	C	C	.	.	H	α-helix	trans	-62.1	-23.2	176.1	0	0	0	0	0	113.7	A124 Q125 A126 D131 L132 S147 L148	A124-A128 PolarHBondContact O-N 3.21Å; Q125-A128 WeakPolarHBondContact O-CB 3.32Å; Q125-A128 PolarHBondContact O-N 3.31Å; A126-A128 PolarHBondContact O-N 2.53Å; A128-D131 PolarHBondContact O-N 3.21Å; A128-L132 WeakPolarHBondContact O-CB 3.46Å; A128-L132 PolarHBondContact O-N 2.94Å; A128-S147 VanDerWaalsContact CB-CB 3.46Å; A128-L148 HydrophobicContact CB-CB 3.97Å
129	I	91.7	Very high	90.7	Very high	30 Å²	30	43.6 Å²	43.6	15%	0.154	23%	0.232	C	C	.	.	H	α-helix	trans	-64.4	-47.9	172.7	-60.2	176.2	0	0	0	110.1	F73 L121 Q125 A126 E127 D131 L132 I133 L148	F73-I129 HydrophobicContact CE2-CD1 3.85Å; F73-I129 HydrophobicContact CZ-CD1 3.71Å; L121-I129 HydrophobicContact CD1-CD1 3.86Å; Q125-I129 PolarHBondContact O-N 2.59Å; A126-I129 VanDerWaalsContact O-CB 3.28Å; A126-I129 WeakPolarHBondContact O-CB 3.32Å; A126-I129 PolarHBondContact O-N 3.01Å; E127-I129 PolarHBondContact O-N 3.09Å; I129-D131 VanDerWaalsContact C-N 3.33Å; I129-L132 PolarHBondContact O-N 3.43Å; I129-I133 HydrophobicContact CG2-CD1 4.02Å; I129-I133 VanDerWaalsContact O-CG1 3.31Å; I129-I133 WeakPolarHBondContact O-CG1 3.22Å; I129-I133 PolarHBondContact O-N 3.15Å; I129-I133 VanDerWaalsContact O-N 3.1Å; I129-L148 HydrophobicContact CD1-CD1 4.33Å; I129-L148 HydrophobicContact CG1-CD1 3.61Å
130	A	89.5	Confident	90.6	Very high	6 Å²	6	36.4 Å²	36.4	5%	0.05	19%	0.194	C	C	.	.	H	α-helix	trans	-64.2	-43.4	177.8	0	0	0	0	0	110.2	E127 L132 I133 D134 F450	E127-A130 PolarHBondContact O-N 2.96Å; E127-A130 VanDerWaalsContact O-N 3.1Å; A130-L132 VanDerWaalsContact C-N 3.27Å; A130-L132 PolarHBondContact O-N 2.97Å; A130-I133 PolarHBondContact O-N 2.95Å; A130-I133 VanDerWaalsContact O-N 3.16Å; A130-D134 WeakPolarHBondContact O-CB 3.49Å; A130-D134 PolarHBondContact O-N 3.43Å; A130-F450 HydrophobicContact CB-CD1 4.21Å; A130-F450 HydrophobicContact CB-CD2 4.15Å; A130-F450 HydrophobicContact CB-CE1 4.42Å; A130-F450 HydrophobicContact CB-CE2 4.34Å; A130-F450 HydrophobicContact CB-CG 4.12Å
131	D	91.7	Very high	90.5	Very high	9 Å²	9	34.3 Å²	34.3	5%	0.048	19%	0.19	C	C	.	.	H	α-helix	trans	-65.9	-29.9	179.6	-59	-28.5	0	0	0	112.5	E127 A128 I129 A135 A144 R214 L387 R389	E127-D131 PolarHBondContact O-N 2.86Å; E127-D131 VanDerWaalsContact O-N 3.08Å; A128-D131 PolarHBondContact O-N 3.21Å; I129-D131 VanDerWaalsContact C-N 3.33Å; D131-A135 WeakPolarHBondContact O-CA 3.43Å; D131-A135 WeakPolarHBondContact O-CB 3.28Å; D131-A135 PolarHBondContact O-N 3.23Å; D131-A144 HydrophobicContact CB-CB 4.31Å; D131-R214 IonicContact OD1-CZ 2.84Å; D131-R214 IonicContact OD1-NE 2.68Å; D131-R214 PolarHBondContact OD1-NE 3.3Å; D131-R214 IonicContact OD1-NH2 3.3Å; D131-R214 PolarHBondContact OD1-NH2 2.89Å; D131-R214 IonicContact OD2-NE 3.94Å; D131-L387 HydrophobicContact CB-CD1 3.66Å; D131-R389 IonicContact OD1-CZ 2.88Å; D131-R389 IonicContact OD1-NE 3.12Å; D131-R389 PolarHBondContact OD1-NE 3.36Å; D131-R389 IonicContact OD1-NH2 3.58Å; D131-R389 PolarHBondContact OD1-NH2 3.43Å; D131-R389 IonicContact OD2-CZ 3.87Å; D131-R389 IonicContact OD2-NE 2.89Å; D131-R389 PolarHBondContact OD2-NE 2.92Å; D131-R389 IonicContact OD2-NH2 3.37Å
132	L	92.2	Very high	90.4	Very high	62 Å²	62	40.4 Å²	40.4	33%	0.325	21%	0.211	S	C	.	.	H	α-helix	trans	-71.9	-37.9	173.9	-179.6	62.4	0	0	0	112.2	A128 I129 A130 A141 A144 L148	A128-L132 WeakPolarHBondContact O-CB 3.46Å; A128-L132 PolarHBondContact O-N 2.94Å; I129-L132 PolarHBondContact O-N 3.43Å; A130-L132 VanDerWaalsContact C-N 3.27Å; A130-L132 PolarHBondContact O-N 2.97Å; L132-A141 HydrophobicContact CD1-CB 4.37Å; L132-A141 WeakPolarHBondContact CD1-O 3.44Å; L132-A144 HydrophobicContact CB-CB 3.81Å; L132-A144 HydrophobicContact CD1-CB 4.13Å; L132-L148 HydrophobicContact CD2-CD2 4.08Å
133	I	88	Confident	90.3	Very high	111 Å²	111	39.3 Å²	39.3	57%	0.569	21%	0.206	S	C	*	.	H	α-helix	trans	-69.9	-40.6	177.1	-64.8	165	0	0	0	110.5	I129 A130 A135 I452	I129-I133 HydrophobicContact CG2-CD1 4.02Å; I129-I133 VanDerWaalsContact O-CG1 3.31Å; I129-I133 WeakPolarHBondContact O-CG1 3.22Å; I129-I133 PolarHBondContact O-N 3.15Å; I129-I133 VanDerWaalsContact O-N 3.1Å; A130-I133 PolarHBondContact O-N 2.95Å; A130-I133 VanDerWaalsContact O-N 3.16Å; I133-A135 VanDerWaalsContact C-N 3.31Å; I133-I452 HydrophobicContact CB-CD1 4.42Å; I133-I452 HydrophobicContact CG2-CD1 3.39Å
134	D	86.1	Confident	90.4	Very high	93 Å²	93	39.3 Å²	39.3	50%	0.497	21%	0.206	S	C	.	.	S	Bend	trans	-85.7	0.2	-178.4	-68	-27.6	0	0	0	113.5	A130 S136 I452	A130-D134 WeakPolarHBondContact O-CB 3.49Å; A130-D134 PolarHBondContact O-N 3.43Å; D134-S136 PolarHBondContact O-N 2.69Å; D134-I452 WeakPolarHBondContact OD1-CD1 3.3Å
135	A	88.1	Confident	90.4	Very high	31 Å²	31	42.5 Å²	42.5	26%	0.256	22%	0.222	S	C	.	.			trans	-60.3	114	-176.8	0	0	0	0	0	111.4	D131 I133 A140 A141	D131-A135 WeakPolarHBondContact O-CA 3.43Å; D131-A135 WeakPolarHBondContact O-CB 3.28Å; D131-A135 PolarHBondContact O-N 3.23Å; I133-A135 VanDerWaalsContact C-N 3.31Å; A135-A140 HydrophobicContact CB-CB 4.26Å; A135-A141 HydrophobicContact CB-CB 3.72Å
136	S	82.1	Confident	90.4	Very high	52 Å²	52	43 Å²	43	36%	0.364	23%	0.226	S	C	.	.			trans	-90.2	-11.7	-179	67.3	0	0	0	0	113.9	D134 H260	D134-S136 PolarHBondContact O-N 2.69Å; S136-H260 VanDerWaalsContact C-NE2 3.34Å; S136-H260 WeakPolarHBondContact CB-NE2 3.36Å; S136-H260 PolarHBondContact O-CE1 3.44Å; S136-H260 PolarHBondContact O-NE2 2.67Å; S136-H260 PolarHBondContact OG-NE2 3.28Å
137	S	83	Confident	90.6	Very high	13 Å²	13	43.2 Å²	43.2	9%	0.091	23%	0.227	C	C	.	.	S	Bend	trans	-131	155.6	178	77	0	0	0	0	111.5	Q139 A140 A141 G263	S137-Q139 PolarHBondContact O-N 3.34Å; S137-A140 PolarHBondContact O-N 3.46Å; S137-A140 WeakPolarHBondContact OG-CB 3.5Å; S137-A140 PolarHBondContact OG-N 3.22Å; S137-A140 VanDerWaalsContact OG-N 3.09Å; S137-A141 PolarHBondContact O-N 3.09Å; S137-G263 VanDerWaalsContact CB-O 3.31Å; S137-G263 WeakPolarHBondContact CB-O 3.39Å; S137-G263 PolarHBondContact OG-O 2.84Å
138	E	86.8	Confident	90.6	Very high	132 Å²	132	45 Å²	45	62%	0.617	24%	0.237	S	C	*	.	H	α-helix	trans	-58.7	-39.5	176.4	-179	174	-175.6	0	0	111.7	A141 R142	E138-A141 PolarHBondContact O-N 3.34Å; E138-R142 HydrophobicContact CG-CG 4.46Å; E138-R142 WeakPolarHBondContact O-CB 3.48Å; E138-R142 VanDerWaalsContact O-CG 3.32Å; E138-R142 WeakPolarHBondContact O-CG 3.32Å; E138-R142 PolarHBondContact O-N 3.32Å; E138-R142 IonicContact OE1-CZ 3.48Å; E138-R142 IonicContact OE1-NE 2.75Å; E138-R142 PolarHBondContact OE1-NE 3.3Å; E138-R142 VanDerWaalsContact OE1-NE 3.14Å; E138-R142 IonicContact OE1-NH2 3.3Å; E138-R142 PolarHBondContact OE1-NH2 2.68Å
139	Q	87.7	Confident	90.7	Very high	47 Å²	47	51.6 Å²	51.6	22%	0.22	27%	0.267	C	S	.	.	H	α-helix	trans	-65.7	-43.5	177.8	-168.9	174	3.1	0	0	111.5	S137 A141 R142 S143 L213 D262	S137-Q139 PolarHBondContact O-N 3.34Å; Q139-A141 VanDerWaalsContact C-N 3.33Å; Q139-A141 PolarHBondContact O-N 3.06Å; Q139-R142 PolarHBondContact O-N 3.33Å; Q139-S143 WeakPolarHBondContact O-CB 3.48Å; Q139-S143 PolarHBondContact O-N 3.1Å; Q139-S143 PolarHBondContact O-OG 3.13Å; Q139-L213 HydrophobicContact CB-CD2 4.32Å; Q139-L213 HydrophobicContact CG-CD1 3.89Å; Q139-L213 HydrophobicContact CG-CD2 3.96Å; Q139-D262 PolarHBondContact OE1-O 2.93Å; Q139-D262 VanDerWaalsContact OE1-O 3.1Å
140	A	89.6	Confident	90.9	Very high	2 Å²	2	50.7 Å²	50.7	2%	0.017	27%	0.266	C	S	.	.	H	α-helix	trans	-61	-42.8	174.5	0	0	0	0	0	111.5	A135 S137 S143 A144	A135-A140 HydrophobicContact CB-CB 4.26Å; S137-A140 PolarHBondContact O-N 3.46Å; S137-A140 WeakPolarHBondContact OG-CB 3.5Å; S137-A140 PolarHBondContact OG-N 3.22Å; S137-A140 VanDerWaalsContact OG-N 3.09Å; A140-S143 PolarHBondContact O-N 3.42Å; A140-A144 VanDerWaalsContact O-CB 3.31Å; A140-A144 WeakPolarHBondContact O-CB 3.48Å; A140-A144 PolarHBondContact O-N 3.11Å
141	A	91.7	Very high	91.2	Very high	31 Å²	31	52.3 Å²	52.3	26%	0.256	28%	0.278	S	S	.	.	H	α-helix	trans	-63.7	-43	178.1	0	0	0	0	0	112.2	L132 A135 S137 E138 Q139 A144 L145	L132-A141 HydrophobicContact CD1-CB 4.37Å; L132-A141 WeakPolarHBondContact CD1-O 3.44Å; A135-A141 HydrophobicContact CB-CB 3.72Å; S137-A141 PolarHBondContact O-N 3.09Å; E138-A141 PolarHBondContact O-N 3.34Å; Q139-A141 VanDerWaalsContact C-N 3.33Å; Q139-A141 PolarHBondContact O-N 3.06Å; A141-A144 PolarHBondContact O-N 3.16Å; A141-L145 WeakPolarHBondContact O-CB 3.44Å; A141-L145 PolarHBondContact O-N 3.1Å
142	R	92.1	Very high	91.4	Very high	158 Å²	158	52 Å²	52	60%	0.596	28%	0.277	S	S	*	.	H	α-helix	trans	-63.5	-44.8	175.6	-72.4	177	-178.9	-161.5	2.1	111.6	E138 Q139 L145 N146	E138-R142 HydrophobicContact CG-CG 4.46Å; E138-R142 WeakPolarHBondContact O-CB 3.48Å; E138-R142 VanDerWaalsContact O-CG 3.32Å; E138-R142 WeakPolarHBondContact O-CG 3.32Å; E138-R142 PolarHBondContact O-N 3.32Å; E138-R142 IonicContact OE1-CZ 3.48Å; E138-R142 IonicContact OE1-NE 2.75Å; E138-R142 PolarHBondContact OE1-NE 3.3Å; E138-R142 VanDerWaalsContact OE1-NE 3.14Å; E138-R142 IonicContact OE1-NH2 3.3Å; E138-R142 PolarHBondContact OE1-NH2 2.68Å; Q139-R142 PolarHBondContact O-N 3.33Å; R142-L145 PolarHBondContact O-N 2.86Å; R142-N146 PolarHBondContact O-N 2.92Å
143	S	93	Very high	91.6	Very high	7 Å²	7	49.1 Å²	49.1	5%	0.049	26%	0.262	C	S	.	.	H	α-helix	trans	-67	-36.9	176.9	-71.9	0	0	0	0	112.7	Q139 A140 L145 N146 S147 G385	Q139-S143 WeakPolarHBondContact O-CB 3.48Å; Q139-S143 PolarHBondContact O-N 3.1Å; Q139-S143 PolarHBondContact O-OG 3.13Å; A140-S143 PolarHBondContact O-N 3.42Å; S143-L145 VanDerWaalsContact C-N 3.34Å; S143-N146 PolarHBondContact O-N 2.95Å; S143-S147 PolarHBondContact O-N 2.87Å; S143-S147 PolarHBondContact O-OG 3.35Å; S143-G385 WeakPolarHBondContact CA-O 3.27Å; S143-G385 WeakPolarHBondContact CB-O 3.35Å; S143-G385 PolarHBondContact OG-O 3.11Å; S143-G385 VanDerWaalsContact OG-O 3.06Å
144	A	94.2	Very high	92	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.2	-42	173	0	0	0	0	0	111.3	D131 L132 A140 A141 N146 S147 L148 L387	D131-A144 HydrophobicContact CB-CB 4.31Å; L132-A144 HydrophobicContact CB-CB 3.81Å; L132-A144 HydrophobicContact CD1-CB 4.13Å; A140-A144 VanDerWaalsContact O-CB 3.31Å; A140-A144 WeakPolarHBondContact O-CB 3.48Å; A140-A144 PolarHBondContact O-N 3.11Å; A141-A144 PolarHBondContact O-N 3.16Å; A144-N146 PolarHBondContact O-N 3.3Å; A144-S147 WeakPolarHBondContact O-CB 3.34Å; A144-S147 PolarHBondContact O-N 2.96Å; A144-L148 WeakPolarHBondContact O-CB 3.31Å; A144-L148 PolarHBondContact O-N 2.79Å; A144-L387 HydrophobicContact CB-CD1 3.65Å; A144-L387 HydrophobicContact CB-CG 4.39Å
145	L	95	Very high	92.5	Very high	73 Å²	73	47.2 Å²	47.2	38%	0.382	25%	0.253	S	S	.	.	H	α-helix	trans	-63.1	-41.1	175.4	-176	63	0	0	0	111.9	A141 R142 S143 L148 Q149	A141-L145 WeakPolarHBondContact O-CB 3.44Å; A141-L145 PolarHBondContact O-N 3.1Å; R142-L145 PolarHBondContact O-N 2.86Å; S143-L145 VanDerWaalsContact C-N 3.34Å; L145-L148 PolarHBondContact O-N 2.74Å; L145-Q149 WeakPolarHBondContact O-CG 3.3Å; L145-Q149 PolarHBondContact O-N 2.78Å
146	N	95.4	Very high	93	Very high	43 Å²	43	45.7 Å²	45.7	23%	0.23	24%	0.241	C	C	.	.	H	α-helix	trans	-61.6	-44.7	173.9	-70.5	-11	0	0	0	111.5	R142 S143 A144 L148 Q149 G150 A151 G384 G385	R142-N146 PolarHBondContact O-N 2.92Å; S143-N146 PolarHBondContact O-N 2.95Å; A144-N146 PolarHBondContact O-N 3.3Å; N146-L148 VanDerWaalsContact C-N 3.34Å; N146-L148 PolarHBondContact O-N 2.79Å; N146-Q149 PolarHBondContact O-N 3.13Å; N146-G150 PolarHBondContact O-N 3.02Å; N146-A151 HydrophobicContact CB-CB 4.14Å; N146-A151 WeakPolarHBondContact O-CB 3.39Å; N146-A151 PolarHBondContact O-N 3.38Å; N146-G384 PolarHBondContact ND2-O 3.06Å; N146-G385 PolarHBondContact ND2-O 3.33Å
147	S	96.4	Very high	93.6	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-58.5	-45.7	173.5	-62.7	0	0	0	0	111.5	A128 S143 A144 Q149 G150 F386 L387	A128-S147 VanDerWaalsContact CB-CB 3.46Å; S143-S147 PolarHBondContact O-N 2.87Å; S143-S147 PolarHBondContact O-OG 3.35Å; A144-S147 WeakPolarHBondContact O-CB 3.34Å; A144-S147 PolarHBondContact O-N 2.96Å; S147-Q149 VanDerWaalsContact C-N 3.28Å; S147-Q149 PolarHBondContact O-N 3.37Å; S147-G150 WeakPolarHBondContact O-CA 3.36Å; S147-G150 PolarHBondContact O-N 2.92Å; S147-F386 VanDerWaalsContact OG-CB 3.26Å; S147-F386 WeakPolarHBondContact OG-CB 3.49Å; S147-L387 PolarHBondContact OG-N 2.91Å; S147-L387 PolarHBondContact OG-O 2.77Å
148	L	94.7	Very high	94.3	Very high	42 Å²	42	51 Å²	51	22%	0.22	26%	0.261	C	S	.	.	H	α-helix	trans	-62.2	-35	178.2	-179.5	60.8	0	0	0	112.2	Q125 A128 I129 L132 A144 L145 N146 G150	Q125-L148 PolarHBondContact NE2-O 3.37Å; Q125-L148 WeakPolarHBondContact O-CD1 3.49Å; A128-L148 HydrophobicContact CB-CB 3.97Å; I129-L148 HydrophobicContact CD1-CD1 4.33Å; I129-L148 HydrophobicContact CG1-CD1 3.61Å; L132-L148 HydrophobicContact CD2-CD2 4.08Å; A144-L148 WeakPolarHBondContact O-CB 3.31Å; A144-L148 PolarHBondContact O-N 2.79Å; L145-L148 PolarHBondContact O-N 2.74Å; N146-L148 VanDerWaalsContact C-N 3.34Å; N146-L148 PolarHBondContact O-N 2.79Å; L148-G150 PolarHBondContact O-N 3.31Å
149	Q	95.4	Very high	94.9	Very high	138 Å²	138	44.8 Å²	44.8	65%	0.645	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	0	173.4	-71.3	178.2	-2.5	0	0	113.7	L145 N146 S147	L145-Q149 WeakPolarHBondContact O-CG 3.3Å; L145-Q149 PolarHBondContact O-N 2.78Å; N146-Q149 PolarHBondContact O-N 3.13Å; S147-Q149 VanDerWaalsContact C-N 3.28Å; S147-Q149 PolarHBondContact O-N 3.37Å
150	G	95.4	Very high	95.3	Very high	12 Å²	12	43.2 Å²	43.2	12%	0.124	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.3	13.1	175.2	0	0	0	0	0	114.3	N146 S147 L148 F152 S153 A154	N146-G150 PolarHBondContact O-N 3.02Å; S147-G150 WeakPolarHBondContact O-CA 3.36Å; S147-G150 PolarHBondContact O-N 2.92Å; L148-G150 PolarHBondContact O-N 3.31Å; G150-F152 VanDerWaalsContact C-N 3.33Å; G150-F152 PolarHBondContact O-N 3.33Å; G150-S153 PolarHBondContact O-N 2.84Å; G150-A154 VanDerWaalsContact O-CB 3.3Å; G150-A154 WeakPolarHBondContact O-CB 3.48Å; G150-A154 PolarHBondContact O-N 3.16Å
151	A	95.9	Very high	95.7	Very high	39 Å²	39	48.5 Å²	48.5	32%	0.322	25%	0.25	S	C	.	.	H	α-helix	trans	-59.6	-43	-179.4	0	0	0	0	0	112.2	N146 R155	N146-A151 HydrophobicContact CB-CB 4.14Å; N146-A151 WeakPolarHBondContact O-CB 3.39Å; N146-A151 PolarHBondContact O-N 3.38Å; A151-R155 WeakPolarHBondContact O-CG 3.47Å; A151-R155 PolarHBondContact O-N 2.83Å
152	F	96.8	Very high	96	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.009	25%	0.248	C	C	.	.	H	α-helix	trans	-66.9	-48.9	176.8	-175.5	-153.3	0	0	0	111.5	A124 G150 A154 R155 V156 V203 F386 H392 I433	A124-F152 HydrophobicContact CB-CD1 4.06Å; G150-F152 VanDerWaalsContact C-N 3.33Å; G150-F152 PolarHBondContact O-N 3.33Å; F152-A154 VanDerWaalsContact C-N 3.27Å; F152-A154 PolarHBondContact O-N 2.89Å; F152-R155 WeakPolarHBondContact O-CB 3.39Å; F152-R155 PolarHBondContact O-N 2.84Å; F152-V156 HydrophobicContact CD2-CG2 3.9Å; F152-V156 HydrophobicContact CE2-CG2 3.53Å; F152-V156 HydrophobicContact CZ-CG2 3.98Å; F152-V156 PolarHBondContact O-N 3.22Å; F152-V203 HydrophobicContact CE2-CG1 4.31Å; F152-F386 HydrophobicContact CB-CB 3.77Å; F152-F386 HydrophobicContact CB-CD1 4.05Å; F152-F386 HydrophobicContact CB-CD2 3.68Å; F152-F386 HydrophobicContact CB-CE2 4.3Å; F152-F386 HydrophobicContact CB-CG 3.55Å; F152-F386 HydrophobicContact CD1-CD2 4.16Å; F152-F386 HydrophobicContact CD1-CE2 4.47Å; F152-F386 HydrophobicContact CD2-CD1 4.23Å; F152-F386 AromaticContact CD2-CD2 3.42Å; F152-F386 HydrophobicContact CD2-CD2 3.42Å; F152-F386 VanDerWaalsContact CD2-CD2 3.42Å; F152-F386 AromaticContact CD2-CE1 4Å; F152-F386 HydrophobicContact CD2-CE1 4Å; F152-F386 AromaticContact CD2-CE2 3.13Å; F152-F386 HydrophobicContact CD2-CE2 3.13Å; F152-F386 AromaticContact CD2-CG 3.98Å; F152-F386 HydrophobicContact CD2-CG 3.98Å; F152-F386 AromaticContact CD2-CZ 3.47Å; F152-F386 HydrophobicContact CD2-CZ 3.47Å; F152-F386 VanDerWaalsContact CD2-CZ 3.47Å; F152-F386 HydrophobicContact CE2-CD2 4.08Å; F152-F386 AromaticContact CE2-CE2 3.45Å; F152-F386 HydrophobicContact CE2-CE2 3.45Å; F152-F386 VanDerWaalsContact CE2-CE2 3.45Å; F152-F386 AromaticContact CE2-CZ 3.87Å; F152-F386 HydrophobicContact CE2-CZ 3.87Å; F152-F386 HydrophobicContact CG-CD1 4.47Å; F152-F386 AromaticContact CG-CD2 3.48Å; F152-F386 HydrophobicContact CG-CD2 3.48Å; F152-F386 VanDerWaalsContact CG-CD2 3.48Å; F152-F386 AromaticContact CG-CE2 3.73Å; F152-F386 HydrophobicContact CG-CE2 3.73Å; F152-F386 AromaticContact CG-CG 3.9Å; F152-F386 HydrophobicContact CG-CG 3.9Å; F152-F386 HydrophobicContact CG-CZ 4.34Å; F152-F386 HydrophobicContact CZ-CE2 4.25Å; F152-H392 HydrophobicContact CE1-CB 3.92Å; F152-H392 AromaticContact CE1-CD2 3.99Å; F152-H392 AromaticContact CE1-CE1 3.97Å; F152-H392 AromaticContact CE1-CG 3.6Å; F152-H392 AromaticContact CE1-ND1 3.62Å; F152-H392 HydrophobicContact CZ-CB 3.9Å; F152-I433 HydrophobicContact CD1-CG2 4.26Å; F152-I433 HydrophobicContact CE1-CG2 3.46Å; F152-I433 VanDerWaalsContact CE1-CG2 3.46Å; F152-I433 HydrophobicContact CZ-CD1 4.26Å; F152-I433 HydrophobicContact CZ-CG2 3.67Å
153	S	96.4	Very high	96.2	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-58.4	-39.5	179.6	-45.2	0	0	0	0	112.3	D122 G150 R155 V156 N157	D122-S153 PolarHBondContact OD1-OG 3.13Å; D122-S153 VanDerWaalsContact OD1-OG 3.08Å; D122-S153 WeakPolarHBondContact OD2-CB 3.11Å; D122-S153 PolarHBondContact OD2-OG 2.97Å; G150-S153 PolarHBondContact O-N 2.84Å; S153-R155 VanDerWaalsContact C-N 3.35Å; S153-R155 PolarHBondContact O-N 2.74Å; S153-V156 PolarHBondContact O-N 2.86Å; S153-N157 VanDerWaalsContact O-CB 3.28Å; S153-N157 WeakPolarHBondContact O-CB 3.48Å; S153-N157 PolarHBondContact O-N 3.4Å; S153-N157 PolarHBondContact O-ND2 3.1Å
154	A	96.4	Very high	96.3	Very high	60 Å²	60	42.8 Å²	42.8	50%	0.496	23%	0.232	S	C	.	.	H	α-helix	trans	-61.6	-41.2	175.3	0	0	0	0	0	112.2	G150 F152 H158	G150-A154 VanDerWaalsContact O-CB 3.3Å; G150-A154 WeakPolarHBondContact O-CB 3.48Å; G150-A154 PolarHBondContact O-N 3.16Å; F152-A154 VanDerWaalsContact C-N 3.27Å; F152-A154 PolarHBondContact O-N 2.89Å; A154-H158 WeakPolarHBondContact O-CB 3.37Å; A154-H158 PolarHBondContact O-N 3.26Å
155	R	96.3	Very high	96.3	Very high	103 Å²	103	47.4 Å²	47.4	39%	0.389	25%	0.253	S	S	.	.	H	α-helix	trans	-64.9	-42.5	175.3	-66.4	-65.5	-165.7	101.4	17.3	111.8	A151 F152 S153 H158 L159 V203 E206 F386	A151-R155 WeakPolarHBondContact O-CG 3.47Å; A151-R155 PolarHBondContact O-N 2.83Å; F152-R155 WeakPolarHBondContact O-CB 3.39Å; F152-R155 PolarHBondContact O-N 2.84Å; S153-R155 VanDerWaalsContact C-N 3.35Å; S153-R155 PolarHBondContact O-N 2.74Å; R155-H158 PolarHBondContact O-N 3.03Å; R155-L159 PolarHBondContact O-N 3.34Å; R155-V203 HydrophobicContact CB-CG2 4.01Å; R155-E206 IonicContact CZ-OE1 3.31Å; R155-E206 VanDerWaalsContact CZ-OE1 3.27Å; R155-E206 IonicContact CZ-OE2 3.57Å; R155-E206 IonicContact NH1-OE1 3.58Å; R155-E206 PolarHBondContact NH1-OE1 3.35Å; R155-E206 IonicContact NH1-OE2 2.87Å; R155-E206 IonicContact NH2-OE1 2.95Å; R155-E206 PolarHBondContact NH2-OE1 2.94Å; R155-E206 IonicContact NH2-OE2 2.78Å; R155-E206 PolarHBondContact NH2-OE2 3.29Å; R155-E206 VanDerWaalsContact NH2-OE2 3.12Å; R155-F386 HydrophobicContact CG-CE1 4.1Å
156	V	97.5	Very high	96.2	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-66.1	-46.3	177.4	175.1	0	0	0	0	111.1	F152 S153 H158 L159 V160 L430 I433 T434	F152-V156 HydrophobicContact CD2-CG2 3.9Å; F152-V156 HydrophobicContact CE2-CG2 3.53Å; F152-V156 HydrophobicContact CZ-CG2 3.98Å; F152-V156 PolarHBondContact O-N 3.22Å; S153-V156 PolarHBondContact O-N 2.86Å; V156-H158 VanDerWaalsContact C-N 3.27Å; V156-H158 PolarHBondContact O-N 3.38Å; V156-L159 WeakPolarHBondContact O-CB 3.42Å; V156-L159 PolarHBondContact O-N 3.27Å; V156-L159 VanDerWaalsContact O-N 3.11Å; V156-V160 HydrophobicContact CG1-CG2 4.42Å; V156-V160 WeakPolarHBondContact O-CG2 3.29Å; V156-V160 PolarHBondContact O-N 3.33Å; V156-L430 HydrophobicContact CG1-CB 4.22Å; V156-L430 WeakPolarHBondContact CG1-O 3.48Å; V156-I433 HydrophobicContact CG1-CB 4.3Å; V156-I433 HydrophobicContact CG1-CD1 4.38Å; V156-I433 HydrophobicContact CG2-CB 4.45Å; V156-I433 HydrophobicContact CG2-CD1 4.02Å; V156-I433 HydrophobicContact CG2-CG2 4.06Å; V156-T434 HydrophobicContact CB-CG2 4.45Å; V156-T434 HydrophobicContact CG1-CG2 4.23Å
157	N	96.5	Very high	96.1	Very high	72 Å²	72	44.4 Å²	44.4	39%	0.385	23%	0.234	S	C	.	.	H	α-helix	trans	-62.7	-35.9	179	-70.3	-16.1	0	0	0	111.7	S153 V160 E161	S153-N157 VanDerWaalsContact O-CB 3.28Å; S153-N157 WeakPolarHBondContact O-CB 3.48Å; S153-N157 PolarHBondContact O-N 3.4Å; S153-N157 PolarHBondContact O-ND2 3.1Å; N157-V160 PolarHBondContact O-N 2.81Å; N157-E161 WeakPolarHBondContact O-CB 3.31Å; N157-E161 PolarHBondContact O-N 2.95Å
158	H	97.5	Very high	95.8	Very high	103 Å²	103	48.8 Å²	48.8	48%	0.477	26%	0.256	S	S	.	.	H	α-helix	trans	-60.9	-43.7	173.3	-175.7	59.1	0	0	0	112.2	A154 R155 V156 E161 A162	A154-H158 WeakPolarHBondContact O-CB 3.37Å; A154-H158 PolarHBondContact O-N 3.26Å; R155-H158 PolarHBondContact O-N 3.03Å; V156-H158 VanDerWaalsContact C-N 3.27Å; V156-H158 PolarHBondContact O-N 3.38Å; H158-E161 PolarHBondContact O-N 3.04Å; H158-A162 WeakPolarHBondContact O-CB 3.4Å; H158-A162 PolarHBondContact O-N 3.16Å
159	L	98.3	Very high	95.4	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-63.7	-42.8	174.2	-68.1	168	0	0	0	111.7	R155 V156 E161 A162 L163 V196 D199 L200 V203 L430	R155-L159 PolarHBondContact O-N 3.34Å; V156-L159 WeakPolarHBondContact O-CB 3.42Å; V156-L159 PolarHBondContact O-N 3.27Å; V156-L159 VanDerWaalsContact O-N 3.11Å; L159-E161 PolarHBondContact O-N 2.61Å; L159-A162 PolarHBondContact O-N 2.96Å; L159-L163 VanDerWaalsContact O-CG 3.32Å; L159-L163 WeakPolarHBondContact O-CG 3.44Å; L159-L163 PolarHBondContact O-N 2.97Å; L159-V196 HydrophobicContact CD2-CG1 4.47Å; L159-D199 HydrophobicContact CD2-CB 3.69Å; L159-L200 HydrophobicContact CD1-CB 4.45Å; L159-L200 HydrophobicContact CD1-CD1 3.9Å; L159-L200 HydrophobicContact CD2-CB 4.18Å; L159-V203 HydrophobicContact CD1-CB 4.21Å; L159-V203 HydrophobicContact CD1-CG1 4.36Å; L159-V203 HydrophobicContact CD1-CG2 4.01Å; L159-L430 HydrophobicContact CB-CD1 3.66Å; L159-L430 HydrophobicContact CD1-CD1 4.38Å
160	V	97.4	Very high	95.2	Very high	14 Å²	14	46.5 Å²	46.5	9%	0.085	24%	0.239	C	C	.	.	H	α-helix	trans	-62.7	-41.5	177.6	168.8	0	0	0	0	111.6	V156 N157 L163 T164 Q427 L430	V156-V160 HydrophobicContact CG1-CG2 4.42Å; V156-V160 WeakPolarHBondContact O-CG2 3.29Å; V156-V160 PolarHBondContact O-N 3.33Å; N157-V160 PolarHBondContact O-N 2.81Å; V160-L163 PolarHBondContact O-N 3.24Å; V160-T164 WeakPolarHBondContact O-CB 3.44Å; V160-T164 PolarHBondContact O-N 2.97Å; V160-T164 PolarHBondContact O-OG1 3.04Å; V160-Q427 HydrophobicContact CG1-CG 4.13Å; V160-L430 HydrophobicContact CG2-CB 3.72Å; V160-L430 HydrophobicContact CG2-CD1 4.34Å
161	E	97.1	Very high	94.8	Very high	114 Å²	114	49.6 Å²	49.6	53%	0.533	25%	0.25	S	S	.	.	H	α-helix	trans	-64.5	-45.3	175.6	-174.4	174.9	-163.4	0	0	110.9	N157 H158 L159 L163 T164 H165	N157-E161 WeakPolarHBondContact O-CB 3.31Å; N157-E161 PolarHBondContact O-N 2.95Å; H158-E161 PolarHBondContact O-N 3.04Å; L159-E161 PolarHBondContact O-N 2.61Å; E161-L163 PolarHBondContact O-N 2.86Å; E161-T164 WeakPolarHBondContact O-CB 3.44Å; E161-T164 PolarHBondContact O-N 2.95Å; E161-T164 VanDerWaalsContact O-N 3.14Å; E161-H165 PolarHBondContact O-CD2 3.45Å; E161-H165 PolarHBondContact O-N 3.2Å
162	A	97.6	Very high	94.3	Very high	25 Å²	25	49.9 Å²	49.9	21%	0.207	25%	0.253	C	S	.	.	H	α-helix	trans	-61.2	-41.8	176.2	0	0	0	0	0	112.3	H158 L159 H165 L166 V196	H158-A162 WeakPolarHBondContact O-CB 3.4Å; H158-A162 PolarHBondContact O-N 3.16Å; L159-A162 PolarHBondContact O-N 2.96Å; A162-H165 PolarHBondContact O-N 2.84Å; A162-L166 WeakPolarHBondContact O-CB 3.34Å; A162-L166 PolarHBondContact O-N 2.88Å; A162-V196 HydrophobicContact CB-CG2 3.72Å
163	L	97.1	Very high	93.6	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-63.6	-40.4	172.8	-71.9	177.8	0	0	0	112.2	L159 V160 E161 H165 L166 R167 V196 L403 L423 A426 Q427 L430	L159-L163 VanDerWaalsContact O-CG 3.32Å; L159-L163 WeakPolarHBondContact O-CG 3.44Å; L159-L163 PolarHBondContact O-N 2.97Å; V160-L163 PolarHBondContact O-N 3.24Å; E161-L163 PolarHBondContact O-N 2.86Å; L163-H165 VanDerWaalsContact C-N 3.35Å; L163-H165 PolarHBondContact O-N 3.37Å; L163-L166 PolarHBondContact O-N 3.48Å; L163-R167 WeakPolarHBondContact O-CB 3.42Å; L163-R167 VanDerWaalsContact O-CG 3.27Å; L163-R167 WeakPolarHBondContact O-CG 3.44Å; L163-R167 PolarHBondContact O-N 2.93Å; L163-V196 HydrophobicContact CD2-CG1 3.72Å; L163-V196 HydrophobicContact CG-CG1 4.15Å; L163-L403 HydrophobicContact CD2-CD2 3.57Å; L163-L423 HydrophobicContact CD2-CD2 3.72Å; L163-A426 HydrophobicContact CD1-CB 4.04Å; L163-Q427 HydrophobicContact CD1-CB 4.08Å; L163-L430 HydrophobicContact CD1-CD1 3.69Å
164	T	94.5	Very high	93	Very high	51 Å²	51	52.4 Å²	52.4	31%	0.313	27%	0.267	S	S	.	.	H	α-helix	trans	-61.4	-45.5	177.3	-59.8	0	0	0	0	110.6	V160 E161 R167 I168 Q427	V160-T164 WeakPolarHBondContact O-CB 3.44Å; V160-T164 PolarHBondContact O-N 2.97Å; V160-T164 PolarHBondContact O-OG1 3.04Å; E161-T164 WeakPolarHBondContact O-CB 3.44Å; E161-T164 PolarHBondContact O-N 2.95Å; E161-T164 VanDerWaalsContact O-N 3.14Å; T164-R167 PolarHBondContact O-N 3.42Å; T164-I168 HydrophobicContact CG2-CD1 4.29Å; T164-I168 VanDerWaalsContact O-CG1 3.32Å; T164-I168 WeakPolarHBondContact O-CG1 3.41Å; T164-I168 PolarHBondContact O-N 3.47Å; T164-Q427 PolarHBondContact OG1-NE2 3.1Å; T164-Q427 VanDerWaalsContact OG1-NE2 3.07Å
165	H	93.8	Very high	92.3	Very high	96 Å²	96	55.3 Å²	55.3	44%	0.444	27%	0.274	S	S	.	.	H	α-helix	trans	-61.6	-48.1	175.3	-77	-63.9	0	0	0	112.3	E161 A162 L163 R167 I168 Y169	E161-H165 PolarHBondContact O-CD2 3.45Å; E161-H165 PolarHBondContact O-N 3.2Å; A162-H165 PolarHBondContact O-N 2.84Å; L163-H165 VanDerWaalsContact C-N 3.35Å; L163-H165 PolarHBondContact O-N 3.37Å; H165-R167 VanDerWaalsContact C-N 3.29Å; H165-R167 PolarHBondContact O-N 3.29Å; H165-I168 WeakPolarHBondContact O-CB 3.34Å; H165-I168 PolarHBondContact O-N 3.1Å; H165-I168 VanDerWaalsContact O-N 3.17Å; H165-Y169 WeakPolarHBondContact O-CD2 3.22Å; H165-Y169 PolarHBondContact O-N 2.69Å; H165-Y169 VanDerWaalsContact O-N 3.16Å
166	L	94	Very high	91.3	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-59.6	-41.3	178	-179.6	55.4	0	0	0	111.6	A162 L163 I168 Y169 V170 I189 Q192 L193 L423	A162-L166 WeakPolarHBondContact O-CB 3.34Å; A162-L166 PolarHBondContact O-N 2.88Å; L163-L166 PolarHBondContact O-N 3.48Å; L166-I168 PolarHBondContact O-N 3.4Å; L166-Y169 PolarHBondContact O-N 3.32Å; L166-V170 HydrophobicContact CD1-CG2 4.33Å; L166-V170 WeakPolarHBondContact O-CG2 3.36Å; L166-V170 PolarHBondContact O-N 3.29Å; L166-I189 HydrophobicContact CD1-CG2 4.01Å; L166-Q192 HydrophobicContact CD1-CB 3.85Å; L166-L193 HydrophobicContact CD2-CB 3.97Å; L166-L193 HydrophobicContact CD2-CD1 4.04Å; L166-L423 HydrophobicContact CD2-CD1 4.08Å; L166-L423 HydrophobicContact CD2-CD2 3.68Å; L166-L423 HydrophobicContact CG-CD1 3.8Å; L166-L423 HydrophobicContact CG-CD2 4.29Å
167	R	92.9	Very high	89.9	Confident	53 Å²	53	60.8 Å²	60.8	20%	0.2	31%	0.311	C	S	.	.	H	α-helix	trans	-60.7	-43.1	175.1	-77.2	-176.9	63.1	-129.4	-18	112.4	L163 T164 H165 Y169 V170 E171 L423	L163-R167 WeakPolarHBondContact O-CB 3.42Å; L163-R167 VanDerWaalsContact O-CG 3.27Å; L163-R167 WeakPolarHBondContact O-CG 3.44Å; L163-R167 PolarHBondContact O-N 2.93Å; T164-R167 PolarHBondContact O-N 3.42Å; H165-R167 VanDerWaalsContact C-N 3.29Å; H165-R167 PolarHBondContact O-N 3.29Å; R167-Y169 VanDerWaalsContact C-N 3.28Å; R167-Y169 PolarHBondContact O-N 2.94Å; R167-V170 PolarHBondContact O-N 3.11Å; R167-E171 IonicContact CZ-OE1 3.25Å; R167-E171 IonicContact NE-OE1 2.69Å; R167-E171 IonicContact NH2-OE1 3.43Å; R167-E171 PolarHBondContact NH2-OE1 3.25Å; R167-E171 WeakPolarHBondContact O-CB 3.47Å; R167-E171 VanDerWaalsContact O-CG 3.32Å; R167-E171 WeakPolarHBondContact O-CG 3.41Å; R167-E171 PolarHBondContact O-N 2.94Å; R167-L423 HydrophobicContact CG-CB 3.44Å; R167-L423 VanDerWaalsContact CG-CB 3.44Å; R167-L423 HydrophobicContact CG-CD1 3.8Å; R167-L423 HydrophobicContact CG-CG 4.26Å
168	I	89.9	Confident	88.5	Confident	95 Å²	95	65.1 Å²	65.1	49%	0.487	33%	0.334	S	S	.	.	H	α-helix	trans	-58.2	-42.2	176	-68.1	162.9	0	0	0	110.8	T164 H165 L166 A172	T164-I168 HydrophobicContact CG2-CD1 4.29Å; T164-I168 VanDerWaalsContact O-CG1 3.32Å; T164-I168 WeakPolarHBondContact O-CG1 3.41Å; T164-I168 PolarHBondContact O-N 3.47Å; H165-I168 WeakPolarHBondContact O-CB 3.34Å; H165-I168 PolarHBondContact O-N 3.1Å; H165-I168 VanDerWaalsContact O-N 3.17Å; L166-I168 PolarHBondContact O-N 3.4Å; I168-A172 WeakPolarHBondContact O-CB 3.29Å; I168-A172 PolarHBondContact O-N 2.86Å
169	Y	87.9	Confident	86.8	Confident	132 Å²	132	65 Å²	65	52%	0.518	33%	0.334	S	S	.	.	H	α-helix	trans	-65.4	-43.5	176.6	-79	-75.1	0	0	0	112.7	H165 L166 R167 A172 A173	H165-Y169 WeakPolarHBondContact O-CD2 3.22Å; H165-Y169 PolarHBondContact O-N 2.69Å; H165-Y169 VanDerWaalsContact O-N 3.16Å; L166-Y169 PolarHBondContact O-N 3.32Å; R167-Y169 VanDerWaalsContact C-N 3.28Å; R167-Y169 PolarHBondContact O-N 2.94Å; Y169-A172 PolarHBondContact O-N 3.26Å; Y169-A173 WeakPolarHBondContact O-CB 3.41Å; Y169-A173 PolarHBondContact O-N 2.92Å
170	V	89.6	Confident	84.8	Confident	0 Å²	0	74.9 Å²	74.9	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-66.2	-43.2	178.5	175.1	0	0	0	0	111	L166 R167 A173 I174 I189 G416 L419 A420 L423	L166-V170 HydrophobicContact CD1-CG2 4.33Å; L166-V170 WeakPolarHBondContact O-CG2 3.36Å; L166-V170 PolarHBondContact O-N 3.29Å; R167-V170 PolarHBondContact O-N 3.11Å; V170-A173 WeakPolarHBondContact O-CB 3.42Å; V170-A173 PolarHBondContact O-N 2.94Å; V170-A173 VanDerWaalsContact O-N 3.16Å; V170-I174 HydrophobicContact CG1-CD1 3.9Å; V170-I174 WeakPolarHBondContact O-CD1 3.45Å; V170-I174 VanDerWaalsContact O-CG1 3.27Å; V170-I174 WeakPolarHBondContact O-CG1 3.3Å; V170-I174 PolarHBondContact O-N 3.48Å; V170-I189 HydrophobicContact CG2-CD1 4.13Å; V170-I189 HydrophobicContact CG2-CG1 4.47Å; V170-I189 HydrophobicContact CG2-CG2 3.84Å; V170-G416 WeakPolarHBondContact CG1-O 3.4Å; V170-L419 HydrophobicContact CG1-CD2 4.27Å; V170-L419 HydrophobicContact CG1-CG 4.38Å; V170-L419 HydrophobicContact CG2-CD2 3.61Å; V170-L419 HydrophobicContact CG2-CG 4.18Å; V170-A420 HydrophobicContact CG1-CB 3.95Å; V170-L423 HydrophobicContact CG2-CD1 4.03Å
171	E	87.5	Confident	82.9	Confident	77 Å²	77	79.2 Å²	79.2	36%	0.36	40%	0.401	S	S	.	.	H	α-helix	trans	-62.4	-43.6	177	-73.9	173.8	-171.1	0	0	111.2	R167 A173 I174 D175	R167-E171 IonicContact CZ-OE1 3.25Å; R167-E171 IonicContact NE-OE1 2.69Å; R167-E171 IonicContact NH2-OE1 3.43Å; R167-E171 PolarHBondContact NH2-OE1 3.25Å; R167-E171 WeakPolarHBondContact O-CB 3.47Å; R167-E171 VanDerWaalsContact O-CG 3.32Å; R167-E171 WeakPolarHBondContact O-CG 3.41Å; R167-E171 PolarHBondContact O-N 2.94Å; E171-A173 VanDerWaalsContact C-N 3.31Å; E171-A173 PolarHBondContact O-N 3.2Å; E171-I174 PolarHBondContact O-N 2.93Å; E171-D175 PolarHBondContact O-N 3.36Å
172	A	84.9	Confident	81.6	Confident	45 Å²	45	77.9 Å²	77.9	37%	0.372	40%	0.398	S	S	.	.	H	α-helix	trans	-61.3	-38	173.3	0	0	0	0	0	112.5	I168 Y169 I174 F176	I168-A172 WeakPolarHBondContact O-CB 3.29Å; I168-A172 PolarHBondContact O-N 2.86Å; Y169-A172 PolarHBondContact O-N 3.26Å; A172-I174 VanDerWaalsContact C-N 3.32Å; A172-I174 PolarHBondContact O-N 3.5Å; A172-F176 WeakPolarHBondContact O-CD2 3.36Å; A172-F176 PolarHBondContact O-N 3.27Å
173	A	82.9	Confident	80.4	Confident	9 Å²	9	80 Å²	80	7%	0.074	40%	0.402	C	S	.	.	H	α-helix	trans	-66.9	-32.4	176.5	0	0	0	0	0	112.9	Y169 V170 E171 F183 L184 I189	Y169-A173 WeakPolarHBondContact O-CB 3.41Å; Y169-A173 PolarHBondContact O-N 2.92Å; V170-A173 WeakPolarHBondContact O-CB 3.42Å; V170-A173 PolarHBondContact O-N 2.94Å; V170-A173 VanDerWaalsContact O-N 3.16Å; E171-A173 VanDerWaalsContact C-N 3.31Å; E171-A173 PolarHBondContact O-N 3.2Å; A173-F183 HydrophobicContact CB-CB 3.55Å; A173-F183 HydrophobicContact CB-CG 4.47Å; A173-L184 HydrophobicContact CB-CD2 3.88Å; A173-L184 HydrophobicContact CB-CG 4.06Å; A173-I189 HydrophobicContact CB-CD1 4.28Å
174	I	82.9	Confident	79.2	Confident	49 Å²	49	81.1 Å²	81.1	25%	0.251	41%	0.408	S	S	.	.	H	α-helix	trans	-76.4	-42.8	178.3	-65.2	161.4	0	0	0	111.4	V170 E171 A172 F176 P177 G416 E417 A420	V170-I174 HydrophobicContact CG1-CD1 3.9Å; V170-I174 WeakPolarHBondContact O-CD1 3.45Å; V170-I174 VanDerWaalsContact O-CG1 3.27Å; V170-I174 WeakPolarHBondContact O-CG1 3.3Å; V170-I174 PolarHBondContact O-N 3.48Å; E171-I174 PolarHBondContact O-N 2.93Å; A172-I174 VanDerWaalsContact C-N 3.32Å; A172-I174 PolarHBondContact O-N 3.5Å; I174-F176 VanDerWaalsContact C-N 3.28Å; I174-F176 PolarHBondContact O-N 3.25Å; I174-P177 WeakPolarHBondContact O-CD 2.92Å; I174-G416 VanDerWaalsContact CD1-C 3.46Å; I174-E417 HydrophobicContact CD1-CG 4.34Å; I174-E417 HydrophobicContact CG2-CG 4.24Å; I174-A420 HydrophobicContact CD1-CB 4.1Å
175	D	82.4	Confident	78.2	Confident	121 Å²	121	81.5 Å²	81.5	65%	0.647	41%	0.413	S	S	*	.	H	α-helix	trans	-70.9	-23.7	-174.9	-79.1	-13.5	0	0	0	113	E171 P177	E171-D175 PolarHBondContact O-N 3.36Å; D175-P177 WeakPolarHBondContact O-CD 3.28Å
176	F	75.3	Confident	77.4	Confident	120 Å²	120	79.4 Å²	79.4	53%	0.526	41%	0.405	S	S	.	.			trans	-122.7	62.3	-177.1	-60.2	-82.9	0	0	0	112.5	A172 I174 D178 E179	A172-F176 WeakPolarHBondContact O-CD2 3.36Å; A172-F176 PolarHBondContact O-N 3.27Å; I174-F176 VanDerWaalsContact C-N 3.28Å; I174-F176 PolarHBondContact O-N 3.25Å; F176-D178 VanDerWaalsContact C-N 3.27Å; F176-D178 PolarHBondContact O-N 3.05Å; F176-E179 HydrophobicContact CB-CG 4.24Å
177	P	68.5	Low	76.9	Confident	97 Å²	97	80.9 Å²	80.9	63%	0.63	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-19.2	-175.1	31.3	-35.7	0	0	0	113.5	I174 D175	I174-P177 WeakPolarHBondContact O-CD 2.92Å; D175-P177 WeakPolarHBondContact O-CD 3.28Å
178	D	67	Low	76.6	Confident	163 Å²	163	84.4 Å²	84.4	87%	0.872	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	4.5	-176.5	-68.3	-38.9	0	0	0	113.6	F176	F176-D178 VanDerWaalsContact C-N 3.27Å; F176-D178 PolarHBondContact O-N 3.05Å
179	E	60.9	Low	76.6	Confident	101 Å²	101	80.1 Å²	80.1	47%	0.472	42%	0.415	S	S	.	.	S	Bend	trans	-69.9	147.4	173.8	-74	-156.9	-172.5	0	0	111.9	F176 I181 F183	F176-E179 HydrophobicContact CB-CG 4.24Å; E179-I181 PolarHBondContact O-N 3.47Å; E179-F183 HydrophobicContact CB-CE2 3.95Å; E179-F183 HydrophobicContact CG-CE2 4.26Å; E179-F183 WeakPolarHBondContact OE2-CE2 3.3Å; E179-F183 WeakPolarHBondContact OE2-CZ 3.36Å
180	E	56.3	Low	76.8	Confident	209 Å²	209	76.8 Å²	76.8	98%	0.977	41%	0.405	S	S	*	.	S	Bend	trans	-61.6	-15.1	-178.6	-71.8	-175.6	166.4	0	0	113.5
181	I	58.9	Low	76.9	Confident	105 Å²	105	79 Å²	79	54%	0.538	42%	0.423	S	S	.	.	S	Bend	trans	-110.6	111	177.9	-55.3	174.5	0	0	0	107.2	E179 F183	E179-I181 PolarHBondContact O-N 3.47Å; I181-F183 VanDerWaalsContact C-N 3.34Å; I181-F183 VanDerWaalsContact O-CD2 3.3Å; I181-F183 WeakPolarHBondContact O-CD2 3.47Å; I181-F183 PolarHBondContact O-N 2.98Å
182	D	69.8	Low	77.2	Confident	86 Å²	86	78 Å²	78	46%	0.46	42%	0.419	S	S	.	.			trans	-67.2	96.9	167.2	173.1	14.7	0	0	0	108.8	L184 S185 D186	D182-L184 PolarHBondContact O-N 3.43Å; D182-L184 WeakPolarHBondContact OD1-CB 3.34Å; D182-L184 PolarHBondContact OD1-N 2.76Å; D182-S185 WeakPolarHBondContact CB-OG 3.19Å; D182-S185 PolarHBondContact O-N 3.15Å; D182-S185 VanDerWaalsContact O-N 3.08Å; D182-S185 PolarHBondContact O-OG 2.78Å; D182-S185 VanDerWaalsContact OD2-CB 3.3Å; D182-S185 WeakPolarHBondContact OD2-CB 3.41Å; D182-S185 PolarHBondContact OD2-OG 3.32Å; D182-D186 PolarHBondContact O-N 3.23Å
183	F	71.5	Confident	77.7	Confident	69 Å²	69	75.9 Å²	75.9	30%	0.303	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-26.3	-179.6	-71.1	-81	0	0	0	112.8	A173 E179 I181 S185	A173-F183 HydrophobicContact CB-CB 3.55Å; A173-F183 HydrophobicContact CB-CG 4.47Å; E179-F183 HydrophobicContact CB-CE2 3.95Å; E179-F183 HydrophobicContact CG-CE2 4.26Å; E179-F183 WeakPolarHBondContact OE2-CE2 3.3Å; E179-F183 WeakPolarHBondContact OE2-CZ 3.36Å; I181-F183 VanDerWaalsContact C-N 3.34Å; I181-F183 VanDerWaalsContact O-CD2 3.3Å; I181-F183 WeakPolarHBondContact O-CD2 3.47Å; I181-F183 PolarHBondContact O-N 2.98Å; F183-S185 VanDerWaalsContact C-N 3.32Å
184	L	72.3	Confident	78.4	Confident	24 Å²	24	77.8 Å²	77.8	13%	0.126	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-33.8	177.8	-65.4	173.2	0	0	0	111.1	A173 D182 I189 W414	A173-L184 HydrophobicContact CB-CD2 3.88Å; A173-L184 HydrophobicContact CB-CG 4.06Å; D182-L184 PolarHBondContact O-N 3.43Å; D182-L184 WeakPolarHBondContact OD1-CB 3.34Å; D182-L184 PolarHBondContact OD1-N 2.76Å; L184-I189 HydrophobicContact CD2-CD1 3.88Å; L184-W414 HydrophobicContact CB-CE3 4.28Å; L184-W414 WeakPolarHBondContact CD1-O 3.4Å; L184-W414 WeakPolarHBondContact O-CZ3 3.36Å
185	S	73.1	Confident	79.1	Confident	59 Å²	59	80.3 Å²	80.3	41%	0.413	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	3	-178	62	0	0	0	0	115.5	D182 F183 G187	D182-S185 WeakPolarHBondContact CB-OG 3.19Å; D182-S185 PolarHBondContact O-N 3.15Å; D182-S185 VanDerWaalsContact O-N 3.08Å; D182-S185 PolarHBondContact O-OG 2.78Å; D182-S185 VanDerWaalsContact OD2-CB 3.3Å; D182-S185 WeakPolarHBondContact OD2-CB 3.41Å; D182-S185 PolarHBondContact OD2-OG 3.32Å; F183-S185 VanDerWaalsContact C-N 3.32Å; S185-G187 PolarHBondContact O-N 3.31Å; S185-G187 VanDerWaalsContact O-N 3.15Å
186	D	76.4	Confident	79.9	Confident	52 Å²	52	74.9 Å²	74.9	28%	0.278	40%	0.395	S	S	.	.	S	Bend	trans	-72	-5.7	180	89.8	-14.7	0	0	0	114.5	D182 K188	D182-D186 PolarHBondContact O-N 3.23Å; D186-K188 PolarHBondContact O-N 2.93Å; D186-K188 VanDerWaalsContact OD1-CB 3.23Å; D186-K188 WeakPolarHBondContact OD1-CB 3.48Å; D186-K188 WeakPolarHBondContact OD1-CG 3.39Å; D186-K188 PolarHBondContact OD1-N 3.37Å; D186-K188 WeakPolarHBondContact OD2-CD 3.19Å; D186-K188 WeakPolarHBondContact OD2-CE 2.96Å; D186-K188 WeakPolarHBondContact OD2-CG 3.38Å; D186-K188 IonicContact OD2-NZ 3.85Å; D186-K188 PolarHBondContact OD2-NZ 3.28Å
187	G	84.5	Confident	81	Confident	32 Å²	32	69.9 Å²	69.9	33%	0.33	37%	0.374	S	S	.	.	S	Bend	trans	77.3	-8.4	178.4	0	0	0	0	0	114.8	S185 A191	S185-G187 PolarHBondContact O-N 3.31Å; S185-G187 VanDerWaalsContact O-N 3.15Å; G187-A191 WeakPolarHBondContact O-CB 3.44Å; G187-A191 PolarHBondContact O-N 3.33Å
188	K	87.2	Confident	82.4	Confident	127 Å²	127	68 Å²	68	55%	0.552	37%	0.366	S	S	*	.	H	α-helix	trans	-71.7	-41.6	179.1	-62.7	-172.5	-162.6	113.7	0	111.8	D186 E190 A191 Q192	D186-K188 PolarHBondContact O-N 2.93Å; D186-K188 VanDerWaalsContact OD1-CB 3.23Å; D186-K188 WeakPolarHBondContact OD1-CB 3.48Å; D186-K188 WeakPolarHBondContact OD1-CG 3.39Å; D186-K188 PolarHBondContact OD1-N 3.37Å; D186-K188 WeakPolarHBondContact OD2-CD 3.19Å; D186-K188 WeakPolarHBondContact OD2-CE 2.96Å; D186-K188 WeakPolarHBondContact OD2-CG 3.38Å; D186-K188 IonicContact OD2-NZ 3.85Å; D186-K188 PolarHBondContact OD2-NZ 3.28Å; K188-E190 VanDerWaalsContact C-N 3.32Å; K188-A191 PolarHBondContact O-N 2.97Å; K188-Q192 WeakPolarHBondContact O-CB 3.42Å; K188-Q192 WeakPolarHBondContact O-CG 3.27Å; K188-Q192 PolarHBondContact O-N 3.3Å
189	I	89.6	Confident	83.9	Confident	5 Å²	5	63.6 Å²	63.6	3%	0.026	34%	0.342	C	S	.	.	H	α-helix	trans	-61.8	-44.3	177.2	-67.6	174.3	0	0	0	109.8	L166 V170 A173 L184 Q192 L193 L410 L419	L166-I189 HydrophobicContact CD1-CG2 4.01Å; V170-I189 HydrophobicContact CG2-CD1 4.13Å; V170-I189 HydrophobicContact CG2-CG1 4.47Å; V170-I189 HydrophobicContact CG2-CG2 3.84Å; A173-I189 HydrophobicContact CB-CD1 4.28Å; L184-I189 HydrophobicContact CD2-CD1 3.88Å; I189-Q192 PolarHBondContact O-N 2.83Å; I189-L193 VanDerWaalsContact O-CB 3.26Å; I189-L193 WeakPolarHBondContact O-CB 3.37Å; I189-L193 PolarHBondContact O-N 3.21Å; I189-L410 HydrophobicContact CG2-CD1 4.33Å; I189-L410 HydrophobicContact CG2-CD2 3.86Å; I189-L419 HydrophobicContact CG2-CD2 3.65Å
190	E	91.2	Very high	85.6	Confident	63 Å²	63	58.9 Å²	58.9	29%	0.294	32%	0.32	S	S	.	.	H	α-helix	trans	-62.8	-44.4	176.5	-168.1	-167.7	160.3	0	0	111.7	K188 L193 N194 L410 L411	K188-E190 VanDerWaalsContact C-N 3.32Å; E190-L193 PolarHBondContact O-N 3.21Å; E190-N194 WeakPolarHBondContact O-CB 3.34Å; E190-N194 VanDerWaalsContact O-CG 3.24Å; E190-N194 PolarHBondContact O-N 2.95Å; E190-N194 PolarHBondContact O-ND2 3.5Å; E190-N194 VanDerWaalsContact O-ND2 3.09Å; E190-L410 HydrophobicContact CB-CD2 4.06Å; E190-L410 HydrophobicContact CG-CD2 4.47Å; E190-L411 HydrophobicContact CG-CD2 4.24Å
191	A	92.5	Very high	87.6	Confident	47 Å²	47	52.1 Å²	52.1	39%	0.388	29%	0.291	S	S	.	.	H	α-helix	trans	-60.9	-50.1	177.6	0	0	0	0	0	111.9	G187 K188 L193 N194 D195	G187-A191 WeakPolarHBondContact O-CB 3.44Å; G187-A191 PolarHBondContact O-N 3.33Å; K188-A191 PolarHBondContact O-N 2.97Å; A191-L193 VanDerWaalsContact C-N 3.33Å; A191-L193 PolarHBondContact O-N 2.99Å; A191-N194 WeakPolarHBondContact O-CB 3.44Å; A191-N194 PolarHBondContact O-N 2.87Å; A191-N194 VanDerWaalsContact O-N 3.16Å; A191-D195 PolarHBondContact O-N 3.25Å
192	Q	93.7	Very high	89.3	Confident	56 Å²	56	49.3 Å²	49.3	26%	0.262	28%	0.283	S	S	.	.	H	α-helix	trans	-61.4	-40.1	177.5	-73.4	-179.1	2.9	0	0	112.2	L166 K188 I189 N194 D195 V196	L166-Q192 HydrophobicContact CD1-CB 3.85Å; K188-Q192 WeakPolarHBondContact O-CB 3.42Å; K188-Q192 WeakPolarHBondContact O-CG 3.27Å; K188-Q192 PolarHBondContact O-N 3.3Å; I189-Q192 PolarHBondContact O-N 2.83Å; Q192-N194 VanDerWaalsContact C-N 3.34Å; Q192-D195 PolarHBondContact O-N 3.44Å; Q192-V196 WeakPolarHBondContact O-CG2 3.49Å; Q192-V196 PolarHBondContact O-N 3.33Å
193	L	95.5	Very high	90.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.6	-42.2	175.3	179.3	57.7	0	0	0	111.6	L166 I189 E190 A191 V196 I197 L403 K407 L410 L419 L423	L166-L193 HydrophobicContact CD2-CB 3.97Å; L166-L193 HydrophobicContact CD2-CD1 4.04Å; I189-L193 VanDerWaalsContact O-CB 3.26Å; I189-L193 WeakPolarHBondContact O-CB 3.37Å; I189-L193 PolarHBondContact O-N 3.21Å; E190-L193 PolarHBondContact O-N 3.21Å; A191-L193 VanDerWaalsContact C-N 3.33Å; A191-L193 PolarHBondContact O-N 2.99Å; L193-V196 PolarHBondContact O-N 2.88Å; L193-I197 HydrophobicContact CD1-CD1 4.11Å; L193-I197 HydrophobicContact CD1-CG1 4.4Å; L193-I197 HydrophobicContact CG-CD1 4Å; L193-I197 VanDerWaalsContact O-CG1 3.25Å; L193-I197 WeakPolarHBondContact O-CG1 3.48Å; L193-I197 PolarHBondContact O-N 3.1Å; L193-L403 HydrophobicContact CD1-CB 4.45Å; L193-L403 HydrophobicContact CD1-CD2 4Å; L193-K407 HydrophobicContact CD2-CB 3.68Å; L193-K407 HydrophobicContact CD2-CG 4.15Å; L193-K407 HydrophobicContact CG-CB 4.46Å; L193-L410 HydrophobicContact CD2-CD2 4.29Å; L193-L419 HydrophobicContact CD2-CD1 4.02Å; L193-L423 HydrophobicContact CD1-CD2 4.2Å
194	N	97	Very high	91.7	Very high	48 Å²	48	43.8 Å²	43.8	26%	0.257	26%	0.255	S	S	.	.	H	α-helix	trans	-64.6	-39.8	176.3	-73.3	-37.6	0	0	0	112.2	E190 A191 Q192 I197 A198 K407	E190-N194 WeakPolarHBondContact O-CB 3.34Å; E190-N194 VanDerWaalsContact O-CG 3.24Å; E190-N194 PolarHBondContact O-N 2.95Å; E190-N194 PolarHBondContact O-ND2 3.5Å; E190-N194 VanDerWaalsContact O-ND2 3.09Å; A191-N194 WeakPolarHBondContact O-CB 3.44Å; A191-N194 PolarHBondContact O-N 2.87Å; A191-N194 VanDerWaalsContact O-N 3.16Å; Q192-N194 VanDerWaalsContact C-N 3.34Å; N194-I197 PolarHBondContact O-N 3.39Å; N194-A198 WeakPolarHBondContact O-CB 3.39Å; N194-A198 PolarHBondContact O-N 3.49Å; N194-K407 VanDerWaalsContact OD1-CE 3.22Å; N194-K407 WeakPolarHBondContact OD1-CE 3.31Å; N194-K407 PolarHBondContact OD1-NZ 3.46Å
195	D	97.9	Very high	92.7	Very high	102 Å²	102	44.3 Å²	44.3	55%	0.545	26%	0.263	S	S	.	.	H	α-helix	trans	-62.1	-47.2	176.2	-67.5	-21.6	0	0	0	110.7	A191 Q192 I197 A198 D199	A191-D195 PolarHBondContact O-N 3.25Å; Q192-D195 PolarHBondContact O-N 3.44Å; D195-I197 VanDerWaalsContact C-N 3.33Å; D195-I197 PolarHBondContact O-N 2.92Å; D195-A198 PolarHBondContact O-N 3.31Å; D195-A198 VanDerWaalsContact O-N 3.17Å; D195-D199 PolarHBondContact O-N 2.97Å
196	V	98	Very high	93.6	Very high	8 Å²	8	43.4 Å²	43.4	5%	0.048	25%	0.252	C	S	.	.	H	α-helix	trans	-62.1	-39.7	177.1	176	0	0	0	0	112.1	L159 A162 L163 Q192 L193 D199 L200 L403	L159-V196 HydrophobicContact CD2-CG1 4.47Å; A162-V196 HydrophobicContact CB-CG2 3.72Å; L163-V196 HydrophobicContact CD2-CG1 3.72Å; L163-V196 HydrophobicContact CG-CG1 4.15Å; Q192-V196 WeakPolarHBondContact O-CG2 3.49Å; Q192-V196 PolarHBondContact O-N 3.33Å; L193-V196 PolarHBondContact O-N 2.88Å; V196-D199 PolarHBondContact O-N 3.34Å; V196-L200 VanDerWaalsContact O-CB 3.32Å; V196-L200 WeakPolarHBondContact O-CB 3.37Å; V196-L200 PolarHBondContact O-N 2.69Å; V196-L403 HydrophobicContact CG1-CD1 3.89Å
197	I	98.7	Very high	94.5	Very high	15 Å²	15	41 Å²	41	8%	0.077	24%	0.239	C	C	.	.	H	α-helix	trans	-62.6	-44.2	175.5	-72.8	166	0	0	0	110.7	L193 N194 D195 L200 D201 L403 K407	L193-I197 HydrophobicContact CD1-CD1 4.11Å; L193-I197 HydrophobicContact CD1-CG1 4.4Å; L193-I197 HydrophobicContact CG-CD1 4Å; L193-I197 VanDerWaalsContact O-CG1 3.25Å; L193-I197 WeakPolarHBondContact O-CG1 3.48Å; L193-I197 PolarHBondContact O-N 3.1Å; N194-I197 PolarHBondContact O-N 3.39Å; D195-I197 VanDerWaalsContact C-N 3.33Å; D195-I197 PolarHBondContact O-N 2.92Å; I197-L200 PolarHBondContact O-N 2.83Å; I197-D201 WeakPolarHBondContact O-CB 3.1Å; I197-D201 PolarHBondContact O-N 3.2Å; I197-L403 HydrophobicContact CD1-CB 4.22Å; I197-L403 HydrophobicContact CG1-CB 3.79Å; I197-L403 HydrophobicContact CG1-CD1 4.08Å; I197-K407 HydrophobicContact CD1-CB 4.42Å; I197-K407 HydrophobicContact CD1-CD 3.98Å
198	A	98.4	Very high	94.9	Very high	57 Å²	57	45.1 Å²	45.1	47%	0.471	25%	0.245	S	C	.	.	H	α-helix	trans	-64.1	-42.6	178.9	0	0	0	0	0	111.9	N194 D195 D201 A202	N194-A198 WeakPolarHBondContact O-CB 3.39Å; N194-A198 PolarHBondContact O-N 3.49Å; D195-A198 PolarHBondContact O-N 3.31Å; D195-A198 VanDerWaalsContact O-N 3.17Å; A198-D201 PolarHBondContact O-N 3.08Å; A198-A202 PolarHBondContact O-N 3.36Å
199	D	97.7	Very high	95.2	Very high	70 Å²	70	40.3 Å²	40.3	37%	0.374	22%	0.224	S	C	.	.	H	α-helix	trans	-64.7	-41.6	175.9	-74	-15.9	0	0	0	111.6	L159 D195 V196 D201 A202 V203	L159-D199 HydrophobicContact CD2-CB 3.69Å; D195-D199 PolarHBondContact O-N 2.97Å; V196-D199 PolarHBondContact O-N 3.34Å; D199-D201 VanDerWaalsContact C-N 3.34Å; D199-D201 PolarHBondContact O-N 2.98Å; D199-A202 PolarHBondContact O-N 3.07Å; D199-V203 WeakPolarHBondContact O-CG2 3.49Å; D199-V203 PolarHBondContact O-N 3.28Å
200	L	98.4	Very high	95.4	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-62.5	-41.6	175.4	176.8	60.1	0	0	0	111.4	L159 V196 I197 A202 V203 R204 L396 A399 A400 L403 L430	L159-L200 HydrophobicContact CD1-CB 4.45Å; L159-L200 HydrophobicContact CD1-CD1 3.9Å; L159-L200 HydrophobicContact CD2-CB 4.18Å; V196-L200 VanDerWaalsContact O-CB 3.32Å; V196-L200 WeakPolarHBondContact O-CB 3.37Å; V196-L200 PolarHBondContact O-N 2.69Å; I197-L200 PolarHBondContact O-N 2.83Å; L200-A202 VanDerWaalsContact C-N 3.33Å; L200-A202 PolarHBondContact O-N 3.25Å; L200-V203 PolarHBondContact O-N 3.33Å; L200-R204 HydrophobicContact CD1-CG 4.25Å; L200-R204 HydrophobicContact CG-CG 4.41Å; L200-R204 WeakPolarHBondContact O-CB 3.46Å; L200-R204 VanDerWaalsContact O-CG 3.29Å; L200-R204 WeakPolarHBondContact O-CG 3.29Å; L200-R204 PolarHBondContact O-N 2.75Å; L200-L396 HydrophobicContact CD1-CB 4.39Å; L200-L396 HydrophobicContact CD1-CD2 3.61Å; L200-A399 HydrophobicContact CD2-CB 4.19Å; L200-A400 HydrophobicContact CD2-CB 3.69Å; L200-A400 HydrophobicContact CG-CB 4.48Å; L200-L403 HydrophobicContact CD2-CD1 3.69Å; L200-L430 HydrophobicContact CD1-CD2 4.15Å
201	D	97.7	Very high	95.5	Very high	67 Å²	67	37.6 Å²	37.6	36%	0.358	21%	0.213	S	C	.	.	H	α-helix	trans	-64.9	-36.9	177.4	-78.7	-21.5	0	0	0	112.2	I197 A198 D199 R204 A205	I197-D201 WeakPolarHBondContact O-CB 3.1Å; I197-D201 PolarHBondContact O-N 3.2Å; A198-D201 PolarHBondContact O-N 3.08Å; D199-D201 VanDerWaalsContact C-N 3.34Å; D199-D201 PolarHBondContact O-N 2.98Å; D201-R204 PolarHBondContact O-N 3.3Å; D201-R204 IonicContact OD1-CZ 3.86Å; D201-R204 IonicContact OD1-NH1 2.79Å; D201-R204 PolarHBondContact OD1-NH1 2.65Å; D201-A205 PolarHBondContact O-N 3.19Å
202	A	94.7	Very high	95.5	Very high	46 Å²	46	36.6 Å²	36.6	38%	0.38	20%	0.201	S	C	.	.	H	α-helix	trans	-63.2	-46.4	172.1	0	0	0	0	0	111.6	A198 D199 L200 R204 A205 E206	A198-A202 PolarHBondContact O-N 3.36Å; D199-A202 PolarHBondContact O-N 3.07Å; L200-A202 VanDerWaalsContact C-N 3.33Å; L200-A202 PolarHBondContact O-N 3.25Å; A202-R204 VanDerWaalsContact C-N 3.34Å; A202-R204 PolarHBondContact O-N 2.75Å; A202-A205 PolarHBondContact O-N 3.13Å; A202-E206 PolarHBondContact O-N 2.93Å
203	V	95.8	Very high	95.3	Very high	5 Å²	5	34.3 Å²	34.3	3%	0.03	19%	0.19	C	C	.	.	H	α-helix	trans	-63.3	-39.3	176.5	173.9	0	0	0	0	111.5	F152 R155 L159 D199 L200 A205 E206 A207 F386 L396	F152-V203 HydrophobicContact CE2-CG1 4.31Å; R155-V203 HydrophobicContact CB-CG2 4.01Å; L159-V203 HydrophobicContact CD1-CB 4.21Å; L159-V203 HydrophobicContact CD1-CG1 4.36Å; L159-V203 HydrophobicContact CD1-CG2 4.01Å; D199-V203 WeakPolarHBondContact O-CG2 3.49Å; D199-V203 PolarHBondContact O-N 3.28Å; L200-V203 PolarHBondContact O-N 3.33Å; V203-A205 VanDerWaalsContact C-N 3.35Å; V203-A205 PolarHBondContact O-N 3.4Å; V203-E206 PolarHBondContact O-N 2.94Å; V203-A207 WeakPolarHBondContact O-CB 3.46Å; V203-A207 PolarHBondContact O-N 2.93Å; V203-F386 HydrophobicContact CG1-CZ 4.22Å; V203-L396 HydrophobicContact CG1-CD1 4.28Å; V203-L396 HydrophobicContact CG1-CD2 3.96Å
204	R	95.7	Very high	95	Very high	34 Å²	34	38.5 Å²	38.5	13%	0.128	21%	0.206	C	C	.	.	H	α-helix	trans	-61.6	-41.1	174.2	-77.4	170.7	70.5	-147.7	7.6	111.9	L200 D201 A202 R208 L396 E397	L200-R204 HydrophobicContact CD1-CG 4.25Å; L200-R204 HydrophobicContact CG-CG 4.41Å; L200-R204 WeakPolarHBondContact O-CB 3.46Å; L200-R204 VanDerWaalsContact O-CG 3.29Å; L200-R204 WeakPolarHBondContact O-CG 3.29Å; L200-R204 PolarHBondContact O-N 2.75Å; D201-R204 PolarHBondContact O-N 3.3Å; D201-R204 IonicContact OD1-CZ 3.86Å; D201-R204 IonicContact OD1-NH1 2.79Å; D201-R204 PolarHBondContact OD1-NH1 2.65Å; A202-R204 VanDerWaalsContact C-N 3.34Å; A202-R204 PolarHBondContact O-N 2.75Å; R204-R208 WeakPolarHBondContact O-CB 3.43Å; R204-R208 VanDerWaalsContact O-CG 3.26Å; R204-R208 WeakPolarHBondContact O-CG 3.25Å; R204-R208 PolarHBondContact O-N 3.38Å; R204-L396 HydrophobicContact CG-CB 3.73Å; R204-L396 HydrophobicContact CG-CD1 4.37Å; R204-E397 IonicContact CZ-OE1 3.53Å; R204-E397 IonicContact CZ-OE2 3.5Å; R204-E397 IonicContact NE-OE2 3.59Å; R204-E397 IonicContact NH2-OE1 2.74Å; R204-E397 PolarHBondContact NH2-OE1 2.62Å; R204-E397 IonicContact NH2-OE2 2.84Å; R204-E397 PolarHBondContact NH2-OE2 3.1Å
205	A	92.8	Very high	94.6	Very high	36 Å²	36	40 Å²	40	30%	0.298	21%	0.212	S	C	.	.	H	α-helix	trans	-64.9	-47.8	177.3	0	0	0	0	0	111.5	D201 A202 V203 A207 R208 Q209 M382	D201-A205 PolarHBondContact O-N 3.19Å; A202-A205 PolarHBondContact O-N 3.13Å; V203-A205 VanDerWaalsContact C-N 3.35Å; V203-A205 PolarHBondContact O-N 3.4Å; A205-A207 PolarHBondContact O-N 2.88Å; A205-R208 PolarHBondContact O-N 3.38Å; A205-Q209 PolarHBondContact O-N 3.01Å; A205-M382 HydrophobicContact CB-CE 4.28Å
206	E	93.3	Very high	94.2	Very high	40 Å²	40	35.4 Å²	35.4	19%	0.187	19%	0.188	C	C	.	.	H	α-helix	trans	-60.1	-45.6	175.2	-70.3	-177.9	-148.1	0	0	111.5	R155 A202 V203 R208 Q209 G210 M382 F386	R155-E206 IonicContact CZ-OE1 3.31Å; R155-E206 VanDerWaalsContact CZ-OE1 3.27Å; R155-E206 IonicContact CZ-OE2 3.57Å; R155-E206 IonicContact NH1-OE1 3.58Å; R155-E206 PolarHBondContact NH1-OE1 3.35Å; R155-E206 IonicContact NH1-OE2 2.87Å; R155-E206 IonicContact NH2-OE1 2.95Å; R155-E206 PolarHBondContact NH2-OE1 2.94Å; R155-E206 IonicContact NH2-OE2 2.78Å; R155-E206 PolarHBondContact NH2-OE2 3.29Å; R155-E206 VanDerWaalsContact NH2-OE2 3.12Å; A202-E206 PolarHBondContact O-N 2.93Å; V203-E206 PolarHBondContact O-N 2.94Å; E206-R208 VanDerWaalsContact C-N 3.33Å; E206-R208 PolarHBondContact O-N 2.9Å; E206-Q209 WeakPolarHBondContact O-CB 3.17Å; E206-Q209 PolarHBondContact O-N 3.29Å; E206-Q209 VanDerWaalsContact O-N 3.17Å; E206-G210 PolarHBondContact O-N 2.95Å; E206-M382 HydrophobicContact CG-SD 4.46Å; E206-F386 HydrophobicContact CB-CE1 4.15Å; E206-F386 HydrophobicContact CB-CZ 3.9Å; E206-F386 WeakPolarHBondContact OE2-CE1 3.44Å
207	A	94.7	Very high	93.9	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63	-37.4	178.8	0	0	0	0	0	112.3	V203 A205 G210 S211 F386 A388 L393 L396	V203-A207 WeakPolarHBondContact O-CB 3.46Å; V203-A207 PolarHBondContact O-N 2.93Å; A205-A207 PolarHBondContact O-N 2.88Å; A207-G210 PolarHBondContact O-N 3.46Å; A207-S211 WeakPolarHBondContact O-CB 3.49Å; A207-S211 PolarHBondContact O-N 3.49Å; A207-F386 HydrophobicContact CB-CE2 3.94Å; A207-A388 HydrophobicContact CB-CB 3.82Å; A207-A388 WeakPolarHBondContact O-CB 3.27Å; A207-L393 HydrophobicContact CB-CD2 3.71Å; A207-L396 HydrophobicContact CB-CD1 3.66Å
208	R	93.3	Very high	93.6	Very high	120 Å²	120	37.9 Å²	37.9	45%	0.453	20%	0.198	S	C	.	.	H	α-helix	trans	-62.5	-43.7	174.1	-76.9	172.2	-177.7	173.3	3.3	111.2	R204 A205 E206 S211 L212 L393 E397	R204-R208 WeakPolarHBondContact O-CB 3.43Å; R204-R208 VanDerWaalsContact O-CG 3.26Å; R204-R208 WeakPolarHBondContact O-CG 3.25Å; R204-R208 PolarHBondContact O-N 3.38Å; A205-R208 PolarHBondContact O-N 3.38Å; E206-R208 VanDerWaalsContact C-N 3.33Å; E206-R208 PolarHBondContact O-N 2.9Å; R208-S211 PolarHBondContact O-N 3.42Å; R208-L212 WeakPolarHBondContact O-CG 3.17Å; R208-L212 PolarHBondContact O-N 3.1Å; R208-L212 VanDerWaalsContact O-N 3.07Å; R208-L393 HydrophobicContact CG-CD2 4.02Å; R208-E397 IonicContact NH2-OE2 2.96Å; R208-E397 PolarHBondContact NH2-OE2 3.06Å
209	Q	92.9	Very high	93.3	Very high	26 Å²	26	35.1 Å²	35.1	12%	0.121	18%	0.175	C	C	.	.	H	α-helix	trans	-61.4	-44.8	173.7	-62.3	-53.4	-40.2	0	0	111.8	A205 E206 S211 L212 L213 G377 M382	A205-Q209 PolarHBondContact O-N 3.01Å; E206-Q209 WeakPolarHBondContact O-CB 3.17Å; E206-Q209 PolarHBondContact O-N 3.29Å; E206-Q209 VanDerWaalsContact O-N 3.17Å; Q209-S211 VanDerWaalsContact C-N 3.3Å; Q209-S211 PolarHBondContact O-N 3.32Å; Q209-L212 PolarHBondContact O-N 3.29Å; Q209-L213 PolarHBondContact O-N 3.35Å; Q209-G377 PolarHBondContact NE2-O 3.4Å; Q209-M382 HydrophobicContact CG-CB 4.27Å; Q209-M382 HydrophobicContact CG-CG 4.35Å; Q209-M382 HydrophobicContact CG-SD 3.68Å
210	G	93.2	Very high	92.9	Very high	3 Å²	3	31.8 Å²	31.8	3%	0.031	16%	0.158	C	C	.	.	H	α-helix	trans	-59.7	-38.5	175.6	0	0	0	0	0	113.3	E206 A207 L213 R214 F386 L387	E206-G210 PolarHBondContact O-N 2.95Å; A207-G210 PolarHBondContact O-N 3.46Å; G210-L213 PolarHBondContact O-N 2.93Å; G210-R214 PolarHBondContact O-N 3.29Å; G210-F386 VanDerWaalsContact CA-O 3.28Å; G210-F386 WeakPolarHBondContact CA-O 3.32Å; G210-L387 VanDerWaalsContact O-CD2 3.27Å; G210-L387 WeakPolarHBondContact O-CD2 3.33Å
211	S	93.3	Very high	92.5	Very high	8 Å²	8	31.7 Å²	31.7	6%	0.056	16%	0.157	C	C	.	.	H	α-helix	trans	-66.2	-39.1	175.5	-169.3	0	0	0	0	112.1	A207 R208 Q209 R214 E215 A388	A207-S211 WeakPolarHBondContact O-CB 3.49Å; A207-S211 PolarHBondContact O-N 3.49Å; R208-S211 PolarHBondContact O-N 3.42Å; Q209-S211 VanDerWaalsContact C-N 3.3Å; Q209-S211 PolarHBondContact O-N 3.32Å; S211-R214 PolarHBondContact O-N 2.76Å; S211-E215 WeakPolarHBondContact O-CB 3.48Å; S211-E215 PolarHBondContact O-N 2.93Å; S211-A388 WeakPolarHBondContact CA-O 3.38Å
212	L	92	Very high	92	Very high	25 Å²	25	28.6 Å²	28.6	13%	0.131	14%	0.14	C	C	.	.	H	α-helix	trans	-66.9	-37.2	176	-67.5	173.3	0	0	0	112.4	R208 Q209 R214 G216 M376 F378	R208-L212 WeakPolarHBondContact O-CG 3.17Å; R208-L212 PolarHBondContact O-N 3.1Å; R208-L212 VanDerWaalsContact O-N 3.07Å; Q209-L212 PolarHBondContact O-N 3.29Å; L212-R214 PolarHBondContact O-N 3.24Å; L212-G216 WeakPolarHBondContact O-CA 3.35Å; L212-G216 PolarHBondContact O-N 3.36Å; L212-M376 HydrophobicContact CD1-CB 4.36Å; L212-M376 VanDerWaalsContact CD1-O 3.29Å; L212-M376 WeakPolarHBondContact CD1-O 3.43Å; L212-M376 HydrophobicContact CD2-CB 4.06Å; L212-M376 HydrophobicContact CD2-CE 3.63Å; L212-F378 HydrophobicContact CB-CD2 4.11Å; L212-F378 HydrophobicContact CD1-CB 4.08Å; L212-F378 HydrophobicContact CD1-CD2 4.29Å
213	L	90.7	Very high	91.7	Very high	8 Å²	8	26.6 Å²	26.6	4%	0.042	13%	0.125	C	C	.	.	H	α-helix	trans	-63.8	-27.6	174	-73.6	174.7	0	0	0	113	Q139 Q209 G210 P265 F378 L387	Q139-L213 HydrophobicContact CB-CD2 4.32Å; Q139-L213 HydrophobicContact CG-CD1 3.89Å; Q139-L213 HydrophobicContact CG-CD2 3.96Å; Q209-L213 PolarHBondContact O-N 3.35Å; G210-L213 PolarHBondContact O-N 2.93Å; L213-P265 VanDerWaalsContact O-CD 3.25Å; L213-P265 WeakPolarHBondContact O-CD 3.22Å; L213-P265 VanDerWaalsContact O-CG 3.29Å; L213-P265 WeakPolarHBondContact O-CG 3Å; L213-F378 HydrophobicContact CD2-CE2 3.56Å; L213-F378 HydrophobicContact CD2-CZ 3.62Å; L213-F378 HydrophobicContact CG-CE2 3.87Å; L213-F378 HydrophobicContact CG-CZ 4.41Å; L213-L387 HydrophobicContact CB-CD2 3.72Å; L213-L387 HydrophobicContact CD1-CD2 4.44Å
214	R	89.3	Confident	91.1	Very high	88 Å²	88	32.8 Å²	32.8	33%	0.332	15%	0.148	S	C	.	.	H	α-helix	trans	-87.9	-52.7	-179.4	-174.1	-177.5	179.1	-76.2	-10.6	112.5	D131 G210 S211 L212 L387	D131-R214 IonicContact OD1-CZ 2.84Å; D131-R214 IonicContact OD1-NE 2.68Å; D131-R214 PolarHBondContact OD1-NE 3.3Å; D131-R214 IonicContact OD1-NH2 3.3Å; D131-R214 PolarHBondContact OD1-NH2 2.89Å; D131-R214 IonicContact OD2-NE 3.94Å; G210-R214 PolarHBondContact O-N 3.29Å; S211-R214 PolarHBondContact O-N 2.76Å; L212-R214 PolarHBondContact O-N 3.24Å; R214-L387 HydrophobicContact CB-CD2 4.39Å
215	E	88.3	Confident	90.3	Very high	80 Å²	80	36.4 Å²	36.4	37%	0.374	18%	0.175	S	C	.	.	H	α-helix	trans	-88.3	-22.3	-172.7	-62.4	-175.4	174.5	0	0	112.7	S211 H267	S211-E215 WeakPolarHBondContact O-CB 3.48Å; S211-E215 PolarHBondContact O-N 2.93Å; E215-H267 PolarHBondContact O-CD2 2.95Å; E215-H267 PolarHBondContact O-NE2 3.48Å
216	G	89.7	Confident	89.8	Confident	5 Å²	5	41.4 Å²	41.4	5%	0.052	20%	0.197	C	C	.	.			trans	61.4	-155.2	-178	0	0	0	0	0	113.3	L212 P265	L212-G216 WeakPolarHBondContact O-CA 3.35Å; L212-G216 PolarHBondContact O-N 3.36Å; G216-P265 CarbonylContact C-O 3.5Å; G216-P265 WeakPolarHBondContact CA-O 3.46Å
217	M	91.7	Very high	89.5	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	130.1	177.2	176.7	-172.4	-171	0	0	110	V219 M264 P265 L266 H267 D297 R298 L372 M376	M217-V219 HydrophobicContact CE-CG2 3.83Å; M217-V219 HydrophobicContact CG-CG2 3.7Å; M217-V219 HydrophobicContact SD-CG2 3.74Å; M217-M264 HydrophobicContact CB-CE 4.38Å; M217-P265 PolarHBondContact N-O 3.36Å; M217-L266 HydrophobicContact CB-CD1 3.76Å; M217-L266 HydrophobicContact CG-CD1 4.03Å; M217-L266 WeakPolarHBondContact O-CA 2.92Å; M217-L266 HydrophobicContact SD-CD1 3.98Å; M217-H267 PolarHBondContact O-N 3.42Å; M217-D297 HydrophobicContact CE-CB 4.43Å; M217-D297 HydrophobicContact CG-CB 4.01Å; M217-R298 HydrophobicContact CE-CB 3.34Å; M217-R298 HydrophobicContact CE-CG 4.11Å; M217-L372 HydrophobicContact CE-CD2 3.84Å; M217-L372 HydrophobicContact SD-CB 4.32Å; M217-L372 HydrophobicContact SD-CD2 3.95Å; M217-M376 HydrophobicContact CB-CE 4.1Å; M217-M376 HydrophobicContact CB-CG 3.84Å; M217-M376 HydrophobicContact CB-SD 3.99Å; M217-M376 HydrophobicContact CE-CG 4.27Å; M217-M376 HydrophobicContact CE-SD 4.12Å; M217-M376 HydrophobicContact CG-CE 4.28Å; M217-M376 HydrophobicContact CG-CG 3.78Å; M217-M376 HydrophobicContact CG-SD 3.62Å; M217-M376 HydrophobicContact SD-CG 3.48Å; M217-M376 WeakPolarHBondContact SD-CG 3.36Å; M217-M376 HydrophobicContact SD-SD 3.89Å
218	K	91.4	Very high	89.2	Confident	75 Å²	75	40.2 Å²	40.2	33%	0.326	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	114.9	173.3	-66.5	179	-179.5	179.9	0	109.7	H267 Q295 D297 R298	K218-H267 HydrophobicContact CG-CB 4.12Å; K218-Q295 WeakPolarHBondContact CD-O 3.28Å; K218-D297 PolarHBondContact N-OD2 2.85Å; K218-D297 PolarHBondContact O-N 2.81Å; K218-R298 PolarHBondContact O-N 2.84Å
219	V	92.2	Very high	88.9	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	126.8	-177.5	176.9	0	0	0	0	110.6	M217 L266 H267 I268 I269 R298 L300 L372	M217-V219 HydrophobicContact CE-CG2 3.83Å; M217-V219 HydrophobicContact CG-CG2 3.7Å; M217-V219 HydrophobicContact SD-CG2 3.74Å; V219-L266 HydrophobicContact CB-CD1 4.25Å; V219-L266 HydrophobicContact CB-CD2 4.49Å; V219-L266 HydrophobicContact CB-CG 4.27Å; V219-L266 HydrophobicContact CG2-CD1 3.42Å; V219-L266 VanDerWaalsContact CG2-CD1 3.42Å; V219-L266 HydrophobicContact CG2-CD2 4.33Å; V219-L266 HydrophobicContact CG2-CG 3.97Å; V219-H267 PolarHBondContact N-O 3.04Å; V219-I268 CarbonylContact O-C 3.6Å; V219-I268 VanDerWaalsContact O-CA 3.31Å; V219-I268 WeakPolarHBondContact O-CA 3.46Å; V219-I269 PolarHBondContact O-N 2.94Å; V219-R298 WeakPolarHBondContact CA-O 3.32Å; V219-L300 HydrophobicContact CG1-CB 4.39Å; V219-L300 HydrophobicContact CG1-CD1 3.68Å; V219-L300 HydrophobicContact CG1-CG 3.54Å; V219-L372 HydrophobicContact CG2-CD2 4.22Å
220	V	90.2	Very high	88.4	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	127.2	171.6	168.8	0	0	0	0	108.7	A222 I269 T271 I293 A296 R298 V299 L300	V220-A222 HydrophobicContact CG1-CB 4.26Å; V220-I269 HydrophobicContact CG2-CB 4.06Å; V220-I269 HydrophobicContact CG2-CD1 4.26Å; V220-I269 HydrophobicContact CG2-CG2 4.35Å; V220-T271 HydrophobicContact CG1-CG2 3.35Å; V220-I293 HydrophobicContact CB-CG1 4.43Å; V220-I293 HydrophobicContact CG1-CD1 4.29Å; V220-I293 HydrophobicContact CG1-CG1 3.8Å; V220-I293 HydrophobicContact CG2-CB 4.3Å; V220-I293 HydrophobicContact CG2-CG1 3.78Å; V220-A296 HydrophobicContact CB-CB 4.35Å; V220-A296 HydrophobicContact CG2-CB 3.43Å; V220-A296 VanDerWaalsContact CG2-CB 3.43Å; V220-R298 PolarHBondContact N-O 2.81Å; V220-V299 HydrophobicContact CB-CG2 4.24Å; V220-V299 HydrophobicContact CG1-CG1 4.36Å; V220-V299 HydrophobicContact CG1-CG2 4.44Å; V220-V299 CarbonylContact O-C 3.3Å; V220-V299 WeakPolarHBondContact O-CA 3.46Å; V220-L300 PolarHBondContact O-N 3.43Å
221	I	89.5	Confident	88.1	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	109.5	167.5	-58.9	-176.3	0	0	0	108.4	K229 L232 L233 I268 I269 T271 L300 M302	I221-K229 HydrophobicContact CG2-CB 3.87Å; I221-K229 HydrophobicContact CG2-CD 3.95Å; I221-K229 HydrophobicContact CG2-CG 3.74Å; I221-L232 HydrophobicContact CD1-CD2 4.36Å; I221-L233 HydrophobicContact CD1-CD2 3.54Å; I221-L233 HydrophobicContact CD1-CG 3.9Å; I221-I268 HydrophobicContact CB-CG2 4.45Å; I221-I268 HydrophobicContact CD1-CD1 4.43Å; I221-I268 HydrophobicContact CD1-CG2 3.58Å; I221-I268 HydrophobicContact CG1-CG2 3.65Å; I221-I269 PolarHBondContact N-O 3.32Å; I221-T271 PolarHBondContact O-N 2.82Å; I221-T271 PolarHBondContact O-OG1 2.9Å; I221-T271 VanDerWaalsContact O-OG1 3.1Å; I221-L300 HydrophobicContact CG1-CB 4.25Å; I221-L300 HydrophobicContact CG1-CD1 4.26Å; I221-M302 HydrophobicContact CG2-CG 3.73Å
222	A	88.3	Confident	87.9	Confident	1 Å²	1	39.7 Å²	39.7	1%	0.008	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	150.7	178.1	0	0	0	0	0	111.7	V220 T271 V299 L300 F301 M302 F320	V220-A222 HydrophobicContact CG1-CB 4.26Å; A222-T271 VanDerWaalsContact CA-OG1 3.3Å; A222-T271 WeakPolarHBondContact CA-OG1 3.26Å; A222-T271 HydrophobicContact CB-CG2 4.31Å; A222-V299 HydrophobicContact CB-CG1 4.05Å; A222-L300 PolarHBondContact N-O 2.79Å; A222-L300 VanDerWaalsContact O-O 3.13Å; A222-F301 HydrophobicContact CB-CD2 4.46Å; A222-F301 CarbonylContact O-C 3.58Å; A222-F301 WeakPolarHBondContact O-CA 3.48Å; A222-M302 WeakPolarHBondContact O-CB 3.27Å; A222-M302 PolarHBondContact O-N 2.94Å; A222-F320 HydrophobicContact CB-CE1 3.62Å; A222-F320 HydrophobicContact CB-CE2 4.16Å; A222-F320 HydrophobicContact CB-CZ 3.31Å
223	G	86.6	Confident	87.6	Confident	5 Å²	5	38.7 Å²	38.7	5%	0.052	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161	158.5	178.4	0	0	0	0	0	112	K229 M302	G223-K229 PolarHBondContact O-NZ 3.15Å; G223-M302 WeakPolarHBondContact CA-O 3.47Å
224	R	84.2	Confident	87.2	Confident	135 Å²	135	43 Å²	43	51%	0.509	23%	0.228	S	C	.	.			trans	-59.7	161.9	-179.8	-71	-173	178.5	-173.6	1.8	111.7	A227 K229 I316 W317	R224-A227 VanDerWaalsContact O-CB 3.22Å; R224-A227 WeakPolarHBondContact O-CB 3.49Å; R224-A227 PolarHBondContact O-N 3.35Å; R224-K229 PolarHBondContact O-NZ 3.45Å; R224-I316 PolarHBondContact NH2-O 3.14Å; R224-W317 HydrophobicContact CG-CD2 4.36Å; R224-W317 HydrophobicContact CG-CE3 3.82Å; R224-W317 HydrophobicContact CG-CH2 4.3Å; R224-W317 HydrophobicContact CG-CZ3 3.82Å
225	P	78.7	Confident	87.1	Confident	110 Å²	110	39.7 Å²	39.7	71%	0.714	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51	143.8	170.4	-26.8	35.7	0	0	0	111.4	A227	P225-A227 PolarHBondContact O-N 2.76Å; P225-A227 VanDerWaalsContact O-N 3.11Å
226	N	82.1	Confident	87.1	Confident	140 Å²	140	36 Å²	36	75%	0.749	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.4	10.1	-179.9	-52.3	-38.8	0	0	0	116.5	G228 K336	N226-G228 PolarHBondContact O-N 3.13Å; N226-K336 WeakPolarHBondContact O-CE 3.44Å; N226-K336 PolarHBondContact O-NZ 3.15Å; N226-K336 VanDerWaalsContact O-NZ 3.13Å
227	A	87	Confident	86.6	Confident	2 Å²	2	36 Å²	36	2%	0.017	20%	0.202	C	C	.	.	S	Bend	trans	-65.1	-14.2	171	0	0	0	0	0	113.5	R224 P225 M302 N335	R224-A227 VanDerWaalsContact O-CB 3.22Å; R224-A227 WeakPolarHBondContact O-CB 3.49Å; R224-A227 PolarHBondContact O-N 3.35Å; P225-A227 PolarHBondContact O-N 2.76Å; P225-A227 VanDerWaalsContact O-N 3.11Å; A227-M302 HydrophobicContact CB-CB 4.06Å; A227-M302 WeakPolarHBondContact O-CE 3.43Å; A227-N335 PolarHBondContact O-ND2 3.46Å
228	G	88.5	Confident	85.2	Confident	13 Å²	13	39.2 Å²	39.2	13%	0.134	23%	0.234	C	C	.	.			trans	92.8	26.7	177.6	0	0	0	0	0	115	N226 S230 S231 L232	N226-G228 PolarHBondContact O-N 3.13Å; G228-S230 PolarHBondContact O-N 3Å; G228-S231 WeakPolarHBondContact O-CB 3.47Å; G228-S231 PolarHBondContact O-N 2.92Å; G228-S231 VanDerWaalsContact O-N 3.17Å; G228-L232 PolarHBondContact O-N 3.43Å
229	K	86.7	Confident	83.4	Confident	21 Å²	21	42 Å²	42	9%	0.091	24%	0.243	C	C	.	.	H	α-helix	trans	-52	-54	175.8	-60.7	-169.1	-69	-78.4	0	112.6	I221 G223 R224 S231 L232 L233 M302	I221-K229 HydrophobicContact CG2-CB 3.87Å; I221-K229 HydrophobicContact CG2-CD 3.95Å; I221-K229 HydrophobicContact CG2-CG 3.74Å; G223-K229 PolarHBondContact O-NZ 3.15Å; R224-K229 PolarHBondContact O-NZ 3.45Å; K229-S231 VanDerWaalsContact C-N 3.28Å; K229-S231 PolarHBondContact O-N 3.36Å; K229-L232 WeakPolarHBondContact O-CB 3.17Å; K229-L232 PolarHBondContact O-N 3.13Å; K229-L233 PolarHBondContact O-N 3.32Å; K229-M302 HydrophobicContact CG-CB 4.15Å; K229-M302 HydrophobicContact CG-CG 4.15Å
230	S	81.9	Confident	81.3	Confident	71 Å²	71	50.8 Å²	50.8	50%	0.497	28%	0.284	S	S	.	.	H	α-helix	trans	-64.5	-30.7	178.3	-44.3	0	0	0	0	113.2	G228 N234	G228-S230 PolarHBondContact O-N 3Å; S230-N234 WeakPolarHBondContact O-CB 3.45Å; S230-N234 PolarHBondContact O-N 3.18Å; S230-N234 VanDerWaalsContact O-N 3.1Å; S230-N234 PolarHBondContact O-ND2 3.31Å
231	S	86.9	Confident	79.1	Confident	54 Å²	54	51.8 Å²	51.8	38%	0.378	29%	0.292	S	S	.	.	H	α-helix	trans	-68.3	-39.5	172.1	-55.8	0	0	0	0	111.1	G228 K229 N234 A235	G228-S231 WeakPolarHBondContact O-CB 3.47Å; G228-S231 PolarHBondContact O-N 2.92Å; G228-S231 VanDerWaalsContact O-N 3.17Å; K229-S231 VanDerWaalsContact C-N 3.28Å; K229-S231 PolarHBondContact O-N 3.36Å; S231-N234 PolarHBondContact O-N 3.02Å; S231-A235 WeakPolarHBondContact O-CB 3.35Å; S231-A235 PolarHBondContact O-N 2.86Å
232	L	90.1	Very high	76.8	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-67	-44	177.2	-178.1	65	0	0	0	111.2	I221 G228 K229 N234 A235 L236 L300 M302 L357 A359 V365 L368	I221-L232 HydrophobicContact CD1-CD2 4.36Å; G228-L232 PolarHBondContact O-N 3.43Å; K229-L232 WeakPolarHBondContact O-CB 3.17Å; K229-L232 PolarHBondContact O-N 3.13Å; L232-N234 VanDerWaalsContact C-N 3.34Å; L232-N234 PolarHBondContact O-N 2.8Å; L232-A235 PolarHBondContact O-N 2.72Å; L232-A235 VanDerWaalsContact O-N 3.12Å; L232-L236 HydrophobicContact CD1-CD1 4.4Å; L232-L236 HydrophobicContact CD1-CG 4.24Å; L232-L236 HydrophobicContact CD2-CD1 4.44Å; L232-L236 HydrophobicContact CG-CD1 4Å; L232-L236 HydrophobicContact CG-CG 4.29Å; L232-L236 WeakPolarHBondContact O-CB 3.47Å; L232-L236 WeakPolarHBondContact O-CG 3.47Å; L232-L236 PolarHBondContact O-N 2.7Å; L232-L300 HydrophobicContact CD2-CD1 4.3Å; L232-M302 HydrophobicContact CB-CE 3.98Å; L232-M302 HydrophobicContact CB-SD 4.26Å; L232-M302 HydrophobicContact CD2-CE 4.2Å; L232-M302 HydrophobicContact CD2-CG 4.25Å; L232-M302 HydrophobicContact CD2-SD 3.37Å; L232-M302 WeakPolarHBondContact CD2-SD 3.48Å; L232-M302 HydrophobicContact CG-SD 4.35Å; L232-L357 HydrophobicContact CD1-CD1 4.23Å; L232-L357 HydrophobicContact CD1-CD2 4.12Å; L232-A359 HydrophobicContact CB-CB 4.04Å; L232-A359 HydrophobicContact CD1-CB 4.37Å; L232-V365 HydrophobicContact CD1-CG2 4.46Å; L232-L368 HydrophobicContact CD1-CD2 3.76Å; L232-L368 HydrophobicContact CD2-CD2 3.91Å; L232-L368 HydrophobicContact CG-CD2 4.31Å
233	L	85.5	Confident	74.5	Confident	4 Å²	4	58.6 Å²	58.6	2%	0.021	34%	0.336	C	S	.	.	H	α-helix	trans	-51.9	-54.1	173.1	-76.1	172.8	0	0	0	110.8	I221 K229 A235 L236 A237 I268	I221-L233 HydrophobicContact CD1-CD2 3.54Å; I221-L233 HydrophobicContact CD1-CG 3.9Å; K229-L233 PolarHBondContact O-N 3.32Å; L233-A235 VanDerWaalsContact C-N 3.29Å; L233-A235 PolarHBondContact O-N 2.95Å; L233-L236 PolarHBondContact O-N 2.92Å; L233-A237 WeakPolarHBondContact O-CB 3.45Å; L233-A237 PolarHBondContact O-N 3.21Å; L233-I268 HydrophobicContact CD2-CB 3.99Å; L233-I268 HydrophobicContact CD2-CD1 3.44Å; L233-I268 VanDerWaalsContact CD2-CD1 3.44Å; L233-I268 HydrophobicContact CD2-CG1 4.32Å; L233-I268 HydrophobicContact CD2-CG2 3.48Å; L233-I268 VanDerWaalsContact CD2-CG2 3.48Å
234	N	82.9	Confident	72.4	Confident	99 Å²	99	61.1 Å²	61.1	53%	0.529	35%	0.35	S	S	.	.	H	α-helix	trans	-61.4	-36.2	177.5	-74.8	-46	0	0	0	112.9	S230 S231 L232 A237 G238	S230-N234 WeakPolarHBondContact O-CB 3.45Å; S230-N234 PolarHBondContact O-N 3.18Å; S230-N234 VanDerWaalsContact O-N 3.1Å; S230-N234 PolarHBondContact O-ND2 3.31Å; S231-N234 PolarHBondContact O-N 3.02Å; L232-N234 VanDerWaalsContact C-N 3.34Å; L232-N234 PolarHBondContact O-N 2.8Å; N234-A237 PolarHBondContact O-N 3.43Å; N234-G238 WeakPolarHBondContact O-CA 3.33Å; N234-G238 PolarHBondContact O-N 3.08Å
235	A	87.5	Confident	70.4	Confident	18 Å²	18	59.3 Å²	59.3	15%	0.149	35%	0.354	C	S	.	.	H	α-helix	trans	-72.4	-35.7	178.8	0	0	0	0	0	112.7	S231 L232 L233 V365	S231-A235 WeakPolarHBondContact O-CB 3.35Å; S231-A235 PolarHBondContact O-N 2.86Å; L232-A235 PolarHBondContact O-N 2.72Å; L232-A235 VanDerWaalsContact O-N 3.12Å; L233-A235 VanDerWaalsContact C-N 3.29Å; L233-A235 PolarHBondContact O-N 2.95Å; A235-V365 HydrophobicContact CB-CG1 4.33Å; A235-V365 HydrophobicContact CB-CG2 3.98Å
236	L	87.3	Confident	68.7	Low	2 Å²	2	60 Å²	60	1%	0.01	35%	0.352	C	S	.	.	H	α-helix	trans	-69.4	-37.8	172.5	-71.8	171.3	0	0	0	111	L232 L233 I259 I268 V365 L368 R369	L232-L236 HydrophobicContact CD1-CD1 4.4Å; L232-L236 HydrophobicContact CD1-CG 4.24Å; L232-L236 HydrophobicContact CD2-CD1 4.44Å; L232-L236 HydrophobicContact CG-CD1 4Å; L232-L236 HydrophobicContact CG-CG 4.29Å; L232-L236 WeakPolarHBondContact O-CB 3.47Å; L232-L236 WeakPolarHBondContact O-CG 3.47Å; L232-L236 PolarHBondContact O-N 2.7Å; L233-L236 PolarHBondContact O-N 2.92Å; L236-I259 HydrophobicContact CB-CD1 3.42Å; L236-I259 VanDerWaalsContact CB-CD1 3.42Å; L236-I259 HydrophobicContact CD1-CD1 4.41Å; L236-I259 HydrophobicContact CG-CD1 4.47Å; L236-I268 HydrophobicContact CD1-CD1 4.4Å; L236-V365 HydrophobicContact CD2-CG1 3.87Å; L236-V365 HydrophobicContact CG-CG1 4.4Å; L236-L368 HydrophobicContact CD1-CD2 4.38Å; L236-L368 HydrophobicContact CD2-CD2 4.13Å; L236-R369 HydrophobicContact CD2-CG 3.89Å
237	A	78.7	Confident	66.9	Low	6 Å²	6	59.2 Å²	59.2	5%	0.05	35%	0.347	C	S	.	.	H	α-helix	trans	-73.3	-42.5	177.6	0	0	0	0	0	112.9	L233 N234 R239 E240 A241 I243 I259	L233-A237 WeakPolarHBondContact O-CB 3.45Å; L233-A237 PolarHBondContact O-N 3.21Å; N234-A237 PolarHBondContact O-N 3.43Å; A237-R239 PolarHBondContact O-N 3.27Å; A237-E240 PolarHBondContact O-N 2.74Å; A237-A241 VanDerWaalsContact CA-CB 3.43Å; A237-A241 HydrophobicContact CB-CB 3.95Å; A237-A241 WeakPolarHBondContact O-CA 3.19Å; A237-A241 WeakPolarHBondContact O-CB 3.47Å; A237-A241 PolarHBondContact O-N 2.93Å; A237-I243 HydrophobicContact CB-CG1 4.32Å; A237-I259 HydrophobicContact CB-CG2 4.01Å
238	G	64.1	Low	64.4	Low	67 Å²	67	64.4 Å²	64.4	69%	0.691	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	5.6	-162.1	0	0	0	0	0	117.5	N234	N234-G238 WeakPolarHBondContact O-CA 3.33Å; N234-G238 PolarHBondContact O-N 3.08Å
239	R	53.6	Low	62	Low	134 Å²	134	67.1 Å²	67.1	51%	0.506	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-22.9	173.1	-78.4	-172.5	-178.3	175.3	0.5	114.5	A237 E366	A237-R239 PolarHBondContact O-N 3.27Å; R239-E366 IonicContact NH1-OE2 3.78Å; R239-E366 PolarHBondContact NH1-OE2 2.95Å
240	E	47.5	Very low	59.8	Low	184 Å²	184	69.4 Å²	69.4	86%	0.86	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-179.1	14.6	174.4	-111.1	165.2	-148.6	0	0	113.2	A237	A237-E240 PolarHBondContact O-N 2.74Å
241	A	44.7	Very low	57.6	Low	21 Å²	21	72 Å²	72	17%	0.174	45%	0.446	C	S	.	.			trans	-85.7	122.9	-176.5	0	0	0	0	0	111.2	A237 I243 I259	A237-A241 VanDerWaalsContact CA-CB 3.43Å; A237-A241 HydrophobicContact CB-CB 3.95Å; A237-A241 WeakPolarHBondContact O-CA 3.19Å; A237-A241 WeakPolarHBondContact O-CB 3.47Å; A237-A241 PolarHBondContact O-N 2.93Å; A241-I243 PolarHBondContact O-N 3.05Å; A241-I259 HydrophobicContact CB-CB 3.89Å; A241-I259 HydrophobicContact CB-CG2 4.26Å
242	A	39.5	Very low	55.4	Low	59 Å²	59	78.9 Å²	78.9	49%	0.488	46%	0.464	S	S	.	.			trans	-69.8	113.2	157.5	0	0	0	0	0	107.4	V244	A242-V244 VanDerWaalsContact C-N 3.31Å; A242-V244 HydrophobicContact CB-CG2 4.1Å; A242-V244 PolarHBondContact O-N 3.02Å
243	I	41.8	Very low	53.3	Low	86 Å²	86	82.4 Å²	82.4	44%	0.441	48%	0.483	S	S	.	.			trans	-68.7	98.9	165.1	-61.7	172.9	0	0	0	106	A237 A241 T245	A237-I243 HydrophobicContact CB-CG1 4.32Å; A241-I243 PolarHBondContact O-N 3.05Å; I243-T245 HydrophobicContact CG2-CG2 3.61Å; I243-T245 PolarHBondContact O-N 2.85Å
244	V	42.1	Very low	51.5	Low	58 Å²	58	84.1 Å²	84.1	35%	0.352	49%	0.493	S	S	.	.			trans	-94.8	89.4	169.6	-171.4	0	0	0	0	106.3	A242 D246	A242-V244 VanDerWaalsContact C-N 3.31Å; A242-V244 HydrophobicContact CB-CG2 4.1Å; A242-V244 PolarHBondContact O-N 3.02Å; V244-D246 PolarHBondContact O-N 3.48Å
245	T	42.6	Very low	50.1	Low	97 Å²	97	85 Å²	85	60%	0.595	50%	0.497	S	S	*	.			trans	-82.4	100.7	166.6	51.5	0	0	0	0	107.5	I243	I243-T245 HydrophobicContact CG2-CG2 3.61Å; I243-T245 PolarHBondContact O-N 2.85Å
246	D	42.1	Very low	48.9	Very low	125 Å²	125	90.5 Å²	90.5	67%	0.668	51%	0.514	S	S	*	.			trans	-77.6	143.2	160.9	-76.2	-30.2	0	0	0	109.3	V244	V244-D246 PolarHBondContact O-N 3.48Å
247	I	44.3	Very low	48.2	Very low	123 Å²	123	92.2 Å²	92.2	63%	0.631	52%	0.522	S	S	*	.			trans	96.4	84.5	170.9	-44.8	158.9	0	0	0	115	G249 T250	I247-G249 PolarHBondContact O-N 3Å; I247-T250 HydrophobicContact CG2-CG2 3.59Å
248	A	35.1	Very low	48.2	Very low	110 Å²	110	94.5 Å²	94.5	91%	0.909	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	117.7	151	0	0	0	0	0	109.4
249	G	37.6	Very low	49.2	Very low	71 Å²	71	91.3 Å²	91.3	73%	0.732	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	121.8	1.1	162.2	0	0	0	0	0	118	I247 T251	I247-G249 PolarHBondContact O-N 3Å; G249-T251 PolarHBondContact O-N 2.84Å
250	T	39.5	Very low	50.6	Low	69 Å²	69	85.9 Å²	85.9	42%	0.423	48%	0.479	S	S	.	.			trans	-86	95.4	175.3	43.7	0	0	0	0	111.1	I247 R252 D253	I247-T250 HydrophobicContact CG2-CG2 3.59Å; T250-R252 PolarHBondContact O-N 3.33Å; T250-R252 VanDerWaalsContact O-N 3.14Å; T250-D253 WeakPolarHBondContact CB-OD2 3.45Å; T250-D253 VanDerWaalsContact CG2-OD2 3.22Å; T250-D253 WeakPolarHBondContact CG2-OD2 3.46Å
251	T	36.2	Very low	52.5	Low	125 Å²	125	77.1 Å²	77.1	77%	0.767	44%	0.438	S	S	*	.	S	Bend	trans	-58.7	112.5	168	47.2	0	0	0	0	110.3	G249 D253	G249-T251 PolarHBondContact O-N 2.84Å; T251-D253 VanDerWaalsContact C-N 3.3Å; T251-D253 PolarHBondContact O-N 3.39Å
252	R	41.1	Very low	54.3	Low	198 Å²	198	78.6 Å²	78.6	75%	0.747	44%	0.443	S	S	*	.	S	Bend	trans	67.2	11	168	-65.7	179.4	166.5	-177.6	-7.4	117.5	T250	T250-R252 PolarHBondContact O-N 3.33Å; T250-R252 VanDerWaalsContact O-N 3.14Å
253	D	45.1	Very low	56.4	Low	75 Å²	75	76.5 Å²	76.5	40%	0.401	43%	0.427	S	S	.	.			trans	-70.3	146.1	170.1	-69.2	-44.5	0	0	0	110.1	T250 T251 L255 R288	T250-D253 WeakPolarHBondContact CB-OD2 3.45Å; T250-D253 VanDerWaalsContact CG2-OD2 3.22Å; T250-D253 WeakPolarHBondContact CG2-OD2 3.46Å; T251-D253 VanDerWaalsContact C-N 3.3Å; T251-D253 PolarHBondContact O-N 3.39Å; D253-L255 PolarHBondContact O-N 3.48Å; D253-R288 IonicContact OD1-NH1 3.38Å
254	V	48.9	Very low	58.6	Low	39 Å²	39	72.4 Å²	72.4	24%	0.236	41%	0.406	C	S	.	.			trans	-44.1	115	178.5	-178.4	0	0	0	0	108.9	R256 I269 A289	V254-R256 PolarHBondContact O-N 2.58Å; V254-I269 HydrophobicContact CG1-CB 4.44Å; V254-I269 HydrophobicContact CG1-CG2 3.36Å; V254-A289 HydrophobicContact CG2-CB 4.12Å
255	L	52.7	Low	60.8	Low	118 Å²	118	69.8 Å²	69.8	62%	0.618	39%	0.391	S	S	*	.			trans	-58.2	106.4	178.1	-84.1	147.2	0	0	0	107.2	D253 D270	D253-L255 PolarHBondContact O-N 3.48Å; L255-D270 PolarHBondContact O-N 3.32Å
256	R	62.2	Low	63	Low	133 Å²	133	65.2 Å²	65.2	50%	0.502	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	111.8	172.5	-73.1	-176.2	-179.1	153	-1.8	107.2	V254 I268 E292	V254-R256 PolarHBondContact O-N 2.58Å; R256-I268 WeakPolarHBondContact CA-O 3.49Å; R256-E292 IonicContact CZ-OE2 3.93Å; R256-E292 IonicContact NE-OE2 3.09Å; R256-E292 IonicContact NH2-OE1 3.82Å; R256-E292 PolarHBondContact NH2-OE1 3.08Å; R256-E292 IonicContact NH2-OE2 3.86Å; R256-E292 PolarHBondContact NH2-OE2 2.92Å
257	E	72.7	Confident	65.2	Low	39 Å²	39	61.3 Å²	61.3	18%	0.182	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	129.5	172	-68.4	-175.5	-163.3	0	0	108.6	I268	E257-I268 PolarHBondContact N-O 3.2Å; E257-I268 PolarHBondContact O-N 3.18Å
258	H	78	Confident	67.1	Low	54 Å²	54	55.5 Å²	55.5	25%	0.25	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	113.1	174.4	-65.1	-103.9	0	0	0	107.5	H267	H258-H267 AromaticContact CE1-CE1 3.65Å; H258-H267 AromaticContact CE1-ND1 3.13Å; H258-H267 PolarHBondContact CE1-ND1 3.31Å; H258-H267 AromaticContact ND1-CE1 3.4Å; H258-H267 PolarHBondContact ND1-CE1 3.46Å; H258-H267 AromaticContact ND1-ND1 2.97Å; H258-H267 PolarHBondContact ND1-ND1 2.88Å
259	I	85.4	Confident	69.3	Low	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	171.8	173	71.1	164.1	0	0	0	109.7	L236 A237 A241 L266 I268	L236-I259 HydrophobicContact CB-CD1 3.42Å; L236-I259 VanDerWaalsContact CB-CD1 3.42Å; L236-I259 HydrophobicContact CD1-CD1 4.41Å; L236-I259 HydrophobicContact CG-CD1 4.47Å; A237-I259 HydrophobicContact CB-CG2 4.01Å; A241-I259 HydrophobicContact CB-CB 3.89Å; A241-I259 HydrophobicContact CB-CG2 4.26Å; I259-L266 HydrophobicContact CD1-CB 4.5Å; I259-L266 HydrophobicContact CD1-CD2 4.08Å; I259-L266 HydrophobicContact CG1-CB 3.74Å; I259-L266 HydrophobicContact CG1-CD2 4.19Å; I259-L266 PolarHBondContact N-O 3.4Å; I259-L266 VanDerWaalsContact N-O 3.16Å; I259-L266 PolarHBondContact O-N 3.04Å; I259-I268 HydrophobicContact CD1-CD1 3.54Å; I259-I268 HydrophobicContact CG1-CD1 3.74Å; I259-I268 HydrophobicContact CG1-CG1 4.33Å
260	H	84.5	Confident	71	Confident	20 Å²	20	48.1 Å²	48.1	9%	0.093	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	136.8	178.9	-53.5	90.5	0	0	0	111.1	S136 M264	S136-H260 VanDerWaalsContact C-NE2 3.34Å; S136-H260 WeakPolarHBondContact CB-NE2 3.36Å; S136-H260 PolarHBondContact O-CE1 3.44Å; S136-H260 PolarHBondContact O-NE2 2.67Å; S136-H260 PolarHBondContact OG-NE2 3.28Å; H260-M264 WeakPolarHBondContact CA-O 3.4Å
261	I	86.1	Confident	72.4	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	101.7	169	-59.4	177.9	0	0	0	107	G263 M264 L266 R369 L372 K373	I261-G263 VanDerWaalsContact C-N 3.27Å; I261-G263 PolarHBondContact O-N 3.36Å; I261-M264 PolarHBondContact N-O 2.89Å; I261-M264 WeakPolarHBondContact O-CB 3.45Å; I261-M264 PolarHBondContact O-N 2.94Å; I261-L266 HydrophobicContact CD1-CD2 3.89Å; I261-R369 HydrophobicContact CD1-CG 4.34Å; I261-R369 HydrophobicContact CG2-CB 3.85Å; I261-R369 HydrophobicContact CG2-CG 4.21Å; I261-L372 HydrophobicContact CD1-CB 4.2Å; I261-L372 HydrophobicContact CD1-CD1 3.63Å; I261-K373 HydrophobicContact CG2-CD 3.9Å; I261-K373 HydrophobicContact CG2-CG 3.83Å
262	D	82.2	Confident	73.4	Confident	52 Å²	52	41.8 Å²	41.8	28%	0.278	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	47.9	178.7	-48.6	-24	0	0	0	111.5	Q139 M264 R369 K373 F378 T380	Q139-D262 PolarHBondContact OE1-O 2.93Å; Q139-D262 VanDerWaalsContact OE1-O 3.1Å; D262-M264 VanDerWaalsContact C-N 3.33Å; D262-M264 PolarHBondContact O-N 2.8Å; D262-R369 IonicContact OD1-CZ 3.06Å; D262-R369 VanDerWaalsContact OD1-CZ 3.31Å; D262-R369 IonicContact OD1-NH1 3.96Å; D262-R369 PolarHBondContact OD1-NH1 2.92Å; D262-R369 IonicContact OD1-NH2 2.74Å; D262-R369 PolarHBondContact OD1-NH2 3.47Å; D262-R369 IonicContact OD2-NH1 3.27Å; D262-K373 HydrophobicContact CB-CD 4.38Å; D262-K373 WeakPolarHBondContact OD2-CD 3.35Å; D262-K373 WeakPolarHBondContact OD2-CE 3.19Å; D262-K373 IonicContact OD2-NZ 3.55Å; D262-K373 PolarHBondContact OD2-NZ 3.06Å; D262-F378 WeakPolarHBondContact O-CE1 3.48Å; D262-T380 HydrophobicContact CB-CG2 3.82Å
263	G	84	Confident	73.8	Confident	14 Å²	14	35.3 Å²	35.3	14%	0.144	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.4	-26	-179.1	0	0	0	0	0	115.6	S137 I261 P265	S137-G263 VanDerWaalsContact CB-O 3.31Å; S137-G263 WeakPolarHBondContact CB-O 3.39Å; S137-G263 PolarHBondContact OG-O 2.84Å; I261-G263 VanDerWaalsContact C-N 3.27Å; I261-G263 PolarHBondContact O-N 3.36Å; G263-P265 WeakPolarHBondContact O-CD 3.3Å
264	M	88.1	Confident	74.1	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	123.3	177.5	-173.7	-176.8	73	0	0	110.9	M217 H260 I261 D262 K373 M376 F378	M217-M264 HydrophobicContact CB-CE 4.38Å; H260-M264 WeakPolarHBondContact CA-O 3.4Å; I261-M264 PolarHBondContact N-O 2.89Å; I261-M264 WeakPolarHBondContact O-CB 3.45Å; I261-M264 PolarHBondContact O-N 2.94Å; D262-M264 VanDerWaalsContact C-N 3.33Å; D262-M264 PolarHBondContact O-N 2.8Å; M264-K373 HydrophobicContact CE-CG 4.39Å; M264-M376 HydrophobicContact SD-CB 4.26Å; M264-M376 HydrophobicContact SD-CG 4.37Å; M264-F378 HydrophobicContact CB-CD1 3.95Å; M264-F378 HydrophobicContact CB-CD2 4.38Å; M264-F378 HydrophobicContact CB-CE1 3.83Å; M264-F378 HydrophobicContact CB-CE2 4.3Å; M264-F378 HydrophobicContact CB-CG 4.21Å; M264-F378 HydrophobicContact CB-CZ 4.02Å; M264-F378 HydrophobicContact CG-CD2 4.5Å; M264-F378 HydrophobicContact CG-CG 4.39Å; M264-F378 HydrophobicContact SD-CB 3.74Å; M264-F378 HydrophobicContact SD-CD1 4.23Å; M264-F378 HydrophobicContact SD-CD2 4.36Å; M264-F378 HydrophobicContact SD-CG 3.86Å
265	P	88.4	Confident	74.3	Confident	4 Å²	4	41.3 Å²	41.3	3%	0.026	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	139.7	175.2	-18.8	31.1	0	0	0	112	L213 G216 M217 G263	L213-P265 VanDerWaalsContact O-CD 3.25Å; L213-P265 WeakPolarHBondContact O-CD 3.22Å; L213-P265 VanDerWaalsContact O-CG 3.29Å; L213-P265 WeakPolarHBondContact O-CG 3Å; G216-P265 CarbonylContact C-O 3.5Å; G216-P265 WeakPolarHBondContact CA-O 3.46Å; M217-P265 PolarHBondContact N-O 3.36Å; G263-P265 WeakPolarHBondContact O-CD 3.3Å
266	L	89	Confident	74.2	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	115.2	170.7	-157.4	71.2	0	0	0	108.3	M217 V219 I259 I261 I268 L372	M217-L266 HydrophobicContact CB-CD1 3.76Å; M217-L266 HydrophobicContact CG-CD1 4.03Å; M217-L266 WeakPolarHBondContact O-CA 2.92Å; M217-L266 HydrophobicContact SD-CD1 3.98Å; V219-L266 HydrophobicContact CB-CD1 4.25Å; V219-L266 HydrophobicContact CB-CD2 4.49Å; V219-L266 HydrophobicContact CB-CG 4.27Å; V219-L266 HydrophobicContact CG2-CD1 3.42Å; V219-L266 VanDerWaalsContact CG2-CD1 3.42Å; V219-L266 HydrophobicContact CG2-CD2 4.33Å; V219-L266 HydrophobicContact CG2-CG 3.97Å; I259-L266 HydrophobicContact CD1-CB 4.5Å; I259-L266 HydrophobicContact CD1-CD2 4.08Å; I259-L266 HydrophobicContact CG1-CB 3.74Å; I259-L266 HydrophobicContact CG1-CD2 4.19Å; I259-L266 PolarHBondContact N-O 3.4Å; I259-L266 VanDerWaalsContact N-O 3.16Å; I259-L266 PolarHBondContact O-N 3.04Å; I261-L266 HydrophobicContact CD1-CD2 3.89Å; L266-I268 HydrophobicContact CB-CG1 4.39Å; L266-I268 HydrophobicContact CD2-CD1 3.89Å; L266-I268 HydrophobicContact CD2-CG1 3.82Å; L266-I268 HydrophobicContact CG-CG1 3.95Å; L266-I268 PolarHBondContact O-N 2.9Å; L266-L372 HydrophobicContact CD2-CD1 3.99Å
267	H	87.7	Confident	73.5	Confident	43 Å²	43	40.7 Å²	40.7	20%	0.199	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	94.6	176	-58.1	-59.9	0	0	0	108.3	E215 M217 K218 V219 H258	E215-H267 PolarHBondContact O-CD2 2.95Å; E215-H267 PolarHBondContact O-NE2 3.48Å; M217-H267 PolarHBondContact O-N 3.42Å; K218-H267 HydrophobicContact CG-CB 4.12Å; V219-H267 PolarHBondContact N-O 3.04Å; H258-H267 AromaticContact CE1-CE1 3.65Å; H258-H267 AromaticContact CE1-ND1 3.13Å; H258-H267 PolarHBondContact CE1-ND1 3.31Å; H258-H267 AromaticContact ND1-CE1 3.4Å; H258-H267 PolarHBondContact ND1-CE1 3.46Å; H258-H267 AromaticContact ND1-ND1 2.97Å; H258-H267 PolarHBondContact ND1-ND1 2.88Å
268	I	85.7	Confident	72.5	Confident	1 Å²	1	44 Å²	44	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	125.8	-176.1	-51.5	178.7	0	0	0	110.8	V219 I221 L233 L236 R256 E257 I259 L266	V219-I268 CarbonylContact O-C 3.6Å; V219-I268 VanDerWaalsContact O-CA 3.31Å; V219-I268 WeakPolarHBondContact O-CA 3.46Å; I221-I268 HydrophobicContact CB-CG2 4.45Å; I221-I268 HydrophobicContact CD1-CD1 4.43Å; I221-I268 HydrophobicContact CD1-CG2 3.58Å; I221-I268 HydrophobicContact CG1-CG2 3.65Å; L233-I268 HydrophobicContact CD2-CB 3.99Å; L233-I268 HydrophobicContact CD2-CD1 3.44Å; L233-I268 VanDerWaalsContact CD2-CD1 3.44Å; L233-I268 HydrophobicContact CD2-CG1 4.32Å; L233-I268 HydrophobicContact CD2-CG2 3.48Å; L233-I268 VanDerWaalsContact CD2-CG2 3.48Å; L236-I268 HydrophobicContact CD1-CD1 4.4Å; R256-I268 WeakPolarHBondContact CA-O 3.49Å; E257-I268 PolarHBondContact N-O 3.2Å; E257-I268 PolarHBondContact O-N 3.18Å; I259-I268 HydrophobicContact CD1-CD1 3.54Å; I259-I268 HydrophobicContact CG1-CD1 3.74Å; I259-I268 HydrophobicContact CG1-CG1 4.33Å; L266-I268 HydrophobicContact CB-CG1 4.39Å; L266-I268 HydrophobicContact CD2-CD1 3.89Å; L266-I268 HydrophobicContact CD2-CG1 3.82Å; L266-I268 HydrophobicContact CG-CG1 3.95Å; L266-I268 PolarHBondContact O-N 2.9Å
269	I	80	Confident	71.3	Confident	6 Å²	6	44.8 Å²	44.8	3%	0.031	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	104.6	179.3	-54.1	179	0	0	0	106.7	V219 V220 I221 V254 E292	V219-I269 PolarHBondContact O-N 2.94Å; V220-I269 HydrophobicContact CG2-CB 4.06Å; V220-I269 HydrophobicContact CG2-CD1 4.26Å; V220-I269 HydrophobicContact CG2-CG2 4.35Å; I221-I269 PolarHBondContact N-O 3.32Å; V254-I269 HydrophobicContact CG1-CB 4.44Å; V254-I269 HydrophobicContact CG1-CG2 3.36Å; I269-E292 HydrophobicContact CD1-CB 4.22Å; I269-E292 HydrophobicContact CG2-CB 4.17Å
270	D	74.6	Confident	69.8	Low	21 Å²	21	49.7 Å²	49.7	11%	0.112	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	121.4	176.9	-172.9	7.6	0	0	0	110.7	L255 A272	L255-D270 PolarHBondContact O-N 3.32Å; D270-A272 VanDerWaalsContact C-N 3.31Å; D270-A272 WeakPolarHBondContact OD1-CB 3.37Å; D270-A272 PolarHBondContact OD1-N 2.91Å; D270-A272 WeakPolarHBondContact OD2-CB 3.4Å
271	T	67.1	Low	68.2	Low	13 Å²	13	53.2 Å²	53.2	8%	0.08	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-89.6	9.8	177.8	74.5	0	0	0	0	114	V220 I221 A222 G273 L274 I293	V220-T271 HydrophobicContact CG1-CG2 3.35Å; I221-T271 PolarHBondContact O-N 2.82Å; I221-T271 PolarHBondContact O-OG1 2.9Å; I221-T271 VanDerWaalsContact O-OG1 3.1Å; A222-T271 VanDerWaalsContact CA-OG1 3.3Å; A222-T271 WeakPolarHBondContact CA-OG1 3.26Å; A222-T271 HydrophobicContact CB-CG2 4.31Å; T271-G273 PolarHBondContact O-N 3.32Å; T271-L274 HydrophobicContact CG2-CD1 3.99Å; T271-L274 WeakPolarHBondContact O-CB 3.42Å; T271-L274 PolarHBondContact O-N 2.66Å; T271-I293 HydrophobicContact CG2-CD1 3.91Å; T271-I293 HydrophobicContact CG2-CG1 4.32Å
272	A	57.7	Low	66.8	Low	48 Å²	48	56.1 Å²	56.1	40%	0.397	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-51.1	-18.4	175.7	0	0	0	0	0	114.2	D270	D270-A272 VanDerWaalsContact C-N 3.31Å; D270-A272 WeakPolarHBondContact OD1-CB 3.37Å; D270-A272 PolarHBondContact OD1-N 2.91Å; D270-A272 WeakPolarHBondContact OD2-CB 3.4Å
273	G	50.1	Low	65.8	Low	62 Å²	62	59.6 Å²	59.6	64%	0.639	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-82.7	-6.4	173	0	0	0	0	0	117.4	T271 R275	T271-G273 PolarHBondContact O-N 3.32Å; G273-R275 PolarHBondContact O-N 3.21Å
274	L	51.7	Low	64.6	Low	41 Å²	41	62 Å²	62	22%	0.215	33%	0.334	C	S	.	.			trans	-74.3	43.2	-179.7	-68.8	-179.5	0	0	0	114	T271 I286 A289 I293 F320	T271-L274 HydrophobicContact CG2-CD1 3.99Å; T271-L274 WeakPolarHBondContact O-CB 3.42Å; T271-L274 PolarHBondContact O-N 2.66Å; L274-I286 HydrophobicContact CD2-CG2 4.16Å; L274-A289 HydrophobicContact CD2-CB 3.41Å; L274-A289 VanDerWaalsContact CD2-CB 3.41Å; L274-A289 HydrophobicContact CG-CB 4.3Å; L274-I293 HydrophobicContact CD1-CD1 3.87Å; L274-F320 HydrophobicContact CD1-CE2 4.2Å
275	R	52.9	Low	63.3	Low	199 Å²	199	63.7 Å²	63.7	75%	0.751	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-73.6	165.2	176.6	-63.9	-175.1	-174.3	-168.9	1.4	111.2	G273 A277 I286	G273-R275 PolarHBondContact O-N 3.21Å; R275-A277 PolarHBondContact O-N 3.06Å; R275-I286 WeakPolarHBondContact O-CD1 3.48Å
276	E	49.8	Very low	62.3	Low	190 Å²	190	64.9 Å²	64.9	89%	0.888	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-63.5	124.3	167.4	-68.4	-179	173	0	0	109.6
277	A	47.1	Very low	61.6	Low	48 Å²	48	69.4 Å²	69.4	40%	0.397	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-69.5	132.5	-177.1	0	0	0	0	0	111.7	R275 E282 R283 I286	R275-A277 PolarHBondContact O-N 3.06Å; A277-E282 HydrophobicContact CB-CB 3.72Å; A277-R283 HydrophobicContact CB-CB 4.15Å; A277-I286 HydrophobicContact CB-CD1 3.64Å
278	S	52.9	Low	60.6	Low	107 Å²	107	73.7 Å²	73.7	75%	0.748	39%	0.392	S	S	*	.	S	Bend	trans	-94.7	-25.7	167.5	62.2	0	0	0	0	112.5	E282	S278-E282 PolarHBondContact N-OE2 3.45Å; S278-E282 PolarHBondContact OG-OE2 2.74Å
279	D	53.2	Low	59.9	Low	72 Å²	72	74 Å²	74	39%	0.385	40%	0.395	S	S	.	.	S	Bend	trans	-132.4	169.2	-179.3	70.9	22	0	0	0	113.8	V281 E282 R283	D279-V281 VanDerWaalsContact C-N 3.26Å; D279-V281 PolarHBondContact O-N 2.89Å; D279-V281 PolarHBondContact OD1-N 3.37Å; D279-E282 PolarHBondContact O-N 3.29Å; D279-E282 VanDerWaalsContact OD1-CB 3.31Å; D279-E282 WeakPolarHBondContact OD1-CB 3.39Å; D279-E282 VanDerWaalsContact OD1-CG 3.3Å; D279-E282 WeakPolarHBondContact OD1-CG 3.41Å; D279-E282 PolarHBondContact OD1-N 2.92Å; D279-R283 PolarHBondContact O-N 3.03Å; D279-R283 VanDerWaalsContact O-N 3.1Å
280	E	54.2	Low	59.9	Low	103 Å²	103	74.6 Å²	74.6	48%	0.481	40%	0.397	S	S	.	.	H	α-helix	trans	-61.4	-33.9	-179	-176.7	60.8	-159.2	0	0	112.5	R283 I284	E280-R283 PolarHBondContact O-N 3.43Å; E280-R283 IonicContact OE1-CZ 3.69Å; E280-R283 IonicContact OE1-NE 2.67Å; E280-R283 IonicContact OE1-NH2 2.69Å; E280-R283 PolarHBondContact OE1-NH2 3.38Å; E280-R283 IonicContact OE2-CZ 3.68Å; E280-R283 VanDerWaalsContact OE2-CZ 3.25Å; E280-R283 IonicContact OE2-NE 3.44Å; E280-R283 PolarHBondContact OE2-NE 3.07Å; E280-R283 IonicContact OE2-NH2 2.95Å; E280-R283 PolarHBondContact OE2-NH2 2.87Å; E280-I284 HydrophobicContact CG-CD1 4.44Å; E280-I284 WeakPolarHBondContact O-CG1 3.41Å; E280-I284 PolarHBondContact O-N 3.29Å; E280-I284 VanDerWaalsContact O-N 3.11Å
281	V	50.8	Low	60.2	Low	94 Å²	94	78.5 Å²	78.5	57%	0.57	42%	0.415	S	S	*	.	H	α-helix	trans	-70.4	-40.9	-179.7	179.2	0	0	0	0	110.4	D279 I284 G285	D279-V281 VanDerWaalsContact C-N 3.26Å; D279-V281 PolarHBondContact O-N 2.89Å; D279-V281 PolarHBondContact OD1-N 3.37Å; V281-I284 PolarHBondContact O-N 3.18Å; V281-G285 PolarHBondContact O-N 3.16Å
282	E	56.1	Low	60.7	Low	61 Å²	61	79.5 Å²	79.5	29%	0.285	42%	0.419	S	S	.	.	H	α-helix	trans	-64.5	-39.2	174	-77	179.6	162.9	0	0	111.5	A277 S278 D279 I284 G285 I286	A277-E282 HydrophobicContact CB-CB 3.72Å; S278-E282 PolarHBondContact N-OE2 3.45Å; S278-E282 PolarHBondContact OG-OE2 2.74Å; D279-E282 PolarHBondContact O-N 3.29Å; D279-E282 VanDerWaalsContact OD1-CB 3.31Å; D279-E282 WeakPolarHBondContact OD1-CB 3.39Å; D279-E282 VanDerWaalsContact OD1-CG 3.3Å; D279-E282 WeakPolarHBondContact OD1-CG 3.41Å; D279-E282 PolarHBondContact OD1-N 2.92Å; E282-I284 PolarHBondContact O-N 2.84Å; E282-G285 PolarHBondContact O-N 2.91Å; E282-G285 VanDerWaalsContact O-N 3.16Å; E282-I286 VanDerWaalsContact O-CG1 3.28Å; E282-I286 WeakPolarHBondContact O-CG1 3.38Å; E282-I286 PolarHBondContact O-N 3.1Å
283	R	61.9	Low	61.9	Low	125 Å²	125	77.2 Å²	77.2	47%	0.472	40%	0.4	S	S	.	.	H	α-helix	trans	-60.5	-45.7	174.9	-172.9	176.5	66.5	159.5	4.2	111.9	A277 D279 E280 G285 I286 E287	A277-R283 HydrophobicContact CB-CB 4.15Å; D279-R283 PolarHBondContact O-N 3.03Å; D279-R283 VanDerWaalsContact O-N 3.1Å; E280-R283 PolarHBondContact O-N 3.43Å; E280-R283 IonicContact OE1-CZ 3.69Å; E280-R283 IonicContact OE1-NE 2.67Å; E280-R283 IonicContact OE1-NH2 2.69Å; E280-R283 PolarHBondContact OE1-NH2 3.38Å; E280-R283 IonicContact OE2-CZ 3.68Å; E280-R283 VanDerWaalsContact OE2-CZ 3.25Å; E280-R283 IonicContact OE2-NE 3.44Å; E280-R283 PolarHBondContact OE2-NE 3.07Å; E280-R283 IonicContact OE2-NH2 2.95Å; E280-R283 PolarHBondContact OE2-NH2 2.87Å; R283-G285 VanDerWaalsContact C-N 3.3Å; R283-G285 PolarHBondContact O-N 3.36Å; R283-I286 PolarHBondContact O-N 3.48Å; R283-E287 PolarHBondContact O-N 3.17Å
284	I	57	Low	63.6	Low	65 Å²	65	80.2 Å²	80.2	33%	0.333	40%	0.397	S	S	.	.	H	α-helix	trans	-61.2	-41	174.7	-66.4	166.7	0	0	0	110.5	E280 V281 E282 E287 R288	E280-I284 HydrophobicContact CG-CD1 4.44Å; E280-I284 WeakPolarHBondContact O-CG1 3.41Å; E280-I284 PolarHBondContact O-N 3.29Å; E280-I284 VanDerWaalsContact O-N 3.11Å; V281-I284 PolarHBondContact O-N 3.18Å; E282-I284 PolarHBondContact O-N 2.84Å; I284-E287 PolarHBondContact O-N 2.97Å; I284-R288 HydrophobicContact CG2-CG 4.42Å; I284-R288 WeakPolarHBondContact O-CB 3.28Å; I284-R288 VanDerWaalsContact O-CG 3.29Å; I284-R288 WeakPolarHBondContact O-CG 3.48Å; I284-R288 PolarHBondContact O-N 3.18Å
285	G	61.8	Low	65.2	Low	34 Å²	34	83.3 Å²	83.3	35%	0.351	41%	0.41	S	S	.	.	H	α-helix	trans	-61.1	-42.7	176.2	0	0	0	0	0	113.1	V281 E282 R283 A289	V281-G285 PolarHBondContact O-N 3.16Å; E282-G285 PolarHBondContact O-N 2.91Å; E282-G285 VanDerWaalsContact O-N 3.16Å; R283-G285 VanDerWaalsContact C-N 3.3Å; R283-G285 PolarHBondContact O-N 3.36Å; G285-A289 WeakPolarHBondContact O-CB 3.31Å; G285-A289 PolarHBondContact O-N 3.34Å
286	I	66.8	Low	66.9	Low	29 Å²	29	74.3 Å²	74.3	15%	0.149	38%	0.378	C	S	.	.	H	α-helix	trans	-65.6	-47.9	176	-65.4	160.1	0	0	0	110.6	L274 R275 A277 E282 R283 R288 A289 W290	L274-I286 HydrophobicContact CD2-CG2 4.16Å; R275-I286 WeakPolarHBondContact O-CD1 3.48Å; A277-I286 HydrophobicContact CB-CD1 3.64Å; E282-I286 VanDerWaalsContact O-CG1 3.28Å; E282-I286 WeakPolarHBondContact O-CG1 3.38Å; E282-I286 PolarHBondContact O-N 3.1Å; R283-I286 PolarHBondContact O-N 3.48Å; I286-R288 VanDerWaalsContact C-N 3.32Å; I286-R288 PolarHBondContact O-N 2.93Å; I286-A289 PolarHBondContact O-N 2.7Å; I286-W290 PolarHBondContact O-N 3.37Å
287	E	73.7	Confident	69	Low	95 Å²	95	68.5 Å²	68.5	44%	0.444	35%	0.353	S	S	.	.	H	α-helix	trans	-59.3	-43.4	178.3	-76.7	179.2	-173.3	0	0	111.7	R283 I284 W290 Q291	R283-E287 PolarHBondContact O-N 3.17Å; I284-E287 PolarHBondContact O-N 2.97Å; E287-W290 PolarHBondContact O-N 3.22Å; E287-Q291 WeakPolarHBondContact O-CG 3.36Å; E287-Q291 PolarHBondContact O-N 2.89Å
288	R	68.5	Low	71.3	Confident	133 Å²	133	67.8 Å²	67.8	50%	0.502	34%	0.34	S	S	.	.	H	α-helix	trans	-60.9	-45.8	173.4	-75	177.3	-179	-172.1	0.7	112.1	D253 I284 I286 W290 Q291 E292	D253-R288 IonicContact OD1-NH1 3.38Å; I284-R288 HydrophobicContact CG2-CG 4.42Å; I284-R288 WeakPolarHBondContact O-CB 3.28Å; I284-R288 VanDerWaalsContact O-CG 3.29Å; I284-R288 WeakPolarHBondContact O-CG 3.48Å; I284-R288 PolarHBondContact O-N 3.18Å; I286-R288 VanDerWaalsContact C-N 3.32Å; I286-R288 PolarHBondContact O-N 2.93Å; R288-W290 PolarHBondContact O-N 3.09Å; R288-Q291 WeakPolarHBondContact O-CB 3.21Å; R288-Q291 PolarHBondContact O-N 3.1Å; R288-Q291 VanDerWaalsContact O-N 3.13Å; R288-E292 WeakPolarHBondContact O-CG 3.49Å; R288-E292 PolarHBondContact O-N 3.36Å
289	A	70.8	Confident	73.2	Confident	9 Å²	9	62.7 Å²	62.7	7%	0.074	31%	0.305	C	S	.	.	H	α-helix	trans	-61.3	-34.6	176.8	0	0	0	0	0	112	V254 L274 G285 I286 E292 I293	V254-A289 HydrophobicContact CG2-CB 4.12Å; L274-A289 HydrophobicContact CD2-CB 3.41Å; L274-A289 VanDerWaalsContact CD2-CB 3.41Å; L274-A289 HydrophobicContact CG-CB 4.3Å; G285-A289 WeakPolarHBondContact O-CB 3.31Å; G285-A289 PolarHBondContact O-N 3.34Å; I286-A289 PolarHBondContact O-N 2.7Å; A289-E292 PolarHBondContact O-N 3.35Å; A289-I293 WeakPolarHBondContact O-CD1 3.5Å; A289-I293 WeakPolarHBondContact O-CG1 3.37Å; A289-I293 PolarHBondContact O-N 3.25Å
290	W	79.2	Confident	75.2	Confident	17 Å²	17	59.2 Å²	59.2	6%	0.064	29%	0.286	C	S	.	.	H	α-helix	trans	-68.9	-40.5	171.9	-82	100.5	0	0	0	113.2	I286 E287 R288 E292 I293 E294 F320 R323 L324	I286-W290 PolarHBondContact O-N 3.37Å; E287-W290 PolarHBondContact O-N 3.22Å; R288-W290 PolarHBondContact O-N 3.09Å; W290-E292 PolarHBondContact O-N 2.84Å; W290-I293 HydrophobicContact CD2-CD1 4.32Å; W290-I293 HydrophobicContact CE3-CB 4.48Å; W290-I293 HydrophobicContact CE3-CD1 4.19Å; W290-I293 HydrophobicContact CE3-CG2 4.4Å; W290-I293 HydrophobicContact CZ3-CD1 4.45Å; W290-I293 HydrophobicContact CZ3-CG2 4.41Å; W290-I293 WeakPolarHBondContact O-CB 3.42Å; W290-I293 PolarHBondContact O-N 3.48Å; W290-I293 VanDerWaalsContact O-N 3.13Å; W290-E294 WeakPolarHBondContact O-CG 3.29Å; W290-E294 PolarHBondContact O-N 3.17Å; W290-F320 AromaticContact CH2-CD2 3.56Å; W290-F320 HydrophobicContact CH2-CD2 3.56Å; W290-F320 AromaticContact CH2-CE2 3.58Å; W290-F320 HydrophobicContact CH2-CE2 3.58Å; W290-F320 AromaticContact CZ2-CD2 3.76Å; W290-F320 HydrophobicContact CZ2-CD2 3.76Å; W290-F320 AromaticContact CZ2-CE2 3.9Å; W290-F320 HydrophobicContact CZ2-CE2 3.9Å; W290-F320 HydrophobicContact CZ3-CE2 4.4Å; W290-R323 HydrophobicContact CD2-CG 4.22Å; W290-R323 VanDerWaalsContact CE2-CZ 3.48Å; W290-R323 HydrophobicContact CE3-CG 3.89Å; W290-R323 HydrophobicContact CH2-CB 3.58Å; W290-R323 HydrophobicContact CH2-CG 3.62Å; W290-R323 HydrophobicContact CZ2-CB 4.19Å; W290-R323 VanDerWaalsContact CZ2-CD 3.48Å; W290-R323 HydrophobicContact CZ2-CG 3.97Å; W290-R323 HydrophobicContact CZ3-CB 3.83Å; W290-R323 HydrophobicContact CZ3-CG 3.56Å; W290-R323 VanDerWaalsContact NE1-NH1 3.13Å; W290-L324 HydrophobicContact CH2-CD2 4.37Å; W290-L324 HydrophobicContact CZ3-CD2 3.87Å; W290-L324 HydrophobicContact CZ3-CG 4.47Å
291	Q	81.6	Confident	77.1	Confident	104 Å²	104	54.4 Å²	54.4	49%	0.486	26%	0.264	S	S	.	.	H	α-helix	trans	-60.7	-35.5	172.9	-70.5	170.9	-4.8	0	0	112.1	E287 R288 E294 Q295	E287-Q291 WeakPolarHBondContact O-CG 3.36Å; E287-Q291 PolarHBondContact O-N 2.89Å; R288-Q291 WeakPolarHBondContact O-CB 3.21Å; R288-Q291 PolarHBondContact O-N 3.1Å; R288-Q291 VanDerWaalsContact O-N 3.13Å; Q291-E294 PolarHBondContact O-N 3.13Å; Q291-Q295 WeakPolarHBondContact O-CG 3.4Å; Q291-Q295 PolarHBondContact O-N 3.26Å
292	E	76.8	Confident	79.1	Confident	34 Å²	34	50 Å²	50	16%	0.159	24%	0.237	C	C	.	.	H	α-helix	trans	-68.8	-39.8	174	-70.5	-67.9	135.7	0	0	111.8	R256 I269 R288 A289 W290 E294 Q295 A296	R256-E292 IonicContact CZ-OE2 3.93Å; R256-E292 IonicContact NE-OE2 3.09Å; R256-E292 IonicContact NH2-OE1 3.82Å; R256-E292 PolarHBondContact NH2-OE1 3.08Å; R256-E292 IonicContact NH2-OE2 3.86Å; R256-E292 PolarHBondContact NH2-OE2 2.92Å; I269-E292 HydrophobicContact CD1-CB 4.22Å; I269-E292 HydrophobicContact CG2-CB 4.17Å; R288-E292 WeakPolarHBondContact O-CG 3.49Å; R288-E292 PolarHBondContact O-N 3.36Å; A289-E292 PolarHBondContact O-N 3.35Å; W290-E292 PolarHBondContact O-N 2.84Å; E292-E294 VanDerWaalsContact C-N 3.3Å; E292-E294 PolarHBondContact O-N 2.96Å; E292-Q295 PolarHBondContact O-N 2.9Å; E292-Q295 VanDerWaalsContact O-N 3.15Å; E292-A296 PolarHBondContact O-N 2.93Å
293	I	83.4	Confident	81	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.9	-38.6	174.6	-68.7	166	0	0	0	111.5	V220 T271 L274 A289 W290 Q295 A296 F320 L324 L328	V220-I293 HydrophobicContact CB-CG1 4.43Å; V220-I293 HydrophobicContact CG1-CD1 4.29Å; V220-I293 HydrophobicContact CG1-CG1 3.8Å; V220-I293 HydrophobicContact CG2-CB 4.3Å; V220-I293 HydrophobicContact CG2-CG1 3.78Å; T271-I293 HydrophobicContact CG2-CD1 3.91Å; T271-I293 HydrophobicContact CG2-CG1 4.32Å; L274-I293 HydrophobicContact CD1-CD1 3.87Å; A289-I293 WeakPolarHBondContact O-CD1 3.5Å; A289-I293 WeakPolarHBondContact O-CG1 3.37Å; A289-I293 PolarHBondContact O-N 3.25Å; W290-I293 HydrophobicContact CD2-CD1 4.32Å; W290-I293 HydrophobicContact CE3-CB 4.48Å; W290-I293 HydrophobicContact CE3-CD1 4.19Å; W290-I293 HydrophobicContact CE3-CG2 4.4Å; W290-I293 HydrophobicContact CZ3-CD1 4.45Å; W290-I293 HydrophobicContact CZ3-CG2 4.41Å; W290-I293 WeakPolarHBondContact O-CB 3.42Å; W290-I293 PolarHBondContact O-N 3.48Å; W290-I293 VanDerWaalsContact O-N 3.13Å; I293-Q295 PolarHBondContact O-N 2.96Å; I293-A296 WeakPolarHBondContact O-CB 3.29Å; I293-A296 PolarHBondContact O-N 2.82Å; I293-A296 VanDerWaalsContact O-N 3.13Å; I293-F320 HydrophobicContact CD1-CE2 4.49Å; I293-L324 HydrophobicContact CG2-CD2 3.41Å; I293-L324 VanDerWaalsContact CG2-CD2 3.41Å; I293-L328 HydrophobicContact CG2-CD2 4.05Å; I293-L328 WeakPolarHBondContact O-CD2 3.42Å
294	E	84.6	Confident	82.5	Confident	124 Å²	124	42.3 Å²	42.3	58%	0.579	21%	0.207	S	C	*	.	H	α-helix	trans	-62.9	-24.4	176.4	-72.9	172	-171.8	0	0	113.1	W290 Q291 E292 P325	W290-E294 WeakPolarHBondContact O-CG 3.29Å; W290-E294 PolarHBondContact O-N 3.17Å; Q291-E294 PolarHBondContact O-N 3.13Å; E292-E294 VanDerWaalsContact C-N 3.3Å; E292-E294 PolarHBondContact O-N 2.96Å; E294-P325 HydrophobicContact CB-CG 4.46Å; E294-P325 HydrophobicContact CG-CG 4.03Å
295	Q	85.6	Confident	84.3	Confident	107 Å²	107	39.4 Å²	39.4	50%	0.5	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	0.9	177.6	-65	178.5	36	0	0	113.7	K218 Q291 E292 I293	K218-Q295 WeakPolarHBondContact CD-O 3.28Å; Q291-Q295 WeakPolarHBondContact O-CG 3.4Å; Q291-Q295 PolarHBondContact O-N 3.26Å; E292-Q295 PolarHBondContact O-N 2.9Å; E292-Q295 VanDerWaalsContact O-N 3.15Å; I293-Q295 PolarHBondContact O-N 2.96Å
296	A	90.1	Very high	85.8	Confident	9 Å²	9	41.1 Å²	41.1	7%	0.074	20%	0.197	C	C	.	.			trans	-72.9	150.4	179.3	0	0	0	0	0	111.2	V220 E292 I293 L328	V220-A296 HydrophobicContact CB-CB 4.35Å; V220-A296 HydrophobicContact CG2-CB 3.43Å; V220-A296 VanDerWaalsContact CG2-CB 3.43Å; E292-A296 PolarHBondContact O-N 2.93Å; I293-A296 WeakPolarHBondContact O-CB 3.29Å; I293-A296 PolarHBondContact O-N 2.82Å; I293-A296 VanDerWaalsContact O-N 3.13Å; A296-L328 HydrophobicContact CB-CD1 4.32Å; A296-L328 WeakPolarHBondContact O-CD1 3.24Å
297	D	93.4	Very high	86.9	Confident	68 Å²	68	44.6 Å²	44.6	36%	0.364	22%	0.22	S	C	.	.	S	Bend	trans	-84	-21.8	171.7	-58	-58.6	0	0	0	111.1	M217 K218 P329 M376	M217-D297 HydrophobicContact CE-CB 4.43Å; M217-D297 HydrophobicContact CG-CB 4.01Å; K218-D297 PolarHBondContact N-OD2 2.85Å; K218-D297 PolarHBondContact O-N 2.81Å; D297-P329 WeakPolarHBondContact O-CD 3.48Å; D297-M376 HydrophobicContact CB-SD 4.28Å
298	R	94.6	Very high	87.8	Confident	33 Å²	33	42.1 Å²	42.1	13%	0.125	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	149.9	179.6	-168.2	158.9	-70	-112.1	-0.8	113.4	M217 K218 V219 V220 P329 T331 H371 S375	M217-R298 HydrophobicContact CE-CB 3.34Å; M217-R298 HydrophobicContact CE-CG 4.11Å; K218-R298 PolarHBondContact O-N 2.84Å; V219-R298 WeakPolarHBondContact CA-O 3.32Å; V220-R298 PolarHBondContact N-O 2.81Å; R298-P329 WeakPolarHBondContact CA-O 3.47Å; R298-P329 HydrophobicContact CG-CB 4.43Å; R298-P329 WeakPolarHBondContact CG-O 3.39Å; R298-T331 PolarHBondContact NH1-OG1 3.35Å; R298-T331 VanDerWaalsContact NH1-OG1 3.17Å; R298-H371 PolarHBondContact NH1-CE1 3.14Å; R298-H371 PolarHBondContact NH1-NE2 3.44Å; R298-S375 PolarHBondContact NH1-OG 3.33Å; R298-S375 PolarHBondContact NH2-OG 2.92Å
299	V	93.7	Very high	88.7	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	123.3	167.7	-178.1	0	0	0	0	110.1	V220 A222 F301 F320 L324 L328 P329 I330 T331	V220-V299 HydrophobicContact CB-CG2 4.24Å; V220-V299 HydrophobicContact CG1-CG1 4.36Å; V220-V299 HydrophobicContact CG1-CG2 4.44Å; V220-V299 CarbonylContact O-C 3.3Å; V220-V299 WeakPolarHBondContact O-CA 3.46Å; A222-V299 HydrophobicContact CB-CG1 4.05Å; V299-F301 HydrophobicContact CG1-CB 4.48Å; V299-F320 HydrophobicContact CG1-CE1 4.38Å; V299-L324 HydrophobicContact CG2-CD1 4.31Å; V299-L324 HydrophobicContact CG2-CD2 4.11Å; V299-L328 HydrophobicContact CG2-CD2 3.49Å; V299-L328 VanDerWaalsContact CG2-CD2 3.49Å; V299-L328 HydrophobicContact CG2-CG 3.96Å; V299-P329 PolarHBondContact N-O 3.49Å; V299-I330 HydrophobicContact CB-CG1 4.38Å; V299-T331 PolarHBondContact O-N 3.19Å
300	L	94.9	Very high	89.7	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	103	162	-61.7	-174.1	0	0	0	108.7	V219 V220 I221 A222 L232 M302 T331 V333 L368 L372	V219-L300 HydrophobicContact CG1-CB 4.39Å; V219-L300 HydrophobicContact CG1-CD1 3.68Å; V219-L300 HydrophobicContact CG1-CG 3.54Å; V220-L300 PolarHBondContact O-N 3.43Å; I221-L300 HydrophobicContact CG1-CB 4.25Å; I221-L300 HydrophobicContact CG1-CD1 4.26Å; A222-L300 PolarHBondContact N-O 2.79Å; A222-L300 VanDerWaalsContact O-O 3.13Å; L232-L300 HydrophobicContact CD2-CD1 4.3Å; L300-M302 PolarHBondContact O-N 2.77Å; L300-T331 CarbonylContact C-O 3.52Å; L300-T331 WeakPolarHBondContact CA-O 3.4Å; L300-T331 HydrophobicContact CD2-CG2 4.13Å; L300-V333 HydrophobicContact CB-CG2 4.4Å; L300-V333 HydrophobicContact CD2-CG2 4.32Å; L300-L368 HydrophobicContact CD1-CD1 4.24Å; L300-L368 HydrophobicContact CD1-CD2 4.14Å; L300-L368 HydrophobicContact CD2-CD1 3.78Å; L300-L372 HydrophobicContact CD1-CD1 4.46Å; L300-L372 HydrophobicContact CD2-CD2 4.14Å
301	F	94.4	Very high	90.2	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.009	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	94.1	-179.8	-174.2	-116	0	0	0	110.3	A222 V299 V303 P313 I316 W317 F320 I330 T331 V332 V333	A222-F301 HydrophobicContact CB-CD2 4.46Å; A222-F301 CarbonylContact O-C 3.58Å; A222-F301 WeakPolarHBondContact O-CA 3.48Å; V299-F301 HydrophobicContact CG1-CB 4.48Å; F301-V303 HydrophobicContact CD1-CG2 3.71Å; F301-V303 HydrophobicContact CE1-CG2 3.63Å; F301-P313 HydrophobicContact CD1-CB 3.86Å; F301-P313 HydrophobicContact CE1-CB 4.09Å; F301-I316 HydrophobicContact CE1-CB 3.98Å; F301-I316 HydrophobicContact CE1-CD1 4.25Å; F301-I316 HydrophobicContact CE1-CG2 3.8Å; F301-I316 HydrophobicContact CZ-CB 4.38Å; F301-I316 HydrophobicContact CZ-CG2 3.95Å; F301-W317 HydrophobicContact CE2-CB 4.13Å; F301-W317 AromaticContact CE2-CE3 3.82Å; F301-W317 HydrophobicContact CE2-CE3 3.82Å; F301-W317 HydrophobicContact CZ-CB 3.59Å; F301-W317 HydrophobicContact CZ-CE3 4.2Å; F301-F320 HydrophobicContact CD2-CD1 4.04Å; F301-F320 AromaticContact CD2-CE1 3.93Å; F301-F320 HydrophobicContact CD2-CE1 3.93Å; F301-F320 AromaticContact CE2-CD1 3.82Å; F301-F320 HydrophobicContact CE2-CD1 3.82Å; F301-F320 HydrophobicContact CE2-CE1 4.17Å; F301-I330 HydrophobicContact CB-CG2 3.97Å; F301-T331 PolarHBondContact N-O 2.83Å; F301-V332 HydrophobicContact CD1-CG1 4.37Å; F301-V332 HydrophobicContact CD1-CG2 4.32Å; F301-V332 WeakPolarHBondContact O-CA 3.25Å; F301-V333 PolarHBondContact O-N 3.5Å
302	M	93.3	Very high	90.7	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	122	179.7	-72.1	-66.6	-69.1	0	0	112	I221 A222 G223 A227 K229 L232 L300 V333 N335	I221-M302 HydrophobicContact CG2-CG 3.73Å; A222-M302 WeakPolarHBondContact O-CB 3.27Å; A222-M302 PolarHBondContact O-N 2.94Å; G223-M302 WeakPolarHBondContact CA-O 3.47Å; A227-M302 HydrophobicContact CB-CB 4.06Å; A227-M302 WeakPolarHBondContact O-CE 3.43Å; K229-M302 HydrophobicContact CG-CB 4.15Å; K229-M302 HydrophobicContact CG-CG 4.15Å; L232-M302 HydrophobicContact CB-CE 3.98Å; L232-M302 HydrophobicContact CB-SD 4.26Å; L232-M302 HydrophobicContact CD2-CE 4.2Å; L232-M302 HydrophobicContact CD2-CG 4.25Å; L232-M302 HydrophobicContact CD2-SD 3.37Å; L232-M302 WeakPolarHBondContact CD2-SD 3.48Å; L232-M302 HydrophobicContact CG-SD 4.35Å; L300-M302 PolarHBondContact O-N 2.77Å; M302-V333 HydrophobicContact CE-CG1 4.39Å; M302-V333 HydrophobicContact SD-CB 3.52Å; M302-V333 VanDerWaalsContact SD-CB 3.52Å; M302-V333 HydrophobicContact SD-CG1 3.41Å; M302-V333 WeakPolarHBondContact SD-CG1 3.45Å; M302-V333 HydrophobicContact SD-CG2 4.34Å; M302-N335 HydrophobicContact CE-CB 3.64Å
303	V	94.6	Very high	91.3	Very high	5 Å²	5	39 Å²	39	3%	0.03	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	130.2	179.3	-177.9	0	0	0	0	108.7	F301 G305 T308 I316 V332 V333 R334 N335	F301-V303 HydrophobicContact CD1-CG2 3.71Å; F301-V303 HydrophobicContact CE1-CG2 3.63Å; V303-G305 PolarHBondContact O-N 2.93Å; V303-T308 HydrophobicContact CG1-CG2 3.76Å; V303-I316 HydrophobicContact CG1-CD1 4.07Å; V303-I316 HydrophobicContact CG1-CG2 4.27Å; V303-I316 HydrophobicContact CG2-CD1 3.72Å; V303-I316 HydrophobicContact CG2-CG2 4.2Å; V303-V332 HydrophobicContact CG2-CG1 3.77Å; V303-V333 PolarHBondContact N-O 2.84Å; V303-R334 HydrophobicContact CB-CG 4.29Å; V303-N335 PolarHBondContact O-N 3.31Å
304	D	94.2	Very high	91.5	Very high	18 Å²	18	41.1 Å²	41.1	10%	0.096	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	105	168.4	-174.8	-15.8	0	0	0	109.4	T306 T307 K336	D304-T306 VanDerWaalsContact CG-OG1 3.29Å; D304-T306 PolarHBondContact O-N 3.47Å; D304-T306 VanDerWaalsContact O-N 3.1Å; D304-T306 WeakPolarHBondContact OD1-CB 2.99Å; D304-T306 PolarHBondContact OD1-N 3.26Å; D304-T306 PolarHBondContact OD1-OG1 3.42Å; D304-T306 PolarHBondContact OD2-OG1 3.12Å; D304-T307 HydrophobicContact CB-CG2 4.02Å; D304-T307 PolarHBondContact O-N 3.4Å; D304-T307 PolarHBondContact O-OG1 2.95Å; D304-K336 WeakPolarHBondContact OD1-CD 3.47Å; D304-K336 IonicContact OD1-NZ 2.65Å; D304-K336 WeakPolarHBondContact OD2-CE 3.28Å; D304-K336 IonicContact OD2-NZ 3.88Å; D304-K336 PolarHBondContact OD2-NZ 3.07Å
305	G	93.6	Very high	91.8	Very high	4 Å²	4	41.6 Å²	41.6	4%	0.041	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-19.7	-177.7	0	0	0	0	0	113.9	V303 T307 R334 N335 T340	V303-G305 PolarHBondContact O-N 2.93Å; G305-T307 VanDerWaalsContact C-N 3.29Å; G305-T307 PolarHBondContact O-N 3.44Å; G305-R334 VanDerWaalsContact CA-NH2 3.29Å; G305-R334 PolarHBondContact O-NH2 3.03Å; G305-N335 PolarHBondContact N-O 2.92Å; G305-T340 WeakPolarHBondContact O-CG2 3.41Å
306	T	93.8	Very high	91.8	Very high	70 Å²	70	37.4 Å²	37.4	43%	0.429	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-14.5	177.8	68.6	0	0	0	0	113.3	D304 K336 I339 T340	D304-T306 VanDerWaalsContact CG-OG1 3.29Å; D304-T306 PolarHBondContact O-N 3.47Å; D304-T306 VanDerWaalsContact O-N 3.1Å; D304-T306 WeakPolarHBondContact OD1-CB 2.99Å; D304-T306 PolarHBondContact OD1-N 3.26Å; D304-T306 PolarHBondContact OD1-OG1 3.42Å; D304-T306 PolarHBondContact OD2-OG1 3.12Å; T306-K336 HydrophobicContact CG2-CB 4.06Å; T306-K336 HydrophobicContact CG2-CD 4.24Å; T306-I339 HydrophobicContact CG2-CB 3.95Å; T306-I339 HydrophobicContact CG2-CD1 4.42Å; T306-I339 HydrophobicContact CG2-CG2 3.79Å; T306-T340 HydrophobicContact CG2-CG2 3.74Å
307	T	91.3	Very high	91.8	Very high	103 Å²	103	39.9 Å²	39.9	63%	0.632	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-16.4	-175.8	64.2	0	0	0	0	114.2	D304 G305	D304-T307 HydrophobicContact CB-CG2 4.02Å; D304-T307 PolarHBondContact O-N 3.4Å; D304-T307 PolarHBondContact O-OG1 2.95Å; G305-T307 VanDerWaalsContact C-N 3.29Å; G305-T307 PolarHBondContact O-N 3.44Å
308	T	90.7	Very high	91.4	Very high	42 Å²	42	39.7 Å²	39.7	26%	0.258	22%	0.224	S	C	.	.			trans	-160.3	140.9	-177.1	-176.4	0	0	0	0	111.3	V303 A310 I316 R334	V303-T308 HydrophobicContact CG1-CG2 3.76Å; T308-A310 VanDerWaalsContact C-N 3.34Å; T308-A310 WeakPolarHBondContact OG1-CB 3.32Å; T308-A310 PolarHBondContact OG1-N 3.27Å; T308-A310 VanDerWaalsContact OG1-N 3.08Å; T308-I316 HydrophobicContact CG2-CG1 4.47Å; T308-R334 VanDerWaalsContact O-CZ 3.29Å; T308-R334 PolarHBondContact O-NH1 3.4Å; T308-R334 PolarHBondContact O-NH2 3.17Å
309	D	89.2	Confident	90.9	Very high	149 Å²	149	43.9 Å²	43.9	80%	0.797	25%	0.245	S	C	*	.			trans	-86.1	-9.8	170	-64.3	-37.3	0	0	0	112.3	V311	D309-V311 PolarHBondContact O-N 3.16Å
310	A	91.2	Very high	90.5	Very high	21 Å²	21	44.3 Å²	44.3	17%	0.174	25%	0.247	C	C	.	.			trans	-62.6	134.6	178.7	0	0	0	0	0	110.6	T308 E315 I316 R334	T308-A310 VanDerWaalsContact C-N 3.34Å; T308-A310 WeakPolarHBondContact OG1-CB 3.32Å; T308-A310 PolarHBondContact OG1-N 3.27Å; T308-A310 VanDerWaalsContact OG1-N 3.08Å; A310-E315 HydrophobicContact CB-CB 4.29Å; A310-I316 HydrophobicContact CB-CG1 3.76Å; A310-I316 VanDerWaalsContact O-CD1 3.25Å; A310-I316 WeakPolarHBondContact O-CD1 3.37Å; A310-R334 PolarHBondContact O-NH1 3.42Å
311	V	90.1	Very high	90.2	Very high	39 Å²	39	45.5 Å²	45.5	24%	0.236	25%	0.253	C	S	.	.			trans	-110.7	-22.1	-177.4	-71.6	0	0	0	0	112.6	D309 V349 L354	D309-V311 PolarHBondContact O-N 3.16Å; V311-V349 HydrophobicContact CB-CG2 4.44Å; V311-V349 HydrophobicContact CG2-CG1 3.94Å; V311-V349 HydrophobicContact CG2-CG2 4.18Å; V311-L354 HydrophobicContact CB-CD2 3.81Å; V311-L354 HydrophobicContact CG1-CD2 3.78Å
312	D	91.8	Very high	89.8	Confident	21 Å²	21	49.7 Å²	49.7	11%	0.112	29%	0.288	C	S	.	.			trans	-78	125.7	177.7	-172.7	-41.1	0	0	0	109.9	A314 E315 I316 N350	D312-A314 PolarHBondContact O-N 3.12Å; D312-A314 WeakPolarHBondContact OD1-CB 3.39Å; D312-A314 PolarHBondContact OD1-N 3.27Å; D312-E315 HydrophobicContact CB-CB 4.22Å; D312-E315 HydrophobicContact CB-CG 3.93Å; D312-E315 PolarHBondContact O-N 2.78Å; D312-E315 VanDerWaalsContact O-N 3.12Å; D312-I316 WeakPolarHBondContact O-CD1 3.25Å; D312-I316 VanDerWaalsContact O-CG1 3.22Å; D312-I316 WeakPolarHBondContact O-CG1 3.43Å; D312-I316 PolarHBondContact O-N 3.18Å; D312-I316 VanDerWaalsContact O-N 3.16Å; D312-N350 PolarHBondContact OD2-ND2 3.46Å
313	P	88.5	Confident	89.5	Confident	1 Å²	1	56 Å²	56	1%	0.006	31%	0.312	C	S	.	.	H	α-helix	trans	-59.6	-34.4	-179.7	26.3	-33.3	0	0	0	112.9	F301 E315 I316 W317 I321 V332	F301-P313 HydrophobicContact CD1-CB 3.86Å; F301-P313 HydrophobicContact CE1-CB 4.09Å; P313-E315 VanDerWaalsContact C-N 3.3Å; P313-E315 PolarHBondContact O-N 3.36Å; P313-I316 PolarHBondContact O-N 3.42Å; P313-W317 PolarHBondContact O-N 2.87Å; P313-I321 HydrophobicContact CB-CD1 3.7Å; P313-I321 HydrophobicContact CB-CG1 3.88Å; P313-I321 WeakPolarHBondContact O-CG1 3.47Å; P313-V332 HydrophobicContact CB-CG2 3.86Å; P313-V332 HydrophobicContact CG-CG2 3.89Å
314	A	89.1	Confident	89.2	Confident	45 Å²	45	56.6 Å²	56.6	37%	0.372	32%	0.315	S	S	.	.	H	α-helix	trans	-71.6	-22.7	179.3	0	0	0	0	0	112.9	D312 P318 I321	D312-A314 PolarHBondContact O-N 3.12Å; D312-A314 WeakPolarHBondContact OD1-CB 3.39Å; D312-A314 PolarHBondContact OD1-N 3.27Å; A314-P318 VanDerWaalsContact O-CA 3.29Å; A314-P318 WeakPolarHBondContact O-CA 3.3Å; A314-P318 VanDerWaalsContact O-CB 3.25Å; A314-P318 WeakPolarHBondContact O-CB 3.49Å; A314-P318 WeakPolarHBondContact O-CD 3.38Å; A314-P318 WeakPolarHBondContact O-CG 3.22Å; A314-I321 HydrophobicContact CB-CG2 4.37Å
315	E	89.3	Confident	88.8	Confident	134 Å²	134	58.1 Å²	58.1	63%	0.626	33%	0.325	S	S	*	.	H	α-helix	trans	-81	-33.9	170.9	-67.1	-179.6	179.2	0	0	111.8	A310 D312 P313	A310-E315 HydrophobicContact CB-CB 4.29Å; D312-E315 HydrophobicContact CB-CB 4.22Å; D312-E315 HydrophobicContact CB-CG 3.93Å; D312-E315 PolarHBondContact O-N 2.78Å; D312-E315 VanDerWaalsContact O-N 3.12Å; P313-E315 VanDerWaalsContact C-N 3.3Å; P313-E315 PolarHBondContact O-N 3.36Å
316	I	86.8	Confident	88.4	Confident	19 Å²	19	63.3 Å²	63.3	10%	0.097	37%	0.368	C	S	.	.	H	α-helix	trans	-77.6	-44.1	-175.4	-62.2	161.4	0	0	0	111.4	R224 F301 V303 T308 A310 D312 P313	R224-I316 PolarHBondContact NH2-O 3.14Å; F301-I316 HydrophobicContact CE1-CB 3.98Å; F301-I316 HydrophobicContact CE1-CD1 4.25Å; F301-I316 HydrophobicContact CE1-CG2 3.8Å; F301-I316 HydrophobicContact CZ-CB 4.38Å; F301-I316 HydrophobicContact CZ-CG2 3.95Å; V303-I316 HydrophobicContact CG1-CD1 4.07Å; V303-I316 HydrophobicContact CG1-CG2 4.27Å; V303-I316 HydrophobicContact CG2-CD1 3.72Å; V303-I316 HydrophobicContact CG2-CG2 4.2Å; T308-I316 HydrophobicContact CG2-CG1 4.47Å; A310-I316 HydrophobicContact CB-CG1 3.76Å; A310-I316 VanDerWaalsContact O-CD1 3.25Å; A310-I316 WeakPolarHBondContact O-CD1 3.37Å; D312-I316 WeakPolarHBondContact O-CD1 3.25Å; D312-I316 VanDerWaalsContact O-CG1 3.22Å; D312-I316 WeakPolarHBondContact O-CG1 3.43Å; D312-I316 PolarHBondContact O-N 3.18Å; D312-I316 VanDerWaalsContact O-N 3.16Å; P313-I316 PolarHBondContact O-N 3.42Å
317	W	88.4	Confident	88.1	Confident	61 Å²	61	69.6 Å²	69.6	23%	0.231	39%	0.389	C	S	.	.			trans	-146.8	70.2	-179.8	-156.6	-7	0	0	0	112.4	R224 F301 P313 E319 F320 I321	R224-W317 HydrophobicContact CG-CD2 4.36Å; R224-W317 HydrophobicContact CG-CE3 3.82Å; R224-W317 HydrophobicContact CG-CH2 4.3Å; R224-W317 HydrophobicContact CG-CZ3 3.82Å; F301-W317 HydrophobicContact CE2-CB 4.13Å; F301-W317 AromaticContact CE2-CE3 3.82Å; F301-W317 HydrophobicContact CE2-CE3 3.82Å; F301-W317 HydrophobicContact CZ-CB 3.59Å; F301-W317 HydrophobicContact CZ-CE3 4.2Å; P313-W317 PolarHBondContact O-N 2.87Å; W317-E319 VanDerWaalsContact C-N 3.33Å; W317-E319 PolarHBondContact NE1-OE1 3.17Å; W317-E319 PolarHBondContact O-N 3.22Å; W317-F320 HydrophobicContact CB-CB 4.25Å; W317-F320 HydrophobicContact CD2-CB 3.75Å; W317-F320 HydrophobicContact CD2-CG 4.4Å; W317-F320 HydrophobicContact CE3-CB 4.31Å; W317-F320 HydrophobicContact CE3-CG 4.49Å; W317-F320 HydrophobicContact CG-CB 3.69Å; W317-F320 PolarHBondContact O-N 3.5Å; W317-F320 VanDerWaalsContact O-N 3.14Å; W317-I321 WeakPolarHBondContact O-CG1 3.45Å; W317-I321 PolarHBondContact O-N 2.83Å
318	P	86.5	Confident	88.1	Confident	65 Å²	65	65.6 Å²	65.6	42%	0.422	36%	0.364	S	S	.	.	H	α-helix	trans	-53.4	-45.1	-171	-13.1	14.4	0	0	0	113.8	A314 F320 I321 A322	A314-P318 VanDerWaalsContact O-CA 3.29Å; A314-P318 WeakPolarHBondContact O-CA 3.3Å; A314-P318 VanDerWaalsContact O-CB 3.25Å; A314-P318 WeakPolarHBondContact O-CB 3.49Å; A314-P318 WeakPolarHBondContact O-CD 3.38Å; A314-P318 WeakPolarHBondContact O-CG 3.22Å; P318-F320 VanDerWaalsContact C-N 3.34Å; P318-F320 PolarHBondContact O-N 3.12Å; P318-I321 PolarHBondContact O-N 3.34Å; P318-A322 VanDerWaalsContact O-CB 3.24Å; P318-A322 WeakPolarHBondContact O-CB 3.35Å; P318-A322 PolarHBondContact O-N 3.2Å
319	E	84.4	Confident	88.2	Confident	120 Å²	120	66 Å²	66	56%	0.561	37%	0.367	S	S	*	.	H	α-helix	trans	-67.4	-32.1	-176.3	65.6	-85	-165.2	0	0	113.4	W317	W317-E319 VanDerWaalsContact C-N 3.33Å; W317-E319 PolarHBondContact NE1-OE1 3.17Å; W317-E319 PolarHBondContact O-N 3.22Å
320	F	85	Confident	88.4	Confident	10 Å²	10	59.6 Å²	59.6	4%	0.044	33%	0.333	C	S	.	.	H	α-helix	trans	-71.7	-47.4	175.5	175.8	-105.5	0	0	0	110.2	A222 L274 W290 I293 V299 F301 W317 P318 A322 R323 L324	A222-F320 HydrophobicContact CB-CE1 3.62Å; A222-F320 HydrophobicContact CB-CE2 4.16Å; A222-F320 HydrophobicContact CB-CZ 3.31Å; L274-F320 HydrophobicContact CD1-CE2 4.2Å; W290-F320 AromaticContact CH2-CD2 3.56Å; W290-F320 HydrophobicContact CH2-CD2 3.56Å; W290-F320 AromaticContact CH2-CE2 3.58Å; W290-F320 HydrophobicContact CH2-CE2 3.58Å; W290-F320 AromaticContact CZ2-CD2 3.76Å; W290-F320 HydrophobicContact CZ2-CD2 3.76Å; W290-F320 AromaticContact CZ2-CE2 3.9Å; W290-F320 HydrophobicContact CZ2-CE2 3.9Å; W290-F320 HydrophobicContact CZ3-CE2 4.4Å; I293-F320 HydrophobicContact CD1-CE2 4.49Å; V299-F320 HydrophobicContact CG1-CE1 4.38Å; F301-F320 HydrophobicContact CD2-CD1 4.04Å; F301-F320 AromaticContact CD2-CE1 3.93Å; F301-F320 HydrophobicContact CD2-CE1 3.93Å; F301-F320 AromaticContact CE2-CD1 3.82Å; F301-F320 HydrophobicContact CE2-CD1 3.82Å; F301-F320 HydrophobicContact CE2-CE1 4.17Å; W317-F320 HydrophobicContact CB-CB 4.25Å; W317-F320 HydrophobicContact CD2-CB 3.75Å; W317-F320 HydrophobicContact CD2-CG 4.4Å; W317-F320 HydrophobicContact CE3-CB 4.31Å; W317-F320 HydrophobicContact CE3-CG 4.49Å; W317-F320 HydrophobicContact CG-CB 3.69Å; W317-F320 PolarHBondContact O-N 3.5Å; W317-F320 VanDerWaalsContact O-N 3.14Å; P318-F320 VanDerWaalsContact C-N 3.34Å; P318-F320 PolarHBondContact O-N 3.12Å; F320-A322 PolarHBondContact O-N 2.88Å; F320-R323 PolarHBondContact O-N 3.05Å; F320-L324 HydrophobicContact CD1-CD1 4.35Å; F320-L324 HydrophobicContact CE1-CD1 3.85Å; F320-L324 HydrophobicContact CE1-CD2 4.3Å; F320-L324 HydrophobicContact CE1-CG 4.29Å; F320-L324 HydrophobicContact CE2-CD2 4.44Å; F320-L324 HydrophobicContact CZ-CD1 4.32Å; F320-L324 HydrophobicContact CZ-CD2 3.94Å; F320-L324 HydrophobicContact CZ-CG 4.38Å; F320-L324 PolarHBondContact O-N 3.31Å
321	I	87.8	Confident	88.7	Confident	25 Å²	25	58.6 Å²	58.6	13%	0.128	33%	0.325	C	S	.	.	H	α-helix	trans	-65.8	-40.2	-178.7	-58	-56.3	0	0	0	111.8	P313 A314 W317 P318 R323 L324 I330	P313-I321 HydrophobicContact CB-CD1 3.7Å; P313-I321 HydrophobicContact CB-CG1 3.88Å; P313-I321 WeakPolarHBondContact O-CG1 3.47Å; A314-I321 HydrophobicContact CB-CG2 4.37Å; W317-I321 WeakPolarHBondContact O-CG1 3.45Å; W317-I321 PolarHBondContact O-N 2.83Å; P318-I321 PolarHBondContact O-N 3.34Å; I321-R323 PolarHBondContact O-N 3.46Å; I321-R323 VanDerWaalsContact O-N 3.17Å; I321-L324 HydrophobicContact CD1-CD1 3.89Å; I321-L324 PolarHBondContact O-N 3.33Å; I321-L324 VanDerWaalsContact O-N 3.12Å; I321-I330 HydrophobicContact CD1-CD1 4.21Å; I321-I330 HydrophobicContact CG2-CD1 4.33Å
322	A	87.1	Confident	89	Confident	90 Å²	90	56.8 Å²	56.8	74%	0.744	31%	0.314	S	S	*	.	H	α-helix	trans	-62.7	-21.2	177.4	0	0	0	0	0	113.5	P318 F320	P318-A322 VanDerWaalsContact O-CB 3.24Å; P318-A322 WeakPolarHBondContact O-CB 3.35Å; P318-A322 PolarHBondContact O-N 3.2Å; F320-A322 PolarHBondContact O-N 2.88Å
323	R	86.5	Confident	89.3	Confident	135 Å²	135	55.8 Å²	55.8	51%	0.509	31%	0.308	S	S	.	.	H	α-helix	trans	-92.6	-14	178.3	-171	171.7	171	-177.2	1.8	113.1	W290 F320 I321	W290-R323 HydrophobicContact CD2-CG 4.22Å; W290-R323 VanDerWaalsContact CE2-CZ 3.48Å; W290-R323 HydrophobicContact CE3-CG 3.89Å; W290-R323 HydrophobicContact CH2-CB 3.58Å; W290-R323 HydrophobicContact CH2-CG 3.62Å; W290-R323 HydrophobicContact CZ2-CB 4.19Å; W290-R323 VanDerWaalsContact CZ2-CD 3.48Å; W290-R323 HydrophobicContact CZ2-CG 3.97Å; W290-R323 HydrophobicContact CZ3-CB 3.83Å; W290-R323 HydrophobicContact CZ3-CG 3.56Å; W290-R323 VanDerWaalsContact NE1-NH1 3.13Å; F320-R323 PolarHBondContact O-N 3.05Å; I321-R323 PolarHBondContact O-N 3.46Å; I321-R323 VanDerWaalsContact O-N 3.17Å
324	L	87.8	Confident	89.7	Confident	17 Å²	17	55.9 Å²	55.9	9%	0.089	31%	0.308	C	S	.	.	S	Bend	trans	-70	148.1	176.7	-67.7	174.8	0	0	0	111.3	W290 I293 V299 F320 I321 A326 L328 I330	W290-L324 HydrophobicContact CH2-CD2 4.37Å; W290-L324 HydrophobicContact CZ3-CD2 3.87Å; W290-L324 HydrophobicContact CZ3-CG 4.47Å; I293-L324 HydrophobicContact CG2-CD2 3.41Å; I293-L324 VanDerWaalsContact CG2-CD2 3.41Å; V299-L324 HydrophobicContact CG2-CD1 4.31Å; V299-L324 HydrophobicContact CG2-CD2 4.11Å; F320-L324 HydrophobicContact CD1-CD1 4.35Å; F320-L324 HydrophobicContact CE1-CD1 3.85Å; F320-L324 HydrophobicContact CE1-CD2 4.3Å; F320-L324 HydrophobicContact CE1-CG 4.29Å; F320-L324 HydrophobicContact CE2-CD2 4.44Å; F320-L324 HydrophobicContact CZ-CD1 4.32Å; F320-L324 HydrophobicContact CZ-CD2 3.94Å; F320-L324 HydrophobicContact CZ-CG 4.38Å; F320-L324 PolarHBondContact O-N 3.31Å; I321-L324 HydrophobicContact CD1-CD1 3.89Å; I321-L324 PolarHBondContact O-N 3.33Å; I321-L324 VanDerWaalsContact O-N 3.12Å; L324-A326 PolarHBondContact O-N 2.8Å; L324-L328 HydrophobicContact CD2-CD2 4.27Å; L324-I330 HydrophobicContact CD1-CD1 3.67Å; L324-I330 HydrophobicContact CD1-CG1 3.98Å
325	P	86.9	Confident	90.1	Very high	50 Å²	50	54 Å²	54	33%	0.325	29%	0.292	S	S	.	.			trans	-57.6	132	171.1	-21.6	31.4	0	0	0	111.2	E294 K327 L328	E294-P325 HydrophobicContact CB-CG 4.46Å; E294-P325 HydrophobicContact CG-CG 4.03Å; P325-K327 PolarHBondContact O-N 3.29Å; P325-L328 HydrophobicContact CB-CB 4.12Å; P325-L328 HydrophobicContact CG-CB 4.41Å; P325-L328 HydrophobicContact CG-CD2 4.36Å; P325-L328 VanDerWaalsContact O-CB 3.31Å; P325-L328 WeakPolarHBondContact O-CB 3.24Å; P325-L328 PolarHBondContact O-N 3.14Å
326	A	84.6	Confident	90.4	Very high	112 Å²	112	49.8 Å²	49.8	93%	0.926	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-23.6	-172.3	0	0	0	0	0	115.2	L324	L324-A326 PolarHBondContact O-N 2.8Å
327	K	87	Confident	90.8	Very high	202 Å²	202	49.2 Å²	49.2	88%	0.878	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-8.1	178.8	-65.1	-174.4	-179.8	-178	0	113.7	P325 P329	P325-K327 PolarHBondContact O-N 3.29Å; K327-P329 VanDerWaalsContact O-CD 3.23Å; K327-P329 WeakPolarHBondContact O-CD 3.12Å
328	L	90.5	Very high	91.1	Very high	19 Å²	19	49.2 Å²	49.2	10%	0.099	27%	0.274	C	S	.	.	S	Bend	trans	-71.2	117.4	-176.8	-178.6	58.3	0	0	0	109.3	I293 A296 V299 L324 P325 I330	I293-L328 HydrophobicContact CG2-CD2 4.05Å; I293-L328 WeakPolarHBondContact O-CD2 3.42Å; A296-L328 HydrophobicContact CB-CD1 4.32Å; A296-L328 WeakPolarHBondContact O-CD1 3.24Å; V299-L328 HydrophobicContact CG2-CD2 3.49Å; V299-L328 VanDerWaalsContact CG2-CD2 3.49Å; V299-L328 HydrophobicContact CG2-CG 3.96Å; L324-L328 HydrophobicContact CD2-CD2 4.27Å; P325-L328 HydrophobicContact CB-CB 4.12Å; P325-L328 HydrophobicContact CG-CB 4.41Å; P325-L328 HydrophobicContact CG-CD2 4.36Å; P325-L328 VanDerWaalsContact O-CB 3.31Å; P325-L328 WeakPolarHBondContact O-CB 3.24Å; P325-L328 PolarHBondContact O-N 3.14Å; L328-I330 PolarHBondContact O-N 2.85Å
329	P	93.3	Very high	91.5	Very high	51 Å²	51	51.3 Å²	51.3	33%	0.331	28%	0.281	S	S	.	.			trans	-63.1	134	-179.4	-24.2	35.9	0	0	0	111.9	D297 R298 V299 K327	D297-P329 WeakPolarHBondContact O-CD 3.48Å; R298-P329 WeakPolarHBondContact CA-O 3.47Å; R298-P329 HydrophobicContact CG-CB 4.43Å; R298-P329 WeakPolarHBondContact CG-O 3.39Å; V299-P329 PolarHBondContact N-O 3.49Å; K327-P329 VanDerWaalsContact O-CD 3.23Å; K327-P329 WeakPolarHBondContact O-CD 3.12Å
330	I	94.6	Very high	92	Very high	15 Å²	15	48 Å²	48	8%	0.077	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	132.2	176.9	-59.5	159.5	0	0	0	108.7	V299 F301 I321 L324 L328 V332	V299-I330 HydrophobicContact CB-CG1 4.38Å; F301-I330 HydrophobicContact CB-CG2 3.97Å; I321-I330 HydrophobicContact CD1-CD1 4.21Å; I321-I330 HydrophobicContact CG2-CD1 4.33Å; L324-I330 HydrophobicContact CD1-CD1 3.67Å; L324-I330 HydrophobicContact CD1-CG1 3.98Å; L328-I330 PolarHBondContact O-N 2.85Å; I330-V332 HydrophobicContact CG2-CG2 4.47Å
331	T	96.7	Very high	92.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	113.3	168.7	-58.5	0	0	0	0	108.3	R298 V299 L300 F301 V333 A353 I355 L368 H371	R298-T331 PolarHBondContact NH1-OG1 3.35Å; R298-T331 VanDerWaalsContact NH1-OG1 3.17Å; V299-T331 PolarHBondContact O-N 3.19Å; L300-T331 CarbonylContact C-O 3.52Å; L300-T331 WeakPolarHBondContact CA-O 3.4Å; L300-T331 HydrophobicContact CD2-CG2 4.13Å; F301-T331 PolarHBondContact N-O 2.83Å; T331-V333 HydrophobicContact CG2-CG2 4.32Å; T331-A353 CarbonylContact C-O 3.57Å; T331-A353 VanDerWaalsContact CA-O 3.3Å; T331-A353 WeakPolarHBondContact CA-O 3.31Å; T331-A353 HydrophobicContact CG2-CB 3.96Å; T331-I355 HydrophobicContact CG2-CD1 3.94Å; T331-I355 HydrophobicContact CG2-CG1 4.18Å; T331-L368 HydrophobicContact CG2-CD1 4.5Å; T331-H371 PolarHBondContact OG1-NE2 3.07Å
332	V	96.8	Very high	92.4	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.006	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	123.9	174.9	-176.4	0	0	0	0	108.5	F301 V303 P313 I330 R334 A353 L354 I355	F301-V332 HydrophobicContact CD1-CG1 4.37Å; F301-V332 HydrophobicContact CD1-CG2 4.32Å; F301-V332 WeakPolarHBondContact O-CA 3.25Å; V303-V332 HydrophobicContact CG2-CG1 3.77Å; P313-V332 HydrophobicContact CB-CG2 3.86Å; P313-V332 HydrophobicContact CG-CG2 3.89Å; I330-V332 HydrophobicContact CG2-CG2 4.47Å; V332-R334 HydrophobicContact CG1-CG 4.36Å; V332-A353 PolarHBondContact N-O 3.36Å; V332-L354 HydrophobicContact CB-CD1 3.69Å; V332-L354 HydrophobicContact CG1-CD1 3.57Å; V332-L354 CarbonylContact O-C 3.46Å; V332-L354 WeakPolarHBondContact O-CA 3.33Å; V332-I355 PolarHBondContact O-N 2.84Å
333	V	97.4	Very high	92.7	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	101.3	178.5	-177.5	0	0	0	0	108.3	L300 F301 M302 V303 T331 N335 I355 L357 L368	L300-V333 HydrophobicContact CB-CG2 4.4Å; L300-V333 HydrophobicContact CD2-CG2 4.32Å; F301-V333 PolarHBondContact O-N 3.5Å; M302-V333 HydrophobicContact CE-CG1 4.39Å; M302-V333 HydrophobicContact SD-CB 3.52Å; M302-V333 VanDerWaalsContact SD-CB 3.52Å; M302-V333 HydrophobicContact SD-CG1 3.41Å; M302-V333 WeakPolarHBondContact SD-CG1 3.45Å; M302-V333 HydrophobicContact SD-CG2 4.34Å; V303-V333 PolarHBondContact N-O 2.84Å; T331-V333 HydrophobicContact CG2-CG2 4.32Å; V333-N335 PolarHBondContact O-N 2.87Å; V333-I355 CarbonylContact C-O 3.53Å; V333-I355 WeakPolarHBondContact CA-O 3.37Å; V333-L357 HydrophobicContact CG1-CD1 3.94Å; V333-L357 HydrophobicContact CG1-CD2 3.52Å; V333-L357 HydrophobicContact CG1-CG 3.61Å; V333-L368 HydrophobicContact CG2-CD1 4.33Å
334	R	96.8	Very high	93.1	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.008	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	105.9	174.3	-74.4	-174.4	64.7	83.2	8.4	109.4	V303 G305 T308 A310 V332 E342 L354 I355 R356 L357	V303-R334 HydrophobicContact CB-CG 4.29Å; G305-R334 VanDerWaalsContact CA-NH2 3.29Å; G305-R334 PolarHBondContact O-NH2 3.03Å; T308-R334 VanDerWaalsContact O-CZ 3.29Å; T308-R334 PolarHBondContact O-NH1 3.4Å; T308-R334 PolarHBondContact O-NH2 3.17Å; A310-R334 PolarHBondContact O-NH1 3.42Å; V332-R334 HydrophobicContact CG1-CG 4.36Å; R334-E342 IonicContact CZ-OE1 3.83Å; R334-E342 IonicContact CZ-OE2 3.67Å; R334-E342 IonicContact NE-OE1 3.5Å; R334-E342 PolarHBondContact NE-OE1 3.03Å; R334-E342 IonicContact NE-OE2 3.39Å; R334-E342 PolarHBondContact NE-OE2 2.92Å; R334-E342 IonicContact NH2-OE1 2.71Å; R334-E342 IonicContact NH2-OE2 2.83Å; R334-E342 PolarHBondContact NH2-OE2 3.41Å; R334-L354 HydrophobicContact CG-CD1 3.8Å; R334-I355 PolarHBondContact N-O 3.27Å; R334-R356 HydrophobicContact CB-CG 4.02Å; R334-R356 WeakPolarHBondContact O-CA 3.29Å; R334-L357 PolarHBondContact O-N 3.17Å
335	N	97	Very high	93.3	Very high	5 Å²	5	50 Å²	50	3%	0.027	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	165.7	-177.4	-171.9	29.2	0	0	0	112	A227 M302 V303 G305 V333 L357 A359	A227-N335 PolarHBondContact O-ND2 3.46Å; M302-N335 HydrophobicContact CE-CB 3.64Å; V303-N335 PolarHBondContact O-N 3.31Å; G305-N335 PolarHBondContact N-O 2.92Å; V333-N335 PolarHBondContact O-N 2.87Å; N335-L357 CarbonylContact C-O 3.59Å; N335-L357 WeakPolarHBondContact CA-O 3.41Å; N335-A359 VanDerWaalsContact OD1-CB 3.27Å; N335-A359 WeakPolarHBondContact OD1-CB 3.45Å; N335-A359 PolarHBondContact OD1-N 3.48Å
336	K	96.2	Very high	93.7	Very high	47 Å²	47	52.1 Å²	52.1	20%	0.204	31%	0.308	C	S	.	.			trans	70.2	33.4	-179.6	-47.9	-171.2	-167.4	171.6	0	113.7	N226 D304 T306 D338 I339 T340 L357	N226-K336 WeakPolarHBondContact O-CE 3.44Å; N226-K336 PolarHBondContact O-NZ 3.15Å; N226-K336 VanDerWaalsContact O-NZ 3.13Å; D304-K336 WeakPolarHBondContact OD1-CD 3.47Å; D304-K336 IonicContact OD1-NZ 2.65Å; D304-K336 WeakPolarHBondContact OD2-CE 3.28Å; D304-K336 IonicContact OD2-NZ 3.88Å; D304-K336 PolarHBondContact OD2-NZ 3.07Å; T306-K336 HydrophobicContact CG2-CB 4.06Å; T306-K336 HydrophobicContact CG2-CD 4.24Å; K336-D338 WeakPolarHBondContact CA-OD1 3.29Å; K336-D338 PolarHBondContact O-N 3.36Å; K336-D338 VanDerWaalsContact O-N 3.17Å; K336-I339 HydrophobicContact CB-CD1 4.3Å; K336-I339 HydrophobicContact CB-CG1 4.49Å; K336-I339 HydrophobicContact CD-CD1 4.3Å; K336-I339 PolarHBondContact O-N 3.1Å; K336-T340 PolarHBondContact O-N 2.88Å; K336-L357 PolarHBondContact N-O 3.27Å
337	A	95.2	Very high	94.2	Very high	7 Å²	7	48.9 Å²	48.9	6%	0.058	28%	0.278	C	S	.	.	H	α-helix	trans	-58.3	-23.9	173.8	0	0	0	0	0	113.4	I339 T340 G341 L344 L357	A337-I339 PolarHBondContact O-N 3.2Å; A337-T340 WeakPolarHBondContact CA-OG1 3.32Å; A337-G341 WeakPolarHBondContact O-CA 3.24Å; A337-G341 PolarHBondContact O-N 2.8Å; A337-L344 HydrophobicContact CB-CD2 3.51Å; A337-L357 WeakPolarHBondContact CB-O 3.4Å; A337-L357 PolarHBondContact N-O 3.29Å
338	D	94.7	Very high	94.5	Very high	61 Å²	61	46.2 Å²	46.2	33%	0.326	27%	0.269	S	S	.	.	H	α-helix	trans	-62.8	-23.9	171.4	58.8	-64	0	0	0	113.3	K336 S358 T361	K336-D338 WeakPolarHBondContact CA-OD1 3.29Å; K336-D338 PolarHBondContact O-N 3.36Å; K336-D338 VanDerWaalsContact O-N 3.17Å; D338-S358 VanDerWaalsContact CG-OG 3.26Å; D338-S358 VanDerWaalsContact OD1-CB 3.27Å; D338-S358 WeakPolarHBondContact OD1-CB 3.33Å; D338-S358 PolarHBondContact OD1-OG 3.03Å; D338-T361 HydrophobicContact CB-CG2 4.12Å
339	I	95.5	Very high	94.4	Very high	109 Å²	109	46.9 Å²	46.9	56%	0.559	27%	0.273	S	S	*	.	H	α-helix	trans	-100.3	-45.3	178.5	-54.8	179.1	0	0	0	110.6	T306 K336 A337 G341	T306-I339 HydrophobicContact CG2-CB 3.95Å; T306-I339 HydrophobicContact CG2-CD1 4.42Å; T306-I339 HydrophobicContact CG2-CG2 3.79Å; K336-I339 HydrophobicContact CB-CD1 4.3Å; K336-I339 HydrophobicContact CB-CG1 4.49Å; K336-I339 HydrophobicContact CD-CD1 4.3Å; K336-I339 PolarHBondContact O-N 3.1Å; A337-I339 PolarHBondContact O-N 3.2Å; I339-G341 VanDerWaalsContact C-N 3.28Å; I339-G341 PolarHBondContact O-N 3.46Å
340	T	93.8	Very high	94	Very high	49 Å²	49	50.1 Å²	50.1	30%	0.301	29%	0.288	S	S	.	.	H	α-helix	trans	-73	-23	-176.8	62.1	0	0	0	0	112.7	G305 T306 K336 A337 E342	G305-T340 WeakPolarHBondContact O-CG2 3.41Å; T306-T340 HydrophobicContact CG2-CG2 3.74Å; K336-T340 PolarHBondContact O-N 2.88Å; A337-T340 WeakPolarHBondContact CA-OG1 3.32Å; T340-E342 PolarHBondContact O-N 2.94Å; T340-E342 WeakPolarHBondContact OG1-CB 3.32Å; T340-E342 WeakPolarHBondContact OG1-CG 3.22Å; T340-E342 PolarHBondContact OG1-N 3.28Å; T340-E342 PolarHBondContact OG1-OE2 3.12Å
341	G	91.5	Very high	93.6	Very high	64 Å²	64	52.1 Å²	52.1	66%	0.66	31%	0.312	S	S	*	.			trans	69.7	13.3	-172.8	0	0	0	0	0	113.2	A337 I339	A337-G341 WeakPolarHBondContact O-CA 3.24Å; A337-G341 PolarHBondContact O-N 2.8Å; I339-G341 VanDerWaalsContact C-N 3.28Å; I339-G341 PolarHBondContact O-N 3.46Å
342	E	90.9	Very high	93.3	Very high	43 Å²	43	54.4 Å²	54.4	20%	0.201	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-59.7	141.9	175.5	-80.3	-174.4	84.6	0	0	111	R334 T340 L344 R356	R334-E342 IonicContact CZ-OE1 3.83Å; R334-E342 IonicContact CZ-OE2 3.67Å; R334-E342 IonicContact NE-OE1 3.5Å; R334-E342 PolarHBondContact NE-OE1 3.03Å; R334-E342 IonicContact NE-OE2 3.39Å; R334-E342 PolarHBondContact NE-OE2 2.92Å; R334-E342 IonicContact NH2-OE1 2.71Å; R334-E342 IonicContact NH2-OE2 2.83Å; R334-E342 PolarHBondContact NH2-OE2 3.41Å; T340-E342 PolarHBondContact O-N 2.94Å; T340-E342 WeakPolarHBondContact OG1-CB 3.32Å; T340-E342 WeakPolarHBondContact OG1-CG 3.22Å; T340-E342 PolarHBondContact OG1-N 3.28Å; T340-E342 PolarHBondContact OG1-OE2 3.12Å; E342-L344 PolarHBondContact O-N 2.88Å; E342-R356 WeakPolarHBondContact OE1-CD 3.45Å; E342-R356 IonicContact OE1-CZ 3.6Å; E342-R356 IonicContact OE1-NE 2.74Å; E342-R356 PolarHBondContact OE1-NE 3.11Å
343	T	93.1	Very high	93.3	Very high	125 Å²	125	55 Å²	55	77%	0.767	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-66.6	122.4	176.5	-52.9	0	0	0	0	110.2	R356	T343-R356 WeakPolarHBondContact O-CB 3.46Å; T343-R356 WeakPolarHBondContact O-CD 3.37Å
344	L	95	Very high	93.3	Very high	69 Å²	69	55 Å²	55	36%	0.361	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-65	147.3	177.5	-57.8	171	0	0	0	111.1	A337 E342 E363	A337-L344 HydrophobicContact CB-CD2 3.51Å; E342-L344 PolarHBondContact O-N 2.88Å; L344-E363 HydrophobicContact CD1-CB 3.68Å; L344-E363 HydrophobicContact CD1-CG 4.43Å; L344-E363 HydrophobicContact CD2-CB 4.45Å
345	G	92.8	Very high	93.3	Very high	20 Å²	20	54.9 Å²	54.9	21%	0.206	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	136.3	-173.3	175.8	0	0	0	0	0	113.1	I355 R356	G345-I355 WeakPolarHBondContact O-CA 3.42Å; G345-R356 PolarHBondContact N-O 2.93Å; G345-R356 PolarHBondContact O-N 3.42Å
346	M	95.2	Very high	93.4	Very high	94 Å²	94	57 Å²	57	46%	0.463	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	138	-179.6	-177.5	176.8	172	0	0	110.2	A353 L354 I355 V367 H371	M346-A353 HydrophobicContact CE-CB 3.87Å; M346-L354 CarbonylContact C-O 3.57Å; M346-L354 WeakPolarHBondContact CA-O 3.47Å; M346-I355 HydrophobicContact CB-CG1 4.15Å; M346-I355 HydrophobicContact CG-CG1 4.01Å; M346-V367 HydrophobicContact CB-CG1 3.7Å; M346-H371 VanDerWaalsContact CE-ND1 3.27Å; M346-H371 WeakPolarHBondContact CE-ND1 3.32Å; M346-H371 HydrophobicContact SD-CB 4.23Å
347	S	94.4	Very high	93.4	Very high	44 Å²	44	54.8 Å²	54.8	31%	0.308	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	175.5	170.1	56.2	0	0	0	0	108.7	L354 R356	S347-L354 PolarHBondContact N-O 2.94Å; S347-L354 PolarHBondContact O-N 3.02Å; S347-R356 PolarHBondContact OG-NH1 2.99Å
348	E	92.8	Very high	93.5	Very high	145 Å²	145	54.5 Å²	54.5	68%	0.678	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121	138.8	174.6	-166.5	-177.4	151.8	0	0	109.9	G351 H352	E348-G351 WeakPolarHBondContact OE1-CA 3.23Å; E348-H352 WeakPolarHBondContact CA-O 3.4Å
349	V	88.2	Confident	93.4	Very high	33 Å²	33	51.8 Å²	51.8	20%	0.2	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	121.8	176	178.8	0	0	0	0	108.4	V311 G351 H352 L354	V311-V349 HydrophobicContact CB-CG2 4.44Å; V311-V349 HydrophobicContact CG2-CG1 3.94Å; V311-V349 HydrophobicContact CG2-CG2 4.18Å; V349-G351 PolarHBondContact O-N 3.36Å; V349-H352 PolarHBondContact N-O 2.98Å; V349-H352 WeakPolarHBondContact O-CB 3.4Å; V349-H352 PolarHBondContact O-N 2.7Å; V349-L354 HydrophobicContact CG2-CB 4.36Å; V349-L354 HydrophobicContact CG2-CD2 3.64Å
350	N	85.8	Confident	93.2	Very high	119 Å²	119	56.2 Å²	56.2	64%	0.636	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	38.7	177.6	-63.5	-20.3	0	0	0	114.1	D312 H352	D312-N350 PolarHBondContact OD2-ND2 3.46Å; N350-H352 VanDerWaalsContact C-N 3.25Å; N350-H352 PolarHBondContact O-N 3.48Å
351	G	86.3	Confident	93.1	Very high	57 Å²	57	57.5 Å²	57.5	59%	0.588	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.7	-0.6	-178.2	0	0	0	0	0	114.7	E348 V349	E348-G351 WeakPolarHBondContact OE1-CA 3.23Å; V349-G351 PolarHBondContact O-N 3.36Å
352	H	91	Very high	93.1	Very high	49 Å²	49	55 Å²	55	23%	0.227	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	135.3	177.1	-58.5	-58.5	0	0	0	111.1	E348 V349 N350 L354	E348-H352 WeakPolarHBondContact CA-O 3.4Å; V349-H352 PolarHBondContact N-O 2.98Å; V349-H352 WeakPolarHBondContact O-CB 3.4Å; V349-H352 PolarHBondContact O-N 2.7Å; N350-H352 VanDerWaalsContact C-N 3.25Å; N350-H352 PolarHBondContact O-N 3.48Å; H352-L354 PolarHBondContact O-N 3.25Å
353	A	95.4	Very high	93.3	Very high	12 Å²	12	57.8 Å²	57.8	10%	0.099	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	130	169.6	0	0	0	0	0	109.6	T331 V332 M346 H371	T331-A353 CarbonylContact C-O 3.57Å; T331-A353 VanDerWaalsContact CA-O 3.3Å; T331-A353 WeakPolarHBondContact CA-O 3.31Å; T331-A353 HydrophobicContact CG2-CB 3.96Å; V332-A353 PolarHBondContact N-O 3.36Å; M346-A353 HydrophobicContact CE-CB 3.87Å; A353-H371 VanDerWaalsContact CB-CE1 3.48Å; A353-H371 WeakPolarHBondContact CB-CE1 3.42Å
354	L	97	Very high	93.3	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	116.4	178.6	175.1	65.6	0	0	0	109.4	V311 V332 R334 M346 S347 V349 H352 R356	V311-L354 HydrophobicContact CB-CD2 3.81Å; V311-L354 HydrophobicContact CG1-CD2 3.78Å; V332-L354 HydrophobicContact CB-CD1 3.69Å; V332-L354 HydrophobicContact CG1-CD1 3.57Å; V332-L354 CarbonylContact O-C 3.46Å; V332-L354 WeakPolarHBondContact O-CA 3.33Å; R334-L354 HydrophobicContact CG-CD1 3.8Å; M346-L354 CarbonylContact C-O 3.57Å; M346-L354 WeakPolarHBondContact CA-O 3.47Å; S347-L354 PolarHBondContact N-O 2.94Å; S347-L354 PolarHBondContact O-N 3.02Å; V349-L354 HydrophobicContact CG2-CB 4.36Å; V349-L354 HydrophobicContact CG2-CD2 3.64Å; H352-L354 PolarHBondContact O-N 3.25Å; L354-R356 VanDerWaalsContact CD2-NH2 3.33Å
355	I	98	Very high	93.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	125.5	-179.7	-60	-179.8	0	0	0	109.4	T331 V332 V333 R334 G345 M346 L357 V367 L368 H371	T331-I355 HydrophobicContact CG2-CD1 3.94Å; T331-I355 HydrophobicContact CG2-CG1 4.18Å; V332-I355 PolarHBondContact O-N 2.84Å; V333-I355 CarbonylContact C-O 3.53Å; V333-I355 WeakPolarHBondContact CA-O 3.37Å; R334-I355 PolarHBondContact N-O 3.27Å; G345-I355 WeakPolarHBondContact O-CA 3.42Å; M346-I355 HydrophobicContact CB-CG1 4.15Å; M346-I355 HydrophobicContact CG-CG1 4.01Å; I355-L357 HydrophobicContact CG2-CD2 4.12Å; I355-V367 HydrophobicContact CG2-CG1 4.48Å; I355-L368 HydrophobicContact CD1-CB 4.23Å; I355-L368 HydrophobicContact CD1-CD1 3.84Å; I355-H371 HydrophobicContact CD1-CB 3.85Å
356	R	97.9	Very high	93.2	Very high	50 Å²	50	51.2 Å²	51.2	19%	0.189	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	123.5	173.3	-70.2	162.4	-179.3	95.4	-2.6	109.2	R334 E342 T343 G345 S347 L354	R334-R356 HydrophobicContact CB-CG 4.02Å; R334-R356 WeakPolarHBondContact O-CA 3.29Å; E342-R356 WeakPolarHBondContact OE1-CD 3.45Å; E342-R356 IonicContact OE1-CZ 3.6Å; E342-R356 IonicContact OE1-NE 2.74Å; E342-R356 PolarHBondContact OE1-NE 3.11Å; T343-R356 WeakPolarHBondContact O-CB 3.46Å; T343-R356 WeakPolarHBondContact O-CD 3.37Å; G345-R356 PolarHBondContact N-O 2.93Å; G345-R356 PolarHBondContact O-N 3.42Å; S347-R356 PolarHBondContact OG-NH1 2.99Å; L354-R356 VanDerWaalsContact CD2-NH2 3.33Å
357	L	97.7	Very high	93.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.264	C	S	.	.			trans	-147.5	167.7	-177.5	62.3	77	0	0	0	112.3	L232 V333 R334 N335 K336 A337 I355 A359 E363 V365 L368	L232-L357 HydrophobicContact CD1-CD1 4.23Å; L232-L357 HydrophobicContact CD1-CD2 4.12Å; V333-L357 HydrophobicContact CG1-CD1 3.94Å; V333-L357 HydrophobicContact CG1-CD2 3.52Å; V333-L357 HydrophobicContact CG1-CG 3.61Å; R334-L357 PolarHBondContact O-N 3.17Å; N335-L357 CarbonylContact C-O 3.59Å; N335-L357 WeakPolarHBondContact CA-O 3.41Å; K336-L357 PolarHBondContact N-O 3.27Å; A337-L357 WeakPolarHBondContact CB-O 3.4Å; A337-L357 PolarHBondContact N-O 3.29Å; I355-L357 HydrophobicContact CG2-CD2 4.12Å; L357-A359 HydrophobicContact CD1-CB 3.93Å; L357-A359 VanDerWaalsContact CD1-N 3.31Å; L357-E363 WeakPolarHBondContact CA-O 3.24Å; L357-E363 VanDerWaalsContact CB-O 3.29Å; L357-E363 WeakPolarHBondContact CB-O 3.48Å; L357-V365 HydrophobicContact CD2-CG2 4.41Å; L357-L368 HydrophobicContact CD2-CB 4.2Å; L357-L368 HydrophobicContact CD2-CD2 4.06Å
358	S	96.6	Very high	93.2	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.249	C	C	.	.			trans	-114.2	106.9	161.1	178.9	0	0	0	0	109.1	D338 R360 T361 G362 E363	D338-S358 VanDerWaalsContact CG-OG 3.26Å; D338-S358 VanDerWaalsContact OD1-CB 3.27Å; D338-S358 WeakPolarHBondContact OD1-CB 3.33Å; D338-S358 PolarHBondContact OD1-OG 3.03Å; S358-R360 PolarHBondContact O-N 3.04Å; S358-R360 PolarHBondContact OG-N 3.34Å; S358-T361 VanDerWaalsContact CB-OG1 3.25Å; S358-T361 WeakPolarHBondContact CB-OG1 3.33Å; S358-T361 PolarHBondContact O-N 3.21Å; S358-T361 PolarHBondContact OG-N 3.34Å; S358-T361 PolarHBondContact OG-OG1 3.06Å; S358-G362 WeakPolarHBondContact O-CA 3.46Å; S358-G362 PolarHBondContact O-N 3.44Å; S358-E363 PolarHBondContact N-O 3.49Å; S358-E363 PolarHBondContact O-N 3.18Å
359	A	93	Very high	93.2	Very high	5 Å²	5	40.9 Å²	40.9	4%	0.041	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-20.1	174.6	0	0	0	0	0	112	L232 N335 L357	L232-A359 HydrophobicContact CB-CB 4.04Å; L232-A359 HydrophobicContact CD1-CB 4.37Å; N335-A359 VanDerWaalsContact OD1-CB 3.27Å; N335-A359 WeakPolarHBondContact OD1-CB 3.45Å; N335-A359 PolarHBondContact OD1-N 3.48Å; L357-A359 HydrophobicContact CD1-CB 3.93Å; L357-A359 VanDerWaalsContact CD1-N 3.31Å
360	R	91.1	Very high	93.5	Very high	202 Å²	202	42.2 Å²	42.2	76%	0.762	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-44.4	178.6	-176.3	-176.2	177.7	-162	0.1	112.1	S358	S358-R360 PolarHBondContact O-N 3.04Å; S358-R360 PolarHBondContact OG-N 3.34Å
361	T	92.2	Very high	93.9	Very high	75 Å²	75	37.1 Å²	37.1	46%	0.46	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-18.3	-179.2	66.4	0	0	0	0	112.7	D338 S358 E363	D338-T361 HydrophobicContact CB-CG2 4.12Å; S358-T361 VanDerWaalsContact CB-OG1 3.25Å; S358-T361 WeakPolarHBondContact CB-OG1 3.33Å; S358-T361 PolarHBondContact O-N 3.21Å; S358-T361 PolarHBondContact OG-N 3.34Å; S358-T361 PolarHBondContact OG-OG1 3.06Å; T361-E363 VanDerWaalsContact C-N 3.29Å; T361-E363 WeakPolarHBondContact OG1-CB 3.26Å; T361-E363 WeakPolarHBondContact OG1-CG 3.29Å; T361-E363 PolarHBondContact OG1-N 2.95Å
362	G	91	Very high	94.3	Very high	13 Å²	13	34.4 Å²	34.4	13%	0.134	17%	0.17	C	C	.	.			trans	85.3	-0.3	-174.5	0	0	0	0	0	113.6	S358 V365	S358-G362 WeakPolarHBondContact O-CA 3.46Å; S358-G362 PolarHBondContact O-N 3.44Å; G362-V365 WeakPolarHBondContact O-CB 3.43Å; G362-V365 PolarHBondContact O-N 3.1Å
363	E	93.9	Very high	94.3	Very high	101 Å²	101	33 Å²	33	47%	0.472	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	131.5	177.4	-71.2	176.8	-174.3	0	0	111.2	L344 L357 S358 T361 V365	L344-E363 HydrophobicContact CD1-CB 3.68Å; L344-E363 HydrophobicContact CD1-CG 4.43Å; L344-E363 HydrophobicContact CD2-CB 4.45Å; L357-E363 WeakPolarHBondContact CA-O 3.24Å; L357-E363 VanDerWaalsContact CB-O 3.29Å; L357-E363 WeakPolarHBondContact CB-O 3.48Å; S358-E363 PolarHBondContact N-O 3.49Å; S358-E363 PolarHBondContact O-N 3.18Å; T361-E363 VanDerWaalsContact C-N 3.29Å; T361-E363 WeakPolarHBondContact OG1-CB 3.26Å; T361-E363 WeakPolarHBondContact OG1-CG 3.29Å; T361-E363 PolarHBondContact OG1-N 2.95Å; E363-V365 PolarHBondContact O-N 3.22Å
364	G	93.5	Very high	94.1	Very high	17 Å²	17	39.3 Å²	39.3	18%	0.175	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	80	-9.7	-177.1	0	0	0	0	0	115.2	E366 V367 L368	G364-E366 VanDerWaalsContact C-N 3.26Å; G364-E366 PolarHBondContact O-N 3.43Å; G364-V367 WeakPolarHBondContact O-CB 3.34Å; G364-V367 PolarHBondContact O-N 3.46Å; G364-V367 VanDerWaalsContact O-N 3.1Å; G364-L368 PolarHBondContact O-N 3.32Å
365	V	93.6	Very high	93.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64.2	-31.2	179.4	177.7	0	0	0	0	112	L232 A235 L236 L357 G362 E363 V367 L368 R369	L232-V365 HydrophobicContact CD1-CG2 4.46Å; A235-V365 HydrophobicContact CB-CG1 4.33Å; A235-V365 HydrophobicContact CB-CG2 3.98Å; L236-V365 HydrophobicContact CD2-CG1 3.87Å; L236-V365 HydrophobicContact CG-CG1 4.4Å; L357-V365 HydrophobicContact CD2-CG2 4.41Å; G362-V365 WeakPolarHBondContact O-CB 3.43Å; G362-V365 PolarHBondContact O-N 3.1Å; E363-V365 PolarHBondContact O-N 3.22Å; V365-V367 VanDerWaalsContact C-N 3.27Å; V365-V367 PolarHBondContact O-N 2.98Å; V365-L368 WeakPolarHBondContact O-CB 3.45Å; V365-L368 PolarHBondContact O-N 2.95Å; V365-L368 VanDerWaalsContact O-N 3.13Å; V365-R369 WeakPolarHBondContact O-CG 3.4Å; V365-R369 PolarHBondContact O-N 3.45Å
366	E	92.6	Very high	93.5	Very high	59 Å²	59	43.5 Å²	43.5	28%	0.276	22%	0.216	S	C	.	.	H	α-helix	trans	-64.5	-33.1	175.4	-160.6	57.2	-130.5	0	0	112.8	R239 G364 L368 R369 N370	R239-E366 IonicContact NH1-OE2 3.78Å; R239-E366 PolarHBondContact NH1-OE2 2.95Å; G364-E366 VanDerWaalsContact C-N 3.26Å; G364-E366 PolarHBondContact O-N 3.43Å; E366-L368 VanDerWaalsContact C-N 3.29Å; E366-L368 PolarHBondContact O-N 3.4Å; E366-R369 PolarHBondContact O-N 2.82Å; E366-R369 IonicContact OE1-NH1 3.01Å; E366-R369 PolarHBondContact OE1-NH1 3.4Å; E366-R369 IonicContact OE2-NH1 3.81Å; E366-N370 WeakPolarHBondContact O-CB 3.42Å; E366-N370 PolarHBondContact O-N 3.18Å; E366-N370 PolarHBondContact O-ND2 3.33Å
367	V	95.3	Very high	93	Very high	49 Å²	49	43.2 Å²	43.2	30%	0.297	23%	0.228	S	C	.	.	H	α-helix	trans	-64.9	-40.6	175.1	-178.4	0	0	0	0	109.7	M346 I355 G364 V365 H371	M346-V367 HydrophobicContact CB-CG1 3.7Å; I355-V367 HydrophobicContact CG2-CG1 4.48Å; G364-V367 WeakPolarHBondContact O-CB 3.34Å; G364-V367 PolarHBondContact O-N 3.46Å; G364-V367 VanDerWaalsContact O-N 3.1Å; V365-V367 VanDerWaalsContact C-N 3.27Å; V365-V367 PolarHBondContact O-N 2.98Å; V367-H371 VanDerWaalsContact O-CB 3.28Å; V367-H371 WeakPolarHBondContact O-CB 3.35Å; V367-H371 PolarHBondContact O-N 3.47Å
368	L	95.4	Very high	92.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-64.8	-43.7	173.6	178.3	65.1	0	0	0	112.1	L232 L236 L300 T331 V333 I355 L357 G364 V365 E366 N370 H371 L372	L232-L368 HydrophobicContact CD1-CD2 3.76Å; L232-L368 HydrophobicContact CD2-CD2 3.91Å; L232-L368 HydrophobicContact CG-CD2 4.31Å; L236-L368 HydrophobicContact CD1-CD2 4.38Å; L236-L368 HydrophobicContact CD2-CD2 4.13Å; L300-L368 HydrophobicContact CD1-CD1 4.24Å; L300-L368 HydrophobicContact CD1-CD2 4.14Å; L300-L368 HydrophobicContact CD2-CD1 3.78Å; T331-L368 HydrophobicContact CG2-CD1 4.5Å; V333-L368 HydrophobicContact CG2-CD1 4.33Å; I355-L368 HydrophobicContact CD1-CB 4.23Å; I355-L368 HydrophobicContact CD1-CD1 3.84Å; L357-L368 HydrophobicContact CD2-CB 4.2Å; L357-L368 HydrophobicContact CD2-CD2 4.06Å; G364-L368 PolarHBondContact O-N 3.32Å; V365-L368 WeakPolarHBondContact O-CB 3.45Å; V365-L368 PolarHBondContact O-N 2.95Å; V365-L368 VanDerWaalsContact O-N 3.13Å; E366-L368 VanDerWaalsContact C-N 3.29Å; E366-L368 PolarHBondContact O-N 3.4Å; L368-N370 PolarHBondContact O-N 3.01Å; L368-H371 PolarHBondContact O-N 3.39Å; L368-L372 HydrophobicContact CD1-CD1 4.36Å; L368-L372 HydrophobicContact CD1-CG 4.23Å; L368-L372 HydrophobicContact CG-CD1 4.21Å; L368-L372 HydrophobicContact CG-CG 4.49Å; L368-L372 VanDerWaalsContact O-CG 3.32Å; L368-L372 WeakPolarHBondContact O-CG 3.45Å; L368-L372 PolarHBondContact O-N 2.89Å
369	R	92.7	Very high	92.1	Very high	16 Å²	16	46.9 Å²	46.9	6%	0.06	25%	0.248	C	C	.	.	H	α-helix	trans	-57.8	-47.9	176.5	-69.4	175.4	91	-111.6	0.8	111.4	L236 I261 D262 V365 E366 L372 K373	L236-R369 HydrophobicContact CD2-CG 3.89Å; I261-R369 HydrophobicContact CD1-CG 4.34Å; I261-R369 HydrophobicContact CG2-CB 3.85Å; I261-R369 HydrophobicContact CG2-CG 4.21Å; D262-R369 IonicContact OD1-CZ 3.06Å; D262-R369 VanDerWaalsContact OD1-CZ 3.31Å; D262-R369 IonicContact OD1-NH1 3.96Å; D262-R369 PolarHBondContact OD1-NH1 2.92Å; D262-R369 IonicContact OD1-NH2 2.74Å; D262-R369 PolarHBondContact OD1-NH2 3.47Å; D262-R369 IonicContact OD2-NH1 3.27Å; V365-R369 WeakPolarHBondContact O-CG 3.4Å; V365-R369 PolarHBondContact O-N 3.45Å; E366-R369 PolarHBondContact O-N 2.82Å; E366-R369 IonicContact OE1-NH1 3.01Å; E366-R369 PolarHBondContact OE1-NH1 3.4Å; E366-R369 IonicContact OE2-NH1 3.81Å; R369-L372 PolarHBondContact O-N 2.98Å; R369-K373 WeakPolarHBondContact O-CG 3.42Å; R369-K373 PolarHBondContact O-N 3.5Å; R369-K373 VanDerWaalsContact O-N 3.1Å
370	N	92.8	Very high	91.1	Very high	61 Å²	61	49.1 Å²	49.1	33%	0.326	26%	0.26	S	S	.	.	H	α-helix	trans	-64.7	-41.4	177.7	-72.2	-31.6	0	0	0	112.6	E366 L368 L372 K373 Q374	E366-N370 WeakPolarHBondContact O-CB 3.42Å; E366-N370 PolarHBondContact O-N 3.18Å; E366-N370 PolarHBondContact O-ND2 3.33Å; L368-N370 PolarHBondContact O-N 3.01Å; N370-L372 VanDerWaalsContact C-N 3.35Å; N370-L372 PolarHBondContact O-N 2.96Å; N370-K373 PolarHBondContact O-N 2.89Å; N370-K373 WeakPolarHBondContact OD1-CE 3.32Å; N370-K373 PolarHBondContact OD1-NZ 3.16Å; N370-Q374 WeakPolarHBondContact O-CB 3.37Å; N370-Q374 VanDerWaalsContact O-CG 3.29Å; N370-Q374 WeakPolarHBondContact O-CG 3.41Å; N370-Q374 PolarHBondContact O-N 2.9Å
371	H	94.9	Very high	90.2	Very high	12 Å²	12	45.9 Å²	45.9	6%	0.056	26%	0.258	C	S	.	.	H	α-helix	trans	-61.1	-41.9	175.6	174.3	61.6	0	0	0	112.4	R298 T331 M346 A353 I355 V367 L368 S375	R298-H371 PolarHBondContact NH1-CE1 3.14Å; R298-H371 PolarHBondContact NH1-NE2 3.44Å; T331-H371 PolarHBondContact OG1-NE2 3.07Å; M346-H371 VanDerWaalsContact CE-ND1 3.27Å; M346-H371 WeakPolarHBondContact CE-ND1 3.32Å; M346-H371 HydrophobicContact SD-CB 4.23Å; A353-H371 VanDerWaalsContact CB-CE1 3.48Å; A353-H371 WeakPolarHBondContact CB-CE1 3.42Å; I355-H371 HydrophobicContact CD1-CB 3.85Å; V367-H371 VanDerWaalsContact O-CB 3.28Å; V367-H371 WeakPolarHBondContact O-CB 3.35Å; V367-H371 PolarHBondContact O-N 3.47Å; L368-H371 PolarHBondContact O-N 3.39Å; H371-S375 VanDerWaalsContact O-CB 3.24Å; H371-S375 WeakPolarHBondContact O-CB 3.48Å; H371-S375 PolarHBondContact O-N 2.93Å; H371-S375 PolarHBondContact O-OG 3.04Å
372	L	94	Very high	89	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.6	-45.7	176.3	-70.7	173.3	0	0	0	111.7	M217 V219 I261 L266 L300 L368 R369 N370 S375 M376	M217-L372 HydrophobicContact CE-CD2 3.84Å; M217-L372 HydrophobicContact SD-CB 4.32Å; M217-L372 HydrophobicContact SD-CD2 3.95Å; V219-L372 HydrophobicContact CG2-CD2 4.22Å; I261-L372 HydrophobicContact CD1-CB 4.2Å; I261-L372 HydrophobicContact CD1-CD1 3.63Å; L266-L372 HydrophobicContact CD2-CD1 3.99Å; L300-L372 HydrophobicContact CD1-CD1 4.46Å; L300-L372 HydrophobicContact CD2-CD2 4.14Å; L368-L372 HydrophobicContact CD1-CD1 4.36Å; L368-L372 HydrophobicContact CD1-CG 4.23Å; L368-L372 HydrophobicContact CG-CD1 4.21Å; L368-L372 HydrophobicContact CG-CG 4.49Å; L368-L372 VanDerWaalsContact O-CG 3.32Å; L368-L372 WeakPolarHBondContact O-CG 3.45Å; L368-L372 PolarHBondContact O-N 2.89Å; R369-L372 PolarHBondContact O-N 2.98Å; N370-L372 VanDerWaalsContact C-N 3.35Å; N370-L372 PolarHBondContact O-N 2.96Å; L372-S375 WeakPolarHBondContact O-CB 3.43Å; L372-S375 PolarHBondContact O-N 2.79Å; L372-M376 PolarHBondContact O-N 3.43Å
373	K	91.8	Very high	87.6	Confident	20 Å²	20	53.6 Å²	53.6	9%	0.087	29%	0.287	C	S	.	.	H	α-helix	trans	-59.6	-50.8	175.1	-69.5	-176.9	-65.8	-179.8	0	112	I261 D262 M264 R369 N370 S375 M376 G377 F378 T380	I261-K373 HydrophobicContact CG2-CD 3.9Å; I261-K373 HydrophobicContact CG2-CG 3.83Å; D262-K373 HydrophobicContact CB-CD 4.38Å; D262-K373 WeakPolarHBondContact OD2-CD 3.35Å; D262-K373 WeakPolarHBondContact OD2-CE 3.19Å; D262-K373 IonicContact OD2-NZ 3.55Å; D262-K373 PolarHBondContact OD2-NZ 3.06Å; M264-K373 HydrophobicContact CE-CG 4.39Å; R369-K373 WeakPolarHBondContact O-CG 3.42Å; R369-K373 PolarHBondContact O-N 3.5Å; R369-K373 VanDerWaalsContact O-N 3.1Å; N370-K373 PolarHBondContact O-N 2.89Å; N370-K373 WeakPolarHBondContact OD1-CE 3.32Å; N370-K373 PolarHBondContact OD1-NZ 3.16Å; K373-S375 VanDerWaalsContact C-N 3.27Å; K373-S375 PolarHBondContact O-N 3.44Å; K373-M376 PolarHBondContact O-N 2.89Å; K373-M376 VanDerWaalsContact O-N 3.1Å; K373-G377 PolarHBondContact O-N 3.36Å; K373-G377 VanDerWaalsContact O-N 3.09Å; K373-F378 HydrophobicContact CB-CB 4.27Å; K373-F378 HydrophobicContact CB-CD1 4.33Å; K373-F378 HydrophobicContact CD-CD1 3.97Å; K373-F378 HydrophobicContact CD-CE1 4.47Å; K373-F378 HydrophobicContact CG-CD1 3.93Å; K373-F378 PolarHBondContact O-N 3.37Å; K373-T380 HydrophobicContact CD-CG2 4.41Å
374	Q	91.6	Very high	86.2	Confident	144 Å²	144	51.8 Å²	51.8	67%	0.673	30%	0.295	S	S	*	.	H	α-helix	trans	-61.8	-36.4	179.6	-73.5	176	0.2	0	0	112.2	N370 M376 G377	N370-Q374 WeakPolarHBondContact O-CB 3.37Å; N370-Q374 VanDerWaalsContact O-CG 3.29Å; N370-Q374 WeakPolarHBondContact O-CG 3.41Å; N370-Q374 PolarHBondContact O-N 2.9Å; Q374-M376 PolarHBondContact O-N 3.48Å; Q374-G377 PolarHBondContact O-N 3.46Å
375	S	91.4	Very high	85.7	Confident	40 Å²	40	51.7 Å²	51.7	28%	0.28	29%	0.294	S	S	.	.	H	α-helix	trans	-61.8	-28.8	177	-67.9	0	0	0	0	113.2	R298 H371 L372 K373	R298-S375 PolarHBondContact NH1-OG 3.33Å; R298-S375 PolarHBondContact NH2-OG 2.92Å; H371-S375 VanDerWaalsContact O-CB 3.24Å; H371-S375 WeakPolarHBondContact O-CB 3.48Å; H371-S375 PolarHBondContact O-N 2.93Å; H371-S375 PolarHBondContact O-OG 3.04Å; L372-S375 WeakPolarHBondContact O-CB 3.43Å; L372-S375 PolarHBondContact O-N 2.79Å; K373-S375 VanDerWaalsContact C-N 3.27Å; K373-S375 PolarHBondContact O-N 3.44Å
376	M	90.1	Very high	85.7	Confident	49 Å²	49	51.9 Å²	51.9	24%	0.241	30%	0.295	C	S	.	.	H	α-helix	trans	-94.4	-7.4	175.4	-63.5	-59	-69.1	0	0	112.9	L212 M217 M264 D297 L372 K373 Q374 F378	L212-M376 HydrophobicContact CD1-CB 4.36Å; L212-M376 VanDerWaalsContact CD1-O 3.29Å; L212-M376 WeakPolarHBondContact CD1-O 3.43Å; L212-M376 HydrophobicContact CD2-CB 4.06Å; L212-M376 HydrophobicContact CD2-CE 3.63Å; M217-M376 HydrophobicContact CB-CE 4.1Å; M217-M376 HydrophobicContact CB-CG 3.84Å; M217-M376 HydrophobicContact CB-SD 3.99Å; M217-M376 HydrophobicContact CE-CG 4.27Å; M217-M376 HydrophobicContact CE-SD 4.12Å; M217-M376 HydrophobicContact CG-CE 4.28Å; M217-M376 HydrophobicContact CG-CG 3.78Å; M217-M376 HydrophobicContact CG-SD 3.62Å; M217-M376 HydrophobicContact SD-CG 3.48Å; M217-M376 WeakPolarHBondContact SD-CG 3.36Å; M217-M376 HydrophobicContact SD-SD 3.89Å; M264-M376 HydrophobicContact SD-CB 4.26Å; M264-M376 HydrophobicContact SD-CG 4.37Å; D297-M376 HydrophobicContact CB-SD 4.28Å; L372-M376 PolarHBondContact O-N 3.43Å; K373-M376 PolarHBondContact O-N 2.89Å; K373-M376 VanDerWaalsContact O-N 3.1Å; Q374-M376 PolarHBondContact O-N 3.48Å; M376-F378 VanDerWaalsContact C-N 3.29Å
377	G	88.5	Confident	85.7	Confident	44 Å²	44	49.2 Å²	49.2	45%	0.454	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	23.6	-171	0	0	0	0	0	113.4	Q209 K373 Q374	Q209-G377 PolarHBondContact NE2-O 3.4Å; K373-G377 PolarHBondContact O-N 3.36Å; K373-G377 VanDerWaalsContact O-N 3.09Å; Q374-G377 PolarHBondContact O-N 3.46Å
378	F	88.8	Confident	85.6	Confident	14 Å²	14	46.9 Å²	46.9	6%	0.061	27%	0.268	C	S	.	.			trans	-74.9	124	178.8	-175.3	-112.4	0	0	0	111.1	L212 L213 D262 M264 K373 M376 T380	L212-F378 HydrophobicContact CB-CD2 4.11Å; L212-F378 HydrophobicContact CD1-CB 4.08Å; L212-F378 HydrophobicContact CD1-CD2 4.29Å; L213-F378 HydrophobicContact CD2-CE2 3.56Å; L213-F378 HydrophobicContact CD2-CZ 3.62Å; L213-F378 HydrophobicContact CG-CE2 3.87Å; L213-F378 HydrophobicContact CG-CZ 4.41Å; D262-F378 WeakPolarHBondContact O-CE1 3.48Å; M264-F378 HydrophobicContact CB-CD1 3.95Å; M264-F378 HydrophobicContact CB-CD2 4.38Å; M264-F378 HydrophobicContact CB-CE1 3.83Å; M264-F378 HydrophobicContact CB-CE2 4.3Å; M264-F378 HydrophobicContact CB-CG 4.21Å; M264-F378 HydrophobicContact CB-CZ 4.02Å; M264-F378 HydrophobicContact CG-CD2 4.5Å; M264-F378 HydrophobicContact CG-CG 4.39Å; M264-F378 HydrophobicContact SD-CB 3.74Å; M264-F378 HydrophobicContact SD-CD1 4.23Å; M264-F378 HydrophobicContact SD-CD2 4.36Å; M264-F378 HydrophobicContact SD-CG 3.86Å; K373-F378 HydrophobicContact CB-CB 4.27Å; K373-F378 HydrophobicContact CB-CD1 4.33Å; K373-F378 HydrophobicContact CD-CD1 3.97Å; K373-F378 HydrophobicContact CD-CE1 4.47Å; K373-F378 HydrophobicContact CG-CD1 3.93Å; K373-F378 PolarHBondContact O-N 3.37Å; M376-F378 VanDerWaalsContact C-N 3.29Å; F378-T380 HydrophobicContact CD1-CG2 4.25Å; F378-T380 HydrophobicContact CE1-CG2 3.69Å; F378-T380 HydrophobicContact CZ-CG2 4.49Å
379	D	85.2	Confident	85.5	Confident	64 Å²	64	48.1 Å²	48.1	34%	0.342	27%	0.273	S	S	.	.			trans	-118	113.9	178.9	-172.3	-4.3	0	0	0	110.6	N381 M382	D379-N381 PolarHBondContact O-N 3.34Å; D379-N381 WeakPolarHBondContact OD1-CB 3.45Å; D379-N381 PolarHBondContact OD1-N 3.45Å; D379-N381 PolarHBondContact OD1-ND2 3Å; D379-M382 PolarHBondContact O-N 3.29Å
380	T	73.3	Confident	85.5	Confident	51 Å²	51	56.3 Å²	56.3	31%	0.313	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-18.2	-179.9	51.6	0	0	0	0	113.2	D262 K373 F378 M382	D262-T380 HydrophobicContact CB-CG2 3.82Å; K373-T380 HydrophobicContact CD-CG2 4.41Å; F378-T380 HydrophobicContact CD1-CG2 4.25Å; F378-T380 HydrophobicContact CE1-CG2 3.69Å; F378-T380 HydrophobicContact CZ-CG2 4.49Å; T380-M382 VanDerWaalsContact C-N 3.28Å; T380-M382 PolarHBondContact O-N 2.71Å
381	N	72.7	Confident	85.5	Confident	134 Å²	134	55.9 Å²	55.9	72%	0.717	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-12.8	-177.9	-61.5	-41.5	0	0	0	113.2	D379 E383	D379-N381 PolarHBondContact O-N 3.34Å; D379-N381 WeakPolarHBondContact OD1-CB 3.45Å; D379-N381 PolarHBondContact OD1-N 3.45Å; D379-N381 PolarHBondContact OD1-ND2 3Å; N381-E383 PolarHBondContact O-N 2.69Å
382	M	66.3	Low	85.6	Confident	77 Å²	77	55.4 Å²	55.4	38%	0.379	30%	0.296	S	S	.	.			trans	-78	68.3	170.9	-70.4	-156.3	177.6	0	0	110.1	A205 E206 Q209 D379 T380	A205-M382 HydrophobicContact CB-CE 4.28Å; E206-M382 HydrophobicContact CG-SD 4.46Å; Q209-M382 HydrophobicContact CG-CB 4.27Å; Q209-M382 HydrophobicContact CG-CG 4.35Å; Q209-M382 HydrophobicContact CG-SD 3.68Å; D379-M382 PolarHBondContact O-N 3.29Å; T380-M382 VanDerWaalsContact C-N 3.28Å; T380-M382 PolarHBondContact O-N 2.71Å
383	E	61.7	Low	85.7	Confident	174 Å²	174	57.4 Å²	57.4	81%	0.813	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	151.7	171.6	-69.9	-171.1	169.9	0	0	111.4	N381 G385	N381-E383 PolarHBondContact O-N 2.69Å; E383-G385 PolarHBondContact O-N 3Å
384	G	63.6	Low	86	Confident	63 Å²	63	61.7 Å²	61.7	65%	0.649	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.1	9.4	170.7	0	0	0	0	0	116	N146	N146-G384 PolarHBondContact ND2-O 3.06Å
385	G	82.8	Confident	86.2	Confident	14 Å²	14	55.1 Å²	55.1	14%	0.144	30%	0.296	C	S	.	.			trans	-69.4	175.6	179.5	0	0	0	0	0	115.1	S143 N146 E383	S143-G385 WeakPolarHBondContact CA-O 3.27Å; S143-G385 WeakPolarHBondContact CB-O 3.35Å; S143-G385 PolarHBondContact OG-O 3.11Å; S143-G385 VanDerWaalsContact OG-O 3.06Å; N146-G385 PolarHBondContact ND2-O 3.33Å; E383-G385 PolarHBondContact O-N 3Å
386	F	93.8	Very high	86.6	Confident	4 Å²	4	53.2 Å²	53.2	2%	0.018	28%	0.283	C	S	.	.			trans	-106.6	158.2	171.7	49.3	-97.7	0	0	0	110.2	S147 F152 R155 V203 E206 A207 G210	S147-F386 VanDerWaalsContact OG-CB 3.26Å; S147-F386 WeakPolarHBondContact OG-CB 3.49Å; F152-F386 HydrophobicContact CB-CB 3.77Å; F152-F386 HydrophobicContact CB-CD1 4.05Å; F152-F386 HydrophobicContact CB-CD2 3.68Å; F152-F386 HydrophobicContact CB-CE2 4.3Å; F152-F386 HydrophobicContact CB-CG 3.55Å; F152-F386 HydrophobicContact CD1-CD2 4.16Å; F152-F386 HydrophobicContact CD1-CE2 4.47Å; F152-F386 HydrophobicContact CD2-CD1 4.23Å; F152-F386 AromaticContact CD2-CD2 3.42Å; F152-F386 HydrophobicContact CD2-CD2 3.42Å; F152-F386 VanDerWaalsContact CD2-CD2 3.42Å; F152-F386 AromaticContact CD2-CE1 4Å; F152-F386 HydrophobicContact CD2-CE1 4Å; F152-F386 AromaticContact CD2-CE2 3.13Å; F152-F386 HydrophobicContact CD2-CE2 3.13Å; F152-F386 AromaticContact CD2-CG 3.98Å; F152-F386 HydrophobicContact CD2-CG 3.98Å; F152-F386 AromaticContact CD2-CZ 3.47Å; F152-F386 HydrophobicContact CD2-CZ 3.47Å; F152-F386 VanDerWaalsContact CD2-CZ 3.47Å; F152-F386 HydrophobicContact CE2-CD2 4.08Å; F152-F386 AromaticContact CE2-CE2 3.45Å; F152-F386 HydrophobicContact CE2-CE2 3.45Å; F152-F386 VanDerWaalsContact CE2-CE2 3.45Å; F152-F386 AromaticContact CE2-CZ 3.87Å; F152-F386 HydrophobicContact CE2-CZ 3.87Å; F152-F386 HydrophobicContact CG-CD1 4.47Å; F152-F386 AromaticContact CG-CD2 3.48Å; F152-F386 HydrophobicContact CG-CD2 3.48Å; F152-F386 VanDerWaalsContact CG-CD2 3.48Å; F152-F386 AromaticContact CG-CE2 3.73Å; F152-F386 HydrophobicContact CG-CE2 3.73Å; F152-F386 AromaticContact CG-CG 3.9Å; F152-F386 HydrophobicContact CG-CG 3.9Å; F152-F386 HydrophobicContact CG-CZ 4.34Å; F152-F386 HydrophobicContact CZ-CE2 4.25Å; R155-F386 HydrophobicContact CG-CE1 4.1Å; V203-F386 HydrophobicContact CG1-CZ 4.22Å; E206-F386 HydrophobicContact CB-CE1 4.15Å; E206-F386 HydrophobicContact CB-CZ 3.9Å; E206-F386 WeakPolarHBondContact OE2-CE1 3.44Å; A207-F386 HydrophobicContact CB-CE2 3.94Å; G210-F386 VanDerWaalsContact CA-O 3.28Å; G210-F386 WeakPolarHBondContact CA-O 3.32Å
387	L	93.5	Very high	87	Confident	4 Å²	4	54.1 Å²	54.1	2%	0.021	29%	0.287	C	S	.	.			trans	-78.6	148.6	168.2	-65.7	-177.2	0	0	0	110.8	D131 A144 S147 G210 L213 R214	D131-L387 HydrophobicContact CB-CD1 3.66Å; A144-L387 HydrophobicContact CB-CD1 3.65Å; A144-L387 HydrophobicContact CB-CG 4.39Å; S147-L387 PolarHBondContact OG-N 2.91Å; S147-L387 PolarHBondContact OG-O 2.77Å; G210-L387 VanDerWaalsContact O-CD2 3.27Å; G210-L387 WeakPolarHBondContact O-CD2 3.33Å; L213-L387 HydrophobicContact CB-CD2 3.72Å; L213-L387 HydrophobicContact CD1-CD2 4.44Å; R214-L387 HydrophobicContact CB-CD2 4.39Å
388	A	94	Very high	87.5	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.279	C	S	.	.			trans	-134.6	155.8	173.7	0	0	0	0	0	110.4	A207 S211 H392	A207-A388 HydrophobicContact CB-CB 3.82Å; A207-A388 WeakPolarHBondContact O-CB 3.27Å; S211-A388 WeakPolarHBondContact CA-O 3.38Å; A388-H392 WeakPolarHBondContact CA-ND1 3.44Å; A388-H392 HydrophobicContact CB-CB 4.25Å
389	R	93.3	Very high	87.9	Confident	25 Å²	25	54.3 Å²	54.3	9%	0.094	28%	0.276	C	S	.	.			trans	-111.7	163.6	178.4	-64.3	176.3	170.3	-146.3	-6.5	109.5	E127 D131 R391 H392 L393	E127-R389 PolarHBondContact O-NH2 3.24Å; E127-R389 VanDerWaalsContact OE1-CD 3.31Å; E127-R389 WeakPolarHBondContact OE1-CD 3.5Å; E127-R389 IonicContact OE1-CZ 3.8Å; E127-R389 IonicContact OE1-NE 2.75Å; E127-R389 IonicContact OE1-NH1 3.46Å; E127-R389 PolarHBondContact OE1-NH1 3.41Å; D131-R389 IonicContact OD1-CZ 2.88Å; D131-R389 IonicContact OD1-NE 3.12Å; D131-R389 PolarHBondContact OD1-NE 3.36Å; D131-R389 IonicContact OD1-NH2 3.58Å; D131-R389 PolarHBondContact OD1-NH2 3.43Å; D131-R389 IonicContact OD2-CZ 3.87Å; D131-R389 IonicContact OD2-NE 2.89Å; D131-R389 PolarHBondContact OD2-NE 2.92Å; D131-R389 IonicContact OD2-NH2 3.37Å; R389-R391 PolarHBondContact O-N 3.47Å; R389-R391 VanDerWaalsContact O-N 3.12Å; R389-H392 PolarHBondContact N-ND1 3.05Å; R389-H392 WeakPolarHBondContact O-CA 3.25Å; R389-H392 VanDerWaalsContact O-CB 3.32Å; R389-H392 WeakPolarHBondContact O-CB 3.33Å; R389-H392 PolarHBondContact O-N 3.5Å; R389-L393 PolarHBondContact O-N 2.85Å; R389-L393 VanDerWaalsContact O-N 3.1Å
390	R	92.2	Very high	88.6	Confident	189 Å²	189	51.7 Å²	51.7	71%	0.713	26%	0.263	S	S	*	.	H	α-helix	trans	-53	-36.1	176.5	-172	145.2	-178.6	144.5	-1	114.3	H392 L393 Q394	R390-H392 VanDerWaalsContact C-N 3.31Å; R390-H392 PolarHBondContact O-N 3.06Å; R390-L393 PolarHBondContact O-N 2.87Å; R390-Q394 WeakPolarHBondContact O-CB 3.48Å; R390-Q394 PolarHBondContact O-N 2.95Å
391	R	93	Very high	89.8	Confident	51 Å²	51	54 Å²	54	19%	0.192	27%	0.271	C	S	.	.	H	α-helix	trans	-63.3	-37.8	175.3	84.6	176.8	-173.8	83.9	2.7	112.2	E127 R389 Q394 A395 E432 I433	E127-R391 VanDerWaalsContact CD-NE 3.32Å; E127-R391 IonicContact OE1-CZ 3.54Å; E127-R391 IonicContact OE1-NE 2.7Å; E127-R391 PolarHBondContact OE1-NE 3.22Å; E127-R391 IonicContact OE1-NH2 3.54Å; E127-R391 IonicContact OE2-CZ 3.88Å; E127-R391 VanDerWaalsContact OE2-CZ 3.26Å; E127-R391 IonicContact OE2-NE 2.85Å; E127-R391 PolarHBondContact OE2-NE 3.47Å; E127-R391 IonicContact OE2-NH2 2.68Å; E127-R391 PolarHBondContact OE2-NH2 3.32Å; R389-R391 PolarHBondContact O-N 3.47Å; R389-R391 VanDerWaalsContact O-N 3.12Å; R391-Q394 PolarHBondContact O-N 2.89Å; R391-A395 WeakPolarHBondContact O-CB 3.35Å; R391-A395 PolarHBondContact O-N 3.36Å; R391-E432 PolarHBondContact NH1-O 3.42Å; R391-I433 PolarHBondContact NH2-O 3.46Å
392	H	96.6	Very high	91	Very high	3 Å²	3	49.4 Å²	49.4	1%	0.014	25%	0.245	C	C	.	.	H	α-helix	trans	-67.8	-44.6	178.1	-53.1	145.9	0	0	0	110.2	E127 F152 A388 R389 R390 Q394 A395 L396	E127-H392 IonicContact OE2-CD2 3.64Å; E127-H392 IonicContact OE2-CE1 3.2Å; E127-H392 PolarHBondContact OE2-CE1 2.68Å; E127-H392 IonicContact OE2-NE2 3.53Å; E127-H392 PolarHBondContact OE2-NE2 2.73Å; F152-H392 HydrophobicContact CE1-CB 3.92Å; F152-H392 AromaticContact CE1-CD2 3.99Å; F152-H392 AromaticContact CE1-CE1 3.97Å; F152-H392 AromaticContact CE1-CG 3.6Å; F152-H392 AromaticContact CE1-ND1 3.62Å; F152-H392 HydrophobicContact CZ-CB 3.9Å; A388-H392 WeakPolarHBondContact CA-ND1 3.44Å; A388-H392 HydrophobicContact CB-CB 4.25Å; R389-H392 PolarHBondContact N-ND1 3.05Å; R389-H392 WeakPolarHBondContact O-CA 3.25Å; R389-H392 VanDerWaalsContact O-CB 3.32Å; R389-H392 WeakPolarHBondContact O-CB 3.33Å; R389-H392 PolarHBondContact O-N 3.5Å; R390-H392 VanDerWaalsContact C-N 3.31Å; R390-H392 PolarHBondContact O-N 3.06Å; H392-Q394 VanDerWaalsContact C-N 3.3Å; H392-Q394 PolarHBondContact O-N 2.79Å; H392-A395 PolarHBondContact O-N 3.35Å; H392-L396 WeakPolarHBondContact O-CB 3.39Å; H392-L396 VanDerWaalsContact O-CG 3.24Å; H392-L396 WeakPolarHBondContact O-CG 3.39Å; H392-L396 PolarHBondContact O-N 3.5Å
393	L	96.2	Very high	92.6	Very high	42 Å²	42	45.8 Å²	45.8	22%	0.22	23%	0.227	C	C	.	.	H	α-helix	trans	-59.7	-41.6	175.2	-63.5	-176.6	0	0	0	111.9	A207 R208 R389 R390 L396 E397	A207-L393 HydrophobicContact CB-CD2 3.71Å; R208-L393 HydrophobicContact CG-CD2 4.02Å; R389-L393 PolarHBondContact O-N 2.85Å; R389-L393 VanDerWaalsContact O-N 3.1Å; R390-L393 PolarHBondContact O-N 2.87Å; L393-L396 PolarHBondContact O-N 3.4Å; L393-E397 WeakPolarHBondContact O-CB 3.43Å; L393-E397 PolarHBondContact O-N 3.21Å
394	Q	97.4	Very high	94.3	Very high	110 Å²	110	42 Å²	42	51%	0.514	21%	0.209	S	C	.	.	H	α-helix	trans	-63.8	-47.1	177.4	-177.6	179.2	-18.6	0	0	111.9	R390 R391 H392 L396 E397 Q398	R390-Q394 WeakPolarHBondContact O-CB 3.48Å; R390-Q394 PolarHBondContact O-N 2.95Å; R391-Q394 PolarHBondContact O-N 2.89Å; H392-Q394 VanDerWaalsContact C-N 3.3Å; H392-Q394 PolarHBondContact O-N 2.79Å; Q394-L396 VanDerWaalsContact C-N 3.34Å; Q394-L396 PolarHBondContact O-N 3.05Å; Q394-E397 PolarHBondContact O-N 3.38Å; Q394-Q398 HydrophobicContact CG-CG 4.45Å; Q394-Q398 WeakPolarHBondContact O-CB 3.19Å; Q394-Q398 WeakPolarHBondContact O-CG 3.47Å; Q394-Q398 PolarHBondContact O-N 3.44Å
395	A	97.1	Very high	95.8	Very high	5 Å²	5	43.2 Å²	43.2	4%	0.041	20%	0.198	C	C	.	.	H	α-helix	trans	-59.8	-43.3	176.9	0	0	0	0	0	112.1	R391 H392 Q398 A399 N429 I433	R391-A395 WeakPolarHBondContact O-CB 3.35Å; R391-A395 PolarHBondContact O-N 3.36Å; H392-A395 PolarHBondContact O-N 3.35Å; A395-Q398 PolarHBondContact O-N 2.95Å; A395-A399 WeakPolarHBondContact O-CB 3.36Å; A395-A399 PolarHBondContact O-N 3.39Å; A395-N429 WeakPolarHBondContact CB-O 3.33Å; A395-I433 HydrophobicContact CB-CD1 3.94Å; A395-I433 HydrophobicContact CB-CG1 3.65Å
396	L	98.6	Very high	96.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.5	-37.7	175.5	-66.8	168	0	0	0	112.3	L200 V203 R204 A207 H392 L393 Q394 A400 L430 I433	L200-L396 HydrophobicContact CD1-CB 4.39Å; L200-L396 HydrophobicContact CD1-CD2 3.61Å; V203-L396 HydrophobicContact CG1-CD1 4.28Å; V203-L396 HydrophobicContact CG1-CD2 3.96Å; R204-L396 HydrophobicContact CG-CB 3.73Å; R204-L396 HydrophobicContact CG-CD1 4.37Å; A207-L396 HydrophobicContact CB-CD1 3.66Å; H392-L396 WeakPolarHBondContact O-CB 3.39Å; H392-L396 VanDerWaalsContact O-CG 3.24Å; H392-L396 WeakPolarHBondContact O-CG 3.39Å; H392-L396 PolarHBondContact O-N 3.5Å; L393-L396 PolarHBondContact O-N 3.4Å; Q394-L396 VanDerWaalsContact C-N 3.34Å; Q394-L396 PolarHBondContact O-N 3.05Å; L396-A400 WeakPolarHBondContact O-CB 3.32Å; L396-A400 PolarHBondContact O-N 3.34Å; L396-L430 HydrophobicContact CD2-CD2 3.74Å; L396-I433 HydrophobicContact CD2-CD1 3.91Å; L396-I433 HydrophobicContact CG-CD1 3.92Å
397	E	98.5	Very high	96.4	Very high	69 Å²	69	44.9 Å²	44.9	32%	0.322	20%	0.201	S	C	.	.	H	α-helix	trans	-66.4	-47	176.4	-166	69.5	-143	0	0	111.3	R204 R208 L393 Q394 A399 A400 E401	R204-E397 IonicContact CZ-OE1 3.53Å; R204-E397 IonicContact CZ-OE2 3.5Å; R204-E397 IonicContact NE-OE2 3.59Å; R204-E397 IonicContact NH2-OE1 2.74Å; R204-E397 PolarHBondContact NH2-OE1 2.62Å; R204-E397 IonicContact NH2-OE2 2.84Å; R204-E397 PolarHBondContact NH2-OE2 3.1Å; R208-E397 IonicContact NH2-OE2 2.96Å; R208-E397 PolarHBondContact NH2-OE2 3.06Å; L393-E397 WeakPolarHBondContact O-CB 3.43Å; L393-E397 PolarHBondContact O-N 3.21Å; Q394-E397 PolarHBondContact O-N 3.38Å; E397-A399 PolarHBondContact O-N 2.93Å; E397-A400 WeakPolarHBondContact O-CB 3.48Å; E397-A400 PolarHBondContact O-N 2.93Å; E397-A400 VanDerWaalsContact O-N 3.11Å; E397-E401 WeakPolarHBondContact O-CG 3.48Å; E397-E401 PolarHBondContact O-N 3.01Å
398	Q	98.5	Very high	96.4	Very high	61 Å²	61	47.6 Å²	47.6	29%	0.285	22%	0.224	S	C	.	.	H	α-helix	trans	-62.6	-42.6	177.7	-72.2	173	-36	0	0	111.3	Q394 A395 A400 E401 H402 N429	Q394-Q398 HydrophobicContact CG-CG 4.45Å; Q394-Q398 WeakPolarHBondContact O-CB 3.19Å; Q394-Q398 WeakPolarHBondContact O-CG 3.47Å; Q394-Q398 PolarHBondContact O-N 3.44Å; A395-Q398 PolarHBondContact O-N 2.95Å; Q398-A400 VanDerWaalsContact C-N 3.31Å; Q398-A400 PolarHBondContact O-N 2.85Å; Q398-E401 PolarHBondContact O-N 3.17Å; Q398-H402 PolarHBondContact O-CD2 3.46Å; Q398-H402 PolarHBondContact O-N 2.99Å; Q398-N429 HydrophobicContact CB-CB 4.39Å; Q398-N429 WeakPolarHBondContact CB-OD1 3.5Å; Q398-N429 PolarHBondContact OE1-OD1 3.39Å; Q398-N429 VanDerWaalsContact OE1-OD1 3.06Å
399	A	98.6	Very high	96.2	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58.9	-43.1	172.4	0	0	0	0	0	111.6	L200 A395 E397 H402 L403 A426 N429 L430	L200-A399 HydrophobicContact CD2-CB 4.19Å; A395-A399 WeakPolarHBondContact O-CB 3.36Å; A395-A399 PolarHBondContact O-N 3.39Å; E397-A399 PolarHBondContact O-N 2.93Å; A399-H402 PolarHBondContact O-N 2.94Å; A399-L403 WeakPolarHBondContact O-CG 3.26Å; A399-L403 PolarHBondContact O-N 3.45Å; A399-A426 HydrophobicContact CB-CB 4.34Å; A399-N429 HydrophobicContact CB-CB 4.26Å; A399-L430 HydrophobicContact CB-CD2 3.72Å; A399-L430 HydrophobicContact CB-CG 3.8Å
400	A	98.7	Very high	96	Very high	9 Å²	9	49.7 Å²	49.7	7%	0.074	24%	0.235	C	C	.	.	H	α-helix	trans	-64.4	-42.1	177.8	0	0	0	0	0	112.1	L200 L396 E397 Q398 H402 L403 Q404	L200-A400 HydrophobicContact CD2-CB 3.69Å; L200-A400 HydrophobicContact CG-CB 4.48Å; L396-A400 WeakPolarHBondContact O-CB 3.32Å; L396-A400 PolarHBondContact O-N 3.34Å; E397-A400 WeakPolarHBondContact O-CB 3.48Å; E397-A400 PolarHBondContact O-N 2.93Å; E397-A400 VanDerWaalsContact O-N 3.11Å; Q398-A400 VanDerWaalsContact C-N 3.31Å; Q398-A400 PolarHBondContact O-N 2.85Å; A400-H402 PolarHBondContact O-N 2.96Å; A400-L403 PolarHBondContact O-N 2.88Å; A400-Q404 WeakPolarHBondContact O-CG 3.36Å; A400-Q404 PolarHBondContact O-N 3.37Å
401	E	98.7	Very high	95.7	Very high	101 Å²	101	44.5 Å²	44.5	47%	0.472	22%	0.221	S	C	.	.	H	α-helix	trans	-58.3	-46.3	175	-73.1	176.7	-174.1	0	0	111.4	E397 Q398 Q404 Q405	E397-E401 WeakPolarHBondContact O-CG 3.48Å; E397-E401 PolarHBondContact O-N 3.01Å; Q398-E401 PolarHBondContact O-N 3.17Å; E401-Q404 PolarHBondContact O-N 3.35Å; E401-Q405 VanDerWaalsContact O-CG 3.31Å; E401-Q405 WeakPolarHBondContact O-CG 3.38Å; E401-Q405 PolarHBondContact O-N 3.14Å
402	H	98.6	Very high	95.2	Very high	37 Å²	37	45.2 Å²	45.2	17%	0.171	24%	0.244	C	C	.	.	H	α-helix	trans	-62.1	-43.5	176.2	-76.1	-58.3	0	0	0	112.3	Q398 A399 A400 Q404 Q405 G406 E422 A426 N429	Q398-H402 PolarHBondContact O-CD2 3.46Å; Q398-H402 PolarHBondContact O-N 2.99Å; A399-H402 PolarHBondContact O-N 2.94Å; A400-H402 PolarHBondContact O-N 2.96Å; H402-Q404 VanDerWaalsContact C-N 3.34Å; H402-Q404 PolarHBondContact O-N 3.5Å; H402-Q405 PolarHBondContact O-N 3.02Å; H402-G406 PolarHBondContact O-N 3.3Å; H402-E422 WeakPolarHBondContact CA-OE2 3.45Å; H402-E422 IonicContact CE1-OE2 3.64Å; H402-E422 IonicContact CG-OE2 3.32Å; H402-E422 IonicContact ND1-OE2 2.69Å; H402-E422 PolarHBondContact ND1-OE2 3.44Å; H402-A426 HydrophobicContact CB-CB 3.96Å; H402-N429 PolarHBondContact CD2-ND2 3Å
403	L	98.4	Very high	94.2	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-65	-36.8	177.3	-64.8	179.3	0	0	0	112.9	L163 L193 V196 I197 L200 A399 A400 G406 K407 L423 A426	L163-L403 HydrophobicContact CD2-CD2 3.57Å; L193-L403 HydrophobicContact CD1-CB 4.45Å; L193-L403 HydrophobicContact CD1-CD2 4Å; V196-L403 HydrophobicContact CG1-CD1 3.89Å; I197-L403 HydrophobicContact CD1-CB 4.22Å; I197-L403 HydrophobicContact CG1-CB 3.79Å; I197-L403 HydrophobicContact CG1-CD1 4.08Å; L200-L403 HydrophobicContact CD2-CD1 3.69Å; A399-L403 WeakPolarHBondContact O-CG 3.26Å; A399-L403 PolarHBondContact O-N 3.45Å; A400-L403 PolarHBondContact O-N 2.88Å; L403-G406 PolarHBondContact O-N 2.98Å; L403-K407 WeakPolarHBondContact O-CB 3.22Å; L403-K407 PolarHBondContact O-N 2.97Å; L403-L423 HydrophobicContact CD2-CD2 3.7Å; L403-A426 HydrophobicContact CD2-CB 3.81Å; L403-A426 HydrophobicContact CG-CB 4.02Å
404	Q	97.7	Very high	93.3	Very high	93 Å²	93	51.6 Å²	51.6	44%	0.435	28%	0.279	S	S	.	.	H	α-helix	trans	-68.1	-39.1	174.4	-67.5	-60.2	-30.1	0	0	111.8	A400 E401 H402 K407 A408	A400-Q404 WeakPolarHBondContact O-CG 3.36Å; A400-Q404 PolarHBondContact O-N 3.37Å; E401-Q404 PolarHBondContact O-N 3.35Å; H402-Q404 VanDerWaalsContact C-N 3.34Å; H402-Q404 PolarHBondContact O-N 3.5Å; Q404-K407 PolarHBondContact O-N 3.48Å; Q404-A408 PolarHBondContact O-N 2.94Å
405	Q	96.4	Very high	92.5	Very high	90 Å²	90	47.5 Å²	47.5	42%	0.421	26%	0.264	S	S	.	.	H	α-helix	trans	-62.8	-48.8	173.2	-72.2	176.5	47.8	0	0	110.7	E401 H402 K407 A408 Q409 E422	E401-Q405 VanDerWaalsContact O-CG 3.31Å; E401-Q405 WeakPolarHBondContact O-CG 3.38Å; E401-Q405 PolarHBondContact O-N 3.14Å; H402-Q405 PolarHBondContact O-N 3.02Å; Q405-K407 VanDerWaalsContact C-N 3.31Å; Q405-K407 PolarHBondContact O-N 2.7Å; Q405-A408 WeakPolarHBondContact O-CB 3.5Å; Q405-A408 PolarHBondContact O-N 3.08Å; Q405-A408 VanDerWaalsContact O-N 3.09Å; Q405-Q409 WeakPolarHBondContact O-CG 3.22Å; Q405-Q409 PolarHBondContact O-N 3.31Å; Q405-E422 HydrophobicContact CB-CG 4.24Å
406	G	94.9	Very high	91.9	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-56.5	-43.3	175.8	0	0	0	0	0	112.5	H402 L403 A408 Q409 L410	H402-G406 PolarHBondContact O-N 3.3Å; L403-G406 PolarHBondContact O-N 2.98Å; G406-A408 PolarHBondContact O-N 3.34Å; G406-Q409 PolarHBondContact O-N 2.9Å; G406-L410 PolarHBondContact O-N 3.36Å
407	K	94.4	Very high	91.5	Very high	51 Å²	51	54.6 Å²	54.6	22%	0.222	30%	0.298	C	S	.	.	H	α-helix	trans	-61.3	-43.4	175.1	-174.2	175.1	175	173.1	0	112.4	L193 N194 I197 L403 Q404 Q405 Q409 L410 L411	L193-K407 HydrophobicContact CD2-CB 3.68Å; L193-K407 HydrophobicContact CD2-CG 4.15Å; L193-K407 HydrophobicContact CG-CB 4.46Å; N194-K407 VanDerWaalsContact OD1-CE 3.22Å; N194-K407 WeakPolarHBondContact OD1-CE 3.31Å; N194-K407 PolarHBondContact OD1-NZ 3.46Å; I197-K407 HydrophobicContact CD1-CB 4.42Å; I197-K407 HydrophobicContact CD1-CD 3.98Å; L403-K407 WeakPolarHBondContact O-CB 3.22Å; L403-K407 PolarHBondContact O-N 2.97Å; Q404-K407 PolarHBondContact O-N 3.48Å; Q405-K407 VanDerWaalsContact C-N 3.31Å; Q405-K407 PolarHBondContact O-N 2.7Å; K407-Q409 VanDerWaalsContact C-N 3.31Å; K407-Q409 PolarHBondContact O-N 3.3Å; K407-L410 PolarHBondContact O-N 3.16Å; K407-L411 HydrophobicContact CG-CD1 4.01Å; K407-L411 HydrophobicContact CG-CG 4.49Å; K407-L411 WeakPolarHBondContact O-CG 3.49Å; K407-L411 PolarHBondContact O-N 3.21Å
408	A	93.3	Very high	91.1	Very high	61 Å²	61	55.4 Å²	55.4	50%	0.504	30%	0.304	S	S	.	.	H	α-helix	trans	-63.5	-37.5	176.6	0	0	0	0	0	112	Q404 Q405 G406 G412	Q404-A408 PolarHBondContact O-N 2.94Å; Q405-A408 WeakPolarHBondContact O-CB 3.5Å; Q405-A408 PolarHBondContact O-N 3.08Å; Q405-A408 VanDerWaalsContact O-N 3.09Å; G406-A408 PolarHBondContact O-N 3.34Å; A408-G412 WeakPolarHBondContact O-CA 3.38Å; A408-G412 PolarHBondContact O-N 3.01Å
409	Q	89.3	Confident	90.8	Very high	69 Å²	69	52.5 Å²	52.5	32%	0.322	29%	0.291	S	S	.	.	H	α-helix	trans	-68.2	-40.7	176.7	-63.1	-59.4	-14.2	0	0	112.6	Q405 G406 K407 A413 W414 A415 L418	Q405-Q409 WeakPolarHBondContact O-CG 3.22Å; Q405-Q409 PolarHBondContact O-N 3.31Å; G406-Q409 PolarHBondContact O-N 2.9Å; K407-Q409 VanDerWaalsContact C-N 3.31Å; K407-Q409 PolarHBondContact O-N 3.3Å; Q409-A413 PolarHBondContact O-N 3Å; Q409-A413 VanDerWaalsContact O-N 3.1Å; Q409-W414 PolarHBondContact O-N 3.17Å; Q409-A415 PolarHBondContact O-N 2.81Å; Q409-L418 HydrophobicContact CB-CB 4.08Å; Q409-L418 HydrophobicContact CG-CB 3.93Å; Q409-L418 HydrophobicContact CG-CD1 4.17Å
410	L	88.1	Confident	90.5	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-60.9	-51.7	174.9	-178.7	62.9	0	0	0	111.1	I189 E190 L193 G406 K407 W414 L419	I189-L410 HydrophobicContact CG2-CD1 4.33Å; I189-L410 HydrophobicContact CG2-CD2 3.86Å; E190-L410 HydrophobicContact CB-CD2 4.06Å; E190-L410 HydrophobicContact CG-CD2 4.47Å; L193-L410 HydrophobicContact CD2-CD2 4.29Å; G406-L410 PolarHBondContact O-N 3.36Å; K407-L410 PolarHBondContact O-N 3.16Å; L410-W414 HydrophobicContact CD1-CE3 4.16Å; L410-W414 HydrophobicContact CD1-CZ3 4.49Å; L410-W414 VanDerWaalsContact O-CA 3.27Å; L410-W414 WeakPolarHBondContact O-CA 3.39Å; L410-W414 PolarHBondContact O-N 3.48Å; L410-W414 VanDerWaalsContact O-N 3.11Å; L410-L419 HydrophobicContact CB-CD2 4.3Å; L410-L419 HydrophobicContact CD1-CD2 4.08Å; L410-L419 HydrophobicContact CD2-CD2 4.2Å; L410-L419 HydrophobicContact CG-CD2 4.43Å
411	L	86.6	Confident	90.4	Very high	81 Å²	81	56.5 Å²	56.5	42%	0.424	31%	0.31	S	S	.	.	H	α-helix	trans	-75	-30.5	-175.5	-66.3	178.1	0	0	0	114	E190 K407	E190-L411 HydrophobicContact CG-CD2 4.24Å; K407-L411 HydrophobicContact CG-CD1 4.01Å; K407-L411 HydrophobicContact CG-CG 4.49Å; K407-L411 WeakPolarHBondContact O-CG 3.49Å; K407-L411 PolarHBondContact O-N 3.21Å
412	G	82.3	Confident	90.3	Very high	65 Å²	65	53 Å²	53	67%	0.67	29%	0.294	S	S	*	.	H	α-helix	trans	-84.6	-48.1	-175.8	0	0	0	0	0	113.3	A408	A408-G412 WeakPolarHBondContact O-CA 3.38Å; A408-G412 PolarHBondContact O-N 3.01Å
413	A	76.9	Confident	90.2	Very high	65 Å²	65	51.3 Å²	51.3	54%	0.537	29%	0.286	S	S	.	.	H	α-helix	trans	-125.1	-2.1	-169.4	0	0	0	0	0	113.8	Q409 A415	Q409-A413 PolarHBondContact O-N 3Å; Q409-A413 VanDerWaalsContact O-N 3.1Å; A413-A415 HydrophobicContact CB-CB 4.08Å; A413-A415 PolarHBondContact O-N 3.21Å; A413-A415 VanDerWaalsContact O-N 3.17Å
414	W	75.3	Confident	90.1	Very high	114 Å²	114	55.6 Å²	55.6	43%	0.432	30%	0.302	S	S	.	.			trans	50.3	35.2	-169.7	-55.7	92.5	0	0	0	111.8	L184 Q409 L410 G416	L184-W414 HydrophobicContact CB-CE3 4.28Å; L184-W414 WeakPolarHBondContact CD1-O 3.4Å; L184-W414 WeakPolarHBondContact O-CZ3 3.36Å; Q409-W414 PolarHBondContact O-N 3.17Å; L410-W414 HydrophobicContact CD1-CE3 4.16Å; L410-W414 HydrophobicContact CD1-CZ3 4.49Å; L410-W414 VanDerWaalsContact O-CA 3.27Å; L410-W414 WeakPolarHBondContact O-CA 3.39Å; L410-W414 PolarHBondContact O-N 3.48Å; L410-W414 VanDerWaalsContact O-N 3.11Å; W414-G416 PolarHBondContact O-N 3.4Å
415	A	81.1	Confident	90	Very high	24 Å²	24	53 Å²	53	20%	0.198	29%	0.291	C	S	.	.			trans	-82.7	82.2	-173.3	0	0	0	0	0	110.3	Q409 A413 E417 L418 L419	Q409-A415 PolarHBondContact O-N 2.81Å; A413-A415 HydrophobicContact CB-CB 4.08Å; A413-A415 PolarHBondContact O-N 3.21Å; A413-A415 VanDerWaalsContact O-N 3.17Å; A415-E417 VanDerWaalsContact C-N 3.28Å; A415-E417 PolarHBondContact O-N 3.38Å; A415-L418 HydrophobicContact CB-CB 4.05Å; A415-L418 HydrophobicContact CB-CD1 3.83Å; A415-L418 HydrophobicContact CB-CG 4.01Å; A415-L418 PolarHBondContact O-N 2.91Å; A415-L418 VanDerWaalsContact O-N 3.13Å; A415-L419 PolarHBondContact O-N 3.49Å
416	G	85.6	Confident	90.1	Very high	5 Å²	5	48.8 Å²	48.8	5%	0.052	27%	0.271	C	S	.	.	H	α-helix	trans	-52.5	-43.3	180	0	0	0	0	0	113.1	V170 I174 W414 L418 L419 A420	V170-G416 WeakPolarHBondContact CG1-O 3.4Å; I174-G416 VanDerWaalsContact CD1-C 3.46Å; W414-G416 PolarHBondContact O-N 3.4Å; G416-L418 PolarHBondContact O-N 3.4Å; G416-L419 PolarHBondContact O-N 3.16Å; G416-A420 WeakPolarHBondContact O-CB 3.4Å; G416-A420 PolarHBondContact O-N 3.09Å
417	E	88.5	Confident	90.2	Very high	150 Å²	150	50.1 Å²	50.1	70%	0.701	28%	0.277	S	S	*	.	H	α-helix	trans	-60.7	-41.5	178.6	-65.4	-179.6	-170.6	0	0	112.9	I174 A415 A420 E421	I174-E417 HydrophobicContact CD1-CG 4.34Å; I174-E417 HydrophobicContact CG2-CG 4.24Å; A415-E417 VanDerWaalsContact C-N 3.28Å; A415-E417 PolarHBondContact O-N 3.38Å; E417-A420 PolarHBondContact O-N 2.75Å; E417-E421 PolarHBondContact O-N 2.91Å; E417-E421 VanDerWaalsContact O-N 3.12Å
418	L	91	Very high	90.2	Very high	86 Å²	86	51.1 Å²	51.1	45%	0.45	28%	0.283	S	S	.	.	H	α-helix	trans	-69.9	-40.9	177.8	-64.3	-179.4	0	0	0	110.8	Q409 A415 G416 A420 E421 E422	Q409-L418 HydrophobicContact CB-CB 4.08Å; Q409-L418 HydrophobicContact CG-CB 3.93Å; Q409-L418 HydrophobicContact CG-CD1 4.17Å; A415-L418 HydrophobicContact CB-CB 4.05Å; A415-L418 HydrophobicContact CB-CD1 3.83Å; A415-L418 HydrophobicContact CB-CG 4.01Å; A415-L418 PolarHBondContact O-N 2.91Å; A415-L418 VanDerWaalsContact O-N 3.13Å; G416-L418 PolarHBondContact O-N 3.4Å; L418-A420 VanDerWaalsContact C-N 3.33Å; L418-A420 PolarHBondContact O-N 2.68Å; L418-E421 PolarHBondContact O-N 3.4Å; L418-E422 VanDerWaalsContact O-CG 3.32Å; L418-E422 WeakPolarHBondContact O-CG 3.31Å; L418-E422 PolarHBondContact O-N 3.38Å
419	L	92.9	Very high	90.4	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-58.8	-45.7	172.8	174.3	62.8	0	0	0	111	V170 I189 L193 L410 A415 G416 E421 E422 L423	V170-L419 HydrophobicContact CG1-CD2 4.27Å; V170-L419 HydrophobicContact CG1-CG 4.38Å; V170-L419 HydrophobicContact CG2-CD2 3.61Å; V170-L419 HydrophobicContact CG2-CG 4.18Å; I189-L419 HydrophobicContact CG2-CD2 3.65Å; L193-L419 HydrophobicContact CD2-CD1 4.02Å; L410-L419 HydrophobicContact CB-CD2 4.3Å; L410-L419 HydrophobicContact CD1-CD2 4.08Å; L410-L419 HydrophobicContact CD2-CD2 4.2Å; L410-L419 HydrophobicContact CG-CD2 4.43Å; A415-L419 PolarHBondContact O-N 3.49Å; G416-L419 PolarHBondContact O-N 3.16Å; L419-E421 VanDerWaalsContact C-N 3.31Å; L419-E421 PolarHBondContact O-N 3Å; L419-E422 PolarHBondContact O-N 2.94Å; L419-L423 HydrophobicContact CD1-CD1 4.08Å; L419-L423 HydrophobicContact CD1-CD2 4.32Å; L419-L423 HydrophobicContact CD1-CG 3.94Å; L419-L423 HydrophobicContact CG-CD1 3.95Å; L419-L423 HydrophobicContact CG-CG 4.27Å; L419-L423 WeakPolarHBondContact O-CB 3.36Å; L419-L423 WeakPolarHBondContact O-CG 3.48Å; L419-L423 PolarHBondContact O-N 3.34Å
420	A	92.3	Very high	90.8	Very high	14 Å²	14	45.8 Å²	45.8	12%	0.116	25%	0.248	C	C	.	.	H	α-helix	trans	-58.8	-42	179.4	0	0	0	0	0	112.3	V170 I174 G416 E417 L418 R424	V170-A420 HydrophobicContact CG1-CB 3.95Å; I174-A420 HydrophobicContact CD1-CB 4.1Å; G416-A420 WeakPolarHBondContact O-CB 3.4Å; G416-A420 PolarHBondContact O-N 3.09Å; E417-A420 PolarHBondContact O-N 2.75Å; L418-A420 VanDerWaalsContact C-N 3.33Å; L418-A420 PolarHBondContact O-N 2.68Å; A420-R424 WeakPolarHBondContact O-CB 3.23Å; A420-R424 PolarHBondContact O-N 3.43Å
421	E	95.3	Very high	91.1	Very high	78 Å²	78	45.8 Å²	45.8	36%	0.364	25%	0.248	S	C	.	.	H	α-helix	trans	-66.8	-44.7	176.2	178.1	58.8	-170.9	0	0	112.2	E417 L418 L419 L423 R424 L425	E417-E421 PolarHBondContact O-N 2.91Å; E417-E421 VanDerWaalsContact O-N 3.12Å; L418-E421 PolarHBondContact O-N 3.4Å; L419-E421 VanDerWaalsContact C-N 3.31Å; L419-E421 PolarHBondContact O-N 3Å; E421-L423 VanDerWaalsContact C-N 3.32Å; E421-L423 PolarHBondContact O-N 2.79Å; E421-R424 WeakPolarHBondContact O-CB 3.48Å; E421-R424 PolarHBondContact O-N 3.44Å; E421-R424 VanDerWaalsContact O-N 3.14Å; E421-R424 IonicContact OE1-CZ 2.86Å; E421-R424 IonicContact OE1-NE 3.6Å; E421-R424 IonicContact OE1-NH2 3.67Å; E421-R424 PolarHBondContact OE1-NH2 3.34Å; E421-R424 IonicContact OE2-CZ 3.55Å; E421-R424 IonicContact OE2-NE 3.2Å; E421-R424 PolarHBondContact OE2-NE 2.91Å; E421-R424 IonicContact OE2-NH2 2.73Å; E421-R424 PolarHBondContact OE2-NH2 3.26Å; E421-L425 HydrophobicContact CG-CD1 4.22Å; E421-L425 WeakPolarHBondContact O-CG 3.36Å; E421-L425 PolarHBondContact O-N 3.49Å
422	E	97	Very high	91.4	Very high	28 Å²	28	44.7 Å²	44.7	13%	0.131	24%	0.241	C	C	.	.	H	α-helix	trans	-61.5	-40	176.5	-68.7	-60.2	155.9	0	0	111.9	H402 Q405 L418 L419 R424 L425 A426	H402-E422 WeakPolarHBondContact CA-OE2 3.45Å; H402-E422 IonicContact CE1-OE2 3.64Å; H402-E422 IonicContact CG-OE2 3.32Å; H402-E422 IonicContact ND1-OE2 2.69Å; H402-E422 PolarHBondContact ND1-OE2 3.44Å; Q405-E422 HydrophobicContact CB-CG 4.24Å; L418-E422 VanDerWaalsContact O-CG 3.32Å; L418-E422 WeakPolarHBondContact O-CG 3.31Å; L418-E422 PolarHBondContact O-N 3.38Å; L419-E422 PolarHBondContact O-N 2.94Å; E422-R424 VanDerWaalsContact C-N 3.35Å; E422-R424 PolarHBondContact O-N 2.99Å; E422-L425 PolarHBondContact O-N 3.12Å; E422-A426 WeakPolarHBondContact O-CB 3.43Å; E422-A426 PolarHBondContact O-N 2.81Å
423	L	97	Very high	92	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-64.2	-39.6	174.3	-67.2	173.1	0	0	0	111.9	L163 L166 R167 V170 L193 L403 L419 E421 A426 Q427	L163-L423 HydrophobicContact CD2-CD2 3.72Å; L166-L423 HydrophobicContact CD2-CD1 4.08Å; L166-L423 HydrophobicContact CD2-CD2 3.68Å; L166-L423 HydrophobicContact CG-CD1 3.8Å; L166-L423 HydrophobicContact CG-CD2 4.29Å; R167-L423 HydrophobicContact CG-CB 3.44Å; R167-L423 VanDerWaalsContact CG-CB 3.44Å; R167-L423 HydrophobicContact CG-CD1 3.8Å; R167-L423 HydrophobicContact CG-CG 4.26Å; V170-L423 HydrophobicContact CG2-CD1 4.03Å; L193-L423 HydrophobicContact CD1-CD2 4.2Å; L403-L423 HydrophobicContact CD2-CD2 3.7Å; L419-L423 HydrophobicContact CD1-CD1 4.08Å; L419-L423 HydrophobicContact CD1-CD2 4.32Å; L419-L423 HydrophobicContact CD1-CG 3.94Å; L419-L423 HydrophobicContact CG-CD1 3.95Å; L419-L423 HydrophobicContact CG-CG 4.27Å; L419-L423 WeakPolarHBondContact O-CB 3.36Å; L419-L423 WeakPolarHBondContact O-CG 3.48Å; L419-L423 PolarHBondContact O-N 3.34Å; E421-L423 VanDerWaalsContact C-N 3.32Å; E421-L423 PolarHBondContact O-N 2.79Å; L423-A426 PolarHBondContact O-N 2.95Å; L423-Q427 WeakPolarHBondContact O-CB 3.44Å; L423-Q427 PolarHBondContact O-N 3.34Å
424	R	95.6	Very high	92.8	Very high	92 Å²	92	39.1 Å²	39.1	35%	0.347	19%	0.187	S	C	.	.	H	α-helix	trans	-62.4	-43.7	175.8	-170.7	-168.9	70.4	72.1	0.8	111	A420 E421 E422 Q427 Q428	A420-R424 WeakPolarHBondContact O-CB 3.23Å; A420-R424 PolarHBondContact O-N 3.43Å; E421-R424 WeakPolarHBondContact O-CB 3.48Å; E421-R424 PolarHBondContact O-N 3.44Å; E421-R424 VanDerWaalsContact O-N 3.14Å; E421-R424 IonicContact OE1-CZ 2.86Å; E421-R424 IonicContact OE1-NE 3.6Å; E421-R424 IonicContact OE1-NH2 3.67Å; E421-R424 PolarHBondContact OE1-NH2 3.34Å; E421-R424 IonicContact OE2-CZ 3.55Å; E421-R424 IonicContact OE2-NE 3.2Å; E421-R424 PolarHBondContact OE2-NE 2.91Å; E421-R424 IonicContact OE2-NH2 2.73Å; E421-R424 PolarHBondContact OE2-NH2 3.26Å; E422-R424 VanDerWaalsContact C-N 3.35Å; E422-R424 PolarHBondContact O-N 2.99Å; R424-Q427 PolarHBondContact O-N 3.41Å; R424-Q428 PolarHBondContact O-N 2.73Å
425	L	97.3	Very high	93.4	Very high	39 Å²	39	34 Å²	34	20%	0.204	17%	0.17	C	C	.	.	H	α-helix	trans	-67.2	-42.7	177.6	-67.6	171.2	0	0	0	111.7	E421 E422 Q427 Q428 N429	E421-L425 HydrophobicContact CG-CD1 4.22Å; E421-L425 WeakPolarHBondContact O-CG 3.36Å; E421-L425 PolarHBondContact O-N 3.49Å; E422-L425 PolarHBondContact O-N 3.12Å; L425-Q427 VanDerWaalsContact C-N 3.34Å; L425-Q427 PolarHBondContact O-N 2.69Å; L425-Q428 PolarHBondContact O-N 2.81Å; L425-N429 PolarHBondContact O-N 3.26Å; L425-N429 PolarHBondContact O-ND2 3.16Å
426	A	98	Very high	93.4	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-58.9	-45.7	173.7	0	0	0	0	0	111.6	L163 A399 H402 L403 E422 L423 Q428 N429 L430	L163-A426 HydrophobicContact CD1-CB 4.04Å; A399-A426 HydrophobicContact CB-CB 4.34Å; H402-A426 HydrophobicContact CB-CB 3.96Å; L403-A426 HydrophobicContact CD2-CB 3.81Å; L403-A426 HydrophobicContact CG-CB 4.02Å; E422-A426 WeakPolarHBondContact O-CB 3.43Å; E422-A426 PolarHBondContact O-N 2.81Å; L423-A426 PolarHBondContact O-N 2.95Å; A426-Q428 VanDerWaalsContact C-N 3.35Å; A426-Q428 PolarHBondContact O-N 3.23Å; A426-N429 PolarHBondContact O-N 3.01Å; A426-L430 WeakPolarHBondContact O-CG 3.32Å; A426-L430 PolarHBondContact O-N 2.98Å
427	Q	96.3	Very high	92.8	Very high	30 Å²	30	44.3 Å²	44.3	14%	0.14	21%	0.211	C	C	.	.	H	α-helix	trans	-59.9	-43.9	177	-179.6	175	10.2	0	0	111.9	V160 L163 T164 L423 R424 L425 L430 S431	V160-Q427 HydrophobicContact CG1-CG 4.13Å; L163-Q427 HydrophobicContact CD1-CB 4.08Å; T164-Q427 PolarHBondContact OG1-NE2 3.1Å; T164-Q427 VanDerWaalsContact OG1-NE2 3.07Å; L423-Q427 WeakPolarHBondContact O-CB 3.44Å; L423-Q427 PolarHBondContact O-N 3.34Å; R424-Q427 PolarHBondContact O-N 3.41Å; L425-Q427 VanDerWaalsContact C-N 3.34Å; L425-Q427 PolarHBondContact O-N 2.69Å; Q427-L430 PolarHBondContact O-N 3.48Å; Q427-S431 WeakPolarHBondContact O-CB 3.48Å; Q427-S431 PolarHBondContact O-N 2.95Å; Q427-S431 PolarHBondContact O-OG 3.4Å
428	Q	95.4	Very high	92	Very high	72 Å²	72	38.6 Å²	38.6	34%	0.336	19%	0.186	S	C	.	.	H	α-helix	trans	-60	-49.2	177.8	-175.6	177.8	-19.3	0	0	111.2	R424 L425 A426 L430 S431 E432	R424-Q428 PolarHBondContact O-N 2.73Å; L425-Q428 PolarHBondContact O-N 2.81Å; A426-Q428 VanDerWaalsContact C-N 3.35Å; A426-Q428 PolarHBondContact O-N 3.23Å; Q428-L430 VanDerWaalsContact C-N 3.34Å; Q428-L430 PolarHBondContact O-N 2.97Å; Q428-S431 PolarHBondContact O-N 3.47Å; Q428-E432 WeakPolarHBondContact O-CG 3.27Å; Q428-E432 PolarHBondContact O-N 3.26Å
429	N	96.7	Very high	91.4	Very high	16 Å²	16	37.9 Å²	37.9	9%	0.086	19%	0.188	C	C	.	.	H	α-helix	trans	-59.6	-42.5	178.2	-75.4	-75.5	0	0	0	112.1	A395 Q398 A399 H402 L425 A426 E432	A395-N429 WeakPolarHBondContact CB-O 3.33Å; Q398-N429 HydrophobicContact CB-CB 4.39Å; Q398-N429 WeakPolarHBondContact CB-OD1 3.5Å; Q398-N429 PolarHBondContact OE1-OD1 3.39Å; Q398-N429 VanDerWaalsContact OE1-OD1 3.06Å; A399-N429 HydrophobicContact CB-CB 4.26Å; H402-N429 PolarHBondContact CD2-ND2 3Å; L425-N429 PolarHBondContact O-N 3.26Å; L425-N429 PolarHBondContact O-ND2 3.16Å; A426-N429 PolarHBondContact O-N 3.01Å; N429-E432 PolarHBondContact O-N 3.03Å
430	L	97.3	Very high	90.7	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-64.8	-41.3	176.3	-68.3	-178	0	0	0	112.2	V156 L159 V160 L163 L200 L396 A399 A426 Q427 Q428 E432 I433	V156-L430 HydrophobicContact CG1-CB 4.22Å; V156-L430 WeakPolarHBondContact CG1-O 3.48Å; L159-L430 HydrophobicContact CB-CD1 3.66Å; L159-L430 HydrophobicContact CD1-CD1 4.38Å; V160-L430 HydrophobicContact CG2-CB 3.72Å; V160-L430 HydrophobicContact CG2-CD1 4.34Å; L163-L430 HydrophobicContact CD1-CD1 3.69Å; L200-L430 HydrophobicContact CD1-CD2 4.15Å; L396-L430 HydrophobicContact CD2-CD2 3.74Å; A399-L430 HydrophobicContact CB-CD2 3.72Å; A399-L430 HydrophobicContact CB-CG 3.8Å; A426-L430 WeakPolarHBondContact O-CG 3.32Å; A426-L430 PolarHBondContact O-N 2.98Å; Q427-L430 PolarHBondContact O-N 3.48Å; Q428-L430 VanDerWaalsContact C-N 3.34Å; Q428-L430 PolarHBondContact O-N 2.97Å; L430-E432 VanDerWaalsContact C-N 3.26Å; L430-E432 PolarHBondContact O-N 3.18Å; L430-I433 HydrophobicContact CD2-CD1 4.39Å; L430-I433 VanDerWaalsContact O-CB 3.24Å; L430-I433 WeakPolarHBondContact O-CB 3.46Å; L430-I433 WeakPolarHBondContact O-CG1 3.39Å; L430-I433 PolarHBondContact O-N 3.4Å
431	S	95.3	Very high	90	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-70.7	-20.8	-177.8	-52.4	0	0	0	0	112.8	Q427 Q428 I433 T434 G435 E436	Q427-S431 WeakPolarHBondContact O-CB 3.48Å; Q427-S431 PolarHBondContact O-N 2.95Å; Q427-S431 PolarHBondContact O-OG 3.4Å; Q428-S431 PolarHBondContact O-N 3.47Å; S431-I433 PolarHBondContact O-N 3.13Å; S431-T434 PolarHBondContact O-N 3.22Å; S431-T434 PolarHBondContact O-OG1 2.97Å; S431-G435 PolarHBondContact O-N 2.89Å; S431-G435 VanDerWaalsContact O-N 3.14Å; S431-E436 PolarHBondContact O-N 2.85Å; S431-E436 VanDerWaalsContact O-N 3.1Å
432	E	93.1	Very high	89.1	Confident	58 Å²	58	49 Å²	49	27%	0.271	25%	0.248	S	C	.	.	H	α-helix	trans	-65	-21.4	168.8	-72.6	177.5	-167.3	0	0	113.1	R391 Q428 N429 L430	R391-E432 PolarHBondContact NH1-O 3.42Å; Q428-E432 WeakPolarHBondContact O-CG 3.27Å; Q428-E432 PolarHBondContact O-N 3.26Å; N429-E432 PolarHBondContact O-N 3.03Å; L430-E432 VanDerWaalsContact C-N 3.26Å; L430-E432 PolarHBondContact O-N 3.18Å
433	I	94.6	Very high	88.3	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-67.2	-48.3	177.5	-63	172.8	0	0	0	110.4	A124 F152 V156 R391 A395 L396 L430 S431	A124-I433 HydrophobicContact CB-CG2 4.35Å; F152-I433 HydrophobicContact CD1-CG2 4.26Å; F152-I433 HydrophobicContact CE1-CG2 3.46Å; F152-I433 VanDerWaalsContact CE1-CG2 3.46Å; F152-I433 HydrophobicContact CZ-CD1 4.26Å; F152-I433 HydrophobicContact CZ-CG2 3.67Å; V156-I433 HydrophobicContact CG1-CB 4.3Å; V156-I433 HydrophobicContact CG1-CD1 4.38Å; V156-I433 HydrophobicContact CG2-CB 4.45Å; V156-I433 HydrophobicContact CG2-CD1 4.02Å; V156-I433 HydrophobicContact CG2-CG2 4.06Å; R391-I433 PolarHBondContact NH2-O 3.46Å; A395-I433 HydrophobicContact CB-CD1 3.94Å; A395-I433 HydrophobicContact CB-CG1 3.65Å; L396-I433 HydrophobicContact CD2-CD1 3.91Å; L396-I433 HydrophobicContact CG-CD1 3.92Å; L430-I433 HydrophobicContact CD2-CD1 4.39Å; L430-I433 VanDerWaalsContact O-CB 3.24Å; L430-I433 WeakPolarHBondContact O-CB 3.46Å; L430-I433 WeakPolarHBondContact O-CG1 3.39Å; L430-I433 PolarHBondContact O-N 3.4Å; S431-I433 PolarHBondContact O-N 3.13Å
434	T	93	Very high	87.6	Confident	12 Å²	12	49.7 Å²	49.7	7%	0.074	26%	0.259	C	S	.	.	H	α-helix	trans	-82.1	-14.3	-179.3	52.8	0	0	0	0	113	D122 L123 V156 S431	D122-T434 WeakPolarHBondContact CB-O 3.36Å; L123-T434 VanDerWaalsContact CB-O 3.29Å; L123-T434 WeakPolarHBondContact CB-O 3.36Å; L123-T434 PolarHBondContact N-O 3.43Å; V156-T434 HydrophobicContact CB-CG2 4.45Å; V156-T434 HydrophobicContact CG1-CG2 4.23Å; S431-T434 PolarHBondContact O-N 3.22Å; S431-T434 PolarHBondContact O-OG1 2.97Å
435	G	88	Confident	86.9	Confident	8 Å²	8	54.3 Å²	54.3	8%	0.082	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	98	8.9	174.8	0	0	0	0	0	114.8	S431 F437 T438	S431-G435 PolarHBondContact O-N 2.89Å; S431-G435 VanDerWaalsContact O-N 3.14Å; G435-F437 VanDerWaalsContact C-N 3.28Å; G435-F437 PolarHBondContact O-N 3.47Å; G435-T438 PolarHBondContact O-OG1 3.09Å
436	E	81.9	Confident	86.2	Confident	127 Å²	127	53 Å²	53	59%	0.593	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-30.4	-177.4	-167.5	177.8	173.6	0	0	112.5	S431	S431-E436 PolarHBondContact O-N 2.85Å; S431-E436 VanDerWaalsContact O-N 3.1Å
437	F	71.9	Confident	85.6	Confident	117 Å²	117	53 Å²	53	51%	0.513	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.1	48.2	179.8	-63.3	-85	0	0	0	113.5	G435	G435-F437 VanDerWaalsContact C-N 3.28Å; G435-F437 PolarHBondContact O-N 3.47Å
438	T	72.5	Confident	84.9	Confident	30 Å²	30	55 Å²	55	18%	0.184	29%	0.287	C	S	.	.			trans	-102.3	147.4	-177.9	52.6	0	0	0	0	114.6	L123 G435 L442	L123-T438 HydrophobicContact CD2-CG2 3.97Å; G435-T438 PolarHBondContact O-OG1 3.09Å; T438-L442 HydrophobicContact CG2-CD2 3.95Å
439	S	77.6	Confident	83.9	Confident	71 Å²	71	54.8 Å²	54.8	50%	0.497	29%	0.294	S	S	.	.			trans	-80.9	150.6	172.7	67.4	0	0	0	0	112.6	D441 L442 L443	S439-D441 PolarHBondContact O-N 3.15Å; S439-L442 PolarHBondContact O-N 3.3Å; S439-L443 PolarHBondContact O-N 3.06Å; S439-L443 VanDerWaalsContact O-N 3.15Å
440	D	78.6	Confident	82.6	Confident	137 Å²	137	55.1 Å²	55.1	73%	0.733	29%	0.294	S	S	*	.	H	α-helix	trans	-55.8	-34.4	177.6	-68.9	-13.6	0	0	0	113.1	L443 G444	D440-L443 PolarHBondContact O-N 2.92Å; D440-G444 PolarHBondContact O-N 3.48Å
441	D	78.1	Confident	80.7	Confident	129 Å²	129	58.5 Å²	58.5	69%	0.69	32%	0.317	S	S	*	.	H	α-helix	trans	-66.8	-37.8	178.1	-77.2	-21	0	0	0	112.5	S439 R445	S439-D441 PolarHBondContact O-N 3.15Å; D441-R445 WeakPolarHBondContact O-CG 3.21Å; D441-R445 PolarHBondContact O-N 3.35Å; D441-R445 VanDerWaalsContact O-N 3.16Å
442	L	76.9	Confident	78.3	Confident	60 Å²	60	63.4 Å²	63.4	31%	0.314	34%	0.342	S	S	.	.	H	α-helix	trans	-68.9	-45.7	176.6	179.7	64.3	0	0	0	110.3	T438 S439 G444 R445 I446	T438-L442 HydrophobicContact CG2-CD2 3.95Å; S439-L442 PolarHBondContact O-N 3.3Å; L442-G444 VanDerWaalsContact C-N 3.34Å; L442-G444 PolarHBondContact O-N 3.02Å; L442-R445 PolarHBondContact O-N 3.2Å; L442-I446 HydrophobicContact CD1-CD1 4.18Å; L442-I446 HydrophobicContact CD1-CG1 4.45Å; L442-I446 HydrophobicContact CG-CD1 3.98Å; L442-I446 WeakPolarHBondContact O-CG1 3.18Å; L442-I446 PolarHBondContact O-N 3.39Å
443	L	79.9	Confident	75.7	Confident	14 Å²	14	63.2 Å²	63.2	7%	0.073	36%	0.356	C	S	.	.	H	α-helix	trans	-56.5	-49.1	175.8	-68.3	171.6	0	0	0	110.8	F116 L123 S439 D440 R445 I446 F447	F116-L443 HydrophobicContact CD1-CD2 4.12Å; F116-L443 HydrophobicContact CE1-CD1 4.12Å; F116-L443 HydrophobicContact CE1-CD2 3.59Å; F116-L443 HydrophobicContact CZ-CD2 4.17Å; L123-L443 HydrophobicContact CD1-CD2 3.88Å; L123-L443 HydrophobicContact CD2-CD2 4.23Å; S439-L443 PolarHBondContact O-N 3.06Å; S439-L443 VanDerWaalsContact O-N 3.15Å; D440-L443 PolarHBondContact O-N 2.92Å; L443-R445 VanDerWaalsContact C-N 3.29Å; L443-R445 PolarHBondContact O-N 3.08Å; L443-I446 PolarHBondContact O-N 3.26Å; L443-F447 HydrophobicContact CD2-CE2 4.17Å; L443-F447 WeakPolarHBondContact O-CD2 3.37Å; L443-F447 PolarHBondContact O-N 3.11Å
444	G	80.8	Confident	72.7	Confident	29 Å²	29	75.2 Å²	75.2	30%	0.299	41%	0.409	S	S	.	.	H	α-helix	trans	-58.7	-37.8	177.8	0	0	0	0	0	113.4	D440 L442 S448	D440-G444 PolarHBondContact O-N 3.48Å; L442-G444 VanDerWaalsContact C-N 3.34Å; L442-G444 PolarHBondContact O-N 3.02Å; G444-S448 WeakPolarHBondContact O-CB 3.43Å; G444-S448 PolarHBondContact O-N 3.21Å; G444-S448 PolarHBondContact O-OG 2.99Å
445	R	81.8	Confident	71.7	Confident	190 Å²	190	78.4 Å²	78.4	72%	0.717	43%	0.425	S	S	*	.	H	α-helix	trans	-68.7	-43.6	175.6	-74.7	177.6	-175.6	-158	2.9	112.3	D441 L442 L443 S448 S449	D441-R445 WeakPolarHBondContact O-CG 3.21Å; D441-R445 PolarHBondContact O-N 3.35Å; D441-R445 VanDerWaalsContact O-N 3.16Å; L442-R445 PolarHBondContact O-N 3.2Å; L443-R445 VanDerWaalsContact C-N 3.29Å; L443-R445 PolarHBondContact O-N 3.08Å; R445-S448 WeakPolarHBondContact CA-OG 3.36Å; R445-S448 PolarHBondContact O-OG 3.29Å; R445-S449 PolarHBondContact O-N 3.17Å
446	I	82.4	Confident	70.9	Confident	11 Å²	11	82.1 Å²	82.1	6%	0.056	44%	0.443	C	S	.	.	H	α-helix	trans	-61.8	-54.7	179.4	-69.7	171.1	0	0	0	109.7	L123 E127 L442 L443 S448 S449 F450	L123-I446 HydrophobicContact CD1-CD1 4Å; L123-I446 HydrophobicContact CD1-CG2 4.09Å; L123-I446 HydrophobicContact CD2-CD1 3.79Å; L123-I446 HydrophobicContact CG-CD1 4.16Å; E127-I446 HydrophobicContact CG-CG2 3.75Å; L442-I446 HydrophobicContact CD1-CD1 4.18Å; L442-I446 HydrophobicContact CD1-CG1 4.45Å; L442-I446 HydrophobicContact CG-CD1 3.98Å; L442-I446 WeakPolarHBondContact O-CG1 3.18Å; L442-I446 PolarHBondContact O-N 3.39Å; L443-I446 PolarHBondContact O-N 3.26Å; I446-S448 VanDerWaalsContact C-N 3.33Å; I446-S448 PolarHBondContact O-N 3.03Å; I446-S449 WeakPolarHBondContact O-CB 3.45Å; I446-S449 PolarHBondContact O-N 3.34Å; I446-S449 VanDerWaalsContact O-N 3.13Å; I446-S449 PolarHBondContact O-OG 3.31Å; I446-F450 HydrophobicContact CG2-CE2 3.63Å; I446-F450 HydrophobicContact CG2-CZ 4.2Å; I446-F450 WeakPolarHBondContact O-CD2 3.4Å; I446-F450 WeakPolarHBondContact O-CE2 3.49Å
447	F	85.1	Confident	70.2	Confident	1 Å²	1	79.6 Å²	79.6	0%	0.004	44%	0.435	C	S	.	.	H	α-helix	trans	-69.3	-30.5	-176.9	-69.7	-67.6	0	0	0	113.2	P108 G109 S112 E113 F116 L123 A126 L443 S449 F450	P108-F447 CarbonylContact C-O 3.51Å; P108-F447 VanDerWaalsContact C-O 3.3Å; P108-F447 CarbonylContact O-C 3.6Å; P108-F447 VanDerWaalsContact O-O 3.09Å; G109-F447 WeakPolarHBondContact CA-O 3.36Å; G109-F447 PolarHBondContact N-O 3.43Å; G109-F447 WeakPolarHBondContact O-CD1 3.3Å; S112-F447 VanDerWaalsContact C-CE1 3.42Å; E113-F447 HydrophobicContact CB-CB 4.28Å; E113-F447 HydrophobicContact CB-CD1 3.9Å; E113-F447 HydrophobicContact CB-CD2 3.64Å; E113-F447 HydrophobicContact CB-CE1 4.14Å; E113-F447 HydrophobicContact CB-CE2 3.91Å; E113-F447 HydrophobicContact CB-CG 3.66Å; E113-F447 HydrophobicContact CB-CZ 4.16Å; E113-F447 HydrophobicContact CG-CD2 3.64Å; E113-F447 HydrophobicContact CG-CE2 3.91Å; E113-F447 HydrophobicContact CG-CG 4.13Å; E113-F447 VanDerWaalsContact N-CE1 3.26Å; F116-F447 HydrophobicContact CB-CZ 3.97Å; F116-F447 HydrophobicContact CD1-CE2 4.45Å; F116-F447 HydrophobicContact CG-CZ 4.39Å; L123-F447 HydrophobicContact CD1-CE2 4.14Å; L123-F447 HydrophobicContact CD1-CZ 4.11Å; A126-F447 HydrophobicContact CB-CE1 3.88Å; A126-F447 HydrophobicContact CB-CZ 4.05Å; L443-F447 HydrophobicContact CD2-CE2 4.17Å; L443-F447 WeakPolarHBondContact O-CD2 3.37Å; L443-F447 PolarHBondContact O-N 3.11Å; F447-S449 PolarHBondContact O-N 3.1Å; F447-F450 HydrophobicContact CD1-CD1 4.46Å; F447-F450 HydrophobicContact CD1-CE1 4.21Å; F447-F450 HydrophobicContact CD1-CE2 4.42Å; F447-F450 HydrophobicContact CD1-CZ 4.16Å; F447-F450 HydrophobicContact CE1-CE1 4.22Å; F447-F450 HydrophobicContact CE1-CZ 4.15Å; F447-F450 WeakPolarHBondContact O-CB 3.16Å; F447-F450 PolarHBondContact O-N 2.67Å; F447-F450 VanDerWaalsContact O-N 3.1Å
448	S	81.7	Confident	70.1	Confident	70 Å²	70	77.4 Å²	77.4	49%	0.49	43%	0.43	S	S	.	.	H	α-helix	trans	-62.9	-25	174.6	63.9	0	0	0	0	113.6	G444 R445 I446 F450	G444-S448 WeakPolarHBondContact O-CB 3.43Å; G444-S448 PolarHBondContact O-N 3.21Å; G444-S448 PolarHBondContact O-OG 2.99Å; R445-S448 WeakPolarHBondContact CA-OG 3.36Å; R445-S448 PolarHBondContact O-OG 3.29Å; I446-S448 VanDerWaalsContact C-N 3.33Å; I446-S448 PolarHBondContact O-N 3.03Å; S448-F450 VanDerWaalsContact C-N 3.34Å
449	S	74.2	Confident	70	Confident	69 Å²	69	80.4 Å²	80.4	48%	0.483	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-13.2	176.6	75	0	0	0	0	114.7	R445 I446 F447 C451	R445-S449 PolarHBondContact O-N 3.17Å; I446-S449 WeakPolarHBondContact O-CB 3.45Å; I446-S449 PolarHBondContact O-N 3.34Å; I446-S449 VanDerWaalsContact O-N 3.13Å; I446-S449 PolarHBondContact O-OG 3.31Å; F447-S449 PolarHBondContact O-N 3.1Å; S449-C451 VanDerWaalsContact C-N 3.28Å; S449-C451 PolarHBondContact O-N 3.01Å
450	F	71.1	Confident	69.5	Low	23 Å²	23	81 Å²	81	10%	0.101	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-12.4	-173.3	-80.1	-139.8	0	0	0	113.5	A126 E127 A130 I446 F447 S448	A126-F450 VanDerWaalsContact C-CZ 3.41Å; A126-F450 HydrophobicContact CB-CE1 4.38Å; A126-F450 HydrophobicContact CB-CZ 4.25Å; A126-F450 WeakPolarHBondContact O-CE1 3.43Å; A126-F450 WeakPolarHBondContact O-CZ 3.36Å; E127-F450 HydrophobicContact CG-CE2 4.37Å; E127-F450 HydrophobicContact CG-CZ 4.27Å; A130-F450 HydrophobicContact CB-CD1 4.21Å; A130-F450 HydrophobicContact CB-CD2 4.15Å; A130-F450 HydrophobicContact CB-CE1 4.42Å; A130-F450 HydrophobicContact CB-CE2 4.34Å; A130-F450 HydrophobicContact CB-CG 4.12Å; I446-F450 HydrophobicContact CG2-CE2 3.63Å; I446-F450 HydrophobicContact CG2-CZ 4.2Å; I446-F450 WeakPolarHBondContact O-CD2 3.4Å; I446-F450 WeakPolarHBondContact O-CE2 3.49Å; F447-F450 HydrophobicContact CD1-CD1 4.46Å; F447-F450 HydrophobicContact CD1-CE1 4.21Å; F447-F450 HydrophobicContact CD1-CE2 4.42Å; F447-F450 HydrophobicContact CD1-CZ 4.16Å; F447-F450 HydrophobicContact CE1-CE1 4.22Å; F447-F450 HydrophobicContact CE1-CZ 4.15Å; F447-F450 WeakPolarHBondContact O-CB 3.16Å; F447-F450 PolarHBondContact O-N 2.67Å; F447-F450 VanDerWaalsContact O-N 3.1Å; S448-F450 VanDerWaalsContact C-N 3.34Å
451	C	56.9	Low	68.8	Low	72 Å²	72	77 Å²	77	49%	0.486	42%	0.422	S	S	.	.			trans	-91.7	110.2	175.5	-74.2	0	0	0	0	112	P108 S449	P108-C451 WeakPolarHBondContact CA-SG 3.27Å; P108-C451 HydrophobicContact CB-CB 3.7Å; P108-C451 WeakPolarHBondContact CB-SG 3.34Å; P108-C451 HydrophobicContact CG-CB 4.22Å; S449-C451 VanDerWaalsContact C-N 3.28Å; S449-C451 PolarHBondContact O-N 3.01Å
452	I	43.7	Very low	68.1	Low	103 Å²	103	73 Å²	73	53%	0.528	40%	0.401	S	S	.	.			trans	-72.3	121.8	161.2	-54.8	163.5	0	0	0	107.9	I133 D134	I133-I452 HydrophobicContact CB-CD1 4.42Å; I133-I452 HydrophobicContact CG2-CD1 3.39Å; D134-I452 WeakPolarHBondContact OD1-CD1 3.3Å
453	G	38.9	Very low	67.4	Low	55 Å²	55	74.1 Å²	74.1	57%	0.567	41%	0.408	S	S	*	.			trans	93.5	45.3	157	0	0	0	0	0	118.9
454	K	32.5	Very low	66.3	Low	252 Å²	252	79.5 Å²	79.5	100%	1.096	44%	0.439	S	S	*	.			trans	-98	0	152.5	-89.2	-165.8	-179.1	179.7	0	111.9

Retrieved 454 of 454 residues in 133.7 ms (Link to these results)

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