A0A077Z006_TRITR Loading...

TBP and UBA and ubiquitin domain containing prote in

AlphaFold DB , UniProt , Accession A0A077Z006, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 729 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	37.5	Very low	38.7	Very low	246 Å²	246	146.9 Å²	146.9	100%	1.212	80%	0.796	S	S	*	*				0	112.9	0	-99.4	167.5	167.2	0	0	107.6	L3	M1-L3 PolarHBondContact O-N 3.38Å
2	K	34.9	Very low	40.6	Very low	212 Å²	212	140.3 Å²	140.3	92%	0.922	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-66.4	127.9	175.6	-80.1	177.9	173.2	179.7	0	108.4
3	L	35.3	Very low	43	Very low	163 Å²	163	143.3 Å²	143.3	85%	0.853	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-54.5	136.3	169.1	-77	147.6	0	0	0	109	M1 T5	M1-L3 PolarHBondContact O-N 3.38Å; L3-T5 PolarHBondContact O-N 3.34Å
4	P	38.1	Very low	45.7	Very low	120 Å²	120	139.6 Å²	139.6	78%	0.779	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-70.1	129.8	171.7	30.4	-31.1	0	0	0	108.8
5	T	32.6	Very low	48.5	Very low	132 Å²	132	132.2 Å²	132.2	81%	0.81	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-62.6	145.5	177.1	9.6	0	0	0	0	111.7	L3 E7	L3-T5 PolarHBondContact O-N 3.34Å; T5-E7 VanDerWaalsContact C-N 3.27Å; T5-E7 PolarHBondContact O-N 3.05Å
6	A	38	Very low	51	Low	86 Å²	86	131.1 Å²	131.1	71%	0.711	70%	0.704	S	S	*	*	S	Bend	trans	-76.4	35	-162.2	0	0	0	0	0	116.6
7	E	30.2	Very low	53.4	Low	175 Å²	175	123.9 Å²	123.9	82%	0.818	67%	0.665	S	S	*	*			trans	-115.2	83.5	-170.5	-69.9	177.8	175.6	0	0	111.7	T5	T5-E7 VanDerWaalsContact C-N 3.27Å; T5-E7 PolarHBondContact O-N 3.05Å
8	S	35.3	Very low	55.6	Low	113 Å²	113	124.5 Å²	124.5	79%	0.79	66%	0.663	S	S	*	*			trans	165.8	38.9	153.3	46.6	0	0	0	0	112
9	F	45.1	Very low	57.6	Low	83 Å²	83	119.2 Å²	119.2	36%	0.364	64%	0.636	S	S	.	*			trans	-88.2	111.6	171.7	-85.3	-88.1	0	0	0	109.4	D11 R187 I192	F9-D11 PolarHBondContact O-N 3.49Å; F9-R187 VanDerWaalsContact CD1-CZ 3.5Å; F9-R187 HydrophobicContact CE1-CG 4.28Å; F9-I192 HydrophobicContact CD1-CD1 4.3Å; F9-I192 HydrophobicContact CE1-CD1 3.82Å; F9-I192 HydrophobicContact CZ-CD1 4.19Å
10	I	49.9	Very low	59.3	Low	130 Å²	130	121.3 Å²	121.3	67%	0.667	64%	0.636	S	S	*	*			trans	-55.8	130.3	160.8	-60.7	167	0	0	0	106.9	M12	I10-M12 HydrophobicContact CG2-CG 4.34Å; I10-M12 PolarHBondContact O-N 3.14Å
11	D	48.7	Very low	61	Low	156 Å²	156	116.9 Å²	116.9	83%	0.834	61%	0.613	S	S	*	*			trans	-62.6	84.3	172.3	-79.8	-32	0	0	0	109.4	F9	F9-D11 PolarHBondContact O-N 3.49Å
12	M	61.6	Low	63.7	Low	67 Å²	67	105.1 Å²	105.1	33%	0.33	56%	0.555	S	S	.	*			trans	-84.1	113.9	174	-79.6	179.4	-90.3	0	0	108.9	I10 P119 F120 Y183	I10-M12 HydrophobicContact CG2-CG 4.34Å; I10-M12 PolarHBondContact O-N 3.14Å; M12-P119 HydrophobicContact CB-CG 4.46Å; M12-P119 HydrophobicContact SD-CB 4.17Å; M12-P119 HydrophobicContact SD-CG 3.89Å; M12-F120 HydrophobicContact SD-CD1 4.34Å; M12-Y183 PolarHBondContact O-OH 3.47Å
13	E	71.8	Confident	66.6	Low	180 Å²	180	97.9 Å²	97.9	84%	0.841	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-55.4	142.6	174.5	-68.4	-174.9	165.4	0	0	111.4	P15	E13-P15 WeakPolarHBondContact O-CD 3.3Å
14	M	80.5	Confident	69.5	Low	92 Å²	92	90.1 Å²	90.1	45%	0.453	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-68.1	123.4	177.3	-177.4	173.7	63.8	0	0	109.6	F179 E180 Y183	M14-F179 HydrophobicContact CG-CD1 4.37Å; M14-F179 HydrophobicContact CG-CE1 3.87Å; M14-F179 HydrophobicContact SD-CD1 4.35Å; M14-F179 HydrophobicContact SD-CE1 4.39Å; M14-E180 HydrophobicContact CE-CG 4.13Å; M14-E180 HydrophobicContact SD-CG 4.35Å; M14-Y183 HydrophobicContact CB-CD1 4.39Å; M14-Y183 HydrophobicContact CB-CE1 4.03Å; M14-Y183 HydrophobicContact CG-CD1 3.95Å; M14-Y183 HydrophobicContact CG-CD2 4.25Å; M14-Y183 HydrophobicContact CG-CE1 4.05Å; M14-Y183 HydrophobicContact CG-CE2 4.36Å; M14-Y183 HydrophobicContact CG-CG 4.05Å; M14-Y183 HydrophobicContact SD-CD1 4.07Å; M14-Y183 HydrophobicContact SD-CG 4.24Å
15	P	87.3	Confident	72.2	Confident	28 Å²	28	85.5 Å²	85.5	18%	0.182	46%	0.456	C	S	.	.	P	Polyproline II helix	trans	-69.4	146.4	-178.8	27	-32.3	0	0	0	111.4	E13 C116 Q117 L118 F179 Y183	E13-P15 WeakPolarHBondContact O-CD 3.3Å; P15-C116 VanDerWaalsContact CG-SG 3.55Å; P15-Q117 WeakPolarHBondContact CB-O 3.41Å; P15-L118 HydrophobicContact CG-CD2 3.95Å; P15-F179 HydrophobicContact CG-CE1 4.19Å; P15-F179 HydrophobicContact CG-CZ 3.94Å; P15-F179 VanDerWaalsContact O-CE1 3.29Å; P15-F179 WeakPolarHBondContact O-CE1 3.46Å; P15-Y183 HydrophobicContact CG-CE2 4.34Å
16	V	88.5	Confident	75.2	Confident	115 Å²	115	79.5 Å²	79.5	70%	0.697	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-80.3	132.7	-179.4	-177.5	0	0	0	0	110.3
17	V	92.9	Very high	77.9	Confident	8 Å²	8	79.8 Å²	79.8	5%	0.048	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-74.9	129	172.4	-177.8	0	0	0	0	109.2	C116 I166 L175 F179	V17-C116 HydrophobicContact CG2-CB 4.4Å; V17-I166 HydrophobicContact CG1-CD1 3.96Å; V17-I166 HydrophobicContact CG2-CD1 4.14Å; V17-L175 HydrophobicContact CG1-CB 4.41Å; V17-F179 HydrophobicContact CG2-CB 3.54Å; V17-F179 HydrophobicContact CG2-CD1 3.66Å; V17-F179 HydrophobicContact CG2-CD2 3.81Å; V17-F179 HydrophobicContact CG2-CE1 4.32Å; V17-F179 HydrophobicContact CG2-CE2 4.46Å; V17-F179 HydrophobicContact CG2-CG 3.36Å
18	Q	93	Very high	80.8	Confident	135 Å²	135	71.5 Å²	71.5	63%	0.631	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	128.8	176.1	-65	-178.2	-7.8	0	0	110	Y20 G114 T115	Q18-Y20 PolarHBondContact O-N 3.19Å; Q18-G114 CarbonylContact O-C 3.6Å; Q18-G114 VanDerWaalsContact O-CA 3.26Å; Q18-G114 WeakPolarHBondContact O-CA 3.41Å; Q18-T115 HydrophobicContact CB-CG2 4.25Å; Q18-T115 PolarHBondContact N-O 3.13Å; Q18-T115 PolarHBondContact O-N 3.28Å
19	V	93.8	Very high	83.2	Confident	24 Å²	24	67.7 Å²	67.7	15%	0.145	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	124.4	171.7	-176.6	0	0	0	0	109.1	V22 K79 V112 E172 L175	V19-V22 HydrophobicContact CG1-CG2 3.94Å; V19-K79 WeakPolarHBondContact CB-O 3.32Å; V19-K79 WeakPolarHBondContact CG1-O 3.49Å; V19-V112 HydrophobicContact CG1-CG1 3.79Å; V19-V112 HydrophobicContact CG2-CG1 4.32Å; V19-E172 HydrophobicContact CG2-CG 3.75Å; V19-L175 HydrophobicContact CG2-CD1 4.16Å
20	Y	91.7	Very high	85.2	Confident	160 Å²	160	66.6 Å²	66.6	63%	0.627	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.3	-35.8	-178.4	174	-100.8	0	0	0	112	Q18 A113	Q18-Y20 PolarHBondContact O-N 3.19Å; Y20-A113 PolarHBondContact N-O 3.31Å
21	N	94.4	Very high	87	Confident	29 Å²	29	68.3 Å²	68.3	16%	0.155	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	141	-177.1	-172.5	24.7	0	0	0	111.6	G77 A78 A113	N21-G77 VanDerWaalsContact OD1-CA 3.29Å; N21-G77 WeakPolarHBondContact OD1-CA 3.38Å; N21-G77 PolarHBondContact OD1-N 3.05Å; N21-A78 CarbonylContact C-O 3.54Å; N21-A78 WeakPolarHBondContact CA-O 3.26Å; N21-A113 HydrophobicContact CB-CB 4.37Å; N21-A113 PolarHBondContact N-O 3.32Å; N21-A113 PolarHBondContact O-N 3.29Å
22	V	95	Very high	88.8	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	122.9	171.9	-176.7	0	0	0	0	108.7	V19 A78 E81 V109 V112	V19-V22 HydrophobicContact CG1-CG2 3.94Å; V22-A78 HydrophobicContact CB-CB 4.37Å; V22-A78 PolarHBondContact N-O 3.45Å; V22-E81 HydrophobicContact CG1-CG 4.44Å; V22-V109 HydrophobicContact CG1-CG1 3.84Å; V22-V109 HydrophobicContact CG1-CG2 4.36Å; V22-V112 HydrophobicContact CG2-CG1 4.27Å
23	I	95.3	Very high	89.9	Confident	59 Å²	59	64 Å²	64	30%	0.303	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	123.2	176.7	-55.6	176.1	0	0	0	108	V74 C75 E110 S111	I23-V74 HydrophobicContact CG2-CG1 3.94Å; I23-C75 WeakPolarHBondContact CA-O 3.03Å; I23-E110 PolarHBondContact O-N 2.84Å; I23-S111 PolarHBondContact N-O 3.31Å; I23-S111 PolarHBondContact O-N 3Å
24	S	95.5	Very high	90.7	Very high	1 Å²	1	56 Å²	56	1%	0.007	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	154.2	175.8	59.3	0	0	0	0	111.3	V74 C75 S84 F107 K108	S24-V74 CarbonylContact O-C 3.5Å; S24-V74 WeakPolarHBondContact O-CA 3.45Å; S24-C75 PolarHBondContact N-O 3.26Å; S24-C75 PolarHBondContact O-N 3.07Å; S24-S84 WeakPolarHBondContact CB-OG 3.38Å; S24-S84 PolarHBondContact OG-OG 3.42Å; S24-F107 VanDerWaalsContact CB-CE2 3.45Å; S24-F107 WeakPolarHBondContact OG-CE2 3.43Å; S24-K108 CarbonylContact C-O 3.59Å; S24-K108 WeakPolarHBondContact CA-O 3.22Å; S24-K108 WeakPolarHBondContact CB-O 3.26Å
25	S	95.2	Very high	90.8	Very high	23 Å²	23	58.9 Å²	58.9	16%	0.161	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	148.2	171.7	61.6	0	0	0	0	110.8	M73 F107 K108 E110	S25-M73 CarbonylContact C-O 3.59Å; S25-M73 VanDerWaalsContact CA-O 3.26Å; S25-M73 WeakPolarHBondContact CA-O 3.27Å; S25-F107 WeakPolarHBondContact O-CA 3.33Å; S25-K108 PolarHBondContact N-O 3.42Å; S25-K108 PolarHBondContact O-N 3.13Å; S25-E110 WeakPolarHBondContact OG-CG 3.45Å; S25-E110 PolarHBondContact OG-OE1 2.95Å
26	A	95.5	Very high	90.7	Very high	5 Å²	5	61.2 Å²	61.2	4%	0.041	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	153.2	170.8	0	0	0	0	0	109.8	M73 W105 F107	A26-M73 HydrophobicContact CB-CE 4.08Å; A26-M73 PolarHBondContact N-O 3Å; A26-M73 PolarHBondContact O-N 2.71Å; A26-W105 CarbonylContact C-O 3.55Å; A26-W105 WeakPolarHBondContact CA-O 3.37Å; A26-F107 HydrophobicContact CB-CD2 4.42Å
27	Y	94.2	Very high	90.4	Very high	92 Å²	92	55.7 Å²	55.7	36%	0.361	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	128	174.8	-176.4	-116	0	0	0	110.6	G29 N70 W105	Y27-G29 PolarHBondContact O-N 2.73Å; Y27-N70 WeakPolarHBondContact CE2-O 3.28Å; Y27-W105 HydrophobicContact CD1-CB 4.45Å; Y27-W105 PolarHBondContact N-O 3.49Å; Y27-W105 WeakPolarHBondContact O-CB 3.03Å; Y27-W105 PolarHBondContact O-N 3.38Å
28	L	91.6	Very high	90	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	28%	0.277	C	S	.	.			trans	-77.6	-8.8	-175.4	-61.6	177.5	0	0	0	113.5	M32 V67 G71 M73 V92 I95 A102 K103	L28-M32 HydrophobicContact CB-SD 4.32Å; L28-M32 HydrophobicContact CD1-CG 3.91Å; L28-M32 HydrophobicContact CD1-SD 3.56Å; L28-M32 VanDerWaalsContact CD1-SD 3.56Å; L28-V67 HydrophobicContact CD1-CG1 3.55Å; L28-V67 HydrophobicContact CD1-CG2 4.32Å; L28-G71 VanDerWaalsContact CB-O 3.31Å; L28-G71 WeakPolarHBondContact CB-O 3.43Å; L28-G71 WeakPolarHBondContact CG-O 3.3Å; L28-G71 PolarHBondContact N-O 3.16Å; L28-M73 HydrophobicContact CD1-CB 4.27Å; L28-M73 HydrophobicContact CD2-CB 4.06Å; L28-M73 HydrophobicContact CD2-CE 4.23Å; L28-M73 HydrophobicContact CD2-SD 4.12Å; L28-M73 HydrophobicContact CG-CB 4.08Å; L28-V92 HydrophobicContact CD2-CG2 3.73Å; L28-I95 HydrophobicContact CD1-CD1 3.98Å; L28-I95 HydrophobicContact CD2-CD1 4.29Å; L28-A102 HydrophobicContact CB-CB 4.28Å; L28-A102 HydrophobicContact CD2-CB 4.18Å; L28-K103 CarbonylContact C-O 3.41Å; L28-K103 WeakPolarHBondContact CA-O 3.46Å; L28-K103 PolarHBondContact O-N 2.8Å
29	G	86.7	Confident	89.4	Confident	34 Å²	34	54.2 Å²	54.2	35%	0.351	28%	0.28	S	S	.	.	S	Bend	trans	96.8	-22.2	175.9	0	0	0	0	0	114.8	Y27	Y27-G29 PolarHBondContact O-N 2.73Å
30	H	85.8	Confident	88.8	Confident	60 Å²	60	57.3 Å²	57.3	28%	0.278	29%	0.292	S	S	.	.	S	Bend	trans	-150.1	167.6	-179.5	66	96	0	0	0	112.4	M32 G71 T101	H30-M32 WeakPolarHBondContact CE1-CE 3.4Å; H30-M32 WeakPolarHBondContact ND1-CE 3.11Å; H30-M32 WeakPolarHBondContact NE2-CE 3.23Å; H30-G71 WeakPolarHBondContact O-CA 3.26Å; H30-T101 PolarHBondContact CD2-O 3.3Å; H30-T101 VanDerWaalsContact NE2-C 3.26Å; H30-T101 PolarHBondContact NE2-O 3.36Å; H30-T101 PolarHBondContact NE2-OG1 3.34Å
31	K	88.2	Confident	88.4	Confident	165 Å²	165	49.8 Å²	49.8	72%	0.717	26%	0.263	S	S	*	.			trans	-61.9	135.8	174.3	-163.5	-179.5	-179.2	178	0	110.1	A69	K31-A69 WeakPolarHBondContact CG-O 3.24Å
32	M	85.7	Confident	87.6	Confident	5 Å²	5	57.2 Å²	57.2	3%	0.025	29%	0.294	C	S	.	.			trans	-101.7	133.3	-177.7	-63.4	-75.7	89	0	0	111.2	L28 H30 I34 M37 V67 A69	L28-M32 HydrophobicContact CB-SD 4.32Å; L28-M32 HydrophobicContact CD1-CG 3.91Å; L28-M32 HydrophobicContact CD1-SD 3.56Å; L28-M32 VanDerWaalsContact CD1-SD 3.56Å; H30-M32 WeakPolarHBondContact CE1-CE 3.4Å; H30-M32 WeakPolarHBondContact ND1-CE 3.11Å; H30-M32 WeakPolarHBondContact NE2-CE 3.23Å; M32-I34 VanDerWaalsContact C-N 3.33Å; M32-I34 HydrophobicContact CB-CG2 4.13Å; M32-I34 PolarHBondContact O-N 3.48Å; M32-I34 VanDerWaalsContact O-N 3.15Å; M32-M37 HydrophobicContact CB-SD 4.12Å; M32-M37 HydrophobicContact CG-SD 4.4Å; M32-M37 HydrophobicContact SD-SD 3.97Å; M32-V67 HydrophobicContact CB-CG1 4.27Å; M32-V67 HydrophobicContact CG-CG1 3.77Å; M32-V67 HydrophobicContact SD-CG1 4.31Å; M32-A69 PolarHBondContact N-O 3.04Å
33	E	86.4	Confident	86.8	Confident	129 Å²	129	60.8 Å²	60.8	60%	0.603	31%	0.311	S	S	*	.			trans	-85.9	77.6	168.6	-65.8	-166.4	-164.9	0	0	109.8	K35 L36 M37	E33-K35 PolarHBondContact O-N 2.87Å; E33-K35 VanDerWaalsContact O-N 3.08Å; E33-L36 HydrophobicContact CB-CB 4.27Å; E33-L36 HydrophobicContact CB-CD1 4.04Å; E33-L36 HydrophobicContact CB-CG 4.32Å; E33-L36 PolarHBondContact O-N 2.85Å; E33-L36 WeakPolarHBondContact OE2-CD1 3.07Å; E33-M37 PolarHBondContact O-N 3.06Å
34	I	86.6	Confident	86	Confident	10 Å²	10	58.2 Å²	58.2	5%	0.051	30%	0.299	C	S	.	.	H	α-helix	trans	-56.9	-27.2	-174.2	59.6	-178.9	0	0	0	114	M32 G38 Y46 D52 A54 A69	M32-I34 VanDerWaalsContact C-N 3.33Å; M32-I34 HydrophobicContact CB-CG2 4.13Å; M32-I34 PolarHBondContact O-N 3.48Å; M32-I34 VanDerWaalsContact O-N 3.15Å; I34-G38 PolarHBondContact O-N 3.18Å; I34-Y46 HydrophobicContact CB-CD2 4.37Å; I34-Y46 HydrophobicContact CB-CE2 4.34Å; I34-Y46 HydrophobicContact CD1-CD2 4.18Å; I34-Y46 HydrophobicContact CD1-CE2 3.37Å; I34-Y46 HydrophobicContact CG1-CD2 4.29Å; I34-Y46 HydrophobicContact CG1-CE2 3.79Å; I34-D52 WeakPolarHBondContact CD1-OD1 3.19Å; I34-A54 HydrophobicContact CB-CB 4.4Å; I34-A54 HydrophobicContact CG2-CB 4.49Å; I34-A69 HydrophobicContact CD1-CB 4.09Å; I34-A69 HydrophobicContact CG2-CB 4.45Å
35	K	84.4	Confident	85.5	Confident	154 Å²	154	65.5 Å²	65.5	67%	0.67	33%	0.33	S	S	*	.	H	α-helix	trans	-67	-43.6	174.8	-70.5	-178.8	179.5	178.7	0	112.2	E33 A39 Y46	E33-K35 PolarHBondContact O-N 2.87Å; E33-K35 VanDerWaalsContact O-N 3.08Å; K35-A39 PolarHBondContact O-N 2.99Å; K35-Y46 HydrophobicContact CG-CD1 4.25Å; K35-Y46 HydrophobicContact CG-CE1 3.69Å
36	L	83.7	Confident	84.8	Confident	76 Å²	76	66.9 Å²	66.9	40%	0.398	33%	0.332	S	S	.	.	H	α-helix	trans	-69.1	-41.2	175.2	-71.6	177.3	0	0	0	110.6	E33 G38 A39 E40 F100	E33-L36 HydrophobicContact CB-CB 4.27Å; E33-L36 HydrophobicContact CB-CD1 4.04Å; E33-L36 HydrophobicContact CB-CG 4.32Å; E33-L36 PolarHBondContact O-N 2.85Å; E33-L36 WeakPolarHBondContact OE2-CD1 3.07Å; L36-G38 VanDerWaalsContact C-N 3.32Å; L36-G38 PolarHBondContact O-N 2.93Å; L36-A39 PolarHBondContact O-N 3.42Å; L36-E40 PolarHBondContact O-N 3.12Å; L36-F100 HydrophobicContact CB-CZ 4.04Å
37	M	83.9	Confident	83.9	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-57.5	-44.2	176.9	-68.6	-176.6	67.2	0	0	112.4	M32 E33 A39 I41 M56 V67 I95 F100	M32-M37 HydrophobicContact CB-SD 4.12Å; M32-M37 HydrophobicContact CG-SD 4.4Å; M32-M37 HydrophobicContact SD-SD 3.97Å; E33-M37 PolarHBondContact O-N 3.06Å; M37-A39 PolarHBondContact O-N 2.84Å; M37-I41 HydrophobicContact CB-CD1 4.28Å; M37-I41 HydrophobicContact CE-CD1 3.92Å; M37-I41 HydrophobicContact CG-CD1 4.46Å; M37-I41 VanDerWaalsContact O-CB 3.3Å; M37-I41 WeakPolarHBondContact O-CB 3.43Å; M37-I41 WeakPolarHBondContact O-CG1 3.43Å; M37-I41 PolarHBondContact O-N 3.4Å; M37-M56 HydrophobicContact CE-SD 4.05Å; M37-V67 HydrophobicContact CE-CB 4.34Å; M37-V67 HydrophobicContact CE-CG1 4.07Å; M37-V67 HydrophobicContact CE-CG2 4.35Å; M37-V67 HydrophobicContact SD-CG1 4.05Å; M37-I95 HydrophobicContact CE-CD1 3.97Å; M37-I95 HydrophobicContact CE-CG1 3.85Å; M37-I95 HydrophobicContact CE-CG2 4.39Å; M37-F100 HydrophobicContact CB-CZ 4.48Å; M37-F100 HydrophobicContact CG-CD1 4.47Å; M37-F100 HydrophobicContact CG-CD2 4.34Å; M37-F100 HydrophobicContact CG-CE1 3.95Å; M37-F100 HydrophobicContact CG-CE2 3.83Å; M37-F100 HydrophobicContact CG-CZ 3.61Å
38	G	82.4	Confident	83	Confident	27 Å²	27	69.9 Å²	69.9	28%	0.278	36%	0.36	S	S	.	.	H	α-helix	trans	-68.2	-17.7	176.6	0	0	0	0	0	114.5	I34 L36	I34-G38 PolarHBondContact O-N 3.18Å; L36-G38 VanDerWaalsContact C-N 3.32Å; L36-G38 PolarHBondContact O-N 2.93Å
39	A	82	Confident	82.3	Confident	84 Å²	84	78 Å²	78	69%	0.694	40%	0.395	S	S	*	.	H	α-helix	trans	-91.6	-36.7	176.6	0	0	0	0	0	112.6	K35 L36 M37	K35-A39 PolarHBondContact O-N 2.99Å; L36-A39 PolarHBondContact O-N 3.42Å; M37-A39 PolarHBondContact O-N 2.84Å
40	E	81	Confident	82	Confident	89 Å²	89	86.6 Å²	86.6	42%	0.416	42%	0.417	S	S	.	.	H	α-helix	trans	-92	-32.3	-174.5	-67	-173	171.4	0	0	113.5	L36 F98	L36-E40 PolarHBondContact O-N 3.12Å; E40-F98 HydrophobicContact CB-CD1 4.42Å; E40-F98 WeakPolarHBondContact O-CD1 3.43Å; E40-F98 VanDerWaalsContact O-CE1 3.28Å; E40-F98 WeakPolarHBondContact O-CE1 3.42Å
41	I	82.5	Confident	81.9	Confident	2 Å²	2	87.1 Å²	87.1	1%	0.01	42%	0.421	C	S	.	.			trans	-98.1	111.5	-175.6	-51.1	179.7	0	0	0	109.4	M37 E43 A44 M56 I95 F98	M37-I41 HydrophobicContact CB-CD1 4.28Å; M37-I41 HydrophobicContact CE-CD1 3.92Å; M37-I41 HydrophobicContact CG-CD1 4.46Å; M37-I41 VanDerWaalsContact O-CB 3.3Å; M37-I41 WeakPolarHBondContact O-CB 3.43Å; M37-I41 WeakPolarHBondContact O-CG1 3.43Å; M37-I41 PolarHBondContact O-N 3.4Å; I41-E43 HydrophobicContact CG2-CB 4.33Å; I41-E43 PolarHBondContact O-N 2.87Å; I41-A44 HydrophobicContact CB-CB 3.72Å; I41-A44 HydrophobicContact CG2-CB 3.93Å; I41-A44 WeakPolarHBondContact O-CB 3.39Å; I41-A44 PolarHBondContact O-N 3.13Å; I41-M56 HydrophobicContact CD1-CE 4.26Å; I41-M56 HydrophobicContact CG2-CE 4.24Å; I41-I95 HydrophobicContact CD1-CG1 4.49Å; I41-F98 HydrophobicContact CB-CD2 4.38Å; I41-F98 HydrophobicContact CB-CE2 4.42Å; I41-F98 HydrophobicContact CD1-CD2 4.26Å; I41-F98 HydrophobicContact CG1-CB 4.14Å; I41-F98 HydrophobicContact CG1-CD2 3.65Å; I41-F98 HydrophobicContact CG1-CE2 4.17Å; I41-F98 HydrophobicContact CG1-CG 3.91Å; I41-F98 HydrophobicContact CG2-CD2 4.38Å; I41-F98 HydrophobicContact CG2-CE2 4.1Å
42	F	78.8	Confident	81.9	Confident	185 Å²	185	83.9 Å²	83.9	81%	0.811	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-35	179.4	-178.1	-99.1	0	0	0	113.1	A44	F42-A44 VanDerWaalsContact C-N 3.26Å; F42-A44 PolarHBondContact O-N 3.48Å
43	E	77.7	Confident	82.1	Confident	75 Å²	75	83.7 Å²	83.7	35%	0.35	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-9.8	176.7	-64	86.6	174.1	0	0	114.2	I41 M56 N57	I41-E43 HydrophobicContact CG2-CB 4.33Å; I41-E43 PolarHBondContact O-N 2.87Å; E43-M56 WeakPolarHBondContact O-CA 3.35Å; E43-N57 PolarHBondContact O-N 2.69Å; E43-N57 VanDerWaalsContact O-N 3.09Å
44	A	79	Confident	82.2	Confident	6 Å²	6	77.6 Å²	77.6	5%	0.05	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	123.4	-179.8	0	0	0	0	0	111.1	I41 F42 V55 M56	I41-A44 HydrophobicContact CB-CB 3.72Å; I41-A44 HydrophobicContact CG2-CB 3.93Å; I41-A44 WeakPolarHBondContact O-CB 3.39Å; I41-A44 PolarHBondContact O-N 3.13Å; F42-A44 VanDerWaalsContact C-N 3.26Å; F42-A44 PolarHBondContact O-N 3.48Å; A44-V55 CarbonylContact C-O 3.52Å; A44-V55 WeakPolarHBondContact CA-O 3.16Å; A44-M56 HydrophobicContact CB-CG 3.91Å
45	K	83.9	Confident	82.5	Confident	153 Å²	153	78.5 Å²	78.5	67%	0.665	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.7	123.2	169.5	-64.8	-174	178.4	-172.5	0	108.6	V55	K45-V55 PolarHBondContact N-O 3.32Å; K45-V55 PolarHBondContact O-N 3.4Å
46	Y	81.6	Confident	82.8	Confident	53 Å²	53	71.2 Å²	71.2	21%	0.208	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	119.6	171.5	179.1	-113.5	0	0	0	109.4	I34 K35 S48 D52	I34-Y46 HydrophobicContact CB-CD2 4.37Å; I34-Y46 HydrophobicContact CB-CE2 4.34Å; I34-Y46 HydrophobicContact CD1-CD2 4.18Å; I34-Y46 HydrophobicContact CD1-CE2 3.37Å; I34-Y46 HydrophobicContact CG1-CD2 4.29Å; I34-Y46 HydrophobicContact CG1-CE2 3.79Å; K35-Y46 HydrophobicContact CG-CD1 4.25Å; K35-Y46 HydrophobicContact CG-CE1 3.69Å; Y46-S48 WeakPolarHBondContact OH-CB 3.45Å; Y46-S48 PolarHBondContact OH-OG 3.2Å; Y46-D52 PolarHBondContact OH-OD1 2.95Å
47	D	75.8	Confident	83.3	Confident	85 Å²	85	70.2 Å²	70.2	46%	0.455	35%	0.352	S	S	.	.			trans	-132.7	94.9	172	-176.9	3.5	0	0	0	109.2	K49 R50 I51	D47-K49 PolarHBondContact O-N 2.97Å; D47-K49 VanDerWaalsContact O-N 3.08Å; D47-K49 WeakPolarHBondContact OD1-CB 3.31Å; D47-K49 PolarHBondContact OD1-N 3.39Å; D47-R50 HydrophobicContact CB-CB 4.34Å; D47-R50 PolarHBondContact O-N 3.36Å; D47-I51 PolarHBondContact O-N 3.06Å
48	S	76	Confident	83.6	Confident	75 Å²	75	71.4 Å²	71.4	52%	0.524	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-23.9	179.3	-175	0	0	0	0	112.9	Y46 R50	Y46-S48 WeakPolarHBondContact OH-CB 3.45Å; Y46-S48 PolarHBondContact OH-OG 3.2Å; S48-R50 VanDerWaalsContact C-N 3.3Å; S48-R50 PolarHBondContact O-N 2.78Å
49	K	77.1	Confident	84	Confident	172 Å²	172	81.2 Å²	81.2	75%	0.748	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-20.3	177.9	-62.5	-175.7	177.7	-176.6	0	113.2	D47 R440	D47-K49 PolarHBondContact O-N 2.97Å; D47-K49 VanDerWaalsContact O-N 3.08Å; D47-K49 WeakPolarHBondContact OD1-CB 3.31Å; D47-K49 PolarHBondContact OD1-N 3.39Å; K49-R440 PolarHBondContact O-NH2 3.4Å
50	R	80	Confident	84.2	Confident	213 Å²	213	82.3 Å²	82.3	80%	0.804	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108	-48.8	-175.8	-162.1	179.7	-178.2	-174.9	2.4	111.9	D47 S48	D47-R50 HydrophobicContact CB-CB 4.34Å; D47-R50 PolarHBondContact O-N 3.36Å; S48-R50 VanDerWaalsContact C-N 3.3Å; S48-R50 PolarHBondContact O-N 2.78Å
51	I	83.2	Confident	84.7	Confident	71 Å²	71	78.7 Å²	78.7	36%	0.364	37%	0.365	S	S	.	.			trans	-149.8	131.2	-179.4	-54.3	179.8	0	0	0	108.6	D47 A53	D47-I51 PolarHBondContact O-N 3.06Å; I51-A53 HydrophobicContact CG2-CB 3.79Å; I51-A53 PolarHBondContact O-N 3.14Å
52	D	87.8	Confident	85.1	Confident	98 Å²	98	86.4 Å²	86.4	52%	0.524	40%	0.401	S	S	.	.	S	Bend	trans	-79.6	50.5	174.5	-163.3	29.7	0	0	0	112.7	I34 Y46	I34-D52 WeakPolarHBondContact CD1-OD1 3.19Å; Y46-D52 PolarHBondContact OH-OD1 2.95Å
53	A	89.7	Confident	85.9	Confident	1 Å²	1	77.8 Å²	77.8	1%	0.008	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	147.3	178.7	0	0	0	0	0	109.8	I51 V55 L66 V67 Y68	I51-A53 HydrophobicContact CG2-CB 3.79Å; I51-A53 PolarHBondContact O-N 3.14Å; A53-V55 PolarHBondContact O-N 3.45Å; A53-L66 HydrophobicContact CB-CB 4.31Å; A53-V67 CarbonylContact C-O 3.52Å; A53-V67 VanDerWaalsContact CA-O 3.31Å; A53-V67 WeakPolarHBondContact CA-O 3.31Å; A53-Y68 HydrophobicContact CB-CD1 3.77Å; A53-Y68 HydrophobicContact CB-CE1 3.82Å; A53-Y68 HydrophobicContact CB-CG 4.24Å
54	A	90.2	Very high	86.7	Confident	0 Å²	0	78.6 Å²	78.6	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	121.7	170.5	0	0	0	0	0	109.5	I34 V67	I34-A54 HydrophobicContact CB-CB 4.4Å; I34-A54 HydrophobicContact CG2-CB 4.49Å; A54-V67 HydrophobicContact CB-CB 4.37Å; A54-V67 PolarHBondContact N-O 2.82Å; A54-V67 PolarHBondContact O-N 3.28Å
55	V	92.2	Very high	87.4	Confident	30 Å²	30	78.3 Å²	78.3	18%	0.182	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	104.7	178.4	-173.8	0	0	0	0	109	A44 K45 A53 L66	A44-V55 CarbonylContact C-O 3.52Å; A44-V55 WeakPolarHBondContact CA-O 3.16Å; K45-V55 PolarHBondContact N-O 3.32Å; K45-V55 PolarHBondContact O-N 3.4Å; A53-V55 PolarHBondContact O-N 3.45Å; V55-L66 HydrophobicContact CB-CD2 4.34Å; V55-L66 HydrophobicContact CG1-CD2 4.22Å; V55-L66 HydrophobicContact CG2-CD2 3.77Å
56	M	91.4	Very high	87.9	Confident	0 Å²	0	72.2 Å²	72.2	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	133.6	176.7	-62.1	-177	69.1	0	0	110.7	M37 I41 E43 A44 K64 A65 V67 L94 I95	M37-M56 HydrophobicContact CE-SD 4.05Å; I41-M56 HydrophobicContact CD1-CE 4.26Å; I41-M56 HydrophobicContact CG2-CE 4.24Å; E43-M56 WeakPolarHBondContact O-CA 3.35Å; A44-M56 HydrophobicContact CB-CG 3.91Å; M56-K64 CarbonylContact O-C 3.52Å; M56-K64 VanDerWaalsContact O-CA 3.29Å; M56-K64 WeakPolarHBondContact O-CA 3.19Å; M56-A65 HydrophobicContact CB-CB 4.34Å; M56-A65 PolarHBondContact N-O 2.78Å; M56-A65 PolarHBondContact O-N 3.3Å; M56-V67 HydrophobicContact CG-CG2 4.48Å; M56-V67 HydrophobicContact SD-CG2 3.85Å; M56-L94 HydrophobicContact CE-CB 4.21Å; M56-I95 HydrophobicContact CE-CD1 4.48Å; M56-I95 HydrophobicContact CE-CG1 3.82Å; M56-I95 HydrophobicContact SD-CD1 3.93Å; M56-I95 HydrophobicContact SD-CG1 3.82Å
57	N	92.2	Very high	88.5	Confident	55 Å²	55	69.7 Å²	69.7	29%	0.294	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	135.1	175.9	-56.6	-78.4	0	0	0	110.8	E43 K64	E43-N57 PolarHBondContact O-N 2.69Å; E43-N57 VanDerWaalsContact O-N 3.09Å; N57-K64 WeakPolarHBondContact OD1-CD 3.05Å; N57-K64 VanDerWaalsContact OD1-CE 3.22Å; N57-K64 WeakPolarHBondContact OD1-CE 3.48Å; N57-K64 WeakPolarHBondContact OD1-CG 3.27Å
58	L	91.7	Very high	89.3	Confident	25 Å²	25	69.6 Å²	69.6	13%	0.131	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	136.9	173.1	-172.6	70.7	0	0	0	109	D60 Q62 T63 A87 R90 L94	L58-D60 WeakPolarHBondContact CD2-O 3.2Å; L58-D60 WeakPolarHBondContact CG-O 3.29Å; L58-Q62 WeakPolarHBondContact O-CA 3.49Å; L58-T63 WeakPolarHBondContact CB-OG1 3.43Å; L58-T63 PolarHBondContact N-O 2.72Å; L58-T63 PolarHBondContact O-N 2.78Å; L58-A87 HydrophobicContact CD2-CB 4.33Å; L58-R90 HydrophobicContact CD1-CB 4.38Å; L58-R90 HydrophobicContact CD2-CB 3.66Å; L58-R90 HydrophobicContact CD2-CG 4.45Å; L58-L94 HydrophobicContact CD1-CD1 3.79Å
59	R	90.1	Very high	90	Very high	233 Å²	233	67.5 Å²	67.5	88%	0.879	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-35.3	-177.8	-66	-176.9	-174.3	173	2.3	113.2	P61 Q62	R59-P61 CarbonylContact O-C 3.5Å; R59-Q62 WeakPolarHBondContact O-CA 3.2Å; R59-Q62 PolarHBondContact O-N 3.13Å; R59-Q62 VanDerWaalsContact O-N 3.14Å
60	D	87.1	Confident	90.7	Very high	107 Å²	107	63.7 Å²	63.7	57%	0.572	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.3	115.6	-179.6	177.6	35.9	0	0	0	109.4	L58 R90	L58-D60 WeakPolarHBondContact CD2-O 3.2Å; L58-D60 WeakPolarHBondContact CG-O 3.29Å; D60-R90 PolarHBondContact O-NH1 3.38Å; D60-R90 IonicContact OD1-NH1 3.89Å; D60-R90 IonicContact OD2-CZ 2.91Å; D60-R90 IonicContact OD2-NH1 3.61Å; D60-R90 PolarHBondContact OD2-NH1 3.21Å; D60-R90 IonicContact OD2-NH2 3.84Å
61	P	89.9	Confident	91.2	Very high	14 Å²	14	53.6 Å²	53.6	9%	0.091	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	cis	-60.9	153.5	-20.6	30.3	-35.5	0	0	0	110.4	R59 T63 Q83 A87	R59-P61 CarbonylContact O-C 3.5Å; P61-T63 HydrophobicContact CB-CG2 4.2Å; P61-T63 HydrophobicContact CG-CG2 3.92Å; P61-T63 PolarHBondContact O-N 2.87Å; P61-T63 PolarHBondContact O-OG1 2.88Å; P61-Q83 HydrophobicContact CG-CB 4.48Å; P61-A87 HydrophobicContact CG-CB 3.86Å
62	Q	92.4	Very high	91.7	Very high	164 Å²	164	52.1 Å²	52.1	77%	0.766	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	94.7	179.9	-172.8	-177.4	-4.4	0	0	110.1	L58 R59	L58-Q62 WeakPolarHBondContact O-CA 3.49Å; R59-Q62 WeakPolarHBondContact O-CA 3.2Å; R59-Q62 PolarHBondContact O-N 3.13Å; R59-Q62 VanDerWaalsContact O-N 3.14Å
63	T	95	Very high	92	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.018	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	158.3	-170	47.8	0	0	0	0	110.1	L58 P61 Y76 A78 A87	L58-T63 WeakPolarHBondContact CB-OG1 3.43Å; L58-T63 PolarHBondContact N-O 2.72Å; L58-T63 PolarHBondContact O-N 2.78Å; P61-T63 HydrophobicContact CB-CG2 4.2Å; P61-T63 HydrophobicContact CG-CG2 3.92Å; P61-T63 PolarHBondContact O-N 2.87Å; P61-T63 PolarHBondContact O-OG1 2.88Å; T63-Y76 WeakPolarHBondContact CA-O 3.29Å; T63-A78 HydrophobicContact CG2-CB 4.03Å; T63-A87 HydrophobicContact CG2-CB 3.78Å; T63-A87 WeakPolarHBondContact OG1-CB 3.31Å
64	K	94.1	Very high	92.3	Very high	93 Å²	93	49.1 Å²	49.1	40%	0.404	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	138.3	176.5	-62.3	-169.3	177.7	-170.8	0	108.7	M56 N57 C75 Y76	M56-K64 CarbonylContact O-C 3.52Å; M56-K64 VanDerWaalsContact O-CA 3.29Å; M56-K64 WeakPolarHBondContact O-CA 3.19Å; N57-K64 WeakPolarHBondContact OD1-CD 3.05Å; N57-K64 VanDerWaalsContact OD1-CE 3.22Å; N57-K64 WeakPolarHBondContact OD1-CE 3.48Å; N57-K64 WeakPolarHBondContact OD1-CG 3.27Å; K64-C75 CarbonylContact O-C 3.52Å; K64-C75 WeakPolarHBondContact O-CA 3.19Å; K64-Y76 HydrophobicContact CB-CD1 4.32Å; K64-Y76 HydrophobicContact CB-CD2 4.31Å; K64-Y76 HydrophobicContact CB-CE1 3.76Å; K64-Y76 HydrophobicContact CB-CE2 3.75Å; K64-Y76 VanDerWaalsContact CB-CZ 3.45Å; K64-Y76 HydrophobicContact CD-CE2 3.89Å; K64-Y76 WeakPolarHBondContact CD-OH 3.5Å; K64-Y76 HydrophobicContact CG-CE2 4.21Å; K64-Y76 PolarHBondContact N-O 2.61Å; K64-Y76 WeakPolarHBondContact O-CD1 3.23Å; K64-Y76 PolarHBondContact O-N 2.72Å
65	A	94.6	Very high	92.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	134.9	172.7	0	0	0	0	0	110.5	M56 M73 V74 H91	M56-A65 HydrophobicContact CB-CB 4.34Å; M56-A65 PolarHBondContact N-O 2.78Å; M56-A65 PolarHBondContact O-N 3.3Å; A65-M73 HydrophobicContact CB-CG 3.97Å; A65-M73 HydrophobicContact CB-SD 4.09Å; A65-V74 CarbonylContact C-O 3.54Å; A65-V74 VanDerWaalsContact CA-O 3.25Å; A65-V74 WeakPolarHBondContact CA-O 3.36Å; A65-H91 HydrophobicContact CB-CB 4.43Å
66	L	93.9	Very high	92.6	Very high	24 Å²	24	51.1 Å²	51.1	13%	0.126	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	117.2	168.3	-55.8	175.3	0	0	0	107.6	A53 V55 Y68 M73 V74 Y76	A53-L66 HydrophobicContact CB-CB 4.31Å; V55-L66 HydrophobicContact CB-CD2 4.34Å; V55-L66 HydrophobicContact CG1-CD2 4.22Å; V55-L66 HydrophobicContact CG2-CD2 3.77Å; L66-Y68 HydrophobicContact CB-CE2 4.1Å; L66-M73 CarbonylContact O-C 3.59Å; L66-M73 VanDerWaalsContact O-CA 3.28Å; L66-M73 WeakPolarHBondContact O-CA 3.48Å; L66-V74 HydrophobicContact CB-CB 4.44Å; L66-V74 PolarHBondContact N-O 3.01Å; L66-V74 PolarHBondContact O-N 3.33Å; L66-Y76 HydrophobicContact CD1-CE1 4.15Å; L66-Y76 HydrophobicContact CD2-CE1 4.27Å; L66-Y76 HydrophobicContact CG-CE1 3.9Å
67	V	93.4	Very high	92.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	115	176.2	-179.9	0	0	0	0	108.9	L28 M32 M37 A53 A54 M56 M73 I95	L28-V67 HydrophobicContact CD1-CG1 3.55Å; L28-V67 HydrophobicContact CD1-CG2 4.32Å; M32-V67 HydrophobicContact CB-CG1 4.27Å; M32-V67 HydrophobicContact CG-CG1 3.77Å; M32-V67 HydrophobicContact SD-CG1 4.31Å; M37-V67 HydrophobicContact CE-CB 4.34Å; M37-V67 HydrophobicContact CE-CG1 4.07Å; M37-V67 HydrophobicContact CE-CG2 4.35Å; M37-V67 HydrophobicContact SD-CG1 4.05Å; A53-V67 CarbonylContact C-O 3.52Å; A53-V67 VanDerWaalsContact CA-O 3.31Å; A53-V67 WeakPolarHBondContact CA-O 3.31Å; A54-V67 HydrophobicContact CB-CB 4.37Å; A54-V67 PolarHBondContact N-O 2.82Å; A54-V67 PolarHBondContact O-N 3.28Å; M56-V67 HydrophobicContact CG-CG2 4.48Å; M56-V67 HydrophobicContact SD-CG2 3.85Å; V67-M73 HydrophobicContact CG2-CB 4.43Å; V67-M73 HydrophobicContact CG2-CG 4.04Å; V67-M73 HydrophobicContact CG2-SD 4.45Å; V67-I95 HydrophobicContact CG2-CD1 4.27Å
68	Y	92.8	Very high	92.8	Very high	84 Å²	84	50.1 Å²	50.1	33%	0.329	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	155.5	179.1	-67.1	-84.4	0	0	0	111.3	A53 L66 N70 G71 T72 V74	A53-Y68 HydrophobicContact CB-CD1 3.77Å; A53-Y68 HydrophobicContact CB-CE1 3.82Å; A53-Y68 HydrophobicContact CB-CG 4.24Å; L66-Y68 HydrophobicContact CB-CE2 4.1Å; Y68-N70 WeakPolarHBondContact CB-OD1 3.21Å; Y68-N70 PolarHBondContact O-N 3.39Å; Y68-N70 VanDerWaalsContact O-N 3.13Å; Y68-G71 PolarHBondContact O-N 2.74Å; Y68-T72 WeakPolarHBondContact CD2-O 3.26Å; Y68-T72 PolarHBondContact N-O 3.44Å; Y68-V74 HydrophobicContact CE2-CG2 3.93Å
69	A	90.7	Very high	92.9	Very high	31 Å²	31	55.4 Å²	55.4	26%	0.256	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-30	178.4	0	0	0	0	0	113.3	K31 M32 I34 G71	K31-A69 WeakPolarHBondContact CG-O 3.24Å; M32-A69 PolarHBondContact N-O 3.04Å; I34-A69 HydrophobicContact CD1-CB 4.09Å; I34-A69 HydrophobicContact CG2-CB 4.45Å; A69-G71 PolarHBondContact O-N 2.96Å
70	N	91.4	Very high	93	Very high	92 Å²	92	46.7 Å²	46.7	49%	0.492	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-7.8	178.1	70.7	-13.3	0	0	0	113.8	Y27 Y68 T72	Y27-N70 WeakPolarHBondContact CE2-O 3.28Å; Y68-N70 WeakPolarHBondContact CB-OD1 3.21Å; Y68-N70 PolarHBondContact O-N 3.39Å; Y68-N70 VanDerWaalsContact O-N 3.13Å; N70-T72 PolarHBondContact ND2-OG1 3.14Å; N70-T72 VanDerWaalsContact ND2-OG1 3.09Å; N70-T72 WeakPolarHBondContact OD1-CB 3.41Å; N70-T72 PolarHBondContact OD1-N 3.33Å; N70-T72 PolarHBondContact OD1-OG1 2.73Å
71	G	90.6	Very high	93.3	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.229	C	C	.	.	S	Bend	trans	93.2	1	-176.3	0	0	0	0	0	114.7	L28 H30 Y68 A69	L28-G71 VanDerWaalsContact CB-O 3.31Å; L28-G71 WeakPolarHBondContact CB-O 3.43Å; L28-G71 WeakPolarHBondContact CG-O 3.3Å; L28-G71 PolarHBondContact N-O 3.16Å; H30-G71 WeakPolarHBondContact O-CA 3.26Å; Y68-G71 PolarHBondContact O-N 2.74Å; A69-G71 PolarHBondContact O-N 2.96Å
72	T	94.1	Very high	93.5	Very high	41 Å²	41	52.6 Å²	52.6	25%	0.252	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	132.1	171.1	-55.4	0	0	0	0	109.9	Y68 N70 V74	Y68-T72 WeakPolarHBondContact CD2-O 3.26Å; Y68-T72 PolarHBondContact N-O 3.44Å; N70-T72 PolarHBondContact ND2-OG1 3.14Å; N70-T72 VanDerWaalsContact ND2-OG1 3.09Å; N70-T72 WeakPolarHBondContact OD1-CB 3.41Å; N70-T72 PolarHBondContact OD1-N 3.33Å; N70-T72 PolarHBondContact OD1-OG1 2.73Å; T72-V74 HydrophobicContact CG2-CG2 4.31Å
73	M	94.3	Very high	93.6	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	127	171.6	-178.2	178.3	65.9	0	0	109.3	S25 A26 L28 A65 L66 V67 A88 H91 V92	S25-M73 CarbonylContact C-O 3.59Å; S25-M73 VanDerWaalsContact CA-O 3.26Å; S25-M73 WeakPolarHBondContact CA-O 3.27Å; A26-M73 HydrophobicContact CB-CE 4.08Å; A26-M73 PolarHBondContact N-O 3Å; A26-M73 PolarHBondContact O-N 2.71Å; L28-M73 HydrophobicContact CD1-CB 4.27Å; L28-M73 HydrophobicContact CD2-CB 4.06Å; L28-M73 HydrophobicContact CD2-CE 4.23Å; L28-M73 HydrophobicContact CD2-SD 4.12Å; L28-M73 HydrophobicContact CG-CB 4.08Å; A65-M73 HydrophobicContact CB-CG 3.97Å; A65-M73 HydrophobicContact CB-SD 4.09Å; L66-M73 CarbonylContact O-C 3.59Å; L66-M73 VanDerWaalsContact O-CA 3.28Å; L66-M73 WeakPolarHBondContact O-CA 3.48Å; V67-M73 HydrophobicContact CG2-CB 4.43Å; V67-M73 HydrophobicContact CG2-CG 4.04Å; V67-M73 HydrophobicContact CG2-SD 4.45Å; M73-A88 HydrophobicContact CE-CB 3.85Å; M73-H91 HydrophobicContact CE-CB 4.44Å; M73-H91 HydrophobicContact SD-CB 3.72Å; M73-V92 HydrophobicContact CE-CG2 4.05Å
74	V	95.6	Very high	93.6	Very high	33 Å²	33	47.4 Å²	47.4	20%	0.2	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	116.4	174.1	179.2	0	0	0	0	109	I23 S24 A65 L66 Y68 T72	I23-V74 HydrophobicContact CG2-CG1 3.94Å; S24-V74 CarbonylContact O-C 3.5Å; S24-V74 WeakPolarHBondContact O-CA 3.45Å; A65-V74 CarbonylContact C-O 3.54Å; A65-V74 VanDerWaalsContact CA-O 3.25Å; A65-V74 WeakPolarHBondContact CA-O 3.36Å; L66-V74 HydrophobicContact CB-CB 4.44Å; L66-V74 PolarHBondContact N-O 3.01Å; L66-V74 PolarHBondContact O-N 3.33Å; Y68-V74 HydrophobicContact CE2-CG2 3.93Å; T72-V74 HydrophobicContact CG2-CG2 4.31Å
75	C	95.1	Very high	93.6	Very high	1 Å²	1	48 Å²	48	1%	0.007	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	135.7	179.4	-172.1	0	0	0	0	110.6	I23 S24 K64	I23-C75 WeakPolarHBondContact CA-O 3.03Å; S24-C75 PolarHBondContact N-O 3.26Å; S24-C75 PolarHBondContact O-N 3.07Å; K64-C75 CarbonylContact O-C 3.52Å; K64-C75 WeakPolarHBondContact O-CA 3.19Å
76	Y	95.2	Very high	93.6	Very high	71 Å²	71	50 Å²	50	28%	0.278	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	162.9	176.2	64	-85.6	0	0	0	111.7	T63 K64 L66	T63-Y76 WeakPolarHBondContact CA-O 3.29Å; K64-Y76 HydrophobicContact CB-CD1 4.32Å; K64-Y76 HydrophobicContact CB-CD2 4.31Å; K64-Y76 HydrophobicContact CB-CE1 3.76Å; K64-Y76 HydrophobicContact CB-CE2 3.75Å; K64-Y76 VanDerWaalsContact CB-CZ 3.45Å; K64-Y76 HydrophobicContact CD-CE2 3.89Å; K64-Y76 WeakPolarHBondContact CD-OH 3.5Å; K64-Y76 HydrophobicContact CG-CE2 4.21Å; K64-Y76 PolarHBondContact N-O 2.61Å; K64-Y76 WeakPolarHBondContact O-CD1 3.23Å; K64-Y76 PolarHBondContact O-N 2.72Å; L66-Y76 HydrophobicContact CD1-CE1 4.15Å; L66-Y76 HydrophobicContact CD2-CE1 4.27Å; L66-Y76 HydrophobicContact CG-CE1 3.9Å
77	G	93.3	Very high	93.7	Very high	33 Å²	33	48.9 Å²	48.9	34%	0.34	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	102.1	-6.2	-179.1	0	0	0	0	0	114.4	N21	N21-G77 VanDerWaalsContact OD1-CA 3.29Å; N21-G77 WeakPolarHBondContact OD1-CA 3.38Å; N21-G77 PolarHBondContact OD1-N 3.05Å
78	A	94.6	Very high	93.7	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.008	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	146.3	175.6	0	0	0	0	0	110.7	N21 V22 T63 Q83	N21-A78 CarbonylContact C-O 3.54Å; N21-A78 WeakPolarHBondContact CA-O 3.26Å; V22-A78 HydrophobicContact CB-CB 4.37Å; V22-A78 PolarHBondContact N-O 3.45Å; T63-A78 HydrophobicContact CG2-CB 4.03Å; A78-Q83 HydrophobicContact CB-CB 3.99Å
79	K	92.4	Very high	93.8	Very high	137 Å²	137	47 Å²	47	60%	0.596	24%	0.238	S	C	*	.	S	Bend	trans	-94.5	-13.1	177.9	-63	-175.9	-179.1	-178.7	0	113.5	V19 Q83	V19-K79 WeakPolarHBondContact CB-O 3.32Å; V19-K79 WeakPolarHBondContact CG1-O 3.49Å; K79-Q83 VanDerWaalsContact N-OE1 3.15Å
80	T	93.6	Very high	93.9	Very high	50 Å²	50	49.2 Å²	49.2	31%	0.307	24%	0.24	S	C	.	.	S	Bend	trans	-140.3	157.9	178.4	68.9	0	0	0	0	109.9	W82 Q83 S84	T80-W82 VanDerWaalsContact C-N 3.32Å; T80-W82 PolarHBondContact O-N 2.86Å; T80-Q83 PolarHBondContact O-N 3.4Å; T80-Q83 WeakPolarHBondContact OG1-CB 3.38Å; T80-Q83 VanDerWaalsContact OG1-CG 3.27Å; T80-Q83 WeakPolarHBondContact OG1-CG 3.23Å; T80-Q83 PolarHBondContact OG1-N 2.74Å; T80-Q83 VanDerWaalsContact OG1-N 3.17Å; T80-S84 PolarHBondContact O-N 3.49Å
81	E	92.5	Very high	94	Very high	71 Å²	71	44.8 Å²	44.8	33%	0.332	22%	0.216	S	C	.	.	H	α-helix	trans	-59.7	-44.1	177.9	-63.4	175.2	-178.7	0	0	111.3	V22 Q83 S84 E85 V109 E172	V22-E81 HydrophobicContact CG1-CG 4.44Å; E81-Q83 PolarHBondContact O-N 3.18Å; E81-S84 WeakPolarHBondContact O-CA 3.16Å; E81-S84 VanDerWaalsContact O-CB 3.27Å; E81-S84 WeakPolarHBondContact O-CB 3.26Å; E81-S84 PolarHBondContact O-N 3.41Å; E81-E85 PolarHBondContact O-N 2.77Å; E81-V109 HydrophobicContact CB-CG2 4.47Å; E81-V109 HydrophobicContact CG-CG2 4.26Å; E81-E172 PolarHBondContact OE1-N 2.96Å
82	W	93.5	Very high	94.1	Very high	174 Å²	174	45.3 Å²	45.3	66%	0.659	22%	0.219	S	C	*	.	H	α-helix	trans	-59.7	-41.8	175.4	179.4	82	0	0	0	113	T80 S84 E85 L86	T80-W82 VanDerWaalsContact C-N 3.32Å; T80-W82 PolarHBondContact O-N 2.86Å; W82-S84 VanDerWaalsContact C-N 3.27Å; W82-S84 PolarHBondContact O-N 3.07Å; W82-E85 PolarHBondContact O-N 3.42Å; W82-L86 HydrophobicContact CH2-CD2 3.71Å; W82-L86 HydrophobicContact CZ2-CD2 4.17Å; W82-L86 HydrophobicContact CZ3-CD2 3.98Å; W82-L86 WeakPolarHBondContact O-CB 3.3Å; W82-L86 PolarHBondContact O-N 3.31Å
83	Q	94.4	Very high	93.9	Very high	58 Å²	58	50.9 Å²	50.9	27%	0.271	24%	0.236	S	C	.	.	H	α-helix	trans	-63.8	-35.5	174.8	-77.9	176.8	8.2	0	0	111.5	P61 A78 K79 T80 E81 A87	P61-Q83 HydrophobicContact CG-CB 4.48Å; A78-Q83 HydrophobicContact CB-CB 3.99Å; K79-Q83 VanDerWaalsContact N-OE1 3.15Å; T80-Q83 PolarHBondContact O-N 3.4Å; T80-Q83 WeakPolarHBondContact OG1-CB 3.38Å; T80-Q83 VanDerWaalsContact OG1-CG 3.27Å; T80-Q83 WeakPolarHBondContact OG1-CG 3.23Å; T80-Q83 PolarHBondContact OG1-N 2.74Å; T80-Q83 VanDerWaalsContact OG1-N 3.17Å; E81-Q83 PolarHBondContact O-N 3.18Å; Q83-A87 VanDerWaalsContact O-CB 3.23Å; Q83-A87 WeakPolarHBondContact O-CB 3.29Å; Q83-A87 PolarHBondContact O-N 3.43Å
84	S	95	Very high	93.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-66.8	-43.7	178.3	-159.9	0	0	0	0	111.7	S24 T80 E81 W82 A87 A88	S24-S84 WeakPolarHBondContact CB-OG 3.38Å; S24-S84 PolarHBondContact OG-OG 3.42Å; T80-S84 PolarHBondContact O-N 3.49Å; E81-S84 WeakPolarHBondContact O-CA 3.16Å; E81-S84 VanDerWaalsContact O-CB 3.27Å; E81-S84 WeakPolarHBondContact O-CB 3.26Å; E81-S84 PolarHBondContact O-N 3.41Å; W82-S84 VanDerWaalsContact C-N 3.27Å; W82-S84 PolarHBondContact O-N 3.07Å; S84-A87 WeakPolarHBondContact O-CB 3.42Å; S84-A87 PolarHBondContact O-N 3.27Å; S84-A88 WeakPolarHBondContact O-CB 3.4Å; S84-A88 PolarHBondContact O-N 3.2Å
85	E	94.8	Very high	93.4	Very high	105 Å²	105	50.3 Å²	50.3	49%	0.491	23%	0.231	S	C	.	.	H	α-helix	trans	-65.3	-43.7	176.1	-171.1	-176.5	-178.7	0	0	112.1	E81 W82 A87 A88 T89 F107	E81-E85 PolarHBondContact O-N 2.77Å; W82-E85 PolarHBondContact O-N 3.42Å; E85-A87 VanDerWaalsContact C-N 3.33Å; E85-A87 PolarHBondContact O-N 3.03Å; E85-A88 PolarHBondContact O-N 3.22Å; E85-T89 PolarHBondContact O-N 3.28Å; E85-T89 PolarHBondContact O-OG1 2.98Å; E85-F107 VanDerWaalsContact CA-CZ 3.43Å; E85-F107 HydrophobicContact CB-CD1 4.42Å; E85-F107 HydrophobicContact CB-CE1 3.79Å; E85-F107 HydrophobicContact CB-CE2 4.28Å; E85-F107 HydrophobicContact CB-CZ 3.71Å; E85-F107 HydrophobicContact CG-CD1 4.18Å; E85-F107 HydrophobicContact CG-CE1 4.05Å; E85-F107 HydrophobicContact CG-CZ 4.28Å
86	L	94.7	Very high	93.1	Very high	42 Å²	42	53.6 Å²	53.6	22%	0.22	25%	0.249	C	C	.	.	H	α-helix	trans	-60.9	-43.2	174.4	-179.9	62.8	0	0	0	111.3	W82 T89 R90	W82-L86 HydrophobicContact CH2-CD2 3.71Å; W82-L86 HydrophobicContact CZ2-CD2 4.17Å; W82-L86 HydrophobicContact CZ3-CD2 3.98Å; W82-L86 WeakPolarHBondContact O-CB 3.3Å; W82-L86 PolarHBondContact O-N 3.31Å; L86-T89 PolarHBondContact O-N 3.42Å; L86-R90 HydrophobicContact CD1-CG 4.47Å; L86-R90 WeakPolarHBondContact O-CB 3.46Å; L86-R90 VanDerWaalsContact O-CG 3.29Å; L86-R90 WeakPolarHBondContact O-CG 3.29Å; L86-R90 PolarHBondContact O-N 3.41Å
87	A	95.4	Very high	92.8	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62.4	-47.7	177	0	0	0	0	0	111.8	L58 P61 T63 Q83 S84 E85 T89 R90 H91	L58-A87 HydrophobicContact CD2-CB 4.33Å; P61-A87 HydrophobicContact CG-CB 3.86Å; T63-A87 HydrophobicContact CG2-CB 3.78Å; T63-A87 WeakPolarHBondContact OG1-CB 3.31Å; Q83-A87 VanDerWaalsContact O-CB 3.23Å; Q83-A87 WeakPolarHBondContact O-CB 3.29Å; Q83-A87 PolarHBondContact O-N 3.43Å; S84-A87 WeakPolarHBondContact O-CB 3.42Å; S84-A87 PolarHBondContact O-N 3.27Å; E85-A87 VanDerWaalsContact C-N 3.33Å; E85-A87 PolarHBondContact O-N 3.03Å; A87-T89 VanDerWaalsContact C-N 3.3Å; A87-T89 PolarHBondContact O-N 2.81Å; A87-R90 PolarHBondContact O-N 3.25Å; A87-R90 VanDerWaalsContact O-N 3.12Å; A87-H91 PolarHBondContact O-CD2 3.42Å; A87-H91 PolarHBondContact O-N 2.89Å
88	A	94.8	Very high	92.3	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.008	27%	0.266	C	S	.	.	H	α-helix	trans	-57.4	-45.2	176.5	0	0	0	0	0	111.2	M73 S84 E85 R90 H91 V92 F107	M73-A88 HydrophobicContact CE-CB 3.85Å; S84-A88 WeakPolarHBondContact O-CB 3.4Å; S84-A88 PolarHBondContact O-N 3.2Å; E85-A88 PolarHBondContact O-N 3.22Å; A88-R90 PolarHBondContact O-N 3.43Å; A88-H91 PolarHBondContact O-N 3.4Å; A88-V92 WeakPolarHBondContact O-CG2 3.39Å; A88-V92 PolarHBondContact O-N 3.48Å; A88-F107 HydrophobicContact CB-CD2 3.84Å; A88-F107 HydrophobicContact CB-CE2 3.73Å
89	T	93.8	Very high	91.3	Very high	45 Å²	45	68 Å²	68	28%	0.276	31%	0.306	S	S	.	.	H	α-helix	trans	-63.8	-39.4	176.5	-58.2	0	0	0	0	112.2	E85 L86 A87 V92 R93	E85-T89 PolarHBondContact O-N 3.28Å; E85-T89 PolarHBondContact O-OG1 2.98Å; L86-T89 PolarHBondContact O-N 3.42Å; A87-T89 VanDerWaalsContact C-N 3.3Å; A87-T89 PolarHBondContact O-N 2.81Å; T89-V92 PolarHBondContact O-N 3.13Å; T89-R93 WeakPolarHBondContact O-CG 3.41Å; T89-R93 PolarHBondContact O-N 3.4Å
90	R	93.8	Very high	90.7	Very high	76 Å²	76	62.7 Å²	62.7	29%	0.287	28%	0.283	S	S	.	.	H	α-helix	trans	-66.6	-40.4	176	-76	177.5	-177.9	-165	0.6	111.7	L58 D60 L86 A87 A88 R93 L94	L58-R90 HydrophobicContact CD1-CB 4.38Å; L58-R90 HydrophobicContact CD2-CB 3.66Å; L58-R90 HydrophobicContact CD2-CG 4.45Å; D60-R90 PolarHBondContact O-NH1 3.38Å; D60-R90 IonicContact OD1-NH1 3.89Å; D60-R90 IonicContact OD2-CZ 2.91Å; D60-R90 IonicContact OD2-NH1 3.61Å; D60-R90 PolarHBondContact OD2-NH1 3.21Å; D60-R90 IonicContact OD2-NH2 3.84Å; L86-R90 HydrophobicContact CD1-CG 4.47Å; L86-R90 WeakPolarHBondContact O-CB 3.46Å; L86-R90 VanDerWaalsContact O-CG 3.29Å; L86-R90 WeakPolarHBondContact O-CG 3.29Å; L86-R90 PolarHBondContact O-N 3.41Å; A87-R90 PolarHBondContact O-N 3.25Å; A87-R90 VanDerWaalsContact O-N 3.12Å; A88-R90 PolarHBondContact O-N 3.43Å; R90-R93 PolarHBondContact O-N 2.83Å; R90-L94 WeakPolarHBondContact O-CG 3.33Å; R90-L94 PolarHBondContact O-N 2.93Å
91	H	92.6	Very high	90.3	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-60.7	-46.6	173.2	-79.2	-65.9	0	0	0	111.7	A65 M73 A87 A88 R93 L94 I95	A65-H91 HydrophobicContact CB-CB 4.43Å; M73-H91 HydrophobicContact CE-CB 4.44Å; M73-H91 HydrophobicContact SD-CB 3.72Å; A87-H91 PolarHBondContact O-CD2 3.42Å; A87-H91 PolarHBondContact O-N 2.89Å; A88-H91 PolarHBondContact O-N 3.4Å; H91-R93 VanDerWaalsContact C-N 3.32Å; H91-R93 PolarHBondContact O-N 3.05Å; H91-L94 WeakPolarHBondContact O-CB 3.18Å; H91-L94 PolarHBondContact O-N 2.97Å; H91-L94 VanDerWaalsContact O-N 3.1Å; H91-I95 WeakPolarHBondContact O-CG1 3.48Å; H91-I95 PolarHBondContact O-N 3.34Å
92	V	92.6	Very high	90	Very high	10 Å²	10	62.3 Å²	62.3	6%	0.061	29%	0.285	C	S	.	.	H	α-helix	trans	-60	-41.6	175.4	172.7	0	0	0	0	111.7	L28 M73 A88 T89 L94 I95 N96 A102 C104	L28-V92 HydrophobicContact CD2-CG2 3.73Å; M73-V92 HydrophobicContact CE-CG2 4.05Å; A88-V92 WeakPolarHBondContact O-CG2 3.39Å; A88-V92 PolarHBondContact O-N 3.48Å; T89-V92 PolarHBondContact O-N 3.13Å; V92-L94 VanDerWaalsContact C-N 3.31Å; V92-L94 PolarHBondContact O-N 3.17Å; V92-I95 PolarHBondContact O-N 3.39Å; V92-N96 WeakPolarHBondContact O-CB 3.18Å; V92-N96 VanDerWaalsContact O-CG 3.28Å; V92-N96 PolarHBondContact O-N 3.04Å; V92-A102 HydrophobicContact CG1-CB 4.19Å; V92-A102 WeakPolarHBondContact CG1-O 3.41Å; V92-C104 HydrophobicContact CG2-CB 4.03Å
93	R	91.1	Very high	89.8	Confident	159 Å²	159	60.3 Å²	60.3	60%	0.6	28%	0.281	S	S	*	.	H	α-helix	trans	-63.5	-34.6	175.2	-73.9	176.3	-175.1	174.9	3.7	113	T89 R90 H91 R97	T89-R93 WeakPolarHBondContact O-CG 3.41Å; T89-R93 PolarHBondContact O-N 3.4Å; R90-R93 PolarHBondContact O-N 2.83Å; H91-R93 VanDerWaalsContact C-N 3.32Å; H91-R93 PolarHBondContact O-N 3.05Å; R93-R97 WeakPolarHBondContact O-CG 3.28Å; R93-R97 PolarHBondContact O-N 3.06Å
94	L	88.8	Confident	89.5	Confident	22 Å²	22	59.8 Å²	59.8	12%	0.115	28%	0.284	C	S	.	.	H	α-helix	trans	-68.2	-45.6	174.6	-74.1	170.6	0	0	0	110.9	M56 L58 R90 H91 V92 N96 R97 F98	M56-L94 HydrophobicContact CE-CB 4.21Å; L58-L94 HydrophobicContact CD1-CD1 3.79Å; R90-L94 WeakPolarHBondContact O-CG 3.33Å; R90-L94 PolarHBondContact O-N 2.93Å; H91-L94 WeakPolarHBondContact O-CB 3.18Å; H91-L94 PolarHBondContact O-N 2.97Å; H91-L94 VanDerWaalsContact O-N 3.1Å; V92-L94 VanDerWaalsContact C-N 3.31Å; V92-L94 PolarHBondContact O-N 3.17Å; L94-N96 VanDerWaalsContact C-N 3.28Å; L94-N96 PolarHBondContact O-N 3.17Å; L94-R97 WeakPolarHBondContact O-CB 3.48Å; L94-R97 PolarHBondContact O-N 3.19Å; L94-R97 VanDerWaalsContact O-N 3.1Å; L94-F98 WeakPolarHBondContact O-CD2 3.34Å
95	I	89.6	Confident	89.3	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-57.2	-44.4	176.4	-64.9	169.4	0	0	0	110.4	L28 M37 I41 M56 V67 H91 V92 R97 F98 F100 A102	L28-I95 HydrophobicContact CD1-CD1 3.98Å; L28-I95 HydrophobicContact CD2-CD1 4.29Å; M37-I95 HydrophobicContact CE-CD1 3.97Å; M37-I95 HydrophobicContact CE-CG1 3.85Å; M37-I95 HydrophobicContact CE-CG2 4.39Å; I41-I95 HydrophobicContact CD1-CG1 4.49Å; M56-I95 HydrophobicContact CE-CD1 4.48Å; M56-I95 HydrophobicContact CE-CG1 3.82Å; M56-I95 HydrophobicContact SD-CD1 3.93Å; M56-I95 HydrophobicContact SD-CG1 3.82Å; V67-I95 HydrophobicContact CG2-CD1 4.27Å; H91-I95 WeakPolarHBondContact O-CG1 3.48Å; H91-I95 PolarHBondContact O-N 3.34Å; V92-I95 PolarHBondContact O-N 3.39Å; I95-R97 PolarHBondContact O-N 3Å; I95-R97 VanDerWaalsContact O-N 3.15Å; I95-F98 PolarHBondContact O-N 3.48Å; I95-F98 VanDerWaalsContact O-N 3.14Å; I95-F100 HydrophobicContact CG2-CB 3.43Å; I95-F100 VanDerWaalsContact CG2-CB 3.43Å; I95-F100 HydrophobicContact CG2-CD2 4.29Å; I95-F100 HydrophobicContact CG2-CG 4.07Å; I95-A102 HydrophobicContact CB-CB 4.18Å; I95-A102 HydrophobicContact CG2-CB 3.61Å
96	N	89.8	Confident	89.1	Confident	71 Å²	71	67.4 Å²	67.4	38%	0.38	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-14.8	-179.7	-70.8	-11.6	0	0	0	115.1	V92 L94 F98 F100 A102	V92-N96 WeakPolarHBondContact O-CB 3.18Å; V92-N96 VanDerWaalsContact O-CG 3.28Å; V92-N96 PolarHBondContact O-N 3.04Å; L94-N96 VanDerWaalsContact C-N 3.28Å; L94-N96 PolarHBondContact O-N 3.17Å; N96-F98 VanDerWaalsContact C-N 3.34Å; N96-F100 WeakPolarHBondContact CA-O 3.36Å; N96-F100 PolarHBondContact OD1-O 2.84Å; N96-F100 VanDerWaalsContact OD1-O 3.05Å; N96-A102 PolarHBondContact ND2-O 3.23Å; N96-A102 WeakPolarHBondContact OD1-CA 3.37Å; N96-A102 WeakPolarHBondContact OD1-CB 3.47Å; N96-A102 PolarHBondContact OD1-N 3.36Å; N96-A102 PolarHBondContact OD1-O 3.25Å; N96-A102 VanDerWaalsContact OD1-O 3.05Å
97	R	87.4	Confident	89.1	Confident	186 Å²	186	68.4 Å²	68.4	70%	0.702	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-22.5	175.1	-71.8	174.7	-171.2	-166.5	1	112.9	R93 L94 I95	R93-R97 WeakPolarHBondContact O-CG 3.28Å; R93-R97 PolarHBondContact O-N 3.06Å; L94-R97 WeakPolarHBondContact O-CB 3.48Å; L94-R97 PolarHBondContact O-N 3.19Å; L94-R97 VanDerWaalsContact O-N 3.1Å; I95-R97 PolarHBondContact O-N 3Å; I95-R97 VanDerWaalsContact O-N 3.15Å
98	F	82.6	Confident	89	Confident	64 Å²	64	73.8 Å²	73.8	28%	0.281	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	45.5	-174.4	-63.7	-83.3	0	0	0	111.4	E40 I41 L94 I95 N96 F100	E40-F98 HydrophobicContact CB-CD1 4.42Å; E40-F98 WeakPolarHBondContact O-CD1 3.43Å; E40-F98 VanDerWaalsContact O-CE1 3.28Å; E40-F98 WeakPolarHBondContact O-CE1 3.42Å; I41-F98 HydrophobicContact CB-CD2 4.38Å; I41-F98 HydrophobicContact CB-CE2 4.42Å; I41-F98 HydrophobicContact CD1-CD2 4.26Å; I41-F98 HydrophobicContact CG1-CB 4.14Å; I41-F98 HydrophobicContact CG1-CD2 3.65Å; I41-F98 HydrophobicContact CG1-CE2 4.17Å; I41-F98 HydrophobicContact CG1-CG 3.91Å; I41-F98 HydrophobicContact CG2-CD2 4.38Å; I41-F98 HydrophobicContact CG2-CE2 4.1Å; L94-F98 WeakPolarHBondContact O-CD2 3.34Å; I95-F98 PolarHBondContact O-N 3.48Å; I95-F98 VanDerWaalsContact O-N 3.14Å; N96-F98 VanDerWaalsContact C-N 3.34Å; F98-F100 HydrophobicContact CB-CD2 4.13Å; F98-F100 HydrophobicContact CB-CE2 4.22Å; F98-F100 WeakPolarHBondContact O-CD2 3.45Å; F98-F100 VanDerWaalsContact O-CE2 3.25Å; F98-F100 WeakPolarHBondContact O-CE2 3.49Å; F98-F100 PolarHBondContact O-N 3.3Å
99	N	74.9	Confident	89	Confident	157 Å²	157	75.2 Å²	75.2	84%	0.84	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.4	9.4	177.3	-65.1	-27.3	0	0	0	117.3
100	F	79	Confident	88.9	Confident	26 Å²	26	77.3 Å²	77.3	11%	0.114	36%	0.36	C	S	.	.			trans	-86.7	145.2	169.8	-61	-77.9	0	0	0	110.7	L36 M37 I95 N96 F98	L36-F100 HydrophobicContact CB-CZ 4.04Å; M37-F100 HydrophobicContact CB-CZ 4.48Å; M37-F100 HydrophobicContact CG-CD1 4.47Å; M37-F100 HydrophobicContact CG-CD2 4.34Å; M37-F100 HydrophobicContact CG-CE1 3.95Å; M37-F100 HydrophobicContact CG-CE2 3.83Å; M37-F100 HydrophobicContact CG-CZ 3.61Å; I95-F100 HydrophobicContact CG2-CB 3.43Å; I95-F100 VanDerWaalsContact CG2-CB 3.43Å; I95-F100 HydrophobicContact CG2-CD2 4.29Å; I95-F100 HydrophobicContact CG2-CG 4.07Å; N96-F100 WeakPolarHBondContact CA-O 3.36Å; N96-F100 PolarHBondContact OD1-O 2.84Å; N96-F100 VanDerWaalsContact OD1-O 3.05Å; F98-F100 HydrophobicContact CB-CD2 4.13Å; F98-F100 HydrophobicContact CB-CE2 4.22Å; F98-F100 WeakPolarHBondContact O-CD2 3.45Å; F98-F100 VanDerWaalsContact O-CE2 3.25Å; F98-F100 WeakPolarHBondContact O-CE2 3.49Å; F98-F100 PolarHBondContact O-N 3.3Å
101	T	85.2	Confident	88.9	Confident	110 Å²	110	74.4 Å²	74.4	68%	0.675	35%	0.351	S	S	*	.			trans	-104.9	61.9	178.9	52.5	0	0	0	0	111.8	H30	H30-T101 PolarHBondContact CD2-O 3.3Å; H30-T101 VanDerWaalsContact NE2-C 3.26Å; H30-T101 PolarHBondContact NE2-O 3.36Å; H30-T101 PolarHBondContact NE2-OG1 3.34Å
102	A	86.1	Confident	89	Confident	2 Å²	2	74.4 Å²	74.4	2%	0.017	35%	0.351	C	S	.	.			trans	-82.5	142.8	179.5	0	0	0	0	0	112.5	L28 V92 I95 N96	L28-A102 HydrophobicContact CB-CB 4.28Å; L28-A102 HydrophobicContact CD2-CB 4.18Å; V92-A102 HydrophobicContact CG1-CB 4.19Å; V92-A102 WeakPolarHBondContact CG1-O 3.41Å; I95-A102 HydrophobicContact CB-CB 4.18Å; I95-A102 HydrophobicContact CG2-CB 3.61Å; N96-A102 PolarHBondContact ND2-O 3.23Å; N96-A102 WeakPolarHBondContact OD1-CA 3.37Å; N96-A102 WeakPolarHBondContact OD1-CB 3.47Å; N96-A102 PolarHBondContact OD1-N 3.36Å; N96-A102 PolarHBondContact OD1-O 3.25Å; N96-A102 VanDerWaalsContact OD1-O 3.05Å
103	K	88.6	Confident	89.1	Confident	132 Å²	132	74.7 Å²	74.7	57%	0.574	35%	0.354	S	S	*	.			trans	-126.7	150.7	169.9	-71.4	-176.1	179.7	179.8	0	109.3	L28 W105	L28-K103 CarbonylContact C-O 3.41Å; L28-K103 WeakPolarHBondContact CA-O 3.46Å; L28-K103 PolarHBondContact O-N 2.8Å; K103-W105 HydrophobicContact CD-CZ2 4.01Å; K103-W105 PolarHBondContact O-N 3.11Å
104	C	88.9	Confident	89.3	Confident	48 Å²	48	67.2 Å²	67.2	32%	0.324	33%	0.326	S	S	.	.			trans	-87.1	96	173.4	-161.6	0	0	0	0	108.7	V92	V92-C104 HydrophobicContact CG2-CB 4.03Å
105	W	90.2	Very high	89.6	Confident	133 Å²	133	67.4 Å²	67.4	50%	0.504	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	152	171.2	-64.6	103.4	0	0	0	110.7	A26 Y27 K103 F107	A26-W105 CarbonylContact C-O 3.55Å; A26-W105 WeakPolarHBondContact CA-O 3.37Å; Y27-W105 HydrophobicContact CD1-CB 4.45Å; Y27-W105 PolarHBondContact N-O 3.49Å; Y27-W105 WeakPolarHBondContact O-CB 3.03Å; Y27-W105 PolarHBondContact O-N 3.38Å; K103-W105 HydrophobicContact CD-CZ2 4.01Å; K103-W105 PolarHBondContact O-N 3.11Å; W105-F107 VanDerWaalsContact C-N 3.27Å; W105-F107 PolarHBondContact O-N 3.39Å; W105-F107 VanDerWaalsContact O-N 3.16Å
106	D	90.6	Very high	89.8	Confident	132 Å²	132	67.6 Å²	67.6	71%	0.706	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	47.3	46.6	172.2	-57.1	-29	0	0	0	113.8	K108	D106-K108 PolarHBondContact O-N 2.94Å
107	F	94.6	Very high	90	Very high	62 Å²	62	69.1 Å²	69.1	27%	0.272	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	121.9	173.4	177.9	-92.2	0	0	0	109.5	S24 S25 A26 E85 A88 W105 V109	S24-F107 VanDerWaalsContact CB-CE2 3.45Å; S24-F107 WeakPolarHBondContact OG-CE2 3.43Å; S25-F107 WeakPolarHBondContact O-CA 3.33Å; A26-F107 HydrophobicContact CB-CD2 4.42Å; E85-F107 VanDerWaalsContact CA-CZ 3.43Å; E85-F107 HydrophobicContact CB-CD1 4.42Å; E85-F107 HydrophobicContact CB-CE1 3.79Å; E85-F107 HydrophobicContact CB-CE2 4.28Å; E85-F107 HydrophobicContact CB-CZ 3.71Å; E85-F107 HydrophobicContact CG-CD1 4.18Å; E85-F107 HydrophobicContact CG-CE1 4.05Å; E85-F107 HydrophobicContact CG-CZ 4.28Å; A88-F107 HydrophobicContact CB-CD2 3.84Å; A88-F107 HydrophobicContact CB-CE2 3.73Å; W105-F107 VanDerWaalsContact C-N 3.27Å; W105-F107 PolarHBondContact O-N 3.39Å; W105-F107 VanDerWaalsContact O-N 3.16Å; F107-V109 HydrophobicContact CE1-CG2 4.3Å
108	K	94.2	Very high	90.1	Very high	113 Å²	113	60.4 Å²	60.4	49%	0.491	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	135.5	-178.7	-179.6	173.1	164	-112.1	0	110.2	S24 S25 D106 E110	S24-K108 CarbonylContact C-O 3.59Å; S24-K108 WeakPolarHBondContact CA-O 3.22Å; S24-K108 WeakPolarHBondContact CB-O 3.26Å; S25-K108 PolarHBondContact N-O 3.42Å; S25-K108 PolarHBondContact O-N 3.13Å; D106-K108 PolarHBondContact O-N 2.94Å; K108-E110 WeakPolarHBondContact CD-OE1 3.49Å; K108-E110 IonicContact NZ-OE1 3.18Å; K108-E110 PolarHBondContact NZ-OE1 3.45Å; K108-E110 IonicContact NZ-OE2 3.73Å; K108-E110 PolarHBondContact NZ-OE2 3.34Å; K108-E110 PolarHBondContact O-N 3.38Å
109	V	94	Very high	90.3	Very high	32 Å²	32	61.2 Å²	61.2	19%	0.194	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	120.6	167.9	179.1	0	0	0	0	107.7	V22 E81 F107 V112	V22-V109 HydrophobicContact CG1-CG1 3.84Å; V22-V109 HydrophobicContact CG1-CG2 4.36Å; E81-V109 HydrophobicContact CB-CG2 4.47Å; E81-V109 HydrophobicContact CG-CG2 4.26Å; F107-V109 HydrophobicContact CE1-CG2 4.3Å; V109-V112 HydrophobicContact CG1-CG2 3.78Å
110	E	92.6	Very high	90.9	Very high	89 Å²	89	54.5 Å²	54.5	42%	0.416	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-34.9	-179.2	-69.5	-61.1	154.6	0	0	111.6	I23 S25 K108	I23-E110 PolarHBondContact O-N 2.84Å; S25-E110 WeakPolarHBondContact OG-CG 3.45Å; S25-E110 PolarHBondContact OG-OE1 2.95Å; K108-E110 WeakPolarHBondContact CD-OE1 3.49Å; K108-E110 IonicContact NZ-OE1 3.18Å; K108-E110 PolarHBondContact NZ-OE1 3.45Å; K108-E110 IonicContact NZ-OE2 3.73Å; K108-E110 PolarHBondContact NZ-OE2 3.34Å; K108-E110 PolarHBondContact O-N 3.38Å
111	S	93.8	Very high	91.4	Very high	14 Å²	14	55.8 Å²	55.8	10%	0.098	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	137.9	175.7	-175.8	0	0	0	0	112.6	I23 N168 A169	I23-S111 PolarHBondContact N-O 3.31Å; I23-S111 PolarHBondContact O-N 3Å; S111-N168 WeakPolarHBondContact OG-CA 3.4Å; S111-N168 PolarHBondContact OG-N 3.2Å; S111-A169 CarbonylContact C-O 3.47Å; S111-A169 WeakPolarHBondContact CA-O 3.39Å
112	V	94.6	Very high	91.6	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	131.7	166.7	-169	0	0	0	0	108.3	V19 V22 V109 A169 L175	V19-V112 HydrophobicContact CG1-CG1 3.79Å; V19-V112 HydrophobicContact CG2-CG1 4.32Å; V22-V112 HydrophobicContact CG2-CG1 4.27Å; V109-V112 HydrophobicContact CG1-CG2 3.78Å; V112-A169 HydrophobicContact CB-CB 4.43Å; V112-A169 PolarHBondContact N-O 2.98Å; V112-A169 PolarHBondContact O-N 3.49Å; V112-L175 HydrophobicContact CB-CD1 4.23Å; V112-L175 HydrophobicContact CG1-CD1 3.54Å; V112-L175 HydrophobicContact CG1-CG 4.46Å
113	A	94.5	Very high	91.7	Very high	15 Å²	15	53.3 Å²	53.3	12%	0.124	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	134.2	177.4	0	0	0	0	0	111	Y20 N21 I166	Y20-A113 PolarHBondContact N-O 3.31Å; N21-A113 HydrophobicContact CB-CB 4.37Å; N21-A113 PolarHBondContact N-O 3.32Å; N21-A113 PolarHBondContact O-N 3.29Å; A113-I166 CarbonylContact C-O 3.47Å; A113-I166 VanDerWaalsContact CA-O 3.24Å; A113-I166 WeakPolarHBondContact CA-O 3.47Å
114	G	95.1	Very high	91.9	Very high	2 Å²	2	47.2 Å²	47.2	2%	0.021	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	158.7	-179.4	0	0	0	0	0	112.8	Q18 F165 I166	Q18-G114 CarbonylContact O-C 3.6Å; Q18-G114 VanDerWaalsContact O-CA 3.26Å; Q18-G114 WeakPolarHBondContact O-CA 3.41Å; G114-F165 WeakPolarHBondContact O-CA 3.32Å; G114-I166 PolarHBondContact N-O 3.36Å; G114-I166 PolarHBondContact O-N 2.89Å
115	T	95.3	Very high	91.9	Very high	26 Å²	26	48.4 Å²	48.4	16%	0.16	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	148.3	172.2	-175.9	0	0	0	0	110.1	Q18 V164	Q18-T115 HydrophobicContact CB-CG2 4.25Å; Q18-T115 PolarHBondContact N-O 3.13Å; Q18-T115 PolarHBondContact O-N 3.28Å; T115-V164 CarbonylContact C-O 3.57Å; T115-V164 WeakPolarHBondContact CA-O 3.28Å
116	C	94	Very high	91.7	Very high	5 Å²	5	49.1 Å²	49.1	3%	0.034	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	147.7	175.5	-172.8	0	0	0	0	109.9	P15 V17 V164 F179	P15-C116 VanDerWaalsContact CG-SG 3.55Å; V17-C116 HydrophobicContact CG2-CB 4.4Å; C116-V164 HydrophobicContact CB-CB 4.43Å; C116-V164 PolarHBondContact N-O 3.38Å; C116-V164 PolarHBondContact O-N 3.48Å; C116-F179 HydrophobicContact CB-CE2 3.92Å; C116-F179 HydrophobicContact CB-CZ 4.21Å; C116-F179 WeakPolarHBondContact SG-CZ 3.25Å
117	Q	93.2	Very high	91.7	Very high	103 Å²	103	43 Å²	43	48%	0.481	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	118.9	172.8	179.6	60.8	51.4	0	0	108.6	P15 T161	P15-Q117 WeakPolarHBondContact CB-O 3.41Å; Q117-T161 PolarHBondContact NE2-O 2.86Å
118	L	90.9	Very high	91.5	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.016	21%	0.214	C	C	.	.			trans	-80.2	147.4	174.5	-59.7	169.4	0	0	0	110.2	P15 F120 I122 G162 V164 F179 Y183 L186	P15-L118 HydrophobicContact CG-CD2 3.95Å; L118-F120 HydrophobicContact CB-CE2 4.35Å; L118-F120 HydrophobicContact CB-CZ 4.43Å; L118-F120 HydrophobicContact CD1-CE2 4.12Å; L118-F120 HydrophobicContact CD1-CZ 4.45Å; L118-F120 HydrophobicContact CD2-CZ 4.36Å; L118-F120 PolarHBondContact O-N 3.16Å; L118-I122 HydrophobicContact CD1-CD1 3.36Å; L118-I122 HydrophobicContact CD1-CG1 4.28Å; L118-G162 VanDerWaalsContact CB-O 3.32Å; L118-G162 WeakPolarHBondContact CB-O 3.49Å; L118-G162 WeakPolarHBondContact CG-O 3.37Å; L118-G162 PolarHBondContact N-O 3.17Å; L118-V164 HydrophobicContact CD1-CG2 3.68Å; L118-V164 HydrophobicContact CG-CG2 4.02Å; L118-F179 HydrophobicContact CD2-CE2 4.38Å; L118-F179 HydrophobicContact CD2-CZ 3.92Å; L118-Y183 HydrophobicContact CD2-CD2 3.96Å; L118-Y183 HydrophobicContact CD2-CE2 3.94Å; L118-L186 HydrophobicContact CD1-CB 4.39Å; L118-L186 HydrophobicContact CD1-CD1 3.9Å
119	P	86.3	Confident	91.2	Very high	80 Å²	80	43.6 Å²	43.6	52%	0.519	23%	0.225	S	C	.	.	S	Bend	trans	-77.5	0.7	179.1	30.2	-32.9	0	0	0	113.6	M12	M12-P119 HydrophobicContact CB-CG 4.46Å; M12-P119 HydrophobicContact SD-CB 4.17Å; M12-P119 HydrophobicContact SD-CG 3.89Å
120	F	86.9	Confident	91	Very high	16 Å²	16	44.3 Å²	44.3	7%	0.07	23%	0.234	C	C	.	.	S	Bend	trans	-136.2	157.4	-177.5	50.3	-101.4	0	0	0	111.5	M12 L118 I122 G162 Y183 R187 S190	M12-F120 HydrophobicContact SD-CD1 4.34Å; L118-F120 HydrophobicContact CB-CE2 4.35Å; L118-F120 HydrophobicContact CB-CZ 4.43Å; L118-F120 HydrophobicContact CD1-CE2 4.12Å; L118-F120 HydrophobicContact CD1-CZ 4.45Å; L118-F120 HydrophobicContact CD2-CZ 4.36Å; L118-F120 PolarHBondContact O-N 3.16Å; F120-I122 HydrophobicContact CD2-CG1 4.15Å; F120-I122 HydrophobicContact CE2-CG1 4.11Å; F120-G162 WeakPolarHBondContact O-CA 3.21Å; F120-Y183 HydrophobicContact CE1-CE2 4.47Å; F120-Y183 HydrophobicContact CZ-CE2 4.42Å; F120-R187 HydrophobicContact CZ-CB 4.44Å; F120-S190 VanDerWaalsContact CD2-CB 3.4Å
121	S	88.8	Confident	90.8	Very high	54 Å²	54	43.9 Å²	43.9	38%	0.378	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	158.6	170.7	-66.8	0	0	0	0	110.9	K160 S190 I191	S121-K160 VanDerWaalsContact CA-O 3.28Å; S121-K160 WeakPolarHBondContact CA-O 3.49Å; S121-K160 WeakPolarHBondContact CB-O 3.28Å; S121-S190 CarbonylContact O-C 3.58Å; S121-S190 WeakPolarHBondContact O-CA 3.3Å; S121-I191 PolarHBondContact O-N 3.47Å
122	I	89.7	Confident	90.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	138	-175.4	-55.4	166.4	0	0	0	110.9	L118 F120 L124 M127 I158 K160 L186 W189	L118-I122 HydrophobicContact CD1-CD1 3.36Å; L118-I122 HydrophobicContact CD1-CG1 4.28Å; F120-I122 HydrophobicContact CD2-CG1 4.15Å; F120-I122 HydrophobicContact CE2-CG1 4.11Å; I122-L124 HydrophobicContact CB-CD2 4.16Å; I122-L124 HydrophobicContact CG2-CD2 4.01Å; I122-L124 PolarHBondContact O-N 3.42Å; I122-L124 VanDerWaalsContact O-N 3.11Å; I122-M127 HydrophobicContact CG2-CE 4.47Å; I122-M127 HydrophobicContact CG2-SD 4.4Å; I122-I158 HydrophobicContact CD1-CG2 3.57Å; I122-K160 PolarHBondContact N-O 2.95Å; I122-L186 HydrophobicContact CD1-CB 4.39Å; I122-L186 HydrophobicContact CD1-CD2 4.13Å; I122-W189 HydrophobicContact CG2-CB 4.04Å
123	E	89.5	Confident	90.3	Very high	59 Å²	59	57.6 Å²	57.6	28%	0.276	30%	0.297	S	S	.	.			trans	-83.6	78.9	175.8	-159.7	175.6	178.8	0	0	111.9	T125 R126 M127 W189 I191	E123-T125 VanDerWaalsContact C-N 3.32Å; E123-T125 PolarHBondContact O-N 3.24Å; E123-R126 HydrophobicContact CG-CB 4.24Å; E123-R126 HydrophobicContact CG-CG 4.03Å; E123-R126 PolarHBondContact O-N 3.21Å; E123-R126 VanDerWaalsContact OE1-CD 3.25Å; E123-R126 WeakPolarHBondContact OE1-CD 3.1Å; E123-R126 WeakPolarHBondContact OE1-CG 3.4Å; E123-R126 IonicContact OE1-CZ 3.69Å; E123-R126 IonicContact OE1-NE 2.83Å; E123-R126 PolarHBondContact OE1-NE 3.21Å; E123-R126 IonicContact OE1-NH1 2.74Å; E123-R126 IonicContact OE1-NH2 3.64Å; E123-R126 WeakPolarHBondContact OE2-CD 3.14Å; E123-R126 IonicContact OE2-CZ 3.71Å; E123-R126 IonicContact OE2-NE 2.77Å; E123-R126 PolarHBondContact OE2-NE 3.12Å; E123-R126 VanDerWaalsContact OE2-NE 3.15Å; E123-R126 IonicContact OE2-NH1 2.84Å; E123-R126 PolarHBondContact OE2-NH1 3.36Å; E123-M127 PolarHBondContact O-N 3.47Å; E123-W189 PolarHBondContact N-O 3.46Å; E123-I191 HydrophobicContact CB-CD1 3.83Å; E123-I191 HydrophobicContact CB-CG1 3.67Å; E123-I191 HydrophobicContact CG-CD1 4.25Å; E123-I191 HydrophobicContact CG-CG1 4.42Å
124	L	91.6	Very high	90	Very high	4 Å²	4	60.7 Å²	60.7	2%	0.021	31%	0.309	C	S	.	.	H	α-helix	trans	-55.5	-41.7	-174.6	-56.5	-174.3	0	0	0	113.7	I122 R126 M127 S128 Y137 L145 I158 K160	I122-L124 HydrophobicContact CB-CD2 4.16Å; I122-L124 HydrophobicContact CG2-CD2 4.01Å; I122-L124 PolarHBondContact O-N 3.42Å; I122-L124 VanDerWaalsContact O-N 3.11Å; L124-R126 VanDerWaalsContact C-N 3.3Å; L124-R126 PolarHBondContact O-N 3.45Å; L124-M127 HydrophobicContact CD2-CE 4.21Å; L124-M127 PolarHBondContact O-N 2.93Å; L124-S128 PolarHBondContact O-N 3.02Å; L124-Y137 HydrophobicContact CB-CE1 4.01Å; L124-Y137 HydrophobicContact CB-CE2 4.11Å; L124-Y137 HydrophobicContact CD1-CE2 3.85Å; L124-L145 HydrophobicContact CB-CB 4.46Å; L124-L145 HydrophobicContact CB-CD1 4.1Å; L124-L145 HydrophobicContact CD1-CB 4.16Å; L124-L145 HydrophobicContact CD2-CB 3.99Å; L124-L145 HydrophobicContact CD2-CD1 4.24Å; L124-L145 HydrophobicContact CG-CB 4.43Å; L124-I158 HydrophobicContact CD2-CG2 4Å; L124-K160 HydrophobicContact CD1-CB 4.09Å; L124-K160 HydrophobicContact CG-CB 4.32Å
125	T	89.5	Confident	90	Very high	74 Å²	74	61.4 Å²	61.4	45%	0.454	31%	0.312	S	S	.	.	H	α-helix	trans	-64.2	-31.7	-176.7	-47.2	0	0	0	0	113.4	E123 S128 K129	E123-T125 VanDerWaalsContact C-N 3.32Å; E123-T125 PolarHBondContact O-N 3.24Å; T125-S128 PolarHBondContact O-OG 3.27Å; T125-K129 WeakPolarHBondContact O-CG 2.95Å
126	R	86.5	Confident	89.8	Confident	148 Å²	148	62.5 Å²	62.5	56%	0.558	32%	0.321	S	S	*	.	H	α-helix	trans	-81.9	-38.8	175.8	-70.1	-167.4	-166.6	166.8	-13.8	111.1	E123 L124 S128 K129 A130 W189	E123-R126 HydrophobicContact CG-CB 4.24Å; E123-R126 HydrophobicContact CG-CG 4.03Å; E123-R126 PolarHBondContact O-N 3.21Å; E123-R126 VanDerWaalsContact OE1-CD 3.25Å; E123-R126 WeakPolarHBondContact OE1-CD 3.1Å; E123-R126 WeakPolarHBondContact OE1-CG 3.4Å; E123-R126 IonicContact OE1-CZ 3.69Å; E123-R126 IonicContact OE1-NE 2.83Å; E123-R126 PolarHBondContact OE1-NE 3.21Å; E123-R126 IonicContact OE1-NH1 2.74Å; E123-R126 IonicContact OE1-NH2 3.64Å; E123-R126 WeakPolarHBondContact OE2-CD 3.14Å; E123-R126 IonicContact OE2-CZ 3.71Å; E123-R126 IonicContact OE2-NE 2.77Å; E123-R126 PolarHBondContact OE2-NE 3.12Å; E123-R126 VanDerWaalsContact OE2-NE 3.15Å; E123-R126 IonicContact OE2-NH1 2.84Å; E123-R126 PolarHBondContact OE2-NH1 3.36Å; L124-R126 VanDerWaalsContact C-N 3.3Å; L124-R126 PolarHBondContact O-N 3.45Å; R126-S128 VanDerWaalsContact C-N 3.35Å; R126-S128 PolarHBondContact O-N 3.17Å; R126-K129 PolarHBondContact O-N 2.83Å; R126-A130 PolarHBondContact O-N 3.36Å; R126-W189 HydrophobicContact CB-CE3 4.12Å; R126-W189 HydrophobicContact CB-CZ3 3.92Å
127	M	89.6	Confident	89.8	Confident	2 Å²	2	64.7 Å²	64.7	1%	0.01	33%	0.329	C	S	.	.	H	α-helix	trans	-61.4	-42.3	177.4	-168.7	171.6	70.5	0	0	111.9	I122 E123 L124 K129 A130 Y131 I135 L145 I158 L186 W189	I122-M127 HydrophobicContact CG2-CE 4.47Å; I122-M127 HydrophobicContact CG2-SD 4.4Å; E123-M127 PolarHBondContact O-N 3.47Å; L124-M127 HydrophobicContact CD2-CE 4.21Å; L124-M127 PolarHBondContact O-N 2.93Å; M127-K129 VanDerWaalsContact C-N 3.28Å; M127-K129 PolarHBondContact O-N 3.25Å; M127-A130 PolarHBondContact O-N 3.37Å; M127-A130 VanDerWaalsContact O-N 3.07Å; M127-Y131 PolarHBondContact O-N 3.43Å; M127-I135 HydrophobicContact CE-CD1 4.38Å; M127-I135 HydrophobicContact CG-CD1 3.82Å; M127-L145 HydrophobicContact CB-CD1 4.44Å; M127-L145 HydrophobicContact CE-CD1 3.39Å; M127-L145 HydrophobicContact CE-CD2 3.5Å; M127-L145 HydrophobicContact CE-CG 4.01Å; M127-I158 HydrophobicContact CE-CD1 4.27Å; M127-L186 HydrophobicContact CE-CD2 4.18Å; M127-L186 HydrophobicContact SD-CD2 3.9Å; M127-W189 HydrophobicContact CB-CB 4.4Å; M127-W189 HydrophobicContact CB-CD2 4.17Å; M127-W189 HydrophobicContact CB-CG 3.97Å; M127-W189 HydrophobicContact CG-CD2 4.38Å; M127-W189 HydrophobicContact CG-CG 3.94Å; M127-W189 HydrophobicContact SD-CB 4.3Å; M127-W189 HydrophobicContact SD-CG 4.11Å
128	S	90.5	Very high	89.7	Confident	24 Å²	24	65.2 Å²	65.2	17%	0.168	33%	0.331	C	S	.	.	H	α-helix	trans	-61.7	-34.9	178.1	69.7	0	0	0	0	113.2	L124 T125 R126 A130	L124-S128 PolarHBondContact O-N 3.02Å; T125-S128 PolarHBondContact O-OG 3.27Å; R126-S128 VanDerWaalsContact C-N 3.35Å; R126-S128 PolarHBondContact O-N 3.17Å; S128-A130 VanDerWaalsContact C-N 3.33Å
129	K	89.3	Confident	89.6	Confident	165 Å²	165	68.4 Å²	68.4	72%	0.717	35%	0.352	S	S	*	.	H	α-helix	trans	-70.5	-28.4	175.7	-68.2	177.6	-178.9	-178.1	0	112.9	T125 R126 M127	T125-K129 WeakPolarHBondContact O-CG 2.95Å; R126-K129 PolarHBondContact O-N 2.83Å; M127-K129 VanDerWaalsContact C-N 3.28Å; M127-K129 PolarHBondContact O-N 3.25Å
130	A	89	Confident	89.7	Confident	47 Å²	47	71.7 Å²	71.7	39%	0.388	36%	0.36	S	S	.	.	H	α-helix	trans	-77.6	-34.6	-179.3	0	0	0	0	0	112.8	R126 M127 S128 P132 W189	R126-A130 PolarHBondContact O-N 3.36Å; M127-A130 PolarHBondContact O-N 3.37Å; M127-A130 VanDerWaalsContact O-N 3.07Å; S128-A130 VanDerWaalsContact C-N 3.33Å; A130-P132 VanDerWaalsContact C-CD 3.47Å; A130-P132 WeakPolarHBondContact O-CD 3.31Å; A130-W189 HydrophobicContact CB-CH2 3.82Å; A130-W189 HydrophobicContact CB-CZ2 3.46Å; A130-W189 VanDerWaalsContact CB-CZ2 3.46Å
131	Y	88.7	Confident	90	Very high	80 Å²	80	75.6 Å²	75.6	31%	0.314	39%	0.386	S	S	.	.			trans	-126.1	63	-177.1	-56.2	-90.6	0	0	0	113	M127 K133 E134 I135 I185 W189	M127-Y131 PolarHBondContact O-N 3.43Å; Y131-K133 PolarHBondContact O-N 2.89Å; Y131-K133 VanDerWaalsContact O-N 3.09Å; Y131-E134 PolarHBondContact O-N 2.87Å; Y131-I135 HydrophobicContact CD2-CD1 4.2Å; Y131-I135 HydrophobicContact CG-CD1 4.37Å; Y131-I135 VanDerWaalsContact O-CB 3.27Å; Y131-I135 WeakPolarHBondContact O-CB 3.34Å; Y131-I135 PolarHBondContact O-N 2.72Å; Y131-I185 HydrophobicContact CE2-CG2 4.04Å; Y131-W189 HydrophobicContact CE2-CZ2 4.36Å; Y131-W189 AromaticContact CE2-NE1 3.78Å
132	P	87.7	Confident	89.9	Confident	98 Å²	98	76.4 Å²	76.4	64%	0.636	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-17.2	-174.8	27.9	-36.6	0	0	0	114.3	A130	A130-P132 VanDerWaalsContact C-CD 3.47Å; A130-P132 WeakPolarHBondContact O-CD 3.31Å
133	K	88.8	Confident	90	Very high	205 Å²	205	80.3 Å²	80.3	89%	0.891	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-31.5	179.9	-67.5	-174.3	178.6	-177.3	0	113.5	Y131	Y131-K133 PolarHBondContact O-N 2.89Å; Y131-K133 VanDerWaalsContact O-N 3.09Å
134	E	90	Very high	90.2	Very high	80 Å²	80	77.6 Å²	77.6	37%	0.374	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-16.8	-174	-65.2	173	-177	0	0	111.4	Y131 Y147 F148	Y131-E134 PolarHBondContact O-N 2.87Å; E134-Y147 HydrophobicContact CB-CD2 4.36Å; E134-Y147 HydrophobicContact CB-CE2 3.91Å; E134-Y147 WeakPolarHBondContact OE2-CE2 3.01Å; E134-Y147 VanDerWaalsContact OE2-CZ 3.25Å; E134-Y147 PolarHBondContact OE2-OH 2.75Å; E134-F148 PolarHBondContact O-N 3.38Å
135	I	93.2	Very high	90.4	Very high	16 Å²	16	77.4 Å²	77.4	8%	0.082	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	130.6	-175	-64.3	179.5	0	0	0	111.5	M127 Y131 L145 I146 Y147	M127-I135 HydrophobicContact CE-CD1 4.38Å; M127-I135 HydrophobicContact CG-CD1 3.82Å; Y131-I135 HydrophobicContact CD2-CD1 4.2Å; Y131-I135 HydrophobicContact CG-CD1 4.37Å; Y131-I135 VanDerWaalsContact O-CB 3.27Å; Y131-I135 WeakPolarHBondContact O-CB 3.34Å; Y131-I135 PolarHBondContact O-N 2.72Å; I135-L145 HydrophobicContact CB-CD2 4.46Å; I135-L145 HydrophobicContact CD1-CD1 4.29Å; I135-L145 HydrophobicContact CD1-CD2 4.12Å; I135-L145 HydrophobicContact CG1-CD2 4.11Å; I135-L145 HydrophobicContact CG2-CD1 3.6Å; I135-L145 HydrophobicContact CG2-CD2 3.64Å; I135-L145 HydrophobicContact CG2-CG 3.44Å; I135-L145 VanDerWaalsContact CG2-CG 3.44Å; I135-I146 CarbonylContact C-O 3.56Å; I135-I146 WeakPolarHBondContact CA-O 3.4Å; I135-Y147 HydrophobicContact CD1-CD2 4.01Å; I135-Y147 HydrophobicContact CG1-CD2 3.56Å; I135-Y147 HydrophobicContact CG1-CE2 4.31Å; I135-Y147 HydrophobicContact CG1-CG 4.42Å
136	S	92	Very high	90.7	Very high	50 Å²	50	76.1 Å²	76.1	35%	0.35	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	121.7	159.6	-178.8	0	0	0	0	109.5	I146	S136-I146 PolarHBondContact N-O 3.14Å; S136-I146 PolarHBondContact O-N 3.06Å
137	Y	93.9	Very high	91.1	Very high	51 Å²	51	69.8 Å²	69.8	20%	0.2	36%	0.361	C	S	.	.			trans	-141.7	105.1	177	-178.1	-124.9	0	0	0	110.6	L124 P139 L145	L124-Y137 HydrophobicContact CB-CE1 4.01Å; L124-Y137 HydrophobicContact CB-CE2 4.11Å; L124-Y137 HydrophobicContact CD1-CE2 3.85Å; Y137-P139 HydrophobicContact CE1-CB 4.43Å; Y137-P139 HydrophobicContact CE1-CG 4.11Å; Y137-P139 HydrophobicContact CE2-CB 4.17Å; Y137-L145 HydrophobicContact CD2-CB 3.79Å; Y137-L145 HydrophobicContact CD2-CG 4.39Å; Y137-L145 HydrophobicContact CE2-CB 4.44Å; Y137-L145 HydrophobicContact CG-CB 4.26Å; Y137-L145 HydrophobicContact CG-CD1 4.2Å; Y137-L145 HydrophobicContact CG-CG 4.38Å
138	E	90.4	Very high	91.3	Very high	114 Å²	114	75 Å²	75	53%	0.533	38%	0.384	S	S	.	.			trans	-126.9	85.7	178.7	-67.1	-176.8	178.3	0	0	107.9	E140 V141 H142	E138-E140 PolarHBondContact O-N 3.34Å; E138-V141 HydrophobicContact CB-CB 4.03Å; E138-V141 HydrophobicContact CB-CG2 4.09Å; E138-V141 PolarHBondContact O-N 3.36Å; E138-V141 WeakPolarHBondContact OE2-CG2 3.3Å; E138-H142 PolarHBondContact O-N 2.67Å; E138-H142 VanDerWaalsContact O-O 3.06Å
139	P	89.8	Confident	91.4	Very high	70 Å²	70	74.8 Å²	74.8	46%	0.455	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-21	-172.5	22.3	-33	0	0	0	114.3	Y137 H142	Y137-P139 HydrophobicContact CE1-CB 4.43Å; Y137-P139 HydrophobicContact CE1-CG 4.11Å; Y137-P139 HydrophobicContact CE2-CB 4.17Å; P139-H142 WeakPolarHBondContact CA-O 3.48Å
140	E	88.6	Confident	91.4	Very high	148 Å²	148	70.5 Å²	70.5	69%	0.692	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-24.9	174.1	-60.9	-66.5	149	0	0	112.7	E138 R423	E138-E140 PolarHBondContact O-N 3.34Å; E140-R423 IonicContact OE2-CZ 3.66Å; E140-R423 IonicContact OE2-NH2 2.87Å; E140-R423 PolarHBondContact OE2-NH2 2.71Å
141	V	91.9	Very high	91.4	Very high	99 Å²	99	74.3 Å²	74.3	60%	0.6	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-46.8	178.8	179.3	0	0	0	0	110.7	E138	E138-V141 HydrophobicContact CB-CB 4.03Å; E138-V141 HydrophobicContact CB-CG2 4.09Å; E138-V141 PolarHBondContact O-N 3.36Å; E138-V141 WeakPolarHBondContact OE2-CG2 3.3Å
142	H	87.7	Confident	91.4	Very high	71 Å²	71	71.4 Å²	71.4	33%	0.329	38%	0.381	S	S	.	.			trans	-145.2	126.3	179.6	-169.9	-85.4	0	0	0	110.9	E138 P139 A144	E138-H142 PolarHBondContact O-N 2.67Å; E138-H142 VanDerWaalsContact O-O 3.06Å; P139-H142 WeakPolarHBondContact CA-O 3.48Å; H142-A144 WeakPolarHBondContact CE1-CB 2.89Å; H142-A144 WeakPolarHBondContact ND1-CB 3.39Å; H142-A144 PolarHBondContact ND1-N 2.91Å; H142-A144 VanDerWaalsContact ND1-N 3.13Å; H142-A144 PolarHBondContact ND1-O 2.97Å; H142-A144 VanDerWaalsContact ND1-O 3.17Å; H142-A144 PolarHBondContact O-N 2.86Å
143	P	92.1	Very high	91.6	Very high	82 Å²	82	75 Å²	75	53%	0.532	39%	0.387	S	S	.	.	S	Bend	trans	-70.3	-18.2	-172.6	28.3	-36.1	0	0	0	113.9	Y159	P143-Y159 HydrophobicContact CG-CE1 4.44Å
144	A	94.1	Very high	91.9	Very high	2 Å²	2	65.5 Å²	65.5	2%	0.017	35%	0.346	C	S	.	.	S	Bend	trans	-95.4	152.3	176.9	0	0	0	0	0	111.9	H142 T157 I158 Y159	H142-A144 WeakPolarHBondContact CE1-CB 2.89Å; H142-A144 WeakPolarHBondContact ND1-CB 3.39Å; H142-A144 PolarHBondContact ND1-N 2.91Å; H142-A144 VanDerWaalsContact ND1-N 3.13Å; H142-A144 PolarHBondContact ND1-O 2.97Å; H142-A144 VanDerWaalsContact ND1-O 3.17Å; H142-A144 PolarHBondContact O-N 2.86Å; A144-T157 HydrophobicContact CB-CG2 3.57Å; A144-I158 WeakPolarHBondContact CA-O 3.23Å; A144-I158 WeakPolarHBondContact CB-O 3.14Å; A144-Y159 HydrophobicContact CB-CD1 3.78Å; A144-Y159 HydrophobicContact CB-CD2 3.89Å; A144-Y159 HydrophobicContact CB-CE1 3.71Å; A144-Y159 HydrophobicContact CB-CE2 3.78Å; A144-Y159 HydrophobicContact CB-CG 3.88Å
145	L	94.8	Very high	92.1	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	131.9	174.9	-178.9	151.2	0	0	0	110.1	L124 M127 I135 Y137 T157 I158	L124-L145 HydrophobicContact CB-CB 4.46Å; L124-L145 HydrophobicContact CB-CD1 4.1Å; L124-L145 HydrophobicContact CD1-CB 4.16Å; L124-L145 HydrophobicContact CD2-CB 3.99Å; L124-L145 HydrophobicContact CD2-CD1 4.24Å; L124-L145 HydrophobicContact CG-CB 4.43Å; M127-L145 HydrophobicContact CB-CD1 4.44Å; M127-L145 HydrophobicContact CE-CD1 3.39Å; M127-L145 HydrophobicContact CE-CD2 3.5Å; M127-L145 HydrophobicContact CE-CG 4.01Å; I135-L145 HydrophobicContact CB-CD2 4.46Å; I135-L145 HydrophobicContact CD1-CD1 4.29Å; I135-L145 HydrophobicContact CD1-CD2 4.12Å; I135-L145 HydrophobicContact CG1-CD2 4.11Å; I135-L145 HydrophobicContact CG2-CD1 3.6Å; I135-L145 HydrophobicContact CG2-CD2 3.64Å; I135-L145 HydrophobicContact CG2-CG 3.44Å; I135-L145 VanDerWaalsContact CG2-CG 3.44Å; Y137-L145 HydrophobicContact CD2-CB 3.79Å; Y137-L145 HydrophobicContact CD2-CG 4.39Å; Y137-L145 HydrophobicContact CE2-CB 4.44Å; Y137-L145 HydrophobicContact CG-CB 4.26Å; Y137-L145 HydrophobicContact CG-CD1 4.2Å; Y137-L145 HydrophobicContact CG-CG 4.38Å; L145-T157 WeakPolarHBondContact O-CA 3.25Å; L145-I158 HydrophobicContact CD2-CD1 4.05Å; L145-I158 PolarHBondContact N-O 3.32Å; L145-I158 PolarHBondContact O-N 3.01Å
146	I	95.3	Very high	92.2	Very high	47 Å²	47	61.6 Å²	61.6	24%	0.241	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	116.4	176	-56.6	171.8	0	0	0	108.4	I135 S136 F148 F156	I135-I146 CarbonylContact C-O 3.56Å; I135-I146 WeakPolarHBondContact CA-O 3.4Å; S136-I146 PolarHBondContact N-O 3.14Å; S136-I146 PolarHBondContact O-N 3.06Å; I146-F148 HydrophobicContact CB-CE2 4.46Å; I146-F148 HydrophobicContact CB-CZ 4.5Å; I146-F148 HydrophobicContact CG2-CD1 4.42Å; I146-F148 HydrophobicContact CG2-CD2 4.31Å; I146-F148 HydrophobicContact CG2-CE1 3.83Å; I146-F148 HydrophobicContact CG2-CE2 3.71Å; I146-F148 HydrophobicContact CG2-CZ 3.44Å; I146-F148 VanDerWaalsContact CG2-CZ 3.44Å; I146-F156 CarbonylContact C-O 3.51Å; I146-F156 VanDerWaalsContact CA-O 3.28Å; I146-F156 WeakPolarHBondContact CA-O 3.46Å
147	Y	94.6	Very high	92.4	Very high	15 Å²	15	60.5 Å²	60.5	6%	0.059	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	123.1	175.4	177.5	-79.9	0	0	0	109.6	E134 I135 M149 S155 F156 I182	E134-Y147 HydrophobicContact CB-CD2 4.36Å; E134-Y147 HydrophobicContact CB-CE2 3.91Å; E134-Y147 WeakPolarHBondContact OE2-CE2 3.01Å; E134-Y147 VanDerWaalsContact OE2-CZ 3.25Å; E134-Y147 PolarHBondContact OE2-OH 2.75Å; I135-Y147 HydrophobicContact CD1-CD2 4.01Å; I135-Y147 HydrophobicContact CG1-CD2 3.56Å; I135-Y147 HydrophobicContact CG1-CE2 4.31Å; I135-Y147 HydrophobicContact CG1-CG 4.42Å; Y147-M149 HydrophobicContact CD1-CB 4.49Å; Y147-M149 HydrophobicContact CE1-CB 4.02Å; Y147-M149 HydrophobicContact CE1-CE 3.98Å; Y147-S155 WeakPolarHBondContact O-CA 3.49Å; Y147-F156 AromaticContact CD1-CD2 3.86Å; Y147-F156 HydrophobicContact CD1-CD2 3.86Å; Y147-F156 HydrophobicContact CD1-CE2 4.46Å; Y147-F156 PolarHBondContact N-O 2.94Å; Y147-F156 PolarHBondContact O-N 2.76Å; Y147-I182 HydrophobicContact CD1-CD1 3.47Å; Y147-I182 VanDerWaalsContact CD1-CD1 3.47Å; Y147-I182 HydrophobicContact CD1-CG1 4.4Å; Y147-I182 HydrophobicContact CD2-CD1 4.41Å; Y147-I182 HydrophobicContact CE1-CD1 3.9Å; Y147-I182 HydrophobicContact CE1-CG1 4.37Å; Y147-I182 HydrophobicContact CG-CD1 3.78Å
148	F	94.5	Very high	92.4	Very high	112 Å²	112	58 Å²	58	49%	0.491	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	117.5	178.9	-62	-77.4	0	0	0	110.4	E134 I146	E134-F148 PolarHBondContact O-N 3.38Å; I146-F148 HydrophobicContact CB-CE2 4.46Å; I146-F148 HydrophobicContact CB-CZ 4.5Å; I146-F148 HydrophobicContact CG2-CD1 4.42Å; I146-F148 HydrophobicContact CG2-CD2 4.31Å; I146-F148 HydrophobicContact CG2-CE1 3.83Å; I146-F148 HydrophobicContact CG2-CE2 3.71Å; I146-F148 HydrophobicContact CG2-CZ 3.44Å; I146-F148 VanDerWaalsContact CG2-CZ 3.44Å
149	M	92	Very high	92.6	Very high	18 Å²	18	56 Å²	56	9%	0.089	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	132.9	173.3	-169.9	173.7	-72.1	0	0	109.3	Y147 P152 K153 V154 F156 A178 K181 I182	Y147-M149 HydrophobicContact CD1-CB 4.49Å; Y147-M149 HydrophobicContact CE1-CB 4.02Å; Y147-M149 HydrophobicContact CE1-CE 3.98Å; M149-P152 CarbonylContact C-O 3.36Å; M149-P152 VanDerWaalsContact O-O 3.12Å; M149-K153 VanDerWaalsContact O-CA 3.31Å; M149-K153 WeakPolarHBondContact O-CA 3.44Å; M149-V154 HydrophobicContact CB-CG2 3.82Å; M149-V154 HydrophobicContact CG-CG2 4.49Å; M149-V154 PolarHBondContact N-O 2.92Å; M149-V154 PolarHBondContact O-N 3.35Å; M149-V154 HydrophobicContact SD-CG2 4.3Å; M149-F156 HydrophobicContact CB-CE2 4.12Å; M149-F156 HydrophobicContact CE-CE2 3.73Å; M149-F156 HydrophobicContact CE-CZ 4.19Å; M149-F156 HydrophobicContact SD-CE2 4.21Å; M149-A178 HydrophobicContact SD-CB 3.87Å; M149-K181 HydrophobicContact CE-CB 3.85Å; M149-K181 HydrophobicContact SD-CB 4.35Å; M149-K181 HydrophobicContact SD-CD 4.16Å; M149-I182 HydrophobicContact CE-CB 4.06Å
150	A	90.3	Very high	92.7	Very high	76 Å²	76	59.1 Å²	59.1	63%	0.628	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-34.7	178.2	0	0	0	0	0	113.1	P152 K153	A150-P152 CarbonylContact C-O 3.49Å; A150-P152 CarbonylContact O-C 3.56Å; A150-K153 WeakPolarHBondContact O-CA 3.26Å; A150-K153 PolarHBondContact O-N 3.08Å
151	N	88.1	Confident	92.9	Very high	126 Å²	126	56.4 Å²	56.4	67%	0.674	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135	101.2	-173.8	-76.7	-26.1	0	0	0	112	K181	N151-K181 PolarHBondContact O-NZ 3.48Å
152	P	89.1	Confident	92.8	Very high	19 Å²	19	51.7 Å²	51.7	12%	0.123	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	cis	-67.4	159.6	-7.1	31	-36	0	0	0	111.8	M149 A150 V154 D174 A178	M149-P152 CarbonylContact C-O 3.36Å; M149-P152 VanDerWaalsContact O-O 3.12Å; A150-P152 CarbonylContact C-O 3.49Å; A150-P152 CarbonylContact O-C 3.56Å; P152-V154 HydrophobicContact CB-CG1 4.36Å; P152-V154 HydrophobicContact CG-CG1 4.21Å; P152-V154 PolarHBondContact O-N 3.26Å; P152-D174 HydrophobicContact CB-CB 3.86Å; P152-D174 HydrophobicContact CG-CB 4.01Å; P152-D174 WeakPolarHBondContact CG-O 3.46Å; P152-A178 HydrophobicContact CG-CB 3.72Å
153	K	92.6	Very high	93.1	Very high	175 Å²	175	52.6 Å²	52.6	76%	0.761	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	85.2	-177.4	-173.2	-176.2	177.8	-177.5	0	110.3	M149 A150	M149-K153 VanDerWaalsContact O-CA 3.31Å; M149-K153 WeakPolarHBondContact O-CA 3.44Å; A150-K153 WeakPolarHBondContact O-CA 3.26Å; A150-K153 PolarHBondContact O-N 3.08Å
154	V	94.4	Very high	93.3	Very high	5 Å²	5	48.7 Å²	48.7	3%	0.03	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	155.6	-177.7	-58.4	0	0	0	0	111.6	M149 P152 F156 I166 C167 A169 A178	M149-V154 HydrophobicContact CB-CG2 3.82Å; M149-V154 HydrophobicContact CG-CG2 4.49Å; M149-V154 PolarHBondContact N-O 2.92Å; M149-V154 PolarHBondContact O-N 3.35Å; M149-V154 HydrophobicContact SD-CG2 4.3Å; P152-V154 HydrophobicContact CB-CG1 4.36Å; P152-V154 HydrophobicContact CG-CG1 4.21Å; P152-V154 PolarHBondContact O-N 3.26Å; V154-F156 HydrophobicContact CG2-CD2 4.07Å; V154-F156 HydrophobicContact CG2-CE2 3.38Å; V154-F156 HydrophobicContact CG2-CZ 3.95Å; V154-I166 HydrophobicContact CB-CG2 4.22Å; V154-I166 HydrophobicContact CG2-CG2 4.35Å; V154-C167 WeakPolarHBondContact CA-O 3.33Å; V154-A169 HydrophobicContact CG1-CB 3.85Å; V154-A178 HydrophobicContact CG1-CB 4.48Å; V154-A178 HydrophobicContact CG2-CB 3.5Å; V154-A178 VanDerWaalsContact CG2-CB 3.5Å
155	S	94.1	Very high	93.3	Very high	13 Å²	13	51.3 Å²	51.3	9%	0.091	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	127.8	173.8	57.9	0	0	0	0	110.2	Y147 C167	Y147-S155 WeakPolarHBondContact O-CA 3.49Å; S155-C167 PolarHBondContact N-O 2.94Å; S155-C167 PolarHBondContact O-N 2.8Å
156	F	95.6	Very high	93.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	129	174.6	-65.3	-98.5	0	0	0	110	I146 Y147 M149 V154 I158 V164 F165 I166 A178 F179 I182	I146-F156 CarbonylContact C-O 3.51Å; I146-F156 VanDerWaalsContact CA-O 3.28Å; I146-F156 WeakPolarHBondContact CA-O 3.46Å; Y147-F156 AromaticContact CD1-CD2 3.86Å; Y147-F156 HydrophobicContact CD1-CD2 3.86Å; Y147-F156 HydrophobicContact CD1-CE2 4.46Å; Y147-F156 PolarHBondContact N-O 2.94Å; Y147-F156 PolarHBondContact O-N 2.76Å; M149-F156 HydrophobicContact CB-CE2 4.12Å; M149-F156 HydrophobicContact CE-CE2 3.73Å; M149-F156 HydrophobicContact CE-CZ 4.19Å; M149-F156 HydrophobicContact SD-CE2 4.21Å; V154-F156 HydrophobicContact CG2-CD2 4.07Å; V154-F156 HydrophobicContact CG2-CE2 3.38Å; V154-F156 HydrophobicContact CG2-CZ 3.95Å; F156-I158 HydrophobicContact CB-CD1 3.98Å; F156-I158 HydrophobicContact CB-CG1 4.04Å; F156-V164 HydrophobicContact CD1-CG1 3.89Å; F156-F165 CarbonylContact C-O 3.4Å; F156-F165 VanDerWaalsContact CA-O 3.3Å; F156-F165 WeakPolarHBondContact CA-O 3.49Å; F156-I166 HydrophobicContact CD1-CB 4.4Å; F156-I166 HydrophobicContact CD1-CD1 4.13Å; F156-I166 HydrophobicContact CD1-CG1 3.67Å; F156-I166 HydrophobicContact CD1-CG2 4.21Å; F156-I166 HydrophobicContact CE1-CB 4.39Å; F156-I166 HydrophobicContact CE1-CD1 3.58Å; F156-I166 HydrophobicContact CE1-CG1 3.63Å; F156-I166 HydrophobicContact CE1-CG2 3.95Å; F156-I166 HydrophobicContact CZ-CD1 4.47Å; F156-I166 HydrophobicContact CZ-CG2 4.21Å; F156-A178 HydrophobicContact CE2-CB 4.06Å; F156-A178 HydrophobicContact CZ-CB 3.54Å; F156-F179 HydrophobicContact CE1-CD2 4.48Å; F156-I182 HydrophobicContact CB-CD1 4.09Å; F156-I182 HydrophobicContact CD1-CD1 3.95Å; F156-I182 HydrophobicContact CD1-CG2 4.11Å; F156-I182 HydrophobicContact CD2-CD1 3.7Å; F156-I182 HydrophobicContact CE1-CB 4.41Å; F156-I182 HydrophobicContact CE1-CD1 4.27Å; F156-I182 HydrophobicContact CE1-CG2 3.58Å; F156-I182 HydrophobicContact CE2-CB 4.48Å; F156-I182 HydrophobicContact CE2-CD1 4Å; F156-I182 HydrophobicContact CE2-CG2 4.48Å; F156-I182 HydrophobicContact CG-CD1 3.65Å; F156-I182 HydrophobicContact CZ-CB 4.19Å; F156-I182 HydrophobicContact CZ-CD1 4.28Å; F156-I182 HydrophobicContact CZ-CG2 3.77Å
157	T	95.7	Very high	93.2	Very high	27 Å²	27	51.1 Å²	51.1	17%	0.166	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	108.7	168.8	-55.2	0	0	0	0	108.3	A144 L145 Y159 V164 F165	A144-T157 HydrophobicContact CB-CG2 3.57Å; L145-T157 WeakPolarHBondContact O-CA 3.25Å; T157-Y159 HydrophobicContact CG2-CE2 3.85Å; T157-V164 WeakPolarHBondContact O-CA 3.19Å; T157-F165 PolarHBondContact N-O 2.89Å; T157-F165 PolarHBondContact O-N 2.99Å
158	I	95.4	Very high	93	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	120.8	-168.6	-60	154	0	0	0	109.6	I122 L124 M127 A144 L145 F156 V164 I182 L186	I122-I158 HydrophobicContact CD1-CG2 3.57Å; L124-I158 HydrophobicContact CD2-CG2 4Å; M127-I158 HydrophobicContact CE-CD1 4.27Å; A144-I158 WeakPolarHBondContact CA-O 3.23Å; A144-I158 WeakPolarHBondContact CB-O 3.14Å; L145-I158 HydrophobicContact CD2-CD1 4.05Å; L145-I158 PolarHBondContact N-O 3.32Å; L145-I158 PolarHBondContact O-N 3.01Å; F156-I158 HydrophobicContact CB-CD1 3.98Å; F156-I158 HydrophobicContact CB-CG1 4.04Å; I158-V164 HydrophobicContact CG1-CG1 4.12Å; I158-V164 HydrophobicContact CG1-CG2 4.27Å; I158-V164 HydrophobicContact CG2-CG2 4.32Å; I158-I182 HydrophobicContact CD1-CD1 3.99Å; I158-L186 HydrophobicContact CD1-CD2 3.81Å; I158-L186 HydrophobicContact CG2-CD2 4.4Å
159	Y	94.8	Very high	92.9	Very high	71 Å²	71	49.9 Å²	49.9	28%	0.278	26%	0.26	S	S	.	.			trans	-93.1	152.4	177.4	-69.1	-98.5	0	0	0	111.1	P143 A144 T157 T161 G162 K163 F165	P143-Y159 HydrophobicContact CG-CE1 4.44Å; A144-Y159 HydrophobicContact CB-CD1 3.78Å; A144-Y159 HydrophobicContact CB-CD2 3.89Å; A144-Y159 HydrophobicContact CB-CE1 3.71Å; A144-Y159 HydrophobicContact CB-CE2 3.78Å; A144-Y159 HydrophobicContact CB-CG 3.88Å; T157-Y159 HydrophobicContact CG2-CE2 3.85Å; Y159-T161 PolarHBondContact O-N 2.91Å; Y159-T161 VanDerWaalsContact O-N 3.1Å; Y159-G162 PolarHBondContact O-N 3.13Å; Y159-K163 HydrophobicContact CD2-CB 4.37Å; Y159-K163 WeakPolarHBondContact CD2-O 3.35Å; Y159-K163 PolarHBondContact N-O 2.93Å; Y159-F165 HydrophobicContact CD2-CD2 4.15Å; Y159-F165 HydrophobicContact CD2-CE2 4.08Å; Y159-F165 AromaticContact CE2-CD2 3.65Å; Y159-F165 HydrophobicContact CE2-CD2 3.65Å; Y159-F165 AromaticContact CE2-CE2 3.57Å; Y159-F165 HydrophobicContact CE2-CE2 3.57Å
160	K	91.9	Very high	92.7	Very high	135 Å²	135	52.6 Å²	52.6	59%	0.587	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-30	176	-175.2	179.3	179.1	-177.2	0	112.4	S121 I122 L124 G162	S121-K160 VanDerWaalsContact CA-O 3.28Å; S121-K160 WeakPolarHBondContact CA-O 3.49Å; S121-K160 WeakPolarHBondContact CB-O 3.28Å; I122-K160 PolarHBondContact N-O 2.95Å; L124-K160 HydrophobicContact CD1-CB 4.09Å; L124-K160 HydrophobicContact CG-CB 4.32Å; K160-G162 PolarHBondContact O-N 3.15Å
161	T	91.4	Very high	92.7	Very high	92 Å²	92	53.7 Å²	53.7	56%	0.564	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-5.5	178.1	57.8	0	0	0	0	114.5	Q117 Y159	Q117-T161 PolarHBondContact NE2-O 2.86Å; Y159-T161 PolarHBondContact O-N 2.91Å; Y159-T161 VanDerWaalsContact O-N 3.1Å
162	G	90.7	Very high	92.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.258	C	S	.	.	S	Bend	trans	86.8	1.3	-174.8	0	0	0	0	0	114.3	L118 F120 Y159 K160	L118-G162 VanDerWaalsContact CB-O 3.32Å; L118-G162 WeakPolarHBondContact CB-O 3.49Å; L118-G162 WeakPolarHBondContact CG-O 3.37Å; L118-G162 PolarHBondContact N-O 3.17Å; F120-G162 WeakPolarHBondContact O-CA 3.21Å; Y159-G162 PolarHBondContact O-N 3.13Å; K160-G162 PolarHBondContact O-N 3.15Å
163	K	94.1	Very high	92.9	Very high	90 Å²	90	55.7 Å²	55.7	39%	0.391	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	128.3	172.2	-160.2	175.2	-172	179.2	0	109.8	Y159 F165	Y159-K163 HydrophobicContact CD2-CB 4.37Å; Y159-K163 WeakPolarHBondContact CD2-O 3.35Å; Y159-K163 PolarHBondContact N-O 2.93Å; K163-F165 HydrophobicContact CD-CE2 3.83Å; K163-F165 HydrophobicContact CD-CZ 3.9Å; K163-F165 VanDerWaalsContact CE-CZ 3.41Å; K163-F165 HydrophobicContact CG-CE2 3.93Å; K163-F165 HydrophobicContact CG-CZ 4.28Å
164	V	95.2	Very high	92.9	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	128.3	-177.1	-177.6	0	0	0	0	109.5	T115 C116 L118 F156 T157 I158 I166 L186	T115-V164 CarbonylContact C-O 3.57Å; T115-V164 WeakPolarHBondContact CA-O 3.28Å; C116-V164 HydrophobicContact CB-CB 4.43Å; C116-V164 PolarHBondContact N-O 3.38Å; C116-V164 PolarHBondContact O-N 3.48Å; L118-V164 HydrophobicContact CD1-CG2 3.68Å; L118-V164 HydrophobicContact CG-CG2 4.02Å; F156-V164 HydrophobicContact CD1-CG1 3.89Å; T157-V164 WeakPolarHBondContact O-CA 3.19Å; I158-V164 HydrophobicContact CG1-CG1 4.12Å; I158-V164 HydrophobicContact CG1-CG2 4.27Å; I158-V164 HydrophobicContact CG2-CG2 4.32Å; V164-I166 HydrophobicContact CG1-CG1 4.28Å; V164-L186 HydrophobicContact CG2-CD1 4.41Å
165	F	95.5	Very high	92.8	Very high	57 Å²	57	48.7 Å²	48.7	25%	0.25	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	139.9	169.4	-61.4	-92.6	0	0	0	109.5	G114 F156 T157 Y159 K163	G114-F165 WeakPolarHBondContact O-CA 3.32Å; F156-F165 CarbonylContact C-O 3.4Å; F156-F165 VanDerWaalsContact CA-O 3.3Å; F156-F165 WeakPolarHBondContact CA-O 3.49Å; T157-F165 PolarHBondContact N-O 2.89Å; T157-F165 PolarHBondContact O-N 2.99Å; Y159-F165 HydrophobicContact CD2-CD2 4.15Å; Y159-F165 HydrophobicContact CD2-CE2 4.08Å; Y159-F165 AromaticContact CE2-CD2 3.65Å; Y159-F165 HydrophobicContact CE2-CD2 3.65Å; Y159-F165 AromaticContact CE2-CE2 3.57Å; Y159-F165 HydrophobicContact CE2-CE2 3.57Å; K163-F165 HydrophobicContact CD-CE2 3.83Å; K163-F165 HydrophobicContact CD-CZ 3.9Å; K163-F165 VanDerWaalsContact CE-CZ 3.41Å; K163-F165 HydrophobicContact CG-CE2 3.93Å; K163-F165 HydrophobicContact CG-CZ 4.28Å
166	I	95	Very high	92.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	126.2	-179	-43.3	176.8	0	0	0	106.9	V17 A113 G114 V154 F156 V164 L175 F179	V17-I166 HydrophobicContact CG1-CD1 3.96Å; V17-I166 HydrophobicContact CG2-CD1 4.14Å; A113-I166 CarbonylContact C-O 3.47Å; A113-I166 VanDerWaalsContact CA-O 3.24Å; A113-I166 WeakPolarHBondContact CA-O 3.47Å; G114-I166 PolarHBondContact N-O 3.36Å; G114-I166 PolarHBondContact O-N 2.89Å; V154-I166 HydrophobicContact CB-CG2 4.22Å; V154-I166 HydrophobicContact CG2-CG2 4.35Å; F156-I166 HydrophobicContact CD1-CB 4.4Å; F156-I166 HydrophobicContact CD1-CD1 4.13Å; F156-I166 HydrophobicContact CD1-CG1 3.67Å; F156-I166 HydrophobicContact CD1-CG2 4.21Å; F156-I166 HydrophobicContact CE1-CB 4.39Å; F156-I166 HydrophobicContact CE1-CD1 3.58Å; F156-I166 HydrophobicContact CE1-CG1 3.63Å; F156-I166 HydrophobicContact CE1-CG2 3.95Å; F156-I166 HydrophobicContact CZ-CD1 4.47Å; F156-I166 HydrophobicContact CZ-CG2 4.21Å; V164-I166 HydrophobicContact CG1-CG1 4.28Å; I166-L175 HydrophobicContact CB-CD2 3.72Å; I166-L175 HydrophobicContact CG2-CD2 3.47Å; I166-L175 VanDerWaalsContact CG2-CD2 3.47Å; I166-F179 HydrophobicContact CD1-CB 4.22Å; I166-F179 HydrophobicContact CD1-CD2 4.04Å
167	C	92.2	Very high	92.6	Very high	43 Å²	43	57.3 Å²	57.3	29%	0.291	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	165.7	-179.9	-56.2	0	0	0	0	110.8	V154 S155 A169	V154-C167 WeakPolarHBondContact CA-O 3.33Å; S155-C167 PolarHBondContact N-O 2.94Å; S155-C167 PolarHBondContact O-N 2.8Å; C167-A169 VanDerWaalsContact C-N 3.32Å; C167-A169 PolarHBondContact O-N 2.85Å
168	N	89.9	Confident	92.5	Very high	99 Å²	99	56 Å²	56	53%	0.529	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	68.8	17.7	177.9	-56.8	-22.6	0	0	0	115.7	S111	S111-N168 WeakPolarHBondContact OG-CA 3.4Å; S111-N168 PolarHBondContact OG-N 3.2Å
169	A	92.2	Very high	92.4	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.008	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	140	169.3	0	0	0	0	0	110.3	S111 V112 V154 C167 D174 L175	S111-A169 CarbonylContact C-O 3.47Å; S111-A169 WeakPolarHBondContact CA-O 3.39Å; V112-A169 HydrophobicContact CB-CB 4.43Å; V112-A169 PolarHBondContact N-O 2.98Å; V112-A169 PolarHBondContact O-N 3.49Å; V154-A169 HydrophobicContact CG1-CB 3.85Å; C167-A169 VanDerWaalsContact C-N 3.32Å; C167-A169 PolarHBondContact O-N 2.85Å; A169-D174 HydrophobicContact CB-CB 4.22Å; A169-L175 HydrophobicContact CB-CD2 3.51Å; A169-L175 HydrophobicContact CB-CG 3.65Å
170	S	88.3	Confident	92.3	Very high	75 Å²	75	58.2 Å²	58.2	52%	0.524	29%	0.285	S	S	.	.	S	Bend	trans	-77.3	-36.3	177.2	-56.8	0	0	0	0	111.9
171	E	90.3	Very high	92.2	Very high	100 Å²	100	57 Å²	57	47%	0.467	28%	0.28	S	S	.	.	S	Bend	trans	-134.6	157.9	-177.9	-64	-179.4	-176.7	0	0	110.1	Q173 D174	E171-Q173 PolarHBondContact O-N 3.09Å; E171-D174 PolarHBondContact O-N 3.45Å; E171-D174 VanDerWaalsContact O-N 3.14Å
172	E	90.6	Very high	92.2	Very high	77 Å²	77	52.7 Å²	52.7	36%	0.36	25%	0.254	S	S	.	.	H	α-helix	trans	-57.1	-35.9	174.7	-177.4	172.4	178.8	0	0	112.7	V19 E81 D174 L175 H176	V19-E172 HydrophobicContact CG2-CG 3.75Å; E81-E172 PolarHBondContact OE1-N 2.96Å; E172-D174 VanDerWaalsContact C-N 3.27Å; E172-D174 PolarHBondContact O-N 2.81Å; E172-L175 WeakPolarHBondContact O-CB 3.3Å; E172-L175 PolarHBondContact O-N 3.03Å; E172-L175 VanDerWaalsContact O-N 3.13Å; E172-H176 PolarHBondContact O-CD2 3.41Å; E172-H176 VanDerWaalsContact O-CD2 3.32Å
173	Q	91.6	Very high	92.3	Very high	110 Å²	110	53.8 Å²	53.8	51%	0.514	26%	0.258	S	S	.	.	H	α-helix	trans	-63	-33.2	178.7	-63.4	-176.5	21.9	0	0	113	E171 L175 H176 R177	E171-Q173 PolarHBondContact O-N 3.09Å; Q173-L175 VanDerWaalsContact C-N 3.28Å; Q173-L175 PolarHBondContact O-N 3.17Å; Q173-H176 PolarHBondContact O-N 3.34Å; Q173-R177 WeakPolarHBondContact O-CG 3.31Å; Q173-R177 PolarHBondContact O-N 3.39Å
174	D	92.2	Very high	92	Very high	31 Å²	31	52.7 Å²	52.7	17%	0.166	26%	0.26	C	S	.	.	H	α-helix	trans	-68.2	-30.2	178.4	-77.1	-19	0	0	0	111.5	P152 A169 E171 E172 R177 A178	P152-D174 HydrophobicContact CB-CB 3.86Å; P152-D174 HydrophobicContact CG-CB 4.01Å; P152-D174 WeakPolarHBondContact CG-O 3.46Å; A169-D174 HydrophobicContact CB-CB 4.22Å; E171-D174 PolarHBondContact O-N 3.45Å; E171-D174 VanDerWaalsContact O-N 3.14Å; E172-D174 VanDerWaalsContact C-N 3.27Å; E172-D174 PolarHBondContact O-N 2.81Å; D174-R177 IonicContact OD1-NH1 3.18Å; D174-A178 WeakPolarHBondContact O-CB 3.5Å; D174-A178 PolarHBondContact O-N 3.26Å
175	L	92	Very high	91.7	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-61.4	-48.1	172.8	-68.5	174.2	0	0	0	111.4	V17 V19 V112 I166 A169 E172 Q173 A178 F179	V17-L175 HydrophobicContact CG1-CB 4.41Å; V19-L175 HydrophobicContact CG2-CD1 4.16Å; V112-L175 HydrophobicContact CB-CD1 4.23Å; V112-L175 HydrophobicContact CG1-CD1 3.54Å; V112-L175 HydrophobicContact CG1-CG 4.46Å; I166-L175 HydrophobicContact CB-CD2 3.72Å; I166-L175 HydrophobicContact CG2-CD2 3.47Å; I166-L175 VanDerWaalsContact CG2-CD2 3.47Å; A169-L175 HydrophobicContact CB-CD2 3.51Å; A169-L175 HydrophobicContact CB-CG 3.65Å; E172-L175 WeakPolarHBondContact O-CB 3.3Å; E172-L175 PolarHBondContact O-N 3.03Å; E172-L175 VanDerWaalsContact O-N 3.13Å; Q173-L175 VanDerWaalsContact C-N 3.28Å; Q173-L175 PolarHBondContact O-N 3.17Å; L175-A178 PolarHBondContact O-N 3.14Å; L175-F179 WeakPolarHBondContact O-CB 3.42Å; L175-F179 PolarHBondContact O-N 3.18Å
176	H	92.5	Very high	91.4	Very high	67 Å²	67	51.7 Å²	51.7	31%	0.31	26%	0.257	S	S	.	.	H	α-helix	trans	-64.6	-48.3	-179.9	-67.9	-72.8	0	0	0	111.5	E172 Q173 A178 F179 E180	E172-H176 PolarHBondContact O-CD2 3.41Å; E172-H176 VanDerWaalsContact O-CD2 3.32Å; Q173-H176 PolarHBondContact O-N 3.34Å; H176-A178 VanDerWaalsContact C-N 3.31Å; H176-A178 PolarHBondContact O-N 2.81Å; H176-F179 PolarHBondContact O-N 3.49Å; H176-E180 WeakPolarHBondContact O-CG 3.42Å; H176-E180 PolarHBondContact O-N 2.84Å
177	R	92.8	Very high	91.1	Very high	127 Å²	127	55.5 Å²	55.5	48%	0.479	27%	0.271	S	S	.	.	H	α-helix	trans	-60.6	-38.9	177.3	-70.6	175.3	-178.8	161.7	4.9	112.7	Q173 D174 K181	Q173-R177 WeakPolarHBondContact O-CG 3.31Å; Q173-R177 PolarHBondContact O-N 3.39Å; D174-R177 IonicContact OD1-NH1 3.18Å; R177-K181 WeakPolarHBondContact O-CG 3.36Å; R177-K181 PolarHBondContact O-N 3.32Å
178	A	93.7	Very high	90.8	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-67.9	-42.1	177.2	0	0	0	0	0	111.3	M149 P152 V154 F156 D174 L175 H176 K181 I182	M149-A178 HydrophobicContact SD-CB 3.87Å; P152-A178 HydrophobicContact CG-CB 3.72Å; V154-A178 HydrophobicContact CG1-CB 4.48Å; V154-A178 HydrophobicContact CG2-CB 3.5Å; V154-A178 VanDerWaalsContact CG2-CB 3.5Å; F156-A178 HydrophobicContact CE2-CB 4.06Å; F156-A178 HydrophobicContact CZ-CB 3.54Å; D174-A178 WeakPolarHBondContact O-CB 3.5Å; D174-A178 PolarHBondContact O-N 3.26Å; L175-A178 PolarHBondContact O-N 3.14Å; H176-A178 VanDerWaalsContact C-N 3.31Å; H176-A178 PolarHBondContact O-N 2.81Å; A178-K181 PolarHBondContact O-N 3.49Å; A178-I182 PolarHBondContact O-N 2.74Å; A178-I182 VanDerWaalsContact O-N 3.12Å
179	F	93.6	Very high	90.5	Very high	4 Å²	4	57.6 Å²	57.6	2%	0.018	28%	0.275	C	S	.	.	H	α-helix	trans	-65	-41.6	179.4	-169.5	-103.5	0	0	0	112.2	M14 P15 V17 C116 L118 F156 I166 L175 H176 K181 I182 Y183	M14-F179 HydrophobicContact CG-CD1 4.37Å; M14-F179 HydrophobicContact CG-CE1 3.87Å; M14-F179 HydrophobicContact SD-CD1 4.35Å; M14-F179 HydrophobicContact SD-CE1 4.39Å; P15-F179 HydrophobicContact CG-CE1 4.19Å; P15-F179 HydrophobicContact CG-CZ 3.94Å; P15-F179 VanDerWaalsContact O-CE1 3.29Å; P15-F179 WeakPolarHBondContact O-CE1 3.46Å; V17-F179 HydrophobicContact CG2-CB 3.54Å; V17-F179 HydrophobicContact CG2-CD1 3.66Å; V17-F179 HydrophobicContact CG2-CD2 3.81Å; V17-F179 HydrophobicContact CG2-CE1 4.32Å; V17-F179 HydrophobicContact CG2-CE2 4.46Å; V17-F179 HydrophobicContact CG2-CG 3.36Å; C116-F179 HydrophobicContact CB-CE2 3.92Å; C116-F179 HydrophobicContact CB-CZ 4.21Å; C116-F179 WeakPolarHBondContact SG-CZ 3.25Å; L118-F179 HydrophobicContact CD2-CE2 4.38Å; L118-F179 HydrophobicContact CD2-CZ 3.92Å; F156-F179 HydrophobicContact CE1-CD2 4.48Å; I166-F179 HydrophobicContact CD1-CB 4.22Å; I166-F179 HydrophobicContact CD1-CD2 4.04Å; L175-F179 WeakPolarHBondContact O-CB 3.42Å; L175-F179 PolarHBondContact O-N 3.18Å; H176-F179 PolarHBondContact O-N 3.49Å; F179-K181 PolarHBondContact O-N 3.29Å; F179-I182 HydrophobicContact CD2-CG2 4.32Å; F179-I182 PolarHBondContact O-N 2.8Å; F179-Y183 HydrophobicContact CE1-CD2 4.06Å; F179-Y183 HydrophobicContact CE1-CG 4.44Å; F179-Y183 AromaticContact CZ-CD2 3.96Å; F179-Y183 HydrophobicContact CZ-CD2 3.96Å; F179-Y183 VanDerWaalsContact O-CB 3.26Å; F179-Y183 WeakPolarHBondContact O-CB 3.15Å; F179-Y183 PolarHBondContact O-N 3.43Å
180	E	92	Very high	90.2	Very high	113 Å²	113	58.8 Å²	58.8	53%	0.528	28%	0.283	S	S	.	.	H	α-helix	trans	-57.9	-35.7	174.2	-75.2	174.6	-179.6	0	0	112.8	M14 H176 P184	M14-E180 HydrophobicContact CE-CG 4.13Å; M14-E180 HydrophobicContact SD-CG 4.35Å; H176-E180 WeakPolarHBondContact O-CG 3.42Å; H176-E180 PolarHBondContact O-N 2.84Å; E180-P184 WeakPolarHBondContact O-CD 3.32Å
181	K	91.4	Very high	89.5	Confident	111 Å²	111	58 Å²	58	48%	0.483	27%	0.273	S	S	.	.	H	α-helix	trans	-73.9	-40.8	177.7	-72.6	179.7	-174.6	-174.9	0	113.2	M149 N151 R177 A178 F179	M149-K181 HydrophobicContact CE-CB 3.85Å; M149-K181 HydrophobicContact SD-CB 4.35Å; M149-K181 HydrophobicContact SD-CD 4.16Å; N151-K181 PolarHBondContact O-NZ 3.48Å; R177-K181 WeakPolarHBondContact O-CG 3.36Å; R177-K181 PolarHBondContact O-N 3.32Å; A178-K181 PolarHBondContact O-N 3.49Å; F179-K181 PolarHBondContact O-N 3.29Å
182	I	91.5	Very high	88.2	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-82.8	-28.8	-176	-154.9	174.3	0	0	0	112.3	Y147 M149 F156 I158 A178 F179 I185 L186	Y147-I182 HydrophobicContact CD1-CD1 3.47Å; Y147-I182 VanDerWaalsContact CD1-CD1 3.47Å; Y147-I182 HydrophobicContact CD1-CG1 4.4Å; Y147-I182 HydrophobicContact CD2-CD1 4.41Å; Y147-I182 HydrophobicContact CE1-CD1 3.9Å; Y147-I182 HydrophobicContact CE1-CG1 4.37Å; Y147-I182 HydrophobicContact CG-CD1 3.78Å; M149-I182 HydrophobicContact CE-CB 4.06Å; F156-I182 HydrophobicContact CB-CD1 4.09Å; F156-I182 HydrophobicContact CD1-CD1 3.95Å; F156-I182 HydrophobicContact CD1-CG2 4.11Å; F156-I182 HydrophobicContact CD2-CD1 3.7Å; F156-I182 HydrophobicContact CE1-CB 4.41Å; F156-I182 HydrophobicContact CE1-CD1 4.27Å; F156-I182 HydrophobicContact CE1-CG2 3.58Å; F156-I182 HydrophobicContact CE2-CB 4.48Å; F156-I182 HydrophobicContact CE2-CD1 4Å; F156-I182 HydrophobicContact CE2-CG2 4.48Å; F156-I182 HydrophobicContact CG-CD1 3.65Å; F156-I182 HydrophobicContact CZ-CB 4.19Å; F156-I182 HydrophobicContact CZ-CD1 4.28Å; F156-I182 HydrophobicContact CZ-CG2 3.77Å; I158-I182 HydrophobicContact CD1-CD1 3.99Å; A178-I182 PolarHBondContact O-N 2.74Å; A178-I182 VanDerWaalsContact O-N 3.12Å; F179-I182 HydrophobicContact CD2-CG2 4.32Å; F179-I182 PolarHBondContact O-N 2.8Å; I182-I185 WeakPolarHBondContact O-CA 3.42Å; I182-I185 VanDerWaalsContact O-CB 3.31Å; I182-I185 WeakPolarHBondContact O-CB 3.23Å; I182-I185 PolarHBondContact O-N 3.35Å; I182-L186 HydrophobicContact CG1-CD1 4.3Å; I182-L186 HydrophobicContact CG1-CD2 4.38Å; I182-L186 HydrophobicContact CG1-CG 4.09Å; I182-L186 HydrophobicContact CG2-CD1 4Å; I182-L186 WeakPolarHBondContact O-CG 3.47Å; I182-L186 PolarHBondContact O-N 3.03Å
183	Y	91.3	Very high	86.1	Confident	22 Å²	22	57.2 Å²	57.2	9%	0.086	28%	0.284	C	S	.	.	H	α-helix	trans	-54.7	-45.6	-175.3	-179.9	-104.1	0	0	0	113.7	M12 M14 P15 L118 F120 F179 I185 L186 R187	M12-Y183 PolarHBondContact O-OH 3.47Å; M14-Y183 HydrophobicContact CB-CD1 4.39Å; M14-Y183 HydrophobicContact CB-CE1 4.03Å; M14-Y183 HydrophobicContact CG-CD1 3.95Å; M14-Y183 HydrophobicContact CG-CD2 4.25Å; M14-Y183 HydrophobicContact CG-CE1 4.05Å; M14-Y183 HydrophobicContact CG-CE2 4.36Å; M14-Y183 HydrophobicContact CG-CG 4.05Å; M14-Y183 HydrophobicContact SD-CD1 4.07Å; M14-Y183 HydrophobicContact SD-CG 4.24Å; P15-Y183 HydrophobicContact CG-CE2 4.34Å; L118-Y183 HydrophobicContact CD2-CD2 3.96Å; L118-Y183 HydrophobicContact CD2-CE2 3.94Å; F120-Y183 HydrophobicContact CE1-CE2 4.47Å; F120-Y183 HydrophobicContact CZ-CE2 4.42Å; F179-Y183 HydrophobicContact CE1-CD2 4.06Å; F179-Y183 HydrophobicContact CE1-CG 4.44Å; F179-Y183 AromaticContact CZ-CD2 3.96Å; F179-Y183 HydrophobicContact CZ-CD2 3.96Å; F179-Y183 VanDerWaalsContact O-CB 3.26Å; F179-Y183 WeakPolarHBondContact O-CB 3.15Å; F179-Y183 PolarHBondContact O-N 3.43Å; Y183-I185 VanDerWaalsContact C-N 3.28Å; Y183-I185 PolarHBondContact O-N 3.44Å; Y183-L186 PolarHBondContact O-N 3.31Å; Y183-R187 WeakPolarHBondContact O-CB 3.49Å; Y183-R187 PolarHBondContact O-N 3.29Å
184	P	88.6	Confident	83.7	Confident	68 Å²	68	63 Å²	63	44%	0.442	30%	0.301	S	S	.	.	H	α-helix	trans	-60.1	-36	173.5	-23.8	34	0	0	0	113.5	E180 N188	E180-P184 WeakPolarHBondContact O-CD 3.32Å; P184-N188 VanDerWaalsContact O-CG 3.3Å; P184-N188 PolarHBondContact O-N 3.4Å; P184-N188 PolarHBondContact O-ND2 3.46Å; P184-N188 PolarHBondContact O-OD1 3.1Å
185	I	88.3	Confident	81.1	Confident	34 Å²	34	68.3 Å²	68.3	17%	0.174	32%	0.322	C	S	.	.	H	α-helix	trans	-66.6	-47.6	176.8	-55.5	175.2	0	0	0	109.3	Y131 I182 Y183 R187 N188 W189	Y131-I185 HydrophobicContact CE2-CG2 4.04Å; I182-I185 WeakPolarHBondContact O-CA 3.42Å; I182-I185 VanDerWaalsContact O-CB 3.31Å; I182-I185 WeakPolarHBondContact O-CB 3.23Å; I182-I185 PolarHBondContact O-N 3.35Å; Y183-I185 VanDerWaalsContact C-N 3.28Å; Y183-I185 PolarHBondContact O-N 3.44Å; I185-R187 VanDerWaalsContact C-N 3.31Å; I185-R187 PolarHBondContact O-N 3.22Å; I185-N188 WeakPolarHBondContact O-CB 3.31Å; I185-N188 PolarHBondContact O-N 2.99Å; I185-W189 PolarHBondContact O-N 3.4Å
186	L	90.2	Very high	78.5	Confident	1 Å²	1	72.7 Å²	72.7	1%	0.005	35%	0.353	C	S	.	.	H	α-helix	trans	-63.1	-37.6	179.1	-61.3	178.3	0	0	0	112.1	L118 I122 M127 I158 V164 I182 Y183 N188 W189 S190	L118-L186 HydrophobicContact CD1-CB 4.39Å; L118-L186 HydrophobicContact CD1-CD1 3.9Å; I122-L186 HydrophobicContact CD1-CB 4.39Å; I122-L186 HydrophobicContact CD1-CD2 4.13Å; M127-L186 HydrophobicContact CE-CD2 4.18Å; M127-L186 HydrophobicContact SD-CD2 3.9Å; I158-L186 HydrophobicContact CD1-CD2 3.81Å; I158-L186 HydrophobicContact CG2-CD2 4.4Å; V164-L186 HydrophobicContact CG2-CD1 4.41Å; I182-L186 HydrophobicContact CG1-CD1 4.3Å; I182-L186 HydrophobicContact CG1-CD2 4.38Å; I182-L186 HydrophobicContact CG1-CG 4.09Å; I182-L186 HydrophobicContact CG2-CD1 4Å; I182-L186 WeakPolarHBondContact O-CG 3.47Å; I182-L186 PolarHBondContact O-N 3.03Å; Y183-L186 PolarHBondContact O-N 3.31Å; L186-N188 VanDerWaalsContact C-N 3.31Å; L186-N188 PolarHBondContact O-N 3.46Å; L186-W189 CarbonylContact O-C 3.58Å; L186-W189 PolarHBondContact O-N 3.02Å; L186-W189 VanDerWaalsContact O-N 3.17Å; L186-S190 PolarHBondContact O-N 3.06Å
187	R	87.2	Confident	76.3	Confident	80 Å²	80	73 Å²	73	30%	0.302	36%	0.36	S	S	.	.	H	α-helix	trans	-61.1	-38.9	175.5	-172.4	177.3	-176.3	-111.8	10.2	112.1	F9 F120 Y183 I185 W189 S190	F9-R187 VanDerWaalsContact CD1-CZ 3.5Å; F9-R187 HydrophobicContact CE1-CG 4.28Å; F120-R187 HydrophobicContact CZ-CB 4.44Å; Y183-R187 WeakPolarHBondContact O-CB 3.49Å; Y183-R187 PolarHBondContact O-N 3.29Å; I185-R187 VanDerWaalsContact C-N 3.31Å; I185-R187 PolarHBondContact O-N 3.22Å; R187-W189 PolarHBondContact O-N 3.45Å; R187-S190 VanDerWaalsContact O-CB 3.3Å; R187-S190 WeakPolarHBondContact O-CB 3.31Å; R187-S190 PolarHBondContact O-N 3.23Å; R187-S190 PolarHBondContact O-OG 3.01Å
188	N	86.3	Confident	74.2	Confident	119 Å²	119	69.8 Å²	69.8	64%	0.636	36%	0.356	S	S	*	.	H	α-helix	trans	-65	-26.1	177.6	-69.8	-15.5	0	0	0	113.2	P184 I185 L186	P184-N188 VanDerWaalsContact O-CG 3.3Å; P184-N188 PolarHBondContact O-N 3.4Å; P184-N188 PolarHBondContact O-ND2 3.46Å; P184-N188 PolarHBondContact O-OD1 3.1Å; I185-N188 WeakPolarHBondContact O-CB 3.31Å; I185-N188 PolarHBondContact O-N 2.99Å; L186-N188 VanDerWaalsContact C-N 3.31Å; L186-N188 PolarHBondContact O-N 3.46Å
189	W	84.8	Confident	72.7	Confident	67 Å²	67	72 Å²	72	25%	0.254	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	15.8	178	-56.7	107.9	0	0	0	112.9	I122 E123 R126 M127 A130 Y131 I185 L186 R187 I191	I122-W189 HydrophobicContact CG2-CB 4.04Å; E123-W189 PolarHBondContact N-O 3.46Å; R126-W189 HydrophobicContact CB-CE3 4.12Å; R126-W189 HydrophobicContact CB-CZ3 3.92Å; M127-W189 HydrophobicContact CB-CB 4.4Å; M127-W189 HydrophobicContact CB-CD2 4.17Å; M127-W189 HydrophobicContact CB-CG 3.97Å; M127-W189 HydrophobicContact CG-CD2 4.38Å; M127-W189 HydrophobicContact CG-CG 3.94Å; M127-W189 HydrophobicContact SD-CB 4.3Å; M127-W189 HydrophobicContact SD-CG 4.11Å; A130-W189 HydrophobicContact CB-CH2 3.82Å; A130-W189 HydrophobicContact CB-CZ2 3.46Å; A130-W189 VanDerWaalsContact CB-CZ2 3.46Å; Y131-W189 HydrophobicContact CE2-CZ2 4.36Å; Y131-W189 AromaticContact CE2-NE1 3.78Å; I185-W189 PolarHBondContact O-N 3.4Å; L186-W189 CarbonylContact O-C 3.58Å; L186-W189 PolarHBondContact O-N 3.02Å; L186-W189 VanDerWaalsContact O-N 3.17Å; R187-W189 PolarHBondContact O-N 3.45Å; W189-I191 PolarHBondContact O-N 3.17Å
190	S	84.2	Confident	71.7	Confident	26 Å²	26	72.1 Å²	72.1	18%	0.182	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	124.2	176.3	59.6	0	0	0	0	109.8	F120 S121 L186 R187 I192	F120-S190 VanDerWaalsContact CD2-CB 3.4Å; S121-S190 CarbonylContact O-C 3.58Å; S121-S190 WeakPolarHBondContact O-CA 3.3Å; L186-S190 PolarHBondContact O-N 3.06Å; R187-S190 VanDerWaalsContact O-CB 3.3Å; R187-S190 WeakPolarHBondContact O-CB 3.31Å; R187-S190 PolarHBondContact O-N 3.23Å; R187-S190 PolarHBondContact O-OG 3.01Å; S190-I192 PolarHBondContact O-N 2.86Å
191	I	73.6	Confident	71	Confident	60 Å²	60	71.8 Å²	71.8	31%	0.308	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	82.2	156.4	-54.2	168.1	0	0	0	103.7	S121 E123 W189 A193	S121-I191 PolarHBondContact O-N 3.47Å; E123-I191 HydrophobicContact CB-CD1 3.83Å; E123-I191 HydrophobicContact CB-CG1 3.67Å; E123-I191 HydrophobicContact CG-CD1 4.25Å; E123-I191 HydrophobicContact CG-CG1 4.42Å; W189-I191 PolarHBondContact O-N 3.17Å; I191-A193 VanDerWaalsContact C-N 3.28Å; I191-A193 PolarHBondContact O-N 2.88Å
192	I	64	Low	70.6	Confident	83 Å²	83	66.5 Å²	66.5	43%	0.426	35%	0.349	S	S	.	.			trans	-58.4	111.5	152.7	-58.4	170.5	0	0	0	102	F9 S190 R194	F9-I192 HydrophobicContact CD1-CD1 4.3Å; F9-I192 HydrophobicContact CE1-CD1 3.82Å; F9-I192 HydrophobicContact CZ-CD1 4.19Å; S190-I192 PolarHBondContact O-N 2.86Å; I192-R194 PolarHBondContact O-N 2.9Å
193	A	46.5	Very low	70.2	Confident	77 Å²	77	69.4 Å²	69.4	64%	0.636	36%	0.362	S	S	*	.			trans	-51.3	105.8	158.6	0	0	0	0	0	102.5	I191 K195	I191-A193 VanDerWaalsContact C-N 3.28Å; I191-A193 PolarHBondContact O-N 2.88Å; A193-K195 PolarHBondContact O-N 3.43Å
194	R	40.9	Very low	69.9	Low	230 Å²	230	68.6 Å²	68.6	87%	0.868	36%	0.359	S	S	*	.			trans	-44.6	113.2	148.7	-78.2	-177.3	175.7	168.1	-2.4	100.1	I192 S196	I192-R194 PolarHBondContact O-N 2.9Å; R194-S196 PolarHBondContact O-N 3.28Å
195	K	37.7	Very low	69.7	Low	143 Å²	143	70.5 Å²	70.5	62%	0.622	36%	0.361	S	S	*	.			trans	-44.9	104.5	158.3	-162.9	-178.5	179.8	-165.9	0	99.4	A193 V197 E218	A193-K195 PolarHBondContact O-N 3.43Å; K195-V197 PolarHBondContact O-N 2.97Å; K195-E218 IonicContact NZ-OE1 2.92Å; K195-E218 PolarHBondContact NZ-OE1 2.97Å; K195-E218 IonicContact NZ-OE2 3.79Å
196	S	37.4	Very low	69.3	Low	94 Å²	94	69.6 Å²	69.6	66%	0.657	36%	0.357	S	S	*	.			trans	-57.9	101.8	171.5	164.4	0	0	0	0	97.6	R194 S198	R194-S196 PolarHBondContact O-N 3.28Å; S196-S198 PolarHBondContact O-N 3.35Å
197	V	45.3	Very low	68.5	Low	73 Å²	73	73.4 Å²	73.4	44%	0.442	40%	0.397	S	S	.	.			trans	-60.2	106.6	175.1	-158.9	0	0	0	0	99.9	K195 A199 D216	K195-V197 PolarHBondContact O-N 2.97Å; V197-A199 WeakPolarHBondContact O-CB 3.36Å; V197-A199 PolarHBondContact O-N 3.19Å; V197-D216 WeakPolarHBondContact CB-OD1 3.41Å; V197-D216 HydrophobicContact CG1-CB 3.38Å; V197-D216 WeakPolarHBondContact CG1-OD1 3.23Å
198	S	50.1	Low	67.6	Low	59 Å²	59	75.7 Å²	75.7	41%	0.413	42%	0.415	S	S	.	.			trans	-65.4	105.9	-168.1	10.9	0	0	0	0	102.9	S196 M200 D217	S196-S198 PolarHBondContact O-N 3.35Å; S198-M200 PolarHBondContact O-N 3.17Å; S198-D217 VanDerWaalsContact CB-CG 3.49Å; S198-D217 WeakPolarHBondContact CB-OD2 3.43Å; S198-D217 PolarHBondContact O-N 3.33Å; S198-D217 PolarHBondContact OG-OD2 2.87Å
199	A	62	Low	67.3	Low	46 Å²	46	71.6 Å²	71.6	38%	0.38	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	98.4	-164.2	0	0	0	0	0	104.8	V197 T214 V215	V197-A199 WeakPolarHBondContact O-CB 3.36Å; V197-A199 PolarHBondContact O-N 3.19Å; A199-T214 HydrophobicContact CB-CG2 3.61Å; A199-V215 CarbonylContact C-O 3.34Å; A199-V215 VanDerWaalsContact CA-O 3.26Å; A199-V215 WeakPolarHBondContact CA-O 3.25Å
200	M	71.4	Confident	67.3	Low	7 Å²	7	73.3 Å²	73.3	3%	0.034	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	129.9	177.4	63.5	-174.6	-54.1	0	0	109.9	S198 I202 V215 L254 I259	S198-M200 PolarHBondContact O-N 3.17Å; M200-I202 HydrophobicContact CE-CD1 3.86Å; M200-I202 HydrophobicContact CE-CG1 3.89Å; M200-I202 HydrophobicContact CG-CD1 4.01Å; M200-I202 HydrophobicContact CG-CG1 3.98Å; M200-I202 HydrophobicContact SD-CD1 3.92Å; M200-I202 HydrophobicContact SD-CG1 4.33Å; M200-V215 HydrophobicContact CG-CB 4.35Å; M200-V215 VanDerWaalsContact CG-O 3.32Å; M200-V215 WeakPolarHBondContact CG-O 3.35Å; M200-V215 PolarHBondContact N-O 2.83Å; M200-V215 PolarHBondContact O-N 3.22Å; M200-L254 HydrophobicContact SD-CB 4.35Å; M200-L254 HydrophobicContact SD-CD1 4.29Å; M200-I259 HydrophobicContact CE-CB 4.28Å; M200-I259 HydrophobicContact CE-CG2 3.69Å; M200-I259 VanDerWaalsContact CE-O 3.25Å; M200-I259 WeakPolarHBondContact CE-O 3.34Å
201	K	78.3	Confident	67.1	Low	106 Å²	106	74.8 Å²	74.8	46%	0.461	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	113.7	169.8	-67.4	-180	-176.5	176.9	0	109.5	Y213 E261 G262	K201-Y213 CarbonylContact C-O 3.45Å; K201-Y213 WeakPolarHBondContact CA-O 3.44Å; K201-E261 HydrophobicContact CB-CG 4.43Å; K201-G262 PolarHBondContact O-N 3.47Å
202	I	82.3	Confident	67.6	Low	0 Å²	0	76.9 Å²	76.9	0%	0	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	132.7	178.6	-57.4	177.2	0	0	0	108.8	M200 V204 E212 Y213 V215 L224 L254 I259 I265	M200-I202 HydrophobicContact CE-CD1 3.86Å; M200-I202 HydrophobicContact CE-CG1 3.89Å; M200-I202 HydrophobicContact CG-CD1 4.01Å; M200-I202 HydrophobicContact CG-CG1 3.98Å; M200-I202 HydrophobicContact SD-CD1 3.92Å; M200-I202 HydrophobicContact SD-CG1 4.33Å; I202-V204 HydrophobicContact CG2-CG2 4.36Å; I202-E212 WeakPolarHBondContact O-CA 3Å; I202-Y213 PolarHBondContact N-O 3.16Å; I202-Y213 PolarHBondContact O-N 3.04Å; I202-V215 HydrophobicContact CD1-CB 4.14Å; I202-V215 HydrophobicContact CD1-CG2 4.09Å; I202-L224 HydrophobicContact CD1-CD2 4.34Å; I202-L254 HydrophobicContact CD1-CD1 3.83Å; I202-L254 HydrophobicContact CD1-CD2 4.45Å; I202-I259 HydrophobicContact CD1-CG2 4.37Å; I202-I265 HydrophobicContact CG2-CD1 3.54Å; I202-I265 HydrophobicContact CG2-CG1 3.95Å
203	K	84.2	Confident	68.5	Low	63 Å²	63	73.4 Å²	73.4	27%	0.274	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	121.7	176.3	-77.9	155.6	161.8	-173.4	0	109.2	M210 Q211 E212 I263 T264 I265	K203-M210 HydrophobicContact CB-CE 3.53Å; K203-M210 HydrophobicContact CD-CE 3.25Å; K203-M210 HydrophobicContact CG-CE 3.44Å; K203-M210 VanDerWaalsContact CG-CE 3.44Å; K203-Q211 CarbonylContact C-O 3.55Å; K203-Q211 WeakPolarHBondContact CA-O 3.24Å; K203-E212 WeakPolarHBondContact CE-OE1 2.99Å; K203-E212 HydrophobicContact CG-CG 3.7Å; K203-E212 IonicContact NZ-OE1 2.91Å; K203-I263 PolarHBondContact N-O 3.44Å; K203-T264 HydrophobicContact CB-CG2 3.86Å; K203-T264 HydrophobicContact CD-CG2 4.4Å; K203-T264 CarbonylContact O-C 3.44Å; K203-T264 WeakPolarHBondContact O-CA 3.34Å; K203-I265 PolarHBondContact O-N 2.89Å
204	V	85.1	Confident	70	Confident	4 Å²	4	73.9 Å²	73.9	2%	0.024	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	120.9	177	-178.3	0	0	0	0	108.9	I202 M210 Q211 Y213 I228 L241 I265 M267	I202-V204 HydrophobicContact CG2-CG2 4.36Å; V204-M210 WeakPolarHBondContact O-CA 3.35Å; V204-Q211 PolarHBondContact N-O 3.34Å; V204-Q211 PolarHBondContact O-N 3.3Å; V204-Y213 HydrophobicContact CB-CD2 3.94Å; V204-Y213 HydrophobicContact CB-CE2 3.8Å; V204-Y213 HydrophobicContact CG2-CD2 3.55Å; V204-Y213 HydrophobicContact CG2-CE2 3.85Å; V204-I228 HydrophobicContact CG1-CD1 4.27Å; V204-I228 HydrophobicContact CG2-CD1 4.13Å; V204-L241 HydrophobicContact CG1-CD2 4.41Å; V204-I265 CarbonylContact C-O 3.55Å; V204-I265 WeakPolarHBondContact CA-O 3.42Å; V204-M267 HydrophobicContact CG1-CB 3.72Å
205	K	83.4	Confident	71.8	Confident	109 Å²	109	63.2 Å²	63.2	47%	0.474	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	114.5	177.4	-171.5	176.3	-179.7	179.7	0	109.8	I265 M267	K205-I265 PolarHBondContact N-O 3.34Å; K205-M267 PolarHBondContact O-N 3.04Å
206	S	79.8	Confident	73.5	Confident	15 Å²	15	60 Å²	60	11%	0.105	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	173.1	172.7	-176.7	0	0	0	0	110.6	D208 G209 M267	S206-D208 PolarHBondContact O-N 2.75Å; S206-G209 PolarHBondContact N-O 3.18Å; S206-G209 PolarHBondContact O-N 3.34Å; S206-M267 WeakPolarHBondContact OG-CE 2.84Å
207	G	73.3	Confident	75	Confident	81 Å²	81	58.8 Å²	58.8	84%	0.835	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-26.8	166.8	0	0	0	0	0	113.1
208	D	69.8	Low	76.2	Confident	127 Å²	127	62.3 Å²	62.3	68%	0.679	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	5.9	-178.5	-62.8	-25.2	0	0	0	114.1	S206	S206-D208 PolarHBondContact O-N 2.75Å
209	G	79.9	Confident	77.3	Confident	34 Å²	34	60 Å²	60	35%	0.351	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	120.8	-169.4	179.4	0	0	0	0	0	114	S206	S206-G209 PolarHBondContact N-O 3.18Å; S206-G209 PolarHBondContact O-N 3.34Å
210	M	83.2	Confident	78.4	Confident	102 Å²	102	60 Å²	60	50%	0.502	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	124.5	-174.6	-176	173.1	166.9	0	0	109.8	K203 V204 T264	K203-M210 HydrophobicContact CB-CE 3.53Å; K203-M210 HydrophobicContact CD-CE 3.25Å; K203-M210 HydrophobicContact CG-CE 3.44Å; K203-M210 VanDerWaalsContact CG-CE 3.44Å; V204-M210 WeakPolarHBondContact O-CA 3.35Å; M210-T264 HydrophobicContact CE-CG2 3.71Å
211	Q	80.6	Confident	78.9	Confident	57 Å²	57	59.7 Å²	59.7	27%	0.266	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	145	-178.6	-64.2	-168	4.4	0	0	111.2	K203 V204 Y213 H232	K203-Q211 CarbonylContact C-O 3.55Å; K203-Q211 WeakPolarHBondContact CA-O 3.24Å; V204-Q211 PolarHBondContact N-O 3.34Å; V204-Q211 PolarHBondContact O-N 3.3Å; Q211-Y213 HydrophobicContact CB-CE2 3.87Å; Q211-Y213 PolarHBondContact OE1-OH 2.95Å; Q211-H232 PolarHBondContact NE2-CE1 2.72Å; Q211-H232 VanDerWaalsContact NE2-CE1 3.28Å; Q211-H232 PolarHBondContact NE2-NE2 2.96Å; Q211-H232 PolarHBondContact OE1-NE2 3.26Å; Q211-H232 VanDerWaalsContact OE1-NE2 3.13Å
212	E	84	Confident	79	Confident	104 Å²	104	54.8 Å²	54.8	49%	0.486	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	129.5	178.5	-69.7	-174.4	178.7	0	0	110.7	I202 K203 R231	I202-E212 WeakPolarHBondContact O-CA 3Å; K203-E212 WeakPolarHBondContact CE-OE1 2.99Å; K203-E212 HydrophobicContact CG-CG 3.7Å; K203-E212 IonicContact NZ-OE1 2.91Å; E212-R231 PolarHBondContact O-NH1 3.44Å
213	Y	82.5	Confident	78.9	Confident	10 Å²	10	58.4 Å²	58.4	4%	0.039	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	139	176.3	-66.4	-90.2	0	0	0	109.1	K201 I202 V204 Q211 L224 L227 I228 R231 H232	K201-Y213 CarbonylContact C-O 3.45Å; K201-Y213 WeakPolarHBondContact CA-O 3.44Å; I202-Y213 PolarHBondContact N-O 3.16Å; I202-Y213 PolarHBondContact O-N 3.04Å; V204-Y213 HydrophobicContact CB-CD2 3.94Å; V204-Y213 HydrophobicContact CB-CE2 3.8Å; V204-Y213 HydrophobicContact CG2-CD2 3.55Å; V204-Y213 HydrophobicContact CG2-CE2 3.85Å; Q211-Y213 HydrophobicContact CB-CE2 3.87Å; Q211-Y213 PolarHBondContact OE1-OH 2.95Å; Y213-L224 HydrophobicContact CG-CD1 4.45Å; Y213-L227 HydrophobicContact CD1-CB 4.24Å; Y213-I228 HydrophobicContact CD1-CG1 4.41Å; Y213-I228 HydrophobicContact CD2-CG1 4.48Å; Y213-I228 HydrophobicContact CE1-CG1 3.95Å; Y213-I228 HydrophobicContact CE2-CG1 4.04Å; Y213-R231 HydrophobicContact CE1-CB 4.15Å; Y213-H232 PolarHBondContact OH-CD2 3.39Å
214	T	79.6	Confident	78.8	Confident	87 Å²	87	55.4 Å²	55.4	53%	0.534	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	119.6	176.7	-57.1	0	0	0	0	107.3	A199	A199-T214 HydrophobicContact CB-CG2 3.61Å
215	V	77.4	Confident	78.7	Confident	6 Å²	6	56.1 Å²	56.1	4%	0.036	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	152.3	-172.3	-173	0	0	0	0	109.3	A199 M200 I202 A219 L224 L227 L254	A199-V215 CarbonylContact C-O 3.34Å; A199-V215 VanDerWaalsContact CA-O 3.26Å; A199-V215 WeakPolarHBondContact CA-O 3.25Å; M200-V215 HydrophobicContact CG-CB 4.35Å; M200-V215 VanDerWaalsContact CG-O 3.32Å; M200-V215 WeakPolarHBondContact CG-O 3.35Å; M200-V215 PolarHBondContact N-O 2.83Å; M200-V215 PolarHBondContact O-N 3.22Å; I202-V215 HydrophobicContact CD1-CB 4.14Å; I202-V215 HydrophobicContact CD1-CG2 4.09Å; V215-A219 HydrophobicContact CG1-CB 3.32Å; V215-L224 HydrophobicContact CG2-CD1 3.74Å; V215-L227 HydrophobicContact CG2-CD1 3.8Å; V215-L254 HydrophobicContact CB-CD1 4.45Å; V215-L254 HydrophobicContact CG1-CD1 3.72Å
216	D	73.9	Confident	78.6	Confident	76 Å²	76	54.5 Å²	54.5	41%	0.406	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	142.9	177.6	-66.3	-25.5	0	0	0	111.9	V197 E218 A219	V197-D216 WeakPolarHBondContact CB-OD1 3.41Å; V197-D216 HydrophobicContact CG1-CB 3.38Å; V197-D216 WeakPolarHBondContact CG1-OD1 3.23Å; D216-E218 PolarHBondContact O-N 3.28Å; D216-E218 VanDerWaalsContact O-N 3.1Å; D216-A219 HydrophobicContact CB-CB 4.28Å; D216-A219 WeakPolarHBondContact O-CB 3.36Å; D216-A219 PolarHBondContact O-N 3.48Å
217	D	69.8	Low	78.6	Confident	68 Å²	68	56.7 Å²	56.7	36%	0.364	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-26.8	-179.8	-86	-0.6	0	0	0	114.6	S198	S198-D217 VanDerWaalsContact CB-CG 3.49Å; S198-D217 WeakPolarHBondContact CB-OD2 3.43Å; S198-D217 PolarHBondContact O-N 3.33Å; S198-D217 PolarHBondContact OG-OD2 2.87Å
218	E	69.7	Low	78.9	Confident	147 Å²	147	52.8 Å²	52.8	69%	0.687	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	2.2	178.8	-68.7	177	-163.4	0	0	112.8	K195 D216	K195-E218 IonicContact NZ-OE1 2.92Å; K195-E218 PolarHBondContact NZ-OE1 2.97Å; K195-E218 IonicContact NZ-OE2 3.79Å; D216-E218 PolarHBondContact O-N 3.28Å; D216-E218 VanDerWaalsContact O-N 3.1Å
219	A	73.7	Confident	79.5	Confident	10 Å²	10	49 Å²	49	8%	0.083	27%	0.265	C	S	.	.			trans	-71	151.2	-175.7	0	0	0	0	0	112.9	V215 D216 D223 L254	V215-A219 HydrophobicContact CG1-CB 3.32Å; D216-A219 HydrophobicContact CB-CB 4.28Å; D216-A219 WeakPolarHBondContact O-CB 3.36Å; D216-A219 PolarHBondContact O-N 3.48Å; A219-D223 HydrophobicContact CB-CB 4.16Å; A219-L254 HydrophobicContact CB-CD1 4.19Å; A219-L254 WeakPolarHBondContact O-CG 3.46Å; A219-L254 PolarHBondContact O-N 2.97Å; A219-L254 VanDerWaalsContact O-N 3.15Å
220	T	83.8	Confident	79.4	Confident	47 Å²	47	55.2 Å²	55.2	29%	0.288	29%	0.285	S	S	.	.	B	Isolated β-bridge	trans	-85.8	162.8	174.8	65	0	0	0	0	111.2	G222 D223 L224	T220-G222 PolarHBondContact O-N 2.71Å; T220-G222 PolarHBondContact OG1-N 3.09Å; T220-D223 PolarHBondContact N-OD2 3.45Å; T220-D223 PolarHBondContact O-N 2.96Å; T220-D223 VanDerWaalsContact O-N 3.16Å; T220-D223 VanDerWaalsContact OG1-CG 3.25Å; T220-D223 PolarHBondContact OG1-N 2.82Å; T220-D223 PolarHBondContact OG1-OD2 2.75Å; T220-L224 PolarHBondContact O-N 3.36Å
221	V	82.2	Confident	78.9	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-59.3	-29.8	169.8	171.5	0	0	0	0	111	L224 K225 L241 L248 K249 E252 L254	V221-L224 PolarHBondContact O-N 3.49Å; V221-K225 WeakPolarHBondContact O-CG 2.99Å; V221-K225 PolarHBondContact O-N 2.88Å; V221-L241 HydrophobicContact CG1-CD1 4.2Å; V221-L248 HydrophobicContact CG1-CB 3.79Å; V221-L248 HydrophobicContact CG2-CB 3.94Å; V221-L248 HydrophobicContact CG2-CD1 4.25Å; V221-L248 HydrophobicContact CG2-CG 4.49Å; V221-K249 VanDerWaalsContact CB-O 3.26Å; V221-K249 WeakPolarHBondContact CB-O 3.43Å; V221-E252 HydrophobicContact CG2-CB 4.25Å; V221-E252 VanDerWaalsContact CG2-O 3.31Å; V221-E252 WeakPolarHBondContact CG2-O 3.25Å; V221-E252 PolarHBondContact N-O 2.98Å; V221-L254 HydrophobicContact CG2-CD2 3.95Å
222	G	80.2	Confident	78.2	Confident	3 Å²	3	56.2 Å²	56.2	3%	0.031	28%	0.282	C	S	.	.	H	α-helix	trans	-57.9	-47.7	172.3	0	0	0	0	0	112.6	T220 L224 K225 D226 D250	T220-G222 PolarHBondContact O-N 2.71Å; T220-G222 PolarHBondContact OG1-N 3.09Å; G222-L224 VanDerWaalsContact C-N 3.34Å; G222-L224 PolarHBondContact O-N 3.29Å; G222-K225 WeakPolarHBondContact O-CB 3.37Å; G222-K225 PolarHBondContact O-N 3.2Å; G222-K225 VanDerWaalsContact O-N 3.12Å; G222-D226 PolarHBondContact O-N 2.81Å; G222-D250 PolarHBondContact N-O 3.11Å; G222-D250 VanDerWaalsContact N-O 3.14Å
223	D	81.9	Confident	77.2	Confident	77 Å²	77	56 Å²	56	41%	0.412	30%	0.297	S	S	.	.	H	α-helix	trans	-64.3	-39.9	179.5	-54.5	-47.9	0	0	0	111.6	A219 T220 D226 L227	A219-D223 HydrophobicContact CB-CB 4.16Å; T220-D223 PolarHBondContact N-OD2 3.45Å; T220-D223 PolarHBondContact O-N 2.96Å; T220-D223 VanDerWaalsContact O-N 3.16Å; T220-D223 VanDerWaalsContact OG1-CG 3.25Å; T220-D223 PolarHBondContact OG1-N 2.82Å; T220-D223 PolarHBondContact OG1-OD2 2.75Å; D223-D226 PolarHBondContact O-N 3.16Å; D223-L227 PolarHBondContact O-N 3.21Å; D223-L227 VanDerWaalsContact O-N 3.12Å
224	L	81.3	Confident	76.7	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-64.1	-39.3	173.5	175.3	64.6	0	0	0	111.7	I202 Y213 V215 T220 V221 G222 L227 I228 L241 L254 I265	I202-L224 HydrophobicContact CD1-CD2 4.34Å; Y213-L224 HydrophobicContact CG-CD1 4.45Å; V215-L224 HydrophobicContact CG2-CD1 3.74Å; T220-L224 PolarHBondContact O-N 3.36Å; V221-L224 PolarHBondContact O-N 3.49Å; G222-L224 VanDerWaalsContact C-N 3.34Å; G222-L224 PolarHBondContact O-N 3.29Å; L224-L227 PolarHBondContact O-N 3.34Å; L224-I228 HydrophobicContact CD1-CD1 4.19Å; L224-I228 HydrophobicContact CD1-CG1 4.44Å; L224-I228 HydrophobicContact CG-CD1 4.02Å; L224-I228 WeakPolarHBondContact O-CD1 3.36Å; L224-I228 VanDerWaalsContact O-CG1 3.22Å; L224-I228 WeakPolarHBondContact O-CG1 3.27Å; L224-I228 PolarHBondContact O-N 2.79Å; L224-I228 VanDerWaalsContact O-N 3.07Å; L224-L241 HydrophobicContact CD2-CD1 3.86Å; L224-L241 HydrophobicContact CG-CD1 4.16Å; L224-L254 HydrophobicContact CD2-CD2 4.04Å; L224-I265 HydrophobicContact CD2-CD1 3.87Å
225	K	82.6	Confident	76.2	Confident	18 Å²	18	57.1 Å²	57.1	8%	0.078	30%	0.302	C	S	.	.	H	α-helix	trans	-64.2	-41.4	175.7	-78.4	-177.6	179.7	-175	0	111.6	V221 G222 L227 I228 V229 I239 L241 D250	V221-K225 WeakPolarHBondContact O-CG 2.99Å; V221-K225 PolarHBondContact O-N 2.88Å; G222-K225 WeakPolarHBondContact O-CB 3.37Å; G222-K225 PolarHBondContact O-N 3.2Å; G222-K225 VanDerWaalsContact O-N 3.12Å; K225-L227 VanDerWaalsContact C-N 3.34Å; K225-L227 PolarHBondContact O-N 3.1Å; K225-I228 WeakPolarHBondContact O-CB 3.22Å; K225-I228 PolarHBondContact O-N 3.33Å; K225-I228 VanDerWaalsContact O-N 3.11Å; K225-V229 VanDerWaalsContact O-CG2 3.26Å; K225-V229 WeakPolarHBondContact O-CG2 3.45Å; K225-V229 PolarHBondContact O-N 3.05Å; K225-I239 PolarHBondContact NZ-O 2.86Å; K225-L241 HydrophobicContact CG-CD1 3.85Å; K225-L241 HydrophobicContact CG-CG 4.44Å; K225-D250 WeakPolarHBondContact CD-OD1 3.23Å; K225-D250 WeakPolarHBondContact CE-OD1 3.35Å; K225-D250 IonicContact NZ-OD1 2.66Å; K225-D250 PolarHBondContact NZ-OD1 2.95Å
226	D	81.7	Confident	75.9	Confident	75 Å²	75	61.2 Å²	61.2	40%	0.401	32%	0.317	S	S	.	.	H	α-helix	trans	-64.6	-39.1	179.5	-67.2	-21.5	0	0	0	111.1	G222 D223 I228 V229 E230 R236	G222-D226 PolarHBondContact O-N 2.81Å; D223-D226 PolarHBondContact O-N 3.16Å; D226-I228 VanDerWaalsContact C-N 3.32Å; D226-I228 PolarHBondContact O-N 2.77Å; D226-V229 PolarHBondContact O-N 3.38Å; D226-E230 PolarHBondContact O-N 3.48Å; D226-E230 VanDerWaalsContact O-N 3.09Å; D226-R236 IonicContact OD1-CZ 3.73Å; D226-R236 IonicContact OD1-NH1 2.7Å; D226-R236 PolarHBondContact OD1-NH1 3.02Å; D226-R236 IonicContact OD2-NH1 3.83Å; D226-R236 PolarHBondContact OD2-NH1 3.1Å
227	L	79	Confident	75.7	Confident	61 Å²	61	64.1 Å²	64.1	32%	0.319	33%	0.333	S	S	.	.	H	α-helix	trans	-63.5	-34.3	171.1	-72.6	171.1	0	0	0	113.4	Y213 V215 D223 L224 K225	Y213-L227 HydrophobicContact CD1-CB 4.24Å; V215-L227 HydrophobicContact CG2-CD1 3.8Å; D223-L227 PolarHBondContact O-N 3.21Å; D223-L227 VanDerWaalsContact O-N 3.12Å; L224-L227 PolarHBondContact O-N 3.34Å; K225-L227 VanDerWaalsContact C-N 3.34Å; K225-L227 PolarHBondContact O-N 3.1Å
228	I	80.4	Confident	76.1	Confident	0 Å²	0	66.3 Å²	66.3	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-71.9	-41.5	176.2	-68	166.2	0	0	0	110.5	V204 Y213 L224 K225 D226 E230 R231 H232 I239 L241 M267	V204-I228 HydrophobicContact CG1-CD1 4.27Å; V204-I228 HydrophobicContact CG2-CD1 4.13Å; Y213-I228 HydrophobicContact CD1-CG1 4.41Å; Y213-I228 HydrophobicContact CD2-CG1 4.48Å; Y213-I228 HydrophobicContact CE1-CG1 3.95Å; Y213-I228 HydrophobicContact CE2-CG1 4.04Å; L224-I228 HydrophobicContact CD1-CD1 4.19Å; L224-I228 HydrophobicContact CD1-CG1 4.44Å; L224-I228 HydrophobicContact CG-CD1 4.02Å; L224-I228 WeakPolarHBondContact O-CD1 3.36Å; L224-I228 VanDerWaalsContact O-CG1 3.22Å; L224-I228 WeakPolarHBondContact O-CG1 3.27Å; L224-I228 PolarHBondContact O-N 2.79Å; L224-I228 VanDerWaalsContact O-N 3.07Å; K225-I228 WeakPolarHBondContact O-CB 3.22Å; K225-I228 PolarHBondContact O-N 3.33Å; K225-I228 VanDerWaalsContact O-N 3.11Å; D226-I228 VanDerWaalsContact C-N 3.32Å; D226-I228 PolarHBondContact O-N 2.77Å; I228-E230 VanDerWaalsContact C-N 3.29Å; I228-E230 PolarHBondContact O-N 3.08Å; I228-R231 PolarHBondContact O-N 2.78Å; I228-R231 VanDerWaalsContact O-N 3.11Å; I228-H232 PolarHBondContact O-N 3.42Å; I228-I239 HydrophobicContact CG2-CD1 4.07Å; I228-I239 HydrophobicContact CG2-CG2 4.44Å; I228-L241 HydrophobicContact CD1-CD1 4.06Å; I228-L241 HydrophobicContact CD1-CD2 3.76Å; I228-L241 HydrophobicContact CD1-CG 4.47Å; I228-M267 HydrophobicContact CG2-SD 3.53Å; I228-M267 VanDerWaalsContact CG2-SD 3.53Å
229	V	82.3	Confident	76.7	Confident	46 Å²	46	59.6 Å²	59.6	28%	0.279	31%	0.305	S	S	.	.	H	α-helix	trans	-61	-38.8	177.7	171.9	0	0	0	0	111.1	K225 D226 R231 H232 R236 I239	K225-V229 VanDerWaalsContact O-CG2 3.26Å; K225-V229 WeakPolarHBondContact O-CG2 3.45Å; K225-V229 PolarHBondContact O-N 3.05Å; D226-V229 PolarHBondContact O-N 3.38Å; V229-R231 PolarHBondContact O-N 3.15Å; V229-H232 CarbonylContact O-C 3.55Å; V229-R236 HydrophobicContact CG2-CB 4.25Å; V229-I239 HydrophobicContact CG2-CD1 3.59Å
230	E	78.1	Confident	77.1	Confident	165 Å²	165	59.5 Å²	59.5	77%	0.771	30%	0.303	S	S	*	.	H	α-helix	trans	-60.7	-33.5	176.4	-168.9	178.2	-177	0	0	112.2	D226 I228	D226-E230 PolarHBondContact O-N 3.48Å; D226-E230 VanDerWaalsContact O-N 3.09Å; I228-E230 VanDerWaalsContact C-N 3.29Å; I228-E230 PolarHBondContact O-N 3.08Å
231	R	72.4	Confident	77.1	Confident	157 Å²	157	57.2 Å²	57.2	59%	0.592	29%	0.289	S	S	*	.	H	α-helix	trans	-98.6	-37.2	-174.1	-160.4	167.6	-144.4	167.3	8	114.6	E212 Y213 I228 V229	E212-R231 PolarHBondContact O-NH1 3.44Å; Y213-R231 HydrophobicContact CE1-CB 4.15Å; I228-R231 PolarHBondContact O-N 2.78Å; I228-R231 VanDerWaalsContact O-N 3.11Å; V229-R231 PolarHBondContact O-N 3.15Å
232	H	65.8	Low	77.2	Confident	23 Å²	23	59.7 Å²	59.7	11%	0.106	30%	0.302	C	S	.	.	S	Bend	trans	-115.1	98.7	175.2	-78.4	-76.1	0	0	0	106.5	Q211 Y213 I228 V229 H234	Q211-H232 PolarHBondContact NE2-CE1 2.72Å; Q211-H232 VanDerWaalsContact NE2-CE1 3.28Å; Q211-H232 PolarHBondContact NE2-NE2 2.96Å; Q211-H232 PolarHBondContact OE1-NE2 3.26Å; Q211-H232 VanDerWaalsContact OE1-NE2 3.13Å; Y213-H232 PolarHBondContact OH-CD2 3.39Å; I228-H232 PolarHBondContact O-N 3.42Å; V229-H232 CarbonylContact O-C 3.55Å; H232-H234 PolarHBondContact O-N 2.83Å
233	A	63.9	Low	77.3	Confident	99 Å²	99	61.4 Å²	61.4	82%	0.818	31%	0.309	S	S	*	.			trans	-60.6	57.5	-174.7	0	0	0	0	0	114.7
234	H	70.7	Confident	77	Confident	58 Å²	58	63 Å²	63	27%	0.269	33%	0.326	S	S	.	.			trans	-115.4	138.3	176.8	-63.9	-41.8	0	0	0	108.3	H232 I239 I269	H232-H234 PolarHBondContact O-N 2.83Å; H234-I239 HydrophobicContact CB-CD1 4.19Å; H234-I239 HydrophobicContact CB-CG1 4.2Å; H234-I269 VanDerWaalsContact CD2-CD1 3.5Å; H234-I269 WeakPolarHBondContact CD2-CD1 3.31Å; H234-I269 WeakPolarHBondContact NE2-CD1 3.36Å
235	P	70.2	Confident	76.7	Confident	63 Å²	63	66.6 Å²	66.6	41%	0.409	36%	0.363	S	S	.	.			trans	-63.8	141.5	179.2	24	-31.6	0	0	0	111.1	D237 R238	P235-D237 PolarHBondContact O-N 2.99Å; P235-R238 HydrophobicContact CG-CB 4.41Å; P235-R238 HydrophobicContact CG-CG 3.94Å; P235-R238 PolarHBondContact O-N 3.37Å
236	R	69.9	Low	76.5	Confident	92 Å²	92	68.6 Å²	68.6	35%	0.347	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-45.7	-38	-178.4	-176.9	174.1	173.7	155.8	-10.2	113.1	D226 V229 R238 I239 D250	D226-R236 IonicContact OD1-CZ 3.73Å; D226-R236 IonicContact OD1-NH1 2.7Å; D226-R236 PolarHBondContact OD1-NH1 3.02Å; D226-R236 IonicContact OD2-NH1 3.83Å; D226-R236 PolarHBondContact OD2-NH1 3.1Å; V229-R236 HydrophobicContact CG2-CB 4.25Å; R236-R238 VanDerWaalsContact C-N 3.26Å; R236-R238 PolarHBondContact O-N 3.14Å; R236-I239 PolarHBondContact O-N 3.49Å; R236-D250 IonicContact CZ-OD2 3.33Å; R236-D250 IonicContact NE-OD2 3.01Å; R236-D250 PolarHBondContact NE-OD2 2.82Å; R236-D250 IonicContact NH2-OD2 2.77Å; R236-D250 PolarHBondContact NH2-OD2 2.85Å
237	D	70.5	Confident	76.7	Confident	137 Å²	137	69.4 Å²	69.4	73%	0.733	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-66.8	-23.1	-177.9	-57.6	-28.3	0	0	0	114.5	P235	P235-D237 PolarHBondContact O-N 2.99Å
238	R	78.4	Confident	76.9	Confident	115 Å²	115	66.7 Å²	66.7	43%	0.434	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-90	-16.2	179.2	-65.7	-174.5	-175	-176.9	-0.1	112.4	P235 R236 C240 I269 R270 V272	P235-R238 HydrophobicContact CG-CB 4.41Å; P235-R238 HydrophobicContact CG-CG 3.94Å; P235-R238 PolarHBondContact O-N 3.37Å; R236-R238 VanDerWaalsContact C-N 3.26Å; R236-R238 PolarHBondContact O-N 3.14Å; R238-C240 PolarHBondContact O-N 2.97Å; R238-I269 HydrophobicContact CB-CG2 4.07Å; R238-I269 CarbonylContact O-C 3.52Å; R238-I269 VanDerWaalsContact O-CA 3.32Å; R238-I269 WeakPolarHBondContact O-CA 3.03Å; R238-R270 WeakPolarHBondContact CG-O 3Å; R238-R270 PolarHBondContact O-N 3.21Å; R238-V272 HydrophobicContact CG-CG2 4.18Å
239	I	81.3	Confident	77	Confident	5 Å²	5	73.4 Å²	73.4	3%	0.026	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	112.3	-173.5	-61.8	169.2	0	0	0	109.7	K225 I228 V229 H234 R236 L241 M267	K225-I239 PolarHBondContact NZ-O 2.86Å; I228-I239 HydrophobicContact CG2-CD1 4.07Å; I228-I239 HydrophobicContact CG2-CG2 4.44Å; V229-I239 HydrophobicContact CG2-CD1 3.59Å; H234-I239 HydrophobicContact CB-CD1 4.19Å; H234-I239 HydrophobicContact CB-CG1 4.2Å; R236-I239 PolarHBondContact O-N 3.49Å; I239-L241 HydrophobicContact CG2-CD2 4.34Å; I239-L241 HydrophobicContact CG2-CG 4.44Å; I239-M267 HydrophobicContact CG2-CG 3.93Å; I239-M267 HydrophobicContact CG2-SD 3.99Å
240	C	82.5	Confident	76.9	Confident	8 Å²	8	73.6 Å²	73.6	5%	0.054	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	118.6	173.6	-175.8	0	0	0	0	109.7	R238 I247 V268 R270	R238-C240 PolarHBondContact O-N 2.97Å; C240-I247 VanDerWaalsContact SG-CG2 3.53Å; C240-V268 WeakPolarHBondContact CB-O 3.16Å; C240-V268 PolarHBondContact N-O 3.48Å; C240-V268 PolarHBondContact O-N 2.85Å; C240-R270 HydrophobicContact CB-CG 4.24Å; C240-R270 PolarHBondContact SG-NH2 3.39Å
241	L	83.1	Confident	76.8	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	131.2	174.6	-62.7	177.4	0	0	0	110	V204 V221 L224 K225 I228 I239 L248 I265 M267	V204-L241 HydrophobicContact CG1-CD2 4.41Å; V221-L241 HydrophobicContact CG1-CD1 4.2Å; L224-L241 HydrophobicContact CD2-CD1 3.86Å; L224-L241 HydrophobicContact CG-CD1 4.16Å; K225-L241 HydrophobicContact CG-CD1 3.85Å; K225-L241 HydrophobicContact CG-CG 4.44Å; I228-L241 HydrophobicContact CD1-CD1 4.06Å; I228-L241 HydrophobicContact CD1-CD2 3.76Å; I228-L241 HydrophobicContact CD1-CG 4.47Å; I239-L241 HydrophobicContact CG2-CD2 4.34Å; I239-L241 HydrophobicContact CG2-CG 4.44Å; L241-L248 HydrophobicContact CB-CB 4.26Å; L241-L248 HydrophobicContact CB-CD1 4.13Å; L241-L248 PolarHBondContact O-N 2.82Å; L241-I265 HydrophobicContact CB-CG2 4Å; L241-I265 HydrophobicContact CD2-CG2 4.11Å; L241-M267 HydrophobicContact CD2-CB 4.06Å; L241-M267 HydrophobicContact CD2-CG 4.12Å
242	I	85.2	Confident	77	Confident	52 Å²	52	69.1 Å²	69.1	27%	0.267	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	123.6	-176.3	-54.3	175.4	0	0	0	108.7	S246 I247 H266 V268	I242-S246 WeakPolarHBondContact CA-O 3.45Å; I242-I247 HydrophobicContact CG1-CG1 4.35Å; I242-H266 HydrophobicContact CB-CB 4.36Å; I242-H266 PolarHBondContact N-O 2.88Å; I242-H266 PolarHBondContact O-N 3.3Å; I242-V268 HydrophobicContact CD1-CG2 3.79Å
243	F	82.7	Confident	77.7	Confident	39 Å²	39	69.9 Å²	69.9	17%	0.171	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	133.2	175.4	-179.8	-113.4	0	0	0	110	G245 S246 L248 I259 I263 I265	F243-G245 PolarHBondContact O-N 2.99Å; F243-G245 VanDerWaalsContact O-N 3.12Å; F243-S246 PolarHBondContact N-O 2.88Å; F243-S246 PolarHBondContact O-N 3.33Å; F243-L248 HydrophobicContact CB-CD1 4.01Å; F243-L248 HydrophobicContact CB-CD2 4.37Å; F243-L248 HydrophobicContact CB-CG 4.28Å; F243-I259 HydrophobicContact CD1-CD1 4.25Å; F243-I259 HydrophobicContact CD1-CG1 3.68Å; F243-I259 HydrophobicContact CE1-CG1 3.77Å; F243-I259 HydrophobicContact CG-CG1 4.26Å; F243-I259 HydrophobicContact CZ-CG1 4.45Å; F243-I263 HydrophobicContact CD2-CG2 3.83Å; F243-I263 HydrophobicContact CE2-CD1 4.34Å; F243-I263 HydrophobicContact CE2-CG2 3.16Å; F243-I263 HydrophobicContact CZ-CD1 3.93Å; F243-I263 HydrophobicContact CZ-CG2 3.75Å; F243-I265 HydrophobicContact CD2-CG1 4.48Å
244	S	76.1	Confident	78.1	Confident	109 Å²	109	65.2 Å²	65.2	76%	0.762	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	39.5	-179.7	-167.5	0	0	0	0	115.1	S246	S244-S246 PolarHBondContact O-N 3.35Å
245	G	74.2	Confident	78	Confident	76 Å²	76	66.2 Å²	66.2	78%	0.784	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	0.5	179.8	0	0	0	0	0	115.4	F243	F243-G245 PolarHBondContact O-N 2.99Å; F243-G245 VanDerWaalsContact O-N 3.12Å
246	S	79.3	Confident	78.1	Confident	60 Å²	60	66.4 Å²	66.4	42%	0.42	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	141.2	175.5	-63.8	0	0	0	0	111.2	I242 F243 S244	I242-S246 WeakPolarHBondContact CA-O 3.45Å; F243-S246 PolarHBondContact N-O 2.88Å; F243-S246 PolarHBondContact O-N 3.33Å; S244-S246 PolarHBondContact O-N 3.35Å
247	I	84.8	Confident	78.1	Confident	93 Å²	93	66.2 Å²	66.2	48%	0.477	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	120.8	171.1	-65.3	156.3	0	0	0	107.8	C240 I242	C240-I247 VanDerWaalsContact SG-CG2 3.53Å; I242-I247 HydrophobicContact CG1-CG1 4.35Å
248	L	82.2	Confident	78.2	Confident	4 Å²	4	61.7 Å²	61.7	2%	0.021	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-74.9	130	-178.9	-61.8	175.9	0	0	0	110.6	V221 L241 F243 K257 I259 I265	V221-L248 HydrophobicContact CG1-CB 3.79Å; V221-L248 HydrophobicContact CG2-CB 3.94Å; V221-L248 HydrophobicContact CG2-CD1 4.25Å; V221-L248 HydrophobicContact CG2-CG 4.49Å; L241-L248 HydrophobicContact CB-CB 4.26Å; L241-L248 HydrophobicContact CB-CD1 4.13Å; L241-L248 PolarHBondContact O-N 2.82Å; F243-L248 HydrophobicContact CB-CD1 4.01Å; F243-L248 HydrophobicContact CB-CD2 4.37Å; F243-L248 HydrophobicContact CB-CG 4.28Å; L248-K257 HydrophobicContact CD2-CB 4.4Å; L248-K257 HydrophobicContact CD2-CG 3.99Å; L248-I259 HydrophobicContact CD1-CD1 3.94Å; L248-I259 HydrophobicContact CD2-CD1 4.5Å; L248-I265 HydrophobicContact CD1-CD1 4.35Å; L248-I265 HydrophobicContact CD1-CG2 4.37Å
249	K	82.6	Confident	78	Confident	141 Å²	141	56.6 Å²	56.6	61%	0.613	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-96.2	151.4	176.8	-63	179.6	-179.6	179.1	0	110.4	V221 E251 E252	V221-K249 VanDerWaalsContact CB-O 3.26Å; V221-K249 WeakPolarHBondContact CB-O 3.43Å; K249-E251 PolarHBondContact O-N 3.37Å; K249-E251 VanDerWaalsContact O-N 3.14Å; K249-E252 HydrophobicContact CB-CG 4.2Å; K249-E252 PolarHBondContact N-OE2 3.02Å; K249-E252 PolarHBondContact O-N 3.25Å; K249-E252 VanDerWaalsContact O-N 3.1Å
250	D	80.4	Confident	77.6	Confident	49 Å²	49	60.4 Å²	60.4	26%	0.262	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-30.5	-173.9	-66.6	18.3	0	0	0	113.5	G222 K225 R236 E252	G222-D250 PolarHBondContact N-O 3.11Å; G222-D250 VanDerWaalsContact N-O 3.14Å; K225-D250 WeakPolarHBondContact CD-OD1 3.23Å; K225-D250 WeakPolarHBondContact CE-OD1 3.35Å; K225-D250 IonicContact NZ-OD1 2.66Å; K225-D250 PolarHBondContact NZ-OD1 2.95Å; R236-D250 IonicContact CZ-OD2 3.33Å; R236-D250 IonicContact NE-OD2 3.01Å; R236-D250 PolarHBondContact NE-OD2 2.82Å; R236-D250 IonicContact NH2-OD2 2.77Å; R236-D250 PolarHBondContact NH2-OD2 2.85Å; D250-E252 VanDerWaalsContact C-N 3.32Å; D250-E252 PolarHBondContact O-N 3.45Å
251	E	76	Confident	77.3	Confident	184 Å²	184	66.4 Å²	66.4	86%	0.86	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-8.7	-177.2	-60.5	171.8	-162.9	0	0	113.8	K249	K249-E251 PolarHBondContact O-N 3.37Å; K249-E251 VanDerWaalsContact O-N 3.14Å
252	E	78.3	Confident	76.8	Confident	45 Å²	45	68.3 Å²	68.3	21%	0.21	42%	0.421	C	S	.	.	S	Bend	trans	-84.3	132	-175.7	-64.8	178.7	150.2	0	0	110.8	V221 K249 D250 K257	V221-E252 HydrophobicContact CG2-CB 4.25Å; V221-E252 VanDerWaalsContact CG2-O 3.31Å; V221-E252 WeakPolarHBondContact CG2-O 3.25Å; V221-E252 PolarHBondContact N-O 2.98Å; K249-E252 HydrophobicContact CB-CG 4.2Å; K249-E252 PolarHBondContact N-OE2 3.02Å; K249-E252 PolarHBondContact O-N 3.25Å; K249-E252 VanDerWaalsContact O-N 3.1Å; D250-E252 VanDerWaalsContact C-N 3.32Å; D250-E252 PolarHBondContact O-N 3.45Å; E252-K257 WeakPolarHBondContact OE1-CE 3.49Å; E252-K257 IonicContact OE1-NZ 3.77Å; E252-K257 PolarHBondContact OE1-NZ 2.79Å; E252-K257 WeakPolarHBondContact OE2-CE 3.28Å; E252-K257 IonicContact OE2-NZ 2.78Å
253	A	79.3	Confident	76.8	Confident	39 Å²	39	67.8 Å²	67.8	32%	0.322	42%	0.418	S	S	.	.	B	Isolated β-bridge	trans	-72	137.6	169.8	0	0	0	0	0	110.4	S255 G256	A253-S255 VanDerWaalsContact C-N 3.26Å; A253-S255 PolarHBondContact O-N 3.24Å; A253-G256 PolarHBondContact O-N 3.4Å
254	L	73.3	Confident	76.7	Confident	0 Å²	0	69 Å²	69	0%	0	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-59.7	-37.9	-178.5	-67.3	167.2	0	0	0	112	M200 I202 V215 A219 V221 L224 G256 K257 I259	M200-L254 HydrophobicContact SD-CB 4.35Å; M200-L254 HydrophobicContact SD-CD1 4.29Å; I202-L254 HydrophobicContact CD1-CD1 3.83Å; I202-L254 HydrophobicContact CD1-CD2 4.45Å; V215-L254 HydrophobicContact CB-CD1 4.45Å; V215-L254 HydrophobicContact CG1-CD1 3.72Å; A219-L254 HydrophobicContact CB-CD1 4.19Å; A219-L254 WeakPolarHBondContact O-CG 3.46Å; A219-L254 PolarHBondContact O-N 2.97Å; A219-L254 VanDerWaalsContact O-N 3.15Å; V221-L254 HydrophobicContact CG2-CD2 3.95Å; L224-L254 HydrophobicContact CD2-CD2 4.04Å; L254-G256 VanDerWaalsContact C-N 3.32Å; L254-G256 PolarHBondContact O-N 3.45Å; L254-K257 PolarHBondContact O-N 2.67Å; L254-I259 HydrophobicContact CB-CB 4.49Å; L254-I259 HydrophobicContact CB-CD1 4.43Å; L254-I259 HydrophobicContact CD2-CD1 3.6Å; L254-I259 WeakPolarHBondContact O-CB 3.37Å; L254-I259 PolarHBondContact O-N 3.46Å
255	S	68.7	Low	77.2	Confident	79 Å²	79	63.8 Å²	63.8	55%	0.552	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-62.9	-33.8	175.6	55.2	0	0	0	0	113.4	A253 K257 G258	A253-S255 VanDerWaalsContact C-N 3.26Å; A253-S255 PolarHBondContact O-N 3.24Å; S255-K257 VanDerWaalsContact C-N 3.29Å; S255-K257 PolarHBondContact O-N 3.04Å; S255-G258 PolarHBondContact O-N 2.99Å
256	G	72.4	Confident	77.6	Confident	67 Å²	67	64.5 Å²	64.5	69%	0.691	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-70	-18.9	-177.8	0	0	0	0	0	115	A253 L254	A253-G256 PolarHBondContact O-N 3.4Å; L254-G256 VanDerWaalsContact C-N 3.32Å; L254-G256 PolarHBondContact O-N 3.45Å
257	K	68.7	Low	77.7	Confident	88 Å²	88	62.1 Å²	62.1	38%	0.383	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-102	6.9	177.3	-68.2	-69.4	-173.8	177.4	0	113.7	L248 E252 L254 S255 I259	L248-K257 HydrophobicContact CD2-CB 4.4Å; L248-K257 HydrophobicContact CD2-CG 3.99Å; E252-K257 WeakPolarHBondContact OE1-CE 3.49Å; E252-K257 IonicContact OE1-NZ 3.77Å; E252-K257 PolarHBondContact OE1-NZ 2.79Å; E252-K257 WeakPolarHBondContact OE2-CE 3.28Å; E252-K257 IonicContact OE2-NZ 2.78Å; L254-K257 PolarHBondContact O-N 2.67Å; S255-K257 VanDerWaalsContact C-N 3.29Å; S255-K257 PolarHBondContact O-N 3.04Å; K257-I259 HydrophobicContact CB-CD1 4.44Å; K257-I259 HydrophobicContact CB-CG1 4.32Å
258	G	73.4	Confident	77.7	Confident	43 Å²	43	61.1 Å²	61.1	44%	0.443	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.7	27.1	-177.3	0	0	0	0	0	113.6	S255 T260	S255-G258 PolarHBondContact O-N 2.99Å; G258-T260 PolarHBondContact O-N 3.49Å
259	I	74.4	Confident	77.5	Confident	7 Å²	7	64.3 Å²	64.3	4%	0.036	37%	0.372	C	S	.	.			trans	-78.7	115.5	172.7	-55.3	170.8	0	0	0	107.1	M200 I202 F243 L248 L254 K257 I265	M200-I259 HydrophobicContact CE-CB 4.28Å; M200-I259 HydrophobicContact CE-CG2 3.69Å; M200-I259 VanDerWaalsContact CE-O 3.25Å; M200-I259 WeakPolarHBondContact CE-O 3.34Å; I202-I259 HydrophobicContact CD1-CG2 4.37Å; F243-I259 HydrophobicContact CD1-CD1 4.25Å; F243-I259 HydrophobicContact CD1-CG1 3.68Å; F243-I259 HydrophobicContact CE1-CG1 3.77Å; F243-I259 HydrophobicContact CG-CG1 4.26Å; F243-I259 HydrophobicContact CZ-CG1 4.45Å; L248-I259 HydrophobicContact CD1-CD1 3.94Å; L248-I259 HydrophobicContact CD2-CD1 4.5Å; L254-I259 HydrophobicContact CB-CB 4.49Å; L254-I259 HydrophobicContact CB-CD1 4.43Å; L254-I259 HydrophobicContact CD2-CD1 3.6Å; L254-I259 WeakPolarHBondContact O-CB 3.37Å; L254-I259 PolarHBondContact O-N 3.46Å; K257-I259 HydrophobicContact CB-CD1 4.44Å; K257-I259 HydrophobicContact CB-CG1 4.32Å; I259-I265 HydrophobicContact CD1-CD1 4.02Å; I259-I265 HydrophobicContact CG2-CD1 4.27Å
260	T	71.3	Confident	76.9	Confident	85 Å²	85	63.5 Å²	63.5	52%	0.521	37%	0.365	S	S	.	.			trans	-115.4	172.3	178.6	58.8	0	0	0	0	110.7	G258 G262 I263	G258-T260 PolarHBondContact O-N 3.49Å; T260-G262 PolarHBondContact O-N 3.39Å; T260-I263 WeakPolarHBondContact O-CB 3.36Å; T260-I263 WeakPolarHBondContact O-CG1 3.36Å; T260-I263 PolarHBondContact O-N 3.49Å; T260-I263 VanDerWaalsContact OG1-CD1 3.28Å; T260-I263 WeakPolarHBondContact OG1-CD1 3.2Å
261	E	76.6	Confident	75.6	Confident	135 Å²	135	69 Å²	69	63%	0.631	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	130.4	-180	-168.6	-179.8	-179.6	0	0	112	K201	K201-E261 HydrophobicContact CB-CG 4.43Å
262	G	73.8	Confident	74.4	Confident	40 Å²	40	64.4 Å²	64.4	41%	0.412	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.9	-1.1	176.2	0	0	0	0	0	115.6	K201 T260	K201-G262 PolarHBondContact O-N 3.47Å; T260-G262 PolarHBondContact O-N 3.39Å
263	I	83.7	Confident	72.6	Confident	40 Å²	40	70.1 Å²	70.1	21%	0.205	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-70.9	144	177.7	-70.2	-166.8	0	0	0	112	K203 F243 T260	K203-I263 PolarHBondContact N-O 3.44Å; F243-I263 HydrophobicContact CD2-CG2 3.83Å; F243-I263 HydrophobicContact CE2-CD1 4.34Å; F243-I263 HydrophobicContact CE2-CG2 3.16Å; F243-I263 HydrophobicContact CZ-CD1 3.93Å; F243-I263 HydrophobicContact CZ-CG2 3.75Å; T260-I263 WeakPolarHBondContact O-CB 3.36Å; T260-I263 WeakPolarHBondContact O-CG1 3.36Å; T260-I263 PolarHBondContact O-N 3.49Å; T260-I263 VanDerWaalsContact OG1-CD1 3.28Å; T260-I263 WeakPolarHBondContact OG1-CD1 3.2Å
264	T	82.1	Confident	70.5	Confident	65 Å²	65	74.1 Å²	74.1	40%	0.399	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	122	174.9	59.2	0	0	0	0	112.7	K203 M210	K203-T264 HydrophobicContact CB-CG2 3.86Å; K203-T264 HydrophobicContact CD-CG2 4.4Å; K203-T264 CarbonylContact O-C 3.44Å; K203-T264 WeakPolarHBondContact O-CA 3.34Å; M210-T264 HydrophobicContact CE-CG2 3.71Å
265	I	85	Confident	68.5	Low	0 Å²	0	83.4 Å²	83.4	0%	0	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	138.9	172.6	-58.1	179.7	0	0	0	109	I202 K203 V204 K205 L224 L241 F243 L248 I259	I202-I265 HydrophobicContact CG2-CD1 3.54Å; I202-I265 HydrophobicContact CG2-CG1 3.95Å; K203-I265 PolarHBondContact O-N 2.89Å; V204-I265 CarbonylContact C-O 3.55Å; V204-I265 WeakPolarHBondContact CA-O 3.42Å; K205-I265 PolarHBondContact N-O 3.34Å; L224-I265 HydrophobicContact CD2-CD1 3.87Å; L241-I265 HydrophobicContact CB-CG2 4Å; L241-I265 HydrophobicContact CD2-CG2 4.11Å; F243-I265 HydrophobicContact CD2-CG1 4.48Å; L248-I265 HydrophobicContact CD1-CD1 4.35Å; L248-I265 HydrophobicContact CD1-CG2 4.37Å; I259-I265 HydrophobicContact CD1-CD1 4.02Å; I259-I265 HydrophobicContact CG2-CD1 4.27Å
266	H	84.2	Confident	67	Low	91 Å²	91	85.3 Å²	85.3	42%	0.421	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	129.1	176.6	-72.4	-86.7	0	0	0	111.1	I242	I242-H266 HydrophobicContact CB-CB 4.36Å; I242-H266 PolarHBondContact N-O 2.88Å; I242-H266 PolarHBondContact O-N 3.3Å
267	M	81.1	Confident	64.9	Low	10 Å²	10	91.6 Å²	91.6	5%	0.049	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	128.8	175.3	-173.6	-177.6	83.6	0	0	110.7	V204 K205 S206 I228 I239 L241	V204-M267 HydrophobicContact CG1-CB 3.72Å; K205-M267 PolarHBondContact O-N 3.04Å; S206-M267 WeakPolarHBondContact OG-CE 2.84Å; I228-M267 HydrophobicContact CG2-SD 3.53Å; I228-M267 VanDerWaalsContact CG2-SD 3.53Å; I239-M267 HydrophobicContact CG2-CG 3.93Å; I239-M267 HydrophobicContact CG2-SD 3.99Å; L241-M267 HydrophobicContact CD2-CB 4.06Å; L241-M267 HydrophobicContact CD2-CG 4.12Å
268	V	83.4	Confident	63.3	Low	71 Å²	71	91.7 Å²	91.7	43%	0.43	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	132.5	176	-177.4	0	0	0	0	109.6	C240 I242	C240-V268 WeakPolarHBondContact CB-O 3.16Å; C240-V268 PolarHBondContact N-O 3.48Å; C240-V268 PolarHBondContact O-N 2.85Å; I242-V268 HydrophobicContact CD1-CG2 3.79Å
269	I	78.3	Confident	61.6	Low	72 Å²	72	95.9 Å²	95.9	37%	0.369	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	114	177.2	-56.5	170.9	0	0	0	108.6	H234 R238	H234-I269 VanDerWaalsContact CD2-CD1 3.5Å; H234-I269 WeakPolarHBondContact CD2-CD1 3.31Å; H234-I269 WeakPolarHBondContact NE2-CD1 3.36Å; R238-I269 HydrophobicContact CB-CG2 4.07Å; R238-I269 CarbonylContact O-C 3.52Å; R238-I269 VanDerWaalsContact O-CA 3.32Å; R238-I269 WeakPolarHBondContact O-CA 3.03Å
270	R	70.6	Confident	59.4	Low	124 Å²	124	100.3 Å²	100.3	47%	0.468	56%	0.557	S	S	.	*			trans	-80	137.2	175.7	-68.1	-178.5	-178.3	174.4	0.5	110.8	R238 C240 V272	R238-R270 WeakPolarHBondContact CG-O 3Å; R238-R270 PolarHBondContact O-N 3.21Å; C240-R270 HydrophobicContact CB-CG 4.24Å; C240-R270 PolarHBondContact SG-NH2 3.39Å; R270-V272 PolarHBondContact O-N 3.4Å
271	Q	53	Low	57.7	Low	165 Å²	165	105.2 Å²	105.2	77%	0.771	57%	0.574	S	S	*	*			trans	-81	114.3	165.8	-66.3	-163.5	-18.9	0	0	108.9
272	V	51	Low	55.5	Low	87 Å²	87	106 Å²	106	53%	0.527	58%	0.582	S	S	.	*			trans	-87.2	111.9	172.7	-178.3	0	0	0	0	107.6	R238 R270	R238-V272 HydrophobicContact CG-CG2 4.18Å; R270-V272 PolarHBondContact O-N 3.4Å
273	F	40.4	Very low	53.5	Low	165 Å²	165	109 Å²	109	72%	0.724	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-78.5	128.6	165	-66.1	-83.7	0	0	0	108.2	K275	F273-K275 PolarHBondContact O-N 3.27Å; F273-K275 VanDerWaalsContact O-N 3.15Å
274	P	36	Very low	51.1	Low	123 Å²	123	112.7 Å²	112.7	80%	0.799	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-65.7	117.4	178.8	26.8	-31.7	0	0	0	109.1
275	K	30.5	Very low	48.7	Very low	195 Å²	195	118.2 Å²	118.2	85%	0.848	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-79.9	128.8	171.3	-166.9	174.3	-176.5	-179.6	0	107.7	F273 E277	F273-K275 PolarHBondContact O-N 3.27Å; F273-K275 VanDerWaalsContact O-N 3.15Å; K275-E277 PolarHBondContact O-N 2.89Å
276	P	37	Very low	46.6	Very low	119 Å²	119	123.1 Å²	123.1	77%	0.773	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-64	128	-179.2	-16.2	28.8	0	0	0	110.7
277	E	29.1	Very low	43.9	Very low	199 Å²	199	123.4 Å²	123.4	93%	0.93	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-55.2	130.6	169.4	-90.5	169.1	139	0	0	111	K275	K275-E277 PolarHBondContact O-N 2.89Å
278	A	35	Very low	41.7	Very low	90 Å²	90	127.8 Å²	127.8	74%	0.744	74%	0.736	S	S	*	*			trans	-105.1	144.1	161.6	0	0	0	0	0	108.6
279	P	36.9	Very low	39.2	Very low	131 Å²	131	131 Å²	131	85%	0.851	76%	0.756	S	S	*	*			trans	-77.2	152.4	-163.7	-7.3	25.5	0	0	0	112.7
280	A	28.4	Very low	36.8	Very low	99 Å²	99	134.6 Å²	134.6	82%	0.818	78%	0.776	S	S	*	*			trans	-59.1	134.6	178.8	0	0	0	0	0	114
281	E	36.3	Very low	35	Very low	188 Å²	188	137.4 Å²	137.4	88%	0.879	79%	0.794	S	S	*	*			trans	-136.5	101	154	-78.3	-171	161.5	0	0	109.7
282	N	29.6	Very low	34	Very low	151 Å²	151	132.9 Å²	132.9	81%	0.807	79%	0.792	S	S	*	*				41.9	116.4	124.5	-78	-7.9	0	0	0	120.1
283	S	31.7	Very low	32.9	Very low	105 Å²	105	137.6 Å²	137.6	73%	0.734	81%	0.808	S	S	*	*				126.4	120.4	117.1	-66.6	0	0	0	0	116.7
284	S	34.3	Very low	32.2	Very low	116 Å²	116	135.2 Å²	135.2	81%	0.811	81%	0.807	S	S	*	*			trans	73.4	98.5	139.6	53.8	0	0	0	0	120.9
285	E	31.6	Very low	31.9	Very low	181 Å²	181	139.3 Å²	139.3	85%	0.846	81%	0.807	S	S	*	*			trans	-43.9	179.4	131.5	-115.8	-171.4	142.5	0	0	114.2
286	P	39.5	Very low	31.9	Very low	103 Å²	103	137.7 Å²	137.7	67%	0.669	80%	0.802	S	S	*	*			cis	-142.3	-177.1	-7.7	30.6	-6.8	0	0	0	115.9
287	A	28.6	Very low	31.5	Very low	98 Å²	98	139.1 Å²	139.1	81%	0.81	80%	0.803	S	S	*	*			trans	67.8	120.8	142.5	0	0	0	0	0	121.4
288	A	35.2	Very low	31.7	Very low	102 Å²	102	139 Å²	139	84%	0.843	80%	0.803	S	S	*	*				-171.4	129.9	115.5	0	0	0	0	0	111.7
289	T	29.9	Very low	31.5	Very low	138 Å²	138	141.4 Å²	141.4	85%	0.847	80%	0.803	S	S	*	*			trans	-67.1	155	171	-28.4	0	0	0	0	112.1
290	D	28.7	Very low	31.5	Very low	148 Å²	148	140.9 Å²	140.9	79%	0.791	80%	0.799	S	S	*	*				138.1	152.2	124.2	-150.2	10.1	0	0	0	115.2
291	E	32.6	Very low	31.8	Very low	182 Å²	182	141.7 Å²	141.7	85%	0.85	80%	0.797	S	S	*	*			trans	112.7	110.2	159.7	-58.1	-164.4	161.5	0	0	120.4
292	G	30.9	Very low	31.7	Very low	70 Å²	70	137.5 Å²	137.5	72%	0.722	79%	0.794	S	S	*	*				95.5	95.3	127.5	0	0	0	0	0	117.5
293	Q	28.8	Very low	31.8	Very low	186 Å²	186	139.6 Å²	139.6	87%	0.869	80%	0.799	S	S	*	*				35.3	121.4	88.1	-68.9	-178.2	-11.4	0	0	114.2
294	T	26.3	Very low	31.7	Very low	115 Å²	115	139.9 Å²	139.9	71%	0.706	80%	0.798	S	S	*	*				172.2	139.5	90.8	-23.6	0	0	0	0	111.1
295	R	28.3	Very low	31.5	Very low	210 Å²	210	143 Å²	143	79%	0.792	80%	0.8	S	S	*	*			trans	39.4	142.1	134.2	-75.3	171.4	175.7	177.4	-2	119.5
296	E	31	Very low	31.2	Very low	160 Å²	160	142.7 Å²	142.7	75%	0.748	80%	0.798	S	S	*	*			cis	-177.1	147.5	36.5	-128.3	156.2	-155.1	0	0	109.6
297	D	27.7	Very low	30.7	Very low	150 Å²	150	145.9 Å²	145.9	80%	0.802	81%	0.805	S	S	*	*			trans	-51.8	149.8	168.7	-88.6	-55.3	0	0	0	114.7
298	Q	33.6	Very low	30.7	Very low	197 Å²	197	148.6 Å²	148.6	92%	0.921	80%	0.801	S	S	*	*			trans	-158	112.8	137.6	-110.3	166	63.6	0	0	112.6
299	N	32.1	Very low	30.5	Very low	140 Å²	140	152.4 Å²	152.4	75%	0.749	80%	0.8	S	S	*	*			trans	-75.6	167	171.6	-141.8	0.6	0	0	0	110.8
300	P	35.8	Very low	30.3	Very low	119 Å²	119	155.7 Å²	155.7	77%	0.773	81%	0.806	S	S	*	*				-151.3	174.1	104.9	31.8	-9.1	0	0	0	116.3
301	P	35.7	Very low	30.4	Very low	117 Å²	117	153 Å²	153	76%	0.76	81%	0.805	S	S	*	*			trans	-113.5	165.6	-147.1	42.9	-35	0	0	0	116.1
302	A	33.2	Very low	30.1	Very low	100 Å²	100	153.3 Å²	153.3	83%	0.826	81%	0.806	S	S	*	*			trans	-174.6	105.1	150.2	0	0	0	0	0	114.2
303	Q	31.7	Very low	30.1	Very low	194 Å²	194	159.2 Å²	159.2	91%	0.907	82%	0.815	S	S	*	*				29	159.9	129.1	-87.9	-172.2	-4.6	0	0	124.9
304	P	29.3	Very low	30.1	Very low	111 Å²	111	160 Å²	160	72%	0.721	82%	0.818	S	S	*	*				-122	157	-121.8	41.7	-28.2	0	0	0	116.4
305	Q	30.4	Very low	30.3	Very low	182 Å²	182	162.4 Å²	162.4	85%	0.85	82%	0.822	S	S	*	*			trans	-157	106.2	162.5	-100.9	164.7	9.9	0	0	108.5
306	Q	26.6	Very low	30.6	Very low	174 Å²	174	157.8 Å²	157.8	81%	0.813	82%	0.819	S	S	*	*				58.1	98.8	98.1	-78.1	-174.9	-6.4	0	0	115.4
307	Q	28.6	Very low	30.7	Very low	171 Å²	171	159.1 Å²	159.1	80%	0.799	83%	0.825	S	S	*	*				167.5	137.5	122.4	-94.1	169.6	8.7	0	0	113.5
308	Q	28.6	Very low	30.8	Very low	155 Å²	155	157 Å²	157	72%	0.724	81%	0.814	S	S	*	*			trans	73	115.8	158.9	-61.1	165.2	-0.3	0	0	116.6
309	H	30.7	Very low	30.8	Very low	181 Å²	181	154.6 Å²	154.6	84%	0.838	80%	0.804	S	S	*	*				-156.5	124.2	58.5	-79.4	70.5	0	0	0	111.8
310	Q	26.4	Very low	30.9	Very low	207 Å²	207	156 Å²	156	97%	0.967	81%	0.807	S	S	*	*			trans	-106.1	117.9	165.2	-109.4	176.4	-3.3	0	0	107.8
311	A	29.6	Very low	31.1	Very low	92 Å²	92	153.4 Å²	153.4	76%	0.76	79%	0.791	S	S	*	*			trans	-141.4	136.5	163.9	0	0	0	0	0	108.3
312	Q	27.1	Very low	31.2	Very low	188 Å²	188	151 Å²	151	88%	0.879	77%	0.769	S	S	*	*	S	Bend	trans	87.3	75.2	174.9	-60.6	174.6	1.2	0	0	117.7
313	Q	30.6	Very low	31.7	Very low	194 Å²	194	151 Å²	151	91%	0.907	75%	0.754	S	S	*	*			trans	-167.8	87.1	137.7	-106.5	166.6	54.6	0	0	108.2
314	Q	29.4	Very low	32.2	Very low	202 Å²	202	142.9 Å²	142.9	94%	0.944	72%	0.718	S	S	*	*			trans	-105.5	87.9	166.6	-80.3	177.1	2.3	0	0	107.5
315	Q	30.1	Very low	33	Very low	167 Å²	167	139.1 Å²	139.1	78%	0.78	69%	0.691	S	S	*	*			trans	-84.7	135.8	152.1	-108.5	169.6	-9.6	0	0	106.2	Q317	Q315-Q317 PolarHBondContact O-N 3.39Å
316	P	34.1	Very low	33.7	Very low	113 Å²	113	132.4 Å²	132.4	73%	0.734	66%	0.659	S	S	*	*			trans	-72.3	98.1	-175.4	28.6	-30.7	0	0	0	109.1	N318	P316-N318 PolarHBondContact O-N 3.3Å
317	Q	33.3	Very low	34.5	Very low	187 Å²	187	125.1 Å²	125.1	87%	0.874	63%	0.625	S	S	*	*			trans	-76.1	18.6	168.6	-76.1	-168	-31	0	0	112.9	Q315	Q315-Q317 PolarHBondContact O-N 3.39Å
318	N	30.5	Very low	35.6	Very low	105 Å²	105	119.7 Å²	119.7	56%	0.561	60%	0.601	S	S	*	*			trans	-113.3	49.9	-171.3	-86.7	29.6	0	0	0	109.9	P316 E320 S321 F322	P316-N318 PolarHBondContact O-N 3.3Å; N318-E320 VanDerWaalsContact C-N 3.27Å; N318-S321 VanDerWaalsContact CB-OG 3.25Å; N318-S321 WeakPolarHBondContact CB-OG 3.35Å; N318-S321 PolarHBondContact O-OG 3.22Å; N318-F322 WeakPolarHBondContact O-CD2 3.3Å
319	M	32.5	Very low	36.2	Very low	147 Å²	147	114.4 Å²	114.4	72%	0.724	58%	0.58	S	S	*	*	S	Bend	trans	-69.5	-28.4	176.6	-162.5	176.9	-74.6	0	0	111.3	S321 F322	M319-S321 PolarHBondContact O-N 2.8Å; M319-F322 PolarHBondContact O-N 3.47Å; M319-F322 VanDerWaalsContact O-N 3.16Å
320	E	34.2	Very low	36.6	Very low	171 Å²	171	111.7 Å²	111.7	80%	0.799	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-67.2	-32.6	178.8	-65.4	-176.4	141.3	0	0	113.1	N318 F322 L323	N318-E320 VanDerWaalsContact C-N 3.27Å; E320-F322 PolarHBondContact O-N 3.28Å; E320-L323 PolarHBondContact O-N 3.5Å
321	S	39.8	Very low	37.5	Very low	63 Å²	63	105.8 Å²	105.8	44%	0.441	54%	0.538	S	S	.	.	G	3₁₀ helix	trans	-71.7	-13	174.3	29.8	0	0	0	0	114.2	N318 M319	N318-S321 VanDerWaalsContact CB-OG 3.25Å; N318-S321 WeakPolarHBondContact CB-OG 3.35Å; N318-S321 PolarHBondContact O-OG 3.22Å; M319-S321 PolarHBondContact O-N 2.8Å
322	F	38.6	Very low	38.5	Very low	67 Å²	67	103.7 Å²	103.7	29%	0.294	52%	0.521	S	S	.	.	G	3₁₀ helix	trans	-93.9	-19	176.8	-85.3	-86.5	0	0	0	113.9	N318 M319 E320 P324 F325 L417	N318-F322 WeakPolarHBondContact O-CD2 3.3Å; M319-F322 PolarHBondContact O-N 3.47Å; M319-F322 VanDerWaalsContact O-N 3.16Å; E320-F322 PolarHBondContact O-N 3.28Å; F322-P324 VanDerWaalsContact C-CD 3.48Å; F322-F325 WeakPolarHBondContact O-CB 3.16Å; F322-F325 PolarHBondContact O-N 2.63Å; F322-L417 HydrophobicContact CE1-CG 4.36Å
323	L	43.2	Very low	39.2	Very low	100 Å²	100	98.8 Å²	98.8	52%	0.524	50%	0.497	S	S	.	.	G	3₁₀ helix	trans	-51.7	-44.2	179.4	-68.5	178.6	0	0	0	115.2	E320 F325 F326	E320-L323 PolarHBondContact O-N 3.5Å; L323-F325 PolarHBondContact O-N 2.78Å; L323-F325 VanDerWaalsContact O-N 3.1Å; L323-F326 PolarHBondContact O-N 3.4Å; L323-F326 VanDerWaalsContact O-N 3.1Å
324	P	43.5	Very low	39.7	Very low	23 Å²	23	94.3 Å²	94.3	15%	0.149	48%	0.476	C	S	.	.	G	3₁₀ helix	trans	-62.1	-22	178.7	19	-29.9	0	0	0	113.5	F322 M327 L394 L400	F322-P324 VanDerWaalsContact C-CD 3.48Å; P324-M327 WeakPolarHBondContact O-CB 3.45Å; P324-M327 PolarHBondContact O-N 3.27Å; P324-L394 HydrophobicContact CB-CD1 3.39Å; P324-L394 HydrophobicContact CB-CG 4.07Å; P324-L400 HydrophobicContact CB-CD2 4.03Å; P324-L400 HydrophobicContact CG-CD1 3.92Å; P324-L400 HydrophobicContact CG-CD2 3.98Å; P324-L400 HydrophobicContact CG-CG 4.36Å
325	F	45.1	Very low	40.5	Very low	33 Å²	33	89.2 Å²	89.2	15%	0.145	46%	0.455	C	S	.	.	G	3₁₀ helix	trans	-76.9	-28.1	178.5	-156	-84.1	0	0	0	112.9	F322 L323 M327 I328 L407 F414 L417 M418	F322-F325 WeakPolarHBondContact O-CB 3.16Å; F322-F325 PolarHBondContact O-N 2.63Å; L323-F325 PolarHBondContact O-N 2.78Å; L323-F325 VanDerWaalsContact O-N 3.1Å; F325-M327 PolarHBondContact O-N 3.42Å; F325-I328 HydrophobicContact CE2-CD1 4.45Å; F325-I328 PolarHBondContact O-N 3.32Å; F325-L407 HydrophobicContact CE2-CD2 4.01Å; F325-F414 HydrophobicContact CE2-CD2 4.33Å; F325-F414 HydrophobicContact CE2-CE2 4.31Å; F325-F414 AromaticContact CZ-CD2 3.93Å; F325-F414 HydrophobicContact CZ-CD2 3.93Å; F325-F414 AromaticContact CZ-CE2 3.64Å; F325-F414 HydrophobicContact CZ-CE2 3.64Å; F325-L417 HydrophobicContact CD1-CD1 4.28Å; F325-L417 HydrophobicContact CD1-CD2 3.26Å; F325-L417 HydrophobicContact CD1-CG 4.39Å; F325-L417 HydrophobicContact CD2-CD1 3.35Å; F325-L417 HydrophobicContact CD2-CD2 3.92Å; F325-L417 HydrophobicContact CD2-CG 4.27Å; F325-L417 HydrophobicContact CE1-CD1 4.3Å; F325-L417 HydrophobicContact CE1-CD2 3.07Å; F325-L417 HydrophobicContact CE1-CG 4.24Å; F325-L417 HydrophobicContact CE2-CD1 3.39Å; F325-L417 HydrophobicContact CE2-CD2 3.77Å; F325-L417 HydrophobicContact CE2-CG 4.12Å; F325-L417 HydrophobicContact CG-CD1 3.81Å; F325-L417 HydrophobicContact CG-CD2 3.66Å; F325-L417 HydrophobicContact CG-CG 4.38Å; F325-L417 HydrophobicContact CZ-CD1 3.85Å; F325-L417 HydrophobicContact CZ-CD2 3.32Å; F325-L417 HydrophobicContact CZ-CG 4.07Å; F325-M418 HydrophobicContact CE1-CE 4.36Å
326	F	45.6	Very low	41.2	Very low	41 Å²	41	86 Å²	86	18%	0.18	44%	0.443	C	S	.	.	G	3₁₀ helix	trans	-67.4	-12.6	172.3	-75.3	-83	0	0	0	112.9	L323 H421 M441	L323-F326 PolarHBondContact O-N 3.4Å; L323-F326 VanDerWaalsContact O-N 3.1Å; F326-H421 AromaticContact CD1-CE1 3.77Å; F326-H421 AromaticContact CE1-CE1 3.42Å; F326-H421 VanDerWaalsContact CE1-CE1 3.42Å; F326-H421 WeakPolarHBondContact CE1-CE1 3.45Å; F326-H421 AromaticContact CE1-ND1 3.73Å; F326-M441 HydrophobicContact CB-CE 4.42Å; F326-M441 HydrophobicContact CD1-CE 3.27Å; F326-M441 HydrophobicContact CD1-SD 3.82Å; F326-M441 HydrophobicContact CD2-CE 4.06Å; F326-M441 HydrophobicContact CE1-CE 3.3Å; F326-M441 HydrophobicContact CE1-SD 3.66Å; F326-M441 HydrophobicContact CE2-CE 4.09Å; F326-M441 HydrophobicContact CG-CE 3.67Å; F326-M441 HydrophobicContact CZ-CE 3.73Å; F326-M441 HydrophobicContact CZ-SD 4.46Å
327	M	43.1	Very low	41.8	Very low	20 Å²	20	84.8 Å²	84.8	10%	0.099	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	-84.8	-14.8	179.1	-62.2	-137	78.1	0	0	114.4	P324 F325 P329 N388 D390 L391	P324-M327 WeakPolarHBondContact O-CB 3.45Å; P324-M327 PolarHBondContact O-N 3.27Å; F325-M327 PolarHBondContact O-N 3.42Å; M327-P329 WeakPolarHBondContact O-CD 3.15Å; M327-N388 HydrophobicContact CE-CB 3.43Å; M327-N388 VanDerWaalsContact CE-CB 3.43Å; M327-N388 WeakPolarHBondContact CE-OD1 3.28Å; M327-D390 HydrophobicContact SD-CB 3.64Å; M327-L391 HydrophobicContact CB-CD1 4.5Å; M327-L391 HydrophobicContact CE-CD1 3.72Å; M327-L391 HydrophobicContact CE-CG 4.1Å; M327-L391 HydrophobicContact SD-CB 4.27Å; M327-L391 HydrophobicContact SD-CD1 4.08Å; M327-L391 HydrophobicContact SD-CG 3.8Å
328	I	51.4	Low	42.6	Very low	58 Å²	58	81 Å²	81	30%	0.297	41%	0.412	S	S	.	.	S	Bend	trans	-80.6	121.4	-178	-56.2	-176.7	0	0	0	108.4	F325 F330 T404	F325-I328 HydrophobicContact CE2-CD1 4.45Å; F325-I328 PolarHBondContact O-N 3.32Å; I328-F330 PolarHBondContact O-N 3.48Å; I328-F330 VanDerWaalsContact O-N 3.11Å; I328-T404 HydrophobicContact CD1-CG2 4.15Å
329	P	40.5	Very low	43.6	Very low	43 Å²	43	82.3 Å²	82.3	28%	0.279	42%	0.419	S	S	.	.			trans	-59.7	120.7	178.3	-10.5	19.8	0	0	0	109.5	M327 Q331 A332 M449	M327-P329 WeakPolarHBondContact O-CD 3.15Å; P329-Q331 PolarHBondContact O-N 2.7Å; P329-Q331 VanDerWaalsContact O-N 3.16Å; P329-A332 HydrophobicContact CB-CB 3.85Å; P329-A332 HydrophobicContact CG-CB 3.91Å; P329-A332 WeakPolarHBondContact O-CB 3.29Å; P329-A332 PolarHBondContact O-N 2.71Å; P329-M449 WeakPolarHBondContact CA-SD 3.43Å; P329-M449 HydrophobicContact CB-SD 3.37Å; P329-M449 WeakPolarHBondContact CB-SD 3.41Å; P329-M449 HydrophobicContact CG-CG 4.4Å; P329-M449 HydrophobicContact CG-SD 3.49Å; P329-M449 WeakPolarHBondContact CG-SD 3.46Å
330	F	40.4	Very low	44.1	Very low	125 Å²	125	80.1 Å²	80.1	55%	0.548	41%	0.408	S	S	.	.	H	α-helix	trans	-52.5	-36.7	170.6	-171.4	-93.1	0	0	0	110.9	I328 A332 F333 E334 M418	I328-F330 PolarHBondContact O-N 3.48Å; I328-F330 VanDerWaalsContact O-N 3.11Å; F330-A332 VanDerWaalsContact C-N 3.35Å; F330-A332 PolarHBondContact O-N 3.5Å; F330-F333 PolarHBondContact O-N 3.39Å; F330-E334 HydrophobicContact CD1-CG 4.35Å; F330-E334 HydrophobicContact CE1-CG 4.04Å; F330-E334 PolarHBondContact O-N 2.79Å; F330-M418 HydrophobicContact CD2-CE 4.42Å; F330-M418 HydrophobicContact CE2-CE 4.41Å; F330-M418 HydrophobicContact CE2-SD 4.46Å
331	Q	45.1	Very low	45.1	Very low	83 Å²	83	77.5 Å²	77.5	39%	0.388	40%	0.396	S	S	.	.	H	α-helix	trans	-68.9	-24.1	175.7	-75.3	174.4	-25.4	0	0	114.6	P329 F333 N335	P329-Q331 PolarHBondContact O-N 2.7Å; P329-Q331 VanDerWaalsContact O-N 3.16Å; Q331-F333 VanDerWaalsContact C-N 3.27Å; Q331-N335 VanDerWaalsContact O-CB 3.28Å; Q331-N335 WeakPolarHBondContact O-CB 3.04Å; Q331-N335 PolarHBondContact O-N 3.48Å; Q331-N335 PolarHBondContact O-ND2 3.46Å
332	A	50.3	Low	45.7	Very low	47 Å²	47	84.2 Å²	84.2	39%	0.388	41%	0.411	S	S	.	.	H	α-helix	trans	-68.7	-34	174	0	0	0	0	0	110.4	P329 F330 L336	P329-A332 HydrophobicContact CB-CB 3.85Å; P329-A332 HydrophobicContact CG-CB 3.91Å; P329-A332 WeakPolarHBondContact O-CB 3.29Å; P329-A332 PolarHBondContact O-N 2.71Å; F330-A332 VanDerWaalsContact C-N 3.35Å; F330-A332 PolarHBondContact O-N 3.5Å; A332-L336 WeakPolarHBondContact O-CB 3.23Å; A332-L336 PolarHBondContact O-N 3.15Å
333	F	42.3	Very low	45.8	Very low	85 Å²	85	89.4 Å²	89.4	37%	0.373	44%	0.436	S	S	.	.	H	α-helix	trans	-77.7	-37.7	174.6	-113.6	-91.2	0	0	0	112.4	F330 Q331 L336 N337 F414	F330-F333 PolarHBondContact O-N 3.39Å; Q331-F333 VanDerWaalsContact C-N 3.27Å; F333-L336 PolarHBondContact O-N 3.33Å; F333-N337 WeakPolarHBondContact O-CB 3.47Å; F333-N337 PolarHBondContact O-N 3.41Å; F333-F414 HydrophobicContact CD1-CE1 4.01Å; F333-F414 AromaticContact CD1-CZ 3.8Å; F333-F414 HydrophobicContact CD1-CZ 3.8Å; F333-F414 HydrophobicContact CD2-CE2 4.33Å; F333-F414 HydrophobicContact CD2-CZ 4.02Å; F333-F414 HydrophobicContact CE1-CD1 4.38Å; F333-F414 AromaticContact CE1-CE1 3.71Å; F333-F414 HydrophobicContact CE1-CE1 3.71Å; F333-F414 HydrophobicContact CE1-CE2 4.2Å; F333-F414 AromaticContact CE1-CZ 3.6Å; F333-F414 HydrophobicContact CE1-CZ 3.6Å; F333-F414 AromaticContact CE2-CE2 3.82Å; F333-F414 HydrophobicContact CE2-CE2 3.82Å; F333-F414 AromaticContact CE2-CZ 3.85Å; F333-F414 HydrophobicContact CE2-CZ 3.85Å; F333-F414 AromaticContact CG-CZ 3.99Å; F333-F414 HydrophobicContact CG-CZ 3.99Å; F333-F414 HydrophobicContact CZ-CD2 4.31Å; F333-F414 HydrophobicContact CZ-CE1 4.09Å; F333-F414 AromaticContact CZ-CE2 3.74Å; F333-F414 HydrophobicContact CZ-CE2 3.74Å; F333-F414 AromaticContact CZ-CZ 3.63Å; F333-F414 HydrophobicContact CZ-CZ 3.63Å
334	E	39.8	Very low	45.4	Very low	100 Å²	100	87.1 Å²	87.1	47%	0.467	44%	0.437	S	S	.	.	H	α-helix	trans	-65.2	-43.1	173.1	-89.9	-175	145.3	0	0	112.3	F330 L336 N337 E338	F330-E334 HydrophobicContact CD1-CG 4.35Å; F330-E334 HydrophobicContact CE1-CG 4.04Å; F330-E334 PolarHBondContact O-N 2.79Å; E334-L336 VanDerWaalsContact C-N 3.26Å; E334-L336 PolarHBondContact O-N 3.48Å; E334-N337 CarbonylContact O-C 3.49Å; E334-N337 PolarHBondContact O-N 3.39Å; E334-E338 VanDerWaalsContact O-CB 3.31Å; E334-E338 WeakPolarHBondContact O-CB 3.27Å; E334-E338 PolarHBondContact O-N 3.41Å
335	N	47.9	Very low	45.1	Very low	95 Å²	95	94.6 Å²	94.6	51%	0.508	48%	0.476	S	S	.	.	H	α-helix	trans	-66.4	-29.3	176.6	-77.8	-27.7	0	0	0	112.3	Q331 L339	Q331-N335 VanDerWaalsContact O-CB 3.28Å; Q331-N335 WeakPolarHBondContact O-CB 3.04Å; Q331-N335 PolarHBondContact O-N 3.48Å; Q331-N335 PolarHBondContact O-ND2 3.46Å; N335-L339 WeakPolarHBondContact O-CB 3.5Å; N335-L339 PolarHBondContact O-N 3.33Å
336	L	45	Very low	44.6	Very low	100 Å²	100	96.7 Å²	96.7	52%	0.524	51%	0.507	S	S	.	.	H	α-helix	trans	-73.4	-38.8	174.2	-141.5	149.5	0	0	0	110.9	A332 F333 E334 E338 M340 L352	A332-L336 WeakPolarHBondContact O-CB 3.23Å; A332-L336 PolarHBondContact O-N 3.15Å; F333-L336 PolarHBondContact O-N 3.33Å; E334-L336 VanDerWaalsContact C-N 3.26Å; E334-L336 PolarHBondContact O-N 3.48Å; L336-E338 VanDerWaalsContact C-N 3.34Å; L336-M340 VanDerWaalsContact O-CB 3.31Å; L336-M340 WeakPolarHBondContact O-CB 3.4Å; L336-M340 PolarHBondContact O-N 2.76Å; L336-L352 HydrophobicContact CD2-CD1 4.38Å
337	N	46.6	Very low	44.2	Very low	87 Å²	87	103.4 Å²	103.4	47%	0.465	54%	0.538	S	S	.	.	H	α-helix	trans	-68.2	-33.3	173.3	-164.1	22.7	0	0	0	112.2	F333 E334 Q341	F333-N337 WeakPolarHBondContact O-CB 3.47Å; F333-N337 PolarHBondContact O-N 3.41Å; E334-N337 CarbonylContact O-C 3.49Å; E334-N337 PolarHBondContact O-N 3.39Å; N337-Q341 WeakPolarHBondContact O-CG 3.37Å; N337-Q341 PolarHBondContact O-N 2.85Å; N337-Q341 VanDerWaalsContact O-N 3.17Å; N337-Q341 PolarHBondContact OD1-NE2 2.93Å
338	E	50.4	Low	43.7	Very low	108 Å²	108	111.9 Å²	111.9	51%	0.505	58%	0.578	S	S	.	*	H	α-helix	trans	-80	-36.3	178.2	-150.6	176.1	151.7	0	0	111.9	E334 L336 M340 Q341 R342	E334-E338 VanDerWaalsContact O-CB 3.31Å; E334-E338 WeakPolarHBondContact O-CB 3.27Å; E334-E338 PolarHBondContact O-N 3.41Å; L336-E338 VanDerWaalsContact C-N 3.34Å; E338-M340 VanDerWaalsContact C-N 3.28Å; E338-M340 PolarHBondContact O-N 3.46Å; E338-Q341 PolarHBondContact O-N 3.22Å; E338-R342 WeakPolarHBondContact O-CB 3.36Å; E338-R342 WeakPolarHBondContact O-CG 3.24Å; E338-R342 PolarHBondContact O-N 3.22Å
339	L	50.6	Low	43.1	Very low	133 Å²	133	112.6 Å²	112.6	70%	0.696	59%	0.592	S	S	*	*	H	α-helix	trans	-62.6	-37.8	170.3	-166	82.6	0	0	0	110.9	N335 Q341 R342	N335-L339 WeakPolarHBondContact O-CB 3.5Å; N335-L339 PolarHBondContact O-N 3.33Å; L339-Q341 VanDerWaalsContact C-N 3.3Å; L339-Q341 PolarHBondContact O-N 3.14Å; L339-R342 PolarHBondContact O-N 2.73Å
340	M	42.5	Very low	43.2	Very low	101 Å²	101	114.2 Å²	114.2	50%	0.498	60%	0.603	S	S	.	*	H	α-helix	trans	-73	-21	177.2	-154.6	173	81.1	0	0	113.1	L336 E338 L352	L336-M340 VanDerWaalsContact O-CB 3.31Å; L336-M340 WeakPolarHBondContact O-CB 3.4Å; L336-M340 PolarHBondContact O-N 2.76Å; E338-M340 VanDerWaalsContact C-N 3.28Å; E338-M340 PolarHBondContact O-N 3.46Å; M340-L352 HydrophobicContact SD-CD1 3.91Å
341	Q	55.3	Low	43.6	Very low	116 Å²	116	113.6 Å²	113.6	54%	0.542	61%	0.605	S	S	.	*	H	α-helix	trans	-92.3	-14.9	172.5	-76.9	176.4	44.9	0	0	113.7	N337 E338 L339	N337-Q341 WeakPolarHBondContact O-CG 3.37Å; N337-Q341 PolarHBondContact O-N 2.85Å; N337-Q341 VanDerWaalsContact O-N 3.17Å; N337-Q341 PolarHBondContact OD1-NE2 2.93Å; E338-Q341 PolarHBondContact O-N 3.22Å; L339-Q341 VanDerWaalsContact C-N 3.3Å; L339-Q341 PolarHBondContact O-N 3.14Å
342	R	52	Low	43.8	Very low	204 Å²	204	113.6 Å²	113.6	77%	0.77	61%	0.607	S	S	*	*	H	α-helix	trans	-90.5	-14.3	-179.2	-78.2	-160.3	82.3	138.3	4.1	115.4	E338 L339	E338-R342 WeakPolarHBondContact O-CB 3.36Å; E338-R342 WeakPolarHBondContact O-CG 3.24Å; E338-R342 PolarHBondContact O-N 3.22Å; L339-R342 PolarHBondContact O-N 2.73Å
343	Q	41.7	Very low	44	Very low	175 Å²	175	116.3 Å²	116.3	82%	0.818	61%	0.612	S	S	*	*	S	Bend	trans	-98.2	91.2	157.3	-80.1	-176.5	-3.8	0	0	105.8
344	G	33.9	Very low	44.8	Very low	52 Å²	52	117.4 Å²	117.4	54%	0.536	62%	0.619	S	S	.	*				125.1	120.6	56.5	0	0	0	0	0	104.5	G346	G344-G346 PolarHBondContact O-N 3.48Å
345	D	38.7	Very low	45.5	Very low	181 Å²	181	116.3 Å²	116.3	97%	0.968	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-37.2	126.7	171.1	-89.4	-54.6	0	0	0	111.8
346	G	34.3	Very low	45.9	Very low	77 Å²	77	113.8 Å²	113.8	79%	0.794	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	101.1	2	149	0	0	0	0	0	119.4	G344	G344-G346 PolarHBondContact O-N 3.48Å
347	Q	36.2	Very low	46.8	Very low	181 Å²	181	113.3 Å²	113.3	85%	0.846	60%	0.597	S	S	*	*	S	Bend	trans	-136.7	130.4	169.4	-72.8	-177.4	-9.7	0	0	111	A349	Q347-A349 PolarHBondContact O-N 3.39Å
348	E	32.9	Very low	47.4	Very low	199 Å²	199	113.6 Å²	113.6	93%	0.93	60%	0.598	S	S	*	*			trans	-39.6	105.2	178	-64.4	171.9	153.1	0	0	110.7
349	A	38.5	Very low	48.2	Very low	72 Å²	72	112.7 Å²	112.7	60%	0.595	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-66.5	123.1	173.5	0	0	0	0	0	107.4	Q347 N351	Q347-A349 PolarHBondContact O-N 3.39Å; A349-N351 PolarHBondContact O-N 3.13Å
350	P	43.5	Very low	49.4	Very low	77 Å²	77	113.2 Å²	113.2	50%	0.5	60%	0.601	S	S	.	*	P	Polyproline II helix	trans	-58.8	141	178.7	25.3	-32.4	0	0	0	108.3	L352 E354	P350-L352 PolarHBondContact O-N 3.03Å; P350-E354 HydrophobicContact CB-CB 4.16Å
351	N	47.4	Very low	50.2	Low	112 Å²	112	111.1 Å²	111.1	60%	0.599	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-48	138.7	177.6	-85.1	-45.3	0	0	0	109	A349 Q353 E354 L355	A349-N351 PolarHBondContact O-N 3.13Å; N351-Q353 HydrophobicContact CB-CB 3.83Å; N351-Q353 CarbonylContact O-C 3.19Å; N351-Q353 PolarHBondContact O-N 3.35Å; N351-Q353 VanDerWaalsContact O-N 3.09Å; N351-E354 HydrophobicContact CB-CB 4.04Å; N351-E354 PolarHBondContact N-OE2 3.42Å; N351-E354 CarbonylContact O-C 3.55Å; N351-E354 VanDerWaalsContact O-CA 3.25Å; N351-E354 WeakPolarHBondContact O-CA 3.39Å; N351-E354 VanDerWaalsContact O-CB 3.23Å; N351-E354 WeakPolarHBondContact O-CB 3.38Å; N351-E354 PolarHBondContact O-N 3.48Å; N351-L355 PolarHBondContact O-N 2.85Å
352	L	50.4	Low	50.7	Low	83 Å²	83	110.9 Å²	110.9	44%	0.435	59%	0.585	S	S	.	*	H	α-helix	trans	-54.5	-31.1	167.9	-166.9	93.6	0	0	0	109.5	L336 M340 P350 L355 L356	L336-L352 HydrophobicContact CD2-CD1 4.38Å; M340-L352 HydrophobicContact SD-CD1 3.91Å; P350-L352 PolarHBondContact O-N 3.03Å; L352-L355 PolarHBondContact O-N 3.05Å; L352-L356 HydrophobicContact CD2-CD1 3.83Å; L352-L356 HydrophobicContact CG-CD1 3.89Å; L352-L356 WeakPolarHBondContact O-CB 3.24Å; L352-L356 PolarHBondContact O-N 3.23Å
353	Q	53.8	Low	51.6	Low	105 Å²	105	105.9 Å²	105.9	49%	0.491	57%	0.573	S	S	.	*	H	α-helix	trans	-53.5	-51.4	165.2	-145.1	93.8	22.1	0	0	111.8	N351 L356 E357	N351-Q353 HydrophobicContact CB-CB 3.83Å; N351-Q353 CarbonylContact O-C 3.19Å; N351-Q353 PolarHBondContact O-N 3.35Å; N351-Q353 VanDerWaalsContact O-N 3.09Å; Q353-L356 PolarHBondContact O-N 2.73Å; Q353-E357 WeakPolarHBondContact O-CA 3.46Å; Q353-E357 WeakPolarHBondContact O-CB 3.29Å; Q353-E357 WeakPolarHBondContact O-CG 3.42Å; Q353-E357 PolarHBondContact O-N 3.08Å
354	E	59	Low	52.8	Low	108 Å²	108	98.7 Å²	98.7	51%	0.505	54%	0.54	S	S	.	.	H	α-helix	trans	-62.5	-38.6	174.9	-109.2	171.9	155.5	0	0	113.4	P350 N351 E357 N358	P350-E354 HydrophobicContact CB-CB 4.16Å; N351-E354 HydrophobicContact CB-CB 4.04Å; N351-E354 PolarHBondContact N-OE2 3.42Å; N351-E354 CarbonylContact O-C 3.55Å; N351-E354 VanDerWaalsContact O-CA 3.25Å; N351-E354 WeakPolarHBondContact O-CA 3.39Å; N351-E354 VanDerWaalsContact O-CB 3.23Å; N351-E354 WeakPolarHBondContact O-CB 3.38Å; N351-E354 PolarHBondContact O-N 3.48Å; E354-E357 CarbonylContact O-C 3.59Å; E354-E357 PolarHBondContact O-N 3.42Å; E354-N358 PolarHBondContact O-N 2.63Å
355	L	54.8	Low	54.2	Low	77 Å²	77	99.5 Å²	99.5	40%	0.403	53%	0.529	S	S	.	.	H	α-helix	trans	-70.7	-42	178.1	-161.7	89	0	0	0	111.8	N351 L352 N358 M361	N351-L355 PolarHBondContact O-N 2.85Å; L352-L355 PolarHBondContact O-N 3.05Å; L355-N358 WeakPolarHBondContact O-CB 3.35Å; L355-N358 PolarHBondContact O-N 2.96Å; L355-M361 HydrophobicContact CD2-CE 4.18Å; L355-M361 HydrophobicContact CG-CE 4.19Å
356	L	57	Low	55.9	Low	42 Å²	42	96.3 Å²	96.3	22%	0.22	51%	0.512	C	S	.	.	H	α-helix	trans	-69.3	-25.6	170.3	-99.9	118.4	0	0	0	112	L352 Q353 N358 M361 F365	L352-L356 HydrophobicContact CD2-CD1 3.83Å; L352-L356 HydrophobicContact CG-CD1 3.89Å; L352-L356 WeakPolarHBondContact O-CB 3.24Å; L352-L356 PolarHBondContact O-N 3.23Å; Q353-L356 PolarHBondContact O-N 2.73Å; L356-N358 VanDerWaalsContact C-N 3.34Å; L356-M361 HydrophobicContact CG-SD 4.41Å; L356-F365 HydrophobicContact CD2-CD2 4.19Å; L356-F365 HydrophobicContact CD2-CE2 3.46Å; L356-F365 VanDerWaalsContact CD2-CE2 3.46Å; L356-F365 HydrophobicContact CD2-CZ 3.78Å; L356-F365 HydrophobicContact CG-CE2 3.9Å; L356-F365 HydrophobicContact CG-CZ 4.32Å
357	E	62.7	Low	57.7	Low	90 Å²	90	97.5 Å²	97.5	42%	0.421	50%	0.497	S	S	.	.	H	α-helix	trans	-82.6	-9	176.8	-80.9	-176.9	-163.1	0	0	113.6	Q353 E354 S359 R362	Q353-E357 WeakPolarHBondContact O-CA 3.46Å; Q353-E357 WeakPolarHBondContact O-CB 3.29Å; Q353-E357 WeakPolarHBondContact O-CG 3.42Å; Q353-E357 PolarHBondContact O-N 3.08Å; E354-E357 CarbonylContact O-C 3.59Å; E354-E357 PolarHBondContact O-N 3.42Å; E357-S359 PolarHBondContact O-N 3.5Å; E357-R362 VanDerWaalsContact CB-NH2 3.31Å; E357-R362 PolarHBondContact O-NE 3.39Å; E357-R362 IonicContact OE2-NH2 3.2Å; E357-R362 PolarHBondContact OE2-NH2 2.91Å
358	N	59.6	Low	59	Low	92 Å²	92	90.5 Å²	90.5	49%	0.492	47%	0.467	S	S	.	.	S	Bend	trans	-54.3	134.4	172.9	-98.8	-38.3	0	0	0	110.5	E354 L355 L356 F360 M361 R362	E354-N358 PolarHBondContact O-N 2.63Å; L355-N358 WeakPolarHBondContact O-CB 3.35Å; L355-N358 PolarHBondContact O-N 2.96Å; L356-N358 VanDerWaalsContact C-N 3.34Å; N358-F360 PolarHBondContact O-N 3.34Å; N358-M361 WeakPolarHBondContact O-CA 3.08Å; N358-M361 PolarHBondContact O-N 3.25Å; N358-R362 PolarHBondContact O-N 2.98Å
359	S	68	Low	61	Low	90 Å²	90	86 Å²	86	63%	0.629	45%	0.446	S	S	*	.	H	α-helix	trans	-53.8	-31.6	-177.6	-59.9	0	0	0	0	113.1	E357 N363	E357-S359 PolarHBondContact O-N 3.5Å; S359-N363 VanDerWaalsContact O-CB 3.3Å; S359-N363 WeakPolarHBondContact O-CB 3.36Å; S359-N363 PolarHBondContact O-N 2.89Å; S359-N363 PolarHBondContact O-ND2 2.88Å
360	F	74.4	Confident	62.8	Low	144 Å²	144	85.2 Å²	85.2	63%	0.632	43%	0.434	S	S	*	.	H	α-helix	trans	-64.9	-46.5	173.5	179.2	-109.7	0	0	0	112.4	N358 N363 L364	N358-F360 PolarHBondContact O-N 3.34Å; F360-N363 PolarHBondContact O-N 3.45Å; F360-L364 HydrophobicContact CD1-CD1 3.91Å; F360-L364 HydrophobicContact CD2-CD1 4.49Å; F360-L364 HydrophobicContact CE1-CD1 3.26Å; F360-L364 HydrophobicContact CE2-CD1 3.92Å; F360-L364 HydrophobicContact CG-CD1 4.49Å; F360-L364 HydrophobicContact CZ-CD1 3.27Å; F360-L364 HydrophobicContact CZ-CG 4.42Å; F360-L364 PolarHBondContact O-N 3.32Å
361	M	59.6	Low	64.1	Low	56 Å²	56	82.5 Å²	82.5	28%	0.276	42%	0.415	S	S	.	.	H	α-helix	trans	-70.8	-39.6	178.7	-118.6	175.8	-100.8	0	0	111.2	L355 L356 N358 N363 L364 F365	L355-M361 HydrophobicContact CD2-CE 4.18Å; L355-M361 HydrophobicContact CG-CE 4.19Å; L356-M361 HydrophobicContact CG-SD 4.41Å; N358-M361 WeakPolarHBondContact O-CA 3.08Å; N358-M361 PolarHBondContact O-N 3.25Å; M361-N363 VanDerWaalsContact C-N 3.26Å; M361-N363 PolarHBondContact O-N 3.46Å; M361-L364 PolarHBondContact O-N 3.18Å; M361-F365 HydrophobicContact CB-CD2 3.95Å; M361-F365 HydrophobicContact CB-CE2 3.75Å; M361-F365 HydrophobicContact CG-CD2 3.96Å; M361-F365 HydrophobicContact CG-CE2 3.35Å; M361-F365 HydrophobicContact CG-CZ 4.02Å; M361-F365 VanDerWaalsContact O-CB 3.31Å; M361-F365 WeakPolarHBondContact O-CB 3.25Å; M361-F365 WeakPolarHBondContact O-CD2 3.47Å; M361-F365 WeakPolarHBondContact O-CG 3.42Å; M361-F365 PolarHBondContact O-N 2.84Å; M361-F365 HydrophobicContact SD-CE2 3.71Å; M361-F365 HydrophobicContact SD-CZ 4.13Å
362	R	65.9	Low	65.2	Low	111 Å²	111	81 Å²	81	42%	0.419	40%	0.401	S	S	.	.	H	α-helix	trans	-58.1	-39.6	171	-66.2	-171.8	-160.4	-163.8	0.5	111.7	E357 N358 N366	E357-R362 VanDerWaalsContact CB-NH2 3.31Å; E357-R362 PolarHBondContact O-NE 3.39Å; E357-R362 IonicContact OE2-NH2 3.2Å; E357-R362 PolarHBondContact OE2-NH2 2.91Å; N358-R362 PolarHBondContact O-N 2.98Å; R362-N366 WeakPolarHBondContact O-CB 3.44Å; R362-N366 PolarHBondContact O-N 3.35Å; R362-N366 PolarHBondContact O-ND2 3.43Å
363	N	72.3	Confident	66.6	Low	100 Å²	100	82.1 Å²	82.1	54%	0.535	41%	0.408	S	S	.	.	H	α-helix	trans	-70.1	-39.5	176.8	-73.8	-17.2	0	0	0	112.6	S359 F360 M361 Q367	S359-N363 VanDerWaalsContact O-CB 3.3Å; S359-N363 WeakPolarHBondContact O-CB 3.36Å; S359-N363 PolarHBondContact O-N 2.89Å; S359-N363 PolarHBondContact O-ND2 2.88Å; F360-N363 PolarHBondContact O-N 3.45Å; M361-N363 VanDerWaalsContact C-N 3.26Å; M361-N363 PolarHBondContact O-N 3.46Å; N363-Q367 WeakPolarHBondContact O-CB 3.25Å; N363-Q367 VanDerWaalsContact O-CG 3.26Å; N363-Q367 WeakPolarHBondContact O-CG 3.3Å; N363-Q367 PolarHBondContact O-N 3.35Å
364	L	65.9	Low	67.3	Low	23 Å²	23	82 Å²	82	12%	0.12	41%	0.408	C	S	.	.	H	α-helix	trans	-65.6	-48	174.2	-104.8	156.5	0	0	0	111.8	F360 M361 N366 Q367 T370 I371 M374	F360-L364 HydrophobicContact CD1-CD1 3.91Å; F360-L364 HydrophobicContact CD2-CD1 4.49Å; F360-L364 HydrophobicContact CE1-CD1 3.26Å; F360-L364 HydrophobicContact CE2-CD1 3.92Å; F360-L364 HydrophobicContact CG-CD1 4.49Å; F360-L364 HydrophobicContact CZ-CD1 3.27Å; F360-L364 HydrophobicContact CZ-CG 4.42Å; F360-L364 PolarHBondContact O-N 3.32Å; M361-L364 PolarHBondContact O-N 3.18Å; L364-N366 VanDerWaalsContact C-N 3.31Å; L364-N366 PolarHBondContact O-N 2.79Å; L364-Q367 CarbonylContact O-C 3.3Å; L364-Q367 WeakPolarHBondContact O-CA 3.45Å; L364-Q367 PolarHBondContact O-N 3.46Å; L364-Q367 VanDerWaalsContact O-O 3.04Å; L364-T370 HydrophobicContact CD2-CG2 3.95Å; L364-I371 HydrophobicContact CB-CG1 4.5Å; L364-I371 HydrophobicContact CD2-CG1 3.65Å; L364-I371 VanDerWaalsContact O-CD1 3.27Å; L364-I371 WeakPolarHBondContact O-CD1 3.01Å; L364-I371 WeakPolarHBondContact O-CG1 3.25Å; L364-M374 HydrophobicContact CD2-CE 4.25Å
365	F	64	Low	67.8	Low	70 Å²	70	79.5 Å²	79.5	31%	0.307	40%	0.398	S	S	.	.	H	α-helix	trans	-65.5	-33.7	179.1	-71.6	-55.8	0	0	0	112.5	L356 M361 Q367 I371 M405	L356-F365 HydrophobicContact CD2-CD2 4.19Å; L356-F365 HydrophobicContact CD2-CE2 3.46Å; L356-F365 VanDerWaalsContact CD2-CE2 3.46Å; L356-F365 HydrophobicContact CD2-CZ 3.78Å; L356-F365 HydrophobicContact CG-CE2 3.9Å; L356-F365 HydrophobicContact CG-CZ 4.32Å; M361-F365 HydrophobicContact CB-CD2 3.95Å; M361-F365 HydrophobicContact CB-CE2 3.75Å; M361-F365 HydrophobicContact CG-CD2 3.96Å; M361-F365 HydrophobicContact CG-CE2 3.35Å; M361-F365 HydrophobicContact CG-CZ 4.02Å; M361-F365 VanDerWaalsContact O-CB 3.31Å; M361-F365 WeakPolarHBondContact O-CB 3.25Å; M361-F365 WeakPolarHBondContact O-CD2 3.47Å; M361-F365 WeakPolarHBondContact O-CG 3.42Å; M361-F365 PolarHBondContact O-N 2.84Å; M361-F365 HydrophobicContact SD-CE2 3.71Å; M361-F365 HydrophobicContact SD-CZ 4.13Å; F365-Q367 PolarHBondContact O-N 3.46Å; F365-I371 HydrophobicContact CD1-CD1 3.95Å; F365-I371 HydrophobicContact CE1-CD1 4.49Å; F365-M405 HydrophobicContact CD1-SD 3.97Å; F365-M405 HydrophobicContact CE1-CE 4.24Å; F365-M405 HydrophobicContact CE1-SD 3.72Å
366	N	74.1	Confident	68.9	Low	114 Å²	114	78.7 Å²	78.7	61%	0.61	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-10.8	173	-68.5	-17.6	0	0	0	112.9	R362 L364 P368	R362-N366 WeakPolarHBondContact O-CB 3.44Å; R362-N366 PolarHBondContact O-N 3.35Å; R362-N366 PolarHBondContact O-ND2 3.43Å; L364-N366 VanDerWaalsContact C-N 3.31Å; L364-N366 PolarHBondContact O-N 2.79Å; N366-P368 VanDerWaalsContact O-CD 3.26Å; N366-P368 WeakPolarHBondContact O-CD 3.28Å
367	Q	72.2	Confident	70	Confident	101 Å²	101	80.8 Å²	80.8	47%	0.472	41%	0.412	S	S	.	.			trans	-113.8	83.5	177.6	-68.5	-179.1	-25.6	0	0	111	N363 L364 F365 E369 T370 I371	N363-Q367 WeakPolarHBondContact O-CB 3.25Å; N363-Q367 VanDerWaalsContact O-CG 3.26Å; N363-Q367 WeakPolarHBondContact O-CG 3.3Å; N363-Q367 PolarHBondContact O-N 3.35Å; L364-Q367 CarbonylContact O-C 3.3Å; L364-Q367 WeakPolarHBondContact O-CA 3.45Å; L364-Q367 PolarHBondContact O-N 3.46Å; L364-Q367 VanDerWaalsContact O-O 3.04Å; F365-Q367 PolarHBondContact O-N 3.46Å; Q367-E369 PolarHBondContact O-N 3.39Å; Q367-E369 VanDerWaalsContact O-N 3.17Å; Q367-T370 WeakPolarHBondContact CB-OG1 3.48Å; Q367-T370 PolarHBondContact O-N 3.18Å; Q367-T370 PolarHBondContact OE1-OG1 2.79Å; Q367-I371 PolarHBondContact O-N 3.42Å
368	P	62.5	Low	70.2	Confident	34 Å²	34	79.2 Å²	79.2	22%	0.221	41%	0.406	C	S	.	.	H	α-helix	trans	-56.6	-34.2	178.2	22.5	-32.7	0	0	0	112.1	N366 I371 R372	N366-P368 VanDerWaalsContact O-CD 3.26Å; N366-P368 WeakPolarHBondContact O-CD 3.28Å; P368-I371 PolarHBondContact O-N 2.95Å; P368-R372 WeakPolarHBondContact O-CB 3.15Å; P368-R372 PolarHBondContact O-N 3.4Å
369	E	74.6	Confident	70.9	Confident	105 Å²	105	78.3 Å²	78.3	49%	0.491	41%	0.406	S	S	.	.	H	α-helix	trans	-70	-32.8	177.5	-62.8	-56.9	155.9	0	0	113.3	Q367 R372 N373	Q367-E369 PolarHBondContact O-N 3.39Å; Q367-E369 VanDerWaalsContact O-N 3.17Å; E369-R372 PolarHBondContact O-N 2.8Å; E369-N373 VanDerWaalsContact O-CB 3.27Å; E369-N373 WeakPolarHBondContact O-CB 3.49Å; E369-N373 VanDerWaalsContact O-CG 3.24Å; E369-N373 PolarHBondContact O-N 3.07Å; E369-N373 PolarHBondContact O-ND2 3.27Å
370	T	77.6	Confident	71	Confident	56 Å²	56	77.7 Å²	77.7	34%	0.344	39%	0.393	S	S	.	.	H	α-helix	trans	-69.2	-40.9	176.5	-50	0	0	0	0	110	L364 Q367 M374	L364-T370 HydrophobicContact CD2-CG2 3.95Å; Q367-T370 WeakPolarHBondContact CB-OG1 3.48Å; Q367-T370 PolarHBondContact O-N 3.18Å; Q367-T370 PolarHBondContact OE1-OG1 2.79Å; T370-M374 VanDerWaalsContact O-CB 3.29Å; T370-M374 WeakPolarHBondContact O-CB 3.44Å; T370-M374 PolarHBondContact O-N 2.92Å
371	I	70.5	Confident	70.8	Confident	19 Å²	19	71.9 Å²	71.9	10%	0.097	37%	0.369	C	S	.	.	H	α-helix	trans	-68.5	-42.7	174.2	-57.1	172.1	0	0	0	110.5	L364 F365 Q367 P368 N373 M374 L375 Y401	L364-I371 HydrophobicContact CB-CG1 4.5Å; L364-I371 HydrophobicContact CD2-CG1 3.65Å; L364-I371 VanDerWaalsContact O-CD1 3.27Å; L364-I371 WeakPolarHBondContact O-CD1 3.01Å; L364-I371 WeakPolarHBondContact O-CG1 3.25Å; F365-I371 HydrophobicContact CD1-CD1 3.95Å; F365-I371 HydrophobicContact CE1-CD1 4.49Å; Q367-I371 PolarHBondContact O-N 3.42Å; P368-I371 PolarHBondContact O-N 2.95Å; I371-N373 VanDerWaalsContact C-N 3.34Å; I371-N373 PolarHBondContact O-N 3.37Å; I371-M374 CarbonylContact O-C 3.59Å; I371-M374 PolarHBondContact O-N 3.06Å; I371-M374 VanDerWaalsContact O-N 3.13Å; I371-L375 VanDerWaalsContact O-CB 3.29Å; I371-L375 WeakPolarHBondContact O-CB 3.48Å; I371-L375 PolarHBondContact O-N 2.89Å; I371-Y401 HydrophobicContact CD1-CE1 4.42Å; I371-Y401 WeakPolarHBondContact CD1-OH 3.32Å; I371-Y401 WeakPolarHBondContact CG2-OH 3.46Å
372	R	71.4	Confident	71.5	Confident	82 Å²	82	73.7 Å²	73.7	31%	0.309	38%	0.377	S	S	.	.	H	α-helix	trans	-59.1	-44.5	175.8	-169.3	-175.7	-176.2	-169.9	3	111.6	P368 E369 L375 L376 N396	P368-R372 WeakPolarHBondContact O-CB 3.15Å; P368-R372 PolarHBondContact O-N 3.4Å; E369-R372 PolarHBondContact O-N 2.8Å; R372-L375 PolarHBondContact O-N 3Å; R372-L376 HydrophobicContact CG-CD1 3.77Å; R372-L376 HydrophobicContact CG-CG 4.24Å; R372-L376 WeakPolarHBondContact O-CB 3.41Å; R372-L376 WeakPolarHBondContact O-CG 3.05Å; R372-L376 PolarHBondContact O-N 2.98Å; R372-N396 PolarHBondContact NH2-OD1 3.36Å
373	N	78.1	Confident	72	Confident	106 Å²	106	75 Å²	75	57%	0.567	38%	0.382	S	S	*	.	H	α-helix	trans	-66	-37.5	175.2	-74.4	-23.4	0	0	0	111.8	E369 I371 S377	E369-N373 VanDerWaalsContact O-CB 3.27Å; E369-N373 WeakPolarHBondContact O-CB 3.49Å; E369-N373 VanDerWaalsContact O-CG 3.24Å; E369-N373 PolarHBondContact O-N 3.07Å; E369-N373 PolarHBondContact O-ND2 3.27Å; I371-N373 VanDerWaalsContact C-N 3.34Å; I371-N373 PolarHBondContact O-N 3.37Å; N373-S377 WeakPolarHBondContact O-CA 3.39Å; N373-S377 WeakPolarHBondContact O-CB 3.18Å; N373-S377 PolarHBondContact O-N 2.87Å; N373-S377 PolarHBondContact O-OG 3.05Å; N373-S377 VanDerWaalsContact O-OG 3.13Å
374	M	69.6	Low	71.6	Confident	103 Å²	103	72.9 Å²	72.9	51%	0.507	37%	0.37	S	S	.	.	H	α-helix	trans	-67.2	-42.5	174.9	-173.5	177.2	-73.7	0	0	111.6	L364 T370 I371 S377 N378	L364-M374 HydrophobicContact CD2-CE 4.25Å; T370-M374 VanDerWaalsContact O-CB 3.29Å; T370-M374 WeakPolarHBondContact O-CB 3.44Å; T370-M374 PolarHBondContact O-N 2.92Å; I371-M374 CarbonylContact O-C 3.59Å; I371-M374 PolarHBondContact O-N 3.06Å; I371-M374 VanDerWaalsContact O-N 3.13Å; M374-S377 WeakPolarHBondContact CA-OG 3.26Å; M374-S377 PolarHBondContact O-N 2.95Å; M374-S377 PolarHBondContact O-OG 3.49Å; M374-N378 PolarHBondContact O-N 3.08Å; M374-N378 VanDerWaalsContact O-N 3.14Å
375	L	69.8	Low	71.9	Confident	55 Å²	55	73.6 Å²	73.6	29%	0.288	37%	0.373	S	S	.	.	H	α-helix	trans	-69.6	-47	-179.9	-136.6	72.1	0	0	0	110.3	I371 R372 S377 N378 V381 L395	I371-L375 VanDerWaalsContact O-CB 3.29Å; I371-L375 WeakPolarHBondContact O-CB 3.48Å; I371-L375 PolarHBondContact O-N 2.89Å; R372-L375 PolarHBondContact O-N 3Å; L375-S377 VanDerWaalsContact C-N 3.26Å; L375-S377 PolarHBondContact O-N 3.46Å; L375-N378 WeakPolarHBondContact O-CB 3.41Å; L375-N378 PolarHBondContact O-N 3.03Å; L375-V381 HydrophobicContact CB-CG1 4.29Å; L375-V381 HydrophobicContact CD1-CG2 4.09Å; L375-V381 HydrophobicContact CD2-CG1 4.02Å; L375-V381 HydrophobicContact CG-CB 4.26Å; L375-V381 HydrophobicContact CG-CG1 3.69Å; L375-V381 HydrophobicContact CG-CG2 3.76Å; L375-V381 WeakPolarHBondContact O-CB 3.45Å; L375-V381 WeakPolarHBondContact O-CG1 3.45Å; L375-L395 HydrophobicContact CD2-CD1 3.72Å; L375-L395 HydrophobicContact CD2-CD2 3.21Å; L375-L395 HydrophobicContact CD2-CG 4.09Å
376	L	76.8	Confident	72.3	Confident	60 Å²	60	77.5 Å²	77.5	31%	0.314	39%	0.393	S	S	.	.	H	α-helix	trans	-67.4	-26.2	173.8	-66.8	175.8	0	0	0	112.2	R372 N378 Q382 I385	R372-L376 HydrophobicContact CG-CD1 3.77Å; R372-L376 HydrophobicContact CG-CG 4.24Å; R372-L376 WeakPolarHBondContact O-CB 3.41Å; R372-L376 WeakPolarHBondContact O-CG 3.05Å; R372-L376 PolarHBondContact O-N 2.98Å; L376-N378 PolarHBondContact O-N 3.32Å; L376-Q382 PolarHBondContact O-NE2 3.15Å; L376-I385 HydrophobicContact CD2-CD1 3.73Å
377	S	79.9	Confident	72.2	Confident	86 Å²	86	76.7 Å²	76.7	60%	0.601	39%	0.385	S	S	*	.	H	α-helix	trans	-74.5	-16	172.1	73.8	0	0	0	0	113.2	N373 M374 L375 P379	N373-S377 WeakPolarHBondContact O-CA 3.39Å; N373-S377 WeakPolarHBondContact O-CB 3.18Å; N373-S377 PolarHBondContact O-N 2.87Å; N373-S377 PolarHBondContact O-OG 3.05Å; N373-S377 VanDerWaalsContact O-OG 3.13Å; M374-S377 WeakPolarHBondContact CA-OG 3.26Å; M374-S377 PolarHBondContact O-N 2.95Å; M374-S377 PolarHBondContact O-OG 3.49Å; L375-S377 VanDerWaalsContact C-N 3.26Å; L375-S377 PolarHBondContact O-N 3.46Å; S377-P379 VanDerWaalsContact O-CD 3.3Å; S377-P379 WeakPolarHBondContact O-CD 3.45Å
378	N	66.7	Low	71.1	Confident	57 Å²	57	73.2 Å²	73.2	31%	0.305	37%	0.37	S	S	.	.			trans	-85.7	112.9	179.7	-165.2	-21.3	0	0	0	109.7	M374 L375 L376 Q380 V381 Q382	M374-N378 PolarHBondContact O-N 3.08Å; M374-N378 VanDerWaalsContact O-N 3.14Å; L375-N378 WeakPolarHBondContact O-CB 3.41Å; L375-N378 PolarHBondContact O-N 3.03Å; L376-N378 PolarHBondContact O-N 3.32Å; N378-Q380 PolarHBondContact O-N 2.86Å; N378-Q380 WeakPolarHBondContact OD1-CB 3.33Å; N378-Q380 WeakPolarHBondContact OD1-CG 3.39Å; N378-Q380 PolarHBondContact OD1-N 2.98Å; N378-V381 HydrophobicContact CB-CB 4.36Å; N378-V381 HydrophobicContact CB-CG2 3.9Å; N378-V381 PolarHBondContact O-N 3.16Å; N378-Q382 PolarHBondContact O-N 2.86Å
379	P	75.5	Confident	71.6	Confident	73 Å²	73	76.2 Å²	76.2	47%	0.474	39%	0.389	S	S	.	.	H	α-helix	trans	-60.8	-21	-179	24.2	-34	0	0	0	112.8	S377 R383	S377-P379 VanDerWaalsContact O-CD 3.3Å; S377-P379 WeakPolarHBondContact O-CD 3.45Å; P379-R383 WeakPolarHBondContact O-CG 3.2Å; P379-R383 PolarHBondContact O-N 3.45Å
380	Q	68.7	Low	71.4	Confident	77 Å²	77	76.3 Å²	76.3	36%	0.36	39%	0.393	S	S	.	.	H	α-helix	trans	-67.5	-42.7	173.8	-59.7	-173.5	-51.8	0	0	111.7	N378 R383 I384	N378-Q380 PolarHBondContact O-N 2.86Å; N378-Q380 WeakPolarHBondContact OD1-CB 3.33Å; N378-Q380 WeakPolarHBondContact OD1-CG 3.39Å; N378-Q380 PolarHBondContact OD1-N 2.98Å; Q380-R383 PolarHBondContact O-N 3.25Å; Q380-I384 VanDerWaalsContact O-CG1 3.31Å; Q380-I384 WeakPolarHBondContact O-CG1 3.41Å; Q380-I384 PolarHBondContact O-N 3.01Å; Q380-I384 VanDerWaalsContact O-N 3.14Å
381	V	71.6	Confident	70.7	Confident	22 Å²	22	75.4 Å²	75.4	13%	0.133	39%	0.386	C	S	.	.	H	α-helix	trans	-70.7	-37.2	179.9	174.8	0	0	0	0	109.7	L375 N378 R383 I384 I385 L395	L375-V381 HydrophobicContact CB-CG1 4.29Å; L375-V381 HydrophobicContact CD1-CG2 4.09Å; L375-V381 HydrophobicContact CD2-CG1 4.02Å; L375-V381 HydrophobicContact CG-CB 4.26Å; L375-V381 HydrophobicContact CG-CG1 3.69Å; L375-V381 HydrophobicContact CG-CG2 3.76Å; L375-V381 WeakPolarHBondContact O-CB 3.45Å; L375-V381 WeakPolarHBondContact O-CG1 3.45Å; N378-V381 HydrophobicContact CB-CB 4.36Å; N378-V381 HydrophobicContact CB-CG2 3.9Å; N378-V381 PolarHBondContact O-N 3.16Å; V381-R383 VanDerWaalsContact C-N 3.3Å; V381-R383 PolarHBondContact O-N 3.48Å; V381-I384 CarbonylContact O-C 3.56Å; V381-I384 PolarHBondContact O-N 3.43Å; V381-I385 HydrophobicContact CG1-CD1 3.75Å; V381-I385 HydrophobicContact CG1-CG1 4.1Å; V381-I385 VanDerWaalsContact O-CG1 3.31Å; V381-I385 WeakPolarHBondContact O-CG1 3.27Å; V381-I385 PolarHBondContact O-N 2.96Å; V381-L395 HydrophobicContact CG1-CD1 4.08Å
382	Q	74.7	Confident	70.7	Confident	93 Å²	93	74.9 Å²	74.9	44%	0.435	39%	0.385	S	S	.	.	H	α-helix	trans	-58	-43.6	174.6	-68.4	-176.9	-6.4	0	0	111.5	L376 N378 I384 I385 E386	L376-Q382 PolarHBondContact O-NE2 3.15Å; N378-Q382 PolarHBondContact O-N 2.86Å; Q382-I384 VanDerWaalsContact C-N 3.3Å; Q382-I384 PolarHBondContact O-N 3.1Å; Q382-I385 PolarHBondContact O-N 2.75Å; Q382-E386 WeakPolarHBondContact O-CB 3.24Å; Q382-E386 VanDerWaalsContact O-CG 3.24Å; Q382-E386 WeakPolarHBondContact O-CG 3.24Å; Q382-E386 PolarHBondContact O-N 3.26Å
383	R	75.8	Confident	70.7	Confident	139 Å²	139	77 Å²	77	53%	0.525	40%	0.397	S	S	.	.	H	α-helix	trans	-63.9	-35.5	174.3	-67.1	-179.4	-159.7	149.7	6.3	112.8	P379 Q380 V381 E386 Q387	P379-R383 WeakPolarHBondContact O-CG 3.2Å; P379-R383 PolarHBondContact O-N 3.45Å; Q380-R383 PolarHBondContact O-N 3.25Å; V381-R383 VanDerWaalsContact C-N 3.3Å; V381-R383 PolarHBondContact O-N 3.48Å; R383-E386 PolarHBondContact O-N 2.92Å; R383-Q387 WeakPolarHBondContact O-CB 3.43Å; R383-Q387 WeakPolarHBondContact O-CG 3.46Å; R383-Q387 PolarHBondContact O-N 2.92Å
384	I	63.2	Low	70	Confident	56 Å²	56	72.7 Å²	72.7	29%	0.287	37%	0.374	S	S	.	.	H	α-helix	trans	-71.9	-38.1	178	-65.2	164.9	0	0	0	110.9	Q380 V381 Q382 E386 Q387 N388 L391	Q380-I384 VanDerWaalsContact O-CG1 3.31Å; Q380-I384 WeakPolarHBondContact O-CG1 3.41Å; Q380-I384 PolarHBondContact O-N 3.01Å; Q380-I384 VanDerWaalsContact O-N 3.14Å; V381-I384 CarbonylContact O-C 3.56Å; V381-I384 PolarHBondContact O-N 3.43Å; Q382-I384 VanDerWaalsContact C-N 3.3Å; Q382-I384 PolarHBondContact O-N 3.1Å; I384-E386 VanDerWaalsContact C-N 3.33Å; I384-Q387 PolarHBondContact O-N 3.48Å; I384-N388 PolarHBondContact O-N 3.14Å; I384-L391 HydrophobicContact CG2-CD1 3.42Å; I384-L391 VanDerWaalsContact CG2-CD1 3.42Å; I384-L391 HydrophobicContact CG2-CG 4.48Å
385	I	72	Confident	69.8	Low	38 Å²	38	68.8 Å²	68.8	20%	0.195	36%	0.355	C	S	.	.	H	α-helix	trans	-66	-38.2	173.1	-67.1	167.8	0	0	0	110.4	L376 V381 Q382 Q387 N388 L395	L376-I385 HydrophobicContact CD2-CD1 3.73Å; V381-I385 HydrophobicContact CG1-CD1 3.75Å; V381-I385 HydrophobicContact CG1-CG1 4.1Å; V381-I385 VanDerWaalsContact O-CG1 3.31Å; V381-I385 WeakPolarHBondContact O-CG1 3.27Å; V381-I385 PolarHBondContact O-N 2.96Å; Q382-I385 PolarHBondContact O-N 2.75Å; I385-Q387 VanDerWaalsContact C-N 3.31Å; I385-N388 CarbonylContact O-C 3.56Å; I385-N388 VanDerWaalsContact O-C 3.3Å; I385-N388 VanDerWaalsContact O-O 3.13Å; I385-L395 HydrophobicContact CD1-CD1 3.51Å; I385-L395 HydrophobicContact CG1-CD1 3.8Å
386	E	73.3	Confident	70	Confident	152 Å²	152	70.5 Å²	70.5	71%	0.71	36%	0.364	S	S	*	.	H	α-helix	trans	-66	-34.6	174.2	-74.5	169.9	-176.1	0	0	112	Q382 R383 I384	Q382-E386 WeakPolarHBondContact O-CB 3.24Å; Q382-E386 VanDerWaalsContact O-CG 3.24Å; Q382-E386 WeakPolarHBondContact O-CG 3.24Å; Q382-E386 PolarHBondContact O-N 3.26Å; R383-E386 PolarHBondContact O-N 2.92Å; I384-E386 VanDerWaalsContact C-N 3.33Å
387	Q	71	Confident	69.6	Low	96 Å²	96	70.5 Å²	70.5	45%	0.449	37%	0.365	S	S	.	.	H	α-helix	trans	-82.6	-27.8	178.7	-74.2	171	-0.8	0	0	113.5	R383 I384 I385	R383-Q387 WeakPolarHBondContact O-CB 3.43Å; R383-Q387 WeakPolarHBondContact O-CG 3.46Å; R383-Q387 PolarHBondContact O-N 2.92Å; I384-Q387 PolarHBondContact O-N 3.48Å; I385-Q387 VanDerWaalsContact C-N 3.31Å
388	N	50.8	Low	68.9	Low	28 Å²	28	69.6 Å²	69.6	15%	0.15	36%	0.357	C	S	.	.			trans	-131.9	95.8	179.4	-81.3	-58.3	0	0	0	109.6	M327 I384 I385 D390 L391 G392	M327-N388 HydrophobicContact CE-CB 3.43Å; M327-N388 VanDerWaalsContact CE-CB 3.43Å; M327-N388 WeakPolarHBondContact CE-OD1 3.28Å; I384-N388 PolarHBondContact O-N 3.14Å; I385-N388 CarbonylContact O-C 3.56Å; I385-N388 VanDerWaalsContact O-C 3.3Å; I385-N388 VanDerWaalsContact O-O 3.13Å; N388-D390 PolarHBondContact O-N 2.58Å; N388-D390 VanDerWaalsContact O-N 3.13Å; N388-L391 HydrophobicContact CB-CB 4.06Å; N388-L391 HydrophobicContact CB-CD1 4.14Å; N388-L391 WeakPolarHBondContact O-CB 3.4Å; N388-L391 PolarHBondContact O-N 3.44Å; N388-G392 PolarHBondContact O-N 3.47Å
389	P	72.6	Confident	69.2	Low	98 Å²	98	72.6 Å²	72.6	64%	0.636	37%	0.369	S	S	*	.	H	α-helix	trans	-58.1	-27.9	177.2	22.7	-32.4	0	0	0	112.4	L391 G392 F393	P389-L391 VanDerWaalsContact C-N 3.31Å; P389-L391 PolarHBondContact O-N 2.81Å; P389-G392 WeakPolarHBondContact O-CA 3.38Å; P389-G392 PolarHBondContact O-N 2.88Å; P389-F393 PolarHBondContact O-N 3.48Å
390	D	70.4	Confident	69	Low	107 Å²	107	70.6 Å²	70.6	57%	0.572	35%	0.354	S	S	*	.	H	α-helix	trans	-64.1	-33.1	175.5	-61.5	-17.9	0	0	0	112.7	M327 N388 G392 F393 L394	M327-D390 HydrophobicContact SD-CB 3.64Å; N388-D390 PolarHBondContact O-N 2.58Å; N388-D390 VanDerWaalsContact O-N 3.13Å; D390-G392 VanDerWaalsContact C-N 3.3Å; D390-F393 WeakPolarHBondContact O-CB 3.38Å; D390-F393 PolarHBondContact O-N 3.05Å; D390-F393 VanDerWaalsContact O-N 3.17Å; D390-L394 PolarHBondContact O-N 2.71Å
391	L	62.8	Low	69	Low	36 Å²	36	68.4 Å²	68.4	19%	0.188	34%	0.343	C	S	.	.	H	α-helix	trans	-68.8	-33.5	172.9	-108	154	0	0	0	111.1	M327 I384 N388 P389 F393 L394 L395	M327-L391 HydrophobicContact CB-CD1 4.5Å; M327-L391 HydrophobicContact CE-CD1 3.72Å; M327-L391 HydrophobicContact CE-CG 4.1Å; M327-L391 HydrophobicContact SD-CB 4.27Å; M327-L391 HydrophobicContact SD-CD1 4.08Å; M327-L391 HydrophobicContact SD-CG 3.8Å; I384-L391 HydrophobicContact CG2-CD1 3.42Å; I384-L391 VanDerWaalsContact CG2-CD1 3.42Å; I384-L391 HydrophobicContact CG2-CG 4.48Å; N388-L391 HydrophobicContact CB-CB 4.06Å; N388-L391 HydrophobicContact CB-CD1 4.14Å; N388-L391 WeakPolarHBondContact O-CB 3.4Å; N388-L391 PolarHBondContact O-N 3.44Å; P389-L391 VanDerWaalsContact C-N 3.31Å; P389-L391 PolarHBondContact O-N 2.81Å; L391-F393 VanDerWaalsContact C-N 3.35Å; L391-L394 PolarHBondContact O-N 2.98Å; L391-L395 WeakPolarHBondContact O-CB 3.43Å; L391-L395 VanDerWaalsContact O-CG 3.23Å; L391-L395 WeakPolarHBondContact O-CG 3.49Å; L391-L395 PolarHBondContact O-N 2.88Å
392	G	69.1	Low	69	Low	8 Å²	8	73.3 Å²	73.3	8%	0.082	36%	0.359	C	S	.	.	H	α-helix	trans	-60.5	-43.6	168	0	0	0	0	0	112.1	N388 P389 D390 L395 N396	N388-G392 PolarHBondContact O-N 3.47Å; P389-G392 WeakPolarHBondContact O-CA 3.38Å; P389-G392 PolarHBondContact O-N 2.88Å; D390-G392 VanDerWaalsContact C-N 3.3Å; G392-L395 PolarHBondContact O-N 2.91Å; G392-N396 VanDerWaalsContact O-CB 3.3Å; G392-N396 WeakPolarHBondContact O-CB 3.35Å; G392-N396 PolarHBondContact O-N 3.42Å; G392-N396 PolarHBondContact O-ND2 3.24Å
393	F	72	Confident	68.9	Low	128 Å²	128	74.7 Å²	74.7	56%	0.561	37%	0.365	S	S	*	.	H	α-helix	trans	-63.2	-42.2	175.7	179	-101.3	0	0	0	112.3	P389 D390 L391 L395 N396 N397 L400	P389-F393 PolarHBondContact O-N 3.48Å; D390-F393 WeakPolarHBondContact O-CB 3.38Å; D390-F393 PolarHBondContact O-N 3.05Å; D390-F393 VanDerWaalsContact O-N 3.17Å; L391-F393 VanDerWaalsContact C-N 3.35Å; F393-L395 VanDerWaalsContact C-N 3.29Å; F393-L395 PolarHBondContact O-N 3.39Å; F393-N396 PolarHBondContact O-N 3.07Å; F393-N397 WeakPolarHBondContact CE1-ND2 3.34Å; F393-N397 WeakPolarHBondContact CE2-ND2 3.27Å; F393-N397 WeakPolarHBondContact CZ-ND2 3.46Å; F393-N397 WeakPolarHBondContact O-CB 3.37Å; F393-N397 PolarHBondContact O-N 2.9Å; F393-L400 HydrophobicContact CE1-CD2 4.47Å
394	L	64.2	Low	68.5	Low	15 Å²	15	69.6 Å²	69.6	8%	0.079	35%	0.349	C	S	.	.	H	α-helix	trans	-61.5	-38.4	177.2	-147.7	164	0	0	0	111.8	P324 D390 L391 L400	P324-L394 HydrophobicContact CB-CD1 3.39Å; P324-L394 HydrophobicContact CB-CG 4.07Å; D390-L394 PolarHBondContact O-N 2.71Å; L391-L394 PolarHBondContact O-N 2.98Å; L394-L400 HydrophobicContact CB-CD2 4.41Å; L394-L400 HydrophobicContact CD2-CG 4.42Å; L394-L400 HydrophobicContact CG-CD2 3.79Å; L394-L400 HydrophobicContact CG-CG 4.21Å
395	L	65.7	Low	68.6	Low	20 Å²	20	69.7 Å²	69.7	11%	0.105	35%	0.349	C	S	.	.	H	α-helix	trans	-81.1	-19.1	177.9	-64.8	173.1	0	0	0	114.2	L375 V381 I385 L391 G392 F393 Y401	L375-L395 HydrophobicContact CD2-CD1 3.72Å; L375-L395 HydrophobicContact CD2-CD2 3.21Å; L375-L395 HydrophobicContact CD2-CG 4.09Å; V381-L395 HydrophobicContact CG1-CD1 4.08Å; I385-L395 HydrophobicContact CD1-CD1 3.51Å; I385-L395 HydrophobicContact CG1-CD1 3.8Å; L391-L395 WeakPolarHBondContact O-CB 3.43Å; L391-L395 VanDerWaalsContact O-CG 3.23Å; L391-L395 WeakPolarHBondContact O-CG 3.49Å; L391-L395 PolarHBondContact O-N 2.88Å; G392-L395 PolarHBondContact O-N 2.91Å; F393-L395 VanDerWaalsContact C-N 3.29Å; F393-L395 PolarHBondContact O-N 3.39Å; L395-Y401 HydrophobicContact CD2-CD2 4.4Å
396	N	73.2	Confident	68.6	Low	92 Å²	92	72.5 Å²	72.5	49%	0.492	37%	0.365	S	S	.	.	H	α-helix	trans	-88.9	-19.3	174.5	-70.3	-30.2	0	0	0	112.6	R372 G392 F393 P398	R372-N396 PolarHBondContact NH2-OD1 3.36Å; G392-N396 VanDerWaalsContact O-CB 3.3Å; G392-N396 WeakPolarHBondContact O-CB 3.35Å; G392-N396 PolarHBondContact O-N 3.42Å; G392-N396 PolarHBondContact O-ND2 3.24Å; F393-N396 PolarHBondContact O-N 3.07Å; N396-P398 VanDerWaalsContact O-CD 3.23Å; N396-P398 WeakPolarHBondContact O-CD 3.41Å
397	N	68.5	Low	68.5	Low	59 Å²	59	67.2 Å²	67.2	32%	0.316	34%	0.341	S	S	.	.			trans	-93.5	103.6	175.3	-91.7	-30.3	0	0	0	112	F393 E399 L400 Y401	F393-N397 WeakPolarHBondContact CE1-ND2 3.34Å; F393-N397 WeakPolarHBondContact CE2-ND2 3.27Å; F393-N397 WeakPolarHBondContact CZ-ND2 3.46Å; F393-N397 WeakPolarHBondContact O-CB 3.37Å; F393-N397 PolarHBondContact O-N 2.9Å; N397-E399 PolarHBondContact O-N 3.45Å; N397-L400 HydrophobicContact CB-CB 3.86Å; N397-L400 PolarHBondContact O-N 2.94Å; N397-Y401 PolarHBondContact O-N 2.84Å; N397-Y401 VanDerWaalsContact O-N 3.08Å
398	P	64.6	Low	68.3	Low	67 Å²	67	65.3 Å²	65.3	44%	0.435	34%	0.336	S	S	.	.	H	α-helix	trans	-63.3	-31	-179.5	25.4	-33.9	0	0	0	112.6	N396 R402	N396-P398 VanDerWaalsContact O-CD 3.23Å; N396-P398 WeakPolarHBondContact O-CD 3.41Å; P398-R402 WeakPolarHBondContact O-CB 3.23Å; P398-R402 WeakPolarHBondContact O-CG 3.19Å; P398-R402 PolarHBondContact O-N 3.42Å
399	E	74.2	Confident	69	Low	120 Å²	120	71.6 Å²	71.6	56%	0.561	36%	0.358	S	S	*	.	H	α-helix	trans	-73.8	-42	179.8	-65.7	-54.6	131	0	0	112.2	N397 Y401 R402 E403	N397-E399 PolarHBondContact O-N 3.45Å; E399-Y401 VanDerWaalsContact C-N 3.34Å; E399-Y401 PolarHBondContact O-N 3.38Å; E399-R402 WeakPolarHBondContact O-CB 3.34Å; E399-R402 PolarHBondContact O-N 2.74Å; E399-R402 IonicContact OE1-CZ 3.95Å; E399-R402 IonicContact OE1-NH1 2.89Å; E399-R402 PolarHBondContact OE1-NH1 2.78Å; E399-E403 WeakPolarHBondContact O-CB 3.41Å; E399-E403 PolarHBondContact O-N 3.3Å
400	L	70	Confident	68.9	Low	32 Å²	32	70.7 Å²	70.7	17%	0.168	35%	0.348	C	S	.	.	H	α-helix	trans	-67.8	-38.4	177.5	-170.6	63.7	0	0	0	111.2	P324 F393 L394 N397 E403 T404	P324-L400 HydrophobicContact CB-CD2 4.03Å; P324-L400 HydrophobicContact CG-CD1 3.92Å; P324-L400 HydrophobicContact CG-CD2 3.98Å; P324-L400 HydrophobicContact CG-CG 4.36Å; F393-L400 HydrophobicContact CE1-CD2 4.47Å; L394-L400 HydrophobicContact CB-CD2 4.41Å; L394-L400 HydrophobicContact CD2-CG 4.42Å; L394-L400 HydrophobicContact CG-CD2 3.79Å; L394-L400 HydrophobicContact CG-CG 4.21Å; N397-L400 HydrophobicContact CB-CB 3.86Å; N397-L400 PolarHBondContact O-N 2.94Å; L400-E403 PolarHBondContact O-N 3.19Å; L400-T404 WeakPolarHBondContact O-CB 3.31Å; L400-T404 PolarHBondContact O-N 3.44Å; L400-T404 PolarHBondContact O-OG1 3.5Å
401	Y	69.7	Low	69	Low	31 Å²	31	68.7 Å²	68.7	12%	0.122	34%	0.34	C	S	.	.	H	α-helix	trans	-63.3	-41.9	172.1	-177.2	-95	0	0	0	111.8	I371 L395 N397 E399 T404 M405	I371-Y401 HydrophobicContact CD1-CE1 4.42Å; I371-Y401 WeakPolarHBondContact CD1-OH 3.32Å; I371-Y401 WeakPolarHBondContact CG2-OH 3.46Å; L395-Y401 HydrophobicContact CD2-CD2 4.4Å; N397-Y401 PolarHBondContact O-N 2.84Å; N397-Y401 VanDerWaalsContact O-N 3.08Å; E399-Y401 VanDerWaalsContact C-N 3.34Å; E399-Y401 PolarHBondContact O-N 3.38Å; Y401-T404 PolarHBondContact O-N 3.33Å; Y401-M405 HydrophobicContact CD1-CG 4.06Å; Y401-M405 HydrophobicContact CE1-CE 4.35Å; Y401-M405 HydrophobicContact CE1-CG 3.61Å; Y401-M405 HydrophobicContact CE2-CE 3.76Å; Y401-M405 HydrophobicContact CE2-CG 4.19Å; Y401-M405 VanDerWaalsContact CZ-CE 3.47Å; Y401-M405 VanDerWaalsContact O-CB 3.23Å; Y401-M405 WeakPolarHBondContact O-CB 3.32Å; Y401-M405 VanDerWaalsContact O-CG 3.3Å; Y401-M405 WeakPolarHBondContact O-CG 2.9Å; Y401-M405 PolarHBondContact O-N 2.89Å; Y401-M405 WeakPolarHBondContact OH-CE 3.06Å
402	R	72.2	Confident	69.7	Low	125 Å²	125	69.8 Å²	69.8	47%	0.472	36%	0.355	S	S	.	.	H	α-helix	trans	-62.5	-42.9	174.1	-81.8	172.6	171.7	170.3	-2.7	112.2	P398 E399 M405 N406	P398-R402 WeakPolarHBondContact O-CB 3.23Å; P398-R402 WeakPolarHBondContact O-CG 3.19Å; P398-R402 PolarHBondContact O-N 3.42Å; E399-R402 WeakPolarHBondContact O-CB 3.34Å; E399-R402 PolarHBondContact O-N 2.74Å; E399-R402 IonicContact OE1-CZ 3.95Å; E399-R402 IonicContact OE1-NH1 2.89Å; E399-R402 PolarHBondContact OE1-NH1 2.78Å; R402-M405 PolarHBondContact O-N 3Å; R402-N406 VanDerWaalsContact O-CB 3.27Å; R402-N406 WeakPolarHBondContact O-CB 3.22Å; R402-N406 PolarHBondContact O-N 2.81Å; R402-N406 PolarHBondContact O-ND2 3.36Å; R402-N406 VanDerWaalsContact O-ND2 3.14Å
403	E	71.7	Confident	70	Confident	122 Å²	122	70.7 Å²	70.7	57%	0.57	36%	0.361	S	S	*	.	H	α-helix	trans	-64.6	-47.7	177.4	-174.1	168.5	-164.9	0	0	111.2	E399 L400 M405 N406 L407	E399-E403 WeakPolarHBondContact O-CB 3.41Å; E399-E403 PolarHBondContact O-N 3.3Å; L400-E403 PolarHBondContact O-N 3.19Å; E403-M405 VanDerWaalsContact C-N 3.32Å; E403-M405 PolarHBondContact O-N 3.22Å; E403-N406 PolarHBondContact O-N 2.85Å; E403-N406 VanDerWaalsContact O-N 3.15Å; E403-L407 WeakPolarHBondContact O-CB 3.43Å; E403-L407 PolarHBondContact O-N 3.2Å
404	T	68.2	Low	69.8	Low	31 Å²	31	65.9 Å²	65.9	19%	0.19	34%	0.34	C	S	.	.	H	α-helix	trans	-58.6	-44.8	175	-51.1	0	0	0	0	110.7	I328 L400 Y401 L407 V408	I328-T404 HydrophobicContact CD1-CG2 4.15Å; L400-T404 WeakPolarHBondContact O-CB 3.31Å; L400-T404 PolarHBondContact O-N 3.44Å; L400-T404 PolarHBondContact O-OG1 3.5Å; Y401-T404 PolarHBondContact O-N 3.33Å; T404-L407 PolarHBondContact O-N 3.48Å; T404-V408 WeakPolarHBondContact O-CG2 3.43Å; T404-V408 PolarHBondContact O-N 2.75Å
405	M	65.5	Low	70.4	Confident	58 Å²	58	70.8 Å²	70.8	29%	0.286	36%	0.363	S	S	.	.	H	α-helix	trans	-67.6	-34.6	176.9	-79.2	-66.5	168.9	0	0	113.1	F365 Y401 R402 E403 L407 V408 R409	F365-M405 HydrophobicContact CD1-SD 3.97Å; F365-M405 HydrophobicContact CE1-CE 4.24Å; F365-M405 HydrophobicContact CE1-SD 3.72Å; Y401-M405 HydrophobicContact CD1-CG 4.06Å; Y401-M405 HydrophobicContact CE1-CE 4.35Å; Y401-M405 HydrophobicContact CE1-CG 3.61Å; Y401-M405 HydrophobicContact CE2-CE 3.76Å; Y401-M405 HydrophobicContact CE2-CG 4.19Å; Y401-M405 VanDerWaalsContact CZ-CE 3.47Å; Y401-M405 VanDerWaalsContact O-CB 3.23Å; Y401-M405 WeakPolarHBondContact O-CB 3.32Å; Y401-M405 VanDerWaalsContact O-CG 3.3Å; Y401-M405 WeakPolarHBondContact O-CG 2.9Å; Y401-M405 PolarHBondContact O-N 2.89Å; Y401-M405 WeakPolarHBondContact OH-CE 3.06Å; R402-M405 PolarHBondContact O-N 3Å; E403-M405 VanDerWaalsContact C-N 3.32Å; E403-M405 PolarHBondContact O-N 3.22Å; M405-L407 VanDerWaalsContact C-N 3.33Å; M405-V408 PolarHBondContact O-N 3.29Å; M405-R409 WeakPolarHBondContact O-CB 3.41Å; M405-R409 PolarHBondContact O-N 3.46Å
406	N	71.5	Confident	70.9	Confident	97 Å²	97	76 Å²	76	52%	0.519	39%	0.386	S	S	.	.	H	α-helix	trans	-68.3	-34.9	173.7	-75.5	-28.5	0	0	0	111.6	R402 E403 R409 N410	R402-N406 VanDerWaalsContact O-CB 3.27Å; R402-N406 WeakPolarHBondContact O-CB 3.22Å; R402-N406 PolarHBondContact O-N 2.81Å; R402-N406 PolarHBondContact O-ND2 3.36Å; R402-N406 VanDerWaalsContact O-ND2 3.14Å; E403-N406 PolarHBondContact O-N 2.85Å; E403-N406 VanDerWaalsContact O-N 3.15Å; N406-R409 PolarHBondContact O-N 2.93Å; N406-N410 PolarHBondContact O-N 3.46Å
407	L	70.5	Confident	70.8	Confident	41 Å²	41	72.3 Å²	72.3	22%	0.215	37%	0.367	C	S	.	.	H	α-helix	trans	-70.8	-36.9	176.5	-147.6	143.9	0	0	0	111.3	F325 E403 T404 M405 R409 N410 A413 F414 L417	F325-L407 HydrophobicContact CE2-CD2 4.01Å; E403-L407 WeakPolarHBondContact O-CB 3.43Å; E403-L407 PolarHBondContact O-N 3.2Å; T404-L407 PolarHBondContact O-N 3.48Å; M405-L407 VanDerWaalsContact C-N 3.33Å; L407-R409 VanDerWaalsContact C-N 3.34Å; L407-N410 PolarHBondContact O-N 3.42Å; L407-N410 VanDerWaalsContact O-O 3.07Å; L407-A413 HydrophobicContact CG-CB 4.21Å; L407-F414 HydrophobicContact CD2-CB 4.27Å; L407-F414 HydrophobicContact CD2-CD2 4.35Å; L407-L417 HydrophobicContact CD1-CD1 3.71Å; L407-L417 HydrophobicContact CD2-CB 4.13Å; L407-L417 HydrophobicContact CD2-CD1 3.6Å; L407-L417 HydrophobicContact CG-CD1 4.31Å
408	V	66.2	Low	70.3	Confident	57 Å²	57	72.1 Å²	72.1	35%	0.345	37%	0.365	S	S	.	.	H	α-helix	trans	-64.9	-37.4	169.1	173.5	0	0	0	0	111.6	T404 M405 N410	T404-V408 WeakPolarHBondContact O-CG2 3.43Å; T404-V408 PolarHBondContact O-N 2.75Å; M405-V408 PolarHBondContact O-N 3.29Å; V408-N410 VanDerWaalsContact C-N 3.26Å; V408-N410 PolarHBondContact O-N 2.87Å
409	R	65.8	Low	70.8	Confident	159 Å²	159	77 Å²	77	60%	0.6	38%	0.375	S	S	*	.	H	α-helix	trans	-70	-22.8	178.2	-164.8	176	-176.2	-178.1	1.3	113.1	M405 N406 L407 P411	M405-R409 WeakPolarHBondContact O-CB 3.41Å; M405-R409 PolarHBondContact O-N 3.46Å; N406-R409 PolarHBondContact O-N 2.93Å; L407-R409 VanDerWaalsContact C-N 3.34Å; R409-P411 VanDerWaalsContact O-CD 3.25Å; R409-P411 WeakPolarHBondContact O-CD 3.38Å
410	N	71.2	Confident	70.9	Confident	80 Å²	80	74.2 Å²	74.2	43%	0.428	36%	0.363	S	S	.	.			trans	-105.8	94.1	179.5	-170.1	-1.7	0	0	0	110.7	N406 L407 V408 A412 A413 F414	N406-N410 PolarHBondContact O-N 3.46Å; L407-N410 PolarHBondContact O-N 3.42Å; L407-N410 VanDerWaalsContact O-O 3.07Å; V408-N410 VanDerWaalsContact C-N 3.26Å; V408-N410 PolarHBondContact O-N 2.87Å; N410-A412 PolarHBondContact O-N 3.44Å; N410-A412 VanDerWaalsContact O-N 3.11Å; N410-A412 PolarHBondContact OD1-N 2.98Å; N410-A413 HydrophobicContact CB-CB 3.84Å; N410-A413 PolarHBondContact O-N 3.47Å; N410-F414 PolarHBondContact O-N 3.31Å
411	P	72.4	Confident	70.8	Confident	64 Å²	64	75 Å²	75	42%	0.416	37%	0.366	S	S	.	.	H	α-helix	trans	-59.1	-29.2	-177.5	22.9	-33.2	0	0	0	112.8	R409 Q415	R409-P411 VanDerWaalsContact O-CD 3.25Å; R409-P411 WeakPolarHBondContact O-CD 3.38Å; P411-Q415 WeakPolarHBondContact O-CB 3.34Å; P411-Q415 VanDerWaalsContact O-CG 3.24Å; P411-Q415 WeakPolarHBondContact O-CG 3.49Å; P411-Q415 PolarHBondContact O-N 2.83Å
412	A	78.1	Confident	70.9	Confident	59 Å²	59	78.7 Å²	78.7	49%	0.488	39%	0.388	S	S	.	.	H	α-helix	trans	-70.1	-40.8	175.4	0	0	0	0	0	112.1	N410 Q415 E416	N410-A412 PolarHBondContact O-N 3.44Å; N410-A412 VanDerWaalsContact O-N 3.11Å; N410-A412 PolarHBondContact OD1-N 2.98Å; A412-Q415 PolarHBondContact O-N 3.39Å; A412-E416 WeakPolarHBondContact O-CB 3.49Å; A412-E416 PolarHBondContact O-N 3.28Å
413	A	74.1	Confident	71	Confident	27 Å²	27	79 Å²	79	22%	0.223	39%	0.389	C	S	.	.	H	α-helix	trans	-67.3	-38.8	176	0	0	0	0	0	111.5	L407 N410 E416 L417	L407-A413 HydrophobicContact CG-CB 4.21Å; N410-A413 HydrophobicContact CB-CB 3.84Å; N410-A413 PolarHBondContact O-N 3.47Å; A413-E416 PolarHBondContact O-N 3.37Å; A413-L417 VanDerWaalsContact O-CB 3.27Å; A413-L417 WeakPolarHBondContact O-CB 3.32Å; A413-L417 PolarHBondContact O-N 2.77Å
414	F	69.3	Low	71.1	Confident	28 Å²	28	76.1 Å²	76.1	12%	0.123	38%	0.377	C	S	.	.	H	α-helix	trans	-63.9	-42	173.3	-176.2	-95.4	0	0	0	112.2	F325 F333 L407 N410 L417 M418	F325-F414 HydrophobicContact CE2-CD2 4.33Å; F325-F414 HydrophobicContact CE2-CE2 4.31Å; F325-F414 AromaticContact CZ-CD2 3.93Å; F325-F414 HydrophobicContact CZ-CD2 3.93Å; F325-F414 AromaticContact CZ-CE2 3.64Å; F325-F414 HydrophobicContact CZ-CE2 3.64Å; F333-F414 HydrophobicContact CD1-CE1 4.01Å; F333-F414 AromaticContact CD1-CZ 3.8Å; F333-F414 HydrophobicContact CD1-CZ 3.8Å; F333-F414 HydrophobicContact CD2-CE2 4.33Å; F333-F414 HydrophobicContact CD2-CZ 4.02Å; F333-F414 HydrophobicContact CE1-CD1 4.38Å; F333-F414 AromaticContact CE1-CE1 3.71Å; F333-F414 HydrophobicContact CE1-CE1 3.71Å; F333-F414 HydrophobicContact CE1-CE2 4.2Å; F333-F414 AromaticContact CE1-CZ 3.6Å; F333-F414 HydrophobicContact CE1-CZ 3.6Å; F333-F414 AromaticContact CE2-CE2 3.82Å; F333-F414 HydrophobicContact CE2-CE2 3.82Å; F333-F414 AromaticContact CE2-CZ 3.85Å; F333-F414 HydrophobicContact CE2-CZ 3.85Å; F333-F414 AromaticContact CG-CZ 3.99Å; F333-F414 HydrophobicContact CG-CZ 3.99Å; F333-F414 HydrophobicContact CZ-CD2 4.31Å; F333-F414 HydrophobicContact CZ-CE1 4.09Å; F333-F414 AromaticContact CZ-CE2 3.74Å; F333-F414 HydrophobicContact CZ-CE2 3.74Å; F333-F414 AromaticContact CZ-CZ 3.63Å; F333-F414 HydrophobicContact CZ-CZ 3.63Å; L407-F414 HydrophobicContact CD2-CB 4.27Å; L407-F414 HydrophobicContact CD2-CD2 4.35Å; N410-F414 PolarHBondContact O-N 3.31Å; F414-L417 PolarHBondContact O-N 3.13Å; F414-M418 HydrophobicContact CD1-CG 4.01Å; F414-M418 HydrophobicContact CE1-CE 4.38Å; F414-M418 HydrophobicContact CE1-CG 3.67Å; F414-M418 HydrophobicContact CE1-SD 4.03Å; F414-M418 HydrophobicContact CZ-CE 3.92Å; F414-M418 HydrophobicContact CZ-CG 4.08Å; F414-M418 HydrophobicContact CZ-SD 4.18Å; F414-M418 VanDerWaalsContact O-CG 3.28Å; F414-M418 WeakPolarHBondContact O-CG 3.37Å; F414-M418 PolarHBondContact O-N 3.23Å
415	Q	75.8	Confident	71.4	Confident	117 Å²	117	76.1 Å²	76.1	55%	0.547	38%	0.377	S	S	.	.	H	α-helix	trans	-65.1	-39	174.7	-76.1	175.2	12.9	0	0	112.5	P411 A412 L417 M418 R419	P411-Q415 WeakPolarHBondContact O-CB 3.34Å; P411-Q415 VanDerWaalsContact O-CG 3.24Å; P411-Q415 WeakPolarHBondContact O-CG 3.49Å; P411-Q415 PolarHBondContact O-N 2.83Å; A412-Q415 PolarHBondContact O-N 3.39Å; Q415-L417 VanDerWaalsContact C-N 3.32Å; Q415-M418 PolarHBondContact O-N 2.92Å; Q415-R419 WeakPolarHBondContact O-CG 3.36Å; Q415-R419 PolarHBondContact O-N 3.14Å
416	E	75.6	Confident	71.8	Confident	129 Å²	129	76.5 Å²	76.5	60%	0.603	39%	0.385	S	S	*	.	H	α-helix	trans	-68.3	-36	176	-169.9	163.4	-159.1	0	0	111.3	A412 A413 R419 N420	A412-E416 WeakPolarHBondContact O-CB 3.49Å; A412-E416 PolarHBondContact O-N 3.28Å; A413-E416 PolarHBondContact O-N 3.37Å; E416-R419 WeakPolarHBondContact O-CB 3.42Å; E416-R419 PolarHBondContact O-N 2.89Å; E416-N420 PolarHBondContact O-N 2.87Å
417	L	71.2	Confident	72	Confident	15 Å²	15	75.5 Å²	75.5	8%	0.079	38%	0.38	C	S	.	.	H	α-helix	trans	-67.4	-46.2	172.5	-162.9	162	0	0	0	111.2	F322 F325 L407 A413 F414 Q415 R419 N420 H421	F322-L417 HydrophobicContact CE1-CG 4.36Å; F325-L417 HydrophobicContact CD1-CD1 4.28Å; F325-L417 HydrophobicContact CD1-CD2 3.26Å; F325-L417 HydrophobicContact CD1-CG 4.39Å; F325-L417 HydrophobicContact CD2-CD1 3.35Å; F325-L417 HydrophobicContact CD2-CD2 3.92Å; F325-L417 HydrophobicContact CD2-CG 4.27Å; F325-L417 HydrophobicContact CE1-CD1 4.3Å; F325-L417 HydrophobicContact CE1-CD2 3.07Å; F325-L417 HydrophobicContact CE1-CG 4.24Å; F325-L417 HydrophobicContact CE2-CD1 3.39Å; F325-L417 HydrophobicContact CE2-CD2 3.77Å; F325-L417 HydrophobicContact CE2-CG 4.12Å; F325-L417 HydrophobicContact CG-CD1 3.81Å; F325-L417 HydrophobicContact CG-CD2 3.66Å; F325-L417 HydrophobicContact CG-CG 4.38Å; F325-L417 HydrophobicContact CZ-CD1 3.85Å; F325-L417 HydrophobicContact CZ-CD2 3.32Å; F325-L417 HydrophobicContact CZ-CG 4.07Å; L407-L417 HydrophobicContact CD1-CD1 3.71Å; L407-L417 HydrophobicContact CD2-CB 4.13Å; L407-L417 HydrophobicContact CD2-CD1 3.6Å; L407-L417 HydrophobicContact CG-CD1 4.31Å; A413-L417 VanDerWaalsContact O-CB 3.27Å; A413-L417 WeakPolarHBondContact O-CB 3.32Å; A413-L417 PolarHBondContact O-N 2.77Å; F414-L417 PolarHBondContact O-N 3.13Å; Q415-L417 VanDerWaalsContact C-N 3.32Å; L417-R419 PolarHBondContact O-N 2.99Å; L417-N420 CarbonylContact O-C 3.6Å; L417-N420 WeakPolarHBondContact O-CA 3.44Å; L417-N420 WeakPolarHBondContact O-CB 3.42Å; L417-N420 PolarHBondContact O-N 3.35Å; L417-H421 HydrophobicContact CD2-CB 4.46Å; L417-H421 PolarHBondContact O-N 3.37Å
418	M	59.6	Low	72.2	Confident	55 Å²	55	75.2 Å²	75.2	27%	0.271	38%	0.378	S	S	.	.	H	α-helix	trans	-53.9	-43.5	173.1	-74.5	-99	113.3	0	0	111.3	F325 F330 F414 Q415 N420 H421 D422	F325-M418 HydrophobicContact CE1-CE 4.36Å; F330-M418 HydrophobicContact CD2-CE 4.42Å; F330-M418 HydrophobicContact CE2-CE 4.41Å; F330-M418 HydrophobicContact CE2-SD 4.46Å; F414-M418 HydrophobicContact CD1-CG 4.01Å; F414-M418 HydrophobicContact CE1-CE 4.38Å; F414-M418 HydrophobicContact CE1-CG 3.67Å; F414-M418 HydrophobicContact CE1-SD 4.03Å; F414-M418 HydrophobicContact CZ-CE 3.92Å; F414-M418 HydrophobicContact CZ-CG 4.08Å; F414-M418 HydrophobicContact CZ-SD 4.18Å; F414-M418 VanDerWaalsContact O-CG 3.28Å; F414-M418 WeakPolarHBondContact O-CG 3.37Å; F414-M418 PolarHBondContact O-N 3.23Å; Q415-M418 PolarHBondContact O-N 2.92Å; M418-N420 PolarHBondContact O-N 3.38Å; M418-H421 PolarHBondContact O-N 3.13Å; M418-D422 PolarHBondContact O-N 3.28Å
419	R	74.3	Confident	72.7	Confident	171 Å²	171	78.4 Å²	78.4	65%	0.645	39%	0.389	S	S	*	.	H	α-helix	trans	-63.1	-39.6	173.9	-77.9	-180	152.7	127	0.1	113	Q415 E416 L417 R423	Q415-R419 WeakPolarHBondContact O-CG 3.36Å; Q415-R419 PolarHBondContact O-N 3.14Å; E416-R419 WeakPolarHBondContact O-CB 3.42Å; E416-R419 PolarHBondContact O-N 2.89Å; L417-R419 PolarHBondContact O-N 2.99Å; R419-R423 WeakPolarHBondContact O-CB 3.44Å; R419-R423 VanDerWaalsContact O-CG 3.28Å; R419-R423 WeakPolarHBondContact O-CG 3.5Å; R419-R423 PolarHBondContact O-N 2.82Å
420	N	76.8	Confident	73.2	Confident	61 Å²	61	74.9 Å²	74.9	33%	0.326	39%	0.389	S	S	.	.	H	α-helix	trans	-69	-35.5	174.4	-82.9	-20.5	0	0	0	112	E416 L417 M418 R423 L424	E416-N420 PolarHBondContact O-N 2.87Å; L417-N420 CarbonylContact O-C 3.6Å; L417-N420 WeakPolarHBondContact O-CA 3.44Å; L417-N420 WeakPolarHBondContact O-CB 3.42Å; L417-N420 PolarHBondContact O-N 3.35Å; M418-N420 PolarHBondContact O-N 3.38Å; N420-R423 PolarHBondContact O-N 3.37Å; N420-L424 WeakPolarHBondContact O-CB 3.37Å; N420-L424 VanDerWaalsContact O-CG 3.23Å; N420-L424 WeakPolarHBondContact O-CG 3.41Å; N420-L424 PolarHBondContact O-N 3.36Å
421	H	67.2	Low	73.3	Confident	47 Å²	47	76.7 Å²	76.7	22%	0.218	40%	0.397	C	S	.	.	H	α-helix	trans	-65.4	-49.6	176.1	-177.5	83.6	0	0	0	110.6	F326 L417 M418 R423 L424 V425	F326-H421 AromaticContact CD1-CE1 3.77Å; F326-H421 AromaticContact CE1-CE1 3.42Å; F326-H421 VanDerWaalsContact CE1-CE1 3.42Å; F326-H421 WeakPolarHBondContact CE1-CE1 3.45Å; F326-H421 AromaticContact CE1-ND1 3.73Å; L417-H421 HydrophobicContact CD2-CB 4.46Å; L417-H421 PolarHBondContact O-N 3.37Å; M418-H421 PolarHBondContact O-N 3.13Å; H421-R423 VanDerWaalsContact C-N 3.29Å; H421-R423 PolarHBondContact O-N 2.82Å; H421-L424 CarbonylContact O-C 3.6Å; H421-L424 PolarHBondContact O-N 3.11Å; H421-L424 VanDerWaalsContact O-N 3.08Å; H421-V425 WeakPolarHBondContact O-CG2 3.33Å; H421-V425 PolarHBondContact O-N 2.98Å
422	D	71.9	Confident	72.3	Confident	109 Å²	109	80.1 Å²	80.1	58%	0.583	42%	0.419	S	S	*	.	H	α-helix	trans	-61	-39.5	175.9	-80.8	-14.9	0	0	0	111.9	M418 V425 S426	M418-D422 PolarHBondContact O-N 3.28Å; D422-V425 PolarHBondContact O-N 3.01Å; D422-S426 VanDerWaalsContact O-CB 3.25Å; D422-S426 WeakPolarHBondContact O-CB 3.03Å; D422-S426 PolarHBondContact O-N 3.33Å
423	R	74.6	Confident	72.2	Confident	133 Å²	133	79.8 Å²	79.8	50%	0.502	42%	0.421	S	S	.	.	H	α-helix	trans	-63.5	-42.2	173	-80.2	175.7	166.3	177.4	-6.3	112	E140 R419 N420 H421 N427	E140-R423 IonicContact OE2-CZ 3.66Å; E140-R423 IonicContact OE2-NH2 2.87Å; E140-R423 PolarHBondContact OE2-NH2 2.71Å; R419-R423 WeakPolarHBondContact O-CB 3.44Å; R419-R423 VanDerWaalsContact O-CG 3.28Å; R419-R423 WeakPolarHBondContact O-CG 3.5Å; R419-R423 PolarHBondContact O-N 2.82Å; N420-R423 PolarHBondContact O-N 3.37Å; H421-R423 VanDerWaalsContact C-N 3.29Å; H421-R423 PolarHBondContact O-N 2.82Å; R423-N427 VanDerWaalsContact O-CB 3.24Å; R423-N427 WeakPolarHBondContact O-CB 3.37Å; R423-N427 PolarHBondContact O-N 3.07Å; R423-N427 PolarHBondContact O-ND2 2.97Å; R423-N427 PolarHBondContact O-OD1 2.89Å
424	L	73.5	Confident	72.4	Confident	61 Å²	61	78.6 Å²	78.6	32%	0.319	41%	0.412	S	S	.	.	H	α-helix	trans	-66.6	-43.3	177.5	-77.4	169.8	0	0	0	111.4	N420 H421 N427 I428	N420-L424 WeakPolarHBondContact O-CB 3.37Å; N420-L424 VanDerWaalsContact O-CG 3.23Å; N420-L424 WeakPolarHBondContact O-CG 3.41Å; N420-L424 PolarHBondContact O-N 3.36Å; H421-L424 CarbonylContact O-C 3.6Å; H421-L424 PolarHBondContact O-N 3.11Å; H421-L424 VanDerWaalsContact O-N 3.08Å; L424-N427 PolarHBondContact O-N 2.96Å; L424-I428 WeakPolarHBondContact O-CG1 3.43Å; L424-I428 PolarHBondContact O-N 3.08Å
425	V	75.1	Confident	72.8	Confident	31 Å²	31	84.3 Å²	84.3	19%	0.188	44%	0.44	C	S	.	.	H	α-helix	trans	-62.3	-47.3	175.4	173	0	0	0	0	110	H421 D422 N427 I428 E429 L438	H421-V425 WeakPolarHBondContact O-CG2 3.33Å; H421-V425 PolarHBondContact O-N 2.98Å; D422-V425 PolarHBondContact O-N 3.01Å; V425-N427 VanDerWaalsContact C-N 3.31Å; V425-N427 PolarHBondContact O-N 2.8Å; V425-I428 CarbonylContact O-C 3.5Å; V425-I428 PolarHBondContact O-N 2.82Å; V425-I428 VanDerWaalsContact O-N 3.14Å; V425-E429 HydrophobicContact CG1-CG 4.45Å; V425-E429 WeakPolarHBondContact O-CG 3.08Å; V425-E429 PolarHBondContact O-N 2.82Å; V425-L438 HydrophobicContact CG1-CD2 4.16Å
426	S	73.1	Confident	72.9	Confident	65 Å²	65	80.7 Å²	80.7	46%	0.455	43%	0.431	S	S	.	.	H	α-helix	trans	-61.2	-38.5	175.5	179	0	0	0	0	112.5	D422 E429 S430	D422-S426 VanDerWaalsContact O-CB 3.25Å; D422-S426 WeakPolarHBondContact O-CB 3.03Å; D422-S426 PolarHBondContact O-N 3.33Å; S426-E429 WeakPolarHBondContact O-CB 3.45Å; S426-E429 PolarHBondContact O-N 2.98Å; S426-S430 WeakPolarHBondContact O-CB 3.33Å; S426-S430 PolarHBondContact O-N 3.27Å
427	N	76	Confident	73.1	Confident	77 Å²	77	77.9 Å²	77.9	41%	0.412	42%	0.423	S	S	.	.	H	α-helix	trans	-66.2	-41.4	174.6	-72.7	-18.7	0	0	0	111.4	R423 L424 V425 S430 M431	R423-N427 VanDerWaalsContact O-CB 3.24Å; R423-N427 WeakPolarHBondContact O-CB 3.37Å; R423-N427 PolarHBondContact O-N 3.07Å; R423-N427 PolarHBondContact O-ND2 2.97Å; R423-N427 PolarHBondContact O-OD1 2.89Å; L424-N427 PolarHBondContact O-N 2.96Å; V425-N427 VanDerWaalsContact C-N 3.31Å; V425-N427 PolarHBondContact O-N 2.8Å; N427-S430 PolarHBondContact O-N 3.18Å; N427-S430 PolarHBondContact O-OG 2.85Å; N427-M431 WeakPolarHBondContact O-CG 3.22Å; N427-M431 PolarHBondContact O-N 2.89Å
428	I	74.4	Confident	73.4	Confident	34 Å²	34	78 Å²	78	17%	0.174	42%	0.423	C	S	.	.	H	α-helix	trans	-65.3	-42.3	174.3	-63.9	163.7	0	0	0	109.6	L424 V425 S430 M431 G434 T437 L438	L424-I428 WeakPolarHBondContact O-CG1 3.43Å; L424-I428 PolarHBondContact O-N 3.08Å; V425-I428 CarbonylContact O-C 3.5Å; V425-I428 PolarHBondContact O-N 2.82Å; V425-I428 VanDerWaalsContact O-N 3.14Å; I428-S430 PolarHBondContact O-N 3.5Å; I428-M431 PolarHBondContact O-N 2.84Å; I428-M431 VanDerWaalsContact O-N 3.07Å; I428-G434 WeakPolarHBondContact CG2-O 3.13Å; I428-G434 CarbonylContact O-C 3.51Å; I428-G434 WeakPolarHBondContact O-CA 3.36Å; I428-T437 HydrophobicContact CG2-CG2 4.25Å; I428-L438 HydrophobicContact CB-CD1 4.5Å; I428-L438 HydrophobicContact CB-CD2 4.31Å; I428-L438 HydrophobicContact CB-CG 4.35Å; I428-L438 HydrophobicContact CG2-CD1 4.09Å; I428-L438 HydrophobicContact CG2-CD2 3.97Å; I428-L438 HydrophobicContact CG2-CG 3.64Å
429	E	75.8	Confident	74.3	Confident	124 Å²	124	80.9 Å²	80.9	58%	0.579	44%	0.436	S	S	*	.	H	α-helix	trans	-56.9	-37.8	174	-73.3	-178.9	173.1	0	0	112	V425 S426 M431 L438	V425-E429 HydrophobicContact CG1-CG 4.45Å; V425-E429 WeakPolarHBondContact O-CG 3.08Å; V425-E429 PolarHBondContact O-N 2.82Å; S426-E429 WeakPolarHBondContact O-CB 3.45Å; S426-E429 PolarHBondContact O-N 2.98Å; E429-M431 VanDerWaalsContact C-N 3.31Å; E429-M431 PolarHBondContact O-N 3.28Å; E429-L438 HydrophobicContact CB-CD1 4.24Å; E429-L438 HydrophobicContact CG-CD1 3.3Å
430	S	77.1	Confident	74.5	Confident	86 Å²	86	77.9 Å²	77.9	60%	0.601	43%	0.425	S	S	*	.	H	α-helix	trans	-75.3	-15.7	179.2	78.2	0	0	0	0	114.3	S426 N427 I428	S426-S430 WeakPolarHBondContact O-CB 3.33Å; S426-S430 PolarHBondContact O-N 3.27Å; N427-S430 PolarHBondContact O-N 3.18Å; N427-S430 PolarHBondContact O-OG 2.85Å; I428-S430 PolarHBondContact O-N 3.5Å
431	M	73.3	Confident	73.9	Confident	117 Å²	117	77.2 Å²	77.2	58%	0.576	42%	0.42	S	S	*	.	S	Bend	trans	-78.2	135.3	177.7	-73.2	177.3	65.5	0	0	110.8	N427 I428 E429 G433 G434	N427-M431 WeakPolarHBondContact O-CG 3.22Å; N427-M431 PolarHBondContact O-N 2.89Å; I428-M431 PolarHBondContact O-N 2.84Å; I428-M431 VanDerWaalsContact O-N 3.07Å; E429-M431 VanDerWaalsContact C-N 3.31Å; E429-M431 PolarHBondContact O-N 3.28Å; M431-G433 PolarHBondContact O-N 2.77Å; M431-G434 WeakPolarHBondContact O-CA 3.44Å; M431-G434 PolarHBondContact O-N 2.96Å
432	P	51.8	Low	73.9	Confident	137 Å²	137	81.3 Å²	81.3	89%	0.89	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	121.4	170.1	23.5	-30.3	0	0	0	109.9	G434	P432-G434 VanDerWaalsContact C-N 3.3Å
433	G	76.2	Confident	73.9	Confident	51 Å²	51	81 Å²	81	53%	0.526	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.5	-7.1	-171.1	0	0	0	0	0	114.6	M431 M435 A436 T437	M431-G433 PolarHBondContact O-N 2.77Å; G433-M435 VanDerWaalsContact C-N 3.28Å; G433-M435 PolarHBondContact O-N 3.05Å; G433-A436 WeakPolarHBondContact O-CA 3.11Å; G433-A436 VanDerWaalsContact O-CB 3.29Å; G433-A436 WeakPolarHBondContact O-CB 3.37Å; G433-A436 PolarHBondContact O-N 3.14Å; G433-T437 PolarHBondContact O-N 3.35Å
434	G	78.6	Confident	73.8	Confident	3 Å²	3	80.8 Å²	80.8	3%	0.031	43%	0.434	C	S	.	.	H	α-helix	trans	-68.4	-26.5	178.4	0	0	0	0	0	113.2	I428 M431 P432 A436 T437 L438	I428-G434 WeakPolarHBondContact CG2-O 3.13Å; I428-G434 CarbonylContact O-C 3.51Å; I428-G434 WeakPolarHBondContact O-CA 3.36Å; M431-G434 WeakPolarHBondContact O-CA 3.44Å; M431-G434 PolarHBondContact O-N 2.96Å; P432-G434 VanDerWaalsContact C-N 3.3Å; G434-A436 VanDerWaalsContact C-N 3.26Å; G434-A436 PolarHBondContact O-N 2.96Å; G434-T437 CarbonylContact O-C 3.51Å; G434-T437 WeakPolarHBondContact O-CA 3.35Å; G434-T437 WeakPolarHBondContact O-CB 3.35Å; G434-T437 PolarHBondContact O-N 3.31Å; G434-T437 VanDerWaalsContact O-N 3.13Å; G434-L438 WeakPolarHBondContact O-CG 3.42Å; G434-L438 PolarHBondContact O-N 3.15Å
435	M	77.8	Confident	73.1	Confident	147 Å²	147	80.3 Å²	80.3	72%	0.724	43%	0.431	S	S	*	.	H	α-helix	trans	-62.3	-34	166.7	-150.4	-159.7	-117.3	0	0	112	G433 L438 Q439	G433-M435 VanDerWaalsContact C-N 3.28Å; G433-M435 PolarHBondContact O-N 3.05Å; M435-L438 PolarHBondContact O-N 3.09Å; M435-Q439 WeakPolarHBondContact O-CB 3.32Å; M435-Q439 PolarHBondContact O-N 3.47Å
436	A	77.5	Confident	72.5	Confident	42 Å²	42	82.4 Å²	82.4	35%	0.347	44%	0.439	S	S	.	.	H	α-helix	trans	-72	-33.9	173.3	0	0	0	0	0	111.8	G433 G434 Q439 R440	G433-A436 WeakPolarHBondContact O-CA 3.11Å; G433-A436 VanDerWaalsContact O-CB 3.29Å; G433-A436 WeakPolarHBondContact O-CB 3.37Å; G433-A436 PolarHBondContact O-N 3.14Å; G434-A436 VanDerWaalsContact C-N 3.26Å; G434-A436 PolarHBondContact O-N 2.96Å; A436-Q439 PolarHBondContact O-N 3.11Å; A436-R440 WeakPolarHBondContact O-CG 3.32Å; A436-R440 PolarHBondContact O-N 3.13Å
437	T	79	Confident	72.1	Confident	70 Å²	70	84.3 Å²	84.3	43%	0.429	44%	0.441	S	S	.	.	H	α-helix	trans	-63.4	-44.5	169.8	-56.7	0	0	0	0	111.2	I428 G433 G434 Q439 R440 M441	I428-T437 HydrophobicContact CG2-CG2 4.25Å; G433-T437 PolarHBondContact O-N 3.35Å; G434-T437 CarbonylContact O-C 3.51Å; G434-T437 WeakPolarHBondContact O-CA 3.35Å; G434-T437 WeakPolarHBondContact O-CB 3.35Å; G434-T437 PolarHBondContact O-N 3.31Å; G434-T437 VanDerWaalsContact O-N 3.13Å; T437-Q439 VanDerWaalsContact C-N 3.33Å; T437-R440 CarbonylContact O-C 3.52Å; T437-R440 PolarHBondContact O-N 2.91Å; T437-M441 WeakPolarHBondContact O-CB 3.5Å; T437-M441 PolarHBondContact O-N 3.42Å
438	L	77.8	Confident	71.3	Confident	18 Å²	18	83 Å²	83	9%	0.094	44%	0.437	C	S	.	.	H	α-helix	trans	-65	-38.7	174.6	-69.2	166.5	0	0	0	111.1	V425 I428 E429 G434 M435 R440 M441 Y442	V425-L438 HydrophobicContact CG1-CD2 4.16Å; I428-L438 HydrophobicContact CB-CD1 4.5Å; I428-L438 HydrophobicContact CB-CD2 4.31Å; I428-L438 HydrophobicContact CB-CG 4.35Å; I428-L438 HydrophobicContact CG2-CD1 4.09Å; I428-L438 HydrophobicContact CG2-CD2 3.97Å; I428-L438 HydrophobicContact CG2-CG 3.64Å; E429-L438 HydrophobicContact CB-CD1 4.24Å; E429-L438 HydrophobicContact CG-CD1 3.3Å; G434-L438 WeakPolarHBondContact O-CG 3.42Å; G434-L438 PolarHBondContact O-N 3.15Å; M435-L438 PolarHBondContact O-N 3.09Å; L438-R440 VanDerWaalsContact C-N 3.33Å; L438-R440 PolarHBondContact O-N 3.1Å; L438-M441 CarbonylContact O-C 3.52Å; L438-M441 PolarHBondContact O-N 3.1Å; L438-Y442 WeakPolarHBondContact O-CB 3.39Å; L438-Y442 WeakPolarHBondContact O-CD2 3.48Å; L438-Y442 PolarHBondContact O-N 2.63Å
439	Q	78	Confident	70.5	Confident	115 Å²	115	83.1 Å²	83.1	54%	0.537	44%	0.437	S	S	.	.	H	α-helix	trans	-63.5	-41	175.5	-135.3	169.5	14.5	0	0	111.2	M435 A436 T437 Y442 Q443	M435-Q439 WeakPolarHBondContact O-CB 3.32Å; M435-Q439 PolarHBondContact O-N 3.47Å; A436-Q439 PolarHBondContact O-N 3.11Å; T437-Q439 VanDerWaalsContact C-N 3.33Å; Q439-Y442 PolarHBondContact O-N 3.49Å; Q439-Q443 VanDerWaalsContact O-CB 3.26Å; Q439-Q443 WeakPolarHBondContact O-CB 3.48Å; Q439-Q443 VanDerWaalsContact O-CG 3.22Å; Q439-Q443 WeakPolarHBondContact O-CG 3.25Å; Q439-Q443 PolarHBondContact O-N 2.96Å
440	R	78.2	Confident	69.7	Low	107 Å²	107	81 Å²	81	40%	0.404	43%	0.428	S	S	.	.	H	α-helix	trans	-64.5	-43.6	170.4	-75.6	-174.9	-168.1	134.6	7.4	111.5	K49 A436 T437 L438 Y442 Q443 E444	K49-R440 PolarHBondContact O-NH2 3.4Å; A436-R440 WeakPolarHBondContact O-CG 3.32Å; A436-R440 PolarHBondContact O-N 3.13Å; T437-R440 CarbonylContact O-C 3.52Å; T437-R440 PolarHBondContact O-N 2.91Å; L438-R440 VanDerWaalsContact C-N 3.33Å; L438-R440 PolarHBondContact O-N 3.1Å; R440-Y442 VanDerWaalsContact C-N 3.29Å; R440-Y442 PolarHBondContact O-N 3.43Å; R440-Q443 PolarHBondContact O-N 3.5Å; R440-Q443 VanDerWaalsContact O-N 3.16Å; R440-E444 HydrophobicContact CB-CG 4.46Å; R440-E444 WeakPolarHBondContact O-CA 3.48Å; R440-E444 WeakPolarHBondContact O-CB 3.47Å; R440-E444 VanDerWaalsContact O-CG 3.3Å; R440-E444 WeakPolarHBondContact O-CG 3.46Å; R440-E444 PolarHBondContact O-N 3.04Å
441	M	65.4	Low	69.3	Low	47 Å²	47	81.3 Å²	81.3	23%	0.232	42%	0.423	C	S	.	.	H	α-helix	trans	-61.8	-40.4	177.6	-145.7	172.8	-146	0	0	111.4	F326 T437 L438 I445 Q446	F326-M441 HydrophobicContact CB-CE 4.42Å; F326-M441 HydrophobicContact CD1-CE 3.27Å; F326-M441 HydrophobicContact CD1-SD 3.82Å; F326-M441 HydrophobicContact CD2-CE 4.06Å; F326-M441 HydrophobicContact CE1-CE 3.3Å; F326-M441 HydrophobicContact CE1-SD 3.66Å; F326-M441 HydrophobicContact CE2-CE 4.09Å; F326-M441 HydrophobicContact CG-CE 3.67Å; F326-M441 HydrophobicContact CZ-CE 3.73Å; F326-M441 HydrophobicContact CZ-SD 4.46Å; T437-M441 WeakPolarHBondContact O-CB 3.5Å; T437-M441 PolarHBondContact O-N 3.42Å; L438-M441 CarbonylContact O-C 3.52Å; L438-M441 PolarHBondContact O-N 3.1Å; M441-I445 HydrophobicContact CE-CD1 4.23Å; M441-I445 HydrophobicContact CG-CD1 3.73Å; M441-I445 HydrophobicContact CG-CG1 4.38Å; M441-I445 WeakPolarHBondContact O-CA 3.41Å; M441-I445 VanDerWaalsContact O-CB 3.24Å; M441-I445 WeakPolarHBondContact O-CB 3.42Å; M441-I445 PolarHBondContact O-N 3.27Å; M441-Q446 PolarHBondContact O-N 3.33Å; M441-Q446 VanDerWaalsContact O-N 3.14Å
442	Y	66.1	Low	68.5	Low	134 Å²	134	76.6 Å²	76.6	53%	0.525	40%	0.403	S	S	.	.	I	π-helix	trans	-65.6	-42.8	173.1	-97.2	-95.1	0	0	0	112	L438 Q439 R440 Q446 E447	L438-Y442 WeakPolarHBondContact O-CB 3.39Å; L438-Y442 WeakPolarHBondContact O-CD2 3.48Å; L438-Y442 PolarHBondContact O-N 2.63Å; Q439-Y442 PolarHBondContact O-N 3.49Å; R440-Y442 VanDerWaalsContact C-N 3.29Å; R440-Y442 PolarHBondContact O-N 3.43Å; Y442-Q446 HydrophobicContact CD1-CB 4.34Å; Y442-Q446 HydrophobicContact CD1-CG 4.41Å; Y442-Q446 VanDerWaalsContact CD1-OE1 3.26Å; Y442-Q446 CarbonylContact O-C 3.35Å; Y442-Q446 WeakPolarHBondContact O-CB 3.34Å; Y442-Q446 PolarHBondContact O-N 2.87Å; Y442-E447 WeakPolarHBondContact O-CB 3.36Å; Y442-E447 PolarHBondContact O-N 2.77Å
443	Q	73.3	Confident	68.5	Low	102 Å²	102	72.3 Å²	72.3	48%	0.477	37%	0.374	S	S	.	.	I	π-helix	trans	-81.7	-31.9	-177.1	-73.1	175.7	0.8	0	0	114	Q439 R440 P448	Q439-Q443 VanDerWaalsContact O-CB 3.26Å; Q439-Q443 WeakPolarHBondContact O-CB 3.48Å; Q439-Q443 VanDerWaalsContact O-CG 3.22Å; Q439-Q443 WeakPolarHBondContact O-CG 3.25Å; Q439-Q443 PolarHBondContact O-N 2.96Å; R440-Q443 PolarHBondContact O-N 3.5Å; R440-Q443 VanDerWaalsContact O-N 3.16Å; Q443-P448 WeakPolarHBondContact O-CD 3.28Å
444	E	72.5	Confident	67.5	Low	129 Å²	129	72.6 Å²	72.6	60%	0.603	36%	0.359	S	S	*	.	I	π-helix	trans	-94.6	-31.2	-175.1	-63.6	175	178.4	0	0	111.8	R440 P448	R440-E444 HydrophobicContact CB-CG 4.46Å; R440-E444 WeakPolarHBondContact O-CA 3.48Å; R440-E444 WeakPolarHBondContact O-CB 3.47Å; R440-E444 VanDerWaalsContact O-CG 3.3Å; R440-E444 WeakPolarHBondContact O-CG 3.46Å; R440-E444 PolarHBondContact O-N 3.04Å; E444-P448 WeakPolarHBondContact O-CG 3.15Å
445	I	58.2	Low	66.6	Low	50 Å²	50	79.1 Å²	79.1	26%	0.256	39%	0.393	S	S	.	.	I	π-helix	trans	-111.1	-54.1	-178.1	-50.6	-177.9	0	0	0	111.2	M441 M449	M441-I445 HydrophobicContact CE-CD1 4.23Å; M441-I445 HydrophobicContact CG-CD1 3.73Å; M441-I445 HydrophobicContact CG-CG1 4.38Å; M441-I445 WeakPolarHBondContact O-CA 3.41Å; M441-I445 VanDerWaalsContact O-CB 3.24Å; M441-I445 WeakPolarHBondContact O-CB 3.42Å; M441-I445 PolarHBondContact O-N 3.27Å; I445-M449 HydrophobicContact CG2-CE 4.17Å; I445-M449 WeakPolarHBondContact O-CB 3.36Å; I445-M449 PolarHBondContact O-N 2.86Å
446	Q	62.8	Low	65.2	Low	76 Å²	76	75 Å²	75	36%	0.355	37%	0.372	S	S	.	.	I	π-helix	trans	-77.1	-40.1	-172	-169.6	175.1	-26.5	0	0	113.3	M441 Y442 M449 M450	M441-Q446 PolarHBondContact O-N 3.33Å; M441-Q446 VanDerWaalsContact O-N 3.14Å; Y442-Q446 HydrophobicContact CD1-CB 4.34Å; Y442-Q446 HydrophobicContact CD1-CG 4.41Å; Y442-Q446 VanDerWaalsContact CD1-OE1 3.26Å; Y442-Q446 CarbonylContact O-C 3.35Å; Y442-Q446 WeakPolarHBondContact O-CB 3.34Å; Y442-Q446 PolarHBondContact O-N 2.87Å; Q446-M449 CarbonylContact O-C 3.55Å; Q446-M449 PolarHBondContact O-N 3.36Å; Q446-M450 WeakPolarHBondContact O-CB 3.24Å; Q446-M450 PolarHBondContact O-N 3.49Å
447	E	64.7	Low	63.4	Low	105 Å²	105	80.1 Å²	80.1	49%	0.491	39%	0.387	S	S	.	.	H	α-helix	trans	-64.9	-44.7	-179.7	-94.9	-173.4	166.6	0	0	112.6	Y442 M449 M450 N451	Y442-E447 WeakPolarHBondContact O-CB 3.36Å; Y442-E447 PolarHBondContact O-N 2.77Å; E447-M449 VanDerWaalsContact C-N 3.28Å; E447-M449 PolarHBondContact O-N 3.46Å; E447-M450 CarbonylContact O-C 3.55Å; E447-M450 PolarHBondContact O-N 3.26Å; E447-N451 VanDerWaalsContact O-CB 3.28Å; E447-N451 WeakPolarHBondContact O-CB 3.47Å; E447-N451 PolarHBondContact O-N 2.84Å
448	P	59.8	Low	61.5	Low	50 Å²	50	79.6 Å²	79.6	33%	0.325	40%	0.395	S	S	.	.	H	α-helix	trans	-63.3	-37.5	174.4	-24.6	36.1	0	0	0	111.5	Q443 E444 N451 A452	Q443-P448 WeakPolarHBondContact O-CD 3.28Å; E444-P448 WeakPolarHBondContact O-CG 3.15Å; P448-N451 PolarHBondContact O-N 3.32Å; P448-A452 WeakPolarHBondContact O-CB 3.32Å; P448-A452 PolarHBondContact O-N 3.5Å
449	M	56.1	Low	59.9	Low	35 Å²	35	81.2 Å²	81.2	17%	0.172	41%	0.412	C	S	.	.	H	α-helix	trans	-67.4	-41.6	175.5	-159	-164.8	-43.2	0	0	111.6	P329 I445 Q446 E447 A452 T453	P329-M449 WeakPolarHBondContact CA-SD 3.43Å; P329-M449 HydrophobicContact CB-SD 3.37Å; P329-M449 WeakPolarHBondContact CB-SD 3.41Å; P329-M449 HydrophobicContact CG-CG 4.4Å; P329-M449 HydrophobicContact CG-SD 3.49Å; P329-M449 WeakPolarHBondContact CG-SD 3.46Å; I445-M449 HydrophobicContact CG2-CE 4.17Å; I445-M449 WeakPolarHBondContact O-CB 3.36Å; I445-M449 PolarHBondContact O-N 2.86Å; Q446-M449 CarbonylContact O-C 3.55Å; Q446-M449 PolarHBondContact O-N 3.36Å; E447-M449 VanDerWaalsContact C-N 3.28Å; E447-M449 PolarHBondContact O-N 3.46Å; M449-A452 PolarHBondContact O-N 2.76Å; M449-T453 WeakPolarHBondContact O-CB 3.16Å; M449-T453 PolarHBondContact O-N 3.39Å; M449-T453 PolarHBondContact O-OG1 3.3Å
450	M	60	Low	58.3	Low	80 Å²	80	81 Å²	81	39%	0.394	42%	0.42	S	S	.	.	H	α-helix	trans	-66.2	-38.5	174.3	-103.9	-88.3	-86.2	0	0	111.5	Q446 E447 T453 R454	Q446-M450 WeakPolarHBondContact O-CB 3.24Å; Q446-M450 PolarHBondContact O-N 3.49Å; E447-M450 CarbonylContact O-C 3.55Å; E447-M450 PolarHBondContact O-N 3.26Å; M450-T453 CarbonylContact O-C 3.53Å; M450-T453 PolarHBondContact O-N 3.11Å; M450-R454 WeakPolarHBondContact O-CA 3.25Å; M450-R454 VanDerWaalsContact O-CB 3.26Å; M450-R454 WeakPolarHBondContact O-CB 3.43Å; M450-R454 PolarHBondContact O-N 3.28Å
451	N	67.9	Low	56.7	Low	93 Å²	93	79.5 Å²	79.5	50%	0.497	42%	0.42	S	S	.	.	H	α-helix	trans	-69.7	-40	175	-84.3	-11.1	0	0	0	111.7	E447 P448 T453 R454 D455	E447-N451 VanDerWaalsContact O-CB 3.28Å; E447-N451 WeakPolarHBondContact O-CB 3.47Å; E447-N451 PolarHBondContact O-N 2.84Å; P448-N451 PolarHBondContact O-N 3.32Å; N451-T453 VanDerWaalsContact C-N 3.33Å; N451-T453 PolarHBondContact O-N 3.47Å; N451-R454 WeakPolarHBondContact O-CA 3.28Å; N451-R454 WeakPolarHBondContact O-CB 3.31Å; N451-R454 PolarHBondContact O-N 3.47Å; N451-R454 VanDerWaalsContact O-N 3.13Å; N451-D455 PolarHBondContact O-N 3.36Å
452	A	56.4	Low	55.9	Low	18 Å²	18	81.3 Å²	81.3	15%	0.149	44%	0.435	C	S	.	.	H	α-helix	trans	-64.3	-39.8	173.1	0	0	0	0	0	111.6	P448 M449 R454 Q456	P448-A452 WeakPolarHBondContact O-CB 3.32Å; P448-A452 PolarHBondContact O-N 3.5Å; M449-A452 PolarHBondContact O-N 2.76Å; A452-R454 VanDerWaalsContact C-N 3.31Å; A452-Q456 VanDerWaalsContact O-CB 3.23Å; A452-Q456 WeakPolarHBondContact O-CB 3.42Å; A452-Q456 PolarHBondContact O-N 2.9Å; A452-Q456 VanDerWaalsContact O-N 3.12Å
453	T	51.9	Low	54.9	Low	46 Å²	46	81.8 Å²	81.8	28%	0.282	44%	0.44	S	S	.	.	H	α-helix	trans	-70.4	-31.8	173.5	-42.8	0	0	0	0	110.7	M449 M450 N451 Q456 F457	M449-T453 WeakPolarHBondContact O-CB 3.16Å; M449-T453 PolarHBondContact O-N 3.39Å; M449-T453 PolarHBondContact O-OG1 3.3Å; M450-T453 CarbonylContact O-C 3.53Å; M450-T453 PolarHBondContact O-N 3.11Å; N451-T453 VanDerWaalsContact C-N 3.33Å; N451-T453 PolarHBondContact O-N 3.47Å; T453-Q456 PolarHBondContact O-N 3.15Å; T453-F457 HydrophobicContact CG2-CD2 3.86Å; T453-F457 HydrophobicContact CG2-CE2 4.48Å; T453-F457 WeakPolarHBondContact O-CB 3.38Å; T453-F457 PolarHBondContact O-N 2.83Å
454	R	55.7	Low	53.9	Low	57 Å²	57	79.3 Å²	79.3	22%	0.215	44%	0.438	C	S	.	.	H	α-helix	trans	-60.8	-50.3	173.4	-149.7	86.1	-158.2	-90.3	-136.2	112.1	M450 N451 A452 Q456 G458 A459 N461 P462	M450-R454 WeakPolarHBondContact O-CA 3.25Å; M450-R454 VanDerWaalsContact O-CB 3.26Å; M450-R454 WeakPolarHBondContact O-CB 3.43Å; M450-R454 PolarHBondContact O-N 3.28Å; N451-R454 WeakPolarHBondContact O-CA 3.28Å; N451-R454 WeakPolarHBondContact O-CB 3.31Å; N451-R454 PolarHBondContact O-N 3.47Å; N451-R454 VanDerWaalsContact O-N 3.13Å; A452-R454 VanDerWaalsContact C-N 3.31Å; R454-Q456 PolarHBondContact O-N 2.84Å; R454-G458 PolarHBondContact O-N 3.47Å; R454-A459 PolarHBondContact NE-O 3.49Å; R454-N461 VanDerWaalsContact CZ-CG 3.49Å; R454-N461 PolarHBondContact NH1-OD1 3.36Å; R454-N461 PolarHBondContact NH2-ND2 2.96Å; R454-N461 PolarHBondContact NH2-OD1 3.44Å; R454-P462 VanDerWaalsContact NH1-CD 3.31Å
455	D	58.7	Low	52.7	Low	141 Å²	141	77.3 Å²	77.3	75%	0.754	44%	0.438	S	S	*	.	H	α-helix	trans	-70.8	-25.2	-177.5	-75.3	-26.9	0	0	0	111.2	N451	N451-D455 PolarHBondContact O-N 3.36Å
456	Q	49.6	Very low	52.3	Low	60 Å²	60	80.3 Å²	80.3	28%	0.28	45%	0.454	S	S	.	.	H	α-helix	trans	-91.5	-33.9	-178.8	-170.6	163.7	86.6	0	0	114.1	A452 T453 R454	A452-Q456 VanDerWaalsContact O-CB 3.23Å; A452-Q456 WeakPolarHBondContact O-CB 3.42Å; A452-Q456 PolarHBondContact O-N 2.9Å; A452-Q456 VanDerWaalsContact O-N 3.12Å; T453-Q456 PolarHBondContact O-N 3.15Å; R454-Q456 PolarHBondContact O-N 2.84Å
457	F	39.9	Very low	51.9	Low	150 Å²	150	81 Å²	81	66%	0.658	47%	0.472	S	S	*	.	H	α-helix	trans	-98.4	4.8	177.8	-83.4	-84.5	0	0	0	114	T453 A459	T453-F457 HydrophobicContact CG2-CD2 3.86Å; T453-F457 HydrophobicContact CG2-CE2 4.48Å; T453-F457 WeakPolarHBondContact O-CB 3.38Å; T453-F457 PolarHBondContact O-N 2.83Å; F457-A459 PolarHBondContact O-N 3.33Å
458	G	39.1	Very low	50.8	Low	58 Å²	58	80.4 Å²	80.4	60%	0.598	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	17.2	169.9	0	0	0	0	0	113.8	R454 P460	R454-G458 PolarHBondContact O-N 3.47Å; G458-P460 WeakPolarHBondContact O-CD 3.48Å; G458-P460 VanDerWaalsContact O-N 3.16Å
459	A	43.9	Very low	49.7	Very low	53 Å²	53	85.4 Å²	85.4	44%	0.438	50%	0.504	S	S	.	.			trans	-75.1	105	-179.6	0	0	0	0	0	106.5	R454 F457 N461	R454-A459 PolarHBondContact NE-O 3.49Å; F457-A459 PolarHBondContact O-N 3.33Å; A459-N461 PolarHBondContact O-N 2.88Å; A459-N461 VanDerWaalsContact O-N 3.14Å
460	P	44.4	Very low	48.8	Very low	110 Å²	110	91.2 Å²	91.2	71%	0.714	54%	0.535	S	S	*	.			trans	-64.1	124.2	-179.9	-6.5	23	0	0	0	106.4	G458 P462	G458-P460 WeakPolarHBondContact O-CD 3.48Å; G458-P460 VanDerWaalsContact O-N 3.16Å; P460-P462 VanDerWaalsContact C-N 3.34Å; P460-P462 WeakPolarHBondContact O-CD 3.41Å
461	N	43.3	Very low	47.7	Very low	75 Å²	75	97 Å²	97	40%	0.401	56%	0.562	S	S	.	*				37.5	52.1	107.4	-66.8	-15.2	0	0	0	118.6	R454 A459 F463 A464	R454-N461 VanDerWaalsContact CZ-CG 3.49Å; R454-N461 PolarHBondContact NH1-OD1 3.36Å; R454-N461 PolarHBondContact NH2-ND2 2.96Å; R454-N461 PolarHBondContact NH2-OD1 3.44Å; A459-N461 PolarHBondContact O-N 2.88Å; A459-N461 VanDerWaalsContact O-N 3.14Å; N461-F463 PolarHBondContact O-N 3.42Å; N461-A464 HydrophobicContact CB-CB 3.34Å; N461-A464 PolarHBondContact O-N 2.89Å
462	P	49.2	Very low	46	Very low	85 Å²	85	95.4 Å²	95.4	55%	0.552	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	-17.1	-175.7	27	-31.1	0	0	0	111	R454 P460	R454-P462 VanDerWaalsContact NH1-CD 3.31Å; P460-P462 VanDerWaalsContact C-N 3.34Å; P460-P462 WeakPolarHBondContact O-CD 3.41Å
463	F	45.6	Very low	45	Very low	144 Å²	144	103.8 Å²	103.8	63%	0.632	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	-10	170.2	-74.9	-84.3	0	0	0	115.5	N461 S465 L466	N461-F463 PolarHBondContact O-N 3.42Å; F463-S465 VanDerWaalsContact C-N 3.35Å; F463-L466 HydrophobicContact CD1-CD1 3.89Å; F463-L466 HydrophobicContact CE1-CD1 4.4Å; F463-L466 PolarHBondContact O-N 3.49Å
464	A	51.9	Low	44.1	Very low	51 Å²	51	107.7 Å²	107.7	42%	0.421	62%	0.622	S	S	.	*	G	3₁₀ helix	trans	-74.1	-26.7	-179.5	0	0	0	0	0	112.6	N461 L466 A467	N461-A464 HydrophobicContact CB-CB 3.34Å; N461-A464 PolarHBondContact O-N 2.89Å; A464-L466 PolarHBondContact O-N 2.86Å; A464-A467 PolarHBondContact O-N 2.94Å
465	S	47.5	Very low	43.4	Very low	87 Å²	87	111.9 Å²	111.9	61%	0.608	65%	0.654	S	S	*	*	G	3₁₀ helix	trans	-66.6	-22.7	174.4	45.4	0	0	0	0	112.9	F463 A467	F463-S465 VanDerWaalsContact C-N 3.35Å; S465-A467 VanDerWaalsContact C-N 3.3Å; S465-A467 PolarHBondContact O-N 3.05Å
466	L	49.5	Very low	42.8	Very low	112 Å²	112	110.5 Å²	110.5	59%	0.586	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-74	-20.3	174.5	-78.7	165.1	0	0	0	113.5	F463 A464 L661	F463-L466 HydrophobicContact CD1-CD1 3.89Å; F463-L466 HydrophobicContact CE1-CD1 4.4Å; F463-L466 PolarHBondContact O-N 3.49Å; A464-L466 PolarHBondContact O-N 2.86Å; L466-L661 HydrophobicContact CD1-CD2 4.03Å; L466-L661 HydrophobicContact CD2-CD2 4.3Å; L466-L661 HydrophobicContact CG-CD2 4.29Å
467	A	55.1	Low	42.8	Very low	90 Å²	90	112.5 Å²	112.5	74%	0.744	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-94.3	-4.6	178.9	0	0	0	0	0	113.2	A464 S465	A464-A467 PolarHBondContact O-N 2.94Å; S465-A467 VanDerWaalsContact C-N 3.3Å; S465-A467 PolarHBondContact O-N 3.05Å
468	S	42.1	Very low	42.9	Very low	93 Å²	93	110.6 Å²	110.6	65%	0.65	68%	0.679	S	S	*	*	S	Bend	trans	-99.1	-7.6	-168.9	-167.4	0	0	0	0	115.6
469	D	37	Very low	43.8	Very low	155 Å²	155	111.9 Å²	111.9	83%	0.829	69%	0.693	S	S	*	*	S	Bend	trans	-115.4	63.6	178	-100.2	-14	0	0	0	111.2
470	N	36.3	Very low	44.1	Very low	157 Å²	157	119.1 Å²	119.1	84%	0.84	71%	0.708	S	S	*	*			trans	-163.3	111.1	138.5	-110.2	-21.2	0	0	0	109.8	G472	N470-G472 PolarHBondContact O-N 3.24Å
471	Q	36	Very low	44.4	Very low	203 Å²	203	122.1 Å²	122.1	95%	0.949	71%	0.713	S	S	*	*			trans	-52.9	125.2	167	-66.2	170.5	-6.6	0	0	109.7
472	G	32.1	Very low	45.2	Very low	59 Å²	59	123 Å²	123	61%	0.608	72%	0.718	S	S	*	*	S	Bend	trans	138.5	94.1	166.3	0	0	0	0	0	115.4	N470 N474	N470-G472 PolarHBondContact O-N 3.24Å; G472-N474 PolarHBondContact O-N 3.27Å
473	E	35.6	Very low	46	Very low	193 Å²	193	129.9 Å²	129.9	90%	0.902	73%	0.733	S	S	*	*	S	Bend	trans	77.5	-6.2	145.4	-67	-168.4	135.4	0	0	123.7
474	N	34.6	Very low	46.8	Very low	128 Å²	128	127.8 Å²	127.8	68%	0.684	73%	0.732	S	S	*	*			trans	-127.8	52.8	-174.5	-79.1	-51.3	0	0	0	117.1	G472	G472-N474 PolarHBondContact O-N 3.27Å
475	V	41.2	Very low	47.4	Very low	145 Å²	145	131.2 Å²	131.2	88%	0.879	75%	0.75	S	S	*	*			trans	-101.1	6.8	177.2	-173.5	0	0	0	0	113.6
476	S	45.1	Very low	48.5	Very low	112 Å²	112	133.5 Å²	133.5	78%	0.783	75%	0.754	S	S	*	*			trans	-107.8	21.3	-173.4	-52.8	0	0	0	0	115.9
477	L	49.9	Very low	49.4	Very low	103 Å²	103	133.5 Å²	133.5	54%	0.539	76%	0.761	S	S	.	*			trans	-112.9	1.2	-170.4	-81	157.6	0	0	0	116.2	G479 R480	L477-G479 PolarHBondContact O-N 2.81Å; L477-R480 HydrophobicContact CD2-CB 4.47Å; L477-R480 PolarHBondContact O-N 3.47Å
478	A	42.4	Very low	49.6	Very low	110 Å²	110	133.5 Å²	133.5	91%	0.909	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	117.4	169.4	0	0	0	0	0	109.7
479	G	56.4	Low	50.5	Low	85 Å²	85	134.1 Å²	134.1	88%	0.876	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	96.6	3.1	177	0	0	0	0	0	116.8	L477	L477-G479 PolarHBondContact O-N 2.81Å
480	R	51.7	Low	51.9	Low	204 Å²	204	136.5 Å²	136.5	77%	0.77	75%	0.748	S	S	*	*	S	Bend	trans	-109.5	130.9	171.1	-83.9	-175	159.9	170.5	-3.1	111.9	L477 N482	L477-R480 HydrophobicContact CD2-CB 4.47Å; L477-R480 PolarHBondContact O-N 3.47Å; R480-N482 PolarHBondContact O-N 3.17Å
481	E	50	Low	53.2	Low	173 Å²	173	131.4 Å²	131.4	81%	0.808	73%	0.728	S	S	*	*			trans	-54.6	129	173.1	-164.3	-179.8	-154.5	0	0	110.1	R483	E481-R483 PolarHBondContact O-N 3.09Å; E481-R483 VanDerWaalsContact O-N 3.07Å
482	N	60.8	Low	54.1	Low	93 Å²	93	127.7 Å²	127.7	50%	0.497	72%	0.721	S	S	.	*			trans	-69.3	104.6	-177	-168.3	7.7	0	0	0	110	R480 T484 L486	R480-N482 PolarHBondContact O-N 3.17Å; N482-T484 PolarHBondContact OD1-O 3.24Å; N482-T484 PolarHBondContact OD1-OG1 2.9Å; N482-T484 VanDerWaalsContact OD1-OG1 3.07Å; N482-L486 VanDerWaalsContact ND2-CD2 3.33Å; N482-L486 WeakPolarHBondContact ND2-CD2 3.22Å; N482-L486 WeakPolarHBondContact ND2-CG 3.37Å
483	R	64.9	Low	54.9	Low	231 Å²	231	135.8 Å²	135.8	87%	0.872	73%	0.733	S	S	*	*			trans	-93.4	-3.1	-179	-60.4	-177.3	94.2	146.3	3.7	113.8	E481	E481-R483 PolarHBondContact O-N 3.09Å; E481-R483 VanDerWaalsContact O-N 3.07Å
484	T	63.5	Low	55.3	Low	100 Å²	100	134.4 Å²	134.4	61%	0.613	73%	0.732	S	S	*	*	S	Bend	trans	-98.9	133.6	173.3	45.4	0	0	0	0	109.2	N482 L486	N482-T484 PolarHBondContact OD1-O 3.24Å; N482-T484 PolarHBondContact OD1-OG1 2.9Å; N482-T484 VanDerWaalsContact OD1-OG1 3.07Å; T484-L486 PolarHBondContact O-N 2.89Å; T484-L486 VanDerWaalsContact O-N 3.12Å
485	P	64.4	Low	55.4	Low	122 Å²	122	136 Å²	136	79%	0.792	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-55.5	125.4	175.4	24.2	-32	0	0	0	108.1
486	L	69.9	Low	55.1	Low	135 Å²	135	140.7 Å²	140.7	71%	0.707	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-53.8	131.4	170.6	-74.1	159.7	0	0	0	107.3	N482 T484 N488	N482-L486 VanDerWaalsContact ND2-CD2 3.33Å; N482-L486 WeakPolarHBondContact ND2-CD2 3.22Å; N482-L486 WeakPolarHBondContact ND2-CG 3.37Å; T484-L486 PolarHBondContact O-N 2.89Å; T484-L486 VanDerWaalsContact O-N 3.12Å; L486-N488 PolarHBondContact O-N 3.46Å
487	P	68.5	Low	54.6	Low	113 Å²	113	140 Å²	140	73%	0.734	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-54.8	129.9	179.9	20.9	-30.7	0	0	0	108.5	P489	P487-P489 WeakPolarHBondContact O-CD 3.39Å
488	N	59.3	Low	53.9	Low	90 Å²	90	141.5 Å²	141.5	48%	0.481	75%	0.751	S	S	.	*			trans	-54.3	110.9	-176.1	176.7	10.1	0	0	0	109.6	L486 W490 A491	L486-N488 PolarHBondContact O-N 3.46Å; N488-W490 PolarHBondContact O-N 3.21Å; N488-W490 WeakPolarHBondContact OD1-CA 3.39Å; N488-W490 VanDerWaalsContact OD1-CB 3.32Å; N488-W490 WeakPolarHBondContact OD1-CB 3.29Å; N488-W490 VanDerWaalsContact OD1-CE3 3.3Å; N488-W490 PolarHBondContact OD1-N 2.83Å; N488-A491 HydrophobicContact CB-CB 4.04Å; N488-A491 PolarHBondContact ND2-N 2.7Å; N488-A491 WeakPolarHBondContact O-CB 3.45Å; N488-A491 PolarHBondContact O-N 3.2Å
489	P	61.5	Low	53.6	Low	106 Å²	106	144.8 Å²	144.8	69%	0.688	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	-12.3	-179.5	29.6	-33.9	0	0	0	112.1	P487	P487-P489 WeakPolarHBondContact O-CD 3.39Å
490	W	65.7	Low	52.5	Low	205 Å²	205	148.2 Å²	148.2	78%	0.777	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	-0	174.5	-51.7	-63.9	0	0	0	113.6	N488	N488-W490 PolarHBondContact O-N 3.21Å; N488-W490 WeakPolarHBondContact OD1-CA 3.39Å; N488-W490 VanDerWaalsContact OD1-CB 3.32Å; N488-W490 WeakPolarHBondContact OD1-CB 3.29Å; N488-W490 VanDerWaalsContact OD1-CE3 3.3Å; N488-W490 PolarHBondContact OD1-N 2.83Å
491	A	64.1	Low	51.6	Low	50 Å²	50	143 Å²	143	41%	0.413	75%	0.747	S	S	.	*	S	Bend	trans	-69.6	135.1	171.2	0	0	0	0	0	109.1	N488 R493	N488-A491 HydrophobicContact CB-CB 4.04Å; N488-A491 PolarHBondContact ND2-N 2.7Å; N488-A491 WeakPolarHBondContact O-CB 3.45Å; N488-A491 PolarHBondContact O-N 3.2Å; A491-R493 PolarHBondContact O-N 2.79Å
492	P	54.9	Low	50.8	Low	125 Å²	125	139.8 Å²	139.8	81%	0.812	74%	0.741	S	S	*	*			trans	-58.3	115.4	174.4	23.1	-30.9	0	0	0	108.9	N494	P492-N494 PolarHBondContact O-N 2.79Å
493	R	48.2	Very low	49.3	Very low	228 Å²	228	144.8 Å²	144.8	86%	0.86	76%	0.759	S	S	*	*			trans	-70.4	91.9	179.4	-160.3	178	-161.7	173.2	3.7	108.2	A491 E495	A491-R493 PolarHBondContact O-N 2.79Å; R493-E495 PolarHBondContact O-N 3.34Å; R493-E495 VanDerWaalsContact O-N 3.16Å
494	N	44.2	Very low	47.7	Very low	165 Å²	165	138 Å²	138	88%	0.882	75%	0.752	S	S	*	*			trans	-73.2	100.7	171.4	-122.3	9.2	0	0	0	108	P492 R496	P492-N494 PolarHBondContact O-N 2.79Å; N494-R496 PolarHBondContact O-N 3.02Å
495	E	37.8	Very low	46	Very low	162 Å²	162	140.7 Å²	140.7	76%	0.757	76%	0.763	S	S	*	*			trans	-77	101.4	169.7	-72.3	-179.6	168.4	0	0	109.2	R493	R493-E495 PolarHBondContact O-N 3.34Å; R493-E495 VanDerWaalsContact O-N 3.16Å
496	R	34.8	Very low	44.5	Very low	243 Å²	243	139.9 Å²	139.9	92%	0.917	76%	0.76	S	S	*	*			trans	177	134.9	140.7	-97.9	159.1	-174.3	-176.1	1.4	112.9	N494	N494-R496 PolarHBondContact O-N 3.02Å
497	A	34.2	Very low	42.6	Very low	97 Å²	97	138.4 Å²	138.4	80%	0.802	76%	0.761	S	S	*	*			trans	74.2	95.3	152.4	0	0	0	0	0	119.2
498	V	35.2	Very low	40.9	Very low	134 Å²	134	138.7 Å²	138.7	81%	0.812	77%	0.766	S	S	*	*			trans	-28	123	132.7	-179.6	0	0	0	0	112.3
499	Q	35.4	Very low	39.5	Very low	179 Å²	179	142.6 Å²	142.6	84%	0.836	79%	0.786	S	S	*	*			trans	173.1	116.9	133.3	-94.7	165.3	23.4	0	0	111.5
500	N	33.4	Very low	38	Very low	157 Å²	157	145.1 Å²	145.1	84%	0.84	79%	0.793	S	S	*	*			trans	25.3	110.8	146.8	-67.5	-12.3	0	0	0	120.7
501	A	32.7	Very low	36.4	Very low	96 Å²	96	140.4 Å²	140.4	79%	0.793	79%	0.792	S	S	*	*			trans	58.1	164.6	133.3	0	0	0	0	0	119.4
502	P	32.5	Very low	34.9	Very low	104 Å²	104	141.4 Å²	141.4	68%	0.675	81%	0.807	S	S	*	*				-107.9	173	-104.5	23.5	-2.9	0	0	0	113.7
503	F	30.2	Very low	34	Very low	198 Å²	198	144.8 Å²	144.8	87%	0.868	81%	0.809	S	S	*	*			trans	96.3	119.9	166.2	-63	-83.1	0	0	0	118.5
504	A	32.4	Very low	33.1	Very low	89 Å²	89	139.8 Å²	139.8	74%	0.736	80%	0.804	S	S	*	*			trans	65.8	119.6	139.3	0	0	0	0	0	121.2
505	D	27.8	Very low	32.5	Very low	157 Å²	157	139.5 Å²	139.5	84%	0.84	80%	0.802	S	S	*	*			trans	69.1	126.7	139.9	-83.6	-21.3	0	0	0	123.5
506	S	32.5	Very low	32.2	Very low	104 Å²	104	136.6 Å²	136.6	73%	0.727	80%	0.8	S	S	*	*			trans	88.4	106.8	140.7	73.1	0	0	0	0	121
507	S	29.4	Very low	32	Very low	105 Å²	105	131.8 Å²	131.8	73%	0.734	80%	0.798	S	S	*	*			trans	46.2	119.8	130.1	62.7	0	0	0	0	121.6
508	S	33	Very low	31.9	Very low	118 Å²	118	133.5 Å²	133.5	83%	0.825	80%	0.799	S	S	*	*				164.3	146.8	111.1	54.1	0	0	0	0	113
509	L	28.9	Very low	32	Very low	173 Å²	173	132 Å²	132	91%	0.906	79%	0.794	S	S	*	*			trans	-74.1	150.6	-177.9	-69	78.8	0	0	0	112.6
510	D	31.6	Very low	32	Very low	158 Å²	158	127.4 Å²	127.4	85%	0.845	79%	0.787	S	S	*	*				-171.3	162.6	117.9	-158	11	0	0	0	112.2
511	S	31	Very low	32.1	Very low	107 Å²	107	123.3 Å²	123.3	75%	0.748	77%	0.767	S	S	*	*			trans	-126.6	154.9	-153.7	56.6	0	0	0	0	111.7
512	G	32.3	Very low	32.3	Very low	71 Å²	71	121.7 Å²	121.7	73%	0.732	75%	0.754	S	S	*	*			trans	164.1	109.8	164.4	0	0	0	0	0	118.6
513	K	37.2	Very low	32.5	Very low	196 Å²	196	122.9 Å²	122.9	85%	0.852	75%	0.75	S	S	*	*			trans	65.9	106.5	147	-67.7	173.5	173	173.3	0	119
514	T	28.6	Very low	32.7	Very low	122 Å²	122	115 Å²	115	75%	0.748	73%	0.725	S	S	*	*				66	112.5	68.7	67.4	0	0	0	0	115.3
515	D	31.1	Very low	32.9	Very low	159 Å²	159	118.1 Å²	118.1	85%	0.85	72%	0.719	S	S	*	*			trans	-165.2	132.4	131	-93.8	-21.9	0	0	0	114.3
516	S	32.5	Very low	33.4	Very low	102 Å²	102	116.8 Å²	116.8	71%	0.713	71%	0.708	S	S	*	*			trans	51.4	85.8	149	71.8	0	0	0	0	122.9
517	T	30.6	Very low	33.9	Very low	141 Å²	141	115.5 Å²	115.5	87%	0.865	69%	0.693	S	S	*	*			trans	-154.8	67.6	146.6	54.9	0	0	0	0	111.3
518	T	31.9	Very low	35	Very low	134 Å²	134	112.5 Å²	112.5	82%	0.822	67%	0.67	S	S	*	*			trans	-109.2	8.3	-174.9	31.8	0	0	0	0	115.9
519	S	37.7	Very low	35.8	Very low	103 Å²	103	110.6 Å²	110.6	72%	0.72	65%	0.654	S	S	*	*	S	Bend	trans	-89.2	-25.8	-176.2	-176.9	0	0	0	0	116
520	A	35.2	Very low	37.1	Very low	82 Å²	82	105.3 Å²	105.3	68%	0.678	63%	0.626	S	S	*	*	H	α-helix	trans	-85.3	-20.6	-172.6	0	0	0	0	0	114	A522	A520-A522 PolarHBondContact O-N 2.79Å
521	V	35.8	Very low	38.1	Very low	71 Å²	71	99.3 Å²	99.3	43%	0.43	59%	0.594	S	S	.	*	H	α-helix	trans	-72.8	-29.1	-175.5	171.7	0	0	0	0	112.2	Y525	V521-Y525 HydrophobicContact CG1-CD2 4.46Å; V521-Y525 HydrophobicContact CG1-CE2 4.04Å; V521-Y525 WeakPolarHBondContact O-CD2 3.44Å
522	A	36.7	Very low	39.1	Very low	62 Å²	62	98.2 Å²	98.2	51%	0.512	58%	0.577	S	S	.	*	H	α-helix	trans	-67.6	-39.7	-178.6	0	0	0	0	0	113.1	A520 G524 Y525	A520-A522 PolarHBondContact O-N 2.79Å; A522-G524 VanDerWaalsContact C-N 3.28Å; A522-G524 PolarHBondContact O-N 2.8Å; A522-Y525 PolarHBondContact O-N 2.85Å
523	Q	36.5	Very low	40.5	Very low	128 Å²	128	99.5 Å²	99.5	60%	0.598	57%	0.57	S	S	*	*	H	α-helix	trans	-66.3	-29.5	-178.8	-70.3	-179.1	-13.6	0	0	112.9	Y525 E526 N527	Q523-Y525 VanDerWaalsContact C-N 3.31Å; Q523-Y525 PolarHBondContact O-N 2.87Å; Q523-E526 PolarHBondContact O-N 2.85Å; Q523-N527 PolarHBondContact O-N 3.45Å
524	G	34.5	Very low	41.4	Very low	34 Å²	34	91.7 Å²	91.7	35%	0.351	54%	0.538	S	S	.	.	H	α-helix	trans	-67.5	-28.9	178.3	0	0	0	0	0	113.8	A522	A522-G524 VanDerWaalsContact C-N 3.28Å; A522-G524 PolarHBondContact O-N 2.8Å
525	Y	37.1	Very low	42.8	Very low	153 Å²	153	87 Å²	87	60%	0.6	51%	0.508	S	S	*	.	H	α-helix	trans	-77.6	-33.8	177.1	-78.7	-83.4	0	0	0	112.2	V521 A522 Q523 V528 T529	V521-Y525 HydrophobicContact CG1-CD2 4.46Å; V521-Y525 HydrophobicContact CG1-CE2 4.04Å; V521-Y525 WeakPolarHBondContact O-CD2 3.44Å; A522-Y525 PolarHBondContact O-N 2.85Å; Q523-Y525 VanDerWaalsContact C-N 3.31Å; Q523-Y525 PolarHBondContact O-N 2.87Å; Y525-V528 PolarHBondContact O-N 3.1Å; Y525-T529 PolarHBondContact O-N 3.05Å; Y525-T529 PolarHBondContact O-OG1 3.17Å
526	E	38.2	Very low	44.5	Very low	129 Å²	129	88.7 Å²	88.7	60%	0.603	50%	0.503	S	S	*	.	H	α-helix	trans	-67	-36.9	177	-69.1	-179.1	160.6	0	0	112	Q523 V528 T529 L530	Q523-E526 PolarHBondContact O-N 2.85Å; E526-V528 VanDerWaalsContact C-N 3.32Å; E526-V528 PolarHBondContact O-N 3.38Å; E526-T529 PolarHBondContact O-N 2.99Å; E526-T529 PolarHBondContact O-OG1 2.83Å; E526-L530 WeakPolarHBondContact O-CB 3.26Å; E526-L530 PolarHBondContact O-N 2.96Å
527	N	42.2	Very low	45.7	Very low	78 Å²	78	87.8 Å²	87.8	42%	0.417	49%	0.49	S	S	.	.	H	α-helix	trans	-68.8	-30.1	179.6	-69.5	-5.2	0	0	0	113	Q523 L531 E587	Q523-N527 PolarHBondContact O-N 3.45Å; N527-L531 PolarHBondContact O-N 3Å; N527-L531 VanDerWaalsContact O-N 3.15Å; N527-E587 PolarHBondContact OD1-OE2 3.23Å
528	V	51.8	Low	47.5	Very low	41 Å²	41	90.6 Å²	90.6	25%	0.248	48%	0.484	C	S	.	.	H	α-helix	trans	-74.4	-41.2	177.4	177.5	0	0	0	0	111.1	Y525 E526 L530 L531 E532 L651 L655	Y525-V528 PolarHBondContact O-N 3.1Å; E526-V528 VanDerWaalsContact C-N 3.32Å; E526-V528 PolarHBondContact O-N 3.38Å; V528-L530 VanDerWaalsContact C-N 3.32Å; V528-L531 PolarHBondContact O-N 3.24Å; V528-E532 PolarHBondContact O-N 3.42Å; V528-L651 HydrophobicContact CG1-CD2 4.07Å; V528-L655 HydrophobicContact CG2-CD1 4.1Å
529	T	51.5	Low	48.8	Very low	79 Å²	79	94 Å²	94	49%	0.485	48%	0.482	S	S	.	.	H	α-helix	trans	-68.1	-34.3	177.4	53.5	0	0	0	0	111.7	Y525 E526 E532 T533	Y525-T529 PolarHBondContact O-N 3.05Å; Y525-T529 PolarHBondContact O-OG1 3.17Å; E526-T529 PolarHBondContact O-N 2.99Å; E526-T529 PolarHBondContact O-OG1 2.83Å; T529-E532 PolarHBondContact O-N 3.29Å; T529-T533 WeakPolarHBondContact O-CB 3.45Å; T529-T533 PolarHBondContact O-N 3.42Å; T529-T533 PolarHBondContact O-OG1 2.9Å
530	L	54.7	Low	50.2	Low	61 Å²	61	90.4 Å²	90.4	32%	0.319	45%	0.454	S	S	.	.	H	α-helix	trans	-65.6	-43.3	173.8	-140.6	162.3	0	0	0	111.1	E526 V528 E532 T533 L534	E526-L530 WeakPolarHBondContact O-CB 3.26Å; E526-L530 PolarHBondContact O-N 2.96Å; V528-L530 VanDerWaalsContact C-N 3.32Å; L530-E532 PolarHBondContact O-N 2.99Å; L530-T533 PolarHBondContact O-N 3.37Å; L530-L534 HydrophobicContact CD2-CD1 3.64Å; L530-L534 HydrophobicContact CD2-CG 4.01Å; L530-L534 WeakPolarHBondContact O-CB 3.32Å; L530-L534 WeakPolarHBondContact O-CG 3.47Å; L530-L534 PolarHBondContact O-N 3.21Å
531	L	52.5	Low	51.6	Low	33 Å²	33	89.9 Å²	89.9	17%	0.173	43%	0.434	C	S	.	.	H	α-helix	trans	-63	-41	174.7	-151.5	94.3	0	0	0	111.7	N527 V528 T533 L534 L535 L591	N527-L531 PolarHBondContact O-N 3Å; N527-L531 VanDerWaalsContact O-N 3.15Å; V528-L531 PolarHBondContact O-N 3.24Å; L531-T533 VanDerWaalsContact C-N 3.33Å; L531-T533 PolarHBondContact O-N 3.08Å; L531-L534 PolarHBondContact O-N 3.01Å; L531-L535 HydrophobicContact CD2-CD1 3.73Å; L531-L535 HydrophobicContact CG-CD1 3.95Å; L531-L535 VanDerWaalsContact O-CB 3.26Å; L531-L535 WeakPolarHBondContact O-CB 3.41Å; L531-L535 WeakPolarHBondContact O-CD1 3.26Å; L531-L535 WeakPolarHBondContact O-CG 3.41Å; L531-L535 PolarHBondContact O-N 2.94Å; L531-L591 HydrophobicContact CD1-CD1 4.35Å
532	E	52.3	Low	52.9	Low	84 Å²	84	91.5 Å²	91.5	39%	0.393	44%	0.437	S	S	.	.	H	α-helix	trans	-64	-39.1	176	-156.2	-172.4	158	0	0	111.5	V528 T529 L530 L535 R536	V528-E532 PolarHBondContact O-N 3.42Å; T529-E532 PolarHBondContact O-N 3.29Å; L530-E532 PolarHBondContact O-N 2.99Å; E532-L535 PolarHBondContact O-N 3.42Å; E532-R536 WeakPolarHBondContact O-CB 3.48Å; E532-R536 WeakPolarHBondContact O-CG 3.36Å; E532-R536 PolarHBondContact O-N 3.4Å; E532-R536 IonicContact OE1-CZ 3.15Å; E532-R536 IonicContact OE1-NE 3.66Å; E532-R536 IonicContact OE1-NH2 3.15Å; E532-R536 PolarHBondContact OE1-NH2 3.39Å
533	T	62.9	Low	54.2	Low	98 Å²	98	92 Å²	92	60%	0.601	43%	0.431	S	S	*	.	H	α-helix	trans	-68.2	-40.5	177.2	-52.7	0	0	0	0	111.5	T529 L530 L531 N537	T529-T533 WeakPolarHBondContact O-CB 3.45Å; T529-T533 PolarHBondContact O-N 3.42Å; T529-T533 PolarHBondContact O-OG1 2.9Å; L530-T533 PolarHBondContact O-N 3.37Å; L531-T533 VanDerWaalsContact C-N 3.33Å; L531-T533 PolarHBondContact O-N 3.08Å; T533-N537 PolarHBondContact O-N 3.02Å
534	L	55.1	Low	55.4	Low	32 Å²	32	86.1 Å²	86.1	17%	0.168	40%	0.403	C	S	.	.	H	α-helix	trans	-68	-42.9	174.8	-75.4	170.2	0	0	0	111.8	L530 L531 R536 N537 F540 L591	L530-L534 HydrophobicContact CD2-CD1 3.64Å; L530-L534 HydrophobicContact CD2-CG 4.01Å; L530-L534 WeakPolarHBondContact O-CB 3.32Å; L530-L534 WeakPolarHBondContact O-CG 3.47Å; L530-L534 PolarHBondContact O-N 3.21Å; L531-L534 PolarHBondContact O-N 3.01Å; L534-R536 VanDerWaalsContact C-N 3.31Å; L534-R536 PolarHBondContact O-N 3.39Å; L534-N537 WeakPolarHBondContact O-CB 3.43Å; L534-N537 PolarHBondContact O-N 3.43Å; L534-F540 HydrophobicContact CB-CD1 4.22Å; L534-F540 HydrophobicContact CB-CE1 4.33Å; L534-F540 HydrophobicContact CB-CG 4.36Å; L534-F540 HydrophobicContact CD2-CD2 4.18Å; L534-F540 HydrophobicContact CD2-CG 4.49Å; L534-F540 WeakPolarHBondContact O-CB 3.38Å; L534-F540 WeakPolarHBondContact O-CD1 3.5Å; L534-L591 HydrophobicContact CD1-CD2 4.02Å
535	L	58.3	Low	56.7	Low	24 Å²	24	90.2 Å²	90.2	13%	0.126	41%	0.413	C	S	.	.	H	α-helix	trans	-68.8	-28.2	178.9	-73.8	164.4	0	0	0	112.7	L531 E532 N537 R541 L608 I611	L531-L535 HydrophobicContact CD2-CD1 3.73Å; L531-L535 HydrophobicContact CG-CD1 3.95Å; L531-L535 VanDerWaalsContact O-CB 3.26Å; L531-L535 WeakPolarHBondContact O-CB 3.41Å; L531-L535 WeakPolarHBondContact O-CD1 3.26Å; L531-L535 WeakPolarHBondContact O-CG 3.41Å; L531-L535 PolarHBondContact O-N 2.94Å; E532-L535 PolarHBondContact O-N 3.42Å; L535-N537 VanDerWaalsContact C-N 3.29Å; L535-R541 WeakPolarHBondContact O-CD 3.38Å; L535-L608 HydrophobicContact CD2-CD1 4.01Å; L535-L608 HydrophobicContact CD2-CD2 3.77Å; L535-L608 HydrophobicContact CD2-CG 3.7Å; L535-I611 HydrophobicContact CD1-CD1 4.11Å
536	R	65.8	Low	57.8	Low	194 Å²	194	91 Å²	91	73%	0.732	42%	0.415	S	S	*	.	H	α-helix	trans	-71.3	-23	169.6	-79.5	-177.7	-167.8	-147.8	5.7	113	E532 L534 R538	E532-R536 WeakPolarHBondContact O-CB 3.48Å; E532-R536 WeakPolarHBondContact O-CG 3.36Å; E532-R536 PolarHBondContact O-N 3.4Å; E532-R536 IonicContact OE1-CZ 3.15Å; E532-R536 IonicContact OE1-NE 3.66Å; E532-R536 IonicContact OE1-NH2 3.15Å; E532-R536 PolarHBondContact OE1-NH2 3.39Å; L534-R536 VanDerWaalsContact C-N 3.31Å; L534-R536 PolarHBondContact O-N 3.39Å; R536-R538 PolarHBondContact O-N 3.12Å
537	N	59.6	Low	58.6	Low	83 Å²	83	86.1 Å²	86.1	44%	0.444	39%	0.392	S	S	.	.			trans	-75.6	112.7	-177.5	-160.9	-25.6	0	0	0	110.9	T533 L534 L535 R539 F540 R541	T533-N537 PolarHBondContact O-N 3.02Å; L534-N537 WeakPolarHBondContact O-CB 3.43Å; L534-N537 PolarHBondContact O-N 3.43Å; L535-N537 VanDerWaalsContact C-N 3.29Å; N537-R539 PolarHBondContact O-N 3.15Å; N537-R539 PolarHBondContact OD1-N 3.16Å; N537-F540 HydrophobicContact CB-CB 4.08Å; N537-F540 WeakPolarHBondContact O-CB 3.38Å; N537-F540 PolarHBondContact O-N 3.01Å; N537-R541 PolarHBondContact O-N 2.84Å
538	R	67.2	Low	59.4	Low	199 Å²	199	84 Å²	84	75%	0.751	39%	0.385	S	S	*	.	H	α-helix	trans	-55.9	-37.5	-178.3	-161.7	-172.5	-122.5	-144.6	3.8	112.3	R536 R541 E542	R536-R538 PolarHBondContact O-N 3.12Å; R538-R541 PolarHBondContact O-N 3.09Å; R538-E542 PolarHBondContact O-N 2.81Å
539	R	59.3	Low	60.2	Low	205 Å²	205	88.8 Å²	88.8	77%	0.774	41%	0.409	S	S	*	.	H	α-helix	trans	-66.2	-38.1	176.9	-71.7	-168	175.7	-174.5	0.3	112.2	N537 L543	N537-R539 PolarHBondContact O-N 3.15Å; N537-R539 PolarHBondContact OD1-N 3.16Å; R539-L543 VanDerWaalsContact O-CB 3.22Å; R539-L543 WeakPolarHBondContact O-CB 3.49Å; R539-L543 PolarHBondContact O-N 3.16Å
540	F	67.2	Low	60.5	Low	29 Å²	29	89 Å²	89	13%	0.127	41%	0.407	C	S	.	.	H	α-helix	trans	-67.6	-42.3	174.9	-177.2	-96.6	0	0	0	110.4	L534 N537 E542 L543 F544	L534-F540 HydrophobicContact CB-CD1 4.22Å; L534-F540 HydrophobicContact CB-CE1 4.33Å; L534-F540 HydrophobicContact CB-CG 4.36Å; L534-F540 HydrophobicContact CD2-CD2 4.18Å; L534-F540 HydrophobicContact CD2-CG 4.49Å; L534-F540 WeakPolarHBondContact O-CB 3.38Å; L534-F540 WeakPolarHBondContact O-CD1 3.5Å; N537-F540 HydrophobicContact CB-CB 4.08Å; N537-F540 WeakPolarHBondContact O-CB 3.38Å; N537-F540 PolarHBondContact O-N 3.01Å; F540-E542 PolarHBondContact O-N 2.83Å; F540-L543 PolarHBondContact O-N 2.88Å; F540-F544 HydrophobicContact CE1-CB 4.46Å; F540-F544 HydrophobicContact CE1-CD2 4.03Å; F540-F544 HydrophobicContact CE1-CG 4.49Å; F540-F544 AromaticContact CZ-CD2 3.82Å; F540-F544 HydrophobicContact CZ-CD2 3.82Å; F540-F544 HydrophobicContact CZ-CE2 4.42Å; F540-F544 WeakPolarHBondContact O-CB 3.43Å; F540-F544 PolarHBondContact O-N 2.91Å
541	R	64.6	Low	60.8	Low	71 Å²	71	88.3 Å²	88.3	27%	0.268	42%	0.415	S	S	.	.	H	α-helix	trans	-59.6	-45.9	174.2	-73	-178.8	105.1	172.7	2.2	112.2	L535 N537 R538 F544 H545 M615	L535-R541 WeakPolarHBondContact O-CD 3.38Å; N537-R541 PolarHBondContact O-N 2.84Å; R538-R541 PolarHBondContact O-N 3.09Å; R541-F544 PolarHBondContact O-N 2.79Å; R541-H545 WeakPolarHBondContact O-CB 3.4Å; R541-H545 PolarHBondContact O-N 2.83Å; R541-M615 PolarHBondContact NH1-SD 2.86Å; R541-M615 VanDerWaalsContact NH1-SD 3.42Å; R541-M615 VanDerWaalsContact NH2-CE 3.28Å; R541-M615 PolarHBondContact NH2-SD 3.32Å; R541-M615 VanDerWaalsContact NH2-SD 3.42Å
542	E	62.9	Low	61.3	Low	105 Å²	105	92.3 Å²	92.3	49%	0.491	43%	0.432	S	S	.	.	H	α-helix	trans	-64.8	-44.9	176.3	-83.7	177.4	177.8	0	0	112.6	R538 F540 F544 H545 R546	R538-E542 PolarHBondContact O-N 2.81Å; F540-E542 PolarHBondContact O-N 2.83Å; E542-F544 VanDerWaalsContact C-N 3.33Å; E542-F544 PolarHBondContact O-N 2.85Å; E542-H545 PolarHBondContact O-N 3.16Å; E542-R546 WeakPolarHBondContact O-CB 3.39Å; E542-R546 VanDerWaalsContact O-CG 3.26Å; E542-R546 WeakPolarHBondContact O-CG 3.37Å; E542-R546 PolarHBondContact O-N 3.4Å
543	L	63.9	Low	61.8	Low	72 Å²	72	90.7 Å²	90.7	38%	0.377	43%	0.426	S	S	.	.	H	α-helix	trans	-63.5	-41.8	177.3	-171.3	79.7	0	0	0	110.7	R539 F540 R546 M547 L557	R539-L543 VanDerWaalsContact O-CB 3.22Å; R539-L543 WeakPolarHBondContact O-CB 3.49Å; R539-L543 PolarHBondContact O-N 3.16Å; F540-L543 PolarHBondContact O-N 2.88Å; L543-R546 CarbonylContact O-C 3.57Å; L543-R546 PolarHBondContact O-N 3.33Å; L543-M547 HydrophobicContact CD2-CE 4.01Å; L543-M547 HydrophobicContact CG-CE 4.04Å; L543-M547 WeakPolarHBondContact O-CB 3.23Å; L543-M547 WeakPolarHBondContact O-CG 3.45Å; L543-M547 PolarHBondContact O-N 2.85Å; L543-L557 HydrophobicContact CD1-CD2 4.38Å; L543-L557 HydrophobicContact CD2-CD2 4.46Å
544	F	61.4	Low	61.6	Low	4 Å²	4	88.5 Å²	88.5	2%	0.018	41%	0.407	C	S	.	.	H	α-helix	trans	-67.4	-39.9	177.7	-159.1	-85	0	0	0	111.3	F540 R541 E542 R546 M547 A548 L595 F601 L604 L608	F540-F544 HydrophobicContact CE1-CB 4.46Å; F540-F544 HydrophobicContact CE1-CD2 4.03Å; F540-F544 HydrophobicContact CE1-CG 4.49Å; F540-F544 AromaticContact CZ-CD2 3.82Å; F540-F544 HydrophobicContact CZ-CD2 3.82Å; F540-F544 HydrophobicContact CZ-CE2 4.42Å; F540-F544 WeakPolarHBondContact O-CB 3.43Å; F540-F544 PolarHBondContact O-N 2.91Å; R541-F544 PolarHBondContact O-N 2.79Å; E542-F544 VanDerWaalsContact C-N 3.33Å; E542-F544 PolarHBondContact O-N 2.85Å; F544-R546 VanDerWaalsContact C-N 3.34Å; F544-M547 HydrophobicContact CD2-CE 4.28Å; F544-M547 PolarHBondContact O-N 3.12Å; F544-A548 VanDerWaalsContact O-CB 3.27Å; F544-A548 WeakPolarHBondContact O-CB 3.49Å; F544-A548 PolarHBondContact O-N 3.38Å; F544-L595 HydrophobicContact CE2-CD1 4.49Å; F544-L595 HydrophobicContact CE2-CD2 3.61Å; F544-L595 HydrophobicContact CZ-CD2 4.04Å; F544-F601 HydrophobicContact CE1-CD2 4.37Å; F544-F601 AromaticContact CE1-CE2 3.74Å; F544-F601 HydrophobicContact CE1-CE2 3.74Å; F544-F601 HydrophobicContact CE1-CZ 4.37Å; F544-F601 HydrophobicContact CE2-CD2 4.39Å; F544-F601 HydrophobicContact CE2-CE2 4.2Å; F544-F601 AromaticContact CZ-CD2 3.73Å; F544-F601 HydrophobicContact CZ-CD2 3.73Å; F544-F601 AromaticContact CZ-CE2 3.49Å; F544-F601 HydrophobicContact CZ-CE2 3.49Å; F544-F601 VanDerWaalsContact CZ-CE2 3.49Å; F544-F601 HydrophobicContact CZ-CZ 4.5Å; F544-L604 HydrophobicContact CE2-CD2 3.9Å; F544-L604 HydrophobicContact CZ-CB 4.1Å; F544-L604 HydrophobicContact CZ-CD2 3.8Å; F544-L608 HydrophobicContact CD1-CD1 3.35Å; F544-L608 HydrophobicContact CE1-CD1 3.48Å; F544-L608 VanDerWaalsContact CE1-CD1 3.48Å; F544-L608 HydrophobicContact CG-CD1 3.97Å; F544-L608 HydrophobicContact CZ-CD1 4.19Å
545	H	62.4	Low	61.6	Low	121 Å²	121	92.4 Å²	92.4	56%	0.56	42%	0.423	S	S	*	.	H	α-helix	trans	-61.9	-42.5	171.3	-123.8	54.4	0	0	0	111.4	R541 E542 A548 L549	R541-H545 WeakPolarHBondContact O-CB 3.4Å; R541-H545 PolarHBondContact O-N 2.83Å; E542-H545 PolarHBondContact O-N 3.16Å; H545-A548 PolarHBondContact O-N 3.3Å; H545-L549 WeakPolarHBondContact O-CB 3.34Å; H545-L549 VanDerWaalsContact O-CG 3.32Å; H545-L549 WeakPolarHBondContact O-CG 3.34Å; H545-L549 PolarHBondContact O-N 2.92Å
546	R	60.3	Low	61.5	Low	168 Å²	168	97.4 Å²	97.4	63%	0.634	44%	0.443	S	S	*	.	H	α-helix	trans	-67.1	-34.3	176.1	-73.8	179.2	179.7	-152.3	1.3	112.4	E542 L543 F544 N550 L553	E542-R546 WeakPolarHBondContact O-CB 3.39Å; E542-R546 VanDerWaalsContact O-CG 3.26Å; E542-R546 WeakPolarHBondContact O-CG 3.37Å; E542-R546 PolarHBondContact O-N 3.4Å; L543-R546 CarbonylContact O-C 3.57Å; L543-R546 PolarHBondContact O-N 3.33Å; F544-R546 VanDerWaalsContact C-N 3.34Å; R546-N550 WeakPolarHBondContact O-CB 3.5Å; R546-N550 PolarHBondContact O-N 2.84Å; R546-L553 HydrophobicContact CB-CD2 3.85Å
547	M	54.2	Low	60.7	Low	27 Å²	27	90.7 Å²	90.7	13%	0.133	42%	0.422	C	S	.	.	H	α-helix	trans	-72.8	-34.1	173.2	-77.6	-169.1	-70.9	0	0	112.2	L543 F544 L553	L543-M547 HydrophobicContact CD2-CE 4.01Å; L543-M547 HydrophobicContact CG-CE 4.04Å; L543-M547 WeakPolarHBondContact O-CB 3.23Å; L543-M547 WeakPolarHBondContact O-CG 3.45Å; L543-M547 PolarHBondContact O-N 2.85Å; F544-M547 HydrophobicContact CD2-CE 4.28Å; F544-M547 PolarHBondContact O-N 3.12Å; M547-L553 HydrophobicContact CG-CD2 4.47Å
548	A	60.4	Low	60.2	Low	33 Å²	33	89.5 Å²	89.5	27%	0.273	42%	0.415	S	S	.	.	H	α-helix	trans	-73.2	-37.8	178.9	0	0	0	0	0	112.9	F544 H545 F601	F544-A548 VanDerWaalsContact O-CB 3.27Å; F544-A548 WeakPolarHBondContact O-CB 3.49Å; F544-A548 PolarHBondContact O-N 3.38Å; H545-A548 PolarHBondContact O-N 3.3Å; A548-F601 HydrophobicContact CB-CZ 3.79Å
549	L	67.7	Low	59.4	Low	142 Å²	142	86.2 Å²	86.2	74%	0.743	41%	0.408	S	S	*	.	H	α-helix	trans	-80.6	-17.4	179	-68.8	167.1	0	0	0	113.2	H545	H545-L549 WeakPolarHBondContact O-CB 3.34Å; H545-L549 VanDerWaalsContact O-CG 3.32Å; H545-L549 WeakPolarHBondContact O-CG 3.34Å; H545-L549 PolarHBondContact O-N 2.92Å
550	N	57.4	Low	58.9	Low	84 Å²	84	80.6 Å²	80.6	45%	0.449	40%	0.4	S	S	.	.			trans	-133.2	88.8	-166.9	-145.3	-14.3	0	0	0	110.5	R546 E552 L553 R554	R546-N550 WeakPolarHBondContact O-CB 3.5Å; R546-N550 PolarHBondContact O-N 2.84Å; N550-E552 PolarHBondContact O-N 3.44Å; N550-L553 HydrophobicContact CB-CB 3.76Å; N550-L553 WeakPolarHBondContact O-CB 3.46Å; N550-L553 PolarHBondContact O-N 2.99Å; N550-R554 PolarHBondContact O-N 2.82Å
551	G	61.9	Low	57.6	Low	46 Å²	46	84.4 Å²	84.4	47%	0.474	43%	0.426	S	S	.	.	H	α-helix	trans	-57.6	-31.3	179.1	0	0	0	0	0	113.2	R554 K555	G551-R554 WeakPolarHBondContact O-CB 3.48Å; G551-R554 PolarHBondContact O-N 2.91Å; G551-K555 WeakPolarHBondContact O-CG 3.29Å; G551-K555 PolarHBondContact O-N 2.98Å
552	E	62.5	Low	56.1	Low	117 Å²	117	84.7 Å²	84.7	55%	0.547	44%	0.438	S	S	.	.	H	α-helix	trans	-67.3	-43.1	171.7	-92.8	-123.2	169.4	0	0	112.9	N550 R554 K555 K556	N550-E552 PolarHBondContact O-N 3.44Å; E552-R554 VanDerWaalsContact C-N 3.28Å; E552-R554 PolarHBondContact O-N 3.41Å; E552-K555 PolarHBondContact O-N 3.14Å; E552-K556 WeakPolarHBondContact O-CB 3.43Å; E552-K556 WeakPolarHBondContact O-CG 3.44Å; E552-K556 PolarHBondContact O-N 2.65Å; E552-K556 IonicContact OE2-NZ 2.75Å; E552-K556 PolarHBondContact OE2-NZ 3.35Å
553	L	63.6	Low	54.5	Low	51 Å²	51	88.1 Å²	88.1	27%	0.267	45%	0.454	S	S	.	.	H	α-helix	trans	-65.8	-38.4	175.5	-166.2	86.3	0	0	0	110.1	R546 M547 N550 K556 L557	R546-L553 HydrophobicContact CB-CD2 3.85Å; M547-L553 HydrophobicContact CG-CD2 4.47Å; N550-L553 HydrophobicContact CB-CB 3.76Å; N550-L553 WeakPolarHBondContact O-CB 3.46Å; N550-L553 PolarHBondContact O-N 2.99Å; L553-K556 PolarHBondContact O-N 2.77Å; L553-L557 HydrophobicContact CD1-CD1 4.06Å; L553-L557 HydrophobicContact CD2-CD1 4.14Å; L553-L557 HydrophobicContact CG-CD1 3.69Å; L553-L557 WeakPolarHBondContact O-CB 3.38Å; L553-L557 PolarHBondContact O-N 3.42Å
554	R	57.7	Low	52.8	Low	52 Å²	52	92.4 Å²	92.4	20%	0.196	47%	0.472	C	S	.	.	H	α-helix	trans	-58.2	-50.6	173.7	-160	174.4	-160.3	-120.8	-29.2	110.4	N550 G551 E552 I558 L595 F601	N550-R554 PolarHBondContact O-N 2.82Å; G551-R554 WeakPolarHBondContact O-CB 3.48Å; G551-R554 PolarHBondContact O-N 2.91Å; E552-R554 VanDerWaalsContact C-N 3.28Å; E552-R554 PolarHBondContact O-N 3.41Å; R554-I558 HydrophobicContact CG-CD1 3.98Å; R554-I558 VanDerWaalsContact O-CB 3.27Å; R554-I558 WeakPolarHBondContact O-CB 3.42Å; R554-I558 VanDerWaalsContact O-CD1 3.23Å; R554-I558 WeakPolarHBondContact O-CD1 3.29Å; R554-I558 WeakPolarHBondContact O-CG1 3.35Å; R554-I558 PolarHBondContact O-N 3.19Å; R554-L595 PolarHBondContact NH2-O 2.93Å; R554-F601 VanDerWaalsContact CZ-CD2 3.43Å
555	K	55.8	Low	51.3	Low	114 Å²	114	97.3 Å²	97.3	50%	0.496	51%	0.505	S	S	.	.	H	α-helix	trans	-58.9	-56	172.4	-71.8	176.2	-176.9	179.7	0	110.2	G551 E552 L557 I558 H559	G551-K555 WeakPolarHBondContact O-CG 3.29Å; G551-K555 PolarHBondContact O-N 2.98Å; E552-K555 PolarHBondContact O-N 3.14Å; K555-L557 VanDerWaalsContact C-N 3.34Å; K555-L557 PolarHBondContact O-N 2.85Å; K555-I558 CarbonylContact O-C 3.57Å; K555-I558 WeakPolarHBondContact O-CA 3.22Å; K555-I558 WeakPolarHBondContact O-CB 3.32Å; K555-I558 PolarHBondContact O-N 2.88Å; K555-H559 PolarHBondContact O-N 2.82Å; K555-H559 PolarHBondContact O-ND1 2.78Å
556	K	55.1	Low	49.8	Very low	128 Å²	128	99 Å²	99	56%	0.557	52%	0.517	S	S	*	.	H	α-helix	trans	-56.3	-39.6	-178.6	-79.9	170.9	173.6	149.5	0	113.8	E552 L553 H559 S560	E552-K556 WeakPolarHBondContact O-CB 3.43Å; E552-K556 WeakPolarHBondContact O-CG 3.44Å; E552-K556 PolarHBondContact O-N 2.65Å; E552-K556 IonicContact OE2-NZ 2.75Å; E552-K556 PolarHBondContact OE2-NZ 3.35Å; L553-K556 PolarHBondContact O-N 2.77Å; K556-H559 PolarHBondContact O-N 3.06Å; K556-S560 WeakPolarHBondContact O-CB 3.34Å; K556-S560 PolarHBondContact O-N 3.16Å; K556-S560 PolarHBondContact O-OG 3.2Å; K556-S560 VanDerWaalsContact O-OG 3.07Å
557	L	49.9	Very low	48.4	Very low	54 Å²	54	96.2 Å²	96.2	28%	0.283	52%	0.523	S	S	.	.	H	α-helix	trans	-75	-34.6	175.7	-100.5	101.5	0	0	0	113.2	L543 L553 K555 H559 S560 T561	L543-L557 HydrophobicContact CD1-CD2 4.38Å; L543-L557 HydrophobicContact CD2-CD2 4.46Å; L553-L557 HydrophobicContact CD1-CD1 4.06Å; L553-L557 HydrophobicContact CD2-CD1 4.14Å; L553-L557 HydrophobicContact CG-CD1 3.69Å; L553-L557 WeakPolarHBondContact O-CB 3.38Å; L553-L557 PolarHBondContact O-N 3.42Å; K555-L557 VanDerWaalsContact C-N 3.34Å; K555-L557 PolarHBondContact O-N 2.85Å; L557-H559 PolarHBondContact O-N 3.41Å; L557-S560 WeakPolarHBondContact CA-OG 3.27Å; L557-T561 PolarHBondContact O-N 3.17Å; L557-T561 PolarHBondContact O-OG1 3.13Å
558	I	48.8	Very low	47.3	Very low	57 Å²	57	102.7 Å²	102.7	29%	0.292	56%	0.558	S	S	.	*	H	α-helix	trans	-62.6	-37	171.7	-70.5	165.3	0	0	0	109.8	R554 K555 Q596	R554-I558 HydrophobicContact CG-CD1 3.98Å; R554-I558 VanDerWaalsContact O-CB 3.27Å; R554-I558 WeakPolarHBondContact O-CB 3.42Å; R554-I558 VanDerWaalsContact O-CD1 3.23Å; R554-I558 WeakPolarHBondContact O-CD1 3.29Å; R554-I558 WeakPolarHBondContact O-CG1 3.35Å; R554-I558 PolarHBondContact O-N 3.19Å; K555-I558 CarbonylContact O-C 3.57Å; K555-I558 WeakPolarHBondContact O-CA 3.22Å; K555-I558 WeakPolarHBondContact O-CB 3.32Å; K555-I558 PolarHBondContact O-N 2.88Å; I558-Q596 HydrophobicContact CG2-CG 4.32Å
559	H	49.8	Very low	46.3	Very low	130 Å²	130	106.3 Å²	106.3	60%	0.602	58%	0.579	S	S	*	*	H	α-helix	trans	-86.6	-28.1	-178.1	-61.3	51.9	0	0	0	112.1	K555 K556 L557 T561 S562	K555-H559 PolarHBondContact O-N 2.82Å; K555-H559 PolarHBondContact O-ND1 2.78Å; K556-H559 PolarHBondContact O-N 3.06Å; L557-H559 PolarHBondContact O-N 3.41Å; H559-T561 VanDerWaalsContact C-N 3.29Å; H559-T561 PolarHBondContact O-N 2.92Å; H559-S562 PolarHBondContact O-N 2.86Å; H559-S562 PolarHBondContact O-OG 2.85Å
560	S	48.6	Very low	44.8	Very low	87 Å²	87	106.9 Å²	106.9	61%	0.608	58%	0.583	S	S	*	*	H	α-helix	trans	-81.6	-6.1	176.4	71	0	0	0	0	113.9	K556 L557 S562	K556-S560 WeakPolarHBondContact O-CB 3.34Å; K556-S560 PolarHBondContact O-N 3.16Å; K556-S560 PolarHBondContact O-OG 3.2Å; K556-S560 VanDerWaalsContact O-OG 3.07Å; L557-S560 WeakPolarHBondContact CA-OG 3.27Å; S560-S562 PolarHBondContact O-N 3.5Å
561	T	41.1	Very low	43.8	Very low	109 Å²	109	107.8 Å²	107.8	67%	0.669	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-7.7	170	-61	0	0	0	0	111.9	L557 H559	L557-T561 PolarHBondContact O-N 3.17Å; L557-T561 PolarHBondContact O-OG1 3.13Å; H559-T561 VanDerWaalsContact C-N 3.29Å; H559-T561 PolarHBondContact O-N 2.92Å
562	S	31.9	Very low	43.2	Very low	77 Å²	77	110.8 Å²	110.8	54%	0.538	60%	0.597	S	S	.	*	S	Bend	trans	-95.6	124	176.6	-20	0	0	0	0	111.2	H559 S560	H559-S562 PolarHBondContact O-N 2.86Å; H559-S562 PolarHBondContact O-OG 2.85Å; S560-S562 PolarHBondContact O-N 3.5Å
563	H	30.3	Very low	42.6	Very low	177 Å²	177	109.9 Å²	109.9	82%	0.819	60%	0.6	S	S	*	*			trans	65.5	98.2	154.8	-108.5	-91.8	0	0	0	118.5
564	E	27.3	Very low	41.1	Very low	163 Å²	163	112 Å²	112	76%	0.762	61%	0.609	S	S	*	*				-168.7	129.6	108.5	-106.3	-154.4	127.2	0	0	110.8
565	P	31.1	Very low	39.9	Very low	107 Å²	107	116.3 Å²	116.3	70%	0.695	63%	0.632	S	S	*	*			trans	-88.6	110.7	169.3	33	-23.4	0	0	0	108.4
566	L	30.1	Very low	39.5	Very low	156 Å²	156	118.1 Å²	118.1	82%	0.817	64%	0.642	S	S	*	*			trans	-91.1	118.7	164.5	-124.7	82.9	0	0	0	109.2
567	S	30.6	Very low	38.7	Very low	109 Å²	109	120.9 Å²	120.9	76%	0.762	65%	0.649	S	S	*	*			trans	-60	125.6	179.7	-48	0	0	0	0	112.7
568	D	32.2	Very low	37.9	Very low	164 Å²	164	121.3 Å²	121.3	88%	0.877	65%	0.651	S	S	*	*			trans	-148.7	119.8	146.9	-99.8	-30.8	0	0	0	108.5
569	P	38	Very low	37.4	Very low	108 Å²	108	121.3 Å²	121.3	70%	0.701	66%	0.659	S	S	*	*			trans	-92.7	117.6	175.5	33.7	-24.8	0	0	0	108.8
570	D	38.1	Very low	37.2	Very low	155 Å²	155	119.2 Å²	119.2	83%	0.829	66%	0.656	S	S	*	*			trans	174.2	-10.3	146.1	-92.6	-17.1	0	0	0	114.7	T572	D570-T572 PolarHBondContact O-N 2.92Å; D570-T572 VanDerWaalsContact O-N 3.11Å
571	D	36.1	Very low	36.7	Very low	102 Å²	102	118.2 Å²	118.2	55%	0.545	65%	0.646	S	S	.	*			trans	-90.7	83	179.1	-87.2	-31.3	0	0	0	113.1	T573 M574 Q575	D571-T573 PolarHBondContact O-N 2.77Å; D571-T573 VanDerWaalsContact O-N 3.13Å; D571-M574 HydrophobicContact CB-CB 3.67Å; D571-M574 HydrophobicContact CB-CE 3.93Å; D571-M574 WeakPolarHBondContact O-CA 3.46Å; D571-M574 WeakPolarHBondContact O-CB 3.29Å; D571-M574 PolarHBondContact O-N 3.19Å; D571-M574 WeakPolarHBondContact OD2-CE 3.49Å; D571-Q575 PolarHBondContact O-N 2.81Å; D571-Q575 VanDerWaalsContact O-N 3.1Å
572	T	48.1	Very low	36.4	Very low	110 Å²	110	118.2 Å²	118.2	68%	0.675	64%	0.637	S	S	*	*	H	α-helix	trans	-52.4	-30.6	172.9	-19.7	0	0	0	0	113.3	D570 Q575	D570-T572 PolarHBondContact O-N 2.92Å; D570-T572 VanDerWaalsContact O-N 3.11Å; T572-Q575 PolarHBondContact O-N 2.72Å
573	T	49.5	Very low	37.1	Very low	98 Å²	98	122.4 Å²	122.4	60%	0.601	65%	0.645	S	S	*	*	H	α-helix	trans	-78.3	-26.9	176.7	58.1	0	0	0	0	112.8	D571 Q575 R577	D571-T573 PolarHBondContact O-N 2.77Å; D571-T573 VanDerWaalsContact O-N 3.13Å; T573-Q575 VanDerWaalsContact C-N 3.31Å; T573-R577 WeakPolarHBondContact O-CG 3.45Å; T573-R577 PolarHBondContact O-N 3.43Å
574	M	32.7	Very low	37.7	Very low	96 Å²	96	119.3 Å²	119.3	47%	0.473	63%	0.631	S	S	.	*	H	α-helix	trans	-74.9	-26.7	172	-153.4	-169.6	-53.1	0	0	110.1	D571 R577 L578	D571-M574 HydrophobicContact CB-CB 3.67Å; D571-M574 HydrophobicContact CB-CE 3.93Å; D571-M574 WeakPolarHBondContact O-CA 3.46Å; D571-M574 WeakPolarHBondContact O-CB 3.29Å; D571-M574 PolarHBondContact O-N 3.19Å; D571-M574 WeakPolarHBondContact OD2-CE 3.49Å; M574-R577 CarbonylContact O-C 3.52Å; M574-R577 PolarHBondContact O-N 2.99Å; M574-L578 HydrophobicContact CG-CD1 4.08Å; M574-L578 HydrophobicContact CG-CG 4.25Å; M574-L578 WeakPolarHBondContact O-CA 3.44Å; M574-L578 WeakPolarHBondContact O-CB 3.28Å; M574-L578 WeakPolarHBondContact O-CD1 3.4Å; M574-L578 WeakPolarHBondContact O-CG 3.41Å; M574-L578 PolarHBondContact O-N 2.81Å; M574-L578 HydrophobicContact SD-CD1 4.33Å
575	Q	33.8	Very low	38.5	Very low	142 Å²	142	118 Å²	118	66%	0.664	62%	0.619	S	S	*	*	H	α-helix	trans	-67.9	-38.2	175.7	-125.4	176.2	18.7	0	0	113.5	D571 T572 T573 L578 A579	D571-Q575 PolarHBondContact O-N 2.81Å; D571-Q575 VanDerWaalsContact O-N 3.1Å; T572-Q575 PolarHBondContact O-N 2.72Å; T573-Q575 VanDerWaalsContact C-N 3.31Å; Q575-L578 CarbonylContact O-C 3.55Å; Q575-L578 PolarHBondContact O-N 3.33Å; Q575-A579 WeakPolarHBondContact O-CB 3.49Å; Q575-A579 PolarHBondContact O-N 3Å
576	E	47.5	Very low	39.3	Very low	151 Å²	151	118.3 Å²	118.3	71%	0.706	61%	0.612	S	S	*	*	H	α-helix	trans	-71.2	-39.3	172	-87.8	-175.3	155.6	0	0	112.2	L578 A579 T580	E576-L578 VanDerWaalsContact C-N 3.3Å; E576-A579 WeakPolarHBondContact O-CB 3.24Å; E576-A579 PolarHBondContact O-N 2.99Å; E576-A579 VanDerWaalsContact O-N 3.14Å; E576-T580 PolarHBondContact O-N 2.9Å; E576-T580 PolarHBondContact O-OG1 3.47Å
577	R	38.2	Very low	40.2	Very low	187 Å²	187	114 Å²	114	71%	0.706	59%	0.587	S	S	*	*	H	α-helix	trans	-66.5	-35.4	172.4	-76.9	-177	147.1	-167.1	-5.7	112.1	T573 M574 A579 T580 V581	T573-R577 WeakPolarHBondContact O-CG 3.45Å; T573-R577 PolarHBondContact O-N 3.43Å; M574-R577 CarbonylContact O-C 3.52Å; M574-R577 PolarHBondContact O-N 2.99Å; R577-A579 VanDerWaalsContact C-N 3.33Å; R577-T580 WeakPolarHBondContact CA-OG1 3.39Å; R577-T580 PolarHBondContact O-OG1 3.42Å; R577-V581 WeakPolarHBondContact O-CB 3.17Å; R577-V581 WeakPolarHBondContact O-CG2 3.37Å; R577-V581 PolarHBondContact O-N 3.03Å
578	L	31.5	Very low	40.7	Very low	62 Å²	62	113 Å²	113	33%	0.325	57%	0.573	S	S	.	*	H	α-helix	trans	-70.6	-33.7	172.1	-79.6	165.7	0	0	0	109.1	M574 Q575 E576 V581 F582	M574-L578 HydrophobicContact CG-CD1 4.08Å; M574-L578 HydrophobicContact CG-CG 4.25Å; M574-L578 WeakPolarHBondContact O-CA 3.44Å; M574-L578 WeakPolarHBondContact O-CB 3.28Å; M574-L578 WeakPolarHBondContact O-CD1 3.4Å; M574-L578 WeakPolarHBondContact O-CG 3.41Å; M574-L578 PolarHBondContact O-N 2.81Å; M574-L578 HydrophobicContact SD-CD1 4.33Å; Q575-L578 CarbonylContact O-C 3.55Å; Q575-L578 PolarHBondContact O-N 3.33Å; E576-L578 VanDerWaalsContact C-N 3.3Å; L578-V581 CarbonylContact O-C 3.46Å; L578-V581 PolarHBondContact O-N 3.05Å; L578-F582 VanDerWaalsContact C-CD2 3.47Å; L578-F582 HydrophobicContact CB-CD2 3.85Å; L578-F582 HydrophobicContact CB-CE2 3.8Å; L578-F582 HydrophobicContact CD2-CE2 4.03Å; L578-F582 HydrophobicContact CG-CE2 4.39Å; L578-F582 VanDerWaalsContact O-CA 3.31Å; L578-F582 WeakPolarHBondContact O-CA 3.47Å; L578-F582 WeakPolarHBondContact O-CB 3.37Å; L578-F582 WeakPolarHBondContact O-CD2 3.42Å; L578-F582 WeakPolarHBondContact O-CG 3.27Å; L578-F582 PolarHBondContact O-N 2.87Å
579	A	38.2	Very low	41.5	Very low	57 Å²	57	112.5 Å²	112.5	47%	0.471	56%	0.559	S	S	.	*	H	α-helix	trans	-68.1	-40.6	175.1	0	0	0	0	0	112	Q575 E576 R577 F582 K583	Q575-A579 WeakPolarHBondContact O-CB 3.49Å; Q575-A579 PolarHBondContact O-N 3Å; E576-A579 WeakPolarHBondContact O-CB 3.24Å; E576-A579 PolarHBondContact O-N 2.99Å; E576-A579 VanDerWaalsContact O-N 3.14Å; R577-A579 VanDerWaalsContact C-N 3.33Å; A579-F582 PolarHBondContact O-N 2.85Å; A579-K583 WeakPolarHBondContact O-CB 3.36Å; A579-K583 PolarHBondContact O-N 3.41Å
580	T	47.2	Very low	42.3	Very low	87 Å²	87	113.3 Å²	113.3	53%	0.534	55%	0.551	S	S	.	*	H	α-helix	trans	-69.2	-41.3	172.1	49	0	0	0	0	111.7	E576 R577 F582 K583 E584	E576-T580 PolarHBondContact O-N 2.9Å; E576-T580 PolarHBondContact O-OG1 3.47Å; R577-T580 WeakPolarHBondContact CA-OG1 3.39Å; R577-T580 PolarHBondContact O-OG1 3.42Å; T580-F582 VanDerWaalsContact C-N 3.31Å; T580-F582 PolarHBondContact O-N 2.77Å; T580-K583 PolarHBondContact O-N 3.28Å; T580-E584 PolarHBondContact O-N 2.85Å
581	V	38.4	Very low	42.9	Very low	65 Å²	65	107.9 Å²	107.9	39%	0.394	52%	0.522	S	S	.	.	H	α-helix	trans	-65.4	-34.4	172.7	169.4	0	0	0	0	110.6	R577 L578 E584 R585	R577-V581 WeakPolarHBondContact O-CB 3.17Å; R577-V581 WeakPolarHBondContact O-CG2 3.37Å; R577-V581 PolarHBondContact O-N 3.03Å; L578-V581 CarbonylContact O-C 3.46Å; L578-V581 PolarHBondContact O-N 3.05Å; V581-E584 CarbonylContact O-C 3.47Å; V581-E584 PolarHBondContact O-N 2.78Å; V581-R585 WeakPolarHBondContact O-CA 3.49Å; V581-R585 WeakPolarHBondContact O-CB 3.31Å; V581-R585 PolarHBondContact O-N 2.86Å
582	F	34.3	Very low	43.7	Very low	110 Å²	110	104.6 Å²	104.6	48%	0.482	51%	0.512	S	S	.	.	H	α-helix	trans	-73.1	-34.4	178.3	-84.7	-61.7	0	0	0	110	L578 A579 T580 R585 E586	L578-F582 VanDerWaalsContact C-CD2 3.47Å; L578-F582 HydrophobicContact CB-CD2 3.85Å; L578-F582 HydrophobicContact CB-CE2 3.8Å; L578-F582 HydrophobicContact CD2-CE2 4.03Å; L578-F582 HydrophobicContact CG-CE2 4.39Å; L578-F582 VanDerWaalsContact O-CA 3.31Å; L578-F582 WeakPolarHBondContact O-CA 3.47Å; L578-F582 WeakPolarHBondContact O-CB 3.37Å; L578-F582 WeakPolarHBondContact O-CD2 3.42Å; L578-F582 WeakPolarHBondContact O-CG 3.27Å; L578-F582 PolarHBondContact O-N 2.87Å; A579-F582 PolarHBondContact O-N 2.85Å; T580-F582 VanDerWaalsContact C-N 3.31Å; T580-F582 PolarHBondContact O-N 2.77Å; F582-R585 CarbonylContact O-C 3.6Å; F582-R585 PolarHBondContact O-N 3.44Å; F582-E586 WeakPolarHBondContact O-CB 3.3Å; F582-E586 PolarHBondContact O-N 2.93Å
583	K	45.3	Very low	44.3	Very low	164 Å²	164	102.8 Å²	102.8	71%	0.713	50%	0.498	S	S	*	.	H	α-helix	trans	-67.7	-42.9	171.7	-151.6	175.2	-174.8	-177.2	0	111.3	A579 T580 R585 E586 E587	A579-K583 WeakPolarHBondContact O-CB 3.36Å; A579-K583 PolarHBondContact O-N 3.41Å; T580-K583 PolarHBondContact O-N 3.28Å; K583-R585 VanDerWaalsContact C-N 3.3Å; K583-E586 PolarHBondContact O-N 3.29Å; K583-E587 PolarHBondContact O-N 2.83Å
584	E	43.6	Very low	44.7	Very low	112 Å²	112	99 Å²	99	52%	0.523	48%	0.478	S	S	.	.	H	α-helix	trans	-66.1	-31.1	168.4	-88.1	-176	146.5	0	0	112.4	T580 V581 E587 L588	T580-E584 PolarHBondContact O-N 2.85Å; V581-E584 CarbonylContact O-C 3.47Å; V581-E584 PolarHBondContact O-N 2.78Å; E584-E587 PolarHBondContact O-N 3.35Å; E584-L588 VanDerWaalsContact O-CB 3.3Å; E584-L588 WeakPolarHBondContact O-CB 3.47Å; E584-L588 PolarHBondContact O-N 3.2Å
585	R	43.4	Very low	45.7	Very low	136 Å²	136	95.7 Å²	95.7	51%	0.513	46%	0.462	S	S	.	.	H	α-helix	trans	-77.7	-26.6	-178.8	-161.5	171.7	-169.2	176	1.7	111.1	V581 F582 K583 L588 R589	V581-R585 WeakPolarHBondContact O-CA 3.49Å; V581-R585 WeakPolarHBondContact O-CB 3.31Å; V581-R585 PolarHBondContact O-N 2.86Å; F582-R585 CarbonylContact O-C 3.6Å; F582-R585 PolarHBondContact O-N 3.44Å; K583-R585 VanDerWaalsContact C-N 3.3Å; R585-L588 CarbonylContact O-C 3.6Å; R585-R589 WeakPolarHBondContact O-CA 3.47Å; R585-R589 WeakPolarHBondContact O-CB 3.26Å; R585-R589 PolarHBondContact O-N 3.01Å
586	E	47.7	Very low	46.8	Very low	114 Å²	114	94.4 Å²	94.4	53%	0.533	46%	0.457	S	S	.	.	H	α-helix	trans	-77.2	-35.5	172.6	-161.9	146	-148.8	0	0	110.9	F582 K583 R589 K590	F582-E586 WeakPolarHBondContact O-CB 3.3Å; F582-E586 PolarHBondContact O-N 2.93Å; K583-E586 PolarHBondContact O-N 3.29Å; E586-R589 WeakPolarHBondContact O-CB 3.33Å; E586-R589 PolarHBondContact O-N 2.87Å; E586-K590 VanDerWaalsContact O-CG 3.3Å; E586-K590 WeakPolarHBondContact O-CG 3.33Å; E586-K590 PolarHBondContact O-N 2.91Å
587	E	49.9	Very low	47.5	Very low	65 Å²	65	92 Å²	92	30%	0.304	45%	0.445	S	S	.	.	H	α-helix	trans	-66.7	-41	166.9	-71.4	-70.5	127.6	0	0	111.7	N527 K583 E584 R589 K590 L591	N527-E587 PolarHBondContact OD1-OE2 3.23Å; K583-E587 PolarHBondContact O-N 2.83Å; E584-E587 PolarHBondContact O-N 3.35Å; E587-R589 VanDerWaalsContact C-N 3.3Å; E587-R589 PolarHBondContact O-N 3.27Å; E587-K590 PolarHBondContact O-N 3.24Å; E587-K590 IonicContact OE1-NZ 2.81Å; E587-K590 PolarHBondContact OE1-NZ 3.33Å; E587-L591 WeakPolarHBondContact O-CB 3.28Å; E587-L591 PolarHBondContact O-N 3.4Å
588	L	41.8	Very low	48.6	Very low	89 Å²	89	88 Å²	88	47%	0.466	44%	0.444	S	S	.	.	H	α-helix	trans	-68.6	-26.4	170.4	-94.1	154.7	0	0	0	112.6	E584 R585 L591 G592	E584-L588 VanDerWaalsContact O-CB 3.3Å; E584-L588 WeakPolarHBondContact O-CB 3.47Å; E584-L588 PolarHBondContact O-N 3.2Å; R585-L588 CarbonylContact O-C 3.6Å; L588-L591 HydrophobicContact CD2-CD2 4.27Å; L588-L591 CarbonylContact O-C 3.34Å; L588-L591 PolarHBondContact O-N 3.17Å; L588-G592 WeakPolarHBondContact O-CA 3.39Å; L588-G592 PolarHBondContact O-N 3.45Å
589	R	48.3	Very low	50.3	Low	152 Å²	152	88.7 Å²	88.7	57%	0.574	46%	0.458	S	S	*	.	H	α-helix	trans	-73.6	-41.2	172.2	-165.5	179.3	88.5	113.2	2.2	109.8	R585 E586 E587 L591 G592 D593	R585-R589 WeakPolarHBondContact O-CA 3.47Å; R585-R589 WeakPolarHBondContact O-CB 3.26Å; R585-R589 PolarHBondContact O-N 3.01Å; E586-R589 WeakPolarHBondContact O-CB 3.33Å; E586-R589 PolarHBondContact O-N 2.87Å; E587-R589 VanDerWaalsContact C-N 3.3Å; E587-R589 PolarHBondContact O-N 3.27Å; R589-L591 VanDerWaalsContact C-N 3.32Å; R589-L591 PolarHBondContact O-N 3.09Å; R589-G592 CarbonylContact O-C 3.57Å; R589-G592 PolarHBondContact O-N 2.8Å; R589-D593 VanDerWaalsContact O-CB 3.31Å; R589-D593 WeakPolarHBondContact O-CB 3.34Å; R589-D593 PolarHBondContact O-N 3.2Å
590	K	55.7	Low	51.8	Low	125 Å²	125	88.1 Å²	88.1	54%	0.543	45%	0.448	S	S	.	.	H	α-helix	trans	-63.3	-37.8	169.7	-69.1	172.6	-165.7	169.1	0	111.6	E586 E587 G594	E586-K590 VanDerWaalsContact O-CG 3.3Å; E586-K590 WeakPolarHBondContact O-CG 3.33Å; E586-K590 PolarHBondContact O-N 2.91Å; E587-K590 PolarHBondContact O-N 3.24Å; E587-K590 IonicContact OE1-NZ 2.81Å; E587-K590 PolarHBondContact OE1-NZ 3.33Å; K590-G594 WeakPolarHBondContact O-CA 3.45Å; K590-G594 PolarHBondContact O-N 2.87Å
591	L	50.2	Low	52.7	Low	42 Å²	42	85.3 Å²	85.3	22%	0.22	43%	0.429	C	S	.	.	H	α-helix	trans	-70	-35	172.9	-166.2	77.9	0	0	0	111.3	L531 L534 E587 L588 R589 G594 L595	L531-L591 HydrophobicContact CD1-CD1 4.35Å; L534-L591 HydrophobicContact CD1-CD2 4.02Å; E587-L591 WeakPolarHBondContact O-CB 3.28Å; E587-L591 PolarHBondContact O-N 3.4Å; L588-L591 HydrophobicContact CD2-CD2 4.27Å; L588-L591 CarbonylContact O-C 3.34Å; L588-L591 PolarHBondContact O-N 3.17Å; R589-L591 VanDerWaalsContact C-N 3.32Å; R589-L591 PolarHBondContact O-N 3.09Å; L591-G594 CarbonylContact O-C 3.59Å; L591-G594 PolarHBondContact O-N 3.07Å; L591-L595 HydrophobicContact CD2-CD1 4.49Å; L591-L595 HydrophobicContact CG-CD1 4.21Å; L591-L595 VanDerWaalsContact O-CB 3.29Å; L591-L595 WeakPolarHBondContact O-CB 3.32Å; L591-L595 WeakPolarHBondContact O-CD1 3.46Å; L591-L595 WeakPolarHBondContact O-CG 3.49Å; L591-L595 PolarHBondContact O-N 2.81Å
592	G	53.7	Low	54	Low	32 Å²	32	84.2 Å²	84.2	33%	0.33	43%	0.427	S	S	.	.	H	α-helix	trans	-70.4	-46.5	177.3	0	0	0	0	0	112.6	L588 R589 G594 L595 Q596	L588-G592 WeakPolarHBondContact O-CA 3.39Å; L588-G592 PolarHBondContact O-N 3.45Å; R589-G592 CarbonylContact O-C 3.57Å; R589-G592 PolarHBondContact O-N 2.8Å; G592-G594 VanDerWaalsContact C-N 3.27Å; G592-L595 CarbonylContact O-C 3.5Å; G592-L595 PolarHBondContact O-N 2.83Å; G592-Q596 PolarHBondContact O-N 3Å
593	D	59	Low	55.8	Low	73 Å²	73	80.4 Å²	80.4	39%	0.39	42%	0.419	S	S	.	.	H	α-helix	trans	-64.8	-34.1	170.1	-72.6	-12.9	0	0	0	110.5	R589 Q596	R589-D593 VanDerWaalsContact O-CB 3.31Å; R589-D593 WeakPolarHBondContact O-CB 3.34Å; R589-D593 PolarHBondContact O-N 3.2Å; D593-Q596 VanDerWaalsContact O-CB 3.25Å; D593-Q596 WeakPolarHBondContact O-CB 3.39Å; D593-Q596 PolarHBondContact O-N 3.26Å
594	G	57.8	Low	56.9	Low	18 Å²	18	73.5 Å²	73.5	19%	0.186	39%	0.389	C	S	.	.	H	α-helix	trans	-64	-47.1	170	0	0	0	0	0	111.6	K590 L591 G592 Q596 Q597 V600	K590-G594 WeakPolarHBondContact O-CA 3.45Å; K590-G594 PolarHBondContact O-N 2.87Å; L591-G594 CarbonylContact O-C 3.59Å; L591-G594 PolarHBondContact O-N 3.07Å; G592-G594 VanDerWaalsContact C-N 3.27Å; G594-Q596 PolarHBondContact O-N 3.11Å; G594-Q597 WeakPolarHBondContact O-CB 3.43Å; G594-Q597 PolarHBondContact O-N 2.81Å; G594-V600 WeakPolarHBondContact O-CB 3.27Å; G594-V600 WeakPolarHBondContact O-CG1 3.35Å
595	L	53.4	Low	57.8	Low	26 Å²	26	73.2 Å²	73.2	14%	0.136	38%	0.384	C	S	.	.	H	α-helix	trans	-67.8	-21	177.8	-76.5	164.7	0	0	0	112.8	F544 R554 L591 G592 Q597 F601 L604	F544-L595 HydrophobicContact CE2-CD1 4.49Å; F544-L595 HydrophobicContact CE2-CD2 3.61Å; F544-L595 HydrophobicContact CZ-CD2 4.04Å; R554-L595 PolarHBondContact NH2-O 2.93Å; L591-L595 HydrophobicContact CD2-CD1 4.49Å; L591-L595 HydrophobicContact CG-CD1 4.21Å; L591-L595 VanDerWaalsContact O-CB 3.29Å; L591-L595 WeakPolarHBondContact O-CB 3.32Å; L591-L595 WeakPolarHBondContact O-CD1 3.46Å; L591-L595 WeakPolarHBondContact O-CG 3.49Å; L591-L595 PolarHBondContact O-N 2.81Å; G592-L595 CarbonylContact O-C 3.5Å; G592-L595 PolarHBondContact O-N 2.83Å; L595-Q597 PolarHBondContact O-N 3.14Å; L595-F601 HydrophobicContact CD2-CD2 3.87Å; L595-L604 HydrophobicContact CD2-CD1 4.26Å
596	Q	58.9	Low	59.2	Low	116 Å²	116	72.3 Å²	72.3	54%	0.542	39%	0.385	S	S	.	.	H	α-helix	trans	-62.5	-30.8	168.7	-106.6	-179.5	11.6	0	0	112	I558 G592 D593 G594 P598	I558-Q596 HydrophobicContact CG2-CG 4.32Å; G592-Q596 PolarHBondContact O-N 3Å; D593-Q596 VanDerWaalsContact O-CB 3.25Å; D593-Q596 WeakPolarHBondContact O-CB 3.39Å; D593-Q596 PolarHBondContact O-N 3.26Å; G594-Q596 PolarHBondContact O-N 3.11Å; Q596-P598 WeakPolarHBondContact O-CD 3.38Å
597	Q	61	Low	60.3	Low	100 Å²	100	69.4 Å²	69.4	47%	0.467	37%	0.373	S	S	.	.	S	Bend	trans	-75.2	122.7	176.9	-65.5	-172	-10.3	0	0	110.5	G594 L595 A599 V600 F601	G594-Q597 WeakPolarHBondContact O-CB 3.43Å; G594-Q597 PolarHBondContact O-N 2.81Å; L595-Q597 PolarHBondContact O-N 3.14Å; Q597-A599 PolarHBondContact O-N 2.97Å; Q597-V600 HydrophobicContact CB-CB 4.11Å; Q597-V600 HydrophobicContact CB-CG2 3.85Å; Q597-V600 PolarHBondContact O-N 3.27Å; Q597-V600 VanDerWaalsContact O-N 3.17Å; Q597-F601 PolarHBondContact O-N 3.02Å
598	P	61.4	Low	60.8	Low	104 Å²	104	67.5 Å²	67.5	68%	0.675	36%	0.364	S	S	*	.	H	α-helix	trans	-60.3	-33.5	179.8	21.7	-31.1	0	0	0	111.9	Q596 A602	Q596-P598 WeakPolarHBondContact O-CD 3.38Å; P598-A602 VanDerWaalsContact O-CB 3.23Å; P598-A602 WeakPolarHBondContact O-CB 3.25Å; P598-A602 PolarHBondContact O-N 3.28Å
599	A	67.4	Low	62.1	Low	75 Å²	75	67.2 Å²	67.2	62%	0.62	36%	0.361	S	S	*	.	H	α-helix	trans	-65.5	-44.5	176.1	0	0	0	0	0	113	Q597 A602 G603	Q597-A599 PolarHBondContact O-N 2.97Å; A599-A602 PolarHBondContact O-N 3.1Å; A599-G603 PolarHBondContact O-N 2.89Å
600	V	69.3	Low	62.9	Low	45 Å²	45	61.4 Å²	61.4	27%	0.273	35%	0.348	S	S	.	.	H	α-helix	trans	-68.4	-41.2	178.7	174.2	0	0	0	0	110.1	G594 Q597 G603 L604	G594-V600 WeakPolarHBondContact O-CB 3.27Å; G594-V600 WeakPolarHBondContact O-CG1 3.35Å; Q597-V600 HydrophobicContact CB-CB 4.11Å; Q597-V600 HydrophobicContact CB-CG2 3.85Å; Q597-V600 PolarHBondContact O-N 3.27Å; Q597-V600 VanDerWaalsContact O-N 3.17Å; V600-G603 PolarHBondContact O-N 3.37Å; V600-L604 HydrophobicContact CG1-CD1 4.48Å; V600-L604 WeakPolarHBondContact O-CB 3.17Å; V600-L604 PolarHBondContact O-N 3.27Å
601	F	66.6	Low	63.3	Low	28 Å²	28	57.3 Å²	57.3	12%	0.123	33%	0.332	C	S	.	.	H	α-helix	trans	-63.3	-45	174.3	-179.7	-103.6	0	0	0	112.6	F544 A548 R554 L595 Q597 G603 L604 W605	F544-F601 HydrophobicContact CE1-CD2 4.37Å; F544-F601 AromaticContact CE1-CE2 3.74Å; F544-F601 HydrophobicContact CE1-CE2 3.74Å; F544-F601 HydrophobicContact CE1-CZ 4.37Å; F544-F601 HydrophobicContact CE2-CD2 4.39Å; F544-F601 HydrophobicContact CE2-CE2 4.2Å; F544-F601 AromaticContact CZ-CD2 3.73Å; F544-F601 HydrophobicContact CZ-CD2 3.73Å; F544-F601 AromaticContact CZ-CE2 3.49Å; F544-F601 HydrophobicContact CZ-CE2 3.49Å; F544-F601 VanDerWaalsContact CZ-CE2 3.49Å; F544-F601 HydrophobicContact CZ-CZ 4.5Å; A548-F601 HydrophobicContact CB-CZ 3.79Å; R554-F601 VanDerWaalsContact CZ-CD2 3.43Å; L595-F601 HydrophobicContact CD2-CD2 3.87Å; Q597-F601 PolarHBondContact O-N 3.02Å; F601-G603 VanDerWaalsContact C-N 3.31Å; F601-G603 PolarHBondContact O-N 3.19Å; F601-L604 PolarHBondContact O-N 3.07Å; F601-W605 VanDerWaalsContact O-CB 3.24Å; F601-W605 WeakPolarHBondContact O-CB 3.14Å; F601-W605 PolarHBondContact O-N 2.89Å
602	A	66	Low	63.7	Low	42 Å²	42	60.9 Å²	60.9	35%	0.347	35%	0.347	S	S	.	.	H	α-helix	trans	-59.8	-43.4	175.3	0	0	0	0	0	111	P598 A599 W605 H606	P598-A602 VanDerWaalsContact O-CB 3.23Å; P598-A602 WeakPolarHBondContact O-CB 3.25Å; P598-A602 PolarHBondContact O-N 3.28Å; A599-A602 PolarHBondContact O-N 3.1Å; A602-W605 PolarHBondContact O-N 2.84Å; A602-H606 PolarHBondContact O-CD2 2.83Å; A602-H606 PolarHBondContact O-N 2.84Å
603	G	70.8	Confident	64.3	Low	31 Å²	31	63.5 Å²	63.5	32%	0.32	35%	0.353	S	S	.	.	H	α-helix	trans	-59.5	-48	173.5	0	0	0	0	0	112.6	A599 V600 F601 W605 H606 I607	A599-G603 PolarHBondContact O-N 2.89Å; V600-G603 PolarHBondContact O-N 3.37Å; F601-G603 VanDerWaalsContact C-N 3.31Å; F601-G603 PolarHBondContact O-N 3.19Å; G603-W605 VanDerWaalsContact C-N 3.31Å; G603-W605 PolarHBondContact O-N 2.85Å; G603-H606 PolarHBondContact O-N 2.92Å; G603-I607 VanDerWaalsContact O-CG1 3.24Å; G603-I607 WeakPolarHBondContact O-CG1 3.46Å; G603-I607 PolarHBondContact O-N 2.84Å
604	L	68.6	Low	64.3	Low	18 Å²	18	63.5 Å²	63.5	9%	0.094	35%	0.352	C	S	.	.	H	α-helix	trans	-65.2	-35.3	178.3	-126.8	137.9	0	0	0	112.1	F544 L595 V600 F601 I607 L608	F544-L604 HydrophobicContact CE2-CD2 3.9Å; F544-L604 HydrophobicContact CZ-CB 4.1Å; F544-L604 HydrophobicContact CZ-CD2 3.8Å; L595-L604 HydrophobicContact CD2-CD1 4.26Å; V600-L604 HydrophobicContact CG1-CD1 4.48Å; V600-L604 WeakPolarHBondContact O-CB 3.17Å; V600-L604 PolarHBondContact O-N 3.27Å; F601-L604 PolarHBondContact O-N 3.07Å; L604-I607 PolarHBondContact O-N 3.26Å; L604-L608 HydrophobicContact CD2-CD1 4.34Å; L604-L608 WeakPolarHBondContact O-CB 3.37Å; L604-L608 PolarHBondContact O-N 3.33Å
605	W	64	Low	64.2	Low	106 Å²	106	65.6 Å²	65.6	40%	0.402	36%	0.358	S	S	.	.	H	α-helix	trans	-68	-45.2	175.7	-169.7	92.8	0	0	0	111.4	F601 A602 G603 I607 L608 Q609	F601-W605 VanDerWaalsContact O-CB 3.24Å; F601-W605 WeakPolarHBondContact O-CB 3.14Å; F601-W605 PolarHBondContact O-N 2.89Å; A602-W605 PolarHBondContact O-N 2.84Å; G603-W605 VanDerWaalsContact C-N 3.31Å; G603-W605 PolarHBondContact O-N 2.85Å; W605-I607 VanDerWaalsContact C-N 3.34Å; W605-I607 PolarHBondContact O-N 3.27Å; W605-L608 PolarHBondContact O-N 2.61Å; W605-Q609 WeakPolarHBondContact O-CB 3.39Å; W605-Q609 PolarHBondContact O-N 3.18Å
606	H	71.6	Confident	64.8	Low	117 Å²	117	73.2 Å²	73.2	54%	0.542	39%	0.385	S	S	.	.	H	α-helix	trans	-62.2	-39.3	172.5	-80.4	-61.3	0	0	0	112.4	A602 G603 Q609 G610	A602-H606 PolarHBondContact O-CD2 2.83Å; A602-H606 PolarHBondContact O-N 2.84Å; G603-H606 PolarHBondContact O-N 2.92Å; H606-Q609 PolarHBondContact O-N 2.72Å; H606-G610 PolarHBondContact O-N 3.46Å
607	I	70.6	Confident	65.1	Low	54 Å²	54	73.3 Å²	73.3	28%	0.277	39%	0.385	S	S	.	.	H	α-helix	trans	-61.6	-46	173.8	-69.5	164.9	0	0	0	110.1	G603 L604 W605 G610 I611	G603-I607 VanDerWaalsContact O-CG1 3.24Å; G603-I607 WeakPolarHBondContact O-CG1 3.46Å; G603-I607 PolarHBondContact O-N 2.84Å; L604-I607 PolarHBondContact O-N 3.26Å; W605-I607 VanDerWaalsContact C-N 3.34Å; W605-I607 PolarHBondContact O-N 3.27Å; I607-G610 PolarHBondContact O-N 3.23Å; I607-I611 HydrophobicContact CG2-CD1 3.86Å; I607-I611 HydrophobicContact CG2-CG1 4.41Å; I607-I611 VanDerWaalsContact O-CG1 3.24Å; I607-I611 WeakPolarHBondContact O-CG1 3.48Å; I607-I611 PolarHBondContact O-N 3.18Å
608	L	61.1	Low	64.4	Low	24 Å²	24	72.9 Å²	72.9	13%	0.126	38%	0.384	C	S	.	.	H	α-helix	trans	-64.1	-41	178	-100.6	155.1	0	0	0	112.9	L535 F544 L604 W605 I611 H612	L535-L608 HydrophobicContact CD2-CD1 4.01Å; L535-L608 HydrophobicContact CD2-CD2 3.77Å; L535-L608 HydrophobicContact CD2-CG 3.7Å; F544-L608 HydrophobicContact CD1-CD1 3.35Å; F544-L608 HydrophobicContact CE1-CD1 3.48Å; F544-L608 VanDerWaalsContact CE1-CD1 3.48Å; F544-L608 HydrophobicContact CG-CD1 3.97Å; F544-L608 HydrophobicContact CZ-CD1 4.19Å; L604-L608 HydrophobicContact CD2-CD1 4.34Å; L604-L608 WeakPolarHBondContact O-CB 3.37Å; L604-L608 PolarHBondContact O-N 3.33Å; W605-L608 PolarHBondContact O-N 2.61Å; L608-I611 PolarHBondContact O-N 2.91Å; L608-H612 WeakPolarHBondContact O-CB 3.39Å; L608-H612 PolarHBondContact O-N 3.12Å
609	Q	69	Low	64.1	Low	84 Å²	84	71.5 Å²	71.5	39%	0.393	38%	0.376	S	S	.	.	H	α-helix	trans	-64.2	-43.9	174.5	-168.6	-173.7	9.4	0	0	110.6	W605 H606 I611 H612 I613	W605-Q609 WeakPolarHBondContact O-CB 3.39Å; W605-Q609 PolarHBondContact O-N 3.18Å; H606-Q609 PolarHBondContact O-N 2.72Å; Q609-I611 PolarHBondContact O-N 3.17Å; Q609-H612 WeakPolarHBondContact O-CB 3.45Å; Q609-H612 PolarHBondContact O-N 2.92Å; Q609-H612 VanDerWaalsContact O-N 3.15Å; Q609-I613 HydrophobicContact CG-CD1 4.2Å; Q609-I613 WeakPolarHBondContact O-CG1 3.41Å; Q609-I613 PolarHBondContact O-N 3.44Å
610	G	65.7	Low	63.1	Low	30 Å²	30	72 Å²	72	31%	0.309	37%	0.374	S	S	.	.	H	α-helix	trans	-61	-43.2	175.8	0	0	0	0	0	112.6	H606 I607 I613 L614	H606-G610 PolarHBondContact O-N 3.46Å; I607-G610 PolarHBondContact O-N 3.23Å; G610-I613 PolarHBondContact O-N 2.7Å; G610-L614 WeakPolarHBondContact O-CB 3.15Å; G610-L614 WeakPolarHBondContact O-CG 3.45Å; G610-L614 PolarHBondContact O-N 3.15Å
611	I	63.7	Low	62.6	Low	38 Å²	38	73.7 Å²	73.7	20%	0.195	39%	0.385	C	S	.	.	H	α-helix	trans	-66	-38.4	174.1	-64.4	171.6	0	0	0	110.4	L535 I607 L608 Q609 L614 M615 F622	L535-I611 HydrophobicContact CD1-CD1 4.11Å; I607-I611 HydrophobicContact CG2-CD1 3.86Å; I607-I611 HydrophobicContact CG2-CG1 4.41Å; I607-I611 VanDerWaalsContact O-CG1 3.24Å; I607-I611 WeakPolarHBondContact O-CG1 3.48Å; I607-I611 PolarHBondContact O-N 3.18Å; L608-I611 PolarHBondContact O-N 2.91Å; Q609-I611 PolarHBondContact O-N 3.17Å; I611-L614 PolarHBondContact O-N 2.97Å; I611-M615 HydrophobicContact CG2-CE 3.36Å; I611-M615 HydrophobicContact CG2-CG 4.43Å; I611-M615 WeakPolarHBondContact O-CB 3.49Å; I611-M615 WeakPolarHBondContact O-CG 3.43Å; I611-M615 PolarHBondContact O-N 3.26Å; I611-F622 HydrophobicContact CG2-CE1 4.03Å; I611-F622 HydrophobicContact CG2-CZ 3.75Å
612	H	57.7	Low	61.9	Low	117 Å²	117	76.9 Å²	76.9	54%	0.542	40%	0.399	S	S	.	.	H	α-helix	trans	-64.3	-42.1	177	-165.4	88.7	0	0	0	112	L608 Q609 M615 R616	L608-H612 WeakPolarHBondContact O-CB 3.39Å; L608-H612 PolarHBondContact O-N 3.12Å; Q609-H612 WeakPolarHBondContact O-CB 3.45Å; Q609-H612 PolarHBondContact O-N 2.92Å; Q609-H612 VanDerWaalsContact O-N 3.15Å; H612-M615 PolarHBondContact O-N 3.45Å; H612-R616 WeakPolarHBondContact O-CB 3.31Å; H612-R616 PolarHBondContact O-N 3.36Å
613	I	66.3	Low	60.5	Low	87 Å²	87	82.4 Å²	82.4	45%	0.446	42%	0.417	S	S	.	.	H	α-helix	trans	-63.9	-45.1	173.5	-65.9	164.9	0	0	0	110.1	Q609 G610 M615 R616 E617	Q609-I613 HydrophobicContact CG-CD1 4.2Å; Q609-I613 WeakPolarHBondContact O-CG1 3.41Å; Q609-I613 PolarHBondContact O-N 3.44Å; G610-I613 PolarHBondContact O-N 2.7Å; I613-M615 VanDerWaalsContact C-N 3.33Å; I613-M615 PolarHBondContact O-N 3.13Å; I613-R616 PolarHBondContact O-N 3.31Å; I613-R616 VanDerWaalsContact O-N 3.09Å; I613-E617 HydrophobicContact CG2-CG 4Å; I613-E617 WeakPolarHBondContact O-CB 3.26Å; I613-E617 WeakPolarHBondContact O-CG 3.29Å; I613-E617 PolarHBondContact O-N 3.03Å
614	L	58.6	Low	58.9	Low	74 Å²	74	85.7 Å²	85.7	39%	0.387	44%	0.441	S	S	.	.	H	α-helix	trans	-60.4	-39.9	176.2	-83	161	0	0	0	112.4	G610 I611 R616 M618 F622	G610-L614 WeakPolarHBondContact O-CB 3.15Å; G610-L614 WeakPolarHBondContact O-CG 3.45Å; G610-L614 PolarHBondContact O-N 3.15Å; I611-L614 PolarHBondContact O-N 2.97Å; L614-R616 VanDerWaalsContact C-N 3.32Å; L614-M618 HydrophobicContact CD2-CE 3.79Å; L614-M618 CarbonylContact O-C 3.59Å; L614-M618 VanDerWaalsContact O-CA 3.32Å; L614-M618 WeakPolarHBondContact O-CA 3.3Å; L614-M618 PolarHBondContact O-N 3.05Å; L614-M618 VanDerWaalsContact O-O 3.11Å; L614-F622 HydrophobicContact CB-CE2 3.92Å; L614-F622 HydrophobicContact CB-CZ 4.23Å
615	M	55.7	Low	57.1	Low	61 Å²	61	92.4 Å²	92.4	30%	0.3	48%	0.478	S	S	.	.	H	α-helix	trans	-66.8	-34.6	174.9	-73.2	-176.3	-162.2	0	0	112.1	R541 I611 H612 I613 F622	R541-M615 PolarHBondContact NH1-SD 2.86Å; R541-M615 VanDerWaalsContact NH1-SD 3.42Å; R541-M615 VanDerWaalsContact NH2-CE 3.28Å; R541-M615 PolarHBondContact NH2-SD 3.32Å; R541-M615 VanDerWaalsContact NH2-SD 3.42Å; I611-M615 HydrophobicContact CG2-CE 3.36Å; I611-M615 HydrophobicContact CG2-CG 4.43Å; I611-M615 WeakPolarHBondContact O-CB 3.49Å; I611-M615 WeakPolarHBondContact O-CG 3.43Å; I611-M615 PolarHBondContact O-N 3.26Å; H612-M615 PolarHBondContact O-N 3.45Å; I613-M615 VanDerWaalsContact C-N 3.33Å; I613-M615 PolarHBondContact O-N 3.13Å; M615-F622 HydrophobicContact CB-CD2 4.39Å; M615-F622 HydrophobicContact CB-CE2 4.22Å; M615-F622 HydrophobicContact CE-CD1 4.31Å; M615-F622 HydrophobicContact CE-CE1 4.04Å; M615-F622 HydrophobicContact CE-CZ 4.26Å; M615-F622 HydrophobicContact CG-CD1 4.5Å; M615-F622 HydrophobicContact CG-CD2 3.63Å; M615-F622 HydrophobicContact CG-CE1 4.35Å; M615-F622 HydrophobicContact CG-CE2 3.44Å; M615-F622 VanDerWaalsContact CG-CE2 3.44Å; M615-F622 HydrophobicContact CG-CG 4.17Å; M615-F622 HydrophobicContact CG-CZ 3.83Å
616	R	66	Low	55.5	Low	187 Å²	187	90.4 Å²	90.4	71%	0.706	49%	0.49	S	S	*	.	H	α-helix	trans	-74.5	-44.7	-179.9	-165.5	-176.9	91.3	164.8	6.8	112.1	H612 I613 L614	H612-R616 WeakPolarHBondContact O-CB 3.31Å; H612-R616 PolarHBondContact O-N 3.36Å; I613-R616 PolarHBondContact O-N 3.31Å; I613-R616 VanDerWaalsContact O-N 3.09Å; L614-R616 VanDerWaalsContact C-N 3.32Å
617	E	65.9	Low	53.7	Low	118 Å²	118	91 Å²	91	55%	0.551	50%	0.502	S	S	*	.	H	α-helix	trans	-87.5	-30.5	-174.3	-62.8	-63.4	147	0	0	112.3	I613	I613-E617 HydrophobicContact CG2-CG 4Å; I613-E617 WeakPolarHBondContact O-CB 3.26Å; I613-E617 WeakPolarHBondContact O-CG 3.29Å; I613-E617 PolarHBondContact O-N 3.03Å
618	M	47.3	Very low	51.9	Low	90 Å²	90	94.6 Å²	94.6	44%	0.443	53%	0.526	S	S	.	.			trans	-139	74	179.5	-72.2	-166.2	-75	0	0	112	L614 S620 V621	L614-M618 HydrophobicContact CD2-CE 3.79Å; L614-M618 CarbonylContact O-C 3.59Å; L614-M618 VanDerWaalsContact O-CA 3.32Å; L614-M618 WeakPolarHBondContact O-CA 3.3Å; L614-M618 PolarHBondContact O-N 3.05Å; L614-M618 VanDerWaalsContact O-O 3.11Å; M618-S620 PolarHBondContact O-N 2.77Å; M618-S620 VanDerWaalsContact O-N 3.16Å; M618-V621 HydrophobicContact CB-CB 4.42Å; M618-V621 HydrophobicContact CB-CG2 3.64Å; M618-V621 HydrophobicContact CE-CG2 4.2Å; M618-V621 HydrophobicContact CG-CG2 4.43Å; M618-V621 PolarHBondContact O-N 3.32Å; M618-V621 VanDerWaalsContact O-N 3.12Å; M618-V621 HydrophobicContact SD-CG2 3.98Å
619	P	54.4	Low	50.4	Low	76 Å²	76	98.8 Å²	98.8	49%	0.494	56%	0.558	S	S	.	*	G	3₁₀ helix	trans	-56.3	-31	174.2	22	-33.4	0	0	0	112.7	V621 F622	P619-V621 PolarHBondContact O-N 3.28Å; P619-V621 VanDerWaalsContact O-N 3.15Å; P619-F622 PolarHBondContact O-N 3.31Å; P619-F622 VanDerWaalsContact O-N 3.08Å
620	S	47.1	Very low	48.4	Very low	85 Å²	85	106.6 Å²	106.6	59%	0.594	58%	0.584	S	S	*	*	G	3₁₀ helix	trans	-61	-21.6	178.1	53.9	0	0	0	0	114.6	M618 F622	M618-S620 PolarHBondContact O-N 2.77Å; M618-S620 VanDerWaalsContact O-N 3.16Å; S620-F622 PolarHBondContact O-N 3.17Å
621	V	57.7	Low	46.8	Very low	80 Å²	80	109.3 Å²	109.3	49%	0.485	60%	0.603	S	S	.	*	G	3₁₀ helix	trans	-72.4	-20.5	178.2	178.3	0	0	0	0	111.6	M618 P619	M618-V621 HydrophobicContact CB-CB 4.42Å; M618-V621 HydrophobicContact CB-CG2 3.64Å; M618-V621 HydrophobicContact CE-CG2 4.2Å; M618-V621 HydrophobicContact CG-CG2 4.43Å; M618-V621 PolarHBondContact O-N 3.32Å; M618-V621 VanDerWaalsContact O-N 3.12Å; M618-V621 HydrophobicContact SD-CG2 3.98Å; P619-V621 PolarHBondContact O-N 3.28Å; P619-V621 VanDerWaalsContact O-N 3.15Å
622	F	51.1	Low	45.6	Very low	96 Å²	96	113.3 Å²	113.3	42%	0.421	63%	0.631	S	S	.	*	T	Hydrogen-bonded Turn	trans	-104	-8.9	-179.1	-65.4	-84.8	0	0	0	113.6	I611 L614 M615 P619 S620 A624	I611-F622 HydrophobicContact CG2-CE1 4.03Å; I611-F622 HydrophobicContact CG2-CZ 3.75Å; L614-F622 HydrophobicContact CB-CE2 3.92Å; L614-F622 HydrophobicContact CB-CZ 4.23Å; M615-F622 HydrophobicContact CB-CD2 4.39Å; M615-F622 HydrophobicContact CB-CE2 4.22Å; M615-F622 HydrophobicContact CE-CD1 4.31Å; M615-F622 HydrophobicContact CE-CE1 4.04Å; M615-F622 HydrophobicContact CE-CZ 4.26Å; M615-F622 HydrophobicContact CG-CD1 4.5Å; M615-F622 HydrophobicContact CG-CD2 3.63Å; M615-F622 HydrophobicContact CG-CE1 4.35Å; M615-F622 HydrophobicContact CG-CE2 3.44Å; M615-F622 VanDerWaalsContact CG-CE2 3.44Å; M615-F622 HydrophobicContact CG-CG 4.17Å; M615-F622 HydrophobicContact CG-CZ 3.83Å; P619-F622 PolarHBondContact O-N 3.31Å; P619-F622 VanDerWaalsContact O-N 3.08Å; S620-F622 PolarHBondContact O-N 3.17Å; F622-A624 PolarHBondContact O-N 3.47Å
623	E	38	Very low	44.4	Very low	157 Å²	157	113.5 Å²	113.5	73%	0.734	65%	0.646	S	S	*	*			trans	-87	77.4	174.6	-71.2	-175.7	165.9	0	0	110.5	D625	E623-D625 PolarHBondContact O-N 3.18Å
624	A	36.8	Very low	42.7	Very low	100 Å²	100	112.9 Å²	112.9	83%	0.826	66%	0.661	S	S	*	*			trans	-91.4	83.2	164.1	0	0	0	0	0	108.5	F622 G626	F622-A624 PolarHBondContact O-N 3.47Å; A624-G626 PolarHBondContact O-N 3.43Å
625	D	30	Very low	41.3	Very low	160 Å²	160	118.9 Å²	118.9	86%	0.856	69%	0.687	S	S	*	*			trans	-71.7	118.3	171.5	-150.5	8.3	0	0	0	108.8	E623 T627	E623-D625 PolarHBondContact O-N 3.18Å; D625-T627 PolarHBondContact O-N 3.22Å
626	G	31.1	Very low	40.1	Very low	64 Å²	64	121 Å²	121	66%	0.66	71%	0.714	S	S	*	*			trans	-88.2	102	-172.9	0	0	0	0	0	110.9	A624	A624-G626 PolarHBondContact O-N 3.43Å
627	T	33.5	Very low	38.5	Very low	129 Å²	129	119.6 Å²	119.6	79%	0.791	72%	0.721	S	S	*	*			trans	-149.6	115.2	152	42.1	0	0	0	0	112.4	D625	D625-T627 PolarHBondContact O-N 3.22Å
628	T	32	Very low	36.9	Very low	129 Å²	129	117.8 Å²	117.8	79%	0.791	73%	0.733	S	S	*	*			trans	-5.5	129.3	156.1	53.2	0	0	0	0	121.5
629	S	30.1	Very low	36.2	Very low	113 Å²	113	119.2 Å²	119.2	79%	0.79	74%	0.743	S	S	*	*			trans	71.9	114	138.1	85.1	0	0	0	0	120.7
630	R	27.3	Very low	35.5	Very low	248 Å²	248	120.3 Å²	120.3	94%	0.936	75%	0.75	S	S	*	*				151	108.7	116.6	-175.7	158.9	149.1	174.7	-9.3	111.2
631	A	31.9	Very low	35	Very low	87 Å²	87	119.4 Å²	119.4	72%	0.719	75%	0.748	S	S	*	*			trans	-91.5	-177.5	171.1	0	0	0	0	0	110.4
632	P	39.3	Very low	34.1	Very low	121 Å²	121	118.8 Å²	118.8	79%	0.786	75%	0.751	S	S	*	*			cis	-135.9	167.7	-45.9	32	-14.8	0	0	0	112.4
633	S	32.2	Very low	33.3	Very low	122 Å²	122	120.4 Å²	120.4	85%	0.853	76%	0.763	S	S	*	*			trans	176.6	129.4	137.7	55.3	0	0	0	0	111.6
634	G	30.3	Very low	33.5	Very low	73 Å²	73	115.2 Å²	115.2	75%	0.753	74%	0.744	S	S	*	*			trans	110.1	117.9	154.4	0	0	0	0	0	116.2
635	E	29.3	Very low	33.9	Very low	201 Å²	201	112.7 Å²	112.7	94%	0.939	72%	0.723	S	S	*	*			trans	84	129.6	156.7	-62.9	178.4	162.8	0	0	118.7	D637	E635-D637 PolarHBondContact O-N 3.23Å
636	A	29.9	Very low	34.6	Very low	104 Å²	104	109.4 Å²	109.4	86%	0.86	71%	0.705	S	S	*	*			trans	-83.2	109.3	-162.1	0	0	0	0	0	110.6
637	D	33.3	Very low	35.2	Very low	159 Å²	159	109.3 Å²	109.3	85%	0.85	70%	0.698	S	S	*	*			trans	-137.5	138.3	165.4	-111.5	-24.5	0	0	0	109.5	E635 N639	E635-D637 PolarHBondContact O-N 3.23Å; D637-N639 PolarHBondContact O-N 2.92Å
638	G	32.5	Very low	35.7	Very low	79 Å²	79	111.2 Å²	111.2	81%	0.814	69%	0.691	S	S	*	*			trans	-58.8	104.6	-170.3	0	0	0	0	0	112.8	P640	G638-P640 WeakPolarHBondContact O-CD 3.4Å
639	N	32.6	Very low	36.9	Very low	121 Å²	121	109.7 Å²	109.7	65%	0.647	68%	0.678	S	S	*	*			trans	-82.1	121.4	-171.9	-160.7	-10.5	0	0	0	111.8	D637 A641	D637-N639 PolarHBondContact O-N 2.92Å; N639-A641 PolarHBondContact O-N 3.4Å; N639-A641 VanDerWaalsContact O-N 3.11Å
640	P	38.8	Very low	37.9	Very low	98 Å²	98	112.3 Å²	112.3	64%	0.636	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	-7.8	-179.7	24.6	-33.9	0	0	0	115	G638 A642 I643	G638-P640 WeakPolarHBondContact O-CD 3.4Å; P640-A642 VanDerWaalsContact C-N 3.34Å; P640-A642 PolarHBondContact O-N 3.34Å; P640-I643 PolarHBondContact O-N 2.93Å
641	A	37.7	Very low	38.7	Very low	67 Å²	67	103.2 Å²	103.2	55%	0.554	64%	0.641	S	S	*	*	H	α-helix	trans	-67.6	-27.2	-179.8	0	0	0	0	0	114.5	N639 I643	N639-A641 PolarHBondContact O-N 3.4Å; N639-A641 VanDerWaalsContact O-N 3.11Å; A641-I643 VanDerWaalsContact C-N 3.34Å; A641-I643 PolarHBondContact O-N 2.88Å
642	A	38.1	Very low	39.7	Very low	67 Å²	67	100.3 Å²	100.3	55%	0.554	62%	0.62	S	S	*	*	H	α-helix	trans	-72.2	-26.2	-178.5	0	0	0	0	0	113.2	P640	P640-A642 VanDerWaalsContact C-N 3.34Å; P640-A642 PolarHBondContact O-N 3.34Å
643	I	35.2	Very low	40.7	Very low	130 Å²	130	101.1 Å²	101.1	67%	0.667	61%	0.613	S	S	*	*	H	α-helix	trans	-72.8	-36.7	-177.6	-59	174.6	0	0	0	110.8	P640 A641 A645 N646 A647	P640-I643 PolarHBondContact O-N 2.93Å; A641-I643 VanDerWaalsContact C-N 3.34Å; A641-I643 PolarHBondContact O-N 2.88Å; I643-A645 PolarHBondContact O-N 3.27Å; I643-N646 PolarHBondContact O-N 3.29Å; I643-A647 PolarHBondContact O-N 3.02Å
644	S	41.8	Very low	41.3	Very low	48 Å²	48	100.1 Å²	100.1	34%	0.336	60%	0.596	S	S	.	*	H	α-helix	trans	-63.5	-40.1	179.3	177.1	0	0	0	0	113.3	R648	S644-R648 PolarHBondContact O-N 2.73Å
645	A	44.2	Very low	42.1	Very low	47 Å²	47	100 Å²	100	39%	0.388	58%	0.578	S	S	.	*	H	α-helix	trans	-68.8	-39.3	179.7	0	0	0	0	0	112.4	I643 R648 N649	I643-A645 PolarHBondContact O-N 3.27Å; A645-R648 PolarHBondContact O-N 3.35Å; A645-N649 PolarHBondContact O-N 3.18Å; A645-N649 VanDerWaalsContact O-N 3.13Å; A645-N649 PolarHBondContact O-ND2 2.94Å
646	N	46.1	Very low	43.3	Very low	90 Å²	90	96.7 Å²	96.7	48%	0.481	56%	0.557	S	S	.	*	H	α-helix	trans	-67.3	-37.7	177.4	-81.3	-9.1	0	0	0	112.3	I643 R648 N649 Y650	I643-N646 PolarHBondContact O-N 3.29Å; N646-R648 PolarHBondContact O-N 3.26Å; N646-N649 PolarHBondContact O-N 2.9Å; N646-Y650 PolarHBondContact O-N 2.64Å
647	A	43.5	Very low	44.4	Very low	62 Å²	62	98.7 Å²	98.7	51%	0.512	55%	0.548	S	S	.	.	H	α-helix	trans	-62	-42.9	175.6	0	0	0	0	0	112.4	I643 Y650 L651	I643-A647 PolarHBondContact O-N 3.02Å; A647-Y650 PolarHBondContact O-N 2.72Å; A647-L651 PolarHBondContact O-N 2.78Å; A647-L651 VanDerWaalsContact O-N 3.08Å
648	R	44.5	Very low	44.5	Very low	169 Å²	169	96.4 Å²	96.4	64%	0.638	54%	0.536	S	S	*	.	H	α-helix	trans	-64.6	-40.7	176.5	-68.8	-177.4	-168.4	133.4	1.4	112.4	S644 A645 N646 L651 G652	S644-R648 PolarHBondContact O-N 2.73Å; A645-R648 PolarHBondContact O-N 3.35Å; N646-R648 PolarHBondContact O-N 3.26Å; R648-L651 PolarHBondContact O-N 3.18Å; R648-G652 PolarHBondContact O-N 2.98Å
649	N	57.4	Low	44.9	Very low	97 Å²	97	96.3 Å²	96.3	52%	0.519	53%	0.527	S	S	.	.	H	α-helix	trans	-65.8	-39.4	176.9	-77.5	-29.2	0	0	0	112.3	A645 N646 G652 Q653	A645-N649 PolarHBondContact O-N 3.18Å; A645-N649 VanDerWaalsContact O-N 3.13Å; A645-N649 PolarHBondContact O-ND2 2.94Å; N646-N649 PolarHBondContact O-N 2.9Å; N649-G652 PolarHBondContact O-N 3.46Å; N649-Q653 PolarHBondContact O-N 2.87Å
650	Y	49.2	Very low	45.6	Very low	168 Å²	168	97.2 Å²	97.2	66%	0.659	53%	0.532	S	S	*	.	H	α-helix	trans	-63.9	-44.3	176.8	-123	-88.1	0	0	0	111.9	N646 A647 G652 Q653 M654	N646-Y650 PolarHBondContact O-N 2.64Å; A647-Y650 PolarHBondContact O-N 2.72Å; Y650-G652 VanDerWaalsContact C-N 3.34Å; Y650-G652 PolarHBondContact O-N 2.73Å; Y650-Q653 PolarHBondContact O-N 3.37Å; Y650-M654 WeakPolarHBondContact O-CB 3.49Å; Y650-M654 PolarHBondContact O-N 2.59Å
651	L	44.3	Very low	45.5	Very low	58 Å²	58	97 Å²	97	30%	0.304	52%	0.524	S	S	.	.	H	α-helix	trans	-64.4	-39.6	177.7	-165.1	127.4	0	0	0	111.6	V528 A647 R648 M654 L655	V528-L651 HydrophobicContact CG1-CD2 4.07Å; A647-L651 PolarHBondContact O-N 2.78Å; A647-L651 VanDerWaalsContact O-N 3.08Å; R648-L651 PolarHBondContact O-N 3.18Å; L651-M654 PolarHBondContact O-N 3.35Å; L651-L655 HydrophobicContact CD2-CD1 3.68Å; L651-L655 HydrophobicContact CG-CD1 4.26Å; L651-L655 PolarHBondContact O-N 3.41Å; L651-L655 VanDerWaalsContact O-N 3.1Å
652	G	54.4	Low	45.3	Very low	26 Å²	26	100.2 Å²	100.2	27%	0.268	53%	0.533	S	S	.	.	H	α-helix	trans	-64.1	-37.4	174.6	0	0	0	0	0	114.2	R648 N649 Y650 R656	R648-G652 PolarHBondContact O-N 2.98Å; N649-G652 PolarHBondContact O-N 3.46Å; Y650-G652 VanDerWaalsContact C-N 3.34Å; Y650-G652 PolarHBondContact O-N 2.73Å; G652-R656 PolarHBondContact O-N 2.76Å
653	Q	59.1	Low	45.1	Very low	137 Å²	137	103.2 Å²	103.2	64%	0.64	54%	0.544	S	S	*	.	H	α-helix	trans	-69.6	-41.4	174.2	-94.8	-173.1	11.7	0	0	112.4	N649 Y650 L655 R656 Q657	N649-Q653 PolarHBondContact O-N 2.87Å; Y650-Q653 PolarHBondContact O-N 3.37Å; Q653-L655 VanDerWaalsContact C-N 3.34Å; Q653-L655 PolarHBondContact O-N 3.48Å; Q653-R656 PolarHBondContact O-N 2.79Å; Q653-Q657 PolarHBondContact O-N 2.68Å
654	M	45.1	Very low	45	Very low	101 Å²	101	102.2 Å²	102.2	50%	0.498	56%	0.555	S	S	.	*	H	α-helix	trans	-62.4	-42.2	179.9	-162.4	-169.8	-53	0	0	111.6	Y650 L651 R656 Q657 L658	Y650-M654 WeakPolarHBondContact O-CB 3.49Å; Y650-M654 PolarHBondContact O-N 2.59Å; L651-M654 PolarHBondContact O-N 3.35Å; M654-R656 VanDerWaalsContact C-N 3.34Å; M654-R656 PolarHBondContact O-N 2.75Å; M654-Q657 PolarHBondContact O-N 3.02Å; M654-L658 PolarHBondContact O-N 2.74Å
655	L	47.5	Very low	44.6	Very low	71 Å²	71	109.1 Å²	109.1	37%	0.372	58%	0.582	S	S	.	*	H	α-helix	trans	-65.4	-32.8	176.1	-93	144.3	0	0	0	113.3	V528 L651 Q653 L658 A659	V528-L655 HydrophobicContact CG2-CD1 4.1Å; L651-L655 HydrophobicContact CD2-CD1 3.68Å; L651-L655 HydrophobicContact CG-CD1 4.26Å; L651-L655 PolarHBondContact O-N 3.41Å; L651-L655 VanDerWaalsContact O-N 3.1Å; Q653-L655 VanDerWaalsContact C-N 3.34Å; Q653-L655 PolarHBondContact O-N 3.48Å; L655-L658 PolarHBondContact O-N 3.49Å; L655-A659 PolarHBondContact O-N 3.31Å
656	R	53.8	Low	44.7	Very low	132 Å²	132	111.9 Å²	111.9	50%	0.498	60%	0.596	S	S	.	*	H	α-helix	trans	-67.8	-35.9	174	-78.3	-175.3	-177.6	-173.3	3.3	112.9	G652 Q653 M654 A659	G652-R656 PolarHBondContact O-N 2.76Å; Q653-R656 PolarHBondContact O-N 2.79Å; M654-R656 VanDerWaalsContact C-N 3.34Å; M654-R656 PolarHBondContact O-N 2.75Å; R656-A659 PolarHBondContact O-N 3.1Å
657	Q	52.9	Low	44.3	Very low	145 Å²	145	113 Å²	113	68%	0.678	61%	0.608	S	S	*	*	H	α-helix	trans	-68.9	-35.8	176.9	-80.2	-178.6	-17.4	0	0	112.1	Q653 M654 A659 N660	Q653-Q657 PolarHBondContact O-N 2.68Å; M654-Q657 PolarHBondContact O-N 3.02Å; Q657-A659 VanDerWaalsContact C-N 3.31Å; Q657-A659 PolarHBondContact O-N 2.92Å; Q657-N660 PolarHBondContact O-N 2.74Å
658	L	36.4	Very low	43.7	Very low	112 Å²	112	115.6 Å²	115.6	59%	0.586	62%	0.618	S	S	*	*	H	α-helix	trans	-65.3	-31.8	176.3	-82.1	163.5	0	0	0	113.1	M654 L655 N660	M654-L658 PolarHBondContact O-N 2.74Å; L655-L658 PolarHBondContact O-N 3.49Å; L658-N660 PolarHBondContact O-N 2.77Å
659	A	40.3	Very low	43	Very low	76 Å²	76	114.8 Å²	114.8	63%	0.628	62%	0.621	S	S	*	*	H	α-helix	trans	-71.7	-25.1	-179	0	0	0	0	0	114.4	L655 R656 Q657	L655-A659 PolarHBondContact O-N 3.31Å; R656-A659 PolarHBondContact O-N 3.1Å; Q657-A659 VanDerWaalsContact C-N 3.31Å; Q657-A659 PolarHBondContact O-N 2.92Å
660	N	46.4	Very low	41.7	Very low	141 Å²	141	116.5 Å²	116.5	75%	0.754	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	-3.3	-173.7	-85.4	1.8	0	0	0	114.9	Q657 L658 N662	Q657-N660 PolarHBondContact O-N 2.74Å; L658-N660 PolarHBondContact O-N 2.77Å; N660-N662 VanDerWaalsContact C-N 3.31Å; N660-N662 PolarHBondContact O-N 3.3Å
661	L	37.4	Very low	40.8	Very low	92 Å²	92	115.3 Å²	115.3	48%	0.482	63%	0.627	S	S	.	*	T	Hydrogen-bonded Turn	trans	-83.5	4.4	-171.4	-74.7	162.9	0	0	0	115.1	L466	L466-L661 HydrophobicContact CD1-CD2 4.03Å; L466-L661 HydrophobicContact CD2-CD2 4.3Å; L466-L661 HydrophobicContact CG-CD2 4.29Å
662	N	33.1	Very low	40.2	Very low	136 Å²	136	118.9 Å²	118.9	73%	0.727	64%	0.641	S	S	*	*			trans	-97.7	21.1	-164.6	-148.4	22.3	0	0	0	116.7	N660	N660-N662 VanDerWaalsContact C-N 3.31Å; N660-N662 PolarHBondContact O-N 3.3Å
663	T	34	Very low	39	Very low	129 Å²	129	124.4 Å²	124.4	79%	0.791	66%	0.661	S	S	*	*			trans	-145.8	123.1	179.6	56.1	0	0	0	0	114.8
664	A	33.4	Very low	37.5	Very low	109 Å²	109	124.9 Å²	124.9	90%	0.901	66%	0.663	S	S	*	*			trans	102.6	122.8	151.6	0	0	0	0	0	120.1
665	H	33.9	Very low	36.9	Very low	193 Å²	193	129 Å²	129	89%	0.894	68%	0.68	S	S	*	*			trans	-102.3	166.3	-179.4	-102.1	-41.3	0	0	0	112.6
666	P	46.6	Very low	35.9	Very low	106 Å²	106	134.7 Å²	134.7	69%	0.688	71%	0.705	S	S	*	*			trans	-101.2	-168.5	-162.2	44.6	-37.8	0	0	0	113.6
667	P	36.9	Very low	34.9	Very low	112 Å²	112	134.3 Å²	134.3	73%	0.727	72%	0.72	S	S	*	*				-166.5	169.7	79.3	48.3	-25.5	0	0	0	120.9
668	T	30.9	Very low	33.7	Very low	117 Å²	117	134.2 Å²	134.2	72%	0.718	73%	0.729	S	S	*	*			trans	67.6	144	142.2	6.9	0	0	0	0	129.7
669	Q	30.2	Very low	33.6	Very low	153 Å²	153	132.6 Å²	132.6	72%	0.715	74%	0.74	S	S	*	*			trans	90.5	138.2	146.7	-73.6	176	50.6	0	0	118.3
670	Q	30.8	Very low	33.2	Very low	133 Å²	133	132.9 Å²	132.9	62%	0.621	75%	0.75	S	S	*	*			cis	-174.7	155	20	-116.7	174.2	29.8	0	0	111.6
671	Q	29.8	Very low	33.3	Very low	143 Å²	143	129 Å²	129	67%	0.668	74%	0.744	S	S	*	*			trans	62.3	143.9	145.4	-69.2	174.3	18.6	0	0	120.4
672	Q	30.8	Very low	34.4	Very low	132 Å²	132	129.9 Å²	129.9	62%	0.617	75%	0.749	S	S	*	*			cis	-174.1	146.7	16.3	-120.1	167.8	25.3	0	0	110.7
673	Q	28.9	Very low	35.9	Very low	143 Å²	143	125.7 Å²	125.7	67%	0.668	73%	0.729	S	S	*	*			trans	56.9	145.4	139.3	-68.1	171.4	16.5	0	0	120.5
674	Q	27.9	Very low	37.9	Very low	146 Å²	146	123.9 Å²	123.9	68%	0.682	71%	0.712	S	S	*	*			cis	-176.6	154.3	10.7	-117.3	168.7	26.3	0	0	107.6
675	Q	32	Very low	39.9	Very low	187 Å²	187	123.9 Å²	123.9	87%	0.874	70%	0.7	S	S	*	*			trans	128.2	118	149.9	-70.3	167.7	27.6	0	0	117
676	Q	26.9	Very low	41.8	Very low	191 Å²	191	120.6 Å²	120.6	89%	0.893	69%	0.688	S	S	*	*			trans	-80.1	156.1	176	-74.5	164.5	-30.2	0	0	113
677	P	32.8	Very low	43.6	Very low	124 Å²	124	116.9 Å²	116.9	81%	0.805	66%	0.662	S	S	*	*			trans	-122.9	129.8	141.9	26.9	-10.8	0	0	0	112.9
678	T	28.5	Very low	45.9	Very low	143 Å²	143	115.5 Å²	115.5	88%	0.877	65%	0.654	S	S	*	*			trans	-58.3	140.7	158.4	44.3	0	0	0	0	112
679	G	33.1	Very low	48.6	Very low	79 Å²	79	116.5 Å²	116.5	81%	0.814	65%	0.651	S	S	*	*			trans	-167.3	86.7	171.7	0	0	0	0	0	114.2
680	G	33.5	Very low	51.4	Low	81 Å²	81	111.3 Å²	111.3	84%	0.835	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-72.4	120.9	158.2	0	0	0	0	0	108.7
681	G	48.5	Very low	54.1	Low	60 Å²	60	106 Å²	106	62%	0.619	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-84.6	121.7	179.8	0	0	0	0	0	111.1
682	D	60.9	Low	56.9	Low	111 Å²	111	101.1 Å²	101.1	59%	0.594	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-58.9	136.2	174.7	-67.6	-48.2	0	0	0	110.9	E684 V685	D682-E684 PolarHBondContact O-N 3.45Å; D682-V685 HydrophobicContact CB-CG2 4.38Å; D682-V685 PolarHBondContact O-N 3.28Å
683	P	63.2	Low	59.7	Low	48 Å²	48	98.6 Å²	98.6	31%	0.312	58%	0.579	S	S	.	*	H	α-helix	trans	-59.8	-21.5	-178.1	24.9	-34.8	0	0	0	113.2	V685 F687 V706 L710	P683-V685 VanDerWaalsContact C-N 3.33Å; P683-F687 WeakPolarHBondContact O-CD2 3.28Å; P683-F687 PolarHBondContact O-N 3.31Å; P683-V706 HydrophobicContact CB-CG1 4.37Å; P683-V706 HydrophobicContact CG-CG1 4.35Å; P683-L710 HydrophobicContact CB-CD1 4.23Å; P683-L710 HydrophobicContact CB-CD2 4.05Å; P683-L710 HydrophobicContact CB-CG 4.33Å; P683-L710 HydrophobicContact CG-CD1 4.49Å
684	E	75.6	Confident	62.4	Low	91 Å²	91	91.8 Å²	91.8	43%	0.425	55%	0.547	S	S	.	.	H	α-helix	trans	-66.9	-32.9	175	-64.9	-174.7	171.9	0	0	113.1	D682 S688 H702 V706	D682-E684 PolarHBondContact O-N 3.45Å; E684-S688 PolarHBondContact O-N 3.42Å; E684-H702 IonicContact OE1-CE1 3.81Å; E684-H702 IonicContact OE1-NE2 3.84Å; E684-V706 HydrophobicContact CG-CG2 4.05Å
685	V	76.7	Confident	65.3	Low	108 Å²	108	93.9 Å²	93.9	66%	0.655	55%	0.549	S	S	*	.	H	α-helix	trans	-77.5	-36.1	-179.9	-175.7	0	0	0	0	110.5	D682 P683 F687	D682-V685 HydrophobicContact CB-CG2 4.38Å; D682-V685 PolarHBondContact O-N 3.28Å; P683-V685 VanDerWaalsContact C-N 3.33Å; V685-F687 VanDerWaalsContact C-N 3.33Å; V685-F687 PolarHBondContact O-N 3.06Å
686	L	73.4	Confident	67.9	Low	124 Å²	124	89.7 Å²	89.7	65%	0.649	54%	0.54	S	S	*	.	H	α-helix	trans	-64.7	-37.4	177.4	-68.7	174.6	0	0	0	112.4
687	F	83.5	Confident	70.5	Confident	29 Å²	29	85.2 Å²	85.2	13%	0.127	52%	0.52	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	24.4	-174.9	-56.6	-60.6	0	0	0	114.4	P683 V685 E689 Q690 L691 L709 L710 G714	P683-F687 WeakPolarHBondContact O-CD2 3.28Å; P683-F687 PolarHBondContact O-N 3.31Å; V685-F687 VanDerWaalsContact C-N 3.33Å; V685-F687 PolarHBondContact O-N 3.06Å; F687-E689 VanDerWaalsContact C-N 3.29Å; F687-E689 PolarHBondContact O-N 3.3Å; F687-Q690 VanDerWaalsContact C-OE1 3.27Å; F687-Q690 VanDerWaalsContact CA-OE1 3.26Å; F687-Q690 HydrophobicContact CB-CB 4.42Å; F687-Q690 PolarHBondContact O-N 3.49Å; F687-Q690 PolarHBondContact O-OE1 3.46Å; F687-L691 HydrophobicContact CB-CG 4.4Å; F687-L691 WeakPolarHBondContact O-CB 2.94Å; F687-L691 VanDerWaalsContact O-CG 3.26Å; F687-L691 WeakPolarHBondContact O-CG 3.47Å; F687-L691 PolarHBondContact O-N 2.97Å; F687-L709 HydrophobicContact CB-CB 4.37Å; F687-L709 HydrophobicContact CB-CD1 4Å; F687-L709 HydrophobicContact CD1-CB 4.39Å; F687-L709 HydrophobicContact CD2-CB 4.11Å; F687-L709 HydrophobicContact CG-CB 4.05Å; F687-L710 HydrophobicContact CE2-CD2 4.11Å; F687-L710 HydrophobicContact CE2-CG 4.16Å; F687-G714 VanDerWaalsContact CE1-CA 3.48Å
688	S	86.4	Confident	73	Confident	82 Å²	82	81.6 Å²	81.6	57%	0.573	51%	0.506	S	S	*	.	H	α-helix	trans	-60	-36.9	-172.5	66.8	0	0	0	0	113.6	E684 G692	E684-S688 PolarHBondContact O-N 3.42Å; S688-G692 PolarHBondContact O-N 3.42Å; S688-G692 VanDerWaalsContact O-N 3.11Å
689	E	86.8	Confident	75.7	Confident	138 Å²	138	75.8 Å²	75.8	65%	0.645	47%	0.468	S	S	*	.	H	α-helix	trans	-70.9	-44	179.1	-168.7	179.5	167.6	0	0	111	F687 G692 Q693	F687-E689 VanDerWaalsContact C-N 3.29Å; F687-E689 PolarHBondContact O-N 3.3Å; E689-G692 WeakPolarHBondContact O-CA 3.48Å; E689-G692 PolarHBondContact O-N 3.3Å; E689-G692 VanDerWaalsContact O-N 3.15Å; E689-Q693 WeakPolarHBondContact O-CG 2.83Å; E689-Q693 PolarHBondContact O-N 2.83Å
690	Q	90	Very high	78.1	Confident	45 Å²	45	78.1 Å²	78.1	21%	0.21	47%	0.466	C	S	.	.	H	α-helix	trans	-66.3	-38.9	178.6	-63.4	87	-19.2	0	0	111.9	F687 G692 Q693 L694 L709 G714 V716	F687-Q690 VanDerWaalsContact C-OE1 3.27Å; F687-Q690 VanDerWaalsContact CA-OE1 3.26Å; F687-Q690 HydrophobicContact CB-CB 4.42Å; F687-Q690 PolarHBondContact O-N 3.49Å; F687-Q690 PolarHBondContact O-OE1 3.46Å; Q690-G692 VanDerWaalsContact C-N 3.3Å; Q690-G692 PolarHBondContact O-N 2.96Å; Q690-Q693 PolarHBondContact O-N 2.85Å; Q690-L694 PolarHBondContact O-N 3.27Å; Q690-L709 HydrophobicContact CB-CD1 3.63Å; Q690-L709 HydrophobicContact CB-CD2 3.57Å; Q690-L709 HydrophobicContact CB-CG 4.25Å; Q690-L709 HydrophobicContact CG-CD2 4.1Å; Q690-G714 WeakPolarHBondContact CG-O 3.48Å; Q690-V716 HydrophobicContact CB-CG2 3.72Å; Q690-V716 HydrophobicContact CG-CG2 3.63Å
691	L	88.3	Confident	80.6	Confident	20 Å²	20	78.9 Å²	78.9	11%	0.105	45%	0.451	C	S	.	.	H	α-helix	trans	-62.8	-38.9	172.2	-73.2	169.6	0	0	0	111.2	F687 R695 N705 V706 L709	F687-L691 HydrophobicContact CB-CG 4.4Å; F687-L691 WeakPolarHBondContact O-CB 2.94Å; F687-L691 VanDerWaalsContact O-CG 3.26Å; F687-L691 WeakPolarHBondContact O-CG 3.47Å; F687-L691 PolarHBondContact O-N 2.97Å; L691-R695 VanDerWaalsContact O-CB 3.28Å; L691-R695 WeakPolarHBondContact O-CB 3.44Å; L691-R695 PolarHBondContact O-N 2.93Å; L691-N705 HydrophobicContact CD2-CB 3.64Å; L691-V706 HydrophobicContact CD1-CG2 4.01Å; L691-V706 HydrophobicContact CD2-CG2 3.73Å; L691-V706 HydrophobicContact CG-CG2 4.48Å; L691-L709 HydrophobicContact CD2-CD1 3.72Å; L691-L709 HydrophobicContact CG-CD1 3.82Å
692	G	88.2	Confident	82.3	Confident	41 Å²	41	80.4 Å²	80.4	42%	0.423	44%	0.442	S	S	.	.	H	α-helix	trans	-59.6	-44.3	171.1	0	0	0	0	0	112.5	S688 E689 Q690 R695 S696	S688-G692 PolarHBondContact O-N 3.42Å; S688-G692 VanDerWaalsContact O-N 3.11Å; E689-G692 WeakPolarHBondContact O-CA 3.48Å; E689-G692 PolarHBondContact O-N 3.3Å; E689-G692 VanDerWaalsContact O-N 3.15Å; Q690-G692 VanDerWaalsContact C-N 3.3Å; Q690-G692 PolarHBondContact O-N 2.96Å; G692-R695 PolarHBondContact O-N 2.98Å; G692-S696 PolarHBondContact O-N 3.04Å
693	Q	88	Confident	83.5	Confident	80 Å²	80	81.2 Å²	81.2	37%	0.374	44%	0.442	S	S	.	.	H	α-helix	trans	-66.1	-47.8	177.2	-68.2	-177.8	19.3	0	0	112.3	E689 Q690 R695 S696 M697 V716	E689-Q693 WeakPolarHBondContact O-CG 2.83Å; E689-Q693 PolarHBondContact O-N 2.83Å; Q690-Q693 PolarHBondContact O-N 2.85Å; Q693-R695 VanDerWaalsContact C-N 3.28Å; Q693-R695 PolarHBondContact O-N 2.81Å; Q693-S696 PolarHBondContact O-N 3.29Å; Q693-S696 VanDerWaalsContact O-N 3.09Å; Q693-S696 PolarHBondContact O-OG 2.95Å; Q693-M697 PolarHBondContact O-N 3.28Å; Q693-V716 HydrophobicContact CB-CG1 4.24Å; Q693-V716 HydrophobicContact CB-CG2 4.48Å
694	L	87.4	Confident	84.7	Confident	0 Å²	0	80.3 Å²	80.3	0%	0	44%	0.439	C	S	.	.	H	α-helix	trans	-59.1	-39.5	175.8	-76.5	176.7	0	0	0	112	Q690 M697 G698 F699 N705 L709 V716 A719 V720 L723	Q690-L694 PolarHBondContact O-N 3.27Å; L694-M697 HydrophobicContact CD2-CE 3.85Å; L694-M697 HydrophobicContact CG-CE 4.5Å; L694-M697 PolarHBondContact O-N 2.89Å; L694-G698 PolarHBondContact O-N 2.77Å; L694-F699 HydrophobicContact CB-CB 4.39Å; L694-F699 HydrophobicContact CD2-CD2 4.02Å; L694-F699 WeakPolarHBondContact O-CB 3.47Å; L694-F699 PolarHBondContact O-N 2.84Å; L694-N705 HydrophobicContact CB-CB 4.46Å; L694-N705 HydrophobicContact CD1-CB 3.66Å; L694-L709 HydrophobicContact CD1-CD1 3.6Å; L694-L709 HydrophobicContact CD1-CD2 4.14Å; L694-L709 HydrophobicContact CD1-CG 3.72Å; L694-V716 HydrophobicContact CD2-CG1 4.37Å; L694-A719 HydrophobicContact CD1-CB 4.23Å; L694-A719 HydrophobicContact CD2-CB 4.4Å; L694-V720 HydrophobicContact CD2-CG2 3.66Å; L694-L723 HydrophobicContact CD1-CD1 4.09Å; L694-L723 HydrophobicContact CD2-CD1 3.84Å
695	R	87.5	Confident	85.4	Confident	189 Å²	189	76.2 Å²	76.2	71%	0.713	42%	0.42	S	S	*	.	H	α-helix	trans	-64.9	-40.2	175.3	-162.4	179.4	-147.1	177.9	7.8	111.9	L691 G692 Q693 M697 G698	L691-R695 VanDerWaalsContact O-CB 3.28Å; L691-R695 WeakPolarHBondContact O-CB 3.44Å; L691-R695 PolarHBondContact O-N 2.93Å; G692-R695 PolarHBondContact O-N 2.98Å; Q693-R695 VanDerWaalsContact C-N 3.28Å; Q693-R695 PolarHBondContact O-N 2.81Å; R695-M697 VanDerWaalsContact C-N 3.27Å; R695-M697 PolarHBondContact O-N 2.88Å; R695-G698 PolarHBondContact O-N 3.15Å
696	S	86.6	Confident	85.9	Confident	100 Å²	100	71.4 Å²	71.4	70%	0.699	39%	0.391	S	S	*	.	H	α-helix	trans	-66.2	-27.8	176.3	77.7	0	0	0	0	113.3	G692 Q693 G698	G692-S696 PolarHBondContact O-N 3.04Å; Q693-S696 PolarHBondContact O-N 3.29Å; Q693-S696 VanDerWaalsContact O-N 3.09Å; Q693-S696 PolarHBondContact O-OG 2.95Å; S696-G698 VanDerWaalsContact C-N 3.28Å; S696-G698 PolarHBondContact O-N 3.12Å
697	M	81.5	Confident	86.7	Confident	96 Å²	96	69.9 Å²	69.9	47%	0.473	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	0.2	175.2	-68.4	-173.1	-73.5	0	0	113.9	Q693 L694 R695 F699 V716 V720	Q693-M697 PolarHBondContact O-N 3.28Å; L694-M697 HydrophobicContact CD2-CE 3.85Å; L694-M697 HydrophobicContact CG-CE 4.5Å; L694-M697 PolarHBondContact O-N 2.89Å; R695-M697 VanDerWaalsContact C-N 3.27Å; R695-M697 PolarHBondContact O-N 2.88Å; M697-F699 HydrophobicContact CB-CD2 4.14Å; M697-F699 HydrophobicContact CB-CE2 4.35Å; M697-V716 HydrophobicContact CE-CG1 3.35Å; M697-V720 HydrophobicContact CE-CG2 3.53Å; M697-V720 HydrophobicContact SD-CG2 4.05Å
698	G	85.1	Confident	86.9	Confident	48 Å²	48	68.5 Å²	68.5	50%	0.495	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.5	5.3	176.7	0	0	0	0	0	115.1	L694 R695 S696 V700	L694-G698 PolarHBondContact O-N 2.77Å; R695-G698 PolarHBondContact O-N 3.15Å; S696-G698 VanDerWaalsContact C-N 3.28Å; S696-G698 PolarHBondContact O-N 3.12Å; G698-V700 PolarHBondContact O-N 3.13Å; G698-V700 VanDerWaalsContact O-N 3.14Å
699	F	84.9	Confident	87.1	Confident	22 Å²	22	64.6 Å²	64.6	10%	0.096	35%	0.347	C	S	.	.			trans	-80.6	93.7	171.1	-63	-84.4	0	0	0	109.8	L694 M697 N705 V720 L723 L724	L694-F699 HydrophobicContact CB-CB 4.39Å; L694-F699 HydrophobicContact CD2-CD2 4.02Å; L694-F699 WeakPolarHBondContact O-CB 3.47Å; L694-F699 PolarHBondContact O-N 2.84Å; M697-F699 HydrophobicContact CB-CD2 4.14Å; M697-F699 HydrophobicContact CB-CE2 4.35Å; F699-N705 VanDerWaalsContact CB-OD1 3.32Å; F699-N705 WeakPolarHBondContact CB-OD1 3.07Å; F699-N705 PolarHBondContact O-ND2 2.94Å; F699-V720 HydrophobicContact CD2-CG2 4.48Å; F699-V720 HydrophobicContact CE2-CB 4.38Å; F699-V720 HydrophobicContact CE2-CG1 4.04Å; F699-V720 HydrophobicContact CE2-CG2 3.81Å; F699-V720 HydrophobicContact CZ-CG1 4.01Å; F699-V720 HydrophobicContact CZ-CG2 4.44Å; F699-L723 HydrophobicContact CB-CD1 4.2Å; F699-L723 HydrophobicContact CD1-CB 3.84Å; F699-L723 HydrophobicContact CD1-CD1 3.7Å; F699-L723 HydrophobicContact CD1-CG 4.27Å; F699-L723 HydrophobicContact CD2-CD1 4.36Å; F699-L723 HydrophobicContact CE1-CB 3.53Å; F699-L723 HydrophobicContact CE1-CD1 4.12Å; F699-L723 HydrophobicContact CE1-CG 4.42Å; F699-L723 HydrophobicContact CG-CD1 3.83Å; F699-L723 HydrophobicContact CZ-CB 4.21Å; F699-L724 HydrophobicContact CE1-CD2 4.45Å; F699-L724 HydrophobicContact CZ-CD2 4.17Å; F699-L724 HydrophobicContact CZ-CG 4.2Å
700	V	84.5	Confident	87.2	Confident	127 Å²	127	62.7 Å²	62.7	77%	0.77	34%	0.341	S	S	*	.			trans	-81.4	-17.2	-176.1	-68.7	0	0	0	0	114.4	G698 H702	G698-V700 PolarHBondContact O-N 3.13Å; G698-V700 VanDerWaalsContact O-N 3.14Å; V700-H702 PolarHBondContact O-N 3.28Å; V700-H702 VanDerWaalsContact O-N 3.13Å
701	N	85.7	Confident	86.9	Confident	98 Å²	98	66.1 Å²	66.1	52%	0.524	36%	0.358	S	S	.	.			trans	-80.1	98.1	-177.2	-171.3	-21.2	0	0	0	110.7	Q703 A704 N705	N701-Q703 VanDerWaalsContact C-N 3.32Å; N701-Q703 PolarHBondContact O-N 3.36Å; N701-Q703 PolarHBondContact OD1-N 3.25Å; N701-A704 HydrophobicContact CB-CB 3.96Å; N701-A704 PolarHBondContact O-N 3.07Å; N701-A704 PolarHBondContact OD1-N 3.11Å; N701-N705 PolarHBondContact O-N 3.46Å; N701-N705 PolarHBondContact O-OD1 3.03Å
702	H	84.3	Confident	86.9	Confident	92 Å²	92	66.2 Å²	66.2	43%	0.426	36%	0.359	S	S	.	.	H	α-helix	trans	-56.5	-42.8	-176.7	-168	-10.2	0	0	0	112.8	E684 V700 N705 V706	E684-H702 IonicContact OE1-CE1 3.81Å; E684-H702 IonicContact OE1-NE2 3.84Å; V700-H702 PolarHBondContact O-N 3.28Å; V700-H702 VanDerWaalsContact O-N 3.13Å; H702-N705 PolarHBondContact O-N 3.47Å; H702-V706 WeakPolarHBondContact ND1-CG2 3.46Å; H702-V706 VanDerWaalsContact O-CG2 3.29Å; H702-V706 WeakPolarHBondContact O-CG2 3.35Å; H702-V706 PolarHBondContact O-N 3.12Å
703	Q	86.8	Confident	86.5	Confident	127 Å²	127	69.6 Å²	69.6	59%	0.593	38%	0.377	S	S	*	.	H	α-helix	trans	-68.2	-43.3	-177.6	-170.5	66.1	12.5	0	0	111.7	N701 N705 V706 Q707	N701-Q703 VanDerWaalsContact C-N 3.32Å; N701-Q703 PolarHBondContact O-N 3.36Å; N701-Q703 PolarHBondContact OD1-N 3.25Å; Q703-N705 VanDerWaalsContact C-N 3.29Å; Q703-N705 PolarHBondContact O-N 3.12Å; Q703-V706 PolarHBondContact O-N 3.44Å; Q703-Q707 WeakPolarHBondContact O-CB 3.32Å; Q703-Q707 PolarHBondContact O-N 3.35Å
704	A	87.7	Confident	86.3	Confident	29 Å²	29	66.4 Å²	66.4	24%	0.24	37%	0.365	C	S	.	.	H	α-helix	trans	-63.8	-38.7	176.7	0	0	0	0	0	111	N701 Q707 A708 L723	N701-A704 HydrophobicContact CB-CB 3.96Å; N701-A704 PolarHBondContact O-N 3.07Å; N701-A704 PolarHBondContact OD1-N 3.11Å; A704-Q707 PolarHBondContact O-N 3.16Å; A704-A708 VanDerWaalsContact O-CB 3.28Å; A704-A708 WeakPolarHBondContact O-CB 3.2Å; A704-A708 PolarHBondContact O-N 2.72Å; A704-L723 HydrophobicContact CB-CD2 3.69Å
705	N	89.8	Confident	86.2	Confident	6 Å²	6	70.2 Å²	70.2	3%	0.032	39%	0.386	C	S	.	.	H	α-helix	trans	-65.8	-44.3	177.3	-65.6	-4.1	0	0	0	112	L691 L694 F699 N701 H702 Q703 Q707 A708 L709 L723	L691-N705 HydrophobicContact CD2-CB 3.64Å; L694-N705 HydrophobicContact CB-CB 4.46Å; L694-N705 HydrophobicContact CD1-CB 3.66Å; F699-N705 VanDerWaalsContact CB-OD1 3.32Å; F699-N705 WeakPolarHBondContact CB-OD1 3.07Å; F699-N705 PolarHBondContact O-ND2 2.94Å; N701-N705 PolarHBondContact O-N 3.46Å; N701-N705 PolarHBondContact O-OD1 3.03Å; H702-N705 PolarHBondContact O-N 3.47Å; Q703-N705 VanDerWaalsContact C-N 3.29Å; Q703-N705 PolarHBondContact O-N 3.12Å; N705-Q707 VanDerWaalsContact C-N 3.31Å; N705-Q707 PolarHBondContact O-N 3.33Å; N705-A708 PolarHBondContact O-N 2.85Å; N705-L709 WeakPolarHBondContact O-CB 3.47Å; N705-L709 WeakPolarHBondContact O-CD1 3.26Å; N705-L709 VanDerWaalsContact O-CG 3.25Å; N705-L709 WeakPolarHBondContact O-CG 3.36Å; N705-L709 PolarHBondContact O-N 3.28Å; N705-L723 WeakPolarHBondContact OD1-CD1 3.33Å
706	V	88.6	Confident	86.2	Confident	7 Å²	7	62.1 Å²	62.1	4%	0.042	36%	0.357	C	S	.	.	H	α-helix	trans	-61.7	-43.1	175.6	173	0	0	0	0	110	P683 E684 L691 H702 Q703 L709 L710	P683-V706 HydrophobicContact CB-CG1 4.37Å; P683-V706 HydrophobicContact CG-CG1 4.35Å; E684-V706 HydrophobicContact CG-CG2 4.05Å; L691-V706 HydrophobicContact CD1-CG2 4.01Å; L691-V706 HydrophobicContact CD2-CG2 3.73Å; L691-V706 HydrophobicContact CG-CG2 4.48Å; H702-V706 WeakPolarHBondContact ND1-CG2 3.46Å; H702-V706 VanDerWaalsContact O-CG2 3.29Å; H702-V706 WeakPolarHBondContact O-CG2 3.35Å; H702-V706 PolarHBondContact O-N 3.12Å; Q703-V706 PolarHBondContact O-N 3.44Å; V706-L709 PolarHBondContact O-N 3.26Å; V706-L710 HydrophobicContact CG1-CD1 3.77Å; V706-L710 HydrophobicContact CG1-CG 4.46Å; V706-L710 VanDerWaalsContact O-CB 3.31Å; V706-L710 WeakPolarHBondContact O-CB 3.17Å; V706-L710 WeakPolarHBondContact O-CD1 3.09Å; V706-L710 VanDerWaalsContact O-CG 3.29Å; V706-L710 WeakPolarHBondContact O-CG 3.42Å; V706-L710 PolarHBondContact O-N 3.43Å
707	Q	88.5	Confident	86.3	Confident	91 Å²	91	61.4 Å²	61.4	43%	0.425	35%	0.352	S	S	.	.	H	α-helix	trans	-66.1	-41.7	177.4	-172.7	177.5	-6.1	0	0	112.5	Q703 A704 N705 L710 M711	Q703-Q707 WeakPolarHBondContact O-CB 3.32Å; Q703-Q707 PolarHBondContact O-N 3.35Å; A704-Q707 PolarHBondContact O-N 3.16Å; N705-Q707 VanDerWaalsContact C-N 3.31Å; N705-Q707 PolarHBondContact O-N 3.33Å; Q707-L710 PolarHBondContact O-N 3.45Å; Q707-M711 WeakPolarHBondContact O-CB 2.98Å; Q707-M711 VanDerWaalsContact O-CG 3.26Å; Q707-M711 WeakPolarHBondContact O-CG 3.19Å; Q707-M711 PolarHBondContact O-N 2.81Å
708	A	88.6	Confident	86.6	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-62.7	-45	175.9	0	0	0	0	0	110.6	A704 N705 L710 M711 T712 A719 Y722 L723	A704-A708 VanDerWaalsContact O-CB 3.28Å; A704-A708 WeakPolarHBondContact O-CB 3.2Å; A704-A708 PolarHBondContact O-N 2.72Å; N705-A708 PolarHBondContact O-N 2.85Å; A708-L710 VanDerWaalsContact C-N 3.35Å; A708-L710 PolarHBondContact O-N 2.9Å; A708-M711 PolarHBondContact O-N 2.91Å; A708-T712 WeakPolarHBondContact O-CB 3.37Å; A708-T712 WeakPolarHBondContact O-CG2 3.25Å; A708-T712 PolarHBondContact O-N 3.26Å; A708-T712 PolarHBondContact O-OG1 2.88Å; A708-A719 HydrophobicContact CB-CB 3.95Å; A708-Y722 HydrophobicContact CB-CD1 3.86Å; A708-Y722 HydrophobicContact CB-CG 4.46Å; A708-L723 HydrophobicContact CB-CD1 4.06Å; A708-L723 HydrophobicContact CB-CD2 3.94Å; A708-L723 HydrophobicContact CB-CG 3.65Å
709	L	90	Very high	86.7	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-68.7	-31.7	177.7	-70.4	166.7	0	0	0	113.2	F687 Q690 L691 L694 N705 V706 S713 G714 V716 A719	F687-L709 HydrophobicContact CB-CB 4.37Å; F687-L709 HydrophobicContact CB-CD1 4Å; F687-L709 HydrophobicContact CD1-CB 4.39Å; F687-L709 HydrophobicContact CD2-CB 4.11Å; F687-L709 HydrophobicContact CG-CB 4.05Å; Q690-L709 HydrophobicContact CB-CD1 3.63Å; Q690-L709 HydrophobicContact CB-CD2 3.57Å; Q690-L709 HydrophobicContact CB-CG 4.25Å; Q690-L709 HydrophobicContact CG-CD2 4.1Å; L691-L709 HydrophobicContact CD2-CD1 3.72Å; L691-L709 HydrophobicContact CG-CD1 3.82Å; L694-L709 HydrophobicContact CD1-CD1 3.6Å; L694-L709 HydrophobicContact CD1-CD2 4.14Å; L694-L709 HydrophobicContact CD1-CG 3.72Å; N705-L709 WeakPolarHBondContact O-CB 3.47Å; N705-L709 WeakPolarHBondContact O-CD1 3.26Å; N705-L709 VanDerWaalsContact O-CG 3.25Å; N705-L709 WeakPolarHBondContact O-CG 3.36Å; N705-L709 PolarHBondContact O-N 3.28Å; V706-L709 PolarHBondContact O-N 3.26Å; L709-S713 WeakPolarHBondContact O-CA 3.22Å; L709-S713 PolarHBondContact O-N 3.1Å; L709-G714 PolarHBondContact O-N 3.14Å; L709-V716 HydrophobicContact CD2-CG2 4.44Å; L709-A719 HydrophobicContact CD2-CB 3.82Å; L709-A719 HydrophobicContact CG-CB 4.22Å
710	L	88.2	Confident	86.9	Confident	98 Å²	98	56.5 Å²	56.5	51%	0.513	32%	0.323	S	S	.	.	H	α-helix	trans	-65.6	-40.9	169.8	-83.6	161.8	0	0	0	111.6	P683 F687 V706 Q707 A708	P683-L710 HydrophobicContact CB-CD1 4.23Å; P683-L710 HydrophobicContact CB-CD2 4.05Å; P683-L710 HydrophobicContact CB-CG 4.33Å; P683-L710 HydrophobicContact CG-CD1 4.49Å; F687-L710 HydrophobicContact CE2-CD2 4.11Å; F687-L710 HydrophobicContact CE2-CG 4.16Å; V706-L710 HydrophobicContact CG1-CD1 3.77Å; V706-L710 HydrophobicContact CG1-CG 4.46Å; V706-L710 VanDerWaalsContact O-CB 3.31Å; V706-L710 WeakPolarHBondContact O-CB 3.17Å; V706-L710 WeakPolarHBondContact O-CD1 3.09Å; V706-L710 VanDerWaalsContact O-CG 3.29Å; V706-L710 WeakPolarHBondContact O-CG 3.42Å; V706-L710 PolarHBondContact O-N 3.43Å; Q707-L710 PolarHBondContact O-N 3.45Å; A708-L710 VanDerWaalsContact C-N 3.35Å; A708-L710 PolarHBondContact O-N 2.9Å
711	M	85.7	Confident	86.9	Confident	118 Å²	118	56.8 Å²	56.8	58%	0.581	32%	0.316	S	S	*	.	H	α-helix	trans	-74	-32.3	179.3	-72.5	-69.3	-175.5	0	0	112.8	Q707 A708 Y722	Q707-M711 WeakPolarHBondContact O-CB 2.98Å; Q707-M711 VanDerWaalsContact O-CG 3.26Å; Q707-M711 WeakPolarHBondContact O-CG 3.19Å; Q707-M711 PolarHBondContact O-N 2.81Å; A708-M711 PolarHBondContact O-N 2.91Å; M711-Y722 HydrophobicContact CB-CD2 4.39Å; M711-Y722 HydrophobicContact CB-CE2 4.18Å; M711-Y722 HydrophobicContact CG-CE2 4.09Å
712	T	86.6	Confident	87	Confident	21 Å²	21	54.8 Å²	54.8	13%	0.129	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	12.2	-178.7	68.6	0	0	0	0	113.3	A708 G714 D715 A718 A719	A708-T712 WeakPolarHBondContact O-CB 3.37Å; A708-T712 WeakPolarHBondContact O-CG2 3.25Å; A708-T712 PolarHBondContact O-N 3.26Å; A708-T712 PolarHBondContact O-OG1 2.88Å; T712-G714 PolarHBondContact O-N 3.14Å; T712-G714 VanDerWaalsContact O-N 3.13Å; T712-D715 PolarHBondContact O-N 3.49Å; T712-D715 PolarHBondContact OG1-O 2.62Å; T712-A718 VanDerWaalsContact CG2-C 3.45Å; T712-A718 HydrophobicContact CG2-CB 3.65Å; T712-A719 HydrophobicContact CG2-CB 4.46Å; T712-A719 WeakPolarHBondContact OG1-CB 3.48Å
713	S	81	Confident	87.2	Confident	112 Å²	112	51.1 Å²	51.1	78%	0.783	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	35.8	175.9	35.9	0	0	0	0	113.6	L709	L709-S713 WeakPolarHBondContact O-CA 3.22Å; L709-S713 PolarHBondContact O-N 3.1Å
714	G	82.2	Confident	87.1	Confident	13 Å²	13	49.3 Å²	49.3	13%	0.134	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.1	2.5	179.2	0	0	0	0	0	115.8	F687 Q690 L709 T712 V716	F687-G714 VanDerWaalsContact CE1-CA 3.48Å; Q690-G714 WeakPolarHBondContact CG-O 3.48Å; L709-G714 PolarHBondContact O-N 3.14Å; T712-G714 PolarHBondContact O-N 3.14Å; T712-G714 VanDerWaalsContact O-N 3.13Å; G714-V716 PolarHBondContact O-N 3.42Å
715	D	86.7	Confident	86.7	Confident	81 Å²	81	54 Å²	54	43%	0.433	30%	0.3	S	S	.	.			trans	-76.4	116	169	-178.1	9.8	0	0	0	110.5	T712 S717 A718 A719	T712-D715 PolarHBondContact O-N 3.49Å; T712-D715 PolarHBondContact OG1-O 2.62Å; D715-S717 VanDerWaalsContact C-N 3.34Å; D715-S717 PolarHBondContact OD1-N 3.32Å; D715-A718 HydrophobicContact CB-CB 4.17Å; D715-A718 WeakPolarHBondContact OD2-CB 3.42Å; D715-A718 PolarHBondContact OD2-N 3.11Å; D715-A719 VanDerWaalsContact O-CB 3.25Å; D715-A719 WeakPolarHBondContact O-CB 3.49Å; D715-A719 PolarHBondContact O-N 2.78Å
716	V	88.2	Confident	85.9	Confident	19 Å²	19	58.9 Å²	58.9	12%	0.115	32%	0.322	C	S	.	.	H	α-helix	trans	-67.4	-34.1	179.9	177.4	0	0	0	0	111.5	Q690 Q693 L694 M697 L709 G714 A719 V720	Q690-V716 HydrophobicContact CB-CG2 3.72Å; Q690-V716 HydrophobicContact CG-CG2 3.63Å; Q693-V716 HydrophobicContact CB-CG1 4.24Å; Q693-V716 HydrophobicContact CB-CG2 4.48Å; L694-V716 HydrophobicContact CD2-CG1 4.37Å; M697-V716 HydrophobicContact CE-CG1 3.35Å; L709-V716 HydrophobicContact CD2-CG2 4.44Å; G714-V716 PolarHBondContact O-N 3.42Å; V716-A719 PolarHBondContact O-N 2.97Å; V716-V720 VanDerWaalsContact O-CG2 3.28Å; V716-V720 WeakPolarHBondContact O-CG2 3.26Å; V716-V720 PolarHBondContact O-N 2.91Å
717	S	87.4	Confident	84.7	Confident	85 Å²	85	66.8 Å²	66.8	59%	0.594	35%	0.352	S	S	*	.	H	α-helix	trans	-70.6	-48.9	-177.8	-51.5	0	0	0	0	110.7	D715 A719 V720 E721	D715-S717 VanDerWaalsContact C-N 3.34Å; D715-S717 PolarHBondContact OD1-N 3.32Å; S717-A719 VanDerWaalsContact C-N 3.31Å; S717-A719 PolarHBondContact O-N 3.18Å; S717-V720 PolarHBondContact O-N 2.92Å; S717-E721 PolarHBondContact O-N 3.09Å; S717-E721 VanDerWaalsContact O-N 3.1Å
718	A	87.6	Confident	82.8	Confident	33 Å²	33	70.2 Å²	70.2	27%	0.273	37%	0.373	S	S	.	.	H	α-helix	trans	-63.6	-36.1	173.1	0	0	0	0	0	111.7	T712 D715 V720 E721 Y722	T712-A718 VanDerWaalsContact CG2-C 3.45Å; T712-A718 HydrophobicContact CG2-CB 3.65Å; D715-A718 HydrophobicContact CB-CB 4.17Å; D715-A718 WeakPolarHBondContact OD2-CB 3.42Å; D715-A718 PolarHBondContact OD2-N 3.11Å; A718-V720 VanDerWaalsContact C-N 3.32Å; A718-V720 PolarHBondContact O-N 3.42Å; A718-E721 PolarHBondContact O-N 3.3Å; A718-Y722 WeakPolarHBondContact O-CB 3.46Å; A718-Y722 PolarHBondContact O-N 2.88Å
719	A	88	Confident	80.3	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	44%	0.437	C	S	.	.	H	α-helix	trans	-62.9	-38.6	175.5	0	0	0	0	0	111.9	L694 A708 L709 T712 D715 V716 S717 Y722 L723	L694-A719 HydrophobicContact CD1-CB 4.23Å; L694-A719 HydrophobicContact CD2-CB 4.4Å; A708-A719 HydrophobicContact CB-CB 3.95Å; L709-A719 HydrophobicContact CD2-CB 3.82Å; L709-A719 HydrophobicContact CG-CB 4.22Å; T712-A719 HydrophobicContact CG2-CB 4.46Å; T712-A719 WeakPolarHBondContact OG1-CB 3.48Å; D715-A719 VanDerWaalsContact O-CB 3.25Å; D715-A719 WeakPolarHBondContact O-CB 3.49Å; D715-A719 PolarHBondContact O-N 2.78Å; V716-A719 PolarHBondContact O-N 2.97Å; S717-A719 VanDerWaalsContact C-N 3.31Å; S717-A719 PolarHBondContact O-N 3.18Å; A719-Y722 PolarHBondContact O-N 2.77Å; A719-L723 WeakPolarHBondContact O-CB 3.32Å; A719-L723 WeakPolarHBondContact O-CD1 3.41Å; A719-L723 WeakPolarHBondContact O-CG 3.39Å; A719-L723 PolarHBondContact O-N 2.91Å
720	V	88.1	Confident	79.8	Confident	29 Å²	29	80.3 Å²	80.3	18%	0.176	46%	0.458	C	S	.	.	H	α-helix	trans	-63.5	-45.2	173.5	169.4	0	0	0	0	110.8	L694 M697 F699 V716 S717 A718 Y722 L723 L724	L694-V720 HydrophobicContact CD2-CG2 3.66Å; M697-V720 HydrophobicContact CE-CG2 3.53Å; M697-V720 HydrophobicContact SD-CG2 4.05Å; F699-V720 HydrophobicContact CD2-CG2 4.48Å; F699-V720 HydrophobicContact CE2-CB 4.38Å; F699-V720 HydrophobicContact CE2-CG1 4.04Å; F699-V720 HydrophobicContact CE2-CG2 3.81Å; F699-V720 HydrophobicContact CZ-CG1 4.01Å; F699-V720 HydrophobicContact CZ-CG2 4.44Å; V716-V720 VanDerWaalsContact O-CG2 3.28Å; V716-V720 WeakPolarHBondContact O-CG2 3.26Å; V716-V720 PolarHBondContact O-N 2.91Å; S717-V720 PolarHBondContact O-N 2.92Å; A718-V720 VanDerWaalsContact C-N 3.32Å; A718-V720 PolarHBondContact O-N 3.42Å; V720-Y722 VanDerWaalsContact C-N 3.34Å; V720-Y722 PolarHBondContact O-N 3.01Å; V720-L723 PolarHBondContact O-N 3.03Å; V720-L724 HydrophobicContact CG1-CD1 3.7Å; V720-L724 HydrophobicContact CG1-CG 4.21Å; V720-L724 WeakPolarHBondContact O-CB 3.31Å; V720-L724 WeakPolarHBondContact O-CG 3.37Å; V720-L724 PolarHBondContact O-N 2.82Å
721	E	85.8	Confident	79.4	Confident	133 Å²	133	79.3 Å²	79.3	62%	0.621	46%	0.456	S	S	*	.	H	α-helix	trans	-61.6	-41.6	174.9	-73.5	-163.5	166.3	0	0	112.2	S717 A718 L724 N725	S717-E721 PolarHBondContact O-N 3.09Å; S717-E721 VanDerWaalsContact O-N 3.1Å; A718-E721 PolarHBondContact O-N 3.3Å; E721-L724 PolarHBondContact O-N 3.48Å; E721-N725 WeakPolarHBondContact O-CB 3.5Å; E721-N725 PolarHBondContact O-N 3.5Å; E721-N725 PolarHBondContact O-ND2 3.21Å
722	Y	87.3	Confident	79	Confident	57 Å²	57	77.2 Å²	77.2	22%	0.224	45%	0.449	C	S	.	.	H	α-helix	trans	-61.1	-46.3	175.6	-170.8	-86.8	0	0	0	111.1	A708 M711 A718 A719 V720 L724 N725 H726	A708-Y722 HydrophobicContact CB-CD1 3.86Å; A708-Y722 HydrophobicContact CB-CG 4.46Å; M711-Y722 HydrophobicContact CB-CD2 4.39Å; M711-Y722 HydrophobicContact CB-CE2 4.18Å; M711-Y722 HydrophobicContact CG-CE2 4.09Å; A718-Y722 WeakPolarHBondContact O-CB 3.46Å; A718-Y722 PolarHBondContact O-N 2.88Å; A719-Y722 PolarHBondContact O-N 2.77Å; V720-Y722 VanDerWaalsContact C-N 3.34Å; V720-Y722 PolarHBondContact O-N 3.01Å; Y722-L724 PolarHBondContact O-N 3.21Å; Y722-N725 PolarHBondContact O-N 2.66Å; Y722-H726 AromaticContact CD1-ND1 3.68Å; Y722-H726 AromaticContact CD2-CE1 3.55Å; Y722-H726 AromaticContact CD2-ND1 3.81Å; Y722-H726 AromaticContact CE1-CE1 3.8Å; Y722-H726 AromaticContact CE1-CG 3.99Å; Y722-H726 AromaticContact CE1-ND1 3.63Å; Y722-H726 AromaticContact CE2-CE1 3.21Å; Y722-H726 WeakPolarHBondContact CE2-CE1 3.44Å; Y722-H726 AromaticContact CE2-ND1 3.78Å; Y722-H726 AromaticContact CE2-NE2 3.84Å; Y722-H726 AromaticContact CG-CE1 3.99Å; Y722-H726 AromaticContact CG-ND1 3.77Å; Y722-H726 AromaticContact CZ-CE1 3.33Å; Y722-H726 AromaticContact CZ-ND1 3.68Å; Y722-H726 AromaticContact CZ-NE2 3.64Å; Y722-H726 WeakPolarHBondContact O-CB 3.26Å; Y722-H726 PolarHBondContact O-N 3.49Å; Y722-H726 PolarHBondContact O-ND1 3.28Å
723	L	87.6	Confident	78.6	Confident	14 Å²	14	80.5 Å²	80.5	7%	0.073	47%	0.467	C	S	.	.	H	α-helix	trans	-67.5	-32.9	178.4	-72.1	167.5	0	0	0	113.2	L694 F699 A704 N705 A708 A719 V720 R727	L694-L723 HydrophobicContact CD1-CD1 4.09Å; L694-L723 HydrophobicContact CD2-CD1 3.84Å; F699-L723 HydrophobicContact CB-CD1 4.2Å; F699-L723 HydrophobicContact CD1-CB 3.84Å; F699-L723 HydrophobicContact CD1-CD1 3.7Å; F699-L723 HydrophobicContact CD1-CG 4.27Å; F699-L723 HydrophobicContact CD2-CD1 4.36Å; F699-L723 HydrophobicContact CE1-CB 3.53Å; F699-L723 HydrophobicContact CE1-CD1 4.12Å; F699-L723 HydrophobicContact CE1-CG 4.42Å; F699-L723 HydrophobicContact CG-CD1 3.83Å; F699-L723 HydrophobicContact CZ-CB 4.21Å; A704-L723 HydrophobicContact CB-CD2 3.69Å; N705-L723 WeakPolarHBondContact OD1-CD1 3.33Å; A708-L723 HydrophobicContact CB-CD1 4.06Å; A708-L723 HydrophobicContact CB-CD2 3.94Å; A708-L723 HydrophobicContact CB-CG 3.65Å; A719-L723 WeakPolarHBondContact O-CB 3.32Å; A719-L723 WeakPolarHBondContact O-CD1 3.41Å; A719-L723 WeakPolarHBondContact O-CG 3.39Å; A719-L723 PolarHBondContact O-N 2.91Å; V720-L723 PolarHBondContact O-N 3.03Å; L723-R727 WeakPolarHBondContact O-CB 3.49Å; L723-R727 PolarHBondContact O-N 3.15Å
724	L	84.9	Confident	78.4	Confident	90 Å²	90	78.5 Å²	78.5	47%	0.471	45%	0.448	S	S	.	.	H	α-helix	trans	-73.4	-42.7	176.2	-72.5	172.6	0	0	0	111.4	F699 V720 E721 Y722 R727	F699-L724 HydrophobicContact CE1-CD2 4.45Å; F699-L724 HydrophobicContact CZ-CD2 4.17Å; F699-L724 HydrophobicContact CZ-CG 4.2Å; V720-L724 HydrophobicContact CG1-CD1 3.7Å; V720-L724 HydrophobicContact CG1-CG 4.21Å; V720-L724 WeakPolarHBondContact O-CB 3.31Å; V720-L724 WeakPolarHBondContact O-CG 3.37Å; V720-L724 PolarHBondContact O-N 2.82Å; E721-L724 PolarHBondContact O-N 3.48Å; Y722-L724 PolarHBondContact O-N 3.21Å; L724-R727 PolarHBondContact O-N 3.35Å
725	N	80.3	Confident	78.2	Confident	126 Å²	126	82.9 Å²	82.9	67%	0.674	47%	0.469	S	S	*	.	H	α-helix	trans	-69.1	-33.1	178.3	-74.6	-18.5	0	0	0	112.4	E721 Y722	E721-N725 WeakPolarHBondContact O-CB 3.5Å; E721-N725 PolarHBondContact O-N 3.5Å; E721-N725 PolarHBondContact O-ND2 3.21Å; Y722-N725 PolarHBondContact O-N 2.66Å
726	H	72.8	Confident	77.6	Confident	110 Å²	110	83 Å²	83	51%	0.509	47%	0.471	S	S	.	.	G	3₁₀ helix	trans	-89.6	1.4	178.6	-67	80.3	0	0	0	114.1	Y722 N728	Y722-H726 AromaticContact CD1-ND1 3.68Å; Y722-H726 AromaticContact CD2-CE1 3.55Å; Y722-H726 AromaticContact CD2-ND1 3.81Å; Y722-H726 AromaticContact CE1-CE1 3.8Å; Y722-H726 AromaticContact CE1-CG 3.99Å; Y722-H726 AromaticContact CE1-ND1 3.63Å; Y722-H726 AromaticContact CE2-CE1 3.21Å; Y722-H726 WeakPolarHBondContact CE2-CE1 3.44Å; Y722-H726 AromaticContact CE2-ND1 3.78Å; Y722-H726 AromaticContact CE2-NE2 3.84Å; Y722-H726 AromaticContact CG-CE1 3.99Å; Y722-H726 AromaticContact CG-ND1 3.77Å; Y722-H726 AromaticContact CZ-CE1 3.33Å; Y722-H726 AromaticContact CZ-ND1 3.68Å; Y722-H726 AromaticContact CZ-NE2 3.64Å; Y722-H726 WeakPolarHBondContact O-CB 3.26Å; Y722-H726 PolarHBondContact O-N 3.49Å; Y722-H726 PolarHBondContact O-ND1 3.28Å; H726-N728 VanDerWaalsContact C-N 3.33Å
727	R	62.4	Low	76.8	Confident	173 Å²	173	87.9 Å²	87.9	65%	0.653	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-82.2	-4.7	177.2	-112.4	175.2	84.7	169.1	3.6	114.9	L723 L724	L723-R727 WeakPolarHBondContact O-CB 3.49Å; L723-R727 PolarHBondContact O-N 3.15Å; L724-R727 PolarHBondContact O-N 3.35Å
728	N	48.9	Very low	75.9	Confident	163 Å²	163	88.2 Å²	88.2	87%	0.872	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-105.3	21.8	-177.4	-74.6	-16.9	0	0	0	114.1	H726	H726-N728 VanDerWaalsContact C-N 3.33Å
729	G	36.7	Very low	74.8	Confident	130 Å²	130	93.2 Å²	93.2	100%	1.34	51%	0.51	S	S	*	.			trans	-124.7	0	163.4	0	0	0	0	0	109.6

Retrieved 729 of 729 residues in 305.7 ms (Link to these results)

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