G4LUL4_SCHMA Loading...

NADPH dependent diflavin oxidoreductase,putative

AlphaFold DB , UniProt , Accession G4LUL4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 711 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	34.9	Very low	31.8	Very low	247 Å²	247	145.7 Å²	145.7	100%	1.217	81%	0.809	S	S	*	*				0	138.9	0	-81.1	-179.6	161.3	0	0	107.8
2	L	30.8	Very low	32.1	Very low	167 Å²	167	143.9 Å²	143.9	87%	0.874	81%	0.809	S	S	*	*			trans	-40.8	139.1	-161.6	-73.7	142.1	0	0	0	115.8	Q4	L2-Q4 PolarHBondContact O-N 3.48Å
3	P	34.5	Very low	32.4	Very low	111 Å²	111	141.6 Å²	141.6	72%	0.721	80%	0.801	S	S	*	*			trans	-72	125.1	-176	29.7	-32	0	0	0	110.8	T5	P3-T5 PolarHBondContact O-N 3.13Å; P3-T5 VanDerWaalsContact O-N 3.12Å
4	Q	31.8	Very low	33.4	Very low	177 Å²	177	139.4 Å²	139.4	83%	0.827	79%	0.792	S	S	*	*			trans	-68.9	101.5	172.5	-71.2	178.7	-17.4	0	0	109.4	L2 N6	L2-Q4 PolarHBondContact O-N 3.48Å; Q4-N6 PolarHBondContact O-N 2.89Å; Q4-N6 VanDerWaalsContact O-N 3.1Å
5	T	34.1	Very low	34.8	Very low	111 Å²	111	134.5 Å²	134.5	68%	0.681	77%	0.766	S	S	*	*			trans	-75	92.5	166.6	46	0	0	0	0	108.6	P3 H7	P3-T5 PolarHBondContact O-N 3.13Å; P3-T5 VanDerWaalsContact O-N 3.12Å; T5-H7 VanDerWaalsContact C-N 3.32Å; T5-H7 PolarHBondContact O-N 2.88Å
6	N	31.9	Very low	37.2	Very low	143 Å²	143	130.9 Å²	130.9	77%	0.765	74%	0.744	S	S	*	*			trans	-64.8	93.7	165.5	-82.2	-20.2	0	0	0	108.7	Q4 S8	Q4-N6 PolarHBondContact O-N 2.89Å; Q4-N6 VanDerWaalsContact O-N 3.1Å; N6-S8 PolarHBondContact O-N 3.11Å
7	H	31.1	Very low	40.2	Very low	164 Å²	164	127.5 Å²	127.5	76%	0.759	72%	0.719	S	S	*	*			trans	-69.7	85.4	161.8	-78.1	-66.8	0	0	0	108.2	T5 I9	T5-H7 VanDerWaalsContact C-N 3.32Å; T5-H7 PolarHBondContact O-N 2.88Å; H7-I9 VanDerWaalsContact C-N 3.34Å; H7-I9 PolarHBondContact O-N 3.43Å
8	S	31.5	Very low	43.2	Very low	110 Å²	110	120.7 Å²	120.7	77%	0.769	68%	0.681	S	S	*	*			trans	-65	99.1	162	54.7	0	0	0	0	107.6	N6 S10	N6-S8 PolarHBondContact O-N 3.11Å; S8-S10 PolarHBondContact O-N 3.09Å
9	I	31.8	Very low	46.1	Very low	156 Å²	156	114.4 Å²	114.4	80%	0.8	65%	0.645	S	S	*	*			trans	-61.1	104.6	167.8	-61.1	169.3	0	0	0	105.8	H7 C11	H7-I9 VanDerWaalsContact C-N 3.34Å; H7-I9 PolarHBondContact O-N 3.43Å; I9-C11 PolarHBondContact O-N 3.35Å
10	S	28.7	Very low	48.6	Very low	105 Å²	105	108.7 Å²	108.7	73%	0.734	61%	0.613	S	S	*	*			trans	-63.2	107.5	174.4	53.9	0	0	0	0	108.4	S8	S8-S10 PolarHBondContact O-N 3.09Å
11	C	28.3	Very low	51	Low	112 Å²	112	103.5 Å²	103.5	76%	0.757	58%	0.584	S	S	*	*			trans	-53.6	124.9	167.6	-81.8	0	0	0	0	108.6	I9 T13	I9-C11 PolarHBondContact O-N 3.35Å; C11-T13 PolarHBondContact O-N 3.06Å; C11-T13 VanDerWaalsContact O-N 3.11Å
12	P	36.2	Very low	54	Low	124 Å²	124	91.7 Å²	91.7	81%	0.805	53%	0.526	S	S	*	.			trans	-62.6	120.3	-179	24.1	-30	0	0	0	108.8	T14	P12-T14 PolarHBondContact O-N 3.33Å
13	T	36.1	Very low	57.3	Low	114 Å²	114	85 Å²	85	70%	0.699	49%	0.489	S	S	*	.			trans	-44	129.1	177.7	45	0	0	0	0	112.4	C11 T15	C11-T13 PolarHBondContact O-N 3.06Å; C11-T13 VanDerWaalsContact O-N 3.11Å; T13-T15 PolarHBondContact O-N 2.96Å
14	T	45.5	Very low	60.3	Low	110 Å²	110	79.8 Å²	79.8	68%	0.675	46%	0.455	S	S	*	.			trans	-22.9	89	166.2	51.2	0	0	0	0	115	P12	P12-T14 PolarHBondContact O-N 3.33Å
15	T	55.4	Low	63.2	Low	66 Å²	66	71.8 Å²	71.8	41%	0.405	42%	0.418	S	S	.	.			trans	-112.3	120.6	170.1	47.6	0	0	0	0	109.6	T13 K17 K78	T13-T15 PolarHBondContact O-N 2.96Å; T15-K17 PolarHBondContact O-N 2.94Å; T15-K78 HydrophobicContact CG2-CD 3.8Å
16	N	72.5	Confident	65.8	Low	77 Å²	77	70.1 Å²	70.1	41%	0.412	40%	0.403	S	S	.	.			trans	-57.7	107.7	171.7	-74.1	-4.2	0	0	0	108.9	R56 I59	N16-R56 WeakPolarHBondContact OD1-CD 3.48Å; N16-R56 PolarHBondContact OD1-NH1 3.01Å; N16-I59 HydrophobicContact CB-CD1 4.12Å
17	K	88.8	Confident	68.2	Low	74 Å²	74	67.4 Å²	67.4	32%	0.322	39%	0.392	S	S	.	.			trans	-66.3	143.8	177.4	-59.6	-173.9	-174	-177.1	0	109.6	T15 P58 I59 K78 F201	T15-K17 PolarHBondContact O-N 2.94Å; K17-P58 HydrophobicContact CB-CB 4.5Å; K17-P58 CarbonylContact O-C 3.52Å; K17-P58 VanDerWaalsContact O-CA 3.25Å; K17-P58 WeakPolarHBondContact O-CA 3.35Å; K17-I59 PolarHBondContact O-N 3.11Å; K17-K78 VanDerWaalsContact CA-O 3.31Å; K17-K78 WeakPolarHBondContact CA-O 3.29Å; K17-F201 HydrophobicContact CB-CD1 4.41Å; K17-F201 HydrophobicContact CB-CE1 4.09Å; K17-F201 HydrophobicContact CB-CE2 4.21Å; K17-F201 HydrophobicContact CB-CZ 3.99Å; K17-F201 HydrophobicContact CD-CB 4.06Å; K17-F201 HydrophobicContact CD-CD1 3.6Å; K17-F201 HydrophobicContact CD-CD2 4.31Å; K17-F201 HydrophobicContact CD-CE1 4.1Å; K17-F201 HydrophobicContact CD-CG 3.72Å; K17-F201 HydrophobicContact CG-CD1 4.49Å; K17-F201 PolarHBondContact NZ-O 2.83Å
18	S	94.2	Very high	70.8	Confident	5 Å²	5	60.7 Å²	60.7	4%	0.035	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	146.9	176.2	57.8	0	0	0	0	112.8	I59 E77 K78 G79 V80	S18-I59 CarbonylContact C-O 3.58Å; S18-I59 VanDerWaalsContact CA-O 3.25Å; S18-I59 WeakPolarHBondContact CA-O 3.24Å; S18-E77 PolarHBondContact OG-OE2 3.18Å; S18-K78 PolarHBondContact N-O 2.86Å; S18-K78 VanDerWaalsContact N-O 3.14Å; S18-G79 WeakPolarHBondContact O-CA 3.43Å; S18-V80 PolarHBondContact O-N 2.91Å
19	I	96.9	Very high	73.6	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	104.3	165.9	-58.7	174.3	0	0	0	106	I21 F45 P58 I59 I60 R61 V80 I82 V197 F201	I19-I21 HydrophobicContact CG2-CD1 4.44Å; I19-I21 HydrophobicContact CG2-CG1 4.16Å; I19-F45 HydrophobicContact CD1-CD2 3.96Å; I19-F45 HydrophobicContact CD1-CE2 3.44Å; I19-F45 VanDerWaalsContact CD1-CE2 3.44Å; I19-F45 HydrophobicContact CD1-CZ 3.95Å; I19-P58 HydrophobicContact CD1-CB 4.3Å; I19-P58 HydrophobicContact CD1-CG 4.03Å; I19-P58 HydrophobicContact CG1-CB 4.22Å; I19-I59 PolarHBondContact N-O 2.93Å; I19-I60 HydrophobicContact CB-CG1 4.28Å; I19-I60 HydrophobicContact CD1-CG1 4.34Å; I19-I60 CarbonylContact O-C 3.5Å; I19-I60 VanDerWaalsContact O-CA 3.31Å; I19-I60 WeakPolarHBondContact O-CA 3.16Å; I19-R61 PolarHBondContact O-N 3.29Å; I19-V80 HydrophobicContact CB-CG1 4.1Å; I19-V80 HydrophobicContact CG1-CG1 3.84Å; I19-V80 HydrophobicContact CG2-CG1 4Å; I19-I82 HydrophobicContact CG2-CD1 3.88Å; I19-V197 HydrophobicContact CD1-CG1 3.96Å; I19-V197 HydrophobicContact CG1-CG1 4.27Å; I19-F201 HydrophobicContact CD1-CE2 3.86Å; I19-F201 HydrophobicContact CD1-CZ 4.49Å; I19-F201 HydrophobicContact CG1-CE2 3.61Å; I19-F201 HydrophobicContact CG1-CZ 3.79Å
20	T	97.7	Very high	76.6	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	114.9	179.3	-60.2	0	0	0	0	109.4	L22 R61 Y68 E77 V80 V81 I82	T20-L22 HydrophobicContact CG2-CD2 3.68Å; T20-L22 HydrophobicContact CG2-CG 3.98Å; T20-R61 HydrophobicContact CG2-CB 4.22Å; T20-Y68 HydrophobicContact CG2-CD2 4.32Å; T20-Y68 HydrophobicContact CG2-CE2 3.96Å; T20-E77 PolarHBondContact OG1-OE2 3.31Å; T20-V80 PolarHBondContact N-O 3.18Å; T20-V81 HydrophobicContact CG2-CG1 4.45Å; T20-V81 CarbonylContact O-C 3.57Å; T20-V81 VanDerWaalsContact O-CA 3.24Å; T20-V81 WeakPolarHBondContact O-CA 3.43Å; T20-I82 PolarHBondContact O-N 3.07Å
21	I	98.4	Very high	79.6	Confident	0 Å²	0	48 Å²	48	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	118.3	178.7	-54.5	168.6	0	0	0	107.8	I19 A34 L37 A38 R61 L62 L63 I82 V84	I19-I21 HydrophobicContact CG2-CD1 4.44Å; I19-I21 HydrophobicContact CG2-CG1 4.16Å; I21-A34 HydrophobicContact CG2-CB 3.85Å; I21-L37 HydrophobicContact CD1-CB 3.99Å; I21-A38 HydrophobicContact CD1-CB 3.84Å; I21-R61 PolarHBondContact N-O 3.44Å; I21-L62 HydrophobicContact CB-CD1 3.86Å; I21-L62 HydrophobicContact CG2-CD1 3.72Å; I21-L62 WeakPolarHBondContact O-CA 3.49Å; I21-L63 PolarHBondContact O-N 3.14Å; I21-I82 CarbonylContact C-O 3.56Å; I21-I82 WeakPolarHBondContact CA-O 3.02Å; I21-I82 HydrophobicContact CG1-CB 4.24Å; I21-I82 HydrophobicContact CG1-CD1 4.06Å; I21-V84 HydrophobicContact CG2-CG2 4.44Å
22	L	98.6	Very high	82.5	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	129.2	-179.3	-57.2	-175.9	0	0	0	109.9	T20 L63 M65 Y68 L74 V81 I82 F83 V84 F100	T20-L22 HydrophobicContact CG2-CD2 3.68Å; T20-L22 HydrophobicContact CG2-CG 3.98Å; L22-L63 WeakPolarHBondContact CA-O 3.45Å; L22-L63 HydrophobicContact CD2-CB 3.89Å; L22-L63 HydrophobicContact CD2-CD1 4.39Å; L22-M65 HydrophobicContact CB-CG 3.86Å; L22-M65 WeakPolarHBondContact O-CE 3.28Å; L22-Y68 HydrophobicContact CD1-CD1 4.16Å; L22-Y68 HydrophobicContact CD1-CD2 4.06Å; L22-Y68 HydrophobicContact CD1-CG 3.84Å; L22-Y68 HydrophobicContact CD2-CD2 3.56Å; L22-Y68 HydrophobicContact CD2-CE2 4.37Å; L22-Y68 HydrophobicContact CD2-CG 3.87Å; L22-Y68 HydrophobicContact CG-CD2 4.44Å; L22-L74 HydrophobicContact CD1-CD2 4.44Å; L22-V81 HydrophobicContact CD1-CG1 3.93Å; L22-V81 HydrophobicContact CG-CG1 4.14Å; L22-I82 PolarHBondContact N-O 2.92Å; L22-F83 HydrophobicContact CB-CD1 4.13Å; L22-F83 HydrophobicContact CB-CE1 4.38Å; L22-F83 HydrophobicContact CD1-CD1 4.34Å; L22-F83 HydrophobicContact CD1-CE1 3.75Å; L22-F83 HydrophobicContact CD1-CZ 4.37Å; L22-F83 CarbonylContact O-C 3.56Å; L22-F83 VanDerWaalsContact O-CA 3.32Å; L22-F83 WeakPolarHBondContact O-CA 3.28Å; L22-V84 PolarHBondContact O-N 3.32Å; L22-F100 HydrophobicContact CD1-CE2 4.3Å
23	Y	98.4	Very high	85.3	Confident	27 Å²	27	40.4 Å²	40.4	11%	0.106	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	147.3	-178.1	68.4	-91.7	0	0	0	114.8	Q31 A34 L62 L63 S64 M65 V84	Y23-Q31 HydrophobicContact CD2-CB 3.65Å; Y23-Q31 HydrophobicContact CD2-CG 4.02Å; Y23-Q31 HydrophobicContact CE1-CG 4.28Å; Y23-Q31 HydrophobicContact CE2-CB 3.62Å; Y23-Q31 HydrophobicContact CE2-CG 3.55Å; Y23-Q31 HydrophobicContact CG-CB 4.33Å; Y23-A34 HydrophobicContact CD1-CB 3.94Å; Y23-A34 HydrophobicContact CG-CB 4.04Å; Y23-L62 HydrophobicContact CD1-CD1 3.74Å; Y23-L62 HydrophobicContact CD1-CG 4.32Å; Y23-L62 HydrophobicContact CE1-CD1 4.05Å; Y23-L62 HydrophobicContact CE1-CG 4.12Å; Y23-L63 WeakPolarHBondContact CD1-O 3.46Å; Y23-L63 WeakPolarHBondContact CE1-O 3.37Å; Y23-L63 PolarHBondContact N-O 3.13Å; Y23-S64 CarbonylContact O-C 3.59Å; Y23-S64 WeakPolarHBondContact O-CA 2.96Å; Y23-M65 PolarHBondContact O-N 2.7Å; Y23-V84 CarbonylContact C-O 3.58Å; Y23-V84 WeakPolarHBondContact CA-O 3.4Å; Y23-V84 WeakPolarHBondContact CB-O 3.4Å
24	G	97.7	Very high	88.1	Confident	0 Å²	0	35 Å²	35	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	113.6	168.3	0	0	0	0	0	109.2	A30 V84 C85 S86 N96	G24-A30 WeakPolarHBondContact O-CB 3.27Å; G24-V84 PolarHBondContact N-O 2.81Å; G24-C85 CarbonylContact O-C 3.57Å; G24-C85 VanDerWaalsContact O-CA 3.25Å; G24-C85 WeakPolarHBondContact O-CA 3.28Å; G24-S86 PolarHBondContact O-N 3.03Å; G24-N96 WeakPolarHBondContact CA-OD1 3.12Å
25	S	93.9	Very high	90.4	Very high	9 Å²	9	31.2 Å²	31.2	6%	0.063	17%	0.172	C	C	.	.			trans	-137	131.6	-172.6	-164.9	0	0	0	0	111	G28 N29 A30 Q31 N96	S25-G28 WeakPolarHBondContact OG-CA 3.15Å; S25-G28 PolarHBondContact OG-N 3.24Å; S25-G28 PolarHBondContact OG-O 3.09Å; S25-N29 PolarHBondContact OG-N 3.32Å; S25-A30 PolarHBondContact OG-N 3.27Å; S25-Q31 PolarHBondContact OG-N 2.82Å; S25-N96 PolarHBondContact N-ND2 3.46Å; S25-N96 PolarHBondContact N-OD1 3.35Å; S25-N96 PolarHBondContact O-ND2 3.13Å; S25-N96 PolarHBondContact O-OD1 2.69Å; S25-N96 VanDerWaalsContact O-OD1 3.1Å
26	Q	88.2	Confident	92.2	Very high	76 Å²	76	30.6 Å²	30.6	36%	0.355	17%	0.166	S	C	.	.	S	Bend	trans	-93.8	-38.2	178	-171.7	61.7	38.8	0	0	112.4	S86 T88 P94 N95	Q26-S86 PolarHBondContact N-OG 3.19Å; Q26-T88 HydrophobicContact CB-CG2 3.43Å; Q26-T88 VanDerWaalsContact CB-CG2 3.43Å; Q26-T88 HydrophobicContact CG-CG2 3.59Å; Q26-P94 HydrophobicContact CB-CB 4.2Å; Q26-P94 HydrophobicContact CB-CG 4.47Å; Q26-N95 PolarHBondContact NE2-ND2 2.89Å
27	T	83	Confident	93.3	Very high	87 Å²	87	27 Å²	27	53%	0.534	15%	0.147	S	C	.	.	S	Bend	trans	-117.6	0.3	-173.5	54.1	0	0	0	0	113.2
28	G	86.2	Confident	93.6	Very high	22 Å²	22	23.4 Å²	23.4	23%	0.227	13%	0.131	C	C	.	.	S	Bend	trans	105	-29.1	-179.5	0	0	0	0	0	114.2	S25 A30 Q31 S32	S25-G28 WeakPolarHBondContact OG-CA 3.15Å; S25-G28 PolarHBondContact OG-N 3.24Å; S25-G28 PolarHBondContact OG-O 3.09Å; G28-A30 PolarHBondContact O-N 3.14Å; G28-Q31 CarbonylContact O-C 3.55Å; G28-Q31 WeakPolarHBondContact O-CA 3.49Å; G28-Q31 VanDerWaalsContact O-CB 3.31Å; G28-Q31 WeakPolarHBondContact O-CB 3.31Å; G28-Q31 PolarHBondContact O-N 3.06Å; G28-S32 PolarHBondContact O-N 3.25Å; G28-S32 PolarHBondContact O-OG 3.06Å
29	N	88.7	Confident	93.6	Very high	44 Å²	44	24.6 Å²	24.6	24%	0.235	14%	0.137	C	C	.	.	H	α-helix	trans	-51.3	-50.9	-174.3	-65.4	-8.4	0	0	0	114.3	S25 Q31 S32 L33 L126	S25-N29 PolarHBondContact OG-N 3.32Å; N29-Q31 VanDerWaalsContact C-N 3.29Å; N29-Q31 PolarHBondContact O-N 2.93Å; N29-S32 PolarHBondContact O-N 3.3Å; N29-L33 PolarHBondContact O-N 2.8Å; N29-L33 VanDerWaalsContact O-N 3.1Å; N29-L126 HydrophobicContact CB-CD2 3.92Å
30	A	94.5	Very high	93.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-67.6	-29.3	179.1	0	0	0	0	0	112.9	G24 S25 G28 A34 V84 L126	G24-A30 WeakPolarHBondContact O-CB 3.27Å; S25-A30 PolarHBondContact OG-N 3.27Å; G28-A30 PolarHBondContact O-N 3.14Å; A30-A34 WeakPolarHBondContact O-CB 3.47Å; A30-A34 PolarHBondContact O-N 3.33Å; A30-A34 VanDerWaalsContact O-N 3.07Å; A30-V84 HydrophobicContact CB-CG1 4.12Å; A30-V84 WeakPolarHBondContact O-CG1 3.36Å; A30-L126 HydrophobicContact CB-CD1 3.82Å; A30-L126 HydrophobicContact CB-CD2 4.26Å
31	Q	93.3	Very high	93.3	Very high	61 Å²	61	24.7 Å²	24.7	29%	0.285	14%	0.137	S	C	.	.	H	α-helix	trans	-70.9	-47.2	175.1	173.8	179.1	-10.5	0	0	109.9	Y23 S25 G28 N29 L33 A34 E35	Y23-Q31 HydrophobicContact CD2-CB 3.65Å; Y23-Q31 HydrophobicContact CD2-CG 4.02Å; Y23-Q31 HydrophobicContact CE1-CG 4.28Å; Y23-Q31 HydrophobicContact CE2-CB 3.62Å; Y23-Q31 HydrophobicContact CE2-CG 3.55Å; Y23-Q31 HydrophobicContact CG-CB 4.33Å; S25-Q31 PolarHBondContact OG-N 2.82Å; G28-Q31 CarbonylContact O-C 3.55Å; G28-Q31 WeakPolarHBondContact O-CA 3.49Å; G28-Q31 VanDerWaalsContact O-CB 3.31Å; G28-Q31 WeakPolarHBondContact O-CB 3.31Å; G28-Q31 PolarHBondContact O-N 3.06Å; N29-Q31 VanDerWaalsContact C-N 3.29Å; N29-Q31 PolarHBondContact O-N 2.93Å; Q31-L33 VanDerWaalsContact C-N 3.3Å; Q31-L33 PolarHBondContact O-N 2.88Å; Q31-A34 WeakPolarHBondContact O-CB 3.38Å; Q31-A34 PolarHBondContact O-N 3.45Å; Q31-A34 VanDerWaalsContact O-N 3.08Å; Q31-E35 HydrophobicContact CG-CG 4.28Å; Q31-E35 PolarHBondContact NE2-OE1 3.17Å; Q31-E35 WeakPolarHBondContact O-CB 3.43Å; Q31-E35 WeakPolarHBondContact O-CG 3.45Å; Q31-E35 PolarHBondContact O-N 2.92Å
32	S	89.4	Confident	93	Very high	53 Å²	53	27.9 Å²	27.9	37%	0.371	15%	0.15	S	C	.	.	H	α-helix	trans	-59.5	-40.1	178.2	-57.3	0	0	0	0	112.1	G28 N29 E35 L36	G28-S32 PolarHBondContact O-N 3.25Å; G28-S32 PolarHBondContact O-OG 3.06Å; N29-S32 PolarHBondContact O-N 3.3Å; S32-E35 PolarHBondContact O-N 3Å; S32-L36 WeakPolarHBondContact O-CB 3.26Å; S32-L36 PolarHBondContact O-N 2.91Å
33	L	93	Very high	92.7	Very high	23 Å²	23	32.1 Å²	32.1	12%	0.12	17%	0.166	C	C	.	.	H	α-helix	trans	-66.1	-41.2	172.8	-73.3	-174.4	0	0	0	112.4	N29 Q31 E35 L36 L37 V84 L124 L126 L186	N29-L33 PolarHBondContact O-N 2.8Å; N29-L33 VanDerWaalsContact O-N 3.1Å; Q31-L33 VanDerWaalsContact C-N 3.3Å; Q31-L33 PolarHBondContact O-N 2.88Å; L33-E35 VanDerWaalsContact C-N 3.34Å; L33-E35 PolarHBondContact O-N 3.3Å; L33-L36 HydrophobicContact CD2-CD2 4.41Å; L33-L36 WeakPolarHBondContact O-CB 3.3Å; L33-L36 PolarHBondContact O-N 2.78Å; L33-L37 WeakPolarHBondContact O-CG 3.41Å; L33-L37 PolarHBondContact O-N 3.48Å; L33-V84 HydrophobicContact CB-CG1 4.26Å; L33-L124 HydrophobicContact CD1-CD2 4.16Å; L33-L126 HydrophobicContact CD1-CD1 4.17Å; L33-L126 HydrophobicContact CD1-CD2 3.7Å; L33-L126 HydrophobicContact CD1-CG 4.09Å; L33-L186 HydrophobicContact CD1-CD1 4.12Å; L33-L186 HydrophobicContact CD1-CD2 4.15Å; L33-L186 HydrophobicContact CD2-CD1 3.98Å
34	A	96.2	Very high	92.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.2	-38.8	176.7	0	0	0	0	0	112.6	I21 Y23 A30 Q31 L37 A38 L62 V84	I21-A34 HydrophobicContact CG2-CB 3.85Å; Y23-A34 HydrophobicContact CD1-CB 3.94Å; Y23-A34 HydrophobicContact CG-CB 4.04Å; A30-A34 WeakPolarHBondContact O-CB 3.47Å; A30-A34 PolarHBondContact O-N 3.33Å; A30-A34 VanDerWaalsContact O-N 3.07Å; Q31-A34 WeakPolarHBondContact O-CB 3.38Å; Q31-A34 PolarHBondContact O-N 3.45Å; Q31-A34 VanDerWaalsContact O-N 3.08Å; A34-L37 PolarHBondContact O-N 3.25Å; A34-A38 PolarHBondContact O-N 3.07Å; A34-L62 HydrophobicContact CB-CD1 3.74Å; A34-V84 HydrophobicContact CB-CB 4.14Å; A34-V84 HydrophobicContact CB-CG2 4.1Å
35	E	93.4	Very high	92.2	Very high	32 Å²	32	31 Å²	31	15%	0.15	16%	0.162	C	C	.	.	H	α-helix	trans	-63.2	-45.1	172.9	-72.9	176.9	170.6	0	0	111.5	Q31 S32 L33 L37 A38 L39 L62 K230 F356	Q31-E35 HydrophobicContact CG-CG 4.28Å; Q31-E35 PolarHBondContact NE2-OE1 3.17Å; Q31-E35 WeakPolarHBondContact O-CB 3.43Å; Q31-E35 WeakPolarHBondContact O-CG 3.45Å; Q31-E35 PolarHBondContact O-N 2.92Å; S32-E35 PolarHBondContact O-N 3Å; L33-E35 VanDerWaalsContact C-N 3.34Å; L33-E35 PolarHBondContact O-N 3.3Å; E35-L37 VanDerWaalsContact C-N 3.34Å; E35-L37 PolarHBondContact O-N 2.99Å; E35-A38 WeakPolarHBondContact O-CB 3.36Å; E35-A38 PolarHBondContact O-N 3.4Å; E35-L39 WeakPolarHBondContact O-CG 3.45Å; E35-L39 PolarHBondContact O-N 3.43Å; E35-L62 HydrophobicContact CB-CD2 4.24Å; E35-L62 HydrophobicContact CG-CD2 3.58Å; E35-K230 IonicContact OE1-NZ 3.88Å; E35-K230 PolarHBondContact OE1-NZ 2.93Å; E35-K230 IonicContact OE2-NZ 3.32Å; E35-K230 PolarHBondContact OE2-NZ 3.45Å; E35-F356 HydrophobicContact CB-CE1 3.96Å; E35-F356 HydrophobicContact CG-CD1 4.35Å; E35-F356 HydrophobicContact CG-CE1 4Å
36	L	92.5	Very high	92	Very high	52 Å²	52	34.1 Å²	34.1	27%	0.272	18%	0.177	S	C	.	.	H	α-helix	trans	-57.6	-46.5	173.8	176.5	63.8	0	0	0	111.3	S32 L33 A38 L39 Q40 L227	S32-L36 WeakPolarHBondContact O-CB 3.26Å; S32-L36 PolarHBondContact O-N 2.91Å; L33-L36 HydrophobicContact CD2-CD2 4.41Å; L33-L36 WeakPolarHBondContact O-CB 3.3Å; L33-L36 PolarHBondContact O-N 2.78Å; L36-A38 VanDerWaalsContact C-N 3.3Å; L36-A38 PolarHBondContact O-N 3.22Å; L36-L39 PolarHBondContact O-N 2.97Å; L36-Q40 HydrophobicContact CD1-CG 4.24Å; L36-Q40 HydrophobicContact CG-CG 4.44Å; L36-Q40 WeakPolarHBondContact O-CB 3.18Å; L36-Q40 VanDerWaalsContact O-CG 3.29Å; L36-Q40 WeakPolarHBondContact O-CG 3.25Å; L36-Q40 PolarHBondContact O-N 3.28Å; L36-L227 HydrophobicContact CD1-CD1 3.89Å
37	L	95.7	Very high	92.1	Very high	1 Å²	1	32 Å²	32	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-61.9	-39.3	177.4	-67.8	176.5	0	0	0	111.7	I21 L33 A34 E35 Q40 S41 I82 V84 W189 I190 L193 W194	I21-L37 HydrophobicContact CD1-CB 3.99Å; L33-L37 WeakPolarHBondContact O-CG 3.41Å; L33-L37 PolarHBondContact O-N 3.48Å; A34-L37 PolarHBondContact O-N 3.25Å; E35-L37 VanDerWaalsContact C-N 3.34Å; E35-L37 PolarHBondContact O-N 2.99Å; L37-Q40 PolarHBondContact O-N 3.23Å; L37-S41 WeakPolarHBondContact O-CB 3.46Å; L37-S41 PolarHBondContact O-N 2.97Å; L37-I82 HydrophobicContact CD1-CG2 4.22Å; L37-V84 HydrophobicContact CD1-CG2 3.88Å; L37-W189 HydrophobicContact CD1-CH2 4.28Å; L37-W189 HydrophobicContact CD1-CZ3 3.98Å; L37-W189 HydrophobicContact CD2-CZ3 4.4Å; L37-I190 HydrophobicContact CD2-CD1 3.95Å; L37-I190 HydrophobicContact CD2-CG1 4.03Å; L37-I190 HydrophobicContact CD2-CG2 4.16Å; L37-L193 HydrophobicContact CD1-CD2 4.39Å; L37-L193 HydrophobicContact CD2-CD2 4.05Å; L37-W194 HydrophobicContact CB-CH2 4.31Å; L37-W194 HydrophobicContact CB-CZ2 4Å; L37-W194 HydrophobicContact CD2-CZ2 3.73Å; L37-W194 HydrophobicContact CG-CZ2 4.47Å; L37-W194 WeakPolarHBondContact O-CH2 3.31Å; L37-W194 WeakPolarHBondContact O-CZ2 3.32Å
38	A	96	Very high	92.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63.1	-47.7	175.6	0	0	0	0	0	111.3	I21 A34 E35 L36 Q40 S41 Y42 L62 F356	I21-A38 HydrophobicContact CD1-CB 3.84Å; A34-A38 PolarHBondContact O-N 3.07Å; E35-A38 WeakPolarHBondContact O-CB 3.36Å; E35-A38 PolarHBondContact O-N 3.4Å; L36-A38 VanDerWaalsContact C-N 3.3Å; L36-A38 PolarHBondContact O-N 3.22Å; A38-Q40 PolarHBondContact O-N 3.45Å; A38-S41 PolarHBondContact O-N 2.94Å; A38-S41 PolarHBondContact O-OG 3.08Å; A38-Y42 WeakPolarHBondContact O-CD2 3.48Å; A38-Y42 PolarHBondContact O-N 3.22Å; A38-Y42 VanDerWaalsContact O-N 3.11Å; A38-L62 HydrophobicContact CB-CB 4.23Å; A38-L62 HydrophobicContact CB-CD2 4.04Å; A38-F356 HydrophobicContact CB-CE1 4.31Å; A38-F356 HydrophobicContact CB-CZ 3.72Å
39	L	93.4	Very high	92.2	Very high	29 Å²	29	34.6 Å²	34.6	15%	0.152	17%	0.171	C	C	.	.	H	α-helix	trans	-61.2	-43.8	176.5	-68.2	172.7	0	0	0	112.2	E35 L36 S41 Y42 R43 L227 F356	E35-L39 WeakPolarHBondContact O-CG 3.45Å; E35-L39 PolarHBondContact O-N 3.43Å; L36-L39 PolarHBondContact O-N 2.97Å; L39-S41 VanDerWaalsContact C-N 3.3Å; L39-S41 PolarHBondContact O-N 2.87Å; L39-Y42 PolarHBondContact O-N 2.82Å; L39-R43 PolarHBondContact O-N 3.26Å; L39-L227 HydrophobicContact CB-CB 4.12Å; L39-L227 HydrophobicContact CB-CD1 4.02Å; L39-L227 HydrophobicContact CB-CD2 4.24Å; L39-L227 HydrophobicContact CB-CG 4.34Å; L39-L227 HydrophobicContact CD1-CB 4.19Å; L39-F356 HydrophobicContact CD1-CZ 4.49Å; L39-F356 HydrophobicContact CD2-CD2 4.28Å; L39-F356 HydrophobicContact CD2-CE1 4.35Å; L39-F356 HydrophobicContact CD2-CE2 3.43Å; L39-F356 VanDerWaalsContact CD2-CE2 3.43Å; L39-F356 HydrophobicContact CD2-CZ 3.47Å; L39-F356 VanDerWaalsContact CD2-CZ 3.47Å; L39-F356 HydrophobicContact CG-CE1 4.24Å; L39-F356 HydrophobicContact CG-CE2 4.07Å; L39-F356 HydrophobicContact CG-CZ 3.55Å
40	Q	94.5	Very high	92.2	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.009	16%	0.159	C	C	.	.	H	α-helix	trans	-58.2	-43.4	173.8	-75.6	179.7	-6.4	0	0	111.4	L36 L37 A38 Y42 R43 I44 W194 L218 F223	L36-Q40 HydrophobicContact CD1-CG 4.24Å; L36-Q40 HydrophobicContact CG-CG 4.44Å; L36-Q40 WeakPolarHBondContact O-CB 3.18Å; L36-Q40 VanDerWaalsContact O-CG 3.29Å; L36-Q40 WeakPolarHBondContact O-CG 3.25Å; L36-Q40 PolarHBondContact O-N 3.28Å; L37-Q40 PolarHBondContact O-N 3.23Å; A38-Q40 PolarHBondContact O-N 3.45Å; Q40-Y42 PolarHBondContact O-N 3.47Å; Q40-R43 PolarHBondContact O-N 3.09Å; Q40-R43 VanDerWaalsContact O-N 3.14Å; Q40-I44 HydrophobicContact CB-CD1 4.31Å; Q40-I44 WeakPolarHBondContact O-CB 3.44Å; Q40-I44 WeakPolarHBondContact O-CD1 3.45Å; Q40-I44 WeakPolarHBondContact O-CG1 3.35Å; Q40-I44 PolarHBondContact O-N 2.85Å; Q40-W194 HydrophobicContact CB-CZ2 3.79Å; Q40-L218 HydrophobicContact CG-CD2 4.16Å; Q40-F223 HydrophobicContact CG-CE1 4.13Å
41	S	94.6	Very high	91.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.5	-42.7	178.1	72.9	0	0	0	0	112.2	L37 A38 L39 R43 F45 I60	L37-S41 WeakPolarHBondContact O-CB 3.46Å; L37-S41 PolarHBondContact O-N 2.97Å; A38-S41 PolarHBondContact O-N 2.94Å; A38-S41 PolarHBondContact O-OG 3.08Å; L39-S41 VanDerWaalsContact C-N 3.3Å; L39-S41 PolarHBondContact O-N 2.87Å; S41-R43 VanDerWaalsContact C-N 3.32Å; S41-R43 PolarHBondContact O-N 2.74Å; S41-F45 WeakPolarHBondContact O-CB 3.33Å; S41-F45 VanDerWaalsContact O-CD2 3.26Å; S41-F45 WeakPolarHBondContact O-CD2 3.48Å; S41-F45 PolarHBondContact O-N 3.12Å; S41-I60 VanDerWaalsContact OG-CD1 3.23Å; S41-I60 WeakPolarHBondContact OG-CD1 3.43Å; S41-I60 WeakPolarHBondContact OG-CG1 3.31Å; S41-I60 VanDerWaalsContact OG-CG2 3.32Å; S41-I60 WeakPolarHBondContact OG-CG2 3.4Å
42	Y	92.8	Very high	91.6	Very high	67 Å²	67	36.9 Å²	36.9	26%	0.263	19%	0.189	S	C	.	.	H	α-helix	trans	-57.1	-49.1	172.4	-74.4	-67.9	0	0	0	111	A38 L39 Q40 I44 F45 D46 I60 H353 N355 F356	A38-Y42 WeakPolarHBondContact O-CD2 3.48Å; A38-Y42 PolarHBondContact O-N 3.22Å; A38-Y42 VanDerWaalsContact O-N 3.11Å; L39-Y42 PolarHBondContact O-N 2.82Å; Q40-Y42 PolarHBondContact O-N 3.47Å; Y42-I44 PolarHBondContact O-N 2.67Å; Y42-F45 PolarHBondContact O-N 3.4Å; Y42-D46 WeakPolarHBondContact O-CB 3.48Å; Y42-D46 PolarHBondContact O-N 2.9Å; Y42-I60 HydrophobicContact CD1-CD1 3.54Å; Y42-I60 HydrophobicContact CD2-CD1 4.28Å; Y42-I60 HydrophobicContact CE1-CB 4.09Å; Y42-I60 HydrophobicContact CE1-CD1 3.5Å; Y42-I60 HydrophobicContact CE1-CG1 4.38Å; Y42-I60 HydrophobicContact CE2-CB 4.24Å; Y42-I60 HydrophobicContact CE2-CD1 4.22Å; Y42-I60 HydrophobicContact CE2-CG2 3.83Å; Y42-I60 HydrophobicContact CG-CD1 3.91Å; Y42-I60 VanDerWaalsContact OH-CB 3.31Å; Y42-I60 WeakPolarHBondContact OH-CB 3.27Å; Y42-H353 AromaticContact CE1-NE2 3.52Å; Y42-H353 AromaticContact CE2-CE1 3.96Å; Y42-H353 AromaticContact CZ-CD2 3.78Å; Y42-H353 AromaticContact CZ-CE1 3.38Å; Y42-H353 AromaticContact CZ-NE2 3.17Å; Y42-H353 PolarHBondContact OH-CE1 2.87Å; Y42-H353 PolarHBondContact OH-NE2 3.46Å; Y42-N355 PolarHBondContact OH-ND2 2.78Å; Y42-F356 HydrophobicContact CD2-CE2 4.45Å; Y42-F356 HydrophobicContact CE2-CE2 4.16Å
43	R	91.6	Very high	91.4	Very high	90 Å²	90	38 Å²	38	34%	0.34	19%	0.191	S	C	.	.	H	α-helix	trans	-67.8	-37	-173.8	-167.8	58.1	173.8	158.3	1.5	113.7	L39 Q40 S41 Q47 F223 S226 L227	L39-R43 PolarHBondContact O-N 3.26Å; Q40-R43 PolarHBondContact O-N 3.09Å; Q40-R43 VanDerWaalsContact O-N 3.14Å; S41-R43 VanDerWaalsContact C-N 3.32Å; S41-R43 PolarHBondContact O-N 2.74Å; R43-Q47 PolarHBondContact O-NE2 3.23Å; R43-Q47 VanDerWaalsContact O-NE2 3.1Å; R43-F223 HydrophobicContact CB-CE2 4.29Å; R43-F223 HydrophobicContact CB-CZ 4.08Å; R43-F223 HydrophobicContact CG-CD2 4.35Å; R43-F223 HydrophobicContact CG-CE2 3.55Å; R43-F223 HydrophobicContact CG-CZ 3.82Å; R43-S226 PolarHBondContact NE-OG 3.25Å; R43-S226 VanDerWaalsContact NE-OG 3.1Å; R43-L227 HydrophobicContact CB-CD2 3.69Å; R43-L227 HydrophobicContact CG-CD2 4.01Å
44	I	92.3	Very high	91.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-70.7	-48.7	178.3	-68.4	162.9	0	0	0	110.1	Q40 Y42 D46 Q47 V50 W194 M198 L212 I213	Q40-I44 HydrophobicContact CB-CD1 4.31Å; Q40-I44 WeakPolarHBondContact O-CB 3.44Å; Q40-I44 WeakPolarHBondContact O-CD1 3.45Å; Q40-I44 WeakPolarHBondContact O-CG1 3.35Å; Q40-I44 PolarHBondContact O-N 2.85Å; Y42-I44 PolarHBondContact O-N 2.67Å; I44-D46 VanDerWaalsContact C-N 3.31Å; I44-D46 PolarHBondContact O-N 3.38Å; I44-Q47 WeakPolarHBondContact O-CB 3.22Å; I44-Q47 VanDerWaalsContact O-CG 3.31Å; I44-Q47 WeakPolarHBondContact O-CG 3.42Å; I44-Q47 PolarHBondContact O-N 3.16Å; I44-V50 WeakPolarHBondContact O-CG2 3Å; I44-W194 HydrophobicContact CD1-CB 4.15Å; I44-W194 HydrophobicContact CD1-CD2 3.69Å; I44-W194 HydrophobicContact CD1-CE3 4.33Å; I44-W194 HydrophobicContact CD1-CG 3.56Å; I44-M198 HydrophobicContact CG2-SD 4.01Å; I44-L212 HydrophobicContact CG1-CD2 4.45Å; I44-I213 HydrophobicContact CD1-CG2 3.77Å; I44-I213 HydrophobicContact CG1-CG2 4.02Å; I44-I213 HydrophobicContact CG2-CG2 4.24Å
45	F	92.4	Very high	90.7	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.018	23%	0.231	C	C	.	.	H	α-helix	trans	-76.5	-18	-177	-76.4	-84.6	0	0	0	113.4	I19 S41 Y42 Q47 V50 L54 L57 P58 V197 M198 F201	I19-F45 HydrophobicContact CD1-CD2 3.96Å; I19-F45 HydrophobicContact CD1-CE2 3.44Å; I19-F45 VanDerWaalsContact CD1-CE2 3.44Å; I19-F45 HydrophobicContact CD1-CZ 3.95Å; S41-F45 WeakPolarHBondContact O-CB 3.33Å; S41-F45 VanDerWaalsContact O-CD2 3.26Å; S41-F45 WeakPolarHBondContact O-CD2 3.48Å; S41-F45 PolarHBondContact O-N 3.12Å; Y42-F45 PolarHBondContact O-N 3.4Å; F45-Q47 VanDerWaalsContact C-N 3.25Å; F45-Q47 PolarHBondContact O-N 3.24Å; F45-V50 HydrophobicContact CD1-CG1 3.57Å; F45-V50 HydrophobicContact CE1-CG1 4.03Å; F45-V50 HydrophobicContact CG-CG1 4.31Å; F45-L54 HydrophobicContact CD1-CD1 3.73Å; F45-L54 HydrophobicContact CE1-CD1 3.96Å; F45-L57 HydrophobicContact CB-CD2 4.42Å; F45-L57 WeakPolarHBondContact O-CD2 3.42Å; F45-P58 HydrophobicContact CB-CG 4.31Å; F45-P58 HydrophobicContact CD1-CG 3.6Å; F45-P58 HydrophobicContact CD2-CG 4.2Å; F45-P58 HydrophobicContact CE1-CG 3.94Å; F45-P58 HydrophobicContact CE2-CG 4.5Å; F45-P58 HydrophobicContact CG-CG 3.75Å; F45-P58 HydrophobicContact CZ-CG 4.38Å; F45-V197 HydrophobicContact CE2-CG1 4.31Å; F45-V197 HydrophobicContact CZ-CG1 3.98Å; F45-M198 HydrophobicContact CZ-CG 4.28Å; F45-F201 AromaticContact CE1-CD2 3.73Å; F45-F201 HydrophobicContact CE1-CD2 3.73Å; F45-F201 HydrophobicContact CE1-CE2 4.38Å; F45-F201 AromaticContact CZ-CD2 3.78Å; F45-F201 HydrophobicContact CZ-CD2 3.78Å; F45-F201 HydrophobicContact CZ-CE2 4.18Å
46	D	90.4	Very high	90.5	Very high	73 Å²	73	53 Å²	53	39%	0.39	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-10.3	173.4	-167.7	50.7	0	0	0	113.6	Y42 I44 K51	Y42-D46 WeakPolarHBondContact O-CB 3.48Å; Y42-D46 PolarHBondContact O-N 2.9Å; I44-D46 VanDerWaalsContact C-N 3.31Å; I44-D46 PolarHBondContact O-N 3.38Å; D46-K51 WeakPolarHBondContact O-CE 3.24Å; D46-K51 PolarHBondContact O-NZ 3.48Å; D46-K51 WeakPolarHBondContact OD1-CE 3.31Å; D46-K51 IonicContact OD1-NZ 3.26Å; D46-K51 PolarHBondContact OD1-NZ 3.18Å
47	Q	89.4	Confident	90.4	Very high	32 Å²	32	54.6 Å²	54.6	15%	0.15	26%	0.262	C	S	.	.	S	Bend	trans	-66.4	136	177.3	-61.2	-61.4	-52	0	0	112.1	R43 I44 F45 C49 V50 K51 L212	R43-Q47 PolarHBondContact O-NE2 3.23Å; R43-Q47 VanDerWaalsContact O-NE2 3.1Å; I44-Q47 WeakPolarHBondContact O-CB 3.22Å; I44-Q47 VanDerWaalsContact O-CG 3.31Å; I44-Q47 WeakPolarHBondContact O-CG 3.42Å; I44-Q47 PolarHBondContact O-N 3.16Å; F45-Q47 VanDerWaalsContact C-N 3.25Å; F45-Q47 PolarHBondContact O-N 3.24Å; Q47-C49 PolarHBondContact O-N 2.87Å; Q47-V50 HydrophobicContact CB-CB 4.47Å; Q47-V50 HydrophobicContact CB-CG2 4.16Å; Q47-V50 WeakPolarHBondContact O-CA 3.33Å; Q47-V50 PolarHBondContact O-N 3.47Å; Q47-K51 PolarHBondContact O-N 2.9Å; Q47-L212 HydrophobicContact CG-CD2 3.52Å
48	E	87.9	Confident	90.2	Very high	134 Å²	134	55 Å²	55	63%	0.626	27%	0.265	S	S	*	.	H	α-helix	trans	-54	-38.7	177.7	-70.3	-59	133.8	0	0	113.4	V50 K51 S52	E48-V50 VanDerWaalsContact C-N 3.26Å; E48-V50 PolarHBondContact O-N 2.92Å; E48-K51 PolarHBondContact O-N 3.44Å; E48-K51 IonicContact OE1-NZ 2.83Å; E48-S52 WeakPolarHBondContact O-CB 3.35Å; E48-S52 PolarHBondContact O-N 2.76Å; E48-S52 PolarHBondContact O-OG 3.44Å
49	C	84.4	Confident	90.1	Very high	29 Å²	29	58.4 Å²	58.4	20%	0.196	28%	0.283	C	S	.	.	H	α-helix	trans	-69.6	-20.5	177.5	55.2	0	0	0	0	114	Q47 S52 N53	Q47-C49 PolarHBondContact O-N 2.87Å; C49-S52 PolarHBondContact O-OG 3.48Å; C49-N53 PolarHBondContact O-ND2 3.01Å
50	V	87.7	Confident	90.2	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-87.6	-46.9	172.4	179.4	0	0	0	0	110	I44 F45 Q47 E48 S52 N53 L54 V203 L209	I44-V50 WeakPolarHBondContact O-CG2 3Å; F45-V50 HydrophobicContact CD1-CG1 3.57Å; F45-V50 HydrophobicContact CE1-CG1 4.03Å; F45-V50 HydrophobicContact CG-CG1 4.31Å; Q47-V50 HydrophobicContact CB-CB 4.47Å; Q47-V50 HydrophobicContact CB-CG2 4.16Å; Q47-V50 WeakPolarHBondContact O-CA 3.33Å; Q47-V50 PolarHBondContact O-N 3.47Å; E48-V50 VanDerWaalsContact C-N 3.26Å; E48-V50 PolarHBondContact O-N 2.92Å; V50-S52 VanDerWaalsContact C-N 3.26Å; V50-S52 PolarHBondContact O-N 3.22Å; V50-N53 PolarHBondContact O-N 3.03Å; V50-L54 HydrophobicContact CG1-CD1 3.87Å; V50-V203 HydrophobicContact CB-CG1 4.45Å; V50-V203 HydrophobicContact CG1-CG1 4.14Å; V50-V203 HydrophobicContact CG1-CG2 4.06Å; V50-V203 HydrophobicContact CG2-CG1 4.23Å; V50-L209 HydrophobicContact CG2-CD1 4.22Å; V50-L209 HydrophobicContact CG2-CD2 3.44Å; V50-L209 VanDerWaalsContact CG2-CD2 3.44Å; V50-L209 HydrophobicContact CG2-CG 4.48Å
51	K	87.5	Confident	90.3	Very high	61 Å²	61	61 Å²	61	27%	0.265	29%	0.291	S	S	.	.	H	α-helix	trans	-51.9	-43.3	177.5	-78.4	173.9	175.3	159.4	0	112.6	D46 Q47 E48 N53 L54 L57	D46-K51 WeakPolarHBondContact O-CE 3.24Å; D46-K51 PolarHBondContact O-NZ 3.48Å; D46-K51 WeakPolarHBondContact OD1-CE 3.31Å; D46-K51 IonicContact OD1-NZ 3.26Å; D46-K51 PolarHBondContact OD1-NZ 3.18Å; Q47-K51 PolarHBondContact O-N 2.9Å; E48-K51 PolarHBondContact O-N 3.44Å; E48-K51 IonicContact OE1-NZ 2.83Å; K51-N53 PolarHBondContact O-N 3.08Å; K51-L54 PolarHBondContact O-N 3.45Å; K51-L54 VanDerWaalsContact O-N 3.1Å; K51-L57 HydrophobicContact CG-CD2 3.84Å
52	S	87.5	Confident	90.4	Very high	93 Å²	93	61.5 Å²	61.5	65%	0.65	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-19	-178.6	63.1	0	0	0	0	114.5	E48 C49 V50	E48-S52 WeakPolarHBondContact O-CB 3.35Å; E48-S52 PolarHBondContact O-N 2.76Å; E48-S52 PolarHBondContact O-OG 3.44Å; C49-S52 PolarHBondContact O-OG 3.48Å; V50-S52 VanDerWaalsContact C-N 3.26Å; V50-S52 PolarHBondContact O-N 3.22Å
53	N	86.8	Confident	90.6	Very high	77 Å²	77	60.8 Å²	60.8	41%	0.412	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-4.5	177.8	-73.4	-79.9	0	0	0	113.1	C49 V50 K51 V203	C49-N53 PolarHBondContact O-ND2 3.01Å; V50-N53 PolarHBondContact O-N 3.03Å; K51-N53 PolarHBondContact O-N 3.08Å; N53-V203 HydrophobicContact CB-CG1 4.43Å; N53-V203 HydrophobicContact CB-CG2 4.19Å
54	L	86.8	Confident	90.8	Very high	25 Å²	25	56.8 Å²	56.8	13%	0.131	28%	0.28	C	S	.	.			trans	-122.9	126.7	-174.1	-63.6	177.1	0	0	0	110.7	F45 V50 K51 R56 F201 V203	F45-L54 HydrophobicContact CD1-CD1 3.73Å; F45-L54 HydrophobicContact CE1-CD1 3.96Å; V50-L54 HydrophobicContact CG1-CD1 3.87Å; K51-L54 PolarHBondContact O-N 3.45Å; K51-L54 VanDerWaalsContact O-N 3.1Å; L54-R56 PolarHBondContact O-N 2.58Å; L54-F201 HydrophobicContact CD2-CB 4.29Å; L54-F201 WeakPolarHBondContact CD2-O 3.28Å; L54-V203 HydrophobicContact CD1-CG2 4.08Å; L54-V203 HydrophobicContact CD2-CG2 3.71Å; L54-V203 HydrophobicContact CG-CG2 3.82Å
55	E	86.8	Confident	91.1	Very high	176 Å²	176	56.8 Å²	56.8	82%	0.822	28%	0.28	S	S	*	.	S	Bend	trans	-60.5	-33.5	172.6	-66.6	-176.7	170.4	0	0	112.1
56	R	88.8	Confident	91.3	Very high	169 Å²	169	58.1 Å²	58.1	64%	0.638	29%	0.288	S	S	*	.	S	Bend	trans	-146	143.6	176.3	-67.8	-176.2	178.9	162.6	0.5	110	N16 L54	N16-R56 WeakPolarHBondContact OD1-CD 3.48Å; N16-R56 PolarHBondContact OD1-NH1 3.01Å; L54-R56 PolarHBondContact O-N 2.58Å
57	L	90.7	Very high	91.5	Very high	84 Å²	84	59.7 Å²	59.7	44%	0.44	30%	0.296	S	S	.	.			trans	-62.2	144.6	171.3	-68.1	179.3	0	0	0	110.9	F45 K51	F45-L57 HydrophobicContact CB-CD2 4.42Å; F45-L57 WeakPolarHBondContact O-CD2 3.42Å; K51-L57 HydrophobicContact CG-CD2 3.84Å
58	P	92.4	Very high	91.9	Very high	11 Å²	11	58.2 Å²	58.2	7%	0.071	29%	0.289	C	S	.	.			trans	-67.6	145.2	177.9	29.1	-34.4	0	0	0	111	K17 I19 F45 I60 F201	K17-P58 HydrophobicContact CB-CB 4.5Å; K17-P58 CarbonylContact O-C 3.52Å; K17-P58 VanDerWaalsContact O-CA 3.25Å; K17-P58 WeakPolarHBondContact O-CA 3.35Å; I19-P58 HydrophobicContact CD1-CB 4.3Å; I19-P58 HydrophobicContact CD1-CG 4.03Å; I19-P58 HydrophobicContact CG1-CB 4.22Å; F45-P58 HydrophobicContact CB-CG 4.31Å; F45-P58 HydrophobicContact CD1-CG 3.6Å; F45-P58 HydrophobicContact CD2-CG 4.2Å; F45-P58 HydrophobicContact CE1-CG 3.94Å; F45-P58 HydrophobicContact CE2-CG 4.5Å; F45-P58 HydrophobicContact CG-CG 3.75Å; F45-P58 HydrophobicContact CZ-CG 4.38Å; P58-I60 PolarHBondContact O-N 3.47Å; P58-F201 HydrophobicContact CB-CD2 4.27Å; P58-F201 HydrophobicContact CB-CE2 3.63Å; P58-F201 HydrophobicContact CB-CZ 4.47Å; P58-F201 HydrophobicContact CG-CD2 4.39Å; P58-F201 HydrophobicContact CG-CE2 4.05Å
59	I	93.8	Very high	92.1	Very high	71 Å²	71	55.3 Å²	55.3	36%	0.364	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	111.6	171	-60.1	169.2	0	0	0	107.7	N16 K17 S18 I19 R61	N16-I59 HydrophobicContact CB-CD1 4.12Å; K17-I59 PolarHBondContact O-N 3.11Å; S18-I59 CarbonylContact C-O 3.58Å; S18-I59 VanDerWaalsContact CA-O 3.25Å; S18-I59 WeakPolarHBondContact CA-O 3.24Å; I19-I59 PolarHBondContact N-O 2.93Å; I59-R61 HydrophobicContact CG2-CG 4.24Å
60	I	95.4	Very high	92.7	Very high	14 Å²	14	57.1 Å²	57.1	7%	0.072	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	135.4	175.4	-62.1	153	0	0	0	108.6	I19 S41 Y42 P58 N355	I19-I60 HydrophobicContact CB-CG1 4.28Å; I19-I60 HydrophobicContact CD1-CG1 4.34Å; I19-I60 CarbonylContact O-C 3.5Å; I19-I60 VanDerWaalsContact O-CA 3.31Å; I19-I60 WeakPolarHBondContact O-CA 3.16Å; S41-I60 VanDerWaalsContact OG-CD1 3.23Å; S41-I60 WeakPolarHBondContact OG-CD1 3.43Å; S41-I60 WeakPolarHBondContact OG-CG1 3.31Å; S41-I60 VanDerWaalsContact OG-CG2 3.32Å; S41-I60 WeakPolarHBondContact OG-CG2 3.4Å; Y42-I60 HydrophobicContact CD1-CD1 3.54Å; Y42-I60 HydrophobicContact CD2-CD1 4.28Å; Y42-I60 HydrophobicContact CE1-CB 4.09Å; Y42-I60 HydrophobicContact CE1-CD1 3.5Å; Y42-I60 HydrophobicContact CE1-CG1 4.38Å; Y42-I60 HydrophobicContact CE2-CB 4.24Å; Y42-I60 HydrophobicContact CE2-CD1 4.22Å; Y42-I60 HydrophobicContact CE2-CG2 3.83Å; Y42-I60 HydrophobicContact CG-CD1 3.91Å; Y42-I60 VanDerWaalsContact OH-CB 3.31Å; Y42-I60 WeakPolarHBondContact OH-CB 3.27Å; P58-I60 PolarHBondContact O-N 3.47Å; I60-N355 PolarHBondContact O-ND2 2.68Å
61	R	96.2	Very high	93	Very high	71 Å²	71	57.8 Å²	57.8	27%	0.268	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	138.1	175.7	-63.7	180	-175.1	145.8	4.7	110	I19 T20 I21 I59 E77 N355	I19-R61 PolarHBondContact O-N 3.29Å; T20-R61 HydrophobicContact CG2-CB 4.22Å; I21-R61 PolarHBondContact N-O 3.44Å; I59-R61 HydrophobicContact CG2-CG 4.24Å; R61-E77 IonicContact NH1-OE1 2.62Å; R61-E77 PolarHBondContact NH1-OE1 3.37Å; R61-E77 IonicContact NH1-OE2 2.86Å; R61-E77 PolarHBondContact NH1-OE2 3.25Å; R61-N355 WeakPolarHBondContact CA-ND2 3.32Å; R61-N355 VanDerWaalsContact CA-OD1 3.24Å; R61-N355 WeakPolarHBondContact CA-OD1 3.46Å; R61-N355 PolarHBondContact N-ND2 2.93Å
62	L	97.1	Very high	93.3	Very high	10 Å²	10	59.1 Å²	59.1	5%	0.052	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	122.9	172	179.2	66	0	0	0	109	I21 Y23 A34 E35 A38 N355 F356	I21-L62 HydrophobicContact CB-CD1 3.86Å; I21-L62 HydrophobicContact CG2-CD1 3.72Å; I21-L62 WeakPolarHBondContact O-CA 3.49Å; Y23-L62 HydrophobicContact CD1-CD1 3.74Å; Y23-L62 HydrophobicContact CD1-CG 4.32Å; Y23-L62 HydrophobicContact CE1-CD1 4.05Å; Y23-L62 HydrophobicContact CE1-CG 4.12Å; A34-L62 HydrophobicContact CB-CD1 3.74Å; E35-L62 HydrophobicContact CB-CD2 4.24Å; E35-L62 HydrophobicContact CG-CD2 3.58Å; A38-L62 HydrophobicContact CB-CB 4.23Å; A38-L62 HydrophobicContact CB-CD2 4.04Å; L62-N355 HydrophobicContact CB-CB 3.76Å; L62-N355 PolarHBondContact N-OD1 3Å; L62-F356 HydrophobicContact CD2-CD1 4.14Å; L62-F356 HydrophobicContact CD2-CE1 3.68Å; L62-F356 HydrophobicContact CD2-CZ 4.4Å
63	L	96.7	Very high	93.7	Very high	52 Å²	52	59.2 Å²	59.2	27%	0.272	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	149.6	-176.6	-65.5	157.3	0	0	0	109.7	I21 L22 Y23 D67 Y68	I21-L63 PolarHBondContact O-N 3.14Å; L22-L63 WeakPolarHBondContact CA-O 3.45Å; L22-L63 HydrophobicContact CD2-CB 3.89Å; L22-L63 HydrophobicContact CD2-CD1 4.39Å; Y23-L63 WeakPolarHBondContact CD1-O 3.46Å; Y23-L63 WeakPolarHBondContact CE1-O 3.37Å; Y23-L63 PolarHBondContact N-O 3.13Å; L63-D67 HydrophobicContact CD2-CB 4.39Å; L63-Y68 HydrophobicContact CD1-CD2 3.81Å
64	S	96.6	Very high	94.2	Very high	6 Å²	6	55.6 Å²	55.6	4%	0.042	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	151.4	159.8	80.6	0	0	0	0	108.6	Y23 D66 D67 Y68	Y23-S64 CarbonylContact O-C 3.59Å; Y23-S64 WeakPolarHBondContact O-CA 2.96Å; S64-D66 PolarHBondContact O-N 3.43Å; S64-D67 PolarHBondContact O-N 2.98Å; S64-D67 WeakPolarHBondContact OG-CB 3.38Å; S64-D67 PolarHBondContact OG-N 3.28Å; S64-D67 VanDerWaalsContact OG-N 3.16Å; S64-D67 PolarHBondContact OG-OD2 3Å; S64-Y68 PolarHBondContact O-N 2.78Å
65	M	98.1	Very high	94.5	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-34.4	-179.7	-74.3	-174.7	-163	0	0	111.8	L22 Y23 Y68 F83 C85 M97 F100 L141	L22-M65 HydrophobicContact CB-CG 3.86Å; L22-M65 WeakPolarHBondContact O-CE 3.28Å; Y23-M65 PolarHBondContact O-N 2.7Å; M65-Y68 WeakPolarHBondContact O-CB 3.36Å; M65-Y68 PolarHBondContact O-N 2.98Å; M65-F83 HydrophobicContact CE-CB 3.97Å; M65-F83 HydrophobicContact CE-CD1 3.79Å; M65-F83 HydrophobicContact CE-CG 4.39Å; M65-F83 HydrophobicContact SD-CD1 4.4Å; M65-C85 HydrophobicContact CE-CB 3.88Å; M65-M97 HydrophobicContact CB-CB 3.54Å; M65-M97 HydrophobicContact CE-CE 4.45Å; M65-M97 HydrophobicContact CE-SD 4.5Å; M65-M97 HydrophobicContact CG-CB 4.1Å; M65-M97 HydrophobicContact SD-CB 3.79Å; M65-M97 HydrophobicContact SD-CE 3.55Å; M65-M97 VanDerWaalsContact SD-CE 3.55Å; M65-M97 HydrophobicContact SD-CG 4.48Å; M65-M97 HydrophobicContact SD-SD 3.9Å; M65-F100 HydrophobicContact CB-CB 3.73Å; M65-F100 HydrophobicContact CB-CD1 4.09Å; M65-F100 HydrophobicContact CB-CD2 4.15Å; M65-F100 HydrophobicContact CB-CG 3.73Å; M65-F100 HydrophobicContact CG-CD1 4.33Å; M65-F100 HydrophobicContact CG-CG 4.37Å; M65-F100 WeakPolarHBondContact O-CB 3.48Å; M65-F100 WeakPolarHBondContact O-CD2 3.27Å; M65-F100 HydrophobicContact SD-CD1 3.89Å; M65-F100 HydrophobicContact SD-CE1 4.12Å; M65-F100 HydrophobicContact SD-CG 4.49Å; M65-L141 HydrophobicContact CE-CD2 4.13Å; M65-L141 HydrophobicContact SD-CD2 4.44Å
66	D	96.2	Very high	94.8	Very high	33 Å²	33	56.4 Å²	56.4	18%	0.176	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-28.9	177.4	-78.8	-2.4	0	0	0	113.5	S64 Y68 N96 M97 S98 I99 F100	S64-D66 PolarHBondContact O-N 3.43Å; D66-Y68 VanDerWaalsContact C-N 3.26Å; D66-Y68 PolarHBondContact O-N 2.9Å; D66-N96 WeakPolarHBondContact CB-O 3.45Å; D66-N96 VanDerWaalsContact CG-C 3.48Å; D66-N96 PolarHBondContact N-O 3.44Å; D66-M97 WeakPolarHBondContact OD1-CA 3.08Å; D66-S98 PolarHBondContact OD1-N 2.8Å; D66-S98 PolarHBondContact OD2-N 2.91Å; D66-I99 HydrophobicContact CB-CB 4.46Å; D66-I99 WeakPolarHBondContact OD1-CA 3.29Å; D66-I99 WeakPolarHBondContact OD1-CB 3.38Å; D66-I99 PolarHBondContact OD1-N 3.31Å; D66-I99 PolarHBondContact OD2-N 2.8Å; D66-F100 PolarHBondContact OD1-N 2.88Å
67	D	95.5	Very high	95	Very high	105 Å²	105	48.9 Å²	48.9	56%	0.561	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-17.6	171.7	-64.6	-38.9	0	0	0	112.4	L63 S64 T69	L63-D67 HydrophobicContact CD2-CB 4.39Å; S64-D67 PolarHBondContact O-N 2.98Å; S64-D67 WeakPolarHBondContact OG-CB 3.38Å; S64-D67 PolarHBondContact OG-N 3.28Å; S64-D67 VanDerWaalsContact OG-N 3.16Å; S64-D67 PolarHBondContact OG-OD2 3Å; D67-T69 VanDerWaalsContact C-N 3.3Å; D67-T69 PolarHBondContact O-N 2.96Å
68	Y	96.6	Very high	94.8	Very high	1 Å²	1	50.9 Å²	50.9	0%	0.004	27%	0.265	C	S	.	.	S	Bend	trans	-75.5	81.6	172.4	-167.3	-90.8	0	0	0	111.3	T20 L22 L63 S64 M65 D66 R73 L74 E77 F100	T20-Y68 HydrophobicContact CG2-CD2 4.32Å; T20-Y68 HydrophobicContact CG2-CE2 3.96Å; L22-Y68 HydrophobicContact CD1-CD1 4.16Å; L22-Y68 HydrophobicContact CD1-CD2 4.06Å; L22-Y68 HydrophobicContact CD1-CG 3.84Å; L22-Y68 HydrophobicContact CD2-CD2 3.56Å; L22-Y68 HydrophobicContact CD2-CE2 4.37Å; L22-Y68 HydrophobicContact CD2-CG 3.87Å; L22-Y68 HydrophobicContact CG-CD2 4.44Å; L63-Y68 HydrophobicContact CD1-CD2 3.81Å; S64-Y68 PolarHBondContact O-N 2.78Å; M65-Y68 WeakPolarHBondContact O-CB 3.36Å; M65-Y68 PolarHBondContact O-N 2.98Å; D66-Y68 VanDerWaalsContact C-N 3.26Å; D66-Y68 PolarHBondContact O-N 2.9Å; Y68-R73 HydrophobicContact CE1-CB 3.89Å; Y68-R73 WeakPolarHBondContact OH-CB 3.45Å; Y68-L74 HydrophobicContact CE1-CD2 3.88Å; Y68-L74 HydrophobicContact CE1-CG 3.83Å; Y68-L74 PolarHBondContact OH-N 3.45Å; Y68-E77 VanDerWaalsContact OH-CG 3.3Å; Y68-E77 WeakPolarHBondContact OH-CG 3.42Å; Y68-E77 PolarHBondContact OH-OE1 3.34Å; Y68-F100 HydrophobicContact CD1-CE2 4.42Å
69	T	93.5	Very high	94.7	Very high	73 Å²	73	50.9 Å²	50.9	45%	0.448	27%	0.267	S	S	.	.			trans	-123.8	144.2	-176.9	-169.1	0	0	0	0	113.3	D67 R73	D67-T69 VanDerWaalsContact C-N 3.3Å; D67-T69 PolarHBondContact O-N 2.96Å; T69-R73 WeakPolarHBondContact O-CD 3.16Å; T69-R73 PolarHBondContact O-NH1 3.21Å
70	P	95.4	Very high	94.8	Very high	68 Å²	68	47.5 Å²	47.5	44%	0.442	25%	0.249	S	C	.	.	S	Bend	cis	-70.5	148.7	-16.8	30.5	-35.3	0	0	0	111.9	S72 R73	P70-S72 PolarHBondContact O-N 3.01Å; P70-S72 VanDerWaalsContact O-N 3.08Å; P70-R73 HydrophobicContact CG-CG 4.11Å; P70-R73 VanDerWaalsContact O-CB 3.26Å; P70-R73 WeakPolarHBondContact O-CB 3.4Å; P70-R73 VanDerWaalsContact O-CG 3.26Å; P70-R73 WeakPolarHBondContact O-CG 3.35Å; P70-R73 PolarHBondContact O-N 2.94Å
71	V	95.4	Very high	94.9	Very high	14 Å²	14	46.8 Å²	46.8	9%	0.085	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-56.6	-27.4	179	178.3	0	0	0	0	112.9	R73 L74 F100 K103 I104	V71-R73 PolarHBondContact O-N 3.07Å; V71-L74 HydrophobicContact CG1-CD1 4.01Å; V71-L74 WeakPolarHBondContact O-CB 3.26Å; V71-L74 WeakPolarHBondContact O-CG 3.33Å; V71-L74 PolarHBondContact O-N 3.42Å; V71-F100 HydrophobicContact CG1-CD2 4.16Å; V71-F100 HydrophobicContact CG1-CE2 3.85Å; V71-F100 HydrophobicContact CG1-CZ 4.42Å; V71-F100 HydrophobicContact CG2-CD2 3.65Å; V71-F100 HydrophobicContact CG2-CE2 4.16Å; V71-F100 HydrophobicContact CG2-CG 4.34Å; V71-K103 HydrophobicContact CB-CB 4.27Å; V71-K103 HydrophobicContact CB-CD 4.3Å; V71-K103 HydrophobicContact CG2-CB 3.94Å; V71-K103 HydrophobicContact CG2-CD 3.63Å; V71-K103 HydrophobicContact CG2-CG 4.43Å; V71-I104 HydrophobicContact CG1-CD1 4.11Å
72	S	94.2	Very high	95	Very high	89 Å²	89	43.4 Å²	43.4	62%	0.622	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-60.3	-12.3	174.6	58	0	0	0	0	114.1	P70 L74 A75	P70-S72 PolarHBondContact O-N 3.01Å; P70-S72 VanDerWaalsContact O-N 3.08Å; S72-L74 PolarHBondContact O-N 3.2Å; S72-A75 PolarHBondContact O-N 3.02Å
73	R	95.2	Very high	95	Very high	95 Å²	95	43 Å²	43	36%	0.358	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-63.8	-23.1	171.3	-73.2	170.7	58.3	179.7	0.4	113.4	Y68 T69 P70 V71 A75 K76 E77	Y68-R73 HydrophobicContact CE1-CB 3.89Å; Y68-R73 WeakPolarHBondContact OH-CB 3.45Å; T69-R73 WeakPolarHBondContact O-CD 3.16Å; T69-R73 PolarHBondContact O-NH1 3.21Å; P70-R73 HydrophobicContact CG-CG 4.11Å; P70-R73 VanDerWaalsContact O-CB 3.26Å; P70-R73 WeakPolarHBondContact O-CB 3.4Å; P70-R73 VanDerWaalsContact O-CG 3.26Å; P70-R73 WeakPolarHBondContact O-CG 3.35Å; P70-R73 PolarHBondContact O-N 2.94Å; V71-R73 PolarHBondContact O-N 3.07Å; R73-A75 PolarHBondContact O-N 2.9Å; R73-K76 WeakPolarHBondContact O-CA 3.39Å; R73-K76 PolarHBondContact O-N 3.49Å; R73-E77 PolarHBondContact O-N 3.17Å
74	L	96.1	Very high	95.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-53.5	-38.6	175	-72.8	174.6	0	0	0	111.7	L22 Y68 V71 S72 K76 E77 V81 F83 F100 I104 L115 L119	L22-L74 HydrophobicContact CD1-CD2 4.44Å; Y68-L74 HydrophobicContact CE1-CD2 3.88Å; Y68-L74 HydrophobicContact CE1-CG 3.83Å; Y68-L74 PolarHBondContact OH-N 3.45Å; V71-L74 HydrophobicContact CG1-CD1 4.01Å; V71-L74 WeakPolarHBondContact O-CB 3.26Å; V71-L74 WeakPolarHBondContact O-CG 3.33Å; V71-L74 PolarHBondContact O-N 3.42Å; S72-L74 PolarHBondContact O-N 3.2Å; L74-K76 PolarHBondContact O-N 2.84Å; L74-E77 PolarHBondContact O-N 3.31Å; L74-V81 HydrophobicContact CD2-CG1 4.18Å; L74-V81 HydrophobicContact CD2-CG2 4.2Å; L74-F83 HydrophobicContact CD2-CZ 4.24Å; L74-F100 HydrophobicContact CD1-CE2 4.12Å; L74-F100 HydrophobicContact CD1-CZ 4.03Å; L74-I104 HydrophobicContact CD1-CD1 4.01Å; L74-L115 HydrophobicContact CB-CD2 3.66Å; L74-L115 HydrophobicContact CD1-CD2 4.49Å; L74-L119 HydrophobicContact CB-CD2 4.22Å
75	A	93.8	Very high	95.2	Very high	46 Å²	46	40.3 Å²	40.3	38%	0.38	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-68.1	-4.2	178.8	0	0	0	0	0	114.5	S72 R73 L115	S72-A75 PolarHBondContact O-N 3.02Å; R73-A75 PolarHBondContact O-N 2.9Å; A75-L115 HydrophobicContact CB-CD2 4.5Å
76	K	92.9	Very high	95	Very high	172 Å²	172	40.9 Å²	40.9	75%	0.748	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-120.6	-0.6	-180	-58.9	-178.3	-179.5	-178.9	0	112.8	R73 L74	R73-K76 WeakPolarHBondContact O-CA 3.39Å; R73-K76 PolarHBondContact O-N 3.49Å; L74-K76 PolarHBondContact O-N 2.84Å
77	E	93.2	Very high	94.9	Very high	12 Å²	12	40.6 Å²	40.6	6%	0.056	22%	0.22	C	C	.	.			trans	-65.6	136.8	175.9	-73.2	-65.8	166.1	0	0	109.8	S18 T20 R61 Y68 R73 L74 V81 L119	S18-E77 PolarHBondContact OG-OE2 3.18Å; T20-E77 PolarHBondContact OG1-OE2 3.31Å; R61-E77 IonicContact NH1-OE1 2.62Å; R61-E77 PolarHBondContact NH1-OE1 3.37Å; R61-E77 IonicContact NH1-OE2 2.86Å; R61-E77 PolarHBondContact NH1-OE2 3.25Å; Y68-E77 VanDerWaalsContact OH-CG 3.3Å; Y68-E77 WeakPolarHBondContact OH-CG 3.42Å; Y68-E77 PolarHBondContact OH-OE1 3.34Å; R73-E77 PolarHBondContact O-N 3.17Å; L74-E77 PolarHBondContact O-N 3.31Å; E77-V81 HydrophobicContact CB-CG2 4.19Å; E77-V81 HydrophobicContact CG-CG2 4.06Å; E77-L119 HydrophobicContact CB-CD1 3.74Å
78	K	87.7	Confident	94.4	Very high	126 Å²	126	36.9 Å²	36.9	55%	0.548	20%	0.201	S	C	.	.			trans	-115.2	62.5	-176.4	-64.6	-165.7	177	-170.4	0	110.2	T15 K17 S18	T15-K78 HydrophobicContact CG2-CD 3.8Å; K17-K78 VanDerWaalsContact CA-O 3.31Å; K17-K78 WeakPolarHBondContact CA-O 3.29Å; S18-K78 PolarHBondContact N-O 2.86Å; S18-K78 VanDerWaalsContact N-O 3.14Å
79	G	89.3	Confident	93.5	Very high	10 Å²	10	37.8 Å²	37.8	10%	0.103	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.9	-137.3	-176.2	0	0	0	0	0	112.1	S18	S18-G79 WeakPolarHBondContact O-CA 3.43Å
80	V	95.5	Very high	92.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	140.5	-179.3	62.1	0	0	0	0	111.2	S18 I19 T20 I82 H120 L153 V197 F201	S18-V80 PolarHBondContact O-N 2.91Å; I19-V80 HydrophobicContact CB-CG1 4.1Å; I19-V80 HydrophobicContact CG1-CG1 3.84Å; I19-V80 HydrophobicContact CG2-CG1 4Å; T20-V80 PolarHBondContact N-O 3.18Å; V80-I82 HydrophobicContact CG2-CG1 4.02Å; V80-H120 CarbonylContact C-O 3.52Å; V80-H120 WeakPolarHBondContact CA-O 3.2Å; V80-L153 HydrophobicContact CB-CD1 4.46Å; V80-L153 HydrophobicContact CG2-CD1 3.38Å; V80-L153 HydrophobicContact CG2-CG 4.15Å; V80-V197 HydrophobicContact CG1-CG1 4.13Å; V80-V197 HydrophobicContact CG1-CG2 4.06Å; V80-V197 HydrophobicContact CG2-CG2 4.3Å; V80-F201 HydrophobicContact CG1-CZ 4.2Å
81	V	97.7	Very high	92.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	119.4	166.9	-169.2	0	0	0	0	110.4	T20 L22 L74 E77 F83 L119 H120 F121 S122	T20-V81 HydrophobicContact CG2-CG1 4.45Å; T20-V81 CarbonylContact O-C 3.57Å; T20-V81 VanDerWaalsContact O-CA 3.24Å; T20-V81 WeakPolarHBondContact O-CA 3.43Å; L22-V81 HydrophobicContact CD1-CG1 3.93Å; L22-V81 HydrophobicContact CG-CG1 4.14Å; L74-V81 HydrophobicContact CD2-CG1 4.18Å; L74-V81 HydrophobicContact CD2-CG2 4.2Å; E77-V81 HydrophobicContact CB-CG2 4.19Å; E77-V81 HydrophobicContact CG-CG2 4.06Å; V81-F83 HydrophobicContact CB-CE2 3.88Å; V81-F83 HydrophobicContact CB-CZ 4.18Å; V81-F83 HydrophobicContact CG1-CD2 4.16Å; V81-F83 HydrophobicContact CG1-CE1 4.05Å; V81-F83 HydrophobicContact CG1-CE2 3.48Å; V81-F83 VanDerWaalsContact CG1-CE2 3.48Å; V81-F83 HydrophobicContact CG1-CZ 3.42Å; V81-F83 VanDerWaalsContact CG1-CZ 3.42Å; V81-L119 HydrophobicContact CG2-CD1 3.72Å; V81-H120 PolarHBondContact N-O 3.48Å; V81-F121 CarbonylContact O-C 3.53Å; V81-F121 WeakPolarHBondContact O-CA 3.32Å; V81-F121 VanDerWaalsContact O-CB 3.28Å; V81-F121 WeakPolarHBondContact O-CB 3.37Å; V81-S122 PolarHBondContact O-N 2.98Å; V81-S122 VanDerWaalsContact O-N 3.07Å
82	I	98	Very high	92	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	122.6	179.4	-58.3	159.7	0	0	0	107.9	I19 T20 I21 L22 L37 V80 V84 S122 W189 L193	I19-I82 HydrophobicContact CG2-CD1 3.88Å; T20-I82 PolarHBondContact O-N 3.07Å; I21-I82 CarbonylContact C-O 3.56Å; I21-I82 WeakPolarHBondContact CA-O 3.02Å; I21-I82 HydrophobicContact CG1-CB 4.24Å; I21-I82 HydrophobicContact CG1-CD1 4.06Å; L22-I82 PolarHBondContact N-O 2.92Å; L37-I82 HydrophobicContact CD1-CG2 4.22Å; V80-I82 HydrophobicContact CG2-CG1 4.02Å; I82-V84 HydrophobicContact CG2-CG2 4.34Å; I82-S122 WeakPolarHBondContact CA-O 3.32Å; I82-W189 HydrophobicContact CG2-CH2 3.91Å; I82-L193 HydrophobicContact CD1-CD1 3.94Å; I82-L193 HydrophobicContact CD1-CD2 3.92Å; I82-L193 HydrophobicContact CD1-CG 4.36Å; I82-L193 HydrophobicContact CG1-CD1 3.92Å; I82-L193 HydrophobicContact CG2-CD2 4.48Å
83	F	98.4	Very high	91.9	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.009	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	128.1	178.8	-61.6	-92.8	0	0	0	109.7	L22 M65 L74 V81 F100 F121 S122 V123 L124 L141 L145	L22-F83 HydrophobicContact CB-CD1 4.13Å; L22-F83 HydrophobicContact CB-CE1 4.38Å; L22-F83 HydrophobicContact CD1-CD1 4.34Å; L22-F83 HydrophobicContact CD1-CE1 3.75Å; L22-F83 HydrophobicContact CD1-CZ 4.37Å; L22-F83 CarbonylContact O-C 3.56Å; L22-F83 VanDerWaalsContact O-CA 3.32Å; L22-F83 WeakPolarHBondContact O-CA 3.28Å; M65-F83 HydrophobicContact CE-CB 3.97Å; M65-F83 HydrophobicContact CE-CD1 3.79Å; M65-F83 HydrophobicContact CE-CG 4.39Å; M65-F83 HydrophobicContact SD-CD1 4.4Å; L74-F83 HydrophobicContact CD2-CZ 4.24Å; V81-F83 HydrophobicContact CB-CE2 3.88Å; V81-F83 HydrophobicContact CB-CZ 4.18Å; V81-F83 HydrophobicContact CG1-CD2 4.16Å; V81-F83 HydrophobicContact CG1-CE1 4.05Å; V81-F83 HydrophobicContact CG1-CE2 3.48Å; V81-F83 VanDerWaalsContact CG1-CE2 3.48Å; V81-F83 HydrophobicContact CG1-CZ 3.42Å; V81-F83 VanDerWaalsContact CG1-CZ 3.42Å; F83-F100 HydrophobicContact CE1-CE1 4.21Å; F83-F100 HydrophobicContact CE1-CE2 4.47Å; F83-F100 AromaticContact CE1-CZ 3.67Å; F83-F100 HydrophobicContact CE1-CZ 3.67Å; F83-F100 HydrophobicContact CZ-CZ 4.47Å; F83-F121 HydrophobicContact CD2-CB 4.41Å; F83-F121 HydrophobicContact CE2-CB 4.01Å; F83-S122 PolarHBondContact N-O 3.08Å; F83-V123 HydrophobicContact CB-CG1 4.35Å; F83-V123 HydrophobicContact CB-CG2 4.19Å; F83-V123 HydrophobicContact CD2-CG2 4.25Å; F83-V123 CarbonylContact O-C 3.59Å; F83-V123 WeakPolarHBondContact O-CA 3.46Å; F83-L124 PolarHBondContact O-N 2.88Å; F83-L141 HydrophobicContact CB-CD2 4.04Å; F83-L141 HydrophobicContact CD1-CD2 3.86Å; F83-L141 HydrophobicContact CG-CD2 4.03Å; F83-L145 HydrophobicContact CD2-CD1 3.84Å; F83-L145 HydrophobicContact CE2-CD1 3.53Å; F83-L145 HydrophobicContact CE2-CD2 4.46Å; F83-L145 HydrophobicContact CZ-CD1 3.97Å; F83-L145 HydrophobicContact CZ-CD2 4.26Å
84	V	98.3	Very high	91.8	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	109.7	175.1	-172.2	0	0	0	0	108.8	I21 L22 Y23 G24 A30 L33 A34 L37 I82 L124 L126	I21-V84 HydrophobicContact CG2-CG2 4.44Å; L22-V84 PolarHBondContact O-N 3.32Å; Y23-V84 CarbonylContact C-O 3.58Å; Y23-V84 WeakPolarHBondContact CA-O 3.4Å; Y23-V84 WeakPolarHBondContact CB-O 3.4Å; G24-V84 PolarHBondContact N-O 2.81Å; A30-V84 HydrophobicContact CB-CG1 4.12Å; A30-V84 WeakPolarHBondContact O-CG1 3.36Å; L33-V84 HydrophobicContact CB-CG1 4.26Å; A34-V84 HydrophobicContact CB-CB 4.14Å; A34-V84 HydrophobicContact CB-CG2 4.1Å; L37-V84 HydrophobicContact CD1-CG2 3.88Å; I82-V84 HydrophobicContact CG2-CG2 4.34Å; V84-L124 CarbonylContact C-O 3.53Å; V84-L124 WeakPolarHBondContact CA-O 3.32Å; V84-L124 HydrophobicContact CG1-CB 4.45Å; V84-L124 HydrophobicContact CG1-CD2 4.21Å; V84-L124 HydrophobicContact CG1-CG 4.49Å; V84-L124 HydrophobicContact CG2-CB 4.42Å; V84-L126 HydrophobicContact CG1-CD1 3.66Å
85	C	97.5	Very high	91.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	134.9	-175.2	56.6	0	0	0	0	113.9	G24 M65 M97 L124 G125 L126 V137	G24-C85 CarbonylContact O-C 3.57Å; G24-C85 VanDerWaalsContact O-CA 3.25Å; G24-C85 WeakPolarHBondContact O-CA 3.28Å; M65-C85 HydrophobicContact CE-CB 3.88Å; C85-M97 HydrophobicContact CB-CE 4.45Å; C85-M97 HydrophobicContact CB-SD 3.72Å; C85-L124 PolarHBondContact N-O 2.94Å; C85-G125 WeakPolarHBondContact O-CA 3.41Å; C85-L126 PolarHBondContact O-N 2.79Å; C85-V137 HydrophobicContact CB-CG1 4.32Å
86	S	95.7	Very high	91.5	Very high	13 Å²	13	30 Å²	30	9%	0.091	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	159.5	167.7	61.4	0	0	0	0	111.4	G24 Q26 P94 L126	G24-S86 PolarHBondContact O-N 3.03Å; Q26-S86 PolarHBondContact N-OG 3.19Å; S86-P94 WeakPolarHBondContact O-CD 3.35Å; S86-P94 VanDerWaalsContact O-CG 3.24Å; S86-P94 WeakPolarHBondContact O-CG 3.49Å; S86-P94 WeakPolarHBondContact OG-CG 3.31Å; S86-L126 VanDerWaalsContact CA-O 3.28Å; S86-L126 WeakPolarHBondContact CA-O 3.41Å
87	T	93	Very high	91.6	Very high	27 Å²	27	21.8 Å²	21.8	17%	0.166	12%	0.119	C	C	.	.			trans	-103.7	135.3	165.8	-63.3	0	0	0	0	110.1	L126 N135 F136 V137	T87-L126 PolarHBondContact N-O 3.43Å; T87-L126 VanDerWaalsContact N-O 3.14Å; T87-N135 WeakPolarHBondContact OG1-CA 3.41Å; T87-F136 HydrophobicContact CG2-CB 4.28Å; T87-F136 PolarHBondContact OG1-N 2.89Å; T87-V137 HydrophobicContact CG2-CG2 3.99Å; T87-V137 WeakPolarHBondContact OG1-CB 3.44Å; T87-V137 PolarHBondContact OG1-N 3.42Å
88	T	85.2	Confident	91.6	Very high	26 Å²	26	22.8 Å²	22.8	16%	0.16	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-104.8	133.2	176.5	68.3	0	0	0	0	110.8	Q26 R90 G91 V92 P94	Q26-T88 HydrophobicContact CB-CG2 3.43Å; Q26-T88 VanDerWaalsContact CB-CG2 3.43Å; Q26-T88 HydrophobicContact CG-CG2 3.59Å; T88-R90 PolarHBondContact O-N 3.25Å; T88-G91 PolarHBondContact O-N 3.15Å; T88-V92 WeakPolarHBondContact CB-O 3.29Å; T88-V92 PolarHBondContact N-O 3.07Å; T88-V92 PolarHBondContact O-N 3.05Å; T88-V92 WeakPolarHBondContact OG1-CB 3.31Å; T88-V92 PolarHBondContact OG1-O 3.18Å; T88-P94 HydrophobicContact CG2-CB 4.38Å; T88-P94 HydrophobicContact CG2-CG 4.02Å
89	G	78.1	Confident	91.8	Very high	20 Å²	20	21.3 Å²	21.3	21%	0.206	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	-118.8	174	0	0	0	0	0	114.3	G91	G89-G91 VanDerWaalsContact C-N 3.28Å; G89-G91 PolarHBondContact O-N 3.36Å; G89-G91 VanDerWaalsContact O-N 3.16Å
90	R	79.5	Confident	92.2	Very high	70 Å²	70	20.9 Å²	20.9	26%	0.264	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	49.2	-179.2	-67.3	-164.8	170.2	-123	-13.7	113.7	T88 D671	T88-R90 PolarHBondContact O-N 3.25Å; R90-D671 IonicContact CZ-OD1 2.63Å; R90-D671 VanDerWaalsContact CZ-OD1 3.22Å; R90-D671 IonicContact CZ-OD2 2.68Å; R90-D671 IonicContact NH1-OD1 3.98Å; R90-D671 PolarHBondContact NH1-OD1 3.07Å; R90-D671 IonicContact NH1-OD2 3.97Å; R90-D671 IonicContact NH2-OD1 3.73Å; R90-D671 PolarHBondContact NH2-OD1 3.45Å; R90-D671 IonicContact NH2-OD2 2.73Å; R90-D671 PolarHBondContact NH2-OD2 2.78Å
91	G	85.5	Confident	92.3	Very high	6 Å²	6	22.3 Å²	22.3	6%	0.062	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	22.1	176.2	0	0	0	0	0	114.1	T88 G89 F136	T88-G91 PolarHBondContact O-N 3.15Å; G89-G91 VanDerWaalsContact C-N 3.28Å; G89-G91 PolarHBondContact O-N 3.36Å; G89-G91 VanDerWaalsContact O-N 3.16Å; G91-F136 WeakPolarHBondContact O-CD1 3.47Å; G91-F136 WeakPolarHBondContact O-CE1 3.01Å
92	V	87.1	Confident	92.1	Very high	46 Å²	46	30.2 Å²	30.2	28%	0.279	16%	0.159	S	C	.	.	B	Isolated β-bridge	trans	-84.4	135	178.7	-179.5	0	0	0	0	109	T88	T88-V92 WeakPolarHBondContact CB-O 3.29Å; T88-V92 PolarHBondContact N-O 3.07Å; T88-V92 PolarHBondContact O-N 3.05Å; T88-V92 WeakPolarHBondContact OG1-CB 3.31Å; T88-V92 PolarHBondContact OG1-O 3.18Å
93	P	93.1	Very high	92	Very high	13 Å²	13	34.5 Å²	34.5	8%	0.084	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-64.2	144.1	172.9	28	-36.2	0	0	0	111.4	M97 W101 V137	P93-M97 HydrophobicContact CB-CE 4.15Å; P93-M97 HydrophobicContact CB-CG 3.85Å; P93-M97 HydrophobicContact CB-SD 4.15Å; P93-W101 HydrophobicContact CB-CB 4.24Å; P93-W101 HydrophobicContact CB-CD2 4.16Å; P93-W101 HydrophobicContact CB-CE3 4.49Å; P93-W101 HydrophobicContact CB-CG 4.07Å; P93-W101 HydrophobicContact CG-CB 4.19Å; P93-W101 HydrophobicContact CG-CD2 4.18Å; P93-W101 HydrophobicContact CG-CG 3.8Å; P93-V137 HydrophobicContact CB-CG1 4.37Å; P93-V137 HydrophobicContact CB-CG2 4.39Å
94	P	93	Very high	91.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-51.9	151.3	169.8	-29.5	33.4	0	0	0	113.9	Q26 S86 T88 N96 M97 S98	Q26-P94 HydrophobicContact CB-CB 4.2Å; Q26-P94 HydrophobicContact CB-CG 4.47Å; S86-P94 WeakPolarHBondContact O-CD 3.35Å; S86-P94 VanDerWaalsContact O-CG 3.24Å; S86-P94 WeakPolarHBondContact O-CG 3.49Å; S86-P94 WeakPolarHBondContact OG-CG 3.31Å; T88-P94 HydrophobicContact CG2-CB 4.38Å; T88-P94 HydrophobicContact CG2-CG 4.02Å; P94-N96 VanDerWaalsContact C-N 3.27Å; P94-N96 PolarHBondContact O-N 2.8Å; P94-M97 HydrophobicContact CB-CG 4.16Å; P94-M97 HydrophobicContact CG-CG 4.37Å; P94-M97 HydrophobicContact CG-SD 4.24Å; P94-M97 VanDerWaalsContact O-CG 3.29Å; P94-M97 WeakPolarHBondContact O-CG 3.42Å; P94-M97 PolarHBondContact O-N 3.05Å; P94-S98 PolarHBondContact O-N 2.81Å; P94-S98 PolarHBondContact O-OG 2.92Å
95	N	89.9	Confident	91.8	Very high	49 Å²	49	36.4 Å²	36.4	26%	0.262	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-55.1	-38.7	-176.4	-72.7	-21.1	0	0	0	113.9	Q26 M97 S537	Q26-N95 PolarHBondContact NE2-ND2 2.89Å; N95-M97 PolarHBondContact O-N 2.88Å; N95-S537 WeakPolarHBondContact OD1-CB 3.42Å; N95-S537 PolarHBondContact OD1-N 2.65Å; N95-S537 VanDerWaalsContact OD1-N 3.09Å; N95-S537 PolarHBondContact OD1-OG 2.85Å
96	N	92.5	Very high	91.7	Very high	38 Å²	38	40.3 Å²	40.3	20%	0.203	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-82.7	14	-179.2	67.4	-8.3	0	0	0	114.3	G24 S25 D66 P94	G24-N96 WeakPolarHBondContact CA-OD1 3.12Å; S25-N96 PolarHBondContact N-ND2 3.46Å; S25-N96 PolarHBondContact N-OD1 3.35Å; S25-N96 PolarHBondContact O-ND2 3.13Å; S25-N96 PolarHBondContact O-OD1 2.69Å; S25-N96 VanDerWaalsContact O-OD1 3.1Å; D66-N96 WeakPolarHBondContact CB-O 3.45Å; D66-N96 VanDerWaalsContact CG-C 3.48Å; D66-N96 PolarHBondContact N-O 3.44Å; P94-N96 VanDerWaalsContact C-N 3.27Å; P94-N96 PolarHBondContact O-N 2.8Å
97	M	95.3	Very high	91.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-134	8.9	169.5	70.5	170.5	-74.7	0	0	113.6	M65 D66 C85 P93 P94 N95 W101 V137	M65-M97 HydrophobicContact CB-CB 3.54Å; M65-M97 HydrophobicContact CE-CE 4.45Å; M65-M97 HydrophobicContact CE-SD 4.5Å; M65-M97 HydrophobicContact CG-CB 4.1Å; M65-M97 HydrophobicContact SD-CB 3.79Å; M65-M97 HydrophobicContact SD-CE 3.55Å; M65-M97 VanDerWaalsContact SD-CE 3.55Å; M65-M97 HydrophobicContact SD-CG 4.48Å; M65-M97 HydrophobicContact SD-SD 3.9Å; D66-M97 WeakPolarHBondContact OD1-CA 3.08Å; C85-M97 HydrophobicContact CB-CE 4.45Å; C85-M97 HydrophobicContact CB-SD 3.72Å; P93-M97 HydrophobicContact CB-CE 4.15Å; P93-M97 HydrophobicContact CB-CG 3.85Å; P93-M97 HydrophobicContact CB-SD 4.15Å; P94-M97 HydrophobicContact CB-CG 4.16Å; P94-M97 HydrophobicContact CG-CG 4.37Å; P94-M97 HydrophobicContact CG-SD 4.24Å; P94-M97 VanDerWaalsContact O-CG 3.29Å; P94-M97 WeakPolarHBondContact O-CG 3.42Å; P94-M97 PolarHBondContact O-N 3.05Å; N95-M97 PolarHBondContact O-N 2.88Å; M97-W101 HydrophobicContact CE-CB 4.44Å; M97-W101 HydrophobicContact CE-CD2 4.49Å; M97-W101 HydrophobicContact CE-CE3 3.65Å; M97-W101 HydrophobicContact CE-CZ3 4.23Å; M97-W101 WeakPolarHBondContact O-CB 3.42Å; M97-W101 PolarHBondContact O-N 3.15Å; M97-V137 HydrophobicContact CE-CG1 3.52Å; M97-V137 HydrophobicContact SD-CG1 3.79Å
98	S	92.3	Very high	91.6	Very high	33 Å²	33	53.1 Å²	53.1	23%	0.231	27%	0.268	C	S	.	.	H	α-helix	trans	-68	-37.2	-173.5	-84.1	0	0	0	0	112.8	D66 P94 K102 S537	D66-S98 PolarHBondContact OD1-N 2.8Å; D66-S98 PolarHBondContact OD2-N 2.91Å; P94-S98 PolarHBondContact O-N 2.81Å; P94-S98 PolarHBondContact O-OG 2.92Å; S98-K102 WeakPolarHBondContact O-CB 3.46Å; S98-K102 PolarHBondContact O-N 3.04Å; S98-K102 VanDerWaalsContact O-N 3.08Å; S98-S537 PolarHBondContact OG-OG 2.87Å
99	I	93.7	Very high	92	Very high	94 Å²	94	54.7 Å²	54.7	48%	0.482	28%	0.275	S	S	.	.	H	α-helix	trans	-71.3	-46.3	177.7	-58.9	171.6	0	0	0	110	D66 W101 K102 K103	D66-I99 HydrophobicContact CB-CB 4.46Å; D66-I99 WeakPolarHBondContact OD1-CA 3.29Å; D66-I99 WeakPolarHBondContact OD1-CB 3.38Å; D66-I99 PolarHBondContact OD1-N 3.31Å; D66-I99 PolarHBondContact OD2-N 2.8Å; I99-W101 VanDerWaalsContact C-N 3.34Å; I99-K102 PolarHBondContact O-N 3.33Å; I99-K103 HydrophobicContact CG2-CD 4.21Å; I99-K103 WeakPolarHBondContact O-CG 3.5Å; I99-K103 PolarHBondContact O-N 3.01Å; I99-K103 VanDerWaalsContact O-N 3.11Å
100	F	97.6	Very high	92.7	Very high	1 Å²	1	58.6 Å²	58.6	0%	0.004	29%	0.29	C	S	.	.	H	α-helix	trans	-57	-49.7	175.1	178.9	-85.3	0	0	0	110.8	L22 M65 D66 Y68 V71 L74 F83 K102 K103 I104 L141	L22-F100 HydrophobicContact CD1-CE2 4.3Å; M65-F100 HydrophobicContact CB-CB 3.73Å; M65-F100 HydrophobicContact CB-CD1 4.09Å; M65-F100 HydrophobicContact CB-CD2 4.15Å; M65-F100 HydrophobicContact CB-CG 3.73Å; M65-F100 HydrophobicContact CG-CD1 4.33Å; M65-F100 HydrophobicContact CG-CG 4.37Å; M65-F100 WeakPolarHBondContact O-CB 3.48Å; M65-F100 WeakPolarHBondContact O-CD2 3.27Å; M65-F100 HydrophobicContact SD-CD1 3.89Å; M65-F100 HydrophobicContact SD-CE1 4.12Å; M65-F100 HydrophobicContact SD-CG 4.49Å; D66-F100 PolarHBondContact OD1-N 2.88Å; Y68-F100 HydrophobicContact CD1-CE2 4.42Å; V71-F100 HydrophobicContact CG1-CD2 4.16Å; V71-F100 HydrophobicContact CG1-CE2 3.85Å; V71-F100 HydrophobicContact CG1-CZ 4.42Å; V71-F100 HydrophobicContact CG2-CD2 3.65Å; V71-F100 HydrophobicContact CG2-CE2 4.16Å; V71-F100 HydrophobicContact CG2-CG 4.34Å; L74-F100 HydrophobicContact CD1-CE2 4.12Å; L74-F100 HydrophobicContact CD1-CZ 4.03Å; F83-F100 HydrophobicContact CE1-CE1 4.21Å; F83-F100 HydrophobicContact CE1-CE2 4.47Å; F83-F100 AromaticContact CE1-CZ 3.67Å; F83-F100 HydrophobicContact CE1-CZ 3.67Å; F83-F100 HydrophobicContact CZ-CZ 4.47Å; F100-K102 PolarHBondContact O-N 3.44Å; F100-K103 PolarHBondContact O-N 2.82Å; F100-K103 VanDerWaalsContact O-N 3.1Å; F100-I104 HydrophobicContact CD1-CG2 4.1Å; F100-I104 HydrophobicContact CE1-CB 4.14Å; F100-I104 HydrophobicContact CE1-CG1 4.48Å; F100-I104 HydrophobicContact CE1-CG2 3.83Å; F100-I104 HydrophobicContact CZ-CB 4.46Å; F100-I104 WeakPolarHBondContact O-CG2 3.4Å; F100-I104 PolarHBondContact O-N 3.29Å; F100-L141 HydrophobicContact CE1-CD1 4.11Å
101	W	96.1	Very high	93.4	Very high	31 Å²	31	59.1 Å²	59.1	12%	0.117	30%	0.303	C	S	.	.	H	α-helix	trans	-55.6	-49.9	178.9	-179.8	-98.5	0	0	0	111.8	P93 M97 I99 K103 I104 M105 V137 K140 L141	P93-W101 HydrophobicContact CB-CB 4.24Å; P93-W101 HydrophobicContact CB-CD2 4.16Å; P93-W101 HydrophobicContact CB-CE3 4.49Å; P93-W101 HydrophobicContact CB-CG 4.07Å; P93-W101 HydrophobicContact CG-CB 4.19Å; P93-W101 HydrophobicContact CG-CD2 4.18Å; P93-W101 HydrophobicContact CG-CG 3.8Å; M97-W101 HydrophobicContact CE-CB 4.44Å; M97-W101 HydrophobicContact CE-CD2 4.49Å; M97-W101 HydrophobicContact CE-CE3 3.65Å; M97-W101 HydrophobicContact CE-CZ3 4.23Å; M97-W101 WeakPolarHBondContact O-CB 3.42Å; M97-W101 PolarHBondContact O-N 3.15Å; I99-W101 VanDerWaalsContact C-N 3.34Å; W101-K103 VanDerWaalsContact C-N 3.28Å; W101-K103 PolarHBondContact O-N 3.25Å; W101-I104 PolarHBondContact O-N 3.07Å; W101-M105 HydrophobicContact CD2-CE 4.17Å; W101-M105 HydrophobicContact CD2-CG 3.9Å; W101-M105 HydrophobicContact CE3-CE 3.74Å; W101-M105 HydrophobicContact CE3-CG 4.36Å; W101-M105 HydrophobicContact CG-CG 4.25Å; W101-M105 HydrophobicContact CH2-CE 3.58Å; W101-M105 HydrophobicContact CZ2-CE 3.97Å; W101-M105 HydrophobicContact CZ2-CG 4.3Å; W101-M105 HydrophobicContact CZ3-CE 3.43Å; W101-M105 VanDerWaalsContact CZ3-CE 3.43Å; W101-M105 WeakPolarHBondContact O-CB 3.1Å; W101-M105 WeakPolarHBondContact O-CG 3.42Å; W101-M105 PolarHBondContact O-N 3Å; W101-V137 HydrophobicContact CE3-CG1 4.12Å; W101-V137 HydrophobicContact CH2-CB 4.35Å; W101-V137 HydrophobicContact CH2-CG1 4.09Å; W101-V137 HydrophobicContact CZ3-CB 4.31Å; W101-V137 HydrophobicContact CZ3-CG1 3.58Å; W101-V137 WeakPolarHBondContact CZ3-O 3.45Å; W101-K140 HydrophobicContact CH2-CB 3.91Å; W101-K140 HydrophobicContact CH2-CD 3.97Å; W101-K140 HydrophobicContact CH2-CG 4.03Å; W101-K140 HydrophobicContact CZ2-CD 3.84Å; W101-K140 HydrophobicContact CZ2-CG 4.35Å; W101-L141 HydrophobicContact CZ3-CB 4.16Å
102	K	94	Very high	93.6	Very high	166 Å²	166	61.5 Å²	61.5	72%	0.722	33%	0.327	S	S	*	.	H	α-helix	trans	-59	-40.2	177.8	-176.4	179.3	177.6	-177.4	0	112.1	S98 I99 F100 N106	S98-K102 WeakPolarHBondContact O-CB 3.46Å; S98-K102 PolarHBondContact O-N 3.04Å; S98-K102 VanDerWaalsContact O-N 3.08Å; I99-K102 PolarHBondContact O-N 3.33Å; F100-K102 PolarHBondContact O-N 3.44Å; K102-N106 PolarHBondContact O-N 2.74Å
103	K	96.3	Very high	93.7	Very high	89 Å²	89	69.5 Å²	69.5	39%	0.387	35%	0.352	S	S	.	.	H	α-helix	trans	-70.6	-47.6	-179.5	-73.1	174.4	-179.9	172.8	0	111.9	V71 I99 F100 W101 N106 L109	V71-K103 HydrophobicContact CB-CB 4.27Å; V71-K103 HydrophobicContact CB-CD 4.3Å; V71-K103 HydrophobicContact CG2-CB 3.94Å; V71-K103 HydrophobicContact CG2-CD 3.63Å; V71-K103 HydrophobicContact CG2-CG 4.43Å; I99-K103 HydrophobicContact CG2-CD 4.21Å; I99-K103 WeakPolarHBondContact O-CG 3.5Å; I99-K103 PolarHBondContact O-N 3.01Å; I99-K103 VanDerWaalsContact O-N 3.11Å; F100-K103 PolarHBondContact O-N 2.82Å; F100-K103 VanDerWaalsContact O-N 3.1Å; W101-K103 VanDerWaalsContact C-N 3.28Å; W101-K103 PolarHBondContact O-N 3.25Å; K103-N106 WeakPolarHBondContact O-CB 3.35Å; K103-N106 PolarHBondContact O-N 2.85Å; K103-L109 WeakPolarHBondContact O-CD1 3.31Å
104	I	97.1	Very high	93.8	Very high	4 Å²	4	70.4 Å²	70.4	2%	0.021	36%	0.359	C	S	.	.	H	α-helix	trans	-73.6	-29.9	-177	-159.6	67.8	0	0	0	112.7	V71 L74 F100 W101 N106 L109 L141 R144 L148	V71-I104 HydrophobicContact CG1-CD1 4.11Å; L74-I104 HydrophobicContact CD1-CD1 4.01Å; F100-I104 HydrophobicContact CD1-CG2 4.1Å; F100-I104 HydrophobicContact CE1-CB 4.14Å; F100-I104 HydrophobicContact CE1-CG1 4.48Å; F100-I104 HydrophobicContact CE1-CG2 3.83Å; F100-I104 HydrophobicContact CZ-CB 4.46Å; F100-I104 WeakPolarHBondContact O-CG2 3.4Å; F100-I104 PolarHBondContact O-N 3.29Å; W101-I104 PolarHBondContact O-N 3.07Å; I104-N106 PolarHBondContact O-N 2.73Å; I104-L109 HydrophobicContact CD1-CD1 4.49Å; I104-L141 HydrophobicContact CG2-CD1 4.17Å; I104-R144 PolarHBondContact O-NE 3.41Å; I104-R144 VanDerWaalsContact O-NE 3.11Å; I104-L148 HydrophobicContact CD1-CD1 3.68Å; I104-L148 HydrophobicContact CG1-CD1 4.06Å
105	M	95.7	Very high	93.9	Very high	38 Å²	38	71 Å²	71	19%	0.187	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	0.2	175.1	-63.3	-62.8	169.1	0	0	113.2	W101 R107 K140 L141 R144	W101-M105 HydrophobicContact CD2-CE 4.17Å; W101-M105 HydrophobicContact CD2-CG 3.9Å; W101-M105 HydrophobicContact CE3-CE 3.74Å; W101-M105 HydrophobicContact CE3-CG 4.36Å; W101-M105 HydrophobicContact CG-CG 4.25Å; W101-M105 HydrophobicContact CH2-CE 3.58Å; W101-M105 HydrophobicContact CZ2-CE 3.97Å; W101-M105 HydrophobicContact CZ2-CG 4.3Å; W101-M105 HydrophobicContact CZ3-CE 3.43Å; W101-M105 VanDerWaalsContact CZ3-CE 3.43Å; W101-M105 WeakPolarHBondContact O-CB 3.1Å; W101-M105 WeakPolarHBondContact O-CG 3.42Å; W101-M105 PolarHBondContact O-N 3Å; M105-R107 PolarHBondContact O-N 3.42Å; M105-K140 HydrophobicContact CE-CB 4.49Å; M105-K140 HydrophobicContact CE-CG 3.87Å; M105-K140 HydrophobicContact SD-CG 4.26Å; M105-L141 HydrophobicContact CE-CB 4.49Å; M105-R144 HydrophobicContact CE-CB 3.83Å; M105-R144 HydrophobicContact CE-CG 4.18Å; M105-R144 HydrophobicContact SD-CB 3.89Å; M105-R144 HydrophobicContact SD-CG 3.73Å
106	N	95.3	Very high	94	Very high	82 Å²	82	70.2 Å²	70.2	44%	0.439	36%	0.36	S	S	.	.			trans	-62.1	124.3	179.3	-172.2	-18.7	0	0	0	110.6	K102 K103 I104 A108 L109 R144	K102-N106 PolarHBondContact O-N 2.74Å; K103-N106 WeakPolarHBondContact O-CB 3.35Å; K103-N106 PolarHBondContact O-N 2.85Å; I104-N106 PolarHBondContact O-N 2.73Å; N106-A108 PolarHBondContact O-N 3.04Å; N106-A108 WeakPolarHBondContact OD1-CB 3.3Å; N106-A108 PolarHBondContact OD1-N 3.19Å; N106-L109 HydrophobicContact CB-CG 4.45Å; N106-L109 WeakPolarHBondContact O-CB 3.43Å; N106-L109 PolarHBondContact O-N 3.4Å; N106-L109 VanDerWaalsContact O-N 3.11Å; N106-R144 PolarHBondContact O-NH2 2.9Å
107	R	92.3	Very high	94	Very high	230 Å²	230	72.9 Å²	72.9	87%	0.868	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-19.2	-179.6	-62.6	-176.7	-177	-177.8	0.8	113.4	M105 L109	M105-R107 PolarHBondContact O-N 3.42Å; R107-L109 PolarHBondContact O-N 3.05Å
108	A	93.8	Very high	93.8	Very high	79 Å²	79	77.7 Å²	77.7	65%	0.653	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-18.2	174.1	0	0	0	0	0	113.3	N106 I110	N106-A108 PolarHBondContact O-N 3.04Å; N106-A108 WeakPolarHBondContact OD1-CB 3.3Å; N106-A108 PolarHBondContact OD1-N 3.19Å; A108-I110 PolarHBondContact O-N 3.26Å
109	L	94.1	Very high	93.9	Very high	59 Å²	59	76.2 Å²	76.2	31%	0.309	40%	0.395	S	S	.	.	S	Bend	trans	-72.7	122.3	172.8	-62.2	177.8	0	0	0	109.8	K103 I104 N106 R107 R144 L148	K103-L109 WeakPolarHBondContact O-CD1 3.31Å; I104-L109 HydrophobicContact CD1-CD1 4.49Å; N106-L109 HydrophobicContact CB-CG 4.45Å; N106-L109 WeakPolarHBondContact O-CB 3.43Å; N106-L109 PolarHBondContact O-N 3.4Å; N106-L109 VanDerWaalsContact O-N 3.11Å; R107-L109 PolarHBondContact O-N 3.05Å; L109-R144 PolarHBondContact O-NH2 2.83Å; L109-L148 HydrophobicContact CB-CD2 3.66Å; L109-L148 HydrophobicContact CD1-CD1 4.14Å
110	I	92.7	Very high	93.9	Very high	102 Å²	102	73.9 Å²	73.9	52%	0.523	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-76.6	123.2	-174	-55	172.5	0	0	0	110	A108 R113 S114	A108-I110 PolarHBondContact O-N 3.26Å; I110-R113 HydrophobicContact CB-CB 4.42Å; I110-R113 HydrophobicContact CG2-CB 4.19Å; I110-R113 HydrophobicContact CG2-CG 4.4Å; I110-R113 PolarHBondContact O-N 3.47Å; I110-S114 PolarHBondContact N-OG 2.97Å; I110-S114 PolarHBondContact O-N 3.34Å; I110-S114 PolarHBondContact O-OG 3.28Å
111	P	93	Very high	93.9	Very high	82 Å²	82	73.9 Å²	73.9	53%	0.532	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	142.3	173.4	-26.5	36	0	0	0	113.3	R113 Q147	P111-R113 PolarHBondContact O-N 3.35Å; P111-R113 VanDerWaalsContact O-N 3.11Å; P111-Q147 CarbonylContact C-O 3.51Å; P111-Q147 WeakPolarHBondContact CA-O 3.19Å; P111-Q147 VanDerWaalsContact CB-O 3.31Å; P111-Q147 WeakPolarHBondContact CB-O 3.19Å
112	G	90.1	Very high	93.9	Very high	55 Å²	55	72.6 Å²	72.6	57%	0.567	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	3.1	178.4	0	0	0	0	0	115.9	Q147	G112-Q147 PolarHBondContact N-O 3.26Å
113	R	89.4	Confident	94.1	Very high	214 Å²	214	64.7 Å²	64.7	81%	0.808	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.5	-15.6	-176.4	-63	-169.3	-178.6	-162	0.6	114.9	I110 P111 L148	I110-R113 HydrophobicContact CB-CB 4.42Å; I110-R113 HydrophobicContact CG2-CB 4.19Å; I110-R113 HydrophobicContact CG2-CG 4.4Å; I110-R113 PolarHBondContact O-N 3.47Å; P111-R113 PolarHBondContact O-N 3.35Å; P111-R113 VanDerWaalsContact O-N 3.11Å; R113-L148 PolarHBondContact N-O 3.19Å
114	S	94.6	Very high	94.1	Very high	33 Å²	33	60.5 Å²	60.5	23%	0.231	32%	0.324	C	S	.	.	S	Bend	trans	-81.5	-29	-174.4	-61	0	0	0	0	112.8	I110 L148	I110-S114 PolarHBondContact N-OG 2.97Å; I110-S114 PolarHBondContact O-N 3.34Å; I110-S114 PolarHBondContact O-OG 3.28Å; S114-L148 PolarHBondContact N-O 3.02Å
115	L	95.7	Very high	94.1	Very high	12 Å²	12	60.3 Å²	60.3	6%	0.063	32%	0.323	C	S	.	.	S	Bend	trans	-122.6	142.6	174.5	-62.7	177.8	0	0	0	108.8	L74 A75 L119 L145 L148 A150	L74-L115 HydrophobicContact CB-CD2 3.66Å; L74-L115 HydrophobicContact CD1-CD2 4.49Å; A75-L115 HydrophobicContact CB-CD2 4.5Å; L115-L119 HydrophobicContact CB-CD2 4.14Å; L115-L119 HydrophobicContact CD1-CD2 4.07Å; L115-L119 HydrophobicContact CD2-CD2 3.95Å; L115-L119 HydrophobicContact CG-CD2 4.27Å; L115-L145 HydrophobicContact CD1-CD2 3.72Å; L115-L148 HydrophobicContact CB-CB 4.32Å; L115-L148 HydrophobicContact CD1-CB 3.82Å; L115-L148 HydrophobicContact CD1-CD1 4.17Å; L115-L148 HydrophobicContact CG-CB 3.93Å; L115-L148 PolarHBondContact N-O 3.09Å; L115-A150 HydrophobicContact CB-CB 4.19Å; L115-A150 HydrophobicContact CD1-CB 3.99Å
116	P	93.1	Very high	94	Very high	32 Å²	32	58.8 Å²	58.8	21%	0.208	32%	0.316	C	S	.	.			trans	-81.2	152.5	-177.4	37.6	-38.7	0	0	0	110.8	D118 L119	P116-D118 WeakPolarHBondContact CB-OD1 3.46Å; P116-D118 WeakPolarHBondContact CG-OD1 3.35Å; P116-D118 PolarHBondContact O-N 2.77Å; P116-L119 HydrophobicContact CG-CB 4.05Å; P116-L119 VanDerWaalsContact O-CB 3.26Å; P116-L119 WeakPolarHBondContact O-CB 3.47Å; P116-L119 PolarHBondContact O-N 2.93Å; P116-L119 VanDerWaalsContact O-N 3.08Å
117	P	91.2	Very high	93.9	Very high	95 Å²	95	55.2 Å²	55.2	62%	0.617	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-16.9	-175.9	28.6	-35.9	0	0	0	113.9	L119 G149 T151	P117-L119 VanDerWaalsContact C-N 3.3Å; P117-G149 WeakPolarHBondContact CA-O 3.3Å; P117-T151 WeakPolarHBondContact O-CB 3.29Å; P117-T151 PolarHBondContact O-OG1 3.45Å
118	D	91.2	Very high	93.7	Very high	100 Å²	100	45.4 Å²	45.4	54%	0.535	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-4.7	173.4	64.4	-26.5	0	0	0	113.1	P116 H120	P116-D118 WeakPolarHBondContact CB-OD1 3.46Å; P116-D118 WeakPolarHBondContact CG-OD1 3.35Å; P116-D118 PolarHBondContact O-N 2.77Å; D118-H120 PolarHBondContact O-N 3.13Å; D118-H120 VanDerWaalsContact O-N 3.11Å; D118-H120 PolarHBondContact O-ND1 3.34Å
119	L	93.9	Very high	93.5	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.016	25%	0.251	C	S	.	.			trans	-73.9	98.8	168.6	-177.5	65.2	0	0	0	109.6	L74 E77 V81 L115 P116 P117 A150 T151	L74-L119 HydrophobicContact CB-CD2 4.22Å; E77-L119 HydrophobicContact CB-CD1 3.74Å; V81-L119 HydrophobicContact CG2-CD1 3.72Å; L115-L119 HydrophobicContact CB-CD2 4.14Å; L115-L119 HydrophobicContact CD1-CD2 4.07Å; L115-L119 HydrophobicContact CD2-CD2 3.95Å; L115-L119 HydrophobicContact CG-CD2 4.27Å; P116-L119 HydrophobicContact CG-CB 4.05Å; P116-L119 VanDerWaalsContact O-CB 3.26Å; P116-L119 WeakPolarHBondContact O-CB 3.47Å; P116-L119 PolarHBondContact O-N 2.93Å; P116-L119 VanDerWaalsContact O-N 3.08Å; P117-L119 VanDerWaalsContact C-N 3.3Å; L119-A150 HydrophobicContact CB-CB 4.39Å; L119-A150 HydrophobicContact CD2-CB 4.11Å; L119-A150 HydrophobicContact CG-CB 4.34Å; L119-T151 PolarHBondContact O-N 2.56Å
120	H	95.3	Very high	93	Very high	45 Å²	45	45.4 Å²	45.4	21%	0.208	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	139.4	176.9	-65.9	75.9	0	0	0	110.4	V80 V81 D118 T151 L153 L200	V80-H120 CarbonylContact C-O 3.52Å; V80-H120 WeakPolarHBondContact CA-O 3.2Å; V81-H120 PolarHBondContact N-O 3.48Å; D118-H120 PolarHBondContact O-N 3.13Å; D118-H120 VanDerWaalsContact O-N 3.11Å; D118-H120 PolarHBondContact O-ND1 3.34Å; H120-T151 CarbonylContact C-O 3.49Å; H120-T151 VanDerWaalsContact CA-O 3.23Å; H120-T151 WeakPolarHBondContact CA-O 3.14Å; H120-L153 HydrophobicContact CB-CD2 4.04Å; H120-L153 HydrophobicContact CB-CG 4.24Å; H120-L200 HydrophobicContact CB-CD2 3.8Å
121	F	96.3	Very high	92.4	Very high	1 Å²	1	44.1 Å²	44.1	0%	0.004	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	160.1	179.5	77.2	-83.2	0	0	0	114.4	V81 F83 V123 Y142 L145 L146 A150 T151 P152 L153	V81-F121 CarbonylContact O-C 3.53Å; V81-F121 WeakPolarHBondContact O-CA 3.32Å; V81-F121 VanDerWaalsContact O-CB 3.28Å; V81-F121 WeakPolarHBondContact O-CB 3.37Å; F83-F121 HydrophobicContact CD2-CB 4.41Å; F83-F121 HydrophobicContact CE2-CB 4.01Å; F121-V123 HydrophobicContact CD2-CG2 3.78Å; F121-V123 HydrophobicContact CE2-CG2 3.84Å; F121-Y142 AromaticContact CE2-CD2 3.54Å; F121-Y142 HydrophobicContact CE2-CD2 3.54Å; F121-Y142 AromaticContact CE2-CE2 3.82Å; F121-Y142 HydrophobicContact CE2-CE2 3.82Å; F121-Y142 HydrophobicContact CE2-CG 4.4Å; F121-Y142 HydrophobicContact CZ-CD2 4.06Å; F121-Y142 HydrophobicContact CZ-CE2 4.02Å; F121-L145 HydrophobicContact CD1-CB 4.34Å; F121-L145 HydrophobicContact CD2-CB 4.26Å; F121-L145 HydrophobicContact CD2-CD1 3.55Å; F121-L145 HydrophobicContact CE1-CB 3.9Å; F121-L145 HydrophobicContact CE2-CB 3.8Å; F121-L145 HydrophobicContact CE2-CD1 3.7Å; F121-L145 HydrophobicContact CE2-CG 4.41Å; F121-L145 HydrophobicContact CG-CD1 4.11Å; F121-L145 HydrophobicContact CZ-CB 3.62Å; F121-L145 HydrophobicContact CZ-CD1 4.38Å; F121-L146 HydrophobicContact CE1-CD2 4.1Å; F121-L146 HydrophobicContact CZ-CD2 3.87Å; F121-L146 HydrophobicContact CZ-CG 4.07Å; F121-A150 HydrophobicContact CD1-CB 3.6Å; F121-A150 HydrophobicContact CE1-CB 3.76Å; F121-T151 WeakPolarHBondContact CD1-O 3.49Å; F121-T151 VanDerWaalsContact CE1-C 3.5Å; F121-T151 PolarHBondContact N-O 3.45Å; F121-P152 HydrophobicContact CE1-CB 4.26Å; F121-P152 HydrophobicContact CZ-CB 4.19Å; F121-P152 CarbonylContact O-C 3.07Å; F121-P152 WeakPolarHBondContact O-CA 3.28Å; F121-L153 PolarHBondContact O-N 2.76Å
122	S	96.5	Very high	91.7	Very high	3 Å²	3	44.5 Å²	44.5	2%	0.021	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	149.1	169.8	-169.2	0	0	0	0	109.4	V81 I82 F83 S170 W189	V81-S122 PolarHBondContact O-N 2.98Å; V81-S122 VanDerWaalsContact O-N 3.07Å; I82-S122 WeakPolarHBondContact CA-O 3.32Å; F83-S122 PolarHBondContact N-O 3.08Å; S122-S170 PolarHBondContact OG-O 3.04Å; S122-S170 VanDerWaalsContact OG-O 3.07Å; S122-W189 WeakPolarHBondContact OG-CZ2 3.25Å
123	V	97.5	Very high	91.5	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	125	-178.6	-175.7	0	0	0	0	109.6	F83 F121 A138 Y142 L145 S170 L171 G172	F83-V123 HydrophobicContact CB-CG1 4.35Å; F83-V123 HydrophobicContact CB-CG2 4.19Å; F83-V123 HydrophobicContact CD2-CG2 4.25Å; F83-V123 CarbonylContact O-C 3.59Å; F83-V123 WeakPolarHBondContact O-CA 3.46Å; F121-V123 HydrophobicContact CD2-CG2 3.78Å; F121-V123 HydrophobicContact CE2-CG2 3.84Å; V123-A138 HydrophobicContact CG1-CB 3.93Å; V123-Y142 HydrophobicContact CB-CD2 4.33Å; V123-Y142 HydrophobicContact CG2-CD2 3.99Å; V123-L145 HydrophobicContact CG2-CD1 4.23Å; V123-S170 PolarHBondContact N-O 2.94Å; V123-L171 HydrophobicContact CB-CD1 3.87Å; V123-L171 HydrophobicContact CG1-CD1 3.87Å; V123-L171 CarbonylContact O-C 3.51Å; V123-L171 VanDerWaalsContact O-CA 3.29Å; V123-L171 WeakPolarHBondContact O-CA 3.5Å; V123-G172 PolarHBondContact O-N 2.82Å
124	L	97.3	Very high	91.6	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	114.9	169.4	-179.4	62.9	0	0	0	109.2	L33 F83 V84 C85 L126 G172 V185 L186 W189	L33-L124 HydrophobicContact CD1-CD2 4.16Å; F83-L124 PolarHBondContact O-N 2.88Å; V84-L124 CarbonylContact C-O 3.53Å; V84-L124 WeakPolarHBondContact CA-O 3.32Å; V84-L124 HydrophobicContact CG1-CB 4.45Å; V84-L124 HydrophobicContact CG1-CD2 4.21Å; V84-L124 HydrophobicContact CG1-CG 4.49Å; V84-L124 HydrophobicContact CG2-CB 4.42Å; C85-L124 PolarHBondContact N-O 2.94Å; L124-L126 HydrophobicContact CG-CD1 4.42Å; L124-G172 CarbonylContact C-O 3.48Å; L124-G172 WeakPolarHBondContact CA-O 3.5Å; L124-V185 HydrophobicContact CD1-CG1 4.34Å; L124-L186 HydrophobicContact CD1-CD2 4.01Å; L124-L186 HydrophobicContact CD2-CD2 3.67Å; L124-L186 HydrophobicContact CG-CD2 4.46Å; L124-W189 HydrophobicContact CB-CH2 3.72Å; L124-W189 HydrophobicContact CB-CZ2 3.7Å; L124-W189 HydrophobicContact CB-CZ3 4.15Å; L124-W189 HydrophobicContact CD1-CD2 4.18Å; L124-W189 HydrophobicContact CD1-CE3 4.35Å; L124-W189 HydrophobicContact CD1-CG 4.5Å; L124-W189 HydrophobicContact CD2-CE3 4.17Å; L124-W189 HydrophobicContact CD2-CH2 4.34Å; L124-W189 HydrophobicContact CD2-CZ3 3.95Å
125	G	96.7	Very high	91.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	138.2	170.1	0	0	0	0	0	111.6	C85 N135 G172 A174	C85-G125 WeakPolarHBondContact O-CA 3.41Å; G125-N135 WeakPolarHBondContact CA-OD1 3.48Å; G125-N135 PolarHBondContact O-OD1 2.84Å; G125-G172 PolarHBondContact N-O 3.29Å; G125-A174 WeakPolarHBondContact O-CB 3.45Å; G125-A174 PolarHBondContact O-N 2.92Å
126	L	94.6	Very high	91.6	Very high	6 Å²	6	37.5 Å²	37.5	3%	0.031	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	125.8	164.8	-63	77.8	0	0	0	108.6	N29 A30 L33 V84 C85 S86 T87 L124 N135	N29-L126 HydrophobicContact CB-CD2 3.92Å; A30-L126 HydrophobicContact CB-CD1 3.82Å; A30-L126 HydrophobicContact CB-CD2 4.26Å; L33-L126 HydrophobicContact CD1-CD1 4.17Å; L33-L126 HydrophobicContact CD1-CD2 3.7Å; L33-L126 HydrophobicContact CD1-CG 4.09Å; V84-L126 HydrophobicContact CG1-CD1 3.66Å; C85-L126 PolarHBondContact O-N 2.79Å; S86-L126 VanDerWaalsContact CA-O 3.28Å; S86-L126 WeakPolarHBondContact CA-O 3.41Å; T87-L126 PolarHBondContact N-O 3.43Å; T87-L126 VanDerWaalsContact N-O 3.14Å; L124-L126 HydrophobicContact CG-CD1 4.42Å; L126-N135 PolarHBondContact N-OD1 2.83Å; L126-N135 VanDerWaalsContact N-OD1 3.11Å; L126-N135 PolarHBondContact O-OD1 3.06Å
127	G	92	Very high	91.7	Very high	8 Å²	8	36 Å²	36	8%	0.082	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	179.2	178.7	0	0	0	0	0	112.4	N135 A174 D175 E176	G127-N135 PolarHBondContact N-OD1 2.85Å; G127-A174 PolarHBondContact N-O 3.39Å; G127-D175 CarbonylContact O-C 3.54Å; G127-D175 WeakPolarHBondContact O-CA 3.49Å; G127-E176 PolarHBondContact O-N 2.8Å
128	D	88.4	Confident	92	Very high	24 Å²	24	31.5 Å²	31.5	13%	0.128	17%	0.173	C	C	.	.			trans	-131.4	119.7	177.1	173.2	-34.8	0	0	0	106.5	S130 Y131 D175 E176 Q177	D128-S130 PolarHBondContact O-N 2.91Å; D128-S130 WeakPolarHBondContact OD1-CA 3.25Å; D128-S130 WeakPolarHBondContact OD1-CB 3.35Å; D128-S130 PolarHBondContact OD1-N 3.02Å; D128-S130 PolarHBondContact OD1-OG 3.15Å; D128-S130 PolarHBondContact OD2-OG 3.04Å; D128-Y131 HydrophobicContact CB-CD2 3.71Å; D128-Y131 HydrophobicContact CB-CE2 3.97Å; D128-Y131 PolarHBondContact O-N 3.36Å; D128-Y131 VanDerWaalsContact O-N 3.15Å; D128-D175 WeakPolarHBondContact CA-OD1 3.16Å; D128-E176 HydrophobicContact CB-CB 4.19Å; D128-Q177 WeakPolarHBondContact OD1-CG 3.49Å; D128-Q177 PolarHBondContact OD1-NE2 3.06Å; D128-Q177 PolarHBondContact OD2-NE2 2.93Å
129	S	90	Very high	92.3	Very high	56 Å²	56	29.3 Å²	29.3	39%	0.392	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-8.1	-175.7	61.4	0	0	0	0	114.7	Y131 D175 Q177	S129-Y131 PolarHBondContact O-N 3.46Å; S129-D175 WeakPolarHBondContact CB-OD2 3.49Å; S129-D175 PolarHBondContact N-OD1 3.49Å; S129-D175 PolarHBondContact OG-OD1 3.26Å; S129-D175 PolarHBondContact OG-OD2 3.15Å; S129-Q177 WeakPolarHBondContact OG-CB 3.36Å
130	S	83.1	Confident	92.4	Very high	81 Å²	81	33.3 Å²	33.3	57%	0.566	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-16.6	167.6	77.2	0	0	0	0	112.5	D128	D128-S130 PolarHBondContact O-N 2.91Å; D128-S130 WeakPolarHBondContact OD1-CA 3.25Å; D128-S130 WeakPolarHBondContact OD1-CB 3.35Å; D128-S130 PolarHBondContact OD1-N 3.02Å; D128-S130 PolarHBondContact OD1-OG 3.15Å; D128-S130 PolarHBondContact OD2-OG 3.04Å
131	Y	80.5	Confident	92.5	Very high	76 Å²	76	31.2 Å²	31.2	30%	0.298	17%	0.166	S	C	.	.	S	Bend	trans	-89.5	136.1	172.4	-66.9	-98.2	0	0	0	110.9	D128 S129 M133 F134 Q666 T711	D128-Y131 HydrophobicContact CB-CD2 3.71Å; D128-Y131 HydrophobicContact CB-CE2 3.97Å; D128-Y131 PolarHBondContact O-N 3.36Å; D128-Y131 VanDerWaalsContact O-N 3.15Å; S129-Y131 PolarHBondContact O-N 3.46Å; Y131-M133 PolarHBondContact O-N 3.08Å; Y131-F134 PolarHBondContact O-N 2.91Å; Y131-Q666 HydrophobicContact CE1-CG 4.27Å; Y131-T711 HydrophobicContact CE1-CG2 4.42Å; Y131-T711 VanDerWaalsContact OH-CG2 3.23Å; Y131-T711 WeakPolarHBondContact OH-CG2 3.39Å
132	P	77.8	Confident	92.5	Very high	89 Å²	89	31.5 Å²	31.5	58%	0.578	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-30.6	-178.1	-27.9	33.9	0	0	0	114.7	F134	P132-F134 PolarHBondContact O-N 3.37Å
133	M	87.1	Confident	92.5	Very high	65 Å²	65	38.8 Å²	38.8	32%	0.32	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	47.5	-176.2	-64.4	-65.5	-88.7	0	0	112.1	Y131 N135 F136	Y131-M133 PolarHBondContact O-N 3.08Å; M133-N135 PolarHBondContact O-N 2.84Å; M133-F136 HydrophobicContact CB-CB 4.03Å; M133-F136 HydrophobicContact CE-CB 4.33Å; M133-F136 HydrophobicContact CE-CD1 4.13Å; M133-F136 HydrophobicContact CE-CD2 3.25Å; M133-F136 HydrophobicContact CE-CE1 4.19Å; M133-F136 HydrophobicContact CE-CE2 3.34Å; M133-F136 HydrophobicContact CE-CG 3.65Å; M133-F136 HydrophobicContact CE-CZ 3.8Å; M133-F136 VanDerWaalsContact O-CB 3.32Å; M133-F136 WeakPolarHBondContact O-CB 3.36Å; M133-F136 PolarHBondContact O-N 3.43Å; M133-F136 VanDerWaalsContact O-N 3.15Å; M133-F136 HydrophobicContact SD-CD2 4.25Å
134	F	91.8	Very high	92.5	Very high	44 Å²	44	40 Å²	40	19%	0.193	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	119.4	-178.8	174.9	-118.9	0	0	0	113.1	Y131 P132 F136 K139 L173 D175	Y131-F134 PolarHBondContact O-N 2.91Å; P132-F134 PolarHBondContact O-N 3.37Å; F134-F136 PolarHBondContact O-N 2.84Å; F134-K139 PolarHBondContact O-NZ 3.07Å; F134-L173 HydrophobicContact CE1-CB 4.5Å; F134-D175 HydrophobicContact CE2-CB 3.78Å; F134-D175 HydrophobicContact CZ-CB 3.72Å
135	N	94.3	Very high	92.4	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	27.1	179.5	-91.4	-55.9	0	0	0	114.6	T87 G125 L126 G127 M133 V137 A138 K139 L173 A174	T87-N135 WeakPolarHBondContact OG1-CA 3.41Å; G125-N135 WeakPolarHBondContact CA-OD1 3.48Å; G125-N135 PolarHBondContact O-OD1 2.84Å; L126-N135 PolarHBondContact N-OD1 2.83Å; L126-N135 VanDerWaalsContact N-OD1 3.11Å; L126-N135 PolarHBondContact O-OD1 3.06Å; G127-N135 PolarHBondContact N-OD1 2.85Å; M133-N135 PolarHBondContact O-N 2.84Å; N135-V137 VanDerWaalsContact C-N 3.27Å; N135-V137 PolarHBondContact O-N 2.76Å; N135-A138 PolarHBondContact O-N 2.81Å; N135-K139 WeakPolarHBondContact O-CG 3.41Å; N135-K139 PolarHBondContact O-N 2.8Å; N135-L173 HydrophobicContact CB-CD2 3.82Å; N135-A174 PolarHBondContact ND2-O 3.38Å
136	F	94.8	Very high	92.3	Very high	59 Å²	59	43.1 Å²	43.1	26%	0.259	22%	0.216	S	C	.	.	H	α-helix	trans	-56.6	-40.1	-173.9	175	-95.8	0	0	0	113.1	T87 G91 M133 F134 K140	T87-F136 HydrophobicContact CG2-CB 4.28Å; T87-F136 PolarHBondContact OG1-N 2.89Å; G91-F136 WeakPolarHBondContact O-CD1 3.47Å; G91-F136 WeakPolarHBondContact O-CE1 3.01Å; M133-F136 HydrophobicContact CB-CB 4.03Å; M133-F136 HydrophobicContact CE-CB 4.33Å; M133-F136 HydrophobicContact CE-CD1 4.13Å; M133-F136 HydrophobicContact CE-CD2 3.25Å; M133-F136 HydrophobicContact CE-CE1 4.19Å; M133-F136 HydrophobicContact CE-CE2 3.34Å; M133-F136 HydrophobicContact CE-CG 3.65Å; M133-F136 HydrophobicContact CE-CZ 3.8Å; M133-F136 VanDerWaalsContact O-CB 3.32Å; M133-F136 WeakPolarHBondContact O-CB 3.36Å; M133-F136 PolarHBondContact O-N 3.43Å; M133-F136 VanDerWaalsContact O-N 3.15Å; M133-F136 HydrophobicContact SD-CD2 4.25Å; F134-F136 PolarHBondContact O-N 2.84Å; F136-K140 HydrophobicContact CE1-CD 3.8Å; F136-K140 HydrophobicContact CE2-CD 4.36Å; F136-K140 HydrophobicContact CZ-CD 3.63Å; F136-K140 VanDerWaalsContact O-CB 3.26Å; F136-K140 WeakPolarHBondContact O-CB 3.45Å; F136-K140 PolarHBondContact O-N 2.66Å
137	V	96.3	Very high	92.4	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.4	-49.8	-177.9	176	0	0	0	0	110.4	C85 T87 P93 M97 W101 N135 K140 L141	C85-V137 HydrophobicContact CB-CG1 4.32Å; T87-V137 HydrophobicContact CG2-CG2 3.99Å; T87-V137 WeakPolarHBondContact OG1-CB 3.44Å; T87-V137 PolarHBondContact OG1-N 3.42Å; P93-V137 HydrophobicContact CB-CG1 4.37Å; P93-V137 HydrophobicContact CB-CG2 4.39Å; M97-V137 HydrophobicContact CE-CG1 3.52Å; M97-V137 HydrophobicContact SD-CG1 3.79Å; W101-V137 HydrophobicContact CE3-CG1 4.12Å; W101-V137 HydrophobicContact CH2-CB 4.35Å; W101-V137 HydrophobicContact CH2-CG1 4.09Å; W101-V137 HydrophobicContact CZ3-CB 4.31Å; W101-V137 HydrophobicContact CZ3-CG1 3.58Å; W101-V137 WeakPolarHBondContact CZ3-O 3.45Å; N135-V137 VanDerWaalsContact C-N 3.27Å; N135-V137 PolarHBondContact O-N 2.76Å; V137-K140 PolarHBondContact O-N 3.21Å; V137-L141 VanDerWaalsContact O-CB 3.29Å; V137-L141 WeakPolarHBondContact O-CB 3.34Å; V137-L141 PolarHBondContact O-N 2.85Å
138	A	97.1	Very high	92.6	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.6	-48.6	178.5	0	0	0	0	0	112.1	V123 N135 K140 L141 Y142 L171 L173	V123-A138 HydrophobicContact CG1-CB 3.93Å; N135-A138 PolarHBondContact O-N 2.81Å; A138-K140 VanDerWaalsContact C-N 3.33Å; A138-K140 PolarHBondContact O-N 3.02Å; A138-L141 PolarHBondContact O-N 3.07Å; A138-Y142 WeakPolarHBondContact O-CB 3.36Å; A138-Y142 PolarHBondContact O-N 2.84Å; A138-L171 HydrophobicContact CB-CD1 4.28Å; A138-L173 HydrophobicContact CB-CD2 4.47Å
139	K	96.3	Very high	93	Very high	54 Å²	54	47.4 Å²	47.4	24%	0.235	24%	0.237	C	C	.	.	H	α-helix	trans	-56.6	-45.7	178.1	-71.2	170.8	178.9	168.6	0	111.9	F134 N135 R143 L171 L173	F134-K139 PolarHBondContact O-NZ 3.07Å; N135-K139 WeakPolarHBondContact O-CG 3.41Å; N135-K139 PolarHBondContact O-N 2.8Å; K139-R143 WeakPolarHBondContact O-CG 3.26Å; K139-R143 PolarHBondContact O-N 2.88Å; K139-R143 VanDerWaalsContact O-N 3.17Å; K139-L171 HydrophobicContact CG-CD2 4.36Å; K139-L173 VanDerWaalsContact CE-CD1 3.45Å; K139-L173 HydrophobicContact CG-CD1 4.28Å; K139-L173 HydrophobicContact CG-CD2 3.94Å
140	K	96.5	Very high	93.2	Very high	88 Å²	88	45 Å²	45	38%	0.383	22%	0.221	S	C	.	.	H	α-helix	trans	-74.4	-36.8	-178.2	-174.6	171.7	179.3	176.2	0	112.1	W101 M105 F136 V137 A138 R144	W101-K140 HydrophobicContact CH2-CB 3.91Å; W101-K140 HydrophobicContact CH2-CD 3.97Å; W101-K140 HydrophobicContact CH2-CG 4.03Å; W101-K140 HydrophobicContact CZ2-CD 3.84Å; W101-K140 HydrophobicContact CZ2-CG 4.35Å; M105-K140 HydrophobicContact CE-CB 4.49Å; M105-K140 HydrophobicContact CE-CG 3.87Å; M105-K140 HydrophobicContact SD-CG 4.26Å; F136-K140 HydrophobicContact CE1-CD 3.8Å; F136-K140 HydrophobicContact CE2-CD 4.36Å; F136-K140 HydrophobicContact CZ-CD 3.63Å; F136-K140 VanDerWaalsContact O-CB 3.26Å; F136-K140 WeakPolarHBondContact O-CB 3.45Å; F136-K140 PolarHBondContact O-N 2.66Å; V137-K140 PolarHBondContact O-N 3.21Å; A138-K140 VanDerWaalsContact C-N 3.33Å; A138-K140 PolarHBondContact O-N 3.02Å; K140-R144 WeakPolarHBondContact O-CB 3.22Å; K140-R144 PolarHBondContact O-N 3.17Å
141	L	97.5	Very high	93.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.2	-49	172.7	-179.9	58.3	0	0	0	111.3	M65 F83 F100 W101 I104 M105 V137 A138 R143 R144 L145	M65-L141 HydrophobicContact CE-CD2 4.13Å; M65-L141 HydrophobicContact SD-CD2 4.44Å; F83-L141 HydrophobicContact CB-CD2 4.04Å; F83-L141 HydrophobicContact CD1-CD2 3.86Å; F83-L141 HydrophobicContact CG-CD2 4.03Å; F100-L141 HydrophobicContact CE1-CD1 4.11Å; W101-L141 HydrophobicContact CZ3-CB 4.16Å; I104-L141 HydrophobicContact CG2-CD1 4.17Å; M105-L141 HydrophobicContact CE-CB 4.49Å; V137-L141 VanDerWaalsContact O-CB 3.29Å; V137-L141 WeakPolarHBondContact O-CB 3.34Å; V137-L141 PolarHBondContact O-N 2.85Å; A138-L141 PolarHBondContact O-N 3.07Å; L141-R143 PolarHBondContact O-N 2.82Å; L141-R144 PolarHBondContact O-N 3.15Å; L141-R144 VanDerWaalsContact O-N 3.12Å; L141-L145 HydrophobicContact CD1-CD1 4.11Å; L141-L145 HydrophobicContact CD1-CG 4.15Å; L141-L145 HydrophobicContact CG-CD1 3.99Å; L141-L145 HydrophobicContact CG-CG 4.46Å; L141-L145 WeakPolarHBondContact O-CG 3.46Å; L141-L145 PolarHBondContact O-N 3.39Å
142	Y	97	Very high	94.4	Very high	8 Å²	8	41.1 Å²	41.1	3%	0.031	20%	0.203	C	C	.	.	H	α-helix	trans	-54.2	-54.4	177	179.7	-96.1	0	0	0	111.9	F121 V123 A138 R144 L145 L146 P152 N168 S170 L171	F121-Y142 AromaticContact CE2-CD2 3.54Å; F121-Y142 HydrophobicContact CE2-CD2 3.54Å; F121-Y142 AromaticContact CE2-CE2 3.82Å; F121-Y142 HydrophobicContact CE2-CE2 3.82Å; F121-Y142 HydrophobicContact CE2-CG 4.4Å; F121-Y142 HydrophobicContact CZ-CD2 4.06Å; F121-Y142 HydrophobicContact CZ-CE2 4.02Å; V123-Y142 HydrophobicContact CB-CD2 4.33Å; V123-Y142 HydrophobicContact CG2-CD2 3.99Å; A138-Y142 WeakPolarHBondContact O-CB 3.36Å; A138-Y142 PolarHBondContact O-N 2.84Å; Y142-R144 VanDerWaalsContact C-N 3.26Å; Y142-R144 PolarHBondContact O-N 2.99Å; Y142-L145 PolarHBondContact O-N 2.93Å; Y142-L146 HydrophobicContact CD1-CD1 3.88Å; Y142-L146 HydrophobicContact CE1-CD1 3.37Å; Y142-L146 HydrophobicContact CE1-CG 4.21Å; Y142-L146 PolarHBondContact O-N 3.12Å; Y142-L146 VanDerWaalsContact O-N 3.09Å; Y142-P152 HydrophobicContact CE2-CB 4.08Å; Y142-N168 HydrophobicContact CE1-CB 4.46Å; Y142-N168 WeakPolarHBondContact CE1-OD1 3.4Å; Y142-N168 PolarHBondContact OH-OD1 2.84Å; Y142-S170 VanDerWaalsContact CE2-OG 3.24Å; Y142-S170 WeakPolarHBondContact CE2-OG 3.47Å; Y142-S170 PolarHBondContact OH-OG 3.13Å; Y142-L171 HydrophobicContact CD1-CB 4.46Å; Y142-L171 HydrophobicContact CD1-CD2 4Å; Y142-L171 HydrophobicContact CD2-CB 3.88Å; Y142-L171 HydrophobicContact CD2-CD1 4.37Å; Y142-L171 HydrophobicContact CD2-CG 4.5Å; Y142-L171 HydrophobicContact CE2-CB 4.07Å; Y142-L171 HydrophobicContact CG-CB 4.13Å; Y142-L171 HydrophobicContact CG-CD1 4.24Å; Y142-L171 HydrophobicContact CG-CD2 4Å; Y142-L171 HydrophobicContact CG-CG 4.35Å
143	R	95.8	Very high	94.9	Very high	155 Å²	155	37.2 Å²	37.2	59%	0.585	18%	0.177	S	C	*	.	H	α-helix	trans	-58.2	-38.6	177	-69.3	174	-168.2	153.6	1.8	112.2	K139 L141 Q147	K139-R143 WeakPolarHBondContact O-CG 3.26Å; K139-R143 PolarHBondContact O-N 2.88Å; K139-R143 VanDerWaalsContact O-N 3.17Å; L141-R143 PolarHBondContact O-N 2.82Å; R143-Q147 WeakPolarHBondContact O-CB 3.46Å; R143-Q147 VanDerWaalsContact O-CG 3.29Å; R143-Q147 WeakPolarHBondContact O-CG 3.47Å; R143-Q147 PolarHBondContact O-N 3.1Å
144	R	97.1	Very high	93.9	Very high	25 Å²	25	39 Å²	39	9%	0.094	19%	0.194	C	C	.	.	H	α-helix	trans	-67.5	-41.7	179	-173.9	59.5	174.2	164.4	2.7	111.6	I104 M105 N106 L109 K140 L141 Y142 Q147 L148	I104-R144 PolarHBondContact O-NE 3.41Å; I104-R144 VanDerWaalsContact O-NE 3.11Å; M105-R144 HydrophobicContact CE-CB 3.83Å; M105-R144 HydrophobicContact CE-CG 4.18Å; M105-R144 HydrophobicContact SD-CB 3.89Å; M105-R144 HydrophobicContact SD-CG 3.73Å; N106-R144 PolarHBondContact O-NH2 2.9Å; L109-R144 PolarHBondContact O-NH2 2.83Å; K140-R144 WeakPolarHBondContact O-CB 3.22Å; K140-R144 PolarHBondContact O-N 3.17Å; L141-R144 PolarHBondContact O-N 3.15Å; L141-R144 VanDerWaalsContact O-N 3.12Å; Y142-R144 VanDerWaalsContact C-N 3.26Å; Y142-R144 PolarHBondContact O-N 2.99Å; R144-Q147 PolarHBondContact O-N 2.97Å; R144-L148 HydrophobicContact CG-CD1 4.1Å; R144-L148 HydrophobicContact CG-CG 4.38Å; R144-L148 VanDerWaalsContact O-CG 3.24Å; R144-L148 WeakPolarHBondContact O-CG 3.32Å; R144-L148 PolarHBondContact O-N 3.22Å
145	L	96.3	Very high	92	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-62.6	-44.5	177.9	-70	168.3	0	0	0	111.4	F83 L115 F121 V123 L141 Y142 L148 G149 A150	F83-L145 HydrophobicContact CD2-CD1 3.84Å; F83-L145 HydrophobicContact CE2-CD1 3.53Å; F83-L145 HydrophobicContact CE2-CD2 4.46Å; F83-L145 HydrophobicContact CZ-CD1 3.97Å; F83-L145 HydrophobicContact CZ-CD2 4.26Å; L115-L145 HydrophobicContact CD1-CD2 3.72Å; F121-L145 HydrophobicContact CD1-CB 4.34Å; F121-L145 HydrophobicContact CD2-CB 4.26Å; F121-L145 HydrophobicContact CD2-CD1 3.55Å; F121-L145 HydrophobicContact CE1-CB 3.9Å; F121-L145 HydrophobicContact CE2-CB 3.8Å; F121-L145 HydrophobicContact CE2-CD1 3.7Å; F121-L145 HydrophobicContact CE2-CG 4.41Å; F121-L145 HydrophobicContact CG-CD1 4.11Å; F121-L145 HydrophobicContact CZ-CB 3.62Å; F121-L145 HydrophobicContact CZ-CD1 4.38Å; V123-L145 HydrophobicContact CG2-CD1 4.23Å; L141-L145 HydrophobicContact CD1-CD1 4.11Å; L141-L145 HydrophobicContact CD1-CG 4.15Å; L141-L145 HydrophobicContact CG-CD1 3.99Å; L141-L145 HydrophobicContact CG-CG 4.46Å; L141-L145 WeakPolarHBondContact O-CG 3.46Å; L141-L145 PolarHBondContact O-N 3.39Å; Y142-L145 PolarHBondContact O-N 2.93Å; L145-L148 PolarHBondContact O-N 3.06Å; L145-G149 PolarHBondContact O-N 3.19Å; L145-A150 HydrophobicContact CB-CB 4.42Å; L145-A150 PolarHBondContact O-N 3.29Å; L145-A150 VanDerWaalsContact O-N 3.13Å
146	L	94.5	Very high	89.6	Confident	66 Å²	66	47 Å²	47	35%	0.346	23%	0.234	S	C	.	.	H	α-helix	trans	-56.7	-51	171.9	-67.1	177.5	0	0	0	111.8	F121 Y142 L148 G149 P152	F121-L146 HydrophobicContact CE1-CD2 4.1Å; F121-L146 HydrophobicContact CZ-CD2 3.87Å; F121-L146 HydrophobicContact CZ-CG 4.07Å; Y142-L146 HydrophobicContact CD1-CD1 3.88Å; Y142-L146 HydrophobicContact CE1-CD1 3.37Å; Y142-L146 HydrophobicContact CE1-CG 4.21Å; Y142-L146 PolarHBondContact O-N 3.12Å; Y142-L146 VanDerWaalsContact O-N 3.09Å; L146-L148 PolarHBondContact O-N 2.89Å; L146-G149 PolarHBondContact O-N 3.05Å; L146-G149 VanDerWaalsContact O-N 3.08Å; L146-P152 HydrophobicContact CD2-CB 4.28Å; L146-P152 HydrophobicContact CD2-CG 3.75Å
147	Q	96.1	Very high	87	Confident	109 Å²	109	48.2 Å²	48.2	51%	0.509	24%	0.242	S	C	.	.	H	α-helix	trans	-57.9	-35	178.4	-78.4	178.1	-0.8	0	0	112.6	P111 G112 R143 R144 G149	P111-Q147 CarbonylContact C-O 3.51Å; P111-Q147 WeakPolarHBondContact CA-O 3.19Å; P111-Q147 VanDerWaalsContact CB-O 3.31Å; P111-Q147 WeakPolarHBondContact CB-O 3.19Å; G112-Q147 PolarHBondContact N-O 3.26Å; R143-Q147 WeakPolarHBondContact O-CB 3.46Å; R143-Q147 VanDerWaalsContact O-CG 3.29Å; R143-Q147 WeakPolarHBondContact O-CG 3.47Å; R143-Q147 PolarHBondContact O-N 3.1Å; R144-Q147 PolarHBondContact O-N 2.97Å; Q147-G149 VanDerWaalsContact C-N 3.3Å
148	L	97.3	Very high	84.2	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-79	-11.6	-178.7	-68.7	178.5	0	0	0	113.7	I104 L109 R113 S114 L115 R144 L145 L146	I104-L148 HydrophobicContact CD1-CD1 3.68Å; I104-L148 HydrophobicContact CG1-CD1 4.06Å; L109-L148 HydrophobicContact CB-CD2 3.66Å; L109-L148 HydrophobicContact CD1-CD1 4.14Å; R113-L148 PolarHBondContact N-O 3.19Å; S114-L148 PolarHBondContact N-O 3.02Å; L115-L148 HydrophobicContact CB-CB 4.32Å; L115-L148 HydrophobicContact CD1-CB 3.82Å; L115-L148 HydrophobicContact CD1-CD1 4.17Å; L115-L148 HydrophobicContact CG-CB 3.93Å; L115-L148 PolarHBondContact N-O 3.09Å; R144-L148 HydrophobicContact CG-CD1 4.1Å; R144-L148 HydrophobicContact CG-CG 4.38Å; R144-L148 VanDerWaalsContact O-CG 3.24Å; R144-L148 WeakPolarHBondContact O-CG 3.32Å; R144-L148 PolarHBondContact O-N 3.22Å; L145-L148 PolarHBondContact O-N 3.06Å; L146-L148 PolarHBondContact O-N 2.89Å
149	G	95.4	Very high	81.3	Confident	18 Å²	18	63.3 Å²	63.3	19%	0.186	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	112.7	1.9	174.1	0	0	0	0	0	115.6	P117 L145 L146 Q147	P117-G149 WeakPolarHBondContact CA-O 3.3Å; L145-G149 PolarHBondContact O-N 3.19Å; L146-G149 PolarHBondContact O-N 3.05Å; L146-G149 VanDerWaalsContact O-N 3.08Å; Q147-G149 VanDerWaalsContact C-N 3.3Å
150	A	95.1	Very high	78.6	Confident	6 Å²	6	68.7 Å²	68.7	5%	0.05	34%	0.335	C	S	.	.			trans	-74.7	154.3	177.2	0	0	0	0	0	111.5	L115 L119 F121 L145	L115-A150 HydrophobicContact CB-CB 4.19Å; L115-A150 HydrophobicContact CD1-CB 3.99Å; L119-A150 HydrophobicContact CB-CB 4.39Å; L119-A150 HydrophobicContact CD2-CB 4.11Å; L119-A150 HydrophobicContact CG-CB 4.34Å; F121-A150 HydrophobicContact CD1-CB 3.6Å; F121-A150 HydrophobicContact CE1-CB 3.76Å; L145-A150 HydrophobicContact CB-CB 4.42Å; L145-A150 PolarHBondContact O-N 3.29Å; L145-A150 VanDerWaalsContact O-N 3.13Å
151	T	93.9	Very high	75.8	Confident	47 Å²	47	73.3 Å²	73.3	29%	0.288	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	124.8	-175.8	-62.4	0	0	0	0	110.5	P117 L119 H120 F121	P117-T151 WeakPolarHBondContact O-CB 3.29Å; P117-T151 PolarHBondContact O-OG1 3.45Å; L119-T151 PolarHBondContact O-N 2.56Å; H120-T151 CarbonylContact C-O 3.49Å; H120-T151 VanDerWaalsContact CA-O 3.23Å; H120-T151 WeakPolarHBondContact CA-O 3.14Å; F121-T151 WeakPolarHBondContact CD1-O 3.49Å; F121-T151 VanDerWaalsContact CE1-C 3.5Å; F121-T151 PolarHBondContact N-O 3.45Å
152	P	93.5	Very high	72.9	Confident	29 Å²	29	80.5 Å²	80.5	19%	0.188	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	142.6	174.9	30.3	-31.7	0	0	0	109.1	F121 Y142 L146 C154 S170	F121-P152 HydrophobicContact CE1-CB 4.26Å; F121-P152 HydrophobicContact CZ-CB 4.19Å; F121-P152 CarbonylContact O-C 3.07Å; F121-P152 WeakPolarHBondContact O-CA 3.28Å; Y142-P152 HydrophobicContact CE2-CB 4.08Å; L146-P152 HydrophobicContact CD2-CB 4.28Å; L146-P152 HydrophobicContact CD2-CG 3.75Å; P152-C154 PolarHBondContact O-N 3.41Å; P152-S170 WeakPolarHBondContact CB-OG 3.4Å
153	L	89.4	Confident	70.1	Confident	7 Å²	7	84.2 Å²	84.2	4%	0.037	42%	0.423	C	S	.	.			trans	-61.5	104.1	170.3	-84.8	173	0	0	0	108.9	V80 H120 F121 T155 S170 L193 V197 L200	V80-L153 HydrophobicContact CB-CD1 4.46Å; V80-L153 HydrophobicContact CG2-CD1 3.38Å; V80-L153 HydrophobicContact CG2-CG 4.15Å; H120-L153 HydrophobicContact CB-CD2 4.04Å; H120-L153 HydrophobicContact CB-CG 4.24Å; F121-L153 PolarHBondContact O-N 2.76Å; L153-T155 PolarHBondContact O-N 3.39Å; L153-T155 VanDerWaalsContact O-N 3.09Å; L153-S170 WeakPolarHBondContact O-CB 3.5Å; L153-L193 HydrophobicContact CD1-CD1 4.13Å; L153-V197 HydrophobicContact CD1-CG2 3.88Å; L153-L200 HydrophobicContact CD2-CD2 3.94Å
154	C	65.2	Low	67.2	Low	102 Å²	102	86.5 Å²	86.5	69%	0.689	44%	0.441	S	S	*	.			trans	-58.2	113.2	177.2	-92.6	0	0	0	0	110.4	P152 N196	P152-C154 PolarHBondContact O-N 3.41Å; C154-N196 VanDerWaalsContact O-CG 3.31Å; C154-N196 PolarHBondContact O-OD1 2.78Å
155	T	53	Low	64.5	Low	21 Å²	21	94.3 Å²	94.3	13%	0.129	48%	0.478	C	S	.	.			trans	-109	89.6	174.5	38.6	0	0	0	0	107.6	L153 I157 L169 S170 A192 N196	L153-T155 PolarHBondContact O-N 3.39Å; L153-T155 VanDerWaalsContact O-N 3.09Å; T155-I157 PolarHBondContact O-N 3.38Å; T155-L169 WeakPolarHBondContact OG1-CB 2.97Å; T155-S170 PolarHBondContact OG1-N 2.96Å; T155-A192 HydrophobicContact CG2-CB 4.03Å; T155-N196 WeakPolarHBondContact CG2-ND2 3.45Å
156	E	43.3	Very low	61.7	Low	191 Å²	191	97.1 Å²	97.1	89%	0.893	50%	0.498	S	S	*	.			trans	-71.2	108.2	167.4	-69.2	-177.8	-178.7	0	0	108.6
157	I	41.2	Very low	59.5	Low	85 Å²	85	102.3 Å²	102.3	44%	0.436	52%	0.52	S	S	.	.			trans	-125	133.4	163.8	-60.3	-172.2	0	0	0	108.2	T155 L169 A192	T155-I157 PolarHBondContact O-N 3.38Å; I157-L169 HydrophobicContact CB-CD1 4.35Å; I157-L169 HydrophobicContact CB-CD2 4.22Å; I157-L169 HydrophobicContact CD1-CD2 3.85Å; I157-L169 HydrophobicContact CG1-CD2 4.17Å; I157-A192 HydrophobicContact CD1-CB 3.84Å
158	R	37.5	Very low	57.7	Low	234 Å²	234	100.8 Å²	100.8	88%	0.883	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-60.9	121.8	175.7	-66.9	-175.7	-177.2	-171.2	0.8	108.5	H160	R158-H160 PolarHBondContact O-N 2.9Å
159	P	36.3	Very low	56.1	Low	83 Å²	83	103.4 Å²	103.4	54%	0.539	53%	0.529	S	S	.	.	P	Polyproline II helix	trans	-60	136.7	179.3	17.5	-24.1	0	0	0	110.3	S166	P159-S166 WeakPolarHBondContact CB-OG 3.44Å
160	H	39.5	Very low	55.1	Low	166 Å²	166	102.8 Å²	102.8	77%	0.769	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-61	139.2	151.1	-134.3	-58.7	0	0	0	106.8	R158 D162	R158-H160 PolarHBondContact O-N 2.9Å; H160-D162 PolarHBondContact O-N 3.34Å
161	Q	36.2	Very low	55	Low	186 Å²	186	103.8 Å²	103.8	87%	0.869	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	3.1	-161	-87.6	177.1	-25.9	0	0	118.3
162	D	38.1	Very low	55	Low	150 Å²	150	101.7 Å²	101.7	80%	0.802	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.4	13.9	-172.1	-59.4	-51.1	0	0	0	115.3	H160	H160-D162 PolarHBondContact O-N 3.34Å
163	C	37	Very low	55.1	Low	87 Å²	87	102.6 Å²	102.6	59%	0.588	52%	0.517	S	S	*	.			trans	-106.1	97.9	175.2	-58.4	0	0	0	0	111.6	E165	C163-E165 PolarHBondContact O-N 3.07Å
164	E	35.9	Very low	55.3	Low	203 Å²	203	102.2 Å²	102.2	95%	0.949	52%	0.515	S	S	*	.	S	Bend	trans	-67.5	-5.8	176.1	-73.3	-168.5	154.7	0	0	114.2
165	E	40.1	Very low	56.5	Low	189 Å²	189	98.6 Å²	98.6	88%	0.883	49%	0.489	S	S	*	.			trans	-104.2	59.4	175.9	-65.6	-168.3	167.7	0	0	112.5	C163 E167	C163-E165 PolarHBondContact O-N 3.07Å; E165-E167 VanDerWaalsContact C-N 3.28Å; E165-E167 PolarHBondContact O-N 2.93Å
166	S	38	Very low	58.1	Low	60 Å²	60	102 Å²	102	42%	0.42	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	4.1	179.7	-84.6	0	0	0	0	116.1	P159	P159-S166 WeakPolarHBondContact CB-OG 3.44Å
167	E	47.5	Very low	60	Low	175 Å²	175	97.7 Å²	97.7	82%	0.818	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-10.2	-163.4	-76.3	-165.4	160.9	0	0	117.7	E165	E165-E167 VanDerWaalsContact C-N 3.28Å; E165-E167 PolarHBondContact O-N 2.93Å
168	N	58.2	Low	62.1	Low	76 Å²	76	94.7 Å²	94.7	41%	0.406	47%	0.47	S	S	.	.			trans	-145.6	56.3	-172.2	-69.1	-72	0	0	0	115.8	Y142 S170 L171	Y142-N168 HydrophobicContact CE1-CB 4.46Å; Y142-N168 WeakPolarHBondContact CE1-OD1 3.4Å; Y142-N168 PolarHBondContact OH-OD1 2.84Å; N168-S170 PolarHBondContact O-N 2.81Å; N168-S170 VanDerWaalsContact O-N 3.13Å; N168-L171 HydrophobicContact CB-CB 4.4Å; N168-L171 WeakPolarHBondContact O-CB 3.43Å; N168-L171 PolarHBondContact O-N 3.15Å
169	L	64	Low	64.1	Low	56 Å²	56	89.9 Å²	89.9	29%	0.293	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-18.6	174.9	-88.4	118.7	0	0	0	114.6	T155 I157 L171 W189	T155-L169 WeakPolarHBondContact OG1-CB 2.97Å; I157-L169 HydrophobicContact CB-CD1 4.35Å; I157-L169 HydrophobicContact CB-CD2 4.22Å; I157-L169 HydrophobicContact CD1-CD2 3.85Å; I157-L169 HydrophobicContact CG1-CD2 4.17Å; L169-L171 PolarHBondContact O-N 2.85Å; L169-W189 VanDerWaalsContact O-CD1 3.23Å; L169-W189 PolarHBondContact O-NE1 3.39Å
170	S	75.2	Confident	66.3	Low	5 Å²	5	87.2 Å²	87.2	4%	0.035	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-12.1	170.9	59	0	0	0	0	113.4	S122 V123 Y142 P152 L153 T155 N168	S122-S170 PolarHBondContact OG-O 3.04Å; S122-S170 VanDerWaalsContact OG-O 3.07Å; V123-S170 PolarHBondContact N-O 2.94Å; Y142-S170 VanDerWaalsContact CE2-OG 3.24Å; Y142-S170 WeakPolarHBondContact CE2-OG 3.47Å; Y142-S170 PolarHBondContact OH-OG 3.13Å; P152-S170 WeakPolarHBondContact CB-OG 3.4Å; L153-S170 WeakPolarHBondContact O-CB 3.5Å; T155-S170 PolarHBondContact OG1-N 2.96Å; N168-S170 PolarHBondContact O-N 2.81Å; N168-S170 VanDerWaalsContact O-N 3.13Å
171	L	92.6	Very high	68.5	Low	27 Å²	27	80.1 Å²	80.1	14%	0.141	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	96.3	170.6	178.2	59.1	0	0	0	109.1	V123 A138 K139 Y142 N168 L169 L173	V123-L171 HydrophobicContact CB-CD1 3.87Å; V123-L171 HydrophobicContact CG1-CD1 3.87Å; V123-L171 CarbonylContact O-C 3.51Å; V123-L171 VanDerWaalsContact O-CA 3.29Å; V123-L171 WeakPolarHBondContact O-CA 3.5Å; A138-L171 HydrophobicContact CB-CD1 4.28Å; K139-L171 HydrophobicContact CG-CD2 4.36Å; Y142-L171 HydrophobicContact CD1-CB 4.46Å; Y142-L171 HydrophobicContact CD1-CD2 4Å; Y142-L171 HydrophobicContact CD2-CB 3.88Å; Y142-L171 HydrophobicContact CD2-CD1 4.37Å; Y142-L171 HydrophobicContact CD2-CG 4.5Å; Y142-L171 HydrophobicContact CE2-CB 4.07Å; Y142-L171 HydrophobicContact CG-CB 4.13Å; Y142-L171 HydrophobicContact CG-CD1 4.24Å; Y142-L171 HydrophobicContact CG-CD2 4Å; Y142-L171 HydrophobicContact CG-CG 4.35Å; N168-L171 HydrophobicContact CB-CB 4.4Å; N168-L171 WeakPolarHBondContact O-CB 3.43Å; N168-L171 PolarHBondContact O-N 3.15Å; L169-L171 PolarHBondContact O-N 2.85Å; L171-L173 HydrophobicContact CD1-CD2 3.7Å; L171-L173 HydrophobicContact CD1-CG 4.49Å; L171-L173 HydrophobicContact CD2-CD1 4.44Å; L171-L173 HydrophobicContact CD2-CD2 4.05Å; L171-L173 HydrophobicContact CD2-CG 4.39Å; L171-L173 HydrophobicContact CG-CD2 3.67Å; L171-L173 HydrophobicContact CG-CG 3.97Å
172	G	93.8	Very high	70.9	Confident	3 Å²	3	73.5 Å²	73.5	3%	0.031	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	125.5	171	0	0	0	0	0	109.8	V123 L124 G125 W189	V123-G172 PolarHBondContact O-N 2.82Å; L124-G172 CarbonylContact C-O 3.48Å; L124-G172 WeakPolarHBondContact CA-O 3.5Å; G125-G172 PolarHBondContact N-O 3.29Å; G172-W189 VanDerWaalsContact CA-CD1 3.4Å
173	L	94.6	Very high	73.2	Confident	48 Å²	48	66.6 Å²	66.6	25%	0.251	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	74.1	-180	-61.4	-178.6	0	0	0	110.5	F134 N135 A138 K139 L171 D175	F134-L173 HydrophobicContact CE1-CB 4.5Å; N135-L173 HydrophobicContact CB-CD2 3.82Å; A138-L173 HydrophobicContact CB-CD2 4.47Å; K139-L173 VanDerWaalsContact CE-CD1 3.45Å; K139-L173 HydrophobicContact CG-CD1 4.28Å; K139-L173 HydrophobicContact CG-CD2 3.94Å; L171-L173 HydrophobicContact CD1-CD2 3.7Å; L171-L173 HydrophobicContact CD1-CG 4.49Å; L171-L173 HydrophobicContact CD2-CD1 4.44Å; L171-L173 HydrophobicContact CD2-CD2 4.05Å; L171-L173 HydrophobicContact CD2-CG 4.39Å; L171-L173 HydrophobicContact CG-CD2 3.67Å; L171-L173 HydrophobicContact CG-CG 3.97Å; L173-D175 PolarHBondContact O-N 3.43Å
174	A	93.4	Very high	75.6	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	134.8	-178.7	0	0	0	0	0	111.1	G125 G127 N135 I182 V185	G125-A174 WeakPolarHBondContact O-CB 3.45Å; G125-A174 PolarHBondContact O-N 2.92Å; G127-A174 PolarHBondContact N-O 3.39Å; N135-A174 PolarHBondContact ND2-O 3.38Å; A174-I182 HydrophobicContact CB-CB 3.89Å; A174-I182 HydrophobicContact CB-CG2 3.97Å; A174-V185 HydrophobicContact CB-CB 4.31Å
175	D	91.5	Very high	78.2	Confident	25 Å²	25	58.4 Å²	58.4	13%	0.134	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	121.6	-178.3	-169	3.7	0	0	0	111.1	G127 D128 S129 F134 L173 Q177 S178 G181 I182	G127-D175 CarbonylContact O-C 3.54Å; G127-D175 WeakPolarHBondContact O-CA 3.49Å; D128-D175 WeakPolarHBondContact CA-OD1 3.16Å; S129-D175 WeakPolarHBondContact CB-OD2 3.49Å; S129-D175 PolarHBondContact N-OD1 3.49Å; S129-D175 PolarHBondContact OG-OD1 3.26Å; S129-D175 PolarHBondContact OG-OD2 3.15Å; F134-D175 HydrophobicContact CE2-CB 3.78Å; F134-D175 HydrophobicContact CZ-CB 3.72Å; L173-D175 PolarHBondContact O-N 3.43Å; D175-Q177 PolarHBondContact O-N 3.39Å; D175-Q177 PolarHBondContact OD1-N 2.88Å; D175-S178 PolarHBondContact O-N 3.49Å; D175-G181 CarbonylContact O-C 3.58Å; D175-I182 PolarHBondContact O-N 3.48Å
176	E	85.3	Confident	80.6	Confident	93 Å²	93	49.6 Å²	49.6	44%	0.435	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-21	172.9	-68.2	-178.2	179.3	0	0	112.6	G127 D128 I182	G127-E176 PolarHBondContact O-N 2.8Å; D128-E176 HydrophobicContact CB-CB 4.19Å; E176-I182 HydrophobicContact CG-CG2 3.93Å
177	Q	84.5	Confident	83	Confident	101 Å²	101	50 Å²	50	47%	0.472	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-3.2	178.5	-62.1	-65.2	-43.5	0	0	114.3	D128 S129 D175	D128-Q177 WeakPolarHBondContact OD1-CG 3.49Å; D128-Q177 PolarHBondContact OD1-NE2 3.06Å; D128-Q177 PolarHBondContact OD2-NE2 2.93Å; S129-Q177 WeakPolarHBondContact OG-CB 3.36Å; D175-Q177 PolarHBondContact O-N 3.39Å; D175-Q177 PolarHBondContact OD1-N 2.88Å
178	S	84.7	Confident	84.9	Confident	22 Å²	22	47.4 Å²	47.4	15%	0.154	23%	0.234	C	C	.	.	S	Bend	trans	-59.7	147	173	169.6	0	0	0	0	110.1	D175 L180 G181 E184	D175-S178 PolarHBondContact O-N 3.49Å; S178-L180 PolarHBondContact O-N 3.37Å; S178-L180 PolarHBondContact OG-N 3.48Å; S178-L180 VanDerWaalsContact OG-N 3.1Å; S178-G181 WeakPolarHBondContact O-CA 3.3Å; S178-G181 PolarHBondContact O-N 3.15Å; S178-E184 VanDerWaalsContact CB-OE2 3.26Å; S178-E184 WeakPolarHBondContact CB-OE2 3.14Å; S178-E184 PolarHBondContact OG-OE2 3.2Å
179	E	79.8	Confident	86.6	Confident	133 Å²	133	44.4 Å²	44.4	62%	0.621	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-34.2	171	-175	176.9	-171.6	0	0	111.3	S437 I440	E179-S437 WeakPolarHBondContact OE1-CB 3.09Å; E179-S437 PolarHBondContact OE1-OG 2.97Å; E179-I440 WeakPolarHBondContact O-CG2 3.21Å
180	L	83.2	Confident	88	Confident	27 Å²	27	41.8 Å²	41.8	14%	0.141	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	10.6	175.8	-46.6	-176.3	0	0	0	113.6	S178 E184 E435 I440	S178-L180 PolarHBondContact O-N 3.37Å; S178-L180 PolarHBondContact OG-N 3.48Å; S178-L180 VanDerWaalsContact OG-N 3.1Å; L180-E184 HydrophobicContact CB-CB 3.99Å; L180-E184 HydrophobicContact CB-CG 4.45Å; L180-E184 HydrophobicContact CD1-CG 4.48Å; L180-E435 WeakPolarHBondContact CD2-O 3.08Å; L180-I440 HydrophobicContact CB-CD1 3.95Å; L180-I440 HydrophobicContact CD2-CD1 4.03Å
181	G	84.5	Confident	88.8	Confident	17 Å²	17	42.6 Å²	42.6	18%	0.175	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	-153.4	-172.1	0	0	0	0	0	113	D175 S178 N183 E184	D175-G181 CarbonylContact O-C 3.58Å; S178-G181 WeakPolarHBondContact O-CA 3.3Å; S178-G181 PolarHBondContact O-N 3.15Å; G181-N183 PolarHBondContact O-N 3.05Å; G181-N183 VanDerWaalsContact O-N 3.11Å; G181-E184 WeakPolarHBondContact O-CB 3.36Å; G181-E184 PolarHBondContact O-N 2.92Å
182	I	86.4	Confident	88.8	Confident	47 Å²	47	41.8 Å²	41.8	24%	0.241	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.6	-179.6	62.1	172.9	0	0	0	113.1	A174 D175 E176 E184 V185 L186	A174-I182 HydrophobicContact CB-CB 3.89Å; A174-I182 HydrophobicContact CB-CG2 3.97Å; D175-I182 PolarHBondContact O-N 3.48Å; E176-I182 HydrophobicContact CG-CG2 3.93Å; I182-E184 PolarHBondContact O-N 2.95Å; I182-V185 PolarHBondContact O-N 2.98Å; I182-L186 HydrophobicContact CD1-CD1 4.09Å; I182-L186 HydrophobicContact CG1-CD1 4.16Å; I182-L186 WeakPolarHBondContact O-CG 3.43Å; I182-L186 PolarHBondContact O-N 3.32Å
183	N	86.7	Confident	88.8	Confident	5 Å²	5	41.8 Å²	41.8	3%	0.027	20%	0.204	C	C	.	.	H	α-helix	trans	-64.9	-24.5	-178.7	-73.3	-19.6	0	0	0	112.9	G181 V185 L186 R187 W215 Q390	G181-N183 PolarHBondContact O-N 3.05Å; G181-N183 VanDerWaalsContact O-N 3.11Å; N183-V185 PolarHBondContact O-N 3.12Å; N183-L186 PolarHBondContact O-N 3.14Å; N183-R187 WeakPolarHBondContact O-CB 3.41Å; N183-R187 VanDerWaalsContact O-CG 3.31Å; N183-R187 WeakPolarHBondContact O-CG 3.33Å; N183-R187 PolarHBondContact O-N 2.87Å; N183-W215 HydrophobicContact CB-CZ2 4.42Å; N183-Q390 VanDerWaalsContact ND2-CD 3.35Å; N183-Q390 PolarHBondContact ND2-NE2 2.97Å; N183-Q390 PolarHBondContact ND2-OE1 3.44Å
184	E	86.8	Confident	88.8	Confident	83 Å²	83	39.5 Å²	39.5	39%	0.388	19%	0.193	S	C	.	.	H	α-helix	trans	-49.8	-43.9	175.4	-166.6	-179.8	-170	0	0	111.3	S178 L180 G181 I182 R187 Y188	S178-E184 VanDerWaalsContact CB-OE2 3.26Å; S178-E184 WeakPolarHBondContact CB-OE2 3.14Å; S178-E184 PolarHBondContact OG-OE2 3.2Å; L180-E184 HydrophobicContact CB-CB 3.99Å; L180-E184 HydrophobicContact CB-CG 4.45Å; L180-E184 HydrophobicContact CD1-CG 4.48Å; G181-E184 WeakPolarHBondContact O-CB 3.36Å; G181-E184 PolarHBondContact O-N 2.92Å; I182-E184 PolarHBondContact O-N 2.95Å; E184-R187 PolarHBondContact O-NE 3.48Å; E184-Y188 VanDerWaalsContact O-CD2 3.26Å; E184-Y188 WeakPolarHBondContact O-CD2 3.49Å
185	V	90.5	Very high	88.7	Confident	34 Å²	34	41 Å²	41	21%	0.206	20%	0.2	C	C	.	.	H	α-helix	trans	-85.4	-44.5	179.1	174.9	0	0	0	0	111.1	L124 A174 I182 N183 R187 Y188 W189	L124-V185 HydrophobicContact CD1-CG1 4.34Å; A174-V185 HydrophobicContact CB-CB 4.31Å; I182-V185 PolarHBondContact O-N 2.98Å; N183-V185 PolarHBondContact O-N 3.12Å; V185-R187 VanDerWaalsContact C-N 3.3Å; V185-R187 PolarHBondContact O-N 3.32Å; V185-Y188 PolarHBondContact O-N 3.14Å; V185-W189 HydrophobicContact CG1-CB 4.11Å; V185-W189 WeakPolarHBondContact O-CB 3.34Å; V185-W189 PolarHBondContact O-N 3.27Å
186	L	90.4	Very high	88.6	Confident	4 Å²	4	40.8 Å²	40.8	2%	0.021	20%	0.199	C	C	.	.	H	α-helix	trans	-61.4	-37.2	-174	-61.1	-179.1	0	0	0	113	L33 L124 I182 N183 Y188 W189 I190 W215	L33-L186 HydrophobicContact CD1-CD1 4.12Å; L33-L186 HydrophobicContact CD1-CD2 4.15Å; L33-L186 HydrophobicContact CD2-CD1 3.98Å; L124-L186 HydrophobicContact CD1-CD2 4.01Å; L124-L186 HydrophobicContact CD2-CD2 3.67Å; L124-L186 HydrophobicContact CG-CD2 4.46Å; I182-L186 HydrophobicContact CD1-CD1 4.09Å; I182-L186 HydrophobicContact CG1-CD1 4.16Å; I182-L186 WeakPolarHBondContact O-CG 3.43Å; I182-L186 PolarHBondContact O-N 3.32Å; N183-L186 PolarHBondContact O-N 3.14Å; L186-Y188 PolarHBondContact O-N 3.02Å; L186-W189 PolarHBondContact O-N 3.15Å; L186-I190 HydrophobicContact CB-CD1 4.21Å; L186-I190 HydrophobicContact CD2-CD1 4.13Å; L186-I190 HydrophobicContact CD2-CG1 4.44Å; L186-I190 WeakPolarHBondContact O-CB 3.48Å; L186-I190 PolarHBondContact O-N 3.34Å; L186-W215 HydrophobicContact CB-CH2 3.49Å; L186-W215 VanDerWaalsContact CB-CH2 3.49Å; L186-W215 HydrophobicContact CB-CZ2 4.2Å; L186-W215 HydrophobicContact CB-CZ3 3.97Å; L186-W215 HydrophobicContact CD1-CH2 4.36Å
187	R	88.9	Confident	89	Confident	69 Å²	69	36.4 Å²	36.4	26%	0.26	18%	0.179	S	C	.	.	H	α-helix	trans	-61.3	-26.6	-177.9	72.8	-174.4	174.3	164.5	0.8	114.1	N183 E184 V185 P191 W215	N183-R187 WeakPolarHBondContact O-CB 3.41Å; N183-R187 VanDerWaalsContact O-CG 3.31Å; N183-R187 WeakPolarHBondContact O-CG 3.33Å; N183-R187 PolarHBondContact O-N 2.87Å; E184-R187 PolarHBondContact O-NE 3.48Å; V185-R187 VanDerWaalsContact C-N 3.3Å; V185-R187 PolarHBondContact O-N 3.32Å; R187-P191 WeakPolarHBondContact O-CD 3.26Å; R187-P191 WeakPolarHBondContact O-CG 3.43Å; R187-W215 VanDerWaalsContact CA-CD2 3.48Å; R187-W215 HydrophobicContact CB-CB 4.39Å; R187-W215 HydrophobicContact CB-CD2 3.82Å; R187-W215 HydrophobicContact CB-CG 3.71Å; R187-W215 HydrophobicContact CB-CZ2 4.4Å
188	Y	88.6	Confident	89.3	Confident	121 Å²	121	31.6 Å²	31.6	48%	0.475	16%	0.156	S	C	.	.	H	α-helix	trans	-101.9	-41.3	175.8	-55.2	-62.5	0	0	0	111.6	E184 V185 L186 A192	E184-Y188 VanDerWaalsContact O-CD2 3.26Å; E184-Y188 WeakPolarHBondContact O-CD2 3.49Å; V185-Y188 PolarHBondContact O-N 3.14Å; L186-Y188 PolarHBondContact O-N 3.02Å; Y188-A192 WeakPolarHBondContact O-CB 3.14Å; Y188-A192 PolarHBondContact O-N 3.48Å; Y188-A192 VanDerWaalsContact O-N 3.14Å
189	W	92.6	Very high	89.6	Confident	12 Å²	12	36 Å²	36	5%	0.045	17%	0.173	C	C	.	.	H	α-helix	trans	-67.8	-41.1	-174.1	-172.5	92.8	0	0	0	112.5	L37 I82 S122 L124 L169 G172 V185 L186 L193	L37-W189 HydrophobicContact CD1-CH2 4.28Å; L37-W189 HydrophobicContact CD1-CZ3 3.98Å; L37-W189 HydrophobicContact CD2-CZ3 4.4Å; I82-W189 HydrophobicContact CG2-CH2 3.91Å; S122-W189 WeakPolarHBondContact OG-CZ2 3.25Å; L124-W189 HydrophobicContact CB-CH2 3.72Å; L124-W189 HydrophobicContact CB-CZ2 3.7Å; L124-W189 HydrophobicContact CB-CZ3 4.15Å; L124-W189 HydrophobicContact CD1-CD2 4.18Å; L124-W189 HydrophobicContact CD1-CE3 4.35Å; L124-W189 HydrophobicContact CD1-CG 4.5Å; L124-W189 HydrophobicContact CD2-CE3 4.17Å; L124-W189 HydrophobicContact CD2-CH2 4.34Å; L124-W189 HydrophobicContact CD2-CZ3 3.95Å; L169-W189 VanDerWaalsContact O-CD1 3.23Å; L169-W189 PolarHBondContact O-NE1 3.39Å; G172-W189 VanDerWaalsContact CA-CD1 3.4Å; V185-W189 HydrophobicContact CG1-CB 4.11Å; V185-W189 WeakPolarHBondContact O-CB 3.34Å; V185-W189 PolarHBondContact O-N 3.27Å; L186-W189 PolarHBondContact O-N 3.15Å; W189-L193 HydrophobicContact CE3-CB 4.38Å; W189-L193 HydrophobicContact CE3-CD2 4.47Å; W189-L193 HydrophobicContact CH2-CD1 4.29Å; W189-L193 HydrophobicContact CH2-CD2 3.78Å; W189-L193 HydrophobicContact CH2-CG 4.41Å; W189-L193 HydrophobicContact CZ3-CB 4.27Å; W189-L193 HydrophobicContact CZ3-CD2 3.63Å; W189-L193 HydrophobicContact CZ3-CG 4.42Å; W189-L193 VanDerWaalsContact O-CB 3.26Å; W189-L193 WeakPolarHBondContact O-CB 3.49Å; W189-L193 PolarHBondContact O-N 3.01Å
190	I	93.8	Very high	90.1	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-69.4	-50.3	-177.6	-67.2	-175.7	0	0	0	111.9	L37 L186 A192 L193 W194 W215 L218	L37-I190 HydrophobicContact CD2-CD1 3.95Å; L37-I190 HydrophobicContact CD2-CG1 4.03Å; L37-I190 HydrophobicContact CD2-CG2 4.16Å; L186-I190 HydrophobicContact CB-CD1 4.21Å; L186-I190 HydrophobicContact CD2-CD1 4.13Å; L186-I190 HydrophobicContact CD2-CG1 4.44Å; L186-I190 WeakPolarHBondContact O-CB 3.48Å; L186-I190 PolarHBondContact O-N 3.34Å; I190-A192 VanDerWaalsContact C-N 3.3Å; I190-A192 PolarHBondContact O-N 3.48Å; I190-L193 WeakPolarHBondContact O-CB 3.39Å; I190-L193 PolarHBondContact O-N 3.32Å; I190-W194 PolarHBondContact O-N 3.23Å; I190-W194 VanDerWaalsContact O-N 3.1Å; I190-W215 HydrophobicContact CB-CZ3 4.27Å; I190-W215 HydrophobicContact CD1-CZ3 3.92Å; I190-W215 HydrophobicContact CG1-CZ3 4.45Å; I190-L218 HydrophobicContact CG2-CD1 3.6Å
191	P	92.4	Very high	90.5	Very high	23 Å²	23	31.5 Å²	31.5	15%	0.149	15%	0.153	C	C	.	.	H	α-helix	trans	-58.1	-43.2	174	-28	37.8	0	0	0	112.4	R187 L193 W194 D195 I213 W215	R187-P191 WeakPolarHBondContact O-CD 3.26Å; R187-P191 WeakPolarHBondContact O-CG 3.43Å; P191-L193 PolarHBondContact O-N 2.87Å; P191-W194 PolarHBondContact O-N 3.47Å; P191-D195 WeakPolarHBondContact O-CB 3.44Å; P191-D195 PolarHBondContact O-N 3.12Å; P191-I213 VanDerWaalsContact CB-O 3.3Å; P191-I213 WeakPolarHBondContact CB-O 3.38Å; P191-I213 WeakPolarHBondContact CG-O 3.48Å; P191-I213 WeakPolarHBondContact O-CD1 3.5Å; P191-W215 HydrophobicContact CG-CB 4.17Å
192	A	91.4	Very high	90.8	Very high	9 Å²	9	33.1 Å²	33.1	7%	0.074	17%	0.169	C	C	.	.	H	α-helix	trans	-63.4	-40.5	178.2	0	0	0	0	0	112.2	T155 I157 Y188 I190 N196	T155-A192 HydrophobicContact CG2-CB 4.03Å; I157-A192 HydrophobicContact CD1-CB 3.84Å; Y188-A192 WeakPolarHBondContact O-CB 3.14Å; Y188-A192 PolarHBondContact O-N 3.48Å; Y188-A192 VanDerWaalsContact O-N 3.14Å; I190-A192 VanDerWaalsContact C-N 3.3Å; I190-A192 PolarHBondContact O-N 3.48Å; A192-N196 WeakPolarHBondContact O-CB 3.48Å; A192-N196 PolarHBondContact O-N 3.09Å; A192-N196 PolarHBondContact O-ND2 3.33Å
193	L	94.2	Very high	90.9	Very high	3 Å²	3	31 Å²	31	2%	0.016	16%	0.158	C	C	.	.	H	α-helix	trans	-55.8	-53.8	173.7	171.4	75.1	0	0	0	110.1	L37 I82 L153 W189 I190 P191 D195 N196 V197	L37-L193 HydrophobicContact CD1-CD2 4.39Å; L37-L193 HydrophobicContact CD2-CD2 4.05Å; I82-L193 HydrophobicContact CD1-CD1 3.94Å; I82-L193 HydrophobicContact CD1-CD2 3.92Å; I82-L193 HydrophobicContact CD1-CG 4.36Å; I82-L193 HydrophobicContact CG1-CD1 3.92Å; I82-L193 HydrophobicContact CG2-CD2 4.48Å; L153-L193 HydrophobicContact CD1-CD1 4.13Å; W189-L193 HydrophobicContact CE3-CB 4.38Å; W189-L193 HydrophobicContact CE3-CD2 4.47Å; W189-L193 HydrophobicContact CH2-CD1 4.29Å; W189-L193 HydrophobicContact CH2-CD2 3.78Å; W189-L193 HydrophobicContact CH2-CG 4.41Å; W189-L193 HydrophobicContact CZ3-CB 4.27Å; W189-L193 HydrophobicContact CZ3-CD2 3.63Å; W189-L193 HydrophobicContact CZ3-CG 4.42Å; W189-L193 VanDerWaalsContact O-CB 3.26Å; W189-L193 WeakPolarHBondContact O-CB 3.49Å; W189-L193 PolarHBondContact O-N 3.01Å; I190-L193 WeakPolarHBondContact O-CB 3.39Å; I190-L193 PolarHBondContact O-N 3.32Å; P191-L193 PolarHBondContact O-N 2.87Å; L193-D195 PolarHBondContact O-N 3.33Å; L193-N196 PolarHBondContact O-N 3.09Å; L193-V197 HydrophobicContact CD1-CG2 4.11Å; L193-V197 HydrophobicContact CG-CG2 4.41Å; L193-V197 VanDerWaalsContact O-CG2 3.28Å; L193-V197 WeakPolarHBondContact O-CG2 3.45Å; L193-V197 PolarHBondContact O-N 3.05Å
194	W	94.2	Very high	90.8	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	18%	0.182	C	C	.	.	H	α-helix	trans	-65.9	-40	-175.6	-65.2	129.9	0	0	0	112.8	L37 Q40 I44 I190 P191 N196 V197 M198 I213	L37-W194 HydrophobicContact CB-CH2 4.31Å; L37-W194 HydrophobicContact CB-CZ2 4Å; L37-W194 HydrophobicContact CD2-CZ2 3.73Å; L37-W194 HydrophobicContact CG-CZ2 4.47Å; L37-W194 WeakPolarHBondContact O-CH2 3.31Å; L37-W194 WeakPolarHBondContact O-CZ2 3.32Å; Q40-W194 HydrophobicContact CB-CZ2 3.79Å; I44-W194 HydrophobicContact CD1-CB 4.15Å; I44-W194 HydrophobicContact CD1-CD2 3.69Å; I44-W194 HydrophobicContact CD1-CE3 4.33Å; I44-W194 HydrophobicContact CD1-CG 3.56Å; I190-W194 PolarHBondContact O-N 3.23Å; I190-W194 VanDerWaalsContact O-N 3.1Å; P191-W194 PolarHBondContact O-N 3.47Å; W194-N196 VanDerWaalsContact C-N 3.34Å; W194-N196 PolarHBondContact O-N 3.19Å; W194-V197 PolarHBondContact O-N 3.36Å; W194-M198 WeakPolarHBondContact O-CB 3.32Å; W194-M198 WeakPolarHBondContact O-CE 2.78Å; W194-M198 VanDerWaalsContact O-CG 3.31Å; W194-M198 WeakPolarHBondContact O-CG 3.2Å; W194-M198 PolarHBondContact O-N 3.31Å; W194-I213 HydrophobicContact CB-CB 4.17Å; W194-I213 HydrophobicContact CB-CD1 4.16Å; W194-I213 HydrophobicContact CB-CG2 3.95Å
195	D	91.4	Very high	90.4	Very high	31 Å²	31	32.8 Å²	32.8	17%	0.166	18%	0.177	C	C	.	.	H	α-helix	trans	-57.8	-46.4	174.5	-176.6	53.5	0	0	0	111.5	P191 L193 M198 K199 T205 I213	P191-D195 WeakPolarHBondContact O-CB 3.44Å; P191-D195 PolarHBondContact O-N 3.12Å; L193-D195 PolarHBondContact O-N 3.33Å; D195-M198 PolarHBondContact O-N 2.96Å; D195-K199 WeakPolarHBondContact O-CB 3.46Å; D195-K199 VanDerWaalsContact O-CG 3.31Å; D195-K199 WeakPolarHBondContact O-CG 3.32Å; D195-K199 PolarHBondContact O-N 2.93Å; D195-K199 IonicContact OD1-NZ 3.17Å; D195-K199 WeakPolarHBondContact OD2-CE 3.48Å; D195-K199 IonicContact OD2-NZ 3.87Å; D195-K199 PolarHBondContact OD2-NZ 2.66Å; D195-T205 WeakPolarHBondContact OD1-CB 2.94Å; D195-T205 VanDerWaalsContact OD1-CG2 3.26Å; D195-T205 WeakPolarHBondContact OD1-CG2 3.45Å; D195-T205 PolarHBondContact OD1-OG1 3.46Å; D195-I213 HydrophobicContact CB-CD1 3.77Å
196	N	91.2	Very high	90.1	Very high	21 Å²	21	33.6 Å²	33.6	11%	0.112	18%	0.184	C	C	.	.	H	α-helix	trans	-74.7	-33.2	-178.2	-70.6	-61.5	0	0	0	113.5	C154 T155 A192 L193 W194 L200	C154-N196 VanDerWaalsContact O-CG 3.31Å; C154-N196 PolarHBondContact O-OD1 2.78Å; T155-N196 WeakPolarHBondContact CG2-ND2 3.45Å; A192-N196 WeakPolarHBondContact O-CB 3.48Å; A192-N196 PolarHBondContact O-N 3.09Å; A192-N196 PolarHBondContact O-ND2 3.33Å; L193-N196 PolarHBondContact O-N 3.09Å; W194-N196 VanDerWaalsContact C-N 3.34Å; W194-N196 PolarHBondContact O-N 3.19Å; N196-L200 VanDerWaalsContact O-CB 3.3Å; N196-L200 WeakPolarHBondContact O-CB 3.49Å; N196-L200 PolarHBondContact O-N 3.32Å
197	V	93.1	Very high	89.9	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-64.4	-43.1	171.4	174.6	0	0	0	0	110.5	I19 F45 V80 L153 L193 W194 L200 F201	I19-V197 HydrophobicContact CD1-CG1 3.96Å; I19-V197 HydrophobicContact CG1-CG1 4.27Å; F45-V197 HydrophobicContact CE2-CG1 4.31Å; F45-V197 HydrophobicContact CZ-CG1 3.98Å; V80-V197 HydrophobicContact CG1-CG1 4.13Å; V80-V197 HydrophobicContact CG1-CG2 4.06Å; V80-V197 HydrophobicContact CG2-CG2 4.3Å; L153-V197 HydrophobicContact CD1-CG2 3.88Å; L193-V197 HydrophobicContact CD1-CG2 4.11Å; L193-V197 HydrophobicContact CG-CG2 4.41Å; L193-V197 VanDerWaalsContact O-CG2 3.28Å; L193-V197 WeakPolarHBondContact O-CG2 3.45Å; L193-V197 PolarHBondContact O-N 3.05Å; W194-V197 PolarHBondContact O-N 3.36Å; V197-L200 PolarHBondContact O-N 2.91Å; V197-F201 HydrophobicContact CG1-CD2 4.21Å; V197-F201 HydrophobicContact CG1-CE2 3.96Å; V197-F201 HydrophobicContact CG1-CZ 4.18Å; V197-F201 WeakPolarHBondContact O-CB 3.42Å; V197-F201 WeakPolarHBondContact O-CG 3.44Å; V197-F201 PolarHBondContact O-N 3.21Å
198	M	91.4	Very high	89.7	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.6	-47.2	175.9	-76	-171.8	-62.6	0	0	111.9	I44 F45 W194 D195 L200 F201 G202 V203 L209 I213	I44-M198 HydrophobicContact CG2-SD 4.01Å; F45-M198 HydrophobicContact CZ-CG 4.28Å; W194-M198 WeakPolarHBondContact O-CB 3.32Å; W194-M198 WeakPolarHBondContact O-CE 2.78Å; W194-M198 VanDerWaalsContact O-CG 3.31Å; W194-M198 WeakPolarHBondContact O-CG 3.2Å; W194-M198 PolarHBondContact O-N 3.31Å; D195-M198 PolarHBondContact O-N 2.96Å; M198-L200 PolarHBondContact O-N 3.44Å; M198-F201 CarbonylContact O-C 3.45Å; M198-F201 WeakPolarHBondContact O-CA 3.43Å; M198-F201 PolarHBondContact O-N 3.48Å; M198-G202 PolarHBondContact O-N 3.46Å; M198-V203 CarbonylContact C-O 3.55Å; M198-V203 HydrophobicContact CB-CB 4.07Å; M198-V203 HydrophobicContact CG-CB 4.47Å; M198-V203 PolarHBondContact O-N 3.05Å; M198-V203 HydrophobicContact SD-CG1 4.5Å; M198-L209 HydrophobicContact SD-CD1 4.4Å; M198-L209 HydrophobicContact SD-CD2 4.39Å; M198-I213 HydrophobicContact CE-CD1 3.57Å; M198-I213 HydrophobicContact CE-CG1 4.17Å; M198-I213 HydrophobicContact CE-CG2 3.93Å
199	K	90	Very high	89.6	Confident	115 Å²	115	38.6 Å²	38.6	50%	0.5	21%	0.207	S	C	.	.	H	α-helix	trans	-57.1	-48.6	175	-75.8	169.3	175.4	169.1	0	112.1	D195 F201 G202	D195-K199 WeakPolarHBondContact O-CB 3.46Å; D195-K199 VanDerWaalsContact O-CG 3.31Å; D195-K199 WeakPolarHBondContact O-CG 3.32Å; D195-K199 PolarHBondContact O-N 2.93Å; D195-K199 IonicContact OD1-NZ 3.17Å; D195-K199 WeakPolarHBondContact OD2-CE 3.48Å; D195-K199 IonicContact OD2-NZ 3.87Å; D195-K199 PolarHBondContact OD2-NZ 2.66Å; K199-F201 PolarHBondContact O-N 3.23Å; K199-G202 PolarHBondContact O-N 2.93Å
200	L	90.9	Very high	89.4	Confident	60 Å²	60	40.7 Å²	40.7	31%	0.314	22%	0.224	S	C	.	.	H	α-helix	trans	-57.9	-35.1	175.5	-179.8	65.8	0	0	0	111.5	H120 L153 N196 V197 M198 G202	H120-L200 HydrophobicContact CB-CD2 3.8Å; L153-L200 HydrophobicContact CD2-CD2 3.94Å; N196-L200 VanDerWaalsContact O-CB 3.3Å; N196-L200 WeakPolarHBondContact O-CB 3.49Å; N196-L200 PolarHBondContact O-N 3.32Å; V197-L200 PolarHBondContact O-N 2.91Å; M198-L200 PolarHBondContact O-N 3.44Å; L200-G202 VanDerWaalsContact C-N 3.28Å; L200-G202 PolarHBondContact O-N 2.83Å
201	F	92	Very high	89.3	Confident	6 Å²	6	48.4 Å²	48.4	3%	0.026	25%	0.253	C	S	.	.	H	α-helix	trans	-83.5	-1.3	179.6	-70.5	4.4	0	0	0	113.9	K17 I19 F45 L54 P58 V80 V197 M198 K199	K17-F201 HydrophobicContact CB-CD1 4.41Å; K17-F201 HydrophobicContact CB-CE1 4.09Å; K17-F201 HydrophobicContact CB-CE2 4.21Å; K17-F201 HydrophobicContact CB-CZ 3.99Å; K17-F201 HydrophobicContact CD-CB 4.06Å; K17-F201 HydrophobicContact CD-CD1 3.6Å; K17-F201 HydrophobicContact CD-CD2 4.31Å; K17-F201 HydrophobicContact CD-CE1 4.1Å; K17-F201 HydrophobicContact CD-CG 3.72Å; K17-F201 HydrophobicContact CG-CD1 4.49Å; K17-F201 PolarHBondContact NZ-O 2.83Å; I19-F201 HydrophobicContact CD1-CE2 3.86Å; I19-F201 HydrophobicContact CD1-CZ 4.49Å; I19-F201 HydrophobicContact CG1-CE2 3.61Å; I19-F201 HydrophobicContact CG1-CZ 3.79Å; F45-F201 AromaticContact CE1-CD2 3.73Å; F45-F201 HydrophobicContact CE1-CD2 3.73Å; F45-F201 HydrophobicContact CE1-CE2 4.38Å; F45-F201 AromaticContact CZ-CD2 3.78Å; F45-F201 HydrophobicContact CZ-CD2 3.78Å; F45-F201 HydrophobicContact CZ-CE2 4.18Å; L54-F201 HydrophobicContact CD2-CB 4.29Å; L54-F201 WeakPolarHBondContact CD2-O 3.28Å; P58-F201 HydrophobicContact CB-CD2 4.27Å; P58-F201 HydrophobicContact CB-CE2 3.63Å; P58-F201 HydrophobicContact CB-CZ 4.47Å; P58-F201 HydrophobicContact CG-CD2 4.39Å; P58-F201 HydrophobicContact CG-CE2 4.05Å; V80-F201 HydrophobicContact CG1-CZ 4.2Å; V197-F201 HydrophobicContact CG1-CD2 4.21Å; V197-F201 HydrophobicContact CG1-CE2 3.96Å; V197-F201 HydrophobicContact CG1-CZ 4.18Å; V197-F201 WeakPolarHBondContact O-CB 3.42Å; V197-F201 WeakPolarHBondContact O-CG 3.44Å; V197-F201 PolarHBondContact O-N 3.21Å; M198-F201 CarbonylContact O-C 3.45Å; M198-F201 WeakPolarHBondContact O-CA 3.43Å; M198-F201 PolarHBondContact O-N 3.48Å; K199-F201 PolarHBondContact O-N 3.23Å
202	G	89.8	Confident	89.1	Confident	51 Å²	51	48.6 Å²	48.6	53%	0.526	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	19.8	178.8	0	0	0	0	0	113.6	M198 K199 L200 P204	M198-G202 PolarHBondContact O-N 3.46Å; K199-G202 PolarHBondContact O-N 2.93Å; L200-G202 VanDerWaalsContact C-N 3.28Å; L200-G202 PolarHBondContact O-N 2.83Å; G202-P204 WeakPolarHBondContact O-CD 3.31Å
203	V	89.4	Confident	89.2	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.006	25%	0.251	C	S	.	.			trans	-95.5	110.7	176.8	-177.5	0	0	0	0	108	V50 N53 L54 M198 T205 L209	V50-V203 HydrophobicContact CB-CG1 4.45Å; V50-V203 HydrophobicContact CG1-CG1 4.14Å; V50-V203 HydrophobicContact CG1-CG2 4.06Å; V50-V203 HydrophobicContact CG2-CG1 4.23Å; N53-V203 HydrophobicContact CB-CG1 4.43Å; N53-V203 HydrophobicContact CB-CG2 4.19Å; L54-V203 HydrophobicContact CD1-CG2 4.08Å; L54-V203 HydrophobicContact CD2-CG2 3.71Å; L54-V203 HydrophobicContact CG-CG2 3.82Å; M198-V203 CarbonylContact C-O 3.55Å; M198-V203 HydrophobicContact CB-CB 4.07Å; M198-V203 HydrophobicContact CG-CB 4.47Å; M198-V203 PolarHBondContact O-N 3.05Å; M198-V203 HydrophobicContact SD-CG1 4.5Å; V203-T205 PolarHBondContact O-N 3.47Å; V203-L209 HydrophobicContact CG1-CD1 3.92Å
204	P	83.7	Confident	89.1	Confident	82 Å²	82	50 Å²	50	53%	0.532	26%	0.262	S	S	.	.			trans	-69.6	132.2	-179.2	26.7	-32	0	0	0	110.9	G202 S206 L209	G202-P204 WeakPolarHBondContact O-CD 3.31Å; P204-S206 PolarHBondContact O-N 3.36Å; P204-L209 WeakPolarHBondContact O-CD1 3.25Å
205	T	78.9	Confident	89	Confident	44 Å²	44	50.8 Å²	50.8	27%	0.27	27%	0.265	S	S	.	.			trans	-72	89	179	-38.8	0	0	0	0	110.6	D195 V203 L209 S210	D195-T205 WeakPolarHBondContact OD1-CB 2.94Å; D195-T205 VanDerWaalsContact OD1-CG2 3.26Å; D195-T205 WeakPolarHBondContact OD1-CG2 3.45Å; D195-T205 PolarHBondContact OD1-OG1 3.46Å; V203-T205 PolarHBondContact O-N 3.47Å; T205-L209 HydrophobicContact CG2-CB 4.44Å; T205-S210 VanDerWaalsContact CG2-OG 3.32Å; T205-S210 WeakPolarHBondContact CG2-OG 3.47Å
206	S	83.6	Confident	88.9	Confident	51 Å²	51	55.1 Å²	55.1	36%	0.357	29%	0.288	S	S	.	.			trans	-70.9	161.1	170.3	67.6	0	0	0	0	111.5	P204 R208 L209 S210	P204-S206 PolarHBondContact O-N 3.36Å; S206-R208 PolarHBondContact O-N 2.85Å; S206-L209 WeakPolarHBondContact O-CA 3.49Å; S206-L209 WeakPolarHBondContact O-CB 3.47Å; S206-L209 PolarHBondContact O-N 3.24Å; S206-L209 PolarHBondContact OG-N 3.4Å; S206-S210 PolarHBondContact O-N 3.32Å; S206-S210 PolarHBondContact O-OG 3.3Å
207	E	85.5	Confident	88.9	Confident	132 Å²	132	56.4 Å²	56.4	62%	0.617	29%	0.294	S	S	*	.	H	α-helix	trans	-54.1	-39	176.5	-173.6	-179.6	-175.6	0	0	112.7	L209 S210 R211	E207-L209 PolarHBondContact O-N 3.14Å; E207-S210 PolarHBondContact O-N 3.47Å; E207-R211 WeakPolarHBondContact O-CG 3.49Å; E207-R211 PolarHBondContact O-N 3.11Å; E207-R211 IonicContact OE1-CZ 3.48Å; E207-R211 IonicContact OE1-NE 3.51Å; E207-R211 IonicContact OE1-NH2 2.67Å; E207-R211 PolarHBondContact OE1-NH2 3.4Å
208	R	85.7	Confident	88.8	Confident	165 Å²	165	56.5 Å²	56.5	62%	0.623	30%	0.295	S	S	*	.	H	α-helix	trans	-62.4	-41.7	175.2	-179.8	177.2	173.5	171.3	-2.6	111.9	S206 L212	S206-R208 PolarHBondContact O-N 2.85Å; R208-L212 WeakPolarHBondContact O-CB 3.01Å; R208-L212 PolarHBondContact O-N 2.68Å; R208-L212 VanDerWaalsContact O-N 3.07Å
209	L	86.8	Confident	88.7	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-69.6	-43.3	177.5	-72.1	172.2	0	0	0	111.2	V50 M198 V203 P204 T205 S206 E207 R211 L212 I213	V50-L209 HydrophobicContact CG2-CD1 4.22Å; V50-L209 HydrophobicContact CG2-CD2 3.44Å; V50-L209 VanDerWaalsContact CG2-CD2 3.44Å; V50-L209 HydrophobicContact CG2-CG 4.48Å; M198-L209 HydrophobicContact SD-CD1 4.4Å; M198-L209 HydrophobicContact SD-CD2 4.39Å; V203-L209 HydrophobicContact CG1-CD1 3.92Å; P204-L209 WeakPolarHBondContact O-CD1 3.25Å; T205-L209 HydrophobicContact CG2-CB 4.44Å; S206-L209 WeakPolarHBondContact O-CA 3.49Å; S206-L209 WeakPolarHBondContact O-CB 3.47Å; S206-L209 PolarHBondContact O-N 3.24Å; S206-L209 PolarHBondContact OG-N 3.4Å; E207-L209 PolarHBondContact O-N 3.14Å; L209-R211 PolarHBondContact O-N 3.28Å; L209-L212 HydrophobicContact CD2-CD2 4.15Å; L209-L212 WeakPolarHBondContact O-CB 3.4Å; L209-L212 PolarHBondContact O-N 3.38Å; L209-I213 VanDerWaalsContact O-CG1 3.29Å; L209-I213 WeakPolarHBondContact O-CG1 3.33Å; L209-I213 PolarHBondContact O-N 3.35Å
210	S	89	Confident	88.9	Confident	57 Å²	57	56 Å²	56	40%	0.399	30%	0.296	S	S	.	.	H	α-helix	trans	-56	-39.9	175.7	-55.2	0	0	0	0	112.3	T205 S206 E207 S214	T205-S210 VanDerWaalsContact CG2-OG 3.32Å; T205-S210 WeakPolarHBondContact CG2-OG 3.47Å; S206-S210 PolarHBondContact O-N 3.32Å; S206-S210 PolarHBondContact O-OG 3.3Å; E207-S210 PolarHBondContact O-N 3.47Å; S210-S214 PolarHBondContact O-N 3.01Å
211	R	90	Very high	89.1	Confident	163 Å²	163	54.4 Å²	54.4	62%	0.615	29%	0.289	S	S	*	.	H	α-helix	trans	-71.1	-34.3	174.3	-68	179.2	-168.7	-175.4	2.6	112.9	E207 L209 S214 N217	E207-R211 WeakPolarHBondContact O-CG 3.49Å; E207-R211 PolarHBondContact O-N 3.11Å; E207-R211 IonicContact OE1-CZ 3.48Å; E207-R211 IonicContact OE1-NE 3.51Å; E207-R211 IonicContact OE1-NH2 2.67Å; E207-R211 PolarHBondContact OE1-NH2 3.4Å; L209-R211 PolarHBondContact O-N 3.28Å; R211-S214 PolarHBondContact O-OG 2.9Å; R211-N217 WeakPolarHBondContact O-CB 3.34Å
212	L	89.3	Confident	89.2	Confident	26 Å²	26	57.7 Å²	57.7	14%	0.136	31%	0.307	C	S	.	.	H	α-helix	trans	-66.6	-42.9	178.6	178.2	73.5	0	0	0	111.9	I44 Q47 R208 L209 S214 N217 F223	I44-L212 HydrophobicContact CG1-CD2 4.45Å; Q47-L212 HydrophobicContact CG-CD2 3.52Å; R208-L212 WeakPolarHBondContact O-CB 3.01Å; R208-L212 PolarHBondContact O-N 2.68Å; R208-L212 VanDerWaalsContact O-N 3.07Å; L209-L212 HydrophobicContact CD2-CD2 4.15Å; L209-L212 WeakPolarHBondContact O-CB 3.4Å; L209-L212 PolarHBondContact O-N 3.38Å; L212-S214 VanDerWaalsContact C-N 3.33Å; L212-N217 PolarHBondContact O-ND2 2.73Å; L212-F223 HydrophobicContact CD1-CD2 4.47Å; L212-F223 HydrophobicContact CD1-CE2 4.07Å
213	I	92.5	Very high	89.5	Confident	7 Å²	7	55.9 Å²	55.9	4%	0.036	28%	0.284	C	S	.	.	S	Bend	trans	-91.3	5.3	-178.7	64.2	153.3	0	0	0	112.9	I44 P191 W194 D195 M198 L209 L218	I44-I213 HydrophobicContact CD1-CG2 3.77Å; I44-I213 HydrophobicContact CG1-CG2 4.02Å; I44-I213 HydrophobicContact CG2-CG2 4.24Å; P191-I213 VanDerWaalsContact CB-O 3.3Å; P191-I213 WeakPolarHBondContact CB-O 3.38Å; P191-I213 WeakPolarHBondContact CG-O 3.48Å; P191-I213 WeakPolarHBondContact O-CD1 3.5Å; W194-I213 HydrophobicContact CB-CB 4.17Å; W194-I213 HydrophobicContact CB-CD1 4.16Å; W194-I213 HydrophobicContact CB-CG2 3.95Å; D195-I213 HydrophobicContact CB-CD1 3.77Å; M198-I213 HydrophobicContact CE-CD1 3.57Å; M198-I213 HydrophobicContact CE-CG1 4.17Å; M198-I213 HydrophobicContact CE-CG2 3.93Å; L209-I213 VanDerWaalsContact O-CG1 3.29Å; L209-I213 WeakPolarHBondContact O-CG1 3.33Å; L209-I213 PolarHBondContact O-N 3.35Å; I213-L218 WeakPolarHBondContact O-CD1 3.39Å
214	S	93.4	Very high	89.7	Confident	35 Å²	35	56 Å²	56	25%	0.245	29%	0.286	C	S	.	.	S	Bend	trans	-65.2	149.4	174	75.3	0	0	0	0	110	S210 R211 L212 D216 N217 L218	S210-S214 PolarHBondContact O-N 3.01Å; R211-S214 PolarHBondContact O-OG 2.9Å; L212-S214 VanDerWaalsContact C-N 3.33Å; S214-D216 VanDerWaalsContact C-N 3.3Å; S214-D216 PolarHBondContact O-N 3.01Å; S214-N217 PolarHBondContact O-N 3.15Å; S214-N217 VanDerWaalsContact O-N 3.16Å; S214-N217 PolarHBondContact OG-N 3.38Å; S214-L218 VanDerWaalsContact O-CG 3.3Å; S214-L218 WeakPolarHBondContact O-CG 3.35Å; S214-L218 PolarHBondContact O-N 3.49Å
215	W	91.2	Very high	90.2	Very high	18 Å²	18	54 Å²	54	7%	0.068	27%	0.269	C	S	.	.	H	α-helix	trans	-56.4	-45.5	179.4	-176.5	-112.3	0	0	0	112.3	N183 L186 R187 I190 P191 N217 L218 K219 E435	N183-W215 HydrophobicContact CB-CZ2 4.42Å; L186-W215 HydrophobicContact CB-CH2 3.49Å; L186-W215 VanDerWaalsContact CB-CH2 3.49Å; L186-W215 HydrophobicContact CB-CZ2 4.2Å; L186-W215 HydrophobicContact CB-CZ3 3.97Å; L186-W215 HydrophobicContact CD1-CH2 4.36Å; R187-W215 VanDerWaalsContact CA-CD2 3.48Å; R187-W215 HydrophobicContact CB-CB 4.39Å; R187-W215 HydrophobicContact CB-CD2 3.82Å; R187-W215 HydrophobicContact CB-CG 3.71Å; R187-W215 HydrophobicContact CB-CZ2 4.4Å; I190-W215 HydrophobicContact CB-CZ3 4.27Å; I190-W215 HydrophobicContact CD1-CZ3 3.92Å; I190-W215 HydrophobicContact CG1-CZ3 4.45Å; P191-W215 HydrophobicContact CG-CB 4.17Å; W215-N217 VanDerWaalsContact C-N 3.28Å; W215-N217 PolarHBondContact O-N 2.94Å; W215-L218 PolarHBondContact O-N 2.75Å; W215-L218 VanDerWaalsContact O-N 3.1Å; W215-K219 HydrophobicContact CD2-CG 4.13Å; W215-K219 HydrophobicContact CH2-CD 4.44Å; W215-K219 HydrophobicContact CH2-CG 4.45Å; W215-K219 HydrophobicContact CZ2-CD 4.15Å; W215-K219 HydrophobicContact CZ2-CG 4.01Å; W215-K219 PolarHBondContact O-N 3.01Å; W215-E435 VanDerWaalsContact NE1-CD 3.31Å; W215-E435 PolarHBondContact NE1-OE1 3.27Å
216	D	89.7	Confident	90.9	Very high	122 Å²	122	53.9 Å²	53.9	65%	0.652	27%	0.269	S	S	*	.	H	α-helix	trans	-54.8	-41.9	177.3	-54.7	-21.3	0	0	0	112.7	S214 N220	S214-D216 VanDerWaalsContact C-N 3.3Å; S214-D216 PolarHBondContact O-N 3.01Å; D216-N220 PolarHBondContact O-N 2.69Å; D216-N220 VanDerWaalsContact O-N 3.11Å
217	N	91.9	Very high	91.2	Very high	47 Å²	47	52.2 Å²	52.2	25%	0.251	26%	0.256	S	S	.	.	H	α-helix	trans	-75.8	-38.4	178.6	-173.4	74.8	0	0	0	111.6	R211 L212 S214 W215 K219 N220 F223	R211-N217 WeakPolarHBondContact O-CB 3.34Å; L212-N217 PolarHBondContact O-ND2 2.73Å; S214-N217 PolarHBondContact O-N 3.15Å; S214-N217 VanDerWaalsContact O-N 3.16Å; S214-N217 PolarHBondContact OG-N 3.38Å; W215-N217 VanDerWaalsContact C-N 3.28Å; W215-N217 PolarHBondContact O-N 2.94Å; N217-K219 PolarHBondContact O-N 3.11Å; N217-N220 WeakPolarHBondContact O-CB 3.3Å; N217-N220 PolarHBondContact O-N 3.46Å; N217-N220 VanDerWaalsContact O-N 3.07Å; N217-F223 WeakPolarHBondContact O-CB 3.41Å; N217-F223 WeakPolarHBondContact O-CG 3.36Å
218	L	90.8	Very high	91.4	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.016	23%	0.233	C	C	.	.	H	α-helix	trans	-65.5	-24.9	177.9	-69.4	177.8	0	0	0	113.1	Q40 I190 I213 S214 W215 F223	Q40-L218 HydrophobicContact CG-CD2 4.16Å; I190-L218 HydrophobicContact CG2-CD1 3.6Å; I213-L218 WeakPolarHBondContact O-CD1 3.39Å; S214-L218 VanDerWaalsContact O-CG 3.3Å; S214-L218 WeakPolarHBondContact O-CG 3.35Å; S214-L218 PolarHBondContact O-N 3.49Å; W215-L218 PolarHBondContact O-N 2.75Å; W215-L218 VanDerWaalsContact O-N 3.1Å; L218-F223 HydrophobicContact CD2-CD1 4.33Å; L218-F223 HydrophobicContact CD2-CE1 3.57Å; L218-F223 HydrophobicContact CD2-CE2 4.49Å; L218-F223 HydrophobicContact CD2-CZ 3.66Å
219	K	88.6	Confident	91.5	Very high	43 Å²	43	42.2 Å²	42.2	19%	0.187	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-9.5	172.8	-73.9	-72.8	-165.8	159.5	0	113.7	W215 N217 V394	W215-K219 HydrophobicContact CD2-CG 4.13Å; W215-K219 HydrophobicContact CH2-CD 4.44Å; W215-K219 HydrophobicContact CH2-CG 4.45Å; W215-K219 HydrophobicContact CZ2-CD 4.15Å; W215-K219 HydrophobicContact CZ2-CG 4.01Å; W215-K219 PolarHBondContact O-N 3.01Å; N217-K219 PolarHBondContact O-N 3.11Å; K219-V394 HydrophobicContact CD-CG2 4.27Å
220	N	93.7	Very high	91.4	Very high	60 Å²	60	43.2 Å²	43.2	32%	0.321	22%	0.224	S	C	.	.			trans	-60.1	131.3	-177.1	-175.2	-74.6	0	0	0	110.6	D216 N217 D222 F223 V224	D216-N220 PolarHBondContact O-N 2.69Å; D216-N220 VanDerWaalsContact O-N 3.11Å; N217-N220 WeakPolarHBondContact O-CB 3.3Å; N217-N220 PolarHBondContact O-N 3.46Å; N217-N220 VanDerWaalsContact O-N 3.07Å; N220-D222 PolarHBondContact O-N 2.78Å; N220-D222 VanDerWaalsContact O-N 3.1Å; N220-D222 VanDerWaalsContact OD1-CB 3.28Å; N220-D222 WeakPolarHBondContact OD1-CB 3.44Å; N220-D222 PolarHBondContact OD1-N 3.49Å; N220-F223 HydrophobicContact CB-CB 4.18Å; N220-F223 WeakPolarHBondContact O-CB 3.26Å; N220-F223 PolarHBondContact O-N 3.36Å; N220-V224 WeakPolarHBondContact O-CG2 3.47Å; N220-V224 PolarHBondContact O-N 2.92Å
221	P	95.5	Very high	91.4	Very high	27 Å²	27	41.1 Å²	41.1	18%	0.175	21%	0.208	C	C	.	.	H	α-helix	trans	-50	-37.6	179.2	-32.6	38.1	0	0	0	114.4	F225 A398 V401	P221-F225 VanDerWaalsContact O-CB 3.26Å; P221-F225 WeakPolarHBondContact O-CB 3.29Å; P221-F225 PolarHBondContact O-N 3.47Å; P221-A398 WeakPolarHBondContact O-CB 3.44Å; P221-V401 HydrophobicContact CB-CB 3.98Å; P221-V401 HydrophobicContact CB-CG1 4.14Å; P221-V401 HydrophobicContact CB-CG2 3.86Å; P221-V401 HydrophobicContact CG-CG2 4.1Å
222	D	94.7	Very high	91.2	Very high	75 Å²	75	37.1 Å²	37.1	40%	0.401	20%	0.199	S	C	.	.	H	α-helix	trans	-72.6	-37.7	179.2	-65.9	-31.3	0	0	0	112.5	N220 S226 K405	N220-D222 PolarHBondContact O-N 2.78Å; N220-D222 VanDerWaalsContact O-N 3.1Å; N220-D222 VanDerWaalsContact OD1-CB 3.28Å; N220-D222 WeakPolarHBondContact OD1-CB 3.44Å; N220-D222 PolarHBondContact OD1-N 3.49Å; D222-S226 WeakPolarHBondContact O-CB 3.29Å; D222-S226 PolarHBondContact O-N 2.85Å; D222-K405 IonicContact OD1-NZ 2.92Å; D222-K405 PolarHBondContact OD1-NZ 2.91Å; D222-K405 IonicContact OD2-NZ 3.69Å; D222-K405 PolarHBondContact OD2-NZ 3.33Å
223	F	94.7	Very high	91.2	Very high	13 Å²	13	37.2 Å²	37.2	6%	0.057	20%	0.2	C	C	.	.	H	α-helix	trans	-67.2	-46.9	175.4	-176.8	-91.7	0	0	0	110.2	Q40 R43 L212 N217 L218 N220 S226 L227	Q40-F223 HydrophobicContact CG-CE1 4.13Å; R43-F223 HydrophobicContact CB-CE2 4.29Å; R43-F223 HydrophobicContact CB-CZ 4.08Å; R43-F223 HydrophobicContact CG-CD2 4.35Å; R43-F223 HydrophobicContact CG-CE2 3.55Å; R43-F223 HydrophobicContact CG-CZ 3.82Å; L212-F223 HydrophobicContact CD1-CD2 4.47Å; L212-F223 HydrophobicContact CD1-CE2 4.07Å; N217-F223 WeakPolarHBondContact O-CB 3.41Å; N217-F223 WeakPolarHBondContact O-CG 3.36Å; L218-F223 HydrophobicContact CD2-CD1 4.33Å; L218-F223 HydrophobicContact CD2-CE1 3.57Å; L218-F223 HydrophobicContact CD2-CE2 4.49Å; L218-F223 HydrophobicContact CD2-CZ 3.66Å; N220-F223 HydrophobicContact CB-CB 4.18Å; N220-F223 WeakPolarHBondContact O-CB 3.26Å; N220-F223 PolarHBondContact O-N 3.36Å; F223-S226 WeakPolarHBondContact O-CB 3.33Å; F223-S226 PolarHBondContact O-N 3.18Å; F223-S226 VanDerWaalsContact O-N 3.08Å; F223-S226 PolarHBondContact O-OG 3.03Å; F223-L227 HydrophobicContact CE1-CD1 4.27Å; F223-L227 HydrophobicContact CE1-CD2 4.04Å; F223-L227 HydrophobicContact CE1-CG 4.44Å; F223-L227 HydrophobicContact CZ-CD2 4.26Å; F223-L227 WeakPolarHBondContact O-CG 3.17Å; F223-L227 PolarHBondContact O-N 2.93Å
224	V	93.9	Very high	91	Very high	5 Å²	5	41.8 Å²	41.8	3%	0.03	22%	0.224	C	C	.	.	H	α-helix	trans	-58.4	-49.1	176.9	173.5	0	0	0	0	110.7	N220 S226 L227 W228 V394 A398	N220-V224 WeakPolarHBondContact O-CG2 3.47Å; N220-V224 PolarHBondContact O-N 2.92Å; V224-S226 PolarHBondContact O-N 2.83Å; V224-L227 VanDerWaalsContact O-CB 3.28Å; V224-L227 WeakPolarHBondContact O-CB 3.49Å; V224-L227 PolarHBondContact O-N 3.32Å; V224-W228 HydrophobicContact CG1-CZ2 4.48Å; V224-V394 HydrophobicContact CB-CG1 4.44Å; V224-V394 HydrophobicContact CG1-CG1 4.02Å; V224-V394 HydrophobicContact CG2-CG1 3.7Å; V224-A398 HydrophobicContact CB-CB 3.95Å; V224-A398 HydrophobicContact CG1-CB 3.68Å
225	F	94.8	Very high	90.6	Very high	40 Å²	40	43.3 Å²	43.3	18%	0.175	23%	0.233	C	C	.	.	H	α-helix	trans	-61.3	-32	176.9	-166.7	-96.2	0	0	0	112	P221 L227 W228 A398 N402 Y472	P221-F225 VanDerWaalsContact O-CB 3.26Å; P221-F225 WeakPolarHBondContact O-CB 3.29Å; P221-F225 PolarHBondContact O-N 3.47Å; F225-L227 PolarHBondContact O-N 3.17Å; F225-W228 HydrophobicContact CD2-CD2 4.33Å; F225-W228 AromaticContact CD2-CE3 3.46Å; F225-W228 HydrophobicContact CD2-CE3 3.46Å; F225-W228 VanDerWaalsContact CD2-CE3 3.46Å; F225-W228 HydrophobicContact CD2-CH2 4.49Å; F225-W228 AromaticContact CD2-CZ3 3.57Å; F225-W228 HydrophobicContact CD2-CZ3 3.57Å; F225-W228 AromaticContact CE2-CE3 3.59Å; F225-W228 HydrophobicContact CE2-CE3 3.59Å; F225-W228 AromaticContact CE2-CZ3 3.73Å; F225-W228 HydrophobicContact CE2-CZ3 3.73Å; F225-W228 HydrophobicContact CG-CE3 4.36Å; F225-W228 WeakPolarHBondContact O-CB 3.39Å; F225-W228 PolarHBondContact O-N 2.99Å; F225-W228 VanDerWaalsContact O-N 3.16Å; F225-A398 HydrophobicContact CB-CB 4.19Å; F225-N402 HydrophobicContact CD1-CB 4.38Å; F225-N402 HydrophobicContact CD2-CB 3.99Å; F225-N402 HydrophobicContact CE1-CB 4.28Å; F225-N402 HydrophobicContact CE2-CB 3.88Å; F225-N402 HydrophobicContact CG-CB 4.25Å; F225-N402 HydrophobicContact CZ-CB 4.04Å; F225-N402 WeakPolarHBondContact CZ-ND2 3.33Å; F225-Y472 HydrophobicContact CE2-CD1 4.18Å; F225-Y472 HydrophobicContact CE2-CE1 4.01Å; F225-Y472 HydrophobicContact CZ-CD1 4.26Å; F225-Y472 AromaticContact CZ-CE1 3.61Å; F225-Y472 HydrophobicContact CZ-CE1 3.61Å; F225-Y472 AromaticContact CZ-CZ 3.91Å
226	S	93.2	Very high	90.1	Very high	40 Å²	40	44.6 Å²	44.6	28%	0.28	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-8.2	176.2	83.3	0	0	0	0	114.7	R43 D222 F223 V224 W228	R43-S226 PolarHBondContact NE-OG 3.25Å; R43-S226 VanDerWaalsContact NE-OG 3.1Å; D222-S226 WeakPolarHBondContact O-CB 3.29Å; D222-S226 PolarHBondContact O-N 2.85Å; F223-S226 WeakPolarHBondContact O-CB 3.33Å; F223-S226 PolarHBondContact O-N 3.18Å; F223-S226 VanDerWaalsContact O-N 3.08Å; F223-S226 PolarHBondContact O-OG 3.03Å; V224-S226 PolarHBondContact O-N 2.83Å; S226-W228 VanDerWaalsContact C-N 3.32Å
227	L	91.1	Very high	88.9	Confident	17 Å²	17	42.3 Å²	42.3	9%	0.089	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-7.8	173.6	-53.9	-176.7	0	0	0	112.6	L36 L39 R43 F223 V224 F225	L36-L227 HydrophobicContact CD1-CD1 3.89Å; L39-L227 HydrophobicContact CB-CB 4.12Å; L39-L227 HydrophobicContact CB-CD1 4.02Å; L39-L227 HydrophobicContact CB-CD2 4.24Å; L39-L227 HydrophobicContact CB-CG 4.34Å; L39-L227 HydrophobicContact CD1-CB 4.19Å; R43-L227 HydrophobicContact CB-CD2 3.69Å; R43-L227 HydrophobicContact CG-CD2 4.01Å; F223-L227 HydrophobicContact CE1-CD1 4.27Å; F223-L227 HydrophobicContact CE1-CD2 4.04Å; F223-L227 HydrophobicContact CE1-CG 4.44Å; F223-L227 HydrophobicContact CZ-CD2 4.26Å; F223-L227 WeakPolarHBondContact O-CG 3.17Å; F223-L227 PolarHBondContact O-N 2.93Å; V224-L227 VanDerWaalsContact O-CB 3.28Å; V224-L227 WeakPolarHBondContact O-CB 3.49Å; V224-L227 PolarHBondContact O-N 3.32Å; F225-L227 PolarHBondContact O-N 3.17Å
228	W	90	Very high	87.1	Confident	33 Å²	33	46 Å²	46	13%	0.125	26%	0.258	C	S	.	.			trans	-100.1	160.3	-174.6	-60.7	-7.3	0	0	0	112.8	V224 F225 S226 N395 A398 F399 Y472 D475 I476	V224-W228 HydrophobicContact CG1-CZ2 4.48Å; F225-W228 HydrophobicContact CD2-CD2 4.33Å; F225-W228 AromaticContact CD2-CE3 3.46Å; F225-W228 HydrophobicContact CD2-CE3 3.46Å; F225-W228 VanDerWaalsContact CD2-CE3 3.46Å; F225-W228 HydrophobicContact CD2-CH2 4.49Å; F225-W228 AromaticContact CD2-CZ3 3.57Å; F225-W228 HydrophobicContact CD2-CZ3 3.57Å; F225-W228 AromaticContact CE2-CE3 3.59Å; F225-W228 HydrophobicContact CE2-CE3 3.59Å; F225-W228 AromaticContact CE2-CZ3 3.73Å; F225-W228 HydrophobicContact CE2-CZ3 3.73Å; F225-W228 HydrophobicContact CG-CE3 4.36Å; F225-W228 WeakPolarHBondContact O-CB 3.39Å; F225-W228 PolarHBondContact O-N 2.99Å; F225-W228 VanDerWaalsContact O-N 3.16Å; S226-W228 VanDerWaalsContact C-N 3.32Å; W228-N395 HydrophobicContact CH2-CB 4.17Å; W228-N395 WeakPolarHBondContact CH2-O 3.43Å; W228-N395 HydrophobicContact CZ2-CB 3.62Å; W228-A398 HydrophobicContact CH2-CB 4.28Å; W228-A398 HydrophobicContact CZ2-CB 4.41Å; W228-F399 HydrophobicContact CH2-CB 4.1Å; W228-F399 HydrophobicContact CZ3-CB 4.02Å; W228-Y472 HydrophobicContact CE3-CD1 4.12Å; W228-D475 HydrophobicContact CD2-CB 3.69Å; W228-D475 HydrophobicContact CE3-CB 4.12Å; W228-D475 HydrophobicContact CG-CB 4.01Å; W228-D475 HydrophobicContact CH2-CB 4.35Å; W228-D475 HydrophobicContact CZ2-CB 4Å; W228-D475 HydrophobicContact CZ3-CB 4.42Å; W228-I476 HydrophobicContact CH2-CD1 4.35Å; W228-I476 HydrophobicContact CH2-CG1 3.71Å; W228-I476 HydrophobicContact CZ3-CD1 4.45Å; W228-I476 HydrophobicContact CZ3-CG1 4.21Å
229	P	87.7	Confident	85.3	Confident	54 Å²	54	48.9 Å²	48.9	35%	0.351	28%	0.275	S	S	.	.			cis	-81.6	151	-6	34.5	-35.6	0	0	0	112.5	Y231	P229-Y231 VanDerWaalsContact C-N 3.31Å; P229-Y231 WeakPolarHBondContact CB-O 3.48Å
230	K	84.7	Confident	83.2	Confident	23 Å²	23	55.2 Å²	55.2	10%	0.1	31%	0.31	C	S	.	.	S	Bend	trans	-71.6	-24.6	174.3	-174.3	-177.8	177.2	-168	0	113.3	E35 C352 F356 D475	E35-K230 IonicContact OE1-NZ 3.88Å; E35-K230 PolarHBondContact OE1-NZ 2.93Å; E35-K230 IonicContact OE2-NZ 3.32Å; E35-K230 PolarHBondContact OE2-NZ 3.45Å; K230-C352 PolarHBondContact O-SG 3.05Å; K230-F356 HydrophobicContact CD-CD1 4.19Å; K230-F356 HydrophobicContact CG-CB 3.96Å; K230-F356 HydrophobicContact CG-CD1 4.06Å; K230-F356 HydrophobicContact CG-CG 3.94Å; K230-D475 VanDerWaalsContact CB-OD1 3.29Å; K230-D475 WeakPolarHBondContact CB-OD1 3.49Å; K230-D475 PolarHBondContact N-OD1 3.48Å
231	Y	87.4	Confident	80.8	Confident	13 Å²	13	58.1 Å²	58.1	5%	0.051	33%	0.326	C	S	.	.	S	Bend	trans	-134.8	155.9	-179.8	-48.5	-72.2	0	0	0	110.3	P229 V233 I349 F356 P359 L474	P229-Y231 VanDerWaalsContact C-N 3.31Å; P229-Y231 WeakPolarHBondContact CB-O 3.48Å; Y231-V233 PolarHBondContact O-N 2.92Å; Y231-I349 HydrophobicContact CG-CG2 4.2Å; Y231-F356 HydrophobicContact CE1-CB 4.36Å; Y231-P359 WeakPolarHBondContact OH-CG 3.22Å; Y231-L474 HydrophobicContact CD2-CB 4.43Å; Y231-L474 HydrophobicContact CD2-CD1 4.28Å
232	D	87.5	Confident	78.3	Confident	79 Å²	79	61.1 Å²	61.1	42%	0.422	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	119.9	167.9	-74.2	-38.6	0	0	0	108.7	I349 T350 C352	D232-I349 WeakPolarHBondContact O-CA 3.43Å; D232-T350 VanDerWaalsContact CB-OG1 3.32Å; D232-T350 WeakPolarHBondContact CB-OG1 3.46Å; D232-T350 PolarHBondContact N-O 3.14Å; D232-T350 PolarHBondContact O-N 3.12Å; D232-C352 WeakPolarHBondContact OD2-CB 3.4Å
233	V	88.3	Confident	76.1	Confident	27 Å²	27	60.1 Å²	60.1	16%	0.164	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	102.2	-178.9	-173.8	0	0	0	0	109.3	Y231 V347 L474	Y231-V233 PolarHBondContact O-N 2.92Å; V233-V347 HydrophobicContact CG1-CB 3.87Å; V233-V347 HydrophobicContact CG1-CG1 3.7Å; V233-L474 HydrophobicContact CG2-CD1 3.84Å
234	I	88	Confident	74.1	Confident	104 Å²	104	62 Å²	62	53%	0.533	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	114.3	176.3	-54.8	174	0	0	0	107.8	V347 K348	I234-V347 WeakPolarHBondContact O-CA 3.36Å; I234-K348 HydrophobicContact CB-CB 4.38Å; I234-K348 PolarHBondContact N-O 2.95Å; I234-K348 PolarHBondContact O-N 3.48Å
235	C	86.3	Confident	72.1	Confident	67 Å²	67	71 Å²	71	45%	0.453	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	129.9	-180	-57.8	0	0	0	0	110.2	L470	C235-L470 HydrophobicContact CB-CD1 4.44Å; C235-L470 VanDerWaalsContact SG-CB 3.53Å
236	S	80.3	Confident	70.3	Confident	45 Å²	45	74.6 Å²	74.6	32%	0.315	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	120.6	171.2	48.7	0	0	0	0	109.6	R346	S236-R346 PolarHBondContact N-O 3.41Å; S236-R346 PolarHBondContact O-N 3.1Å
237	S	63.9	Low	69	Low	74 Å²	74	75 Å²	75	52%	0.517	44%	0.436	S	S	.	.			trans	-91.9	121.6	169.5	173	0	0	0	0	109.3	V239	S237-V239 VanDerWaalsContact C-N 3.34Å; S237-V239 PolarHBondContact OG-N 3.39Å; S237-V239 PolarHBondContact OG-O 2.76Å
238	L	55.3	Low	68.6	Low	125 Å²	125	77.7 Å²	77.7	65%	0.654	46%	0.456	S	S	*	.	S	Bend	trans	-83.1	-13	170.4	-72.8	171.6	0	0	0	112.3	R346	L238-R346 VanDerWaalsContact CD1-CD 3.45Å; L238-R346 HydrophobicContact CD1-CG 4.47Å
239	V	51	Low	68.6	Low	63 Å²	63	81.6 Å²	81.6	38%	0.382	48%	0.475	S	S	.	.	S	Bend	trans	-142	121.7	-171.3	-165.5	0	0	0	0	111.1	S237 N241 P242	S237-V239 VanDerWaalsContact C-N 3.34Å; S237-V239 PolarHBondContact OG-N 3.39Å; S237-V239 PolarHBondContact OG-O 2.76Å; V239-N241 PolarHBondContact O-N 2.9Å; V239-P242 HydrophobicContact CG1-CG 4.21Å
240	L	44.4	Very low	68.7	Low	175 Å²	175	85.2 Å²	85.2	92%	0.916	49%	0.492	S	S	*	.			trans	-58.4	104.7	162.3	-82.5	150.6	0	0	0	108.4	P242	L240-P242 WeakPolarHBondContact O-CD 3.38Å
241	N	45.4	Very low	68.9	Low	122 Å²	122	87.5 Å²	87.5	65%	0.652	51%	0.505	S	S	*	.			trans	-8.9	94.7	173.7	-74.3	-23.5	0	0	0	114.6	V239 G243	V239-N241 PolarHBondContact O-N 2.9Å; N241-G243 PolarHBondContact O-N 3.5Å
242	P	42.5	Very low	69.2	Low	89 Å²	89	87.2 Å²	87.2	58%	0.578	51%	0.505	S	S	*	.			trans	-69	101.2	151.3	22.4	-11.7	0	0	0	103.5	V239 L240 L244	V239-P242 HydrophobicContact CG1-CG 4.21Å; L240-P242 WeakPolarHBondContact O-CD 3.38Å; P242-L244 PolarHBondContact O-N 3.27Å
243	G	48.7	Very low	69.6	Low	54 Å²	54	85.6 Å²	85.6	56%	0.557	50%	0.496	S	S	*	.			trans	-43.5	122.1	-172.8	0	0	0	0	0	110.2	N241 Q245	N241-G243 PolarHBondContact O-N 3.5Å; G243-Q245 PolarHBondContact O-N 3.33Å
244	L	52.9	Low	69.8	Low	53 Å²	53	91.2 Å²	91.2	28%	0.277	52%	0.515	S	S	.	.			trans	-60.5	8.9	178.3	-113.1	93.2	0	0	0	113.1	P242 S246 L252 N342	P242-L244 PolarHBondContact O-N 3.27Å; L244-S246 PolarHBondContact O-N 2.9Å; L244-L252 HydrophobicContact CD2-CD1 4.38Å; L244-N342 HydrophobicContact CD1-CB 4.29Å
245	Q	51.9	Low	70.1	Confident	193 Å²	193	89.1 Å²	89.1	90%	0.902	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-0.1	-165.2	-73.1	-169	-12.6	0	0	115.2	G243	G243-Q245 PolarHBondContact O-N 3.33Å
246	S	55.9	Low	70.6	Confident	116 Å²	116	86.1 Å²	86.1	81%	0.811	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-165.1	29.3	171.2	61.8	0	0	0	0	115.4	L244 S248	L244-S246 PolarHBondContact O-N 2.9Å; S246-S248 PolarHBondContact O-N 3.11Å
247	T	65.2	Low	71.3	Confident	49 Å²	49	86.1 Å²	86.1	30%	0.301	48%	0.48	S	S	.	.			trans	-68	125.9	173	41.4	0	0	0	0	110.1
248	S	83.7	Confident	72.8	Confident	73 Å²	73	88.4 Å²	88.4	51%	0.51	48%	0.481	S	S	.	.			trans	-58.5	149.8	170.9	64.5	0	0	0	0	110.4	S246 N250 N251 L252	S246-S248 PolarHBondContact O-N 3.11Å; S248-N250 PolarHBondContact O-N 3.23Å; S248-N250 VanDerWaalsContact O-N 3.16Å; S248-N251 WeakPolarHBondContact O-CA 3.45Å; S248-N251 WeakPolarHBondContact O-CB 3.12Å; S248-N251 PolarHBondContact O-N 3.25Å; S248-N251 WeakPolarHBondContact OG-CB 3.46Å; S248-N251 PolarHBondContact OG-N 2.85Å; S248-L252 PolarHBondContact O-N 3.4Å
249	E	88.8	Confident	74.7	Confident	115 Å²	115	83.7 Å²	83.7	54%	0.537	46%	0.456	S	S	.	.	H	α-helix	trans	-52.3	-40.3	179.8	-63	-167.4	150	0	0	112.3	N251 L252 L253 L333 Q337	E249-N251 VanDerWaalsContact C-N 3.34Å; E249-N251 PolarHBondContact O-N 3.29Å; E249-L252 PolarHBondContact O-N 3.44Å; E249-L253 WeakPolarHBondContact O-CB 3.22Å; E249-L253 PolarHBondContact O-N 3.44Å; E249-L333 HydrophobicContact CB-CD2 4.21Å; E249-Q337 PolarHBondContact OE1-NE2 3.27Å
250	N	89.7	Confident	76.8	Confident	130 Å²	130	81.3 Å²	81.3	70%	0.695	44%	0.441	S	S	*	.	H	α-helix	trans	-63.8	-36.5	176.6	-69.9	-26.2	0	0	0	112.9	S248 Y254	S248-N250 PolarHBondContact O-N 3.23Å; S248-N250 VanDerWaalsContact O-N 3.16Å; N250-Y254 VanDerWaalsContact O-CB 3.3Å; N250-Y254 WeakPolarHBondContact O-CB 3.44Å; N250-Y254 PolarHBondContact O-N 2.82Å
251	N	90.9	Very high	79.2	Confident	72 Å²	72	78.9 Å²	78.9	39%	0.385	43%	0.425	S	S	.	.	H	α-helix	trans	-71.5	-44.6	177.4	-167.4	-39.1	0	0	0	110.6	S248 E249 L253 Y254 Q255	S248-N251 WeakPolarHBondContact O-CA 3.45Å; S248-N251 WeakPolarHBondContact O-CB 3.12Å; S248-N251 PolarHBondContact O-N 3.25Å; S248-N251 WeakPolarHBondContact OG-CB 3.46Å; S248-N251 PolarHBondContact OG-N 2.85Å; E249-N251 VanDerWaalsContact C-N 3.34Å; E249-N251 PolarHBondContact O-N 3.29Å; N251-L253 PolarHBondContact O-N 2.89Å; N251-Y254 WeakPolarHBondContact O-CB 3.45Å; N251-Y254 PolarHBondContact O-N 2.83Å; N251-Q255 WeakPolarHBondContact O-CG 3.49Å; N251-Q255 PolarHBondContact O-N 3.33Å; N251-Q255 PolarHBondContact OD1-NE2 3.1Å; N251-Q255 VanDerWaalsContact OD1-NE2 3.1Å
252	L	93.3	Very high	81.5	Confident	7 Å²	7	77 Å²	77	4%	0.037	41%	0.411	C	S	.	.	H	α-helix	trans	-60	-46.3	175.9	180	57.8	0	0	0	111.3	L244 S248 E249 Y254 Q255 I256 L333 F336 Q337 P343	L244-L252 HydrophobicContact CD2-CD1 4.38Å; S248-L252 PolarHBondContact O-N 3.4Å; E249-L252 PolarHBondContact O-N 3.44Å; L252-Y254 VanDerWaalsContact C-N 3.33Å; L252-Y254 PolarHBondContact O-N 3.08Å; L252-Q255 WeakPolarHBondContact O-CB 3.35Å; L252-Q255 PolarHBondContact O-N 2.95Å; L252-I256 HydrophobicContact CD1-CD1 4.2Å; L252-I256 HydrophobicContact CD1-CG1 4.44Å; L252-I256 HydrophobicContact CG-CD1 3.96Å; L252-I256 WeakPolarHBondContact O-CD1 3.3Å; L252-I256 VanDerWaalsContact O-CG1 3.29Å; L252-I256 WeakPolarHBondContact O-CG1 3.28Å; L252-I256 PolarHBondContact O-N 3.11Å; L252-L333 HydrophobicContact CB-CD1 4.07Å; L252-L333 HydrophobicContact CD2-CD1 3.67Å; L252-L333 HydrophobicContact CG-CD1 3.8Å; L252-F336 HydrophobicContact CD2-CB 4.15Å; L252-Q337 HydrophobicContact CD2-CG 4.17Å; L252-P343 HydrophobicContact CD1-CG 3.98Å
253	L	94.6	Very high	83.9	Confident	44 Å²	44	72.8 Å²	72.8	23%	0.23	38%	0.384	C	S	.	.	H	α-helix	trans	-60.7	-42.2	176.1	-177.1	62.1	0	0	0	112.1	E249 N251 Q255 I256 V257 K329 L333	E249-L253 WeakPolarHBondContact O-CB 3.22Å; E249-L253 PolarHBondContact O-N 3.44Å; N251-L253 PolarHBondContact O-N 2.89Å; L253-Q255 PolarHBondContact O-N 2.88Å; L253-I256 PolarHBondContact O-N 2.67Å; L253-V257 HydrophobicContact CD1-CG2 4.36Å; L253-V257 WeakPolarHBondContact O-CG2 3.17Å; L253-V257 PolarHBondContact O-N 3.08Å; L253-K329 HydrophobicContact CD1-CB 4.07Å; L253-L333 HydrophobicContact CB-CD1 4.43Å
254	Y	94.1	Very high	86	Confident	145 Å²	145	71.8 Å²	71.8	57%	0.569	37%	0.366	S	S	*	.	H	α-helix	trans	-60.7	-43.2	175.3	174.6	-98.5	0	0	0	112	N250 N251 L252 V257 K258	N250-Y254 VanDerWaalsContact O-CB 3.3Å; N250-Y254 WeakPolarHBondContact O-CB 3.44Å; N250-Y254 PolarHBondContact O-N 2.82Å; N251-Y254 WeakPolarHBondContact O-CB 3.45Å; N251-Y254 PolarHBondContact O-N 2.83Å; L252-Y254 VanDerWaalsContact C-N 3.33Å; L252-Y254 PolarHBondContact O-N 3.08Å; Y254-V257 PolarHBondContact O-N 2.95Å; Y254-K258 HydrophobicContact CE1-CD 4.21Å; Y254-K258 VanDerWaalsContact O-CB 3.31Å; Y254-K258 WeakPolarHBondContact O-CB 3.49Å; Y254-K258 PolarHBondContact O-N 2.84Å
255	Q	93.8	Very high	87.8	Confident	60 Å²	60	71.2 Å²	71.2	28%	0.28	37%	0.369	S	S	.	.	H	α-helix	trans	-62	-45.7	176.3	-71.5	179.8	6.2	0	0	111.9	N251 L252 L253 K258 Q259 P343	N251-Q255 WeakPolarHBondContact O-CG 3.49Å; N251-Q255 PolarHBondContact O-N 3.33Å; N251-Q255 PolarHBondContact OD1-NE2 3.1Å; N251-Q255 VanDerWaalsContact OD1-NE2 3.1Å; L252-Q255 WeakPolarHBondContact O-CB 3.35Å; L252-Q255 PolarHBondContact O-N 2.95Å; L253-Q255 PolarHBondContact O-N 2.88Å; Q255-K258 PolarHBondContact O-N 3.07Å; Q255-Q259 VanDerWaalsContact O-CB 3.23Å; Q255-Q259 WeakPolarHBondContact O-CB 3.32Å; Q255-Q259 PolarHBondContact O-N 2.98Å; Q255-P343 HydrophobicContact CB-CG 4.44Å
256	I	96.1	Very high	89.5	Confident	4 Å²	4	67 Å²	67	2%	0.021	35%	0.349	C	S	.	.	H	α-helix	trans	-57.3	-53.1	176.9	-68.8	160.2	0	0	0	110.2	L252 L253 K258 Q259 V260 I332 L333 F336 P343 A375	L252-I256 HydrophobicContact CD1-CD1 4.2Å; L252-I256 HydrophobicContact CD1-CG1 4.44Å; L252-I256 HydrophobicContact CG-CD1 3.96Å; L252-I256 WeakPolarHBondContact O-CD1 3.3Å; L252-I256 VanDerWaalsContact O-CG1 3.29Å; L252-I256 WeakPolarHBondContact O-CG1 3.28Å; L252-I256 PolarHBondContact O-N 3.11Å; L253-I256 PolarHBondContact O-N 2.67Å; I256-K258 PolarHBondContact O-N 3.41Å; I256-Q259 PolarHBondContact O-N 3.4Å; I256-V260 HydrophobicContact CG2-CG2 4.48Å; I256-V260 VanDerWaalsContact O-CG2 3.28Å; I256-V260 WeakPolarHBondContact O-CG2 3.46Å; I256-V260 PolarHBondContact O-N 2.88Å; I256-I332 HydrophobicContact CD1-CG2 4.39Å; I256-I332 HydrophobicContact CG2-CG2 3.71Å; I256-L333 HydrophobicContact CD1-CD1 4.4Å; I256-F336 HydrophobicContact CD1-CB 4.31Å; I256-F336 HydrophobicContact CD1-CD2 3.41Å; I256-F336 VanDerWaalsContact CD1-CD2 3.41Å; I256-F336 HydrophobicContact CD1-CE2 4.08Å; I256-F336 HydrophobicContact CD1-CG 4.08Å; I256-F336 HydrophobicContact CG1-CD2 3.79Å; I256-F336 HydrophobicContact CG1-CE2 3.99Å; I256-F336 HydrophobicContact CG1-CG 4.48Å; I256-F336 HydrophobicContact CG2-CE2 4.49Å; I256-P343 HydrophobicContact CG1-CB 3.78Å; I256-P343 HydrophobicContact CG1-CG 4.23Å; I256-A375 HydrophobicContact CG2-CB 4.27Å
257	V	95.4	Very high	91.1	Very high	45 Å²	45	61.5 Å²	61.5	27%	0.273	31%	0.311	S	S	.	.	H	α-helix	trans	-60.6	-48.1	-177.8	171.4	0	0	0	0	111.1	L253 Y254 Q259 V260 E261	L253-V257 HydrophobicContact CD1-CG2 4.36Å; L253-V257 WeakPolarHBondContact O-CG2 3.17Å; L253-V257 PolarHBondContact O-N 3.08Å; Y254-V257 PolarHBondContact O-N 2.95Å; V257-Q259 VanDerWaalsContact C-N 3.27Å; V257-Q259 PolarHBondContact O-N 3.32Å; V257-V260 PolarHBondContact O-N 3.06Å; V257-E261 HydrophobicContact CG1-CG 4.49Å; V257-E261 WeakPolarHBondContact O-CG 3.45Å; V257-E261 PolarHBondContact O-N 2.9Å
258	K	95.2	Very high	92	Very high	123 Å²	123	59.5 Å²	59.5	54%	0.535	30%	0.298	S	S	.	.	H	α-helix	trans	-60.7	-39.1	179	-175.2	-178.8	178.8	-177.7	0	111.9	Y254 Q255 I256 F262	Y254-K258 HydrophobicContact CE1-CD 4.21Å; Y254-K258 VanDerWaalsContact O-CB 3.31Å; Y254-K258 WeakPolarHBondContact O-CB 3.49Å; Y254-K258 PolarHBondContact O-N 2.84Å; Q255-K258 PolarHBondContact O-N 3.07Å; I256-K258 PolarHBondContact O-N 3.41Å; K258-F262 WeakPolarHBondContact O-CB 3.32Å; K258-F262 PolarHBondContact O-N 2.79Å
259	Q	95.4	Very high	92.1	Very high	26 Å²	26	61.3 Å²	61.3	12%	0.121	30%	0.299	C	S	.	.	H	α-helix	trans	-67.7	-44.1	178.5	-174	56.8	59.2	0	0	111.2	Q255 I256 V257 E261 F262 D263 S373 A375	Q255-Q259 VanDerWaalsContact O-CB 3.23Å; Q255-Q259 WeakPolarHBondContact O-CB 3.32Å; Q255-Q259 PolarHBondContact O-N 2.98Å; I256-Q259 PolarHBondContact O-N 3.4Å; V257-Q259 VanDerWaalsContact C-N 3.27Å; V257-Q259 PolarHBondContact O-N 3.32Å; Q259-E261 VanDerWaalsContact C-N 3.35Å; Q259-E261 PolarHBondContact O-N 3.47Å; Q259-F262 WeakPolarHBondContact O-CB 3.24Å; Q259-F262 PolarHBondContact O-N 3.19Å; Q259-F262 VanDerWaalsContact O-N 3.17Å; Q259-D263 PolarHBondContact NE2-OD2 3.43Å; Q259-D263 PolarHBondContact O-N 3.2Å; Q259-S373 WeakPolarHBondContact CG-OG 3.38Å; Q259-A375 HydrophobicContact CB-CB 4.14Å; Q259-A375 HydrophobicContact CG-CB 4.05Å
260	V	95.3	Very high	92	Very high	13 Å²	13	59.4 Å²	59.4	8%	0.079	30%	0.299	C	S	.	.	H	α-helix	trans	-60.5	-43.2	175.3	171.8	0	0	0	0	111.8	I256 V257 F262 D263 N264 A375 T379 Y380	I256-V260 HydrophobicContact CG2-CG2 4.48Å; I256-V260 VanDerWaalsContact O-CG2 3.28Å; I256-V260 WeakPolarHBondContact O-CG2 3.46Å; I256-V260 PolarHBondContact O-N 2.88Å; V257-V260 PolarHBondContact O-N 3.06Å; V260-F262 VanDerWaalsContact C-N 3.32Å; V260-F262 PolarHBondContact O-N 2.87Å; V260-D263 PolarHBondContact O-N 3.25Å; V260-N264 WeakPolarHBondContact O-CB 3.36Å; V260-N264 PolarHBondContact O-N 3.23Å; V260-N264 PolarHBondContact O-ND2 3.38Å; V260-A375 HydrophobicContact CG2-CB 4.03Å; V260-T379 HydrophobicContact CG1-CG2 4.4Å; V260-T379 WeakPolarHBondContact CG2-OG1 3.31Å; V260-Y380 HydrophobicContact CG1-CE2 3.63Å
261	E	94.4	Very high	91.8	Very high	123 Å²	123	57.8 Å²	57.8	58%	0.575	29%	0.29	S	S	*	.	H	α-helix	trans	-61.2	-41.3	174.7	-73.4	172.7	178.2	0	0	111.8	V257 Q259 N264 A265	V257-E261 HydrophobicContact CG1-CG 4.49Å; V257-E261 WeakPolarHBondContact O-CG 3.45Å; V257-E261 PolarHBondContact O-N 2.9Å; Q259-E261 VanDerWaalsContact C-N 3.35Å; Q259-E261 PolarHBondContact O-N 3.47Å; E261-N264 PolarHBondContact O-N 2.85Å; E261-A265 WeakPolarHBondContact O-CB 3.39Å; E261-A265 PolarHBondContact O-N 2.7Å
262	F	94.1	Very high	91.7	Very high	83 Å²	83	55.3 Å²	55.3	36%	0.364	28%	0.278	S	S	.	.	H	α-helix	trans	-60.2	-48.7	174.4	174.8	-88.8	0	0	0	111.5	K258 Q259 V260 A265 H266	K258-F262 WeakPolarHBondContact O-CB 3.32Å; K258-F262 PolarHBondContact O-N 2.79Å; Q259-F262 WeakPolarHBondContact O-CB 3.24Å; Q259-F262 PolarHBondContact O-N 3.19Å; Q259-F262 VanDerWaalsContact O-N 3.17Å; V260-F262 VanDerWaalsContact C-N 3.32Å; V260-F262 PolarHBondContact O-N 2.87Å; F262-A265 PolarHBondContact O-N 3.02Å; F262-H266 AromaticContact CD2-CE1 3.35Å; F262-H266 WeakPolarHBondContact CD2-CE1 3.4Å; F262-H266 AromaticContact CD2-CG 4Å; F262-H266 AromaticContact CD2-ND1 3.26Å; F262-H266 VanDerWaalsContact CD2-ND1 3.26Å; F262-H266 WeakPolarHBondContact CD2-ND1 3.35Å; F262-H266 HydrophobicContact CE1-CB 4.18Å; F262-H266 HydrophobicContact CE2-CB 4.41Å; F262-H266 AromaticContact CE2-CD2 3.83Å; F262-H266 AromaticContact CE2-CE1 3.4Å; F262-H266 WeakPolarHBondContact CE2-CE1 3.36Å; F262-H266 AromaticContact CE2-CG 3.65Å; F262-H266 AromaticContact CE2-ND1 3.37Å; F262-H266 WeakPolarHBondContact CE2-ND1 3.48Å; F262-H266 AromaticContact CE2-NE2 3.68Å; F262-H266 AromaticContact CG-ND1 3.72Å; F262-H266 HydrophobicContact CZ-CB 4.09Å; F262-H266 AromaticContact CZ-CG 3.81Å; F262-H266 AromaticContact CZ-ND1 3.92Å; F262-H266 WeakPolarHBondContact O-CB 3.4Å; F262-H266 PolarHBondContact O-N 3.16Å; F262-H266 PolarHBondContact O-ND1 3.18Å
263	D	93.1	Very high	91.2	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62.8	-44.3	178.7	-73.7	-65.6	0	0	0	112.1	Q259 V260 A265 H266 S267 F268 R346 S373 W376	Q259-D263 PolarHBondContact NE2-OD2 3.43Å; Q259-D263 PolarHBondContact O-N 3.2Å; V260-D263 PolarHBondContact O-N 3.25Å; D263-A265 VanDerWaalsContact C-N 3.27Å; D263-A265 PolarHBondContact O-N 3.41Å; D263-H266 PolarHBondContact O-N 2.87Å; D263-S267 WeakPolarHBondContact O-CA 3.42Å; D263-S267 VanDerWaalsContact O-CB 3.32Å; D263-S267 WeakPolarHBondContact O-CB 3.37Å; D263-S267 PolarHBondContact O-N 3.28Å; D263-S267 PolarHBondContact OD1-OG 3.02Å; D263-F268 WeakPolarHBondContact O-CD2 3.44Å; D263-F268 PolarHBondContact O-N 2.62Å; D263-F268 VanDerWaalsContact O-N 3.11Å; D263-R346 IonicContact OD1-CZ 3.06Å; D263-R346 IonicContact OD1-NH1 3.73Å; D263-R346 PolarHBondContact OD1-NH1 3.48Å; D263-R346 IonicContact OD1-NH2 2.89Å; D263-R346 PolarHBondContact OD1-NH2 3.33Å; D263-R346 IonicContact OD2-NH1 3.71Å; D263-S373 PolarHBondContact OD1-N 2.98Å; D263-S373 WeakPolarHBondContact OD2-CB 3.26Å; D263-S373 PolarHBondContact OD2-OG 3.41Å; D263-W376 HydrophobicContact CB-CB 4.01Å; D263-W376 HydrophobicContact CB-CG 3.99Å
264	N	91.4	Very high	90.8	Very high	33 Å²	33	53.9 Å²	53.9	18%	0.176	27%	0.271	C	S	.	.	H	α-helix	trans	-57.6	-42.9	175.8	-75.3	-20.6	0	0	0	111.2	V260 E261 F268 M269 S270 W376 Y380	V260-N264 WeakPolarHBondContact O-CB 3.36Å; V260-N264 PolarHBondContact O-N 3.23Å; V260-N264 PolarHBondContact O-ND2 3.38Å; E261-N264 PolarHBondContact O-N 2.85Å; N264-F268 CarbonylContact O-C 3.56Å; N264-M269 PolarHBondContact O-N 3.03Å; N264-S270 WeakPolarHBondContact O-CA 3.41Å; N264-S270 PolarHBondContact O-N 3.5Å; N264-W376 PolarHBondContact OD1-NE1 3.03Å; N264-Y380 PolarHBondContact ND2-OH 3.27Å
265	A	90.9	Very high	90.3	Very high	41 Å²	41	51 Å²	51	34%	0.339	27%	0.268	S	S	.	.	H	α-helix	trans	-73.2	-40.8	178.8	0	0	0	0	0	113.6	E261 F262 D263 M269	E261-A265 WeakPolarHBondContact O-CB 3.39Å; E261-A265 PolarHBondContact O-N 2.7Å; F262-A265 PolarHBondContact O-N 3.02Å; D263-A265 VanDerWaalsContact C-N 3.27Å; D263-A265 PolarHBondContact O-N 3.41Å; A265-M269 VanDerWaalsContact O-CA 3.31Å; A265-M269 WeakPolarHBondContact O-CA 3.36Å; A265-M269 PolarHBondContact O-N 2.92Å
266	H	89.2	Confident	89.8	Confident	104 Å²	104	52 Å²	52	48%	0.481	28%	0.275	S	S	.	.	H	α-helix	trans	-105.4	-37.1	-167.9	-62.3	81.6	0	0	0	114.6	F262 D263 M269	F262-H266 AromaticContact CD2-CE1 3.35Å; F262-H266 WeakPolarHBondContact CD2-CE1 3.4Å; F262-H266 AromaticContact CD2-CG 4Å; F262-H266 AromaticContact CD2-ND1 3.26Å; F262-H266 VanDerWaalsContact CD2-ND1 3.26Å; F262-H266 WeakPolarHBondContact CD2-ND1 3.35Å; F262-H266 HydrophobicContact CE1-CB 4.18Å; F262-H266 HydrophobicContact CE2-CB 4.41Å; F262-H266 AromaticContact CE2-CD2 3.83Å; F262-H266 AromaticContact CE2-CE1 3.4Å; F262-H266 WeakPolarHBondContact CE2-CE1 3.36Å; F262-H266 AromaticContact CE2-CG 3.65Å; F262-H266 AromaticContact CE2-ND1 3.37Å; F262-H266 WeakPolarHBondContact CE2-ND1 3.48Å; F262-H266 AromaticContact CE2-NE2 3.68Å; F262-H266 AromaticContact CG-ND1 3.72Å; F262-H266 HydrophobicContact CZ-CB 4.09Å; F262-H266 AromaticContact CZ-CG 3.81Å; F262-H266 AromaticContact CZ-ND1 3.92Å; F262-H266 WeakPolarHBondContact O-CB 3.4Å; F262-H266 PolarHBondContact O-N 3.16Å; F262-H266 PolarHBondContact O-ND1 3.18Å; D263-H266 PolarHBondContact O-N 2.87Å; H266-M269 WeakPolarHBondContact O-CE 3.48Å
267	S	87.6	Confident	89.6	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.014	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-31.1	177.9	-57.6	0	0	0	0	111.2	D263 R346 D371	D263-S267 WeakPolarHBondContact O-CA 3.42Å; D263-S267 VanDerWaalsContact O-CB 3.32Å; D263-S267 WeakPolarHBondContact O-CB 3.37Å; D263-S267 PolarHBondContact O-N 3.28Å; D263-S267 PolarHBondContact OD1-OG 3.02Å; S267-R346 PolarHBondContact OG-NH2 3.19Å; S267-D371 WeakPolarHBondContact CB-O 3.33Å; S267-D371 PolarHBondContact OG-O 3.36Å
268	F	85.1	Confident	89.4	Confident	7 Å²	7	53.7 Å²	53.7	3%	0.031	28%	0.282	C	S	.	.	S	Bend	trans	-114.4	4.3	-176.9	-61.5	-83.4	0	0	0	114.3	D263 N264 S270 N271 I273 A364 L365 V372 W376	D263-F268 WeakPolarHBondContact O-CD2 3.44Å; D263-F268 PolarHBondContact O-N 2.62Å; D263-F268 VanDerWaalsContact O-N 3.11Å; N264-F268 CarbonylContact O-C 3.56Å; F268-S270 PolarHBondContact O-N 3.32Å; F268-S270 VanDerWaalsContact O-N 3.1Å; F268-N271 VanDerWaalsContact O-CB 3.26Å; F268-N271 WeakPolarHBondContact O-CB 3.19Å; F268-N271 PolarHBondContact O-N 2.84Å; F268-N271 PolarHBondContact O-ND2 3.38Å; F268-I273 HydrophobicContact CB-CD1 3.85Å; F268-I273 HydrophobicContact CB-CG1 4.42Å; F268-I273 HydrophobicContact CD1-CD1 3.4Å; F268-I273 HydrophobicContact CD1-CG1 3.92Å; F268-I273 HydrophobicContact CD2-CD1 3.8Å; F268-I273 HydrophobicContact CE1-CD1 3.77Å; F268-I273 HydrophobicContact CE1-CG1 4.42Å; F268-I273 HydrophobicContact CE2-CD1 4.17Å; F268-I273 HydrophobicContact CG-CD1 3.39Å; F268-I273 HydrophobicContact CG-CG1 4.23Å; F268-I273 HydrophobicContact CZ-CD1 4.13Å; F268-A364 HydrophobicContact CD1-CB 4.39Å; F268-L365 HydrophobicContact CD1-CD2 4.37Å; F268-L365 HydrophobicContact CD2-CD2 4.49Å; F268-L365 HydrophobicContact CE1-CD1 4.32Å; F268-L365 HydrophobicContact CE1-CD2 3.78Å; F268-L365 HydrophobicContact CE1-CG 3.79Å; F268-L365 HydrophobicContact CE2-CD2 3.88Å; F268-L365 HydrophobicContact CZ-CD1 3.8Å; F268-L365 HydrophobicContact CZ-CD2 3.51Å; F268-L365 HydrophobicContact CZ-CG 3.67Å; F268-V372 HydrophobicContact CE2-CG2 4.05Å; F268-V372 HydrophobicContact CZ-CG2 4.39Å; F268-W376 AromaticContact CD2-CE2 3.97Å; F268-W376 HydrophobicContact CD2-CZ2 4.29Å; F268-W376 AromaticContact CD2-NE1 3.71Å; F268-W376 HydrophobicContact CE1-CH2 4.22Å; F268-W376 HydrophobicContact CE1-CZ2 4.05Å; F268-W376 AromaticContact CE2-CD1 3.91Å; F268-W376 AromaticContact CE2-CD2 3.63Å; F268-W376 HydrophobicContact CE2-CD2 3.63Å; F268-W376 AromaticContact CE2-CE2 3.2Å; F268-W376 HydrophobicContact CE2-CE3 4.21Å; F268-W376 HydrophobicContact CE2-CG 4.11Å; F268-W376 HydrophobicContact CE2-CH2 4.12Å; F268-W376 AromaticContact CE2-CZ2 3.52Å; F268-W376 HydrophobicContact CE2-CZ2 3.52Å; F268-W376 HydrophobicContact CE2-CZ3 4.43Å; F268-W376 AromaticContact CE2-NE1 3.35Å; F268-W376 AromaticContact CZ-CD2 3.98Å; F268-W376 HydrophobicContact CZ-CD2 3.98Å; F268-W376 AromaticContact CZ-CE2 3.54Å; F268-W376 HydrophobicContact CZ-CE3 4.13Å; F268-W376 AromaticContact CZ-CH2 3.54Å; F268-W376 HydrophobicContact CZ-CH2 3.54Å; F268-W376 AromaticContact CZ-CZ2 3.35Å; F268-W376 HydrophobicContact CZ-CZ2 3.35Å; F268-W376 AromaticContact CZ-CZ3 3.93Å; F268-W376 HydrophobicContact CZ-CZ3 3.93Å
269	M	86.7	Confident	89.3	Confident	110 Å²	110	51 Å²	51	54%	0.542	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	30.2	177.9	-59.6	-70.9	111	0	0	113.7	N264 A265 H266 N271	N264-M269 PolarHBondContact O-N 3.03Å; A265-M269 VanDerWaalsContact O-CA 3.31Å; A265-M269 WeakPolarHBondContact O-CA 3.36Å; A265-M269 PolarHBondContact O-N 2.92Å; H266-M269 WeakPolarHBondContact O-CE 3.48Å; M269-N271 PolarHBondContact O-N 3.45Å; M269-N271 VanDerWaalsContact O-N 3.12Å
270	S	84.8	Confident	89.2	Confident	75 Å²	75	49.8 Å²	49.8	52%	0.524	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	15.1	-173.6	-49.9	0	0	0	0	114.9	N264 F268 W279	N264-S270 WeakPolarHBondContact O-CA 3.41Å; N264-S270 PolarHBondContact O-N 3.5Å; F268-S270 PolarHBondContact O-N 3.32Å; F268-S270 VanDerWaalsContact O-N 3.1Å; S270-W279 PolarHBondContact O-NE1 3.2Å
271	N	87.4	Confident	89.2	Confident	96 Å²	96	52.3 Å²	52.3	51%	0.513	27%	0.274	S	S	.	.			trans	-72	148.4	176.1	-67.8	-38.1	0	0	0	110.5	F268 M269	F268-N271 VanDerWaalsContact O-CB 3.26Å; F268-N271 WeakPolarHBondContact O-CB 3.19Å; F268-N271 PolarHBondContact O-N 2.84Å; F268-N271 PolarHBondContact O-ND2 3.38Å; M269-N271 PolarHBondContact O-N 3.45Å; M269-N271 VanDerWaalsContact O-N 3.12Å
272	P	88	Confident	89.3	Confident	20 Å²	20	46.5 Å²	46.5	13%	0.13	25%	0.247	C	C	.	.			trans	-63.7	150.7	169.7	30.6	-35.7	0	0	0	110	P274 A277 W279	P272-P274 CarbonylContact C-O 3.51Å; P272-P274 VanDerWaalsContact O-O 3.1Å; P272-A277 HydrophobicContact CB-CB 4.11Å; P272-A277 WeakPolarHBondContact CG-O 3.4Å; P272-W279 HydrophobicContact CB-CD2 4.1Å; P272-W279 HydrophobicContact CB-CG 4.13Å; P272-W279 HydrophobicContact CB-CZ2 4.49Å
273	I	83.7	Confident	89.4	Confident	16 Å²	16	46 Å²	46	8%	0.082	25%	0.251	C	S	.	.	S	Bend	trans	-126.1	130	-172.9	-55.9	171.3	0	0	0	108.1	F268 L361 W376 S530	F268-I273 HydrophobicContact CB-CD1 3.85Å; F268-I273 HydrophobicContact CB-CG1 4.42Å; F268-I273 HydrophobicContact CD1-CD1 3.4Å; F268-I273 HydrophobicContact CD1-CG1 3.92Å; F268-I273 HydrophobicContact CD2-CD1 3.8Å; F268-I273 HydrophobicContact CE1-CD1 3.77Å; F268-I273 HydrophobicContact CE1-CG1 4.42Å; F268-I273 HydrophobicContact CE2-CD1 4.17Å; F268-I273 HydrophobicContact CG-CD1 3.39Å; F268-I273 HydrophobicContact CG-CG1 4.23Å; F268-I273 HydrophobicContact CZ-CD1 4.13Å; I273-L361 HydrophobicContact CG2-CD1 3.58Å; I273-L361 HydrophobicContact CG2-CG 4.07Å; I273-W376 HydrophobicContact CD1-CH2 4.49Å; I273-W376 HydrophobicContact CD1-CZ2 3.5Å; I273-W376 VanDerWaalsContact CD1-CZ2 3.5Å; I273-W376 HydrophobicContact CG2-CH2 4.43Å; I273-W376 HydrophobicContact CG2-CZ2 4.31Å; I273-S530 PolarHBondContact N-OG 2.86Å; I273-S530 WeakPolarHBondContact O-CB 3.19Å; I273-S530 PolarHBondContact O-OG 2.57Å
274	P	86.2	Confident	89.6	Confident	6 Å²	6	50.8 Å²	50.8	4%	0.039	27%	0.268	C	S	.	.	S	Bend	cis	-67	172.7	-0.7	29.8	-36.6	0	0	0	113.9	P272 N276 A277 L361 W532	P272-P274 CarbonylContact C-O 3.51Å; P272-P274 VanDerWaalsContact O-O 3.1Å; P274-N276 WeakPolarHBondContact CB-OD1 3.4Å; P274-N276 WeakPolarHBondContact CG-OD1 3.26Å; P274-N276 PolarHBondContact O-N 3.41Å; P274-A277 HydrophobicContact CG-CB 4.45Å; P274-A277 WeakPolarHBondContact O-CB 3.26Å; P274-A277 PolarHBondContact O-N 2.87Å; P274-L361 HydrophobicContact CB-CD1 4.42Å; P274-W532 HydrophobicContact CG-CE3 4.21Å; P274-W532 HydrophobicContact CG-CH2 4.01Å; P274-W532 HydrophobicContact CG-CZ3 3.7Å
275	T	81.8	Confident	89.9	Confident	83 Å²	83	50.3 Å²	50.3	51%	0.509	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.5	-171.9	48.5	0	0	0	0	115.5	A277 A364	T275-A277 VanDerWaalsContact C-N 3.33Å; T275-A364 HydrophobicContact CG2-CB 3.66Å
276	N	84.4	Confident	90.1	Very high	81 Å²	81	54.4 Å²	54.4	43%	0.433	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	0.5	174	67.7	-56.3	0	0	0	113.6	P274 H360	P274-N276 WeakPolarHBondContact CB-OD1 3.4Å; P274-N276 WeakPolarHBondContact CG-OD1 3.26Å; P274-N276 PolarHBondContact O-N 3.41Å; N276-H360 PolarHBondContact OD1-NE2 2.72Å
277	A	90.8	Very high	90.5	Very high	9 Å²	9	52.8 Å²	52.8	7%	0.074	27%	0.267	C	S	.	.			trans	-84.3	172	-179.6	0	0	0	0	0	112.4	P272 P274 T275 S530 G531 W532	P272-A277 HydrophobicContact CB-CB 4.11Å; P272-A277 WeakPolarHBondContact CG-O 3.4Å; P274-A277 HydrophobicContact CG-CB 4.45Å; P274-A277 WeakPolarHBondContact O-CB 3.26Å; P274-A277 PolarHBondContact O-N 2.87Å; T275-A277 VanDerWaalsContact C-N 3.33Å; A277-S530 WeakPolarHBondContact CB-OG 3.38Å; A277-G531 CarbonylContact C-O 3.29Å; A277-G531 WeakPolarHBondContact CA-O 3.46Å; A277-G531 WeakPolarHBondContact CB-O 3.38Å; A277-W532 HydrophobicContact CB-CE3 3.99Å
278	Q	91.6	Very high	90.9	Very high	77 Å²	77	55.5 Å²	55.5	36%	0.36	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	154	177.3	-61.8	-177.3	-0.4	0	0	109.6	F280 Y304 S530 G531	Q278-F280 HydrophobicContact CB-CE2 4.13Å; Q278-F280 HydrophobicContact CB-CZ 4.48Å; Q278-F280 WeakPolarHBondContact O-CD2 3.44Å; Q278-Y304 VanDerWaalsContact OE1-CD1 3.25Å; Q278-S530 WeakPolarHBondContact O-CA 3.12Å; Q278-G531 PolarHBondContact N-O 3.41Å; Q278-G531 PolarHBondContact O-N 2.98Å
279	W	93.2	Very high	91.4	Very high	67 Å²	67	55.5 Å²	55.5	25%	0.254	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	128.8	172.2	-74.1	117	0	0	0	110.5	S270 P272 K305 C528 F529	S270-W279 PolarHBondContact O-NE1 3.2Å; P272-W279 HydrophobicContact CB-CD2 4.1Å; P272-W279 HydrophobicContact CB-CG 4.13Å; P272-W279 HydrophobicContact CB-CZ2 4.49Å; W279-K305 HydrophobicContact CB-CB 3.96Å; W279-K305 PolarHBondContact O-N 3.05Å; W279-C528 HydrophobicContact CE3-CB 3.98Å; W279-C528 HydrophobicContact CZ3-CB 4.44Å; W279-F529 VanDerWaalsContact CE3-C 3.49Å
280	F	94.6	Very high	91.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	129	170.2	-67.3	-87.4	0	0	0	109.3	Q278 M302 S303 Y304 L321 I495 C528 F529 G531 F533	Q278-F280 HydrophobicContact CB-CE2 4.13Å; Q278-F280 HydrophobicContact CB-CZ 4.48Å; Q278-F280 WeakPolarHBondContact O-CD2 3.44Å; F280-M302 HydrophobicContact CB-CB 4.33Å; F280-M302 HydrophobicContact CB-CG 4.44Å; F280-M302 HydrophobicContact CD1-CG 4.05Å; F280-S303 CarbonylContact C-O 3.57Å; F280-S303 VanDerWaalsContact CA-O 3.31Å; F280-S303 WeakPolarHBondContact CA-O 3.27Å; F280-Y304 HydrophobicContact CD1-CD1 4.19Å; F280-Y304 HydrophobicContact CD1-CE1 4.34Å; F280-Y304 AromaticContact CE1-CD1 3.61Å; F280-Y304 HydrophobicContact CE1-CD1 3.61Å; F280-Y304 AromaticContact CE1-CE1 3.35Å; F280-Y304 HydrophobicContact CE1-CE1 3.35Å; F280-Y304 HydrophobicContact CZ-CD1 4.02Å; F280-Y304 AromaticContact CZ-CE1 3.58Å; F280-Y304 HydrophobicContact CZ-CE1 3.58Å; F280-L321 HydrophobicContact CD2-CD1 4.49Å; F280-L321 HydrophobicContact CE1-CD1 4.4Å; F280-L321 HydrophobicContact CE2-CD1 3.77Å; F280-L321 HydrophobicContact CZ-CD1 3.7Å; F280-I495 HydrophobicContact CD1-CD1 4.33Å; F280-I495 HydrophobicContact CE1-CD1 3.93Å; F280-C528 CarbonylContact O-C 3.59Å; F280-C528 WeakPolarHBondContact O-CA 3.48Å; F280-F529 HydrophobicContact CB-CD1 4.14Å; F280-F529 HydrophobicContact CB-CD2 4.48Å; F280-F529 HydrophobicContact CB-CE1 3.66Å; F280-F529 HydrophobicContact CB-CE2 4.03Å; F280-F529 HydrophobicContact CB-CZ 3.6Å; F280-F529 HydrophobicContact CD2-CE2 4.21Å; F280-F529 HydrophobicContact CD2-CZ 4.48Å; F280-F529 HydrophobicContact CG-CE2 4.33Å; F280-F529 HydrophobicContact CG-CZ 4.15Å; F280-F529 PolarHBondContact N-O 3.24Å; F280-F529 PolarHBondContact O-N 3.29Å; F280-G531 WeakPolarHBondContact CE2-O 3.48Å; F280-F533 AromaticContact CE1-CE2 3.91Å; F280-F533 HydrophobicContact CE1-CE2 3.91Å; F280-F533 HydrophobicContact CE1-CZ 4.02Å; F280-F533 HydrophobicContact CZ-CD2 4.43Å; F280-F533 AromaticContact CZ-CE2 3.69Å; F280-F533 HydrophobicContact CZ-CE2 3.69Å; F280-F533 HydrophobicContact CZ-CZ 4.11Å
281	Q	95.1	Very high	92.2	Very high	65 Å²	65	52.5 Å²	52.5	30%	0.304	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	128.4	172.1	-174.3	168.7	46.5	0	0	110	V283 M302 S303 G526 D527	Q281-V283 PolarHBondContact O-N 2.93Å; Q281-M302 CarbonylContact O-C 3.57Å; Q281-M302 WeakPolarHBondContact O-CA 3.27Å; Q281-M302 WeakPolarHBondContact O-CB 3.46Å; Q281-S303 PolarHBondContact N-O 2.67Å; Q281-S303 PolarHBondContact O-N 2.82Å; Q281-G526 PolarHBondContact NE2-O 3.1Å; Q281-D527 WeakPolarHBondContact CA-O 3.38Å
282	V	96.8	Very high	92.4	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.012	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	120.6	175.7	178.3	0	0	0	0	109.1	C285 L523 P525 G526 D527 F529	V282-C285 HydrophobicContact CG1-CB 4.13Å; V282-L523 HydrophobicContact CG2-CB 3.91Å; V282-L523 HydrophobicContact CG2-CD1 3.85Å; V282-P525 CarbonylContact O-C 3.58Å; V282-P525 WeakPolarHBondContact O-CA 3.2Å; V282-G526 PolarHBondContact O-N 3.39Å; V282-D527 PolarHBondContact N-O 3.26Å; V282-F529 HydrophobicContact CG2-CD1 4.1Å; V282-F529 HydrophobicContact CG2-CE1 4.08Å
283	V	96.2	Very high	92.7	Very high	73 Å²	73	52.8 Å²	52.8	44%	0.442	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-41.2	172.7	178	0	0	0	0	109.5	Q281 E301	Q281-V283 PolarHBondContact O-N 2.93Å; V283-E301 HydrophobicContact CB-CB 4.44Å; V283-E301 HydrophobicContact CB-CG 4.22Å; V283-E301 PolarHBondContact N-O 3.28Å
284	R	96.8	Very high	93	Very high	99 Å²	99	57.8 Å²	57.8	37%	0.374	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	136.8	-177.4	-171	174	63.8	148.7	7.8	110.6	L300 E301 E496	R284-L300 CarbonylContact O-C 3.58Å; R284-L300 VanDerWaalsContact O-CA 3.3Å; R284-L300 WeakPolarHBondContact O-CA 3.35Å; R284-E301 HydrophobicContact CB-CB 4.05Å; R284-E301 IonicContact CZ-OE2 2.67Å; R284-E301 PolarHBondContact N-O 2.83Å; R284-E301 VanDerWaalsContact N-O 3.15Å; R284-E301 IonicContact NE-OE2 3.22Å; R284-E301 PolarHBondContact NE-OE2 2.73Å; R284-E301 IonicContact NH2-OE2 2.7Å; R284-E301 PolarHBondContact NH2-OE2 2.82Å; R284-E301 PolarHBondContact O-N 2.74Å; R284-E496 IonicContact NH2-OE1 3.88Å; R284-E496 PolarHBondContact NH2-OE1 2.73Å
285	C	96.5	Very high	93.3	Very high	24 Å²	24	59.9 Å²	59.9	16%	0.162	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	104.8	170.4	-179.8	0	0	0	0	108.7	V282 L300	V282-C285 HydrophobicContact CG1-CB 4.13Å; C285-L300 HydrophobicContact CB-CD2 4.45Å; C285-L300 HydrophobicContact CB-CG 4.24Å
286	K	96	Very high	93.9	Very high	127 Å²	127	57.5 Å²	57.5	55%	0.552	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.1	136.5	-172.9	-171.1	-175.4	174.3	-177.4	0	111.7	V288 R298 L299	K286-V288 PolarHBondContact O-N 3.04Å; K286-R298 CarbonylContact O-C 3.57Å; K286-R298 VanDerWaalsContact O-CA 3.3Å; K286-R298 WeakPolarHBondContact O-CA 3.22Å; K286-L299 PolarHBondContact N-O 3.32Å; K286-L299 PolarHBondContact O-N 3.05Å
287	R	96.7	Very high	94.6	Very high	69 Å²	69	53.7 Å²	53.7	26%	0.26	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	120.5	166.3	-172.3	169.9	-172.9	-163.1	-3.3	110.1	T289 S290 A291 H293 Q295 D296 T297	R287-T289 WeakPolarHBondContact CG-OG1 3.35Å; R287-T289 PolarHBondContact NE-OG1 2.85Å; R287-S290 PolarHBondContact NH2-O 3.17Å; R287-A291 PolarHBondContact NH1-O 3.04Å; R287-H293 PolarHBondContact NH2-O 3Å; R287-Q295 PolarHBondContact NH2-O 3.1Å; R287-D296 WeakPolarHBondContact CD-OD1 3.38Å; R287-D296 WeakPolarHBondContact CG-OD1 3.13Å; R287-D296 IonicContact NE-OD1 3.38Å; R287-D296 PolarHBondContact NE-OD1 2.85Å; R287-T297 WeakPolarHBondContact CA-O 3.44Å
288	V	96.7	Very high	94.9	Very high	59 Å²	59	56.3 Å²	56.3	36%	0.358	28%	0.282	S	S	.	.			trans	-100.3	-16.4	179.9	-69.5	0	0	0	0	113.3	K286 T297 L299 L498 Y602	K286-V288 PolarHBondContact O-N 3.04Å; V288-T297 HydrophobicContact CG2-CG2 4.19Å; V288-T297 WeakPolarHBondContact CG2-O 3.35Å; V288-T297 PolarHBondContact N-O 3.02Å; V288-L299 HydrophobicContact CG1-CB 3.45Å; V288-L299 VanDerWaalsContact CG1-CB 3.45Å; V288-L299 HydrophobicContact CG1-CD2 4.28Å; V288-L299 HydrophobicContact CG2-CB 4.41Å; V288-L498 HydrophobicContact CG2-CD1 3.85Å; V288-Y602 HydrophobicContact CG2-CD1 3.94Å; V288-Y602 HydrophobicContact CG2-CE1 3.96Å
289	T	96.4	Very high	95.2	Very high	8 Å²	8	53.3 Å²	53.3	5%	0.049	27%	0.269	C	S	.	.	S	Bend	trans	-77.4	155.1	167.9	52.1	0	0	0	0	111.5	R287 Q295 T297 K599 D600 Y602	R287-T289 WeakPolarHBondContact CG-OG1 3.35Å; R287-T289 PolarHBondContact NE-OG1 2.85Å; T289-Q295 PolarHBondContact OG1-O 3.01Å; T289-T297 WeakPolarHBondContact CG2-OG1 3.47Å; T289-T297 PolarHBondContact OG1-N 3.37Å; T289-K599 WeakPolarHBondContact CA-O 3.37Å; T289-K599 WeakPolarHBondContact CB-O 3.48Å; T289-D600 HydrophobicContact CG2-CB 4.25Å; T289-Y602 HydrophobicContact CG2-CE1 4.02Å
290	S	94.6	Very high	95.4	Very high	33 Å²	33	50.1 Å²	50.1	23%	0.231	26%	0.256	C	S	.	.			trans	-59.6	151.6	170.5	73.9	0	0	0	0	111.7	R287 D292 H293 K599	R287-S290 PolarHBondContact NH2-O 3.17Å; S290-D292 WeakPolarHBondContact CB-OD1 3.39Å; S290-D292 PolarHBondContact O-N 2.81Å; S290-D292 PolarHBondContact OG-OD1 2.88Å; S290-H293 VanDerWaalsContact O-CB 3.28Å; S290-H293 WeakPolarHBondContact O-CB 3.48Å; S290-H293 PolarHBondContact O-N 2.61Å; S290-H293 PolarHBondContact OG-N 3.23Å; S290-K599 PolarHBondContact N-O 2.85Å; S290-K599 WeakPolarHBondContact OG-CB 3.48Å; S290-K599 WeakPolarHBondContact OG-CD 3.45Å; S290-K599 WeakPolarHBondContact OG-CG 3.28Å
291	A	92.8	Very high	95.5	Very high	89 Å²	89	52.3 Å²	52.3	74%	0.736	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-33.3	-175	0	0	0	0	0	113.1	R287 H293	R287-A291 PolarHBondContact NH1-O 3.04Å; A291-H293 VanDerWaalsContact C-N 3.33Å
292	D	92.6	Very high	95.5	Very high	111 Å²	111	49.6 Å²	49.6	59%	0.594	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-2.3	177.9	71.1	-43.7	0	0	0	113.3	S290 K599	S290-D292 WeakPolarHBondContact CB-OD1 3.39Å; S290-D292 PolarHBondContact O-N 2.81Å; S290-D292 PolarHBondContact OG-OD1 2.88Å; D292-K599 IonicContact OD2-NZ 3.44Å; D292-K599 PolarHBondContact OD2-NZ 3.14Å
293	H	92.8	Very high	95.3	Very high	11 Å²	11	50.9 Å²	50.9	5%	0.051	26%	0.263	C	S	.	.	S	Bend	trans	-73.5	138	173	-164.2	68.4	0	0	0	110.4	R287 S290 A291 Q295 Y596 K599 D600	R287-H293 PolarHBondContact NH2-O 3Å; S290-H293 VanDerWaalsContact O-CB 3.28Å; S290-H293 WeakPolarHBondContact O-CB 3.48Å; S290-H293 PolarHBondContact O-N 2.61Å; S290-H293 PolarHBondContact OG-N 3.23Å; A291-H293 VanDerWaalsContact C-N 3.33Å; H293-Q295 VanDerWaalsContact C-N 3.33Å; H293-Q295 PolarHBondContact CD2-O 2.85Å; H293-Q295 VanDerWaalsContact CD2-O 3.32Å; H293-Q295 PolarHBondContact O-N 2.95Å; H293-Y596 AromaticContact CE1-CD2 3.83Å; H293-Y596 AromaticContact ND1-CD2 3.88Å; H293-K599 HydrophobicContact CB-CB 4.28Å; H293-D600 IonicContact CE1-OD1 3.58Å; H293-D600 IonicContact CE1-OD2 2.8Å; H293-D600 IonicContact NE2-OD2 2.69Å
294	F	90.2	Very high	94.8	Very high	120 Å²	120	47.7 Å²	47.7	53%	0.526	24%	0.243	S	C	.	.	S	Bend	trans	-64.6	-35.1	-176.9	84.1	-66.9	0	0	0	113	R595	F294-R595 VanDerWaalsContact CD1-NH1 3.25Å
295	Q	92.8	Very high	94.1	Very high	50 Å²	50	48 Å²	48	23%	0.234	25%	0.247	C	C	.	.	S	Bend	trans	-88.8	125.6	177.4	-175.5	62.3	61.7	0	0	108.8	R287 T289 H293 A500 V501	R287-Q295 PolarHBondContact NH2-O 3.1Å; T289-Q295 PolarHBondContact OG1-O 3.01Å; H293-Q295 VanDerWaalsContact C-N 3.33Å; H293-Q295 PolarHBondContact CD2-O 2.85Å; H293-Q295 VanDerWaalsContact CD2-O 3.32Å; H293-Q295 PolarHBondContact O-N 2.95Å; Q295-A500 HydrophobicContact CG-CB 4.41Å; Q295-V501 PolarHBondContact NE2-O 2.63Å
296	D	95.4	Very high	93	Very high	34 Å²	34	51.4 Å²	51.4	18%	0.182	27%	0.269	C	S	.	.			trans	-82.1	120.1	163.4	-173.4	-9.7	0	0	0	108.1	R287 R298 V501	R287-D296 WeakPolarHBondContact CD-OD1 3.38Å; R287-D296 WeakPolarHBondContact CG-OD1 3.13Å; R287-D296 IonicContact NE-OD1 3.38Å; R287-D296 PolarHBondContact NE-OD1 2.85Å; D296-R298 IonicContact OD1-CZ 3.6Å; D296-R298 IonicContact OD1-NE 3.79Å; D296-R298 PolarHBondContact OD1-NE 2.7Å; D296-R298 IonicContact OD1-NH2 2.7Å; D296-R298 IonicContact OD2-CZ 2.96Å; D296-R298 IonicContact OD2-NE 3.43Å; D296-R298 PolarHBondContact OD2-NE 3.02Å; D296-R298 IonicContact OD2-NH2 2.97Å; D296-R298 PolarHBondContact OD2-NH2 3.24Å; D296-V501 HydrophobicContact CB-CB 4.13Å; D296-V501 HydrophobicContact CB-CG2 4.15Å; D296-V501 PolarHBondContact O-N 3.3Å
297	T	97.4	Very high	91.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	127.5	169.6	-44.9	0	0	0	0	109.1	R287 V288 T289 L498 V499 T560 Y602	R287-T297 WeakPolarHBondContact CA-O 3.44Å; V288-T297 HydrophobicContact CG2-CG2 4.19Å; V288-T297 WeakPolarHBondContact CG2-O 3.35Å; V288-T297 PolarHBondContact N-O 3.02Å; T289-T297 WeakPolarHBondContact CG2-OG1 3.47Å; T289-T297 PolarHBondContact OG1-N 3.37Å; T297-L498 HydrophobicContact CG2-CD1 3.59Å; T297-L498 HydrophobicContact CG2-CG 3.92Å; T297-V499 CarbonylContact C-O 3.57Å; T297-V499 WeakPolarHBondContact CA-O 3.24Å; T297-T560 HydrophobicContact CG2-CG2 3.81Å; T297-Y602 HydrophobicContact CG2-CE1 3.8Å; T297-Y602 PolarHBondContact OG1-OH 3.02Å
298	R	97.5	Very high	89.8	Confident	64 Å²	64	53.3 Å²	53.3	24%	0.242	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	136.7	179.7	-58.5	-69.6	170.6	136.3	1.9	109.5	K286 D296 L300 V499 V501 A521	K286-R298 CarbonylContact O-C 3.57Å; K286-R298 VanDerWaalsContact O-CA 3.3Å; K286-R298 WeakPolarHBondContact O-CA 3.22Å; D296-R298 IonicContact OD1-CZ 3.6Å; D296-R298 IonicContact OD1-NE 3.79Å; D296-R298 PolarHBondContact OD1-NE 2.7Å; D296-R298 IonicContact OD1-NH2 2.7Å; D296-R298 IonicContact OD2-CZ 2.96Å; D296-R298 IonicContact OD2-NE 3.43Å; D296-R298 PolarHBondContact OD2-NE 3.02Å; D296-R298 IonicContact OD2-NH2 2.97Å; D296-R298 PolarHBondContact OD2-NH2 3.24Å; R298-L300 HydrophobicContact CB-CD1 3.71Å; R298-V499 PolarHBondContact N-O 2.82Å; R298-V499 PolarHBondContact O-N 3.07Å; R298-V501 HydrophobicContact CG-CG2 3.83Å; R298-A521 HydrophobicContact CG-CB 4.17Å
299	L	98.1	Very high	87.9	Confident	15 Å²	15	57.7 Å²	57.7	8%	0.079	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	115.6	162.4	-175.4	68.2	0	0	0	107.1	K286 V288 A489 E496 L497 L498 F603	K286-L299 PolarHBondContact N-O 3.32Å; K286-L299 PolarHBondContact O-N 3.05Å; V288-L299 HydrophobicContact CG1-CB 3.45Å; V288-L299 VanDerWaalsContact CG1-CB 3.45Å; V288-L299 HydrophobicContact CG1-CD2 4.28Å; V288-L299 HydrophobicContact CG2-CB 4.41Å; L299-A489 HydrophobicContact CD1-CB 4.42Å; L299-E496 HydrophobicContact CD1-CB 4.06Å; L299-L497 WeakPolarHBondContact CA-O 3.2Å; L299-L498 HydrophobicContact CD1-CD1 4.37Å; L299-F603 HydrophobicContact CD1-CE1 3.95Å; L299-F603 HydrophobicContact CD1-CZ 3.95Å; L299-F603 HydrophobicContact CD2-CE1 4.17Å
300	L	97.7	Very high	85.8	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	135.1	177.6	-65.7	89.2	0	0	0	108.9	R284 C285 R298 M302 E496 L497 V499 L520	R284-L300 CarbonylContact O-C 3.58Å; R284-L300 VanDerWaalsContact O-CA 3.3Å; R284-L300 WeakPolarHBondContact O-CA 3.35Å; C285-L300 HydrophobicContact CB-CD2 4.45Å; C285-L300 HydrophobicContact CB-CG 4.24Å; R298-L300 HydrophobicContact CB-CD1 3.71Å; L300-M302 HydrophobicContact CB-CE 3.65Å; L300-E496 CarbonylContact O-C 3.49Å; L300-E496 WeakPolarHBondContact O-CA 3.13Å; L300-E496 WeakPolarHBondContact O-CB 3.47Å; L300-L497 HydrophobicContact CB-CB 4.49Å; L300-L497 PolarHBondContact N-O 2.92Å; L300-L497 PolarHBondContact O-N 2.99Å; L300-V499 HydrophobicContact CD1-CB 3.94Å; L300-V499 HydrophobicContact CD1-CG2 3.65Å; L300-L520 HydrophobicContact CD2-CB 3.91Å; L300-L520 HydrophobicContact CD2-CD2 4.14Å; L300-L520 WeakPolarHBondContact CD2-O 3.42Å
301	E	96.9	Very high	83.9	Confident	46 Å²	46	66 Å²	66	22%	0.215	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	135.7	172.9	-175.5	175.4	173.3	0	0	108.1	V283 R284 K494 I495 E496	V283-E301 HydrophobicContact CB-CB 4.44Å; V283-E301 HydrophobicContact CB-CG 4.22Å; V283-E301 PolarHBondContact N-O 3.28Å; R284-E301 HydrophobicContact CB-CB 4.05Å; R284-E301 IonicContact CZ-OE2 2.67Å; R284-E301 PolarHBondContact N-O 2.83Å; R284-E301 VanDerWaalsContact N-O 3.15Å; R284-E301 IonicContact NE-OE2 3.22Å; R284-E301 PolarHBondContact NE-OE2 2.73Å; R284-E301 IonicContact NH2-OE2 2.7Å; R284-E301 PolarHBondContact NH2-OE2 2.82Å; R284-E301 PolarHBondContact O-N 2.74Å; E301-K494 WeakPolarHBondContact OE1-CE 3.38Å; E301-K494 IonicContact OE2-NZ 2.93Å; E301-I495 WeakPolarHBondContact CA-O 3Å; E301-E496 HydrophobicContact CB-CG 4.14Å; E301-E496 HydrophobicContact CG-CG 4.21Å
302	M	94.6	Very high	81.9	Confident	8 Å²	8	66 Å²	66	4%	0.039	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	162.9	-175.8	59.7	-138.1	64	0	0	112.3	F280 Q281 L300 L321 I495 L497 F529	F280-M302 HydrophobicContact CB-CB 4.33Å; F280-M302 HydrophobicContact CB-CG 4.44Å; F280-M302 HydrophobicContact CD1-CG 4.05Å; Q281-M302 CarbonylContact O-C 3.57Å; Q281-M302 WeakPolarHBondContact O-CA 3.27Å; Q281-M302 WeakPolarHBondContact O-CB 3.46Å; L300-M302 HydrophobicContact CB-CE 3.65Å; M302-L321 HydrophobicContact SD-CD2 3.69Å; M302-I495 HydrophobicContact CG-CB 3.78Å; M302-I495 HydrophobicContact CG-CG2 3.46Å; M302-I495 VanDerWaalsContact CG-CG2 3.46Å; M302-I495 PolarHBondContact N-O 2.91Å; M302-I495 HydrophobicContact SD-CG2 3.76Å; M302-L497 HydrophobicContact CE-CB 4.39Å; M302-L497 HydrophobicContact CE-CD1 4.04Å; M302-L497 HydrophobicContact CE-CG 3.76Å; M302-L497 HydrophobicContact SD-CD1 4.24Å; M302-L497 HydrophobicContact SD-CG 4.19Å; M302-F529 HydrophobicContact SD-CE1 4.07Å; M302-F529 HydrophobicContact SD-CZ 3.55Å; M302-F529 VanDerWaalsContact SD-CZ 3.55Å
303	S	91.8	Very high	80.2	Confident	28 Å²	28	67.2 Å²	67.2	20%	0.196	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	163	175.9	54.2	0	0	0	0	109.7	F280 Q281	F280-S303 CarbonylContact C-O 3.57Å; F280-S303 VanDerWaalsContact CA-O 3.31Å; F280-S303 WeakPolarHBondContact CA-O 3.27Å; Q281-S303 PolarHBondContact N-O 2.67Å; Q281-S303 PolarHBondContact O-N 2.82Å
304	Y	87.3	Confident	79	Confident	7 Å²	7	70.3 Å²	70.3	3%	0.027	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	156	175	-65.4	-71.3	0	0	0	112.3	Q278 F280 P306 L310 E314 I495 F533	Q278-Y304 VanDerWaalsContact OE1-CD1 3.25Å; F280-Y304 HydrophobicContact CD1-CD1 4.19Å; F280-Y304 HydrophobicContact CD1-CE1 4.34Å; F280-Y304 AromaticContact CE1-CD1 3.61Å; F280-Y304 HydrophobicContact CE1-CD1 3.61Å; F280-Y304 AromaticContact CE1-CE1 3.35Å; F280-Y304 HydrophobicContact CE1-CE1 3.35Å; F280-Y304 HydrophobicContact CZ-CD1 4.02Å; F280-Y304 AromaticContact CZ-CE1 3.58Å; F280-Y304 HydrophobicContact CZ-CE1 3.58Å; Y304-P306 CarbonylContact C-O 3.58Å; Y304-P306 CarbonylContact O-C 3.55Å; Y304-L310 HydrophobicContact CD2-CD1 4.31Å; Y304-L310 HydrophobicContact CD2-CD2 4.06Å; Y304-L310 HydrophobicContact CD2-CG 3.83Å; Y304-L310 HydrophobicContact CE2-CD1 4.43Å; Y304-L310 HydrophobicContact CE2-CD2 3.37Å; Y304-L310 HydrophobicContact CE2-CG 3.62Å; Y304-E314 WeakPolarHBondContact CE2-OE2 3.37Å; Y304-E314 VanDerWaalsContact OH-CD 3.29Å; Y304-E314 PolarHBondContact OH-OE2 2.91Å; Y304-I495 HydrophobicContact CE2-CD1 4.1Å; Y304-F533 AromaticContact CE1-CE2 3.87Å; Y304-F533 HydrophobicContact CE1-CE2 3.87Å; Y304-F533 AromaticContact CZ-CE2 3.75Å; Y304-F533 WeakPolarHBondContact OH-CE2 3.03Å
305	K	81.4	Confident	78.6	Confident	105 Å²	105	65 Å²	65	46%	0.457	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	123.4	169.8	-168.2	174.9	-179.2	179.1	0	111.2	W279 C528	W279-K305 HydrophobicContact CB-CB 3.96Å; W279-K305 PolarHBondContact O-N 3.05Å; K305-C528 WeakPolarHBondContact CD-SG 3.48Å; K305-C528 PolarHBondContact NZ-SG 3.39Å; K305-C528 VanDerWaalsContact NZ-SG 3.44Å
306	P	73.4	Confident	78.1	Confident	95 Å²	95	70.7 Å²	70.7	62%	0.617	36%	0.356	S	S	*	.	S	Bend	cis	-62.2	161.8	-5.7	28.7	-33.9	0	0	0	111.5	Y304 I308	Y304-P306 CarbonylContact C-O 3.58Å; Y304-P306 CarbonylContact O-C 3.55Å; P306-I308 HydrophobicContact CG-CD1 4.48Å; P306-I308 HydrophobicContact CG-CG1 4.23Å; P306-I308 PolarHBondContact O-N 2.51Å
307	D	64.1	Low	77.7	Confident	135 Å²	135	69.7 Å²	69.7	72%	0.722	35%	0.35	S	S	*	.			trans	-66.7	84.4	178	-158.1	7.4	0	0	0	108.2
308	I	61.9	Low	77.2	Confident	102 Å²	102	70.3 Å²	70.3	52%	0.523	36%	0.357	S	S	.	.			trans	-83	126.9	171.3	-62.2	167.5	0	0	0	104.4	P306 L310	P306-I308 HydrophobicContact CG-CD1 4.48Å; P306-I308 HydrophobicContact CG-CG1 4.23Å; P306-I308 PolarHBondContact O-N 2.51Å; I308-L310 PolarHBondContact O-N 2.93Å
309	D	55.5	Low	76.9	Confident	151 Å²	151	67.8 Å²	67.8	81%	0.807	35%	0.349	S	S	*	.			trans	-47.7	110.9	171.4	-84.7	-35.8	0	0	0	108.5	K311	D309-K311 PolarHBondContact O-N 3.24Å
310	L	53.5	Low	76.7	Confident	51 Å²	51	67.1 Å²	67.1	27%	0.267	35%	0.346	S	S	.	.			trans	-48.8	111.8	176.5	-89.9	128.1	0	0	0	107.6	Y304 I308 S312 P493 I495	Y304-L310 HydrophobicContact CD2-CD1 4.31Å; Y304-L310 HydrophobicContact CD2-CD2 4.06Å; Y304-L310 HydrophobicContact CD2-CG 3.83Å; Y304-L310 HydrophobicContact CE2-CD1 4.43Å; Y304-L310 HydrophobicContact CE2-CD2 3.37Å; Y304-L310 HydrophobicContact CE2-CG 3.62Å; I308-L310 PolarHBondContact O-N 2.93Å; L310-S312 PolarHBondContact O-N 3.24Å; L310-P493 HydrophobicContact CB-CB 4.06Å; L310-P493 HydrophobicContact CD1-CB 4.06Å; L310-P493 WeakPolarHBondContact CD1-O 3.34Å; L310-P493 HydrophobicContact CD2-CB 4.31Å; L310-P493 WeakPolarHBondContact CD2-O 3.4Å; L310-P493 HydrophobicContact CG-CB 4.37Å; L310-I495 HydrophobicContact CD2-CD1 4.44Å
311	K	53.4	Low	76.6	Confident	164 Å²	164	67.1 Å²	67.1	71%	0.713	35%	0.346	S	S	*	.			trans	-62.1	128.5	161.5	-71.3	-175.8	-179.5	176.7	0	105.6	D309 D313 E314	D309-K311 PolarHBondContact O-N 3.24Å; K311-D313 PolarHBondContact O-N 3.46Å; K311-E314 PolarHBondContact O-N 3.32Å
312	S	52.2	Low	76.5	Confident	90 Å²	90	66.4 Å²	66.4	63%	0.629	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-37.1	-30	174.5	161.1	0	0	0	0	114.1	L310	L310-S312 PolarHBondContact O-N 3.24Å
313	D	56.9	Low	76.6	Confident	135 Å²	135	66 Å²	66	72%	0.722	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	15.5	-165	-53	-21.1	0	0	0	114.5	K311 F315	K311-D313 PolarHBondContact O-N 3.46Å; D313-F315 PolarHBondContact O-N 3.35Å
314	E	67.5	Low	76.7	Confident	76 Å²	76	65.4 Å²	65.4	36%	0.355	33%	0.333	S	S	.	.	S	Bend	trans	-68.5	-35	-172.8	-109.6	-176.6	164	0	0	114.6	Y304 K311	Y304-E314 WeakPolarHBondContact CE2-OE2 3.37Å; Y304-E314 VanDerWaalsContact OH-CD 3.29Å; Y304-E314 PolarHBondContact OH-OE2 2.91Å; K311-E314 PolarHBondContact O-N 3.32Å
315	F	81.5	Confident	77.1	Confident	8 Å²	8	65.1 Å²	65.1	4%	0.035	33%	0.332	C	S	.	.	S	Bend	trans	-128.5	143.6	172.4	70.5	-97.5	0	0	0	111.8	D313 L488 P492 I495 F533	D313-F315 PolarHBondContact O-N 3.35Å; F315-L488 HydrophobicContact CB-CD1 4.28Å; F315-L488 HydrophobicContact CD1-CD1 4.38Å; F315-L488 HydrophobicContact CD2-CD1 3.18Å; F315-L488 HydrophobicContact CE2-CD1 3.38Å; F315-L488 HydrophobicContact CE2-CG 4.47Å; F315-L488 HydrophobicContact CG-CD1 3.72Å; F315-L488 HydrophobicContact CZ-CD1 4.08Å; F315-P492 HydrophobicContact CD1-CG 4.32Å; F315-P492 HydrophobicContact CD2-CG 3.93Å; F315-P492 HydrophobicContact CE1-CB 4.16Å; F315-P492 HydrophobicContact CE1-CG 3.91Å; F315-P492 HydrophobicContact CE2-CB 4.5Å; F315-P492 VanDerWaalsContact CE2-CD 3.43Å; F315-P492 HydrophobicContact CE2-CG 3.5Å; F315-P492 HydrophobicContact CG-CG 4.34Å; F315-P492 HydrophobicContact CZ-CB 4.02Å; F315-P492 HydrophobicContact CZ-CG 3.5Å; F315-P492 VanDerWaalsContact CZ-CG 3.5Å; F315-I495 HydrophobicContact CE1-CG1 3.88Å; F315-F533 HydrophobicContact CB-CB 4.28Å; F315-F533 HydrophobicContact CB-CD1 3.58Å; F315-F533 HydrophobicContact CB-CD2 4.31Å; F315-F533 HydrophobicContact CB-CE1 3.91Å; F315-F533 HydrophobicContact CB-CG 3.78Å; F315-F533 HydrophobicContact CB-CZ 4.44Å; F315-F533 HydrophobicContact CD1-CD1 4.27Å; F315-F533 AromaticContact CD1-CE1 3.69Å; F315-F533 HydrophobicContact CD1-CE1 3.69Å; F315-F533 HydrophobicContact CD1-CE2 4.34Å; F315-F533 AromaticContact CD1-CZ 3.74Å; F315-F533 HydrophobicContact CD1-CZ 3.74Å; F315-F533 HydrophobicContact CE1-CE1 4.32Å; F315-F533 HydrophobicContact CE1-CZ 4.31Å; F315-F533 HydrophobicContact CG-CD1 4.02Å; F315-F533 AromaticContact CG-CE1 3.84Å; F315-F533 HydrophobicContact CG-CE1 3.84Å; F315-F533 HydrophobicContact CG-CZ 4.32Å
316	R	82.4	Confident	77.8	Confident	171 Å²	171	61.2 Å²	61.2	65%	0.645	32%	0.317	S	S	*	.			trans	-90.5	157.3	179.5	-62.4	-175	-174.5	176.3	2.2	110.1	G318 S319	R316-G318 PolarHBondContact O-N 2.93Å; R316-S319 PolarHBondContact N-OG 3.46Å; R316-S319 WeakPolarHBondContact O-CB 3.34Å; R316-S319 PolarHBondContact O-N 3.47Å; R316-S319 PolarHBondContact O-OG 2.98Å; R316-S319 VanDerWaalsContact O-OG 3.05Å
317	L	86.3	Confident	78.8	Confident	12 Å²	12	56.8 Å²	56.8	6%	0.063	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	136.7	169.8	-60.3	-179.8	0	0	0	110.1	S319 F542 L546 F568 H571	L317-S319 VanDerWaalsContact C-N 3.27Å; L317-F542 HydrophobicContact CB-CB 3.96Å; L317-F542 HydrophobicContact CB-CD2 3.71Å; L317-F542 HydrophobicContact CB-CG 4.31Å; L317-F542 HydrophobicContact CD1-CB 4.36Å; L317-L546 HydrophobicContact CD1-CD1 3.73Å; L317-L546 HydrophobicContact CD1-CD2 4.03Å; L317-L546 HydrophobicContact CD1-CG 4.27Å; L317-F568 HydrophobicContact CD1-CD2 4.02Å; L317-H571 HydrophobicContact CD1-CB 3.63Å; L317-H571 HydrophobicContact CD2-CB 3.62Å; L317-H571 HydrophobicContact CG-CB 4.15Å
318	G	87.9	Confident	80.3	Confident	13 Å²	13	55.4 Å²	55.4	13%	0.134	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	85	-1.3	-173.2	0	0	0	0	0	113.5	R316	R316-G318 PolarHBondContact O-N 2.93Å
319	S	91	Very high	81.8	Confident	11 Å²	11	56.7 Å²	56.7	8%	0.077	28%	0.275	C	S	.	.			trans	-67.5	153	166.8	-68.8	0	0	0	0	111.8	R316 L317 L488 G534	R316-S319 PolarHBondContact N-OG 3.46Å; R316-S319 WeakPolarHBondContact O-CB 3.34Å; R316-S319 PolarHBondContact O-N 3.47Å; R316-S319 PolarHBondContact O-OG 2.98Å; R316-S319 VanDerWaalsContact O-OG 3.05Å; L317-S319 VanDerWaalsContact C-N 3.27Å; S319-L488 PolarHBondContact O-N 2.98Å; S319-G534 VanDerWaalsContact CA-O 3.29Å; S319-G534 WeakPolarHBondContact CA-O 3.4Å; S319-G534 WeakPolarHBondContact CB-O 3.4Å
320	V	93.8	Very high	83.6	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.012	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	153.2	170.8	-60.2	0	0	0	0	109.3	Y322 P485 Y486 F533 G534 I536	V320-Y322 HydrophobicContact CG2-CD2 3.85Å; V320-Y322 HydrophobicContact CG2-CE2 3.42Å; V320-Y322 VanDerWaalsContact CG2-CE2 3.42Å; V320-P485 HydrophobicContact CB-CB 3.97Å; V320-P485 HydrophobicContact CG1-CB 4.34Å; V320-P485 HydrophobicContact CG2-CB 3.71Å; V320-Y486 CarbonylContact C-O 3.52Å; V320-Y486 VanDerWaalsContact CA-O 3.26Å; V320-Y486 WeakPolarHBondContact CA-O 3.39Å; V320-Y486 WeakPolarHBondContact CB-O 3.39Å; V320-F533 WeakPolarHBondContact O-CA 3.43Å; V320-G534 PolarHBondContact N-O 2.82Å; V320-G534 PolarHBondContact O-N 3.04Å; V320-I536 HydrophobicContact CG1-CD1 4.48Å; V320-I536 HydrophobicContact CG1-CG1 4.44Å; V320-I536 HydrophobicContact CG1-CG2 4.13Å; V320-I536 HydrophobicContact CG2-CG2 3.87Å
321	L	95.3	Very high	85.6	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	117.2	163	-176.7	61.5	0	0	0	108.6	F280 M302 V323 Y486 L488 I495 L497 F529 F533	F280-L321 HydrophobicContact CD2-CD1 4.49Å; F280-L321 HydrophobicContact CE1-CD1 4.4Å; F280-L321 HydrophobicContact CE2-CD1 3.77Å; F280-L321 HydrophobicContact CZ-CD1 3.7Å; M302-L321 HydrophobicContact SD-CD2 3.69Å; L321-V323 HydrophobicContact CD2-CG2 4.47Å; L321-V323 HydrophobicContact CG-CG2 4.32Å; L321-V323 PolarHBondContact O-N 3.42Å; L321-Y486 PolarHBondContact N-O 2.95Å; L321-Y486 PolarHBondContact O-N 3.22Å; L321-L488 HydrophobicContact CB-CD2 4.14Å; L321-I495 HydrophobicContact CD2-CG2 4.45Å; L321-L497 HydrophobicContact CB-CD2 4.03Å; L321-L497 HydrophobicContact CD2-CD1 4.14Å; L321-L497 HydrophobicContact CD2-CD2 4.23Å; L321-L497 HydrophobicContact CD2-CG 4.49Å; L321-F529 HydrophobicContact CD2-CE2 4.29Å; L321-F529 HydrophobicContact CD2-CZ 4.25Å; L321-F533 HydrophobicContact CB-CE1 4.45Å; L321-F533 HydrophobicContact CD1-CD1 4.25Å; L321-F533 HydrophobicContact CD1-CE1 4.16Å; L321-F533 HydrophobicContact CD1-CE2 4.5Å; L321-F533 HydrophobicContact CD1-CZ 4.29Å
322	Y	95.1	Very high	87.7	Confident	31 Å²	31	44.9 Å²	44.9	12%	0.122	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	115.6	168.1	-73.4	-94.2	0	0	0	108.4	V320 A483 P485 G531 W532	V320-Y322 HydrophobicContact CG2-CD2 3.85Å; V320-Y322 HydrophobicContact CG2-CE2 3.42Å; V320-Y322 VanDerWaalsContact CG2-CE2 3.42Å; Y322-A483 HydrophobicContact CD1-CB 4.32Å; Y322-P485 HydrophobicContact CD1-CB 4.05Å; Y322-P485 HydrophobicContact CE1-CB 3.85Å; Y322-P485 HydrophobicContact CE1-CG 4.13Å; Y322-P485 HydrophobicContact CG-CB 4.49Å; Y322-G531 CarbonylContact O-C 3.55Å; Y322-G531 WeakPolarHBondContact O-CA 3.08Å; Y322-W532 HydrophobicContact CD1-CZ2 4.05Å; Y322-W532 AromaticContact CD2-CD1 3.98Å; Y322-W532 AromaticContact CD2-NE1 3.54Å; Y322-W532 HydrophobicContact CG-CD2 4.4Å; Y322-W532 AromaticContact CG-CE2 3.69Å; Y322-W532 AromaticContact CG-CZ2 3.84Å; Y322-W532 HydrophobicContact CG-CZ2 3.84Å; Y322-W532 AromaticContact CG-NE1 3.65Å; Y322-W532 PolarHBondContact N-O 3.36Å; Y322-W532 PolarHBondContact O-N 3.1Å
323	V	96	Very high	89.8	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	124.8	175.7	175.3	0	0	0	0	107.9	L321 P325 A483 R484 Y486 L497 Y519 L520 F529	L321-V323 HydrophobicContact CD2-CG2 4.47Å; L321-V323 HydrophobicContact CG-CG2 4.32Å; L321-V323 PolarHBondContact O-N 3.42Å; V323-P325 VanDerWaalsContact O-CD 3.22Å; V323-P325 WeakPolarHBondContact O-CD 3.42Å; V323-A483 CarbonylContact O-C 3.6Å; V323-A483 WeakPolarHBondContact O-CA 3.11Å; V323-A483 WeakPolarHBondContact O-CB 3.41Å; V323-R484 PolarHBondContact N-O 2.75Å; V323-R484 PolarHBondContact O-N 3.2Å; V323-Y486 HydrophobicContact CB-CD2 4.21Å; V323-Y486 HydrophobicContact CB-CE2 4.19Å; V323-Y486 HydrophobicContact CG2-CD2 3.78Å; V323-Y486 HydrophobicContact CG2-CE2 4.16Å; V323-L497 HydrophobicContact CG2-CD1 4.05Å; V323-Y519 HydrophobicContact CG1-CD1 4.19Å; V323-Y519 HydrophobicContact CG1-CE1 4.19Å; V323-L520 HydrophobicContact CG1-CD1 4.25Å; V323-L520 HydrophobicContact CG1-CD2 3.76Å; V323-L520 HydrophobicContact CG1-CG 4.06Å; V323-L520 HydrophobicContact CG2-CD1 4.15Å; V323-L520 HydrophobicContact CG2-CD2 4.26Å; V323-F529 HydrophobicContact CG1-CD2 4.06Å; V323-F529 HydrophobicContact CG1-CE2 4.23Å; V323-F529 HydrophobicContact CG2-CE2 3.96Å
324	Q	95.1	Very high	91.7	Very high	14 Å²	14	37.2 Å²	37.2	7%	0.065	17%	0.172	C	C	.	.			trans	-89	104.3	172.2	-176.6	62	58	0	0	108.9	I481 S530 W532	Q324-I481 PolarHBondContact NE2-O 3.4Å; Q324-S530 PolarHBondContact N-O 2.83Å; Q324-S530 VanDerWaalsContact N-O 3.07Å; Q324-W532 HydrophobicContact CB-CZ3 4.42Å
325	P	95.4	Very high	93.1	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.013	16%	0.155	C	C	.	.			trans	-84.8	171.7	-178.6	37.8	-35.1	0	0	0	111.4	V323 I481 T515 A516 Y519	V323-P325 VanDerWaalsContact O-CD 3.22Å; V323-P325 WeakPolarHBondContact O-CD 3.42Å; P325-I481 HydrophobicContact CG-CG2 3.69Å; P325-T515 HydrophobicContact CB-CG2 4.29Å; P325-T515 HydrophobicContact CG-CG2 4.27Å; P325-A516 HydrophobicContact CB-CB 4.13Å; P325-A516 HydrophobicContact CG-CB 4.07Å; P325-Y519 HydrophobicContact CB-CD1 3.86Å; P325-Y519 HydrophobicContact CB-CG 3.97Å
326	T	94.8	Very high	93.8	Very high	22 Å²	22	33.2 Å²	33.2	14%	0.135	15%	0.153	C	C	.	.			trans	-120.8	161.9	172.2	69	0	0	0	0	110.4	T379 Y380 Y519	T326-T379 WeakPolarHBondContact CA-O 3.37Å; T326-T379 WeakPolarHBondContact CB-O 3.4Å; T326-T379 HydrophobicContact CG2-CG2 4.36Å; T326-Y380 HydrophobicContact CG2-CD1 3.49Å; T326-Y380 VanDerWaalsContact CG2-CD1 3.49Å; T326-Y380 HydrophobicContact CG2-CE1 3.25Å; T326-Y380 HydrophobicContact CG2-CG 4.43Å; T326-Y519 HydrophobicContact CG2-CE2 4.1Å
327	N	96.2	Very high	94.5	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.016	14%	0.14	C	C	.	.			trans	-62.9	155.9	164	-73.5	-49.7	0	0	0	110.9	I332 A378 T379 F382 L384 N385	N327-I332 HydrophobicContact CB-CD1 4.01Å; N327-I332 HydrophobicContact CB-CG1 3.68Å; N327-A378 PolarHBondContact ND2-O 3.37Å; N327-T379 PolarHBondContact N-O 3Å; N327-F382 PolarHBondContact ND2-O 2.96Å; N327-L384 HydrophobicContact CB-CD1 4.46Å; N327-L384 WeakPolarHBondContact ND2-CG 3.28Å; N327-N385 PolarHBondContact OD1-ND2 3.17Å
328	R	93.9	Very high	94.9	Very high	106 Å²	106	29.8 Å²	29.8	40%	0.4	15%	0.145	S	C	.	.			trans	-74	151.1	173.5	-67.2	-177.3	55.8	165.1	0.7	110.8	E330 D331 I332 I513	R328-E330 WeakPolarHBondContact CB-OE2 3.23Å; R328-E330 IonicContact CZ-OE2 3.17Å; R328-E330 VanDerWaalsContact CZ-OE2 3.26Å; R328-E330 IonicContact NE-OE2 2.73Å; R328-E330 PolarHBondContact NE-OE2 3.43Å; R328-E330 IonicContact NH2-OE1 3.2Å; R328-E330 PolarHBondContact NH2-OE1 3.11Å; R328-E330 IonicContact NH2-OE2 2.83Å; R328-E330 PolarHBondContact NH2-OE2 2.71Å; R328-E330 PolarHBondContact O-N 3.5Å; R328-D331 PolarHBondContact O-N 2.91Å; R328-D331 VanDerWaalsContact O-N 3.11Å; R328-I332 WeakPolarHBondContact O-CD1 3.47Å; R328-I332 VanDerWaalsContact O-CG1 3.29Å; R328-I332 WeakPolarHBondContact O-CG1 3.35Å; R328-I332 PolarHBondContact O-N 3.11Å; R328-I513 VanDerWaalsContact CD-CD1 3.48Å
329	K	94.3	Very high	95.3	Very high	128 Å²	128	29.2 Å²	29.2	56%	0.557	14%	0.139	S	C	*	.	H	α-helix	trans	-54	-37	176.6	-68.2	-176.6	-177.1	-179.5	0	112.3	L253 L333	L253-K329 HydrophobicContact CD1-CB 4.07Å; K329-L333 WeakPolarHBondContact O-CB 3.31Å; K329-L333 PolarHBondContact O-N 3.39Å
330	E	93.6	Very high	95.3	Very high	99 Å²	99	37.4 Å²	37.4	46%	0.463	17%	0.168	S	C	.	.	H	α-helix	trans	-68.4	-44.2	179.3	-57.2	82.2	-172.8	0	0	112.1	R328 L333 S334	R328-E330 WeakPolarHBondContact CB-OE2 3.23Å; R328-E330 IonicContact CZ-OE2 3.17Å; R328-E330 VanDerWaalsContact CZ-OE2 3.26Å; R328-E330 IonicContact NE-OE2 2.73Å; R328-E330 PolarHBondContact NE-OE2 3.43Å; R328-E330 IonicContact NH2-OE1 3.2Å; R328-E330 PolarHBondContact NH2-OE1 3.11Å; R328-E330 IonicContact NH2-OE2 2.83Å; R328-E330 PolarHBondContact NH2-OE2 2.71Å; R328-E330 PolarHBondContact O-N 3.5Å; E330-L333 PolarHBondContact O-N 3.2Å; E330-S334 PolarHBondContact O-N 3.21Å; E330-S334 PolarHBondContact O-OG 3.23Å
331	D	95.3	Very high	95.3	Very high	12 Å²	12	37.9 Å²	37.9	6%	0.064	17%	0.17	C	C	.	.	H	α-helix	trans	-68.2	-37.3	179.5	-58.5	-48.3	0	0	0	111.4	R328 S334 F335 N385 R453	R328-D331 PolarHBondContact O-N 2.91Å; R328-D331 VanDerWaalsContact O-N 3.11Å; D331-S334 PolarHBondContact O-N 3.06Å; D331-F335 WeakPolarHBondContact O-CB 3.07Å; D331-F335 PolarHBondContact O-N 3.01Å; D331-N385 PolarHBondContact OD2-ND2 2.9Å; D331-N385 PolarHBondContact OD2-OD1 3.27Å; D331-R453 IonicContact OD1-CZ 3.85Å; D331-R453 IonicContact OD1-NH1 2.82Å; D331-R453 PolarHBondContact OD1-NH1 3.39Å; D331-R453 IonicContact OD1-NH2 3.14Å; D331-R453 IonicContact OD2-NH1 2.99Å
332	I	97.3	Very high	95.1	Very high	7 Å²	7	38.4 Å²	38.4	4%	0.036	17%	0.173	C	C	.	.	H	α-helix	trans	-64.3	-45.1	175.3	-61.1	159.8	0	0	0	110.1	I256 N327 R328 F335 F336 A378 T379	I256-I332 HydrophobicContact CD1-CG2 4.39Å; I256-I332 HydrophobicContact CG2-CG2 3.71Å; N327-I332 HydrophobicContact CB-CD1 4.01Å; N327-I332 HydrophobicContact CB-CG1 3.68Å; R328-I332 WeakPolarHBondContact O-CD1 3.47Å; R328-I332 VanDerWaalsContact O-CG1 3.29Å; R328-I332 WeakPolarHBondContact O-CG1 3.35Å; R328-I332 PolarHBondContact O-N 3.11Å; I332-F335 WeakPolarHBondContact O-CB 3.31Å; I332-F335 PolarHBondContact O-N 3.38Å; I332-F336 HydrophobicContact CG2-CD2 3.94Å; I332-F336 HydrophobicContact CG2-CE2 3.8Å; I332-F336 VanDerWaalsContact O-CD2 3.25Å; I332-F336 WeakPolarHBondContact O-CD2 3.32Å; I332-F336 PolarHBondContact O-N 2.67Å; I332-F336 VanDerWaalsContact O-N 3.14Å; I332-A378 HydrophobicContact CG2-CB 4.21Å; I332-T379 HydrophobicContact CD1-CG2 4.03Å
333	L	97	Very high	95	Very high	20 Å²	20	36.9 Å²	36.9	11%	0.105	17%	0.167	C	C	.	.	H	α-helix	trans	-60.8	-48.1	176.8	179.1	64.5	0	0	0	111.2	E249 L252 L253 I256 K329 E330 F335 F336 Q337	E249-L333 HydrophobicContact CB-CD2 4.21Å; L252-L333 HydrophobicContact CB-CD1 4.07Å; L252-L333 HydrophobicContact CD2-CD1 3.67Å; L252-L333 HydrophobicContact CG-CD1 3.8Å; L253-L333 HydrophobicContact CB-CD1 4.43Å; I256-L333 HydrophobicContact CD1-CD1 4.4Å; K329-L333 WeakPolarHBondContact O-CB 3.31Å; K329-L333 PolarHBondContact O-N 3.39Å; E330-L333 PolarHBondContact O-N 3.2Å; L333-F335 VanDerWaalsContact C-N 3.31Å; L333-F335 PolarHBondContact O-N 2.68Å; L333-F336 PolarHBondContact O-N 2.91Å; L333-Q337 WeakPolarHBondContact O-CG 3.3Å; L333-Q337 PolarHBondContact O-N 3.33Å
334	S	95.9	Very high	94.9	Very high	45 Å²	45	38.2 Å²	38.2	32%	0.315	18%	0.176	S	C	.	.	H	α-helix	trans	-58.3	-42.8	176.4	-65.5	0	0	0	0	111.9	E330 D331 F336 Q337 I338	E330-S334 PolarHBondContact O-N 3.21Å; E330-S334 PolarHBondContact O-OG 3.23Å; D331-S334 PolarHBondContact O-N 3.06Å; S334-F336 VanDerWaalsContact C-N 3.35Å; S334-F336 PolarHBondContact O-N 3.19Å; S334-Q337 PolarHBondContact O-N 3.4Å; S334-I338 WeakPolarHBondContact O-CB 3.2Å; S334-I338 VanDerWaalsContact O-CD1 3.27Å; S334-I338 WeakPolarHBondContact O-CD1 3.36Å; S334-I338 WeakPolarHBondContact O-CG1 3.38Å; S334-I338 PolarHBondContact O-N 3.3Å
335	F	97.6	Very high	94.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-55.9	-46.6	175.5	166.9	-97.5	0	0	0	112.5	D331 I332 L333 I338 T339 L341 A378 L384 V455 L458 I473 L477	D331-F335 WeakPolarHBondContact O-CB 3.07Å; D331-F335 PolarHBondContact O-N 3.01Å; I332-F335 WeakPolarHBondContact O-CB 3.31Å; I332-F335 PolarHBondContact O-N 3.38Å; L333-F335 VanDerWaalsContact C-N 3.31Å; L333-F335 PolarHBondContact O-N 2.68Å; F335-I338 PolarHBondContact O-N 3.05Å; F335-T339 HydrophobicContact CD2-CG2 3.88Å; F335-T339 HydrophobicContact CE2-CG2 3.54Å; F335-T339 HydrophobicContact CZ-CG2 4.04Å; F335-T339 WeakPolarHBondContact O-CB 3.42Å; F335-T339 WeakPolarHBondContact O-CG2 3.48Å; F335-T339 PolarHBondContact O-N 2.91Å; F335-T339 PolarHBondContact O-OG1 2.68Å; F335-L341 HydrophobicContact CE1-CD1 4.41Å; F335-L341 HydrophobicContact CZ-CD1 3.95Å; F335-A378 HydrophobicContact CD1-CB 3.82Å; F335-A378 HydrophobicContact CE1-CB 3.9Å; F335-L384 HydrophobicContact CB-CD1 3.83Å; F335-L384 HydrophobicContact CB-CD2 4.45Å; F335-L384 HydrophobicContact CD2-CD2 3.8Å; F335-L384 HydrophobicContact CE2-CD2 4.38Å; F335-L384 HydrophobicContact CG-CD1 4.16Å; F335-L384 HydrophobicContact CG-CD2 4.21Å; F335-V455 HydrophobicContact CB-CG2 4.36Å; F335-L458 HydrophobicContact CD2-CD1 3.96Å; F335-L458 HydrophobicContact CE2-CD1 4.21Å; F335-I473 HydrophobicContact CE2-CD1 4.19Å; F335-I473 HydrophobicContact CZ-CD1 3.73Å; F335-L477 HydrophobicContact CE2-CD1 3.8Å; F335-L477 HydrophobicContact CZ-CD1 4.31Å
336	F	96.8	Very high	94.6	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-69.1	-34.1	177.5	-79	-68.1	0	0	0	113.3	L252 I256 I332 L333 S334 R340 L341 P343 I374 A375 A378	L252-F336 HydrophobicContact CD2-CB 4.15Å; I256-F336 HydrophobicContact CD1-CB 4.31Å; I256-F336 HydrophobicContact CD1-CD2 3.41Å; I256-F336 VanDerWaalsContact CD1-CD2 3.41Å; I256-F336 HydrophobicContact CD1-CE2 4.08Å; I256-F336 HydrophobicContact CD1-CG 4.08Å; I256-F336 HydrophobicContact CG1-CD2 3.79Å; I256-F336 HydrophobicContact CG1-CE2 3.99Å; I256-F336 HydrophobicContact CG1-CG 4.48Å; I256-F336 HydrophobicContact CG2-CE2 4.49Å; I332-F336 HydrophobicContact CG2-CD2 3.94Å; I332-F336 HydrophobicContact CG2-CE2 3.8Å; I332-F336 VanDerWaalsContact O-CD2 3.25Å; I332-F336 WeakPolarHBondContact O-CD2 3.32Å; I332-F336 PolarHBondContact O-N 2.67Å; I332-F336 VanDerWaalsContact O-N 3.14Å; L333-F336 PolarHBondContact O-N 2.91Å; S334-F336 VanDerWaalsContact C-N 3.35Å; S334-F336 PolarHBondContact O-N 3.19Å; F336-R340 WeakPolarHBondContact O-CA 3.3Å; F336-R340 PolarHBondContact O-N 2.89Å; F336-L341 HydrophobicContact CD1-CB 4.24Å; F336-L341 WeakPolarHBondContact CD1-O 3.24Å; F336-L341 HydrophobicContact CE1-CB 4.22Å; F336-P343 HydrophobicContact CD1-CB 4.21Å; F336-P343 HydrophobicContact CE1-CB 3.86Å; F336-P343 HydrophobicContact CE2-CB 4.31Å; F336-P343 HydrophobicContact CZ-CB 3.94Å; F336-I374 HydrophobicContact CE1-CG1 4.23Å; F336-I374 HydrophobicContact CE1-CG2 3.77Å; F336-I374 HydrophobicContact CZ-CG1 4.3Å; F336-I374 HydrophobicContact CZ-CG2 3.99Å; F336-A375 HydrophobicContact CE2-CB 4.38Å; F336-A375 HydrophobicContact CZ-CB 4.18Å; F336-A378 HydrophobicContact CE2-CB 3.94Å; F336-A378 HydrophobicContact CZ-CB 4.17Å
337	Q	95.4	Very high	94.5	Very high	79 Å²	79	39 Å²	39	37%	0.369	18%	0.178	S	C	.	.	H	α-helix	trans	-65.7	-40	174.5	-71.1	173.9	-37.2	0	0	112.2	E249 L252 L333 S334	E249-Q337 PolarHBondContact OE1-NE2 3.27Å; L252-Q337 HydrophobicContact CD2-CG 4.17Å; L333-Q337 WeakPolarHBondContact O-CG 3.3Å; L333-Q337 PolarHBondContact O-N 3.33Å; S334-Q337 PolarHBondContact O-N 3.4Å
338	I	95.7	Very high	94.3	Very high	31 Å²	31	41.4 Å²	41.4	16%	0.159	19%	0.188	C	C	.	.	H	α-helix	trans	-72.7	-50.4	-178.8	-68	159.1	0	0	0	110.9	S334 F335 V455 L458 A459	S334-I338 WeakPolarHBondContact O-CB 3.2Å; S334-I338 VanDerWaalsContact O-CD1 3.27Å; S334-I338 WeakPolarHBondContact O-CD1 3.36Å; S334-I338 WeakPolarHBondContact O-CG1 3.38Å; S334-I338 PolarHBondContact O-N 3.3Å; F335-I338 PolarHBondContact O-N 3.05Å; I338-V455 HydrophobicContact CD1-CG2 4.07Å; I338-V455 WeakPolarHBondContact CD1-O 3.36Å; I338-L458 HydrophobicContact CG2-CB 3.92Å; I338-L458 WeakPolarHBondContact CG2-O 3.47Å; I338-A459 HydrophobicContact CD1-CB 3.64Å; I338-A459 HydrophobicContact CG1-CB 4.16Å
339	T	95.2	Very high	94.2	Very high	2 Å²	2	37 Å²	37	1%	0.012	17%	0.172	C	C	.	.	H	α-helix	trans	-81	-20.9	-174	60.5	0	0	0	0	113.5	F335 L341 L468	F335-T339 HydrophobicContact CD2-CG2 3.88Å; F335-T339 HydrophobicContact CE2-CG2 3.54Å; F335-T339 HydrophobicContact CZ-CG2 4.04Å; F335-T339 WeakPolarHBondContact O-CB 3.42Å; F335-T339 WeakPolarHBondContact O-CG2 3.48Å; F335-T339 PolarHBondContact O-N 2.91Å; F335-T339 PolarHBondContact O-OG1 2.68Å; T339-L341 HydrophobicContact CG2-CD1 4.45Å; T339-L341 PolarHBondContact O-N 3.22Å; T339-L341 VanDerWaalsContact O-N 3.09Å; T339-L468 HydrophobicContact CG2-CD1 3.91Å
340	R	92.2	Very high	93.9	Very high	182 Å²	182	32.8 Å²	32.8	69%	0.687	16%	0.157	S	C	*	.			trans	57.7	16.4	-174.3	-51.8	-179.3	178.3	172.2	-0.6	114.1	F336	F336-R340 WeakPolarHBondContact O-CA 3.3Å; F336-R340 PolarHBondContact O-N 2.89Å
341	L	92.7	Very high	93.7	Very high	12 Å²	12	31.4 Å²	31.4	6%	0.063	15%	0.151	C	C	.	.			trans	-62.9	146.7	172.7	-70.4	170.1	0	0	0	109.8	F335 F336 T339 I374 L468 I473	F335-L341 HydrophobicContact CE1-CD1 4.41Å; F335-L341 HydrophobicContact CZ-CD1 3.95Å; F336-L341 HydrophobicContact CD1-CB 4.24Å; F336-L341 WeakPolarHBondContact CD1-O 3.24Å; F336-L341 HydrophobicContact CE1-CB 4.22Å; T339-L341 HydrophobicContact CG2-CD1 4.45Å; T339-L341 PolarHBondContact O-N 3.22Å; T339-L341 VanDerWaalsContact O-N 3.09Å; L341-I374 HydrophobicContact CD1-CG1 4.25Å; L341-L468 WeakPolarHBondContact CD2-O 3.44Å; L341-I473 HydrophobicContact CD1-CD1 3.73Å
342	N	91.7	Very high	93.1	Very high	11 Å²	11	33.5 Å²	33.5	6%	0.059	17%	0.165	C	C	.	.			trans	-84.1	119.7	175.8	167.7	2.2	0	0	0	108.4	L244 T344 E345 I374	L244-N342 HydrophobicContact CD1-CB 4.29Å; N342-T344 VanDerWaalsContact CG-OG1 3.24Å; N342-T344 PolarHBondContact ND2-OG1 2.92Å; N342-T344 VanDerWaalsContact ND2-OG1 3.16Å; N342-T344 PolarHBondContact O-N 3.17Å; N342-T344 WeakPolarHBondContact OD1-CB 3.45Å; N342-T344 PolarHBondContact OD1-N 2.74Å; N342-T344 PolarHBondContact OD1-OG1 2.63Å; N342-E345 HydrophobicContact CB-CG 3.82Å; N342-E345 PolarHBondContact N-OE2 2.77Å; N342-E345 PolarHBondContact O-N 2.87Å; N342-I374 WeakPolarHBondContact O-CG2 3.49Å
343	P	94.1	Very high	92.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-20.2	-175.5	24.8	-35.3	0	0	0	114	L252 Q255 I256 F336 A375	L252-P343 HydrophobicContact CD1-CG 3.98Å; Q255-P343 HydrophobicContact CB-CG 4.44Å; I256-P343 HydrophobicContact CG1-CB 3.78Å; I256-P343 HydrophobicContact CG1-CG 4.23Å; F336-P343 HydrophobicContact CD1-CB 4.21Å; F336-P343 HydrophobicContact CE1-CB 3.86Å; F336-P343 HydrophobicContact CE2-CB 4.31Å; F336-P343 HydrophobicContact CZ-CB 3.94Å; P343-A375 HydrophobicContact CB-CB 3.97Å; P343-A375 VanDerWaalsContact O-CB 3.3Å; P343-A375 WeakPolarHBondContact O-CB 3.42Å; P343-A375 PolarHBondContact O-N 3.16Å
344	T	92.6	Very high	91.8	Very high	28 Å²	28	39.3 Å²	39.3	17%	0.172	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-8.8	-179.9	67.4	0	0	0	0	114	N342 R346	N342-T344 VanDerWaalsContact CG-OG1 3.24Å; N342-T344 PolarHBondContact ND2-OG1 2.92Å; N342-T344 VanDerWaalsContact ND2-OG1 3.16Å; N342-T344 PolarHBondContact O-N 3.17Å; N342-T344 WeakPolarHBondContact OD1-CB 3.45Å; N342-T344 PolarHBondContact OD1-N 2.74Å; N342-T344 PolarHBondContact OD1-OG1 2.63Å; T344-R346 VanDerWaalsContact O-CG 3.29Å; T344-R346 WeakPolarHBondContact O-CG 3.15Å
345	E	92.5	Very high	91.5	Very high	49 Å²	49	37.9 Å²	37.9	23%	0.229	19%	0.19	C	C	.	.			trans	-64.9	137.7	175.8	-66.6	177.1	124.2	0	0	110.3	N342 S373 I374 L470	N342-E345 HydrophobicContact CB-CG 3.82Å; N342-E345 PolarHBondContact N-OE2 2.77Å; N342-E345 PolarHBondContact O-N 2.87Å; E345-S373 CarbonylContact O-C 3.49Å; E345-S373 VanDerWaalsContact O-CA 3.3Å; E345-S373 WeakPolarHBondContact O-CA 3.47Å; E345-I374 HydrophobicContact CB-CG2 4.46Å; E345-I374 PolarHBondContact O-N 3.1Å; E345-L470 HydrophobicContact CB-CD1 3.55Å; E345-L470 HydrophobicContact CG-CD1 4.42Å
346	R	92.7	Very high	91.1	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.015	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	145.3	-172.6	-50.5	-178.7	64.8	71.4	3.6	110.3	S236 L238 D263 S267 T344 D371 V372	S236-R346 PolarHBondContact N-O 3.41Å; S236-R346 PolarHBondContact O-N 3.1Å; L238-R346 VanDerWaalsContact CD1-CD 3.45Å; L238-R346 HydrophobicContact CD1-CG 4.47Å; D263-R346 IonicContact OD1-CZ 3.06Å; D263-R346 IonicContact OD1-NH1 3.73Å; D263-R346 PolarHBondContact OD1-NH1 3.48Å; D263-R346 IonicContact OD1-NH2 2.89Å; D263-R346 PolarHBondContact OD1-NH2 3.33Å; D263-R346 IonicContact OD2-NH1 3.71Å; S267-R346 PolarHBondContact OG-NH2 3.19Å; T344-R346 VanDerWaalsContact O-CG 3.29Å; T344-R346 WeakPolarHBondContact O-CG 3.15Å; R346-D371 HydrophobicContact CB-CB 4.26Å; R346-D371 WeakPolarHBondContact CB-OD2 3.35Å; R346-D371 WeakPolarHBondContact CD-OD2 3.48Å; R346-D371 IonicContact CZ-OD1 3.35Å; R346-D371 IonicContact CZ-OD2 3.81Å; R346-D371 IonicContact NE-OD1 2.61Å; R346-D371 PolarHBondContact NE-OD1 3Å; R346-D371 IonicContact NE-OD2 2.96Å; R346-D371 PolarHBondContact NE-OD2 2.93Å; R346-D371 PolarHBondContact NH2-O 3.35Å; R346-D371 IonicContact NH2-OD1 3.67Å; R346-D371 PolarHBondContact NH2-OD1 3.16Å; R346-V372 CarbonylContact C-O 3.53Å; R346-V372 VanDerWaalsContact CA-O 3.31Å; R346-V372 WeakPolarHBondContact CA-O 3.41Å
347	V	92.6	Very high	90.6	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.012	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	140	176.7	-64.9	0	0	0	0	110.2	V233 I234 I349 D371 V372 L377 L470	V233-V347 HydrophobicContact CG1-CB 3.87Å; V233-V347 HydrophobicContact CG1-CG1 3.7Å; I234-V347 WeakPolarHBondContact O-CA 3.36Å; V347-I349 HydrophobicContact CB-CG1 4.45Å; V347-I349 HydrophobicContact CG2-CD1 4.04Å; V347-I349 HydrophobicContact CG2-CG1 4.03Å; V347-D371 CarbonylContact O-C 3.59Å; V347-D371 WeakPolarHBondContact O-CA 3.19Å; V347-V372 HydrophobicContact CG2-CG1 3.98Å; V347-V372 PolarHBondContact N-O 3.16Å; V347-V372 PolarHBondContact O-N 2.66Å; V347-L377 HydrophobicContact CG2-CD1 3.72Å; V347-L470 HydrophobicContact CG1-CB 3.76Å; V347-L470 HydrophobicContact CG1-CD1 3.67Å; V347-L470 HydrophobicContact CG1-CD2 3.98Å; V347-L470 HydrophobicContact CG1-CG 4.01Å
348	K	92.1	Very high	90.2	Very high	53 Å²	53	38.5 Å²	38.5	23%	0.23	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	123.3	162	-172.4	173.9	-178	173	0	107.8	I234 D369 D371	I234-K348 HydrophobicContact CB-CB 4.38Å; I234-K348 PolarHBondContact N-O 2.95Å; I234-K348 PolarHBondContact O-N 3.48Å; K348-D369 WeakPolarHBondContact CE-OD1 3.25Å; K348-D369 IonicContact NZ-OD1 2.61Å; K348-D369 PolarHBondContact NZ-OD1 2.92Å; K348-D369 IonicContact NZ-OD2 3.11Å; K348-D369 PolarHBondContact NZ-OD2 3.41Å; K348-D371 HydrophobicContact CB-CB 4.38Å
349	I	90.6	Very high	89.7	Confident	12 Å²	12	37.9 Å²	37.9	6%	0.062	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	120.2	-175.3	-57.4	163.2	0	0	0	107.2	Y231 D232 V347 V358 L362 L474	Y231-I349 HydrophobicContact CG-CG2 4.2Å; D232-I349 WeakPolarHBondContact O-CA 3.43Å; V347-I349 HydrophobicContact CB-CG1 4.45Å; V347-I349 HydrophobicContact CG2-CD1 4.04Å; V347-I349 HydrophobicContact CG2-CG1 4.03Å; I349-V358 HydrophobicContact CG2-CG2 4.31Å; I349-L362 HydrophobicContact CD1-CD1 3.74Å; I349-L474 HydrophobicContact CD1-CD1 3.7Å; I349-L474 HydrophobicContact CG1-CD1 3.98Å; I349-L474 HydrophobicContact CG2-CD1 4.33Å
350	T	88.9	Confident	89	Confident	40 Å²	40	42.4 Å²	42.4	25%	0.245	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	147.4	177.8	50.4	0	0	0	0	110.9	D232 C352	D232-T350 VanDerWaalsContact CB-OG1 3.32Å; D232-T350 WeakPolarHBondContact CB-OG1 3.46Å; D232-T350 PolarHBondContact N-O 3.14Å; D232-T350 PolarHBondContact O-N 3.12Å; T350-C352 PolarHBondContact O-N 2.89Å
351	Q	89.2	Confident	88.7	Confident	71 Å²	71	34.3 Å²	34.3	33%	0.332	19%	0.189	S	C	.	.			trans	-62.9	115.8	174.8	177	172.1	29.2	0	0	111.3	H353 P354 V358 E366	Q351-H353 VanDerWaalsContact CG-O 3.26Å; Q351-H353 WeakPolarHBondContact CG-O 3.29Å; Q351-H353 PolarHBondContact NE2-O 3.37Å; Q351-P354 PolarHBondContact NE2-O 2.89Å; Q351-V358 HydrophobicContact CB-CG2 4.31Å; Q351-E366 PolarHBondContact N-OE1 3.42Å; Q351-E366 VanDerWaalsContact N-OE1 3.12Å
352	C	83	Confident	88.5	Confident	55 Å²	55	33.8 Å²	33.8	37%	0.372	19%	0.186	S	C	.	.	S	Bend	trans	-80.9	-29.1	173.1	71.8	0	0	0	0	112.1	K230 D232 T350	K230-C352 PolarHBondContact O-SG 3.05Å; D232-C352 WeakPolarHBondContact OD2-CB 3.4Å; T350-C352 PolarHBondContact O-N 2.89Å
353	H	82.3	Confident	88	Confident	45 Å²	45	39.2 Å²	39.2	21%	0.208	21%	0.206	C	C	.	.	S	Bend	trans	-141.2	134.3	-170.6	-175.8	-74.1	0	0	0	111.7	Y42 Q351 N355 F356	Y42-H353 AromaticContact CE1-NE2 3.52Å; Y42-H353 AromaticContact CE2-CE1 3.96Å; Y42-H353 AromaticContact CZ-CD2 3.78Å; Y42-H353 AromaticContact CZ-CE1 3.38Å; Y42-H353 AromaticContact CZ-NE2 3.17Å; Y42-H353 PolarHBondContact OH-CE1 2.87Å; Y42-H353 PolarHBondContact OH-NE2 3.46Å; Q351-H353 VanDerWaalsContact CG-O 3.26Å; Q351-H353 WeakPolarHBondContact CG-O 3.29Å; Q351-H353 PolarHBondContact NE2-O 3.37Å; H353-N355 PolarHBondContact CE1-N 3.06Å; H353-N355 VanDerWaalsContact CE1-N 3.3Å; H353-N355 PolarHBondContact CE1-ND2 3.01Å; H353-N355 VanDerWaalsContact CE1-ND2 3.34Å; H353-N355 VanDerWaalsContact ND1-CB 3.31Å; H353-N355 WeakPolarHBondContact ND1-CB 3.09Å; H353-N355 PolarHBondContact ND1-N 2.71Å; H353-N355 PolarHBondContact O-N 3.33Å; H353-F356 HydrophobicContact CB-CD2 4Å; H353-F356 AromaticContact ND1-CD2 3.93Å; H353-F356 CarbonylContact O-C 3.54Å; H353-F356 PolarHBondContact O-N 2.96Å
354	P	85	Confident	87.3	Confident	104 Å²	104	39.7 Å²	39.7	68%	0.675	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.3	-31.7	-179.4	-32.7	35.4	0	0	0	116.8	Q351	Q351-P354 PolarHBondContact NE2-O 2.89Å
355	N	89.5	Confident	87	Confident	16 Å²	16	38.8 Å²	38.8	9%	0.086	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-12.7	179.1	-71.6	-23	0	0	0	115.4	Y42 I60 R61 L62 H353 P357	Y42-N355 PolarHBondContact OH-ND2 2.78Å; I60-N355 PolarHBondContact O-ND2 2.68Å; R61-N355 WeakPolarHBondContact CA-ND2 3.32Å; R61-N355 VanDerWaalsContact CA-OD1 3.24Å; R61-N355 WeakPolarHBondContact CA-OD1 3.46Å; R61-N355 PolarHBondContact N-ND2 2.93Å; L62-N355 HydrophobicContact CB-CB 3.76Å; L62-N355 PolarHBondContact N-OD1 3Å; H353-N355 PolarHBondContact CE1-N 3.06Å; H353-N355 VanDerWaalsContact CE1-N 3.3Å; H353-N355 PolarHBondContact CE1-ND2 3.01Å; H353-N355 VanDerWaalsContact CE1-ND2 3.34Å; H353-N355 VanDerWaalsContact ND1-CB 3.31Å; H353-N355 WeakPolarHBondContact ND1-CB 3.09Å; H353-N355 PolarHBondContact ND1-N 2.71Å; H353-N355 PolarHBondContact O-N 3.33Å; N355-P357 VanDerWaalsContact O-CD 3.32Å; N355-P357 WeakPolarHBondContact O-CD 3.49Å
356	F	88.3	Confident	86.4	Confident	5 Å²	5	39.6 Å²	39.6	2%	0.022	21%	0.208	C	C	.	.	S	Bend	trans	-121.8	66	179.3	-57.5	-65.7	0	0	0	108.8	E35 A38 L39 Y42 L62 K230 Y231 H353	E35-F356 HydrophobicContact CB-CE1 3.96Å; E35-F356 HydrophobicContact CG-CD1 4.35Å; E35-F356 HydrophobicContact CG-CE1 4Å; A38-F356 HydrophobicContact CB-CE1 4.31Å; A38-F356 HydrophobicContact CB-CZ 3.72Å; L39-F356 HydrophobicContact CD1-CZ 4.49Å; L39-F356 HydrophobicContact CD2-CD2 4.28Å; L39-F356 HydrophobicContact CD2-CE1 4.35Å; L39-F356 HydrophobicContact CD2-CE2 3.43Å; L39-F356 VanDerWaalsContact CD2-CE2 3.43Å; L39-F356 HydrophobicContact CD2-CZ 3.47Å; L39-F356 VanDerWaalsContact CD2-CZ 3.47Å; L39-F356 HydrophobicContact CG-CE1 4.24Å; L39-F356 HydrophobicContact CG-CE2 4.07Å; L39-F356 HydrophobicContact CG-CZ 3.55Å; Y42-F356 HydrophobicContact CD2-CE2 4.45Å; Y42-F356 HydrophobicContact CE2-CE2 4.16Å; L62-F356 HydrophobicContact CD2-CD1 4.14Å; L62-F356 HydrophobicContact CD2-CE1 3.68Å; L62-F356 HydrophobicContact CD2-CZ 4.4Å; K230-F356 HydrophobicContact CD-CD1 4.19Å; K230-F356 HydrophobicContact CG-CB 3.96Å; K230-F356 HydrophobicContact CG-CD1 4.06Å; K230-F356 HydrophobicContact CG-CG 3.94Å; Y231-F356 HydrophobicContact CE1-CB 4.36Å; H353-F356 HydrophobicContact CB-CD2 4Å; H353-F356 AromaticContact ND1-CD2 3.93Å; H353-F356 CarbonylContact O-C 3.54Å; H353-F356 PolarHBondContact O-N 2.96Å
357	P	87.2	Confident	85.8	Confident	76 Å²	76	44.9 Å²	44.9	49%	0.494	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-60.6	151.3	175.4	29.3	-35.4	0	0	0	110.1	N355	N355-P357 VanDerWaalsContact O-CD 3.32Å; N355-P357 WeakPolarHBondContact O-CD 3.49Å
358	V	87.2	Confident	85.3	Confident	10 Å²	10	49.1 Å²	49.1	6%	0.061	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-55	131.8	174.3	176.5	0	0	0	0	108.8	I349 Q351 L362 E366	I349-V358 HydrophobicContact CG2-CG2 4.31Å; Q351-V358 HydrophobicContact CB-CG2 4.31Å; V358-L362 HydrophobicContact CG1-CB 3.62Å; V358-E366 HydrophobicContact CG2-CG 4.49Å; V358-E366 WeakPolarHBondContact CG2-OE1 3.39Å; V358-E366 WeakPolarHBondContact CG2-OE2 3.4Å
359	P	84	Confident	84.9	Confident	19 Å²	19	51.9 Å²	51.9	12%	0.123	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-50.6	143.1	-179.3	-29.9	34.8	0	0	0	112.4	Y231 L361 L362 R363 Y381	Y231-P359 WeakPolarHBondContact OH-CG 3.22Å; P359-L361 PolarHBondContact O-N 3.23Å; P359-L362 CarbonylContact O-C 3.53Å; P359-L362 WeakPolarHBondContact O-CA 3.4Å; P359-L362 PolarHBondContact O-N 2.94Å; P359-R363 PolarHBondContact O-N 2.9Å; P359-R363 VanDerWaalsContact O-N 3.1Å; P359-Y381 HydrophobicContact CB-CE2 3.91Å; P359-Y381 HydrophobicContact CG-CE2 4.15Å; P359-Y381 VanDerWaalsContact CG-OH 3.25Å; P359-Y381 WeakPolarHBondContact CG-OH 3.23Å
360	H	81.9	Confident	84.7	Confident	97 Å²	97	52.7 Å²	52.7	45%	0.449	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-53.2	-36.7	-173.2	-177	54	0	0	0	113.7	N276 L362 R363	N276-H360 PolarHBondContact OD1-NE2 2.72Å; H360-L362 PolarHBondContact O-N 2.73Å; H360-R363 WeakPolarHBondContact O-CB 3.19Å; H360-R363 PolarHBondContact O-N 2.89Å
361	L	85.3	Confident	84.9	Confident	11 Å²	11	53 Å²	53	6%	0.058	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-62.4	-27.7	177.7	-162.5	72.6	0	0	0	113.2	I273 P274 P359 W376 Y380 Y381 P480	I273-L361 HydrophobicContact CG2-CD1 3.58Å; I273-L361 HydrophobicContact CG2-CG 4.07Å; P274-L361 HydrophobicContact CB-CD1 4.42Å; P359-L361 PolarHBondContact O-N 3.23Å; L361-W376 HydrophobicContact CD2-CH2 4.41Å; L361-W376 HydrophobicContact CG-CH2 4.42Å; L361-Y380 VanDerWaalsContact CD2-O 3.27Å; L361-Y380 WeakPolarHBondContact CD2-O 3.42Å; L361-Y381 HydrophobicContact CB-CD2 4.44Å; L361-Y381 HydrophobicContact CD2-CD2 3.94Å; L361-P480 HydrophobicContact CB-CB 4.1Å; L361-P480 HydrophobicContact CD2-CB 3.78Å
362	L	87.7	Confident	85.1	Confident	1 Å²	1	49.7 Å²	49.7	1%	0.005	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-103.3	-5.1	-178.3	-58	179.4	0	0	0	112.7	I349 V358 P359 H360 A364 L365 W376 L377 Y381	I349-L362 HydrophobicContact CD1-CD1 3.74Å; V358-L362 HydrophobicContact CG1-CB 3.62Å; P359-L362 CarbonylContact O-C 3.53Å; P359-L362 WeakPolarHBondContact O-CA 3.4Å; P359-L362 PolarHBondContact O-N 2.94Å; H360-L362 PolarHBondContact O-N 2.73Å; L362-A364 PolarHBondContact O-N 3.2Å; L362-L365 HydrophobicContact CB-CD1 4.31Å; L362-L365 HydrophobicContact CD2-CD1 3.88Å; L362-L365 VanDerWaalsContact O-CB 3.27Å; L362-L365 WeakPolarHBondContact O-CB 3.36Å; L362-L365 PolarHBondContact O-N 2.85Å; L362-W376 HydrophobicContact CD2-CE3 4.5Å; L362-W376 HydrophobicContact CD2-CH2 4.21Å; L362-W376 HydrophobicContact CD2-CZ3 3.57Å; L362-L377 HydrophobicContact CD1-CD2 4.31Å; L362-L377 HydrophobicContact CD2-CD2 3.82Å; L362-Y381 HydrophobicContact CD1-CD2 3.68Å; L362-Y381 HydrophobicContact CD1-CE2 3.48Å; L362-Y381 VanDerWaalsContact CD1-CE2 3.48Å; L362-Y381 HydrophobicContact CD1-CG 4.39Å; L362-Y381 HydrophobicContact CD2-CD2 3.78Å; L362-Y381 HydrophobicContact CD2-CE2 4.36Å; L362-Y381 HydrophobicContact CD2-CG 4.42Å; L362-Y381 HydrophobicContact CG-CD2 3.63Å; L362-Y381 HydrophobicContact CG-CE2 3.7Å
363	R	81.3	Confident	85.7	Confident	126 Å²	126	47.1 Å²	47.1	48%	0.475	25%	0.246	S	C	.	.	H	α-helix	trans	-58	-35.2	-175.5	-173.5	177.9	175.2	149.5	6.6	113.2	P359 H360 L365 E366 E367	P359-R363 PolarHBondContact O-N 2.9Å; P359-R363 VanDerWaalsContact O-N 3.1Å; H360-R363 WeakPolarHBondContact O-CB 3.19Å; H360-R363 PolarHBondContact O-N 2.89Å; R363-L365 PolarHBondContact O-N 3.38Å; R363-E366 PolarHBondContact O-N 3.13Å; R363-E367 HydrophobicContact CG-CG 4.36Å; R363-E367 WeakPolarHBondContact CG-OE1 3.48Å; R363-E367 IonicContact CZ-OE1 2.84Å; R363-E367 IonicContact NE-OE1 3.06Å; R363-E367 PolarHBondContact NE-OE1 3.33Å; R363-E367 IonicContact NH2-OE1 3.2Å; R363-E367 WeakPolarHBondContact O-CG 3.41Å; R363-E367 PolarHBondContact O-N 2.88Å
364	A	80.6	Confident	86.3	Confident	10 Å²	10	45 Å²	45	8%	0.083	24%	0.236	C	C	.	.	H	α-helix	trans	-60.7	-30.5	175.5	0	0	0	0	0	113.1	F268 T275 L362 N368	F268-A364 HydrophobicContact CD1-CB 4.39Å; T275-A364 HydrophobicContact CG2-CB 3.66Å; L362-A364 PolarHBondContact O-N 3.2Å; A364-N368 VanDerWaalsContact O-CB 3.3Å; A364-N368 WeakPolarHBondContact O-CB 3.41Å; A364-N368 VanDerWaalsContact O-CG 3.31Å; A364-N368 PolarHBondContact O-N 3.03Å; A364-N368 VanDerWaalsContact O-N 3.11Å; A364-N368 PolarHBondContact O-ND2 3.11Å
365	L	84.8	Confident	86.8	Confident	9 Å²	9	40 Å²	40	5%	0.047	20%	0.204	C	C	.	.	H	α-helix	trans	-70.7	-43.8	177.9	-62.2	169.9	0	0	0	110.7	F268 L362 R363 N368 D369 C370 V372	F268-L365 HydrophobicContact CD1-CD2 4.37Å; F268-L365 HydrophobicContact CD2-CD2 4.49Å; F268-L365 HydrophobicContact CE1-CD1 4.32Å; F268-L365 HydrophobicContact CE1-CD2 3.78Å; F268-L365 HydrophobicContact CE1-CG 3.79Å; F268-L365 HydrophobicContact CE2-CD2 3.88Å; F268-L365 HydrophobicContact CZ-CD1 3.8Å; F268-L365 HydrophobicContact CZ-CD2 3.51Å; F268-L365 HydrophobicContact CZ-CG 3.67Å; L362-L365 HydrophobicContact CB-CD1 4.31Å; L362-L365 HydrophobicContact CD2-CD1 3.88Å; L362-L365 VanDerWaalsContact O-CB 3.27Å; L362-L365 WeakPolarHBondContact O-CB 3.36Å; L362-L365 PolarHBondContact O-N 2.85Å; R363-L365 PolarHBondContact O-N 3.38Å; L365-N368 PolarHBondContact O-N 3.47Å; L365-D369 PolarHBondContact O-N 3.17Å; L365-C370 HydrophobicContact CD2-CB 4.08Å; L365-C370 PolarHBondContact O-N 3.23Å; L365-V372 HydrophobicContact CD1-CB 3.58Å; L365-V372 HydrophobicContact CD1-CG1 3.51Å; L365-V372 HydrophobicContact CD1-CG2 4.15Å; L365-V372 HydrophobicContact CD2-CB 4.11Å; L365-V372 HydrophobicContact CG-CB 4.5Å
366	E	80.8	Confident	87.1	Confident	65 Å²	65	39.2 Å²	39.2	30%	0.304	20%	0.2	S	C	.	.	H	α-helix	trans	-64.1	-45.6	176.6	-173.4	175.5	-132.9	0	0	111	Q351 V358 R363 N368 D369	Q351-E366 PolarHBondContact N-OE1 3.42Å; Q351-E366 VanDerWaalsContact N-OE1 3.12Å; V358-E366 HydrophobicContact CG2-CG 4.49Å; V358-E366 WeakPolarHBondContact CG2-OE1 3.39Å; V358-E366 WeakPolarHBondContact CG2-OE2 3.4Å; R363-E366 PolarHBondContact O-N 3.13Å; E366-N368 VanDerWaalsContact C-N 3.32Å; E366-N368 PolarHBondContact O-N 3.02Å; E366-D369 PolarHBondContact O-N 2.84Å
367	E	80.5	Confident	87.5	Confident	116 Å²	116	39 Å²	39	54%	0.542	20%	0.199	S	C	.	.	H	α-helix	trans	-64	-33.9	179.7	-72.7	174.8	-178.9	0	0	113.1	R363	R363-E367 HydrophobicContact CG-CG 4.36Å; R363-E367 WeakPolarHBondContact CG-OE1 3.48Å; R363-E367 IonicContact CZ-OE1 2.84Å; R363-E367 IonicContact NE-OE1 3.06Å; R363-E367 PolarHBondContact NE-OE1 3.33Å; R363-E367 IonicContact NH2-OE1 3.2Å; R363-E367 WeakPolarHBondContact O-CG 3.41Å; R363-E367 PolarHBondContact O-N 2.88Å
368	N	80.6	Confident	88	Confident	91 Å²	91	35.4 Å²	35.4	49%	0.487	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	6.3	179	-64.2	-43.8	0	0	0	113.7	A364 L365 E366 C370	A364-N368 VanDerWaalsContact O-CB 3.3Å; A364-N368 WeakPolarHBondContact O-CB 3.41Å; A364-N368 VanDerWaalsContact O-CG 3.31Å; A364-N368 PolarHBondContact O-N 3.03Å; A364-N368 VanDerWaalsContact O-N 3.11Å; A364-N368 PolarHBondContact O-ND2 3.11Å; L365-N368 PolarHBondContact O-N 3.47Å; E366-N368 VanDerWaalsContact C-N 3.32Å; E366-N368 PolarHBondContact O-N 3.02Å; N368-C370 PolarHBondContact O-N 3.1Å; N368-C370 VanDerWaalsContact O-N 3.14Å; N368-C370 PolarHBondContact O-SG 3.03Å
369	D	83.7	Confident	88.5	Confident	110 Å²	110	35.6 Å²	35.6	59%	0.588	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	28.8	-176.4	-154.5	52.3	0	0	0	114.4	K348 L365 E366	K348-D369 WeakPolarHBondContact CE-OD1 3.25Å; K348-D369 IonicContact NZ-OD1 2.61Å; K348-D369 PolarHBondContact NZ-OD1 2.92Å; K348-D369 IonicContact NZ-OD2 3.11Å; K348-D369 PolarHBondContact NZ-OD2 3.41Å; L365-D369 PolarHBondContact O-N 3.17Å; E366-D369 PolarHBondContact O-N 2.84Å
370	C	88	Confident	88.9	Confident	30 Å²	30	36.8 Å²	36.8	20%	0.203	18%	0.179	C	C	.	.			trans	-93.1	148.2	-174.4	-69.8	0	0	0	0	112.4	L365 N368	L365-C370 HydrophobicContact CD2-CB 4.08Å; L365-C370 PolarHBondContact O-N 3.23Å; N368-C370 PolarHBondContact O-N 3.1Å; N368-C370 VanDerWaalsContact O-N 3.14Å; N368-C370 PolarHBondContact O-SG 3.03Å
371	D	91.7	Very high	89.6	Confident	47 Å²	47	32.7 Å²	32.7	25%	0.251	16%	0.16	S	C	.	.			trans	-88.9	166.2	165.1	66.3	-2.1	0	0	0	111.1	S267 R346 V347 K348	S267-D371 WeakPolarHBondContact CB-O 3.33Å; S267-D371 PolarHBondContact OG-O 3.36Å; R346-D371 HydrophobicContact CB-CB 4.26Å; R346-D371 WeakPolarHBondContact CB-OD2 3.35Å; R346-D371 WeakPolarHBondContact CD-OD2 3.48Å; R346-D371 IonicContact CZ-OD1 3.35Å; R346-D371 IonicContact CZ-OD2 3.81Å; R346-D371 IonicContact NE-OD1 2.61Å; R346-D371 PolarHBondContact NE-OD1 3Å; R346-D371 IonicContact NE-OD2 2.96Å; R346-D371 PolarHBondContact NE-OD2 2.93Å; R346-D371 PolarHBondContact NH2-O 3.35Å; R346-D371 IonicContact NH2-OD1 3.67Å; R346-D371 PolarHBondContact NH2-OD1 3.16Å; V347-D371 CarbonylContact O-C 3.59Å; V347-D371 WeakPolarHBondContact O-CA 3.19Å; K348-D371 HydrophobicContact CB-CB 4.38Å
372	V	93.7	Very high	90.1	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	142.8	178.2	66.9	0	0	0	0	110.6	F268 R346 V347 L365 W376 L377	F268-V372 HydrophobicContact CE2-CG2 4.05Å; F268-V372 HydrophobicContact CZ-CG2 4.39Å; R346-V372 CarbonylContact C-O 3.53Å; R346-V372 VanDerWaalsContact CA-O 3.31Å; R346-V372 WeakPolarHBondContact CA-O 3.41Å; V347-V372 HydrophobicContact CG2-CG1 3.98Å; V347-V372 PolarHBondContact N-O 3.16Å; V347-V372 PolarHBondContact O-N 2.66Å; L365-V372 HydrophobicContact CD1-CB 3.58Å; L365-V372 HydrophobicContact CD1-CG1 3.51Å; L365-V372 HydrophobicContact CD1-CG2 4.15Å; L365-V372 HydrophobicContact CD2-CB 4.11Å; L365-V372 HydrophobicContact CG-CB 4.5Å; V372-W376 HydrophobicContact CG2-CB 3.62Å; V372-W376 HydrophobicContact CG2-CD2 3.64Å; V372-W376 HydrophobicContact CG2-CE3 3.53Å; V372-W376 HydrophobicContact CG2-CG 3.67Å; V372-W376 HydrophobicContact CG2-CZ3 4.48Å; V372-L377 HydrophobicContact CG1-CD1 4.42Å; V372-L377 HydrophobicContact CG1-CD2 4.16Å; V372-L377 HydrophobicContact CG1-CG 4.17Å
373	S	95	Very high	90.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	155.4	176.3	72.7	0	0	0	0	113.2	Q259 D263 E345 A375 W376 L377	Q259-S373 WeakPolarHBondContact CG-OG 3.38Å; D263-S373 PolarHBondContact OD1-N 2.98Å; D263-S373 WeakPolarHBondContact OD2-CB 3.26Å; D263-S373 PolarHBondContact OD2-OG 3.41Å; E345-S373 CarbonylContact O-C 3.49Å; E345-S373 VanDerWaalsContact O-CA 3.3Å; E345-S373 WeakPolarHBondContact O-CA 3.47Å; S373-A375 PolarHBondContact O-N 2.96Å; S373-A375 PolarHBondContact OG-N 3.2Å; S373-W376 PolarHBondContact O-N 3.46Å; S373-W376 PolarHBondContact OG-N 3.38Å; S373-L377 PolarHBondContact O-N 2.88Å; S373-L377 VanDerWaalsContact O-N 3.13Å
374	I	95.3	Very high	91.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63.3	-29.5	168.4	-171.1	58.8	0	0	0	112.5	F336 L341 N342 E345 W376 L377 A378 F382 L470 I473	F336-I374 HydrophobicContact CE1-CG1 4.23Å; F336-I374 HydrophobicContact CE1-CG2 3.77Å; F336-I374 HydrophobicContact CZ-CG1 4.3Å; F336-I374 HydrophobicContact CZ-CG2 3.99Å; L341-I374 HydrophobicContact CD1-CG1 4.25Å; N342-I374 WeakPolarHBondContact O-CG2 3.49Å; E345-I374 HydrophobicContact CB-CG2 4.46Å; E345-I374 PolarHBondContact O-N 3.1Å; I374-W376 VanDerWaalsContact C-N 3.31Å; I374-W376 PolarHBondContact O-N 2.89Å; I374-L377 HydrophobicContact CD1-CB 4.28Å; I374-L377 HydrophobicContact CD1-CD1 4.19Å; I374-L377 PolarHBondContact O-N 3.44Å; I374-A378 WeakPolarHBondContact O-CB 3.33Å; I374-A378 PolarHBondContact O-N 2.76Å; I374-F382 HydrophobicContact CD1-CE2 3.72Å; I374-F382 HydrophobicContact CD1-CZ 4.45Å; I374-L470 HydrophobicContact CB-CD2 3.77Å; I374-L470 HydrophobicContact CD1-CD2 3.6Å; I374-L470 HydrophobicContact CG1-CD2 3.75Å; I374-I473 HydrophobicContact CD1-CD1 4.21Å
375	A	96.8	Very high	91.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61	-41.5	173.1	0	0	0	0	0	111.8	I256 Q259 V260 F336 P343 S373 T379	I256-A375 HydrophobicContact CG2-CB 4.27Å; Q259-A375 HydrophobicContact CB-CB 4.14Å; Q259-A375 HydrophobicContact CG-CB 4.05Å; V260-A375 HydrophobicContact CG2-CB 4.03Å; F336-A375 HydrophobicContact CE2-CB 4.38Å; F336-A375 HydrophobicContact CZ-CB 4.18Å; P343-A375 HydrophobicContact CB-CB 3.97Å; P343-A375 VanDerWaalsContact O-CB 3.3Å; P343-A375 WeakPolarHBondContact O-CB 3.42Å; P343-A375 PolarHBondContact O-N 3.16Å; S373-A375 PolarHBondContact O-N 2.96Å; S373-A375 PolarHBondContact OG-N 3.2Å; A375-T379 WeakPolarHBondContact O-CB 3.33Å; A375-T379 PolarHBondContact O-N 3.01Å; A375-T379 VanDerWaalsContact O-N 3.1Å; A375-T379 PolarHBondContact O-OG1 2.96Å
376	W	96.1	Very high	92.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-67.5	-44.4	175.6	-171.4	99.3	0	0	0	111.5	D263 N264 F268 I273 L361 L362 V372 S373 I374 A378 T379 Y380	D263-W376 HydrophobicContact CB-CB 4.01Å; D263-W376 HydrophobicContact CB-CG 3.99Å; N264-W376 PolarHBondContact OD1-NE1 3.03Å; F268-W376 AromaticContact CD2-CE2 3.97Å; F268-W376 HydrophobicContact CD2-CZ2 4.29Å; F268-W376 AromaticContact CD2-NE1 3.71Å; F268-W376 HydrophobicContact CE1-CH2 4.22Å; F268-W376 HydrophobicContact CE1-CZ2 4.05Å; F268-W376 AromaticContact CE2-CD1 3.91Å; F268-W376 AromaticContact CE2-CD2 3.63Å; F268-W376 HydrophobicContact CE2-CD2 3.63Å; F268-W376 AromaticContact CE2-CE2 3.2Å; F268-W376 HydrophobicContact CE2-CE3 4.21Å; F268-W376 HydrophobicContact CE2-CG 4.11Å; F268-W376 HydrophobicContact CE2-CH2 4.12Å; F268-W376 AromaticContact CE2-CZ2 3.52Å; F268-W376 HydrophobicContact CE2-CZ2 3.52Å; F268-W376 HydrophobicContact CE2-CZ3 4.43Å; F268-W376 AromaticContact CE2-NE1 3.35Å; F268-W376 AromaticContact CZ-CD2 3.98Å; F268-W376 HydrophobicContact CZ-CD2 3.98Å; F268-W376 AromaticContact CZ-CE2 3.54Å; F268-W376 HydrophobicContact CZ-CE3 4.13Å; F268-W376 AromaticContact CZ-CH2 3.54Å; F268-W376 HydrophobicContact CZ-CH2 3.54Å; F268-W376 AromaticContact CZ-CZ2 3.35Å; F268-W376 HydrophobicContact CZ-CZ2 3.35Å; F268-W376 AromaticContact CZ-CZ3 3.93Å; F268-W376 HydrophobicContact CZ-CZ3 3.93Å; I273-W376 HydrophobicContact CD1-CH2 4.49Å; I273-W376 HydrophobicContact CD1-CZ2 3.5Å; I273-W376 VanDerWaalsContact CD1-CZ2 3.5Å; I273-W376 HydrophobicContact CG2-CH2 4.43Å; I273-W376 HydrophobicContact CG2-CZ2 4.31Å; L361-W376 HydrophobicContact CD2-CH2 4.41Å; L361-W376 HydrophobicContact CG-CH2 4.42Å; L362-W376 HydrophobicContact CD2-CE3 4.5Å; L362-W376 HydrophobicContact CD2-CH2 4.21Å; L362-W376 HydrophobicContact CD2-CZ3 3.57Å; V372-W376 HydrophobicContact CG2-CB 3.62Å; V372-W376 HydrophobicContact CG2-CD2 3.64Å; V372-W376 HydrophobicContact CG2-CE3 3.53Å; V372-W376 HydrophobicContact CG2-CG 3.67Å; V372-W376 HydrophobicContact CG2-CZ3 4.48Å; S373-W376 PolarHBondContact O-N 3.46Å; S373-W376 PolarHBondContact OG-N 3.38Å; I374-W376 VanDerWaalsContact C-N 3.31Å; I374-W376 PolarHBondContact O-N 2.89Å; W376-A378 PolarHBondContact O-N 3.44Å; W376-T379 PolarHBondContact O-N 3.44Å; W376-Y380 AromaticContact CD1-CD2 3.68Å; W376-Y380 AromaticContact CD1-CE2 3.84Å; W376-Y380 AromaticContact CD2-CD2 3.85Å; W376-Y380 HydrophobicContact CD2-CD2 3.85Å; W376-Y380 HydrophobicContact CD2-CG 4.48Å; W376-Y380 AromaticContact CE2-CD2 3.38Å; W376-Y380 AromaticContact CE2-CG 3.87Å; W376-Y380 AromaticContact CG-CD2 3.98Å; W376-Y380 HydrophobicContact CG-CD2 3.98Å; W376-Y380 HydrophobicContact CH2-CG 4.36Å; W376-Y380 AromaticContact CZ2-CD2 3.8Å; W376-Y380 HydrophobicContact CZ2-CD2 3.8Å; W376-Y380 AromaticContact CZ2-CG 3.77Å; W376-Y380 HydrophobicContact CZ2-CG 3.77Å; W376-Y380 AromaticContact NE1-CD2 3.32Å; W376-Y380 VanDerWaalsContact NE1-CD2 3.32Å; W376-Y380 AromaticContact NE1-CE2 3.55Å; W376-Y380 PolarHBondContact O-N 3.13Å
377	L	96.2	Very high	92.6	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	15%	0.15	C	C	.	.	I	π-helix	trans	-59.9	-43.2	176.1	-68.2	174.3	0	0	0	112.2	V347 L362 V372 S373 I374 T379 Y381 F382	V347-L377 HydrophobicContact CG2-CD1 3.72Å; L362-L377 HydrophobicContact CD1-CD2 4.31Å; L362-L377 HydrophobicContact CD2-CD2 3.82Å; V372-L377 HydrophobicContact CG1-CD1 4.42Å; V372-L377 HydrophobicContact CG1-CD2 4.16Å; V372-L377 HydrophobicContact CG1-CG 4.17Å; S373-L377 PolarHBondContact O-N 2.88Å; S373-L377 VanDerWaalsContact O-N 3.13Å; I374-L377 HydrophobicContact CD1-CB 4.28Å; I374-L377 HydrophobicContact CD1-CD1 4.19Å; I374-L377 PolarHBondContact O-N 3.44Å; L377-T379 PolarHBondContact O-N 3.16Å; L377-Y381 HydrophobicContact CD2-CD1 4.37Å; L377-Y381 HydrophobicContact CD2-CG 4.03Å; L377-Y381 CarbonylContact O-C 3.47Å; L377-Y381 WeakPolarHBondContact O-CA 3.34Å; L377-Y381 WeakPolarHBondContact O-CB 3.39Å; L377-Y381 PolarHBondContact O-N 3.08Å; L377-F382 HydrophobicContact CB-CD2 4.07Å; L377-F382 HydrophobicContact CB-CE2 3.62Å; L377-F382 HydrophobicContact CB-CZ 4.21Å; L377-F382 HydrophobicContact CD1-CE2 4.44Å; L377-F382 HydrophobicContact CD1-CZ 4.4Å; L377-F382 PolarHBondContact O-N 3.23Å
378	A	97.5	Very high	93.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.125	C	C	.	.	I	π-helix	trans	-64.8	-26.7	174.8	0	0	0	0	0	113	N327 I332 F335 F336 I374 W376	N327-A378 PolarHBondContact ND2-O 3.37Å; I332-A378 HydrophobicContact CG2-CB 4.21Å; F335-A378 HydrophobicContact CD1-CB 3.82Å; F335-A378 HydrophobicContact CE1-CB 3.9Å; F336-A378 HydrophobicContact CE2-CB 3.94Å; F336-A378 HydrophobicContact CZ-CB 4.17Å; I374-A378 WeakPolarHBondContact O-CB 3.33Å; I374-A378 PolarHBondContact O-N 2.76Å; W376-A378 PolarHBondContact O-N 3.44Å
379	T	96.3	Very high	93.4	Very high	13 Å²	13	21.7 Å²	21.7	8%	0.08	12%	0.118	C	C	.	.	I	π-helix	trans	-82.8	-46.8	-179.2	-58.2	0	0	0	0	112.4	V260 T326 N327 I332 A375 W376 L377	V260-T379 HydrophobicContact CG1-CG2 4.4Å; V260-T379 WeakPolarHBondContact CG2-OG1 3.31Å; T326-T379 WeakPolarHBondContact CA-O 3.37Å; T326-T379 WeakPolarHBondContact CB-O 3.4Å; T326-T379 HydrophobicContact CG2-CG2 4.36Å; N327-T379 PolarHBondContact N-O 3Å; I332-T379 HydrophobicContact CD1-CG2 4.03Å; A375-T379 WeakPolarHBondContact O-CB 3.33Å; A375-T379 PolarHBondContact O-N 3.01Å; A375-T379 VanDerWaalsContact O-N 3.1Å; A375-T379 PolarHBondContact O-OG1 2.96Å; W376-T379 PolarHBondContact O-N 3.44Å; L377-T379 PolarHBondContact O-N 3.16Å
380	Y	94	Very high	93.5	Very high	45 Å²	45	17.9 Å²	17.9	18%	0.176	10%	0.096	C	C	.	.	I	π-helix	trans	-113.6	-23.4	-168.1	-67	-81.2	0	0	0	114.6	V260 N264 T326 L361 W376	V260-Y380 HydrophobicContact CG1-CE2 3.63Å; N264-Y380 PolarHBondContact ND2-OH 3.27Å; T326-Y380 HydrophobicContact CG2-CD1 3.49Å; T326-Y380 VanDerWaalsContact CG2-CD1 3.49Å; T326-Y380 HydrophobicContact CG2-CE1 3.25Å; T326-Y380 HydrophobicContact CG2-CG 4.43Å; L361-Y380 VanDerWaalsContact CD2-O 3.27Å; L361-Y380 WeakPolarHBondContact CD2-O 3.42Å; W376-Y380 AromaticContact CD1-CD2 3.68Å; W376-Y380 AromaticContact CD1-CE2 3.84Å; W376-Y380 AromaticContact CD2-CD2 3.85Å; W376-Y380 HydrophobicContact CD2-CD2 3.85Å; W376-Y380 HydrophobicContact CD2-CG 4.48Å; W376-Y380 AromaticContact CE2-CD2 3.38Å; W376-Y380 AromaticContact CE2-CG 3.87Å; W376-Y380 AromaticContact CG-CD2 3.98Å; W376-Y380 HydrophobicContact CG-CD2 3.98Å; W376-Y380 HydrophobicContact CH2-CG 4.36Å; W376-Y380 AromaticContact CZ2-CD2 3.8Å; W376-Y380 HydrophobicContact CZ2-CD2 3.8Å; W376-Y380 AromaticContact CZ2-CG 3.77Å; W376-Y380 HydrophobicContact CZ2-CG 3.77Å; W376-Y380 AromaticContact NE1-CD2 3.32Å; W376-Y380 VanDerWaalsContact NE1-CD2 3.32Å; W376-Y380 AromaticContact NE1-CE2 3.55Å; W376-Y380 PolarHBondContact O-N 3.13Å
381	Y	95	Very high	93.4	Very high	10 Å²	10	19.5 Å²	19.5	4%	0.039	11%	0.107	C	C	.	.	I	π-helix	trans	-106.3	-56.4	-169.5	-173.5	-88.6	0	0	0	113.1	P359 L361 L362 L377 D383 L474 G479 P480 I481	P359-Y381 HydrophobicContact CB-CE2 3.91Å; P359-Y381 HydrophobicContact CG-CE2 4.15Å; P359-Y381 VanDerWaalsContact CG-OH 3.25Å; P359-Y381 WeakPolarHBondContact CG-OH 3.23Å; L361-Y381 HydrophobicContact CB-CD2 4.44Å; L361-Y381 HydrophobicContact CD2-CD2 3.94Å; L362-Y381 HydrophobicContact CD1-CD2 3.68Å; L362-Y381 HydrophobicContact CD1-CE2 3.48Å; L362-Y381 VanDerWaalsContact CD1-CE2 3.48Å; L362-Y381 HydrophobicContact CD1-CG 4.39Å; L362-Y381 HydrophobicContact CD2-CD2 3.78Å; L362-Y381 HydrophobicContact CD2-CE2 4.36Å; L362-Y381 HydrophobicContact CD2-CG 4.42Å; L362-Y381 HydrophobicContact CG-CD2 3.63Å; L362-Y381 HydrophobicContact CG-CE2 3.7Å; L377-Y381 HydrophobicContact CD2-CD1 4.37Å; L377-Y381 HydrophobicContact CD2-CG 4.03Å; L377-Y381 CarbonylContact O-C 3.47Å; L377-Y381 WeakPolarHBondContact O-CA 3.34Å; L377-Y381 WeakPolarHBondContact O-CB 3.39Å; L377-Y381 PolarHBondContact O-N 3.08Å; Y381-D383 PolarHBondContact O-N 3.2Å; Y381-L474 HydrophobicContact CD1-CD2 4.33Å; Y381-L474 HydrophobicContact CE1-CD2 3.86Å; Y381-G479 WeakPolarHBondContact O-CA 3.34Å; Y381-P480 HydrophobicContact CD2-CB 3.94Å; Y381-P480 HydrophobicContact CE2-CB 3.81Å; Y381-P480 CarbonylContact O-C 3.58Å; Y381-P480 WeakPolarHBondContact O-CA 3.38Å; Y381-I481 PolarHBondContact O-N 2.96Å
382	F	96.2	Very high	93.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.097	C	C	.	.			trans	-71.4	129.6	-177.2	-63.2	-51.7	0	0	0	111.5	N327 I374 L377 L384 I473 L474 L477 P478 I481	N327-F382 PolarHBondContact ND2-O 2.96Å; I374-F382 HydrophobicContact CD1-CE2 3.72Å; I374-F382 HydrophobicContact CD1-CZ 4.45Å; L377-F382 HydrophobicContact CB-CD2 4.07Å; L377-F382 HydrophobicContact CB-CE2 3.62Å; L377-F382 HydrophobicContact CB-CZ 4.21Å; L377-F382 HydrophobicContact CD1-CE2 4.44Å; L377-F382 HydrophobicContact CD1-CZ 4.4Å; L377-F382 PolarHBondContact O-N 3.23Å; F382-L384 VanDerWaalsContact C-N 3.31Å; F382-L384 HydrophobicContact CB-CD2 4.06Å; F382-L384 HydrophobicContact CB-CG 4.32Å; F382-L384 PolarHBondContact O-N 3.3Å; F382-I473 HydrophobicContact CE2-CD1 4.23Å; F382-I473 HydrophobicContact CE2-CG1 4.38Å; F382-I473 HydrophobicContact CZ-CD1 4.37Å; F382-I473 HydrophobicContact CZ-CG1 4.04Å; F382-I473 HydrophobicContact CZ-CG2 3.92Å; F382-L474 HydrophobicContact CE1-CD2 3.83Å; F382-L474 HydrophobicContact CZ-CD2 3.96Å; F382-L477 HydrophobicContact CB-CD1 4.31Å; F382-L477 HydrophobicContact CD1-CB 3.5Å; F382-L477 VanDerWaalsContact CD1-CB 3.5Å; F382-L477 HydrophobicContact CD1-CD1 3.86Å; F382-L477 HydrophobicContact CD1-CG 4.31Å; F382-L477 HydrophobicContact CD2-CD1 3.86Å; F382-L477 HydrophobicContact CE1-CB 3.82Å; F382-L477 HydrophobicContact CE1-CD1 4.11Å; F382-L477 HydrophobicContact CE1-CG 4.47Å; F382-L477 HydrophobicContact CE2-CD1 4.12Å; F382-L477 HydrophobicContact CG-CB 4.14Å; F382-L477 HydrophobicContact CG-CD1 3.75Å; F382-L477 HydrophobicContact CZ-CD1 4.26Å; F382-P478 CarbonylContact C-O 3.57Å; F382-P478 WeakPolarHBondContact CA-O 3.33Å; F382-I481 WeakPolarHBondContact O-CD1 3.47Å; F382-I481 WeakPolarHBondContact O-CG1 3.12Å
383	D	95.1	Very high	93.6	Very high	35 Å²	35	17.5 Å²	17.5	19%	0.187	10%	0.096	C	C	.	.			trans	-85.3	76.4	173	-162.8	-11.2	0	0	0	110.5	Y381 N385 A386 P478 I481	Y381-D383 PolarHBondContact O-N 3.2Å; D383-N385 PolarHBondContact O-N 2.99Å; D383-N385 VanDerWaalsContact O-N 3.14Å; D383-N385 PolarHBondContact OD1-N 3.09Å; D383-A386 HydrophobicContact CB-CB 3.96Å; D383-A386 WeakPolarHBondContact O-CB 3.29Å; D383-A386 PolarHBondContact O-N 2.97Å; D383-A386 VanDerWaalsContact O-N 3.16Å; D383-A386 PolarHBondContact OD1-N 2.9Å; D383-P478 PolarHBondContact N-O 2.79Å; D383-I481 HydrophobicContact CB-CG1 4.2Å
384	L	96.1	Very high	93.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-20	179.6	-61.8	-178.9	0	0	0	112.9	N327 F335 F382 V454 V455	N327-L384 HydrophobicContact CB-CD1 4.46Å; N327-L384 WeakPolarHBondContact ND2-CG 3.28Å; F335-L384 HydrophobicContact CB-CD1 3.83Å; F335-L384 HydrophobicContact CB-CD2 4.45Å; F335-L384 HydrophobicContact CD2-CD2 3.8Å; F335-L384 HydrophobicContact CE2-CD2 4.38Å; F335-L384 HydrophobicContact CG-CD1 4.16Å; F335-L384 HydrophobicContact CG-CD2 4.21Å; F382-L384 VanDerWaalsContact C-N 3.31Å; F382-L384 HydrophobicContact CB-CD2 4.06Å; F382-L384 HydrophobicContact CB-CG 4.32Å; F382-L384 PolarHBondContact O-N 3.3Å; L384-V454 PolarHBondContact O-N 3.04Å; L384-V455 HydrophobicContact CB-CB 4.3Å; L384-V455 PolarHBondContact O-N 3.23Å
385	N	93.6	Very high	93.5	Very high	18 Å²	18	20.2 Å²	20.2	10%	0.096	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-5.5	-177.1	-77.6	-68.7	0	0	0	113.2	N327 D331 D383 R453 T515	N327-N385 PolarHBondContact OD1-ND2 3.17Å; D331-N385 PolarHBondContact OD2-ND2 2.9Å; D331-N385 PolarHBondContact OD2-OD1 3.27Å; D383-N385 PolarHBondContact O-N 2.99Å; D383-N385 VanDerWaalsContact O-N 3.14Å; D383-N385 PolarHBondContact OD1-N 3.09Å; N385-R453 WeakPolarHBondContact OD1-CD 3.47Å; N385-R453 PolarHBondContact OD1-NH1 3.12Å; N385-T515 WeakPolarHBondContact CB-OG1 3.29Å
386	A	91.8	Very high	93.5	Very high	22 Å²	22	20.2 Å²	20.2	18%	0.182	11%	0.111	C	C	.	.	S	Bend	trans	-60.4	147.2	174.2	0	0	0	0	0	111.3	D383 P388 R453 V454 P478	D383-A386 HydrophobicContact CB-CB 3.96Å; D383-A386 WeakPolarHBondContact O-CB 3.29Å; D383-A386 PolarHBondContact O-N 2.97Å; D383-A386 VanDerWaalsContact O-N 3.16Å; D383-A386 PolarHBondContact OD1-N 2.9Å; A386-P388 WeakPolarHBondContact O-CD 3.36Å; A386-R453 WeakPolarHBondContact O-CA 3.33Å; A386-V454 HydrophobicContact CB-CG2 4.26Å; A386-V454 WeakPolarHBondContact O-CG2 3.43Å; A386-V454 PolarHBondContact O-N 2.9Å; A386-P478 HydrophobicContact CB-CG 4.24Å
387	T	90.6	Very high	93.6	Very high	51 Å²	51	20.3 Å²	20.3	31%	0.313	11%	0.112	S	C	.	.			trans	-76.5	114.6	163	-57.1	0	0	0	0	107.8	Q389 V447 F448	T387-Q389 PolarHBondContact O-N 3.47Å; T387-V447 HydrophobicContact CG2-CG1 3.68Å; T387-F448 HydrophobicContact CG2-CD1 3.87Å; T387-F448 HydrophobicContact CG2-CE1 4.03Å
388	P	91.6	Very high	93.7	Very high	3 Å²	3	20.3 Å²	20.3	2%	0.019	11%	0.112	C	C	.	.			trans	-64.4	133.3	-174.9	23.2	-27.4	0	0	0	110.3	A386 F392 F393 V447 R452 V454 V457	A386-P388 WeakPolarHBondContact O-CD 3.36Å; P388-F392 HydrophobicContact CB-CB 3.9Å; P388-F392 HydrophobicContact CB-CD1 3.47Å; P388-F392 VanDerWaalsContact CB-CD1 3.47Å; P388-F392 HydrophobicContact CB-CD2 4.47Å; P388-F392 HydrophobicContact CB-CE1 4.13Å; P388-F392 HydrophobicContact CB-CG 3.68Å; P388-F392 HydrophobicContact CG-CD1 4.38Å; P388-F393 HydrophobicContact CB-CE2 3.95Å; P388-F393 HydrophobicContact CB-CZ 4.3Å; P388-F393 HydrophobicContact CG-CE2 3.98Å; P388-F393 HydrophobicContact CG-CZ 3.97Å; P388-V447 HydrophobicContact CG-CG1 3.91Å; P388-V447 WeakPolarHBondContact O-CG1 3.29Å; P388-R452 WeakPolarHBondContact CD-O 3.3Å; P388-V454 HydrophobicContact CB-CG2 4.1Å; P388-V454 HydrophobicContact CG-CG2 4.48Å; P388-V457 HydrophobicContact CG-CG2 3.8Å
389	Q	86.4	Confident	93.6	Very high	70 Å²	70	20.5 Å²	20.5	33%	0.327	11%	0.113	S	C	.	.			trans	-85.1	167.1	173.5	-60.2	-59.8	-37.5	0	0	109.8	T387 C391 F392	T387-Q389 PolarHBondContact O-N 3.47Å; Q389-C391 PolarHBondContact O-N 2.98Å; Q389-C391 VanDerWaalsContact O-N 3.1Å; Q389-F392 VanDerWaalsContact O-CB 3.25Å; Q389-F392 WeakPolarHBondContact O-CB 3.3Å; Q389-F392 PolarHBondContact O-N 3.17Å
390	Q	85.9	Confident	93.7	Very high	29 Å²	29	19.9 Å²	19.9	14%	0.136	11%	0.109	C	C	.	.	H	α-helix	trans	-57.3	-31.1	179.9	-165.1	179.1	16.7	0	0	113.5	N183 F392 F393 V394 A432 A434 L443	N183-Q390 VanDerWaalsContact ND2-CD 3.35Å; N183-Q390 PolarHBondContact ND2-NE2 2.97Å; N183-Q390 PolarHBondContact ND2-OE1 3.44Å; Q390-F392 PolarHBondContact O-N 3.31Å; Q390-F393 PolarHBondContact O-N 2.9Å; Q390-V394 WeakPolarHBondContact O-CG2 3.32Å; Q390-V394 PolarHBondContact O-N 3.36Å; Q390-A432 PolarHBondContact NE2-O 2.91Å; Q390-A434 PolarHBondContact NE2-O 3.31Å; Q390-L443 HydrophobicContact CB-CD2 4.28Å; Q390-L443 HydrophobicContact CG-CD2 4.05Å
391	C	87.3	Confident	93.8	Very high	64 Å²	64	18.8 Å²	18.8	43%	0.432	11%	0.107	S	C	.	.	H	α-helix	trans	-59.5	-33.2	174.8	61.3	0	0	0	0	113.2	Q389 V394 N395	Q389-C391 PolarHBondContact O-N 2.98Å; Q389-C391 VanDerWaalsContact O-N 3.1Å; C391-V394 PolarHBondContact O-N 3.04Å; C391-N395 WeakPolarHBondContact O-CB 3.47Å; C391-N395 PolarHBondContact O-N 3.42Å
392	F	93.2	Very high	93.9	Very high	7 Å²	7	19.7 Å²	19.7	3%	0.031	11%	0.112	C	C	.	.	H	α-helix	trans	-61.5	-45.5	172.9	168.8	-89.6	0	0	0	110.6	P388 Q389 Q390 N395 Y396 V454 V457 L458 I476 L477	P388-F392 HydrophobicContact CB-CB 3.9Å; P388-F392 HydrophobicContact CB-CD1 3.47Å; P388-F392 VanDerWaalsContact CB-CD1 3.47Å; P388-F392 HydrophobicContact CB-CD2 4.47Å; P388-F392 HydrophobicContact CB-CE1 4.13Å; P388-F392 HydrophobicContact CB-CG 3.68Å; P388-F392 HydrophobicContact CG-CD1 4.38Å; Q389-F392 VanDerWaalsContact O-CB 3.25Å; Q389-F392 WeakPolarHBondContact O-CB 3.3Å; Q389-F392 PolarHBondContact O-N 3.17Å; Q390-F392 PolarHBondContact O-N 3.31Å; F392-N395 PolarHBondContact O-N 3.06Å; F392-Y396 HydrophobicContact CE1-CD1 4.05Å; F392-Y396 HydrophobicContact CZ-CD1 4.17Å; F392-Y396 HydrophobicContact CZ-CG 4.45Å; F392-Y396 VanDerWaalsContact O-CB 3.22Å; F392-Y396 WeakPolarHBondContact O-CB 3.48Å; F392-Y396 PolarHBondContact O-N 3.17Å; F392-V454 HydrophobicContact CE2-CG1 3.91Å; F392-V454 HydrophobicContact CE2-CG2 4.49Å; F392-V454 HydrophobicContact CZ-CG1 4.2Å; F392-V457 HydrophobicContact CE1-CB 4.3Å; F392-V457 HydrophobicContact CE1-CG1 3.72Å; F392-V457 HydrophobicContact CZ-CG1 4.33Å; F392-L458 HydrophobicContact CZ-CD2 4.41Å; F392-I476 VanDerWaalsContact CD2-O 3.26Å; F392-I476 WeakPolarHBondContact CD2-O 3.31Å; F392-I476 HydrophobicContact CE2-CG2 4.2Å; F392-L477 HydrophobicContact CE2-CD2 4.13Å
393	F	95.3	Very high	93.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-66.6	-40.5	178.4	-67.6	-78.4	0	0	0	112.5	P388 Q390 N395 Y396 C397 L428 L431 A432 L443 Y446 V447 V457	P388-F393 HydrophobicContact CB-CE2 3.95Å; P388-F393 HydrophobicContact CB-CZ 4.3Å; P388-F393 HydrophobicContact CG-CE2 3.98Å; P388-F393 HydrophobicContact CG-CZ 3.97Å; Q390-F393 PolarHBondContact O-N 2.9Å; F393-N395 VanDerWaalsContact C-N 3.35Å; F393-N395 PolarHBondContact O-N 3.03Å; F393-Y396 PolarHBondContact O-N 3.29Å; F393-C397 WeakPolarHBondContact O-CB 3.5Å; F393-C397 PolarHBondContact O-N 3.2Å; F393-L428 HydrophobicContact CD1-CD2 4.33Å; F393-L431 HydrophobicContact CB-CB 4.35Å; F393-L431 HydrophobicContact CD1-CB 3.81Å; F393-L431 HydrophobicContact CD1-CD1 3.88Å; F393-L431 HydrophobicContact CD1-CG 4.48Å; F393-L431 HydrophobicContact CE1-CB 4.4Å; F393-L431 HydrophobicContact CE1-CD1 3.76Å; F393-L431 HydrophobicContact CG-CB 4.12Å; F393-A432 HydrophobicContact CB-CB 4.38Å; F393-L443 HydrophobicContact CD2-CD1 4.02Å; F393-L443 HydrophobicContact CE2-CD1 3.97Å; F393-L443 HydrophobicContact CZ-CD1 4.49Å; F393-Y446 HydrophobicContact CE1-CD1 4.27Å; F393-Y446 AromaticContact CE1-CE1 3.77Å; F393-Y446 HydrophobicContact CE1-CE1 3.77Å; F393-Y446 HydrophobicContact CZ-CD1 4.17Å; F393-Y446 AromaticContact CZ-CE1 3.88Å; F393-Y446 HydrophobicContact CZ-CE1 3.88Å; F393-V447 HydrophobicContact CE2-CG2 3.6Å; F393-V447 HydrophobicContact CZ-CG2 3.44Å; F393-V447 VanDerWaalsContact CZ-CG2 3.44Å; F393-V457 HydrophobicContact CE1-CG1 3.83Å; F393-V457 HydrophobicContact CZ-CG1 4.26Å; F393-V457 HydrophobicContact CZ-CG2 4.18Å
394	V	93.7	Very high	93.8	Very high	15 Å²	15	19.5 Å²	19.5	9%	0.091	11%	0.113	C	C	.	.	H	α-helix	trans	-57.9	-48.3	174.7	171.9	0	0	0	0	110.9	K219 V224 Q390 C391 A398 A432	K219-V394 HydrophobicContact CD-CG2 4.27Å; V224-V394 HydrophobicContact CB-CG1 4.44Å; V224-V394 HydrophobicContact CG1-CG1 4.02Å; V224-V394 HydrophobicContact CG2-CG1 3.7Å; Q390-V394 WeakPolarHBondContact O-CG2 3.32Å; Q390-V394 PolarHBondContact O-N 3.36Å; C391-V394 PolarHBondContact O-N 3.04Å; V394-A398 WeakPolarHBondContact O-CB 3.49Å; V394-A398 PolarHBondContact O-N 3.04Å; V394-A432 HydrophobicContact CG2-CB 4.13Å
395	N	94.8	Very high	93.6	Very high	42 Å²	42	23.9 Å²	23.9	23%	0.225	13%	0.132	C	C	.	.	H	α-helix	trans	-65.5	-45.7	177.1	-71.6	-5.8	0	0	0	111.2	W228 C391 F392 F393 C397 A398 F399 D475	W228-N395 HydrophobicContact CH2-CB 4.17Å; W228-N395 WeakPolarHBondContact CH2-O 3.43Å; W228-N395 HydrophobicContact CZ2-CB 3.62Å; C391-N395 WeakPolarHBondContact O-CB 3.47Å; C391-N395 PolarHBondContact O-N 3.42Å; F392-N395 PolarHBondContact O-N 3.06Å; F393-N395 VanDerWaalsContact C-N 3.35Å; F393-N395 PolarHBondContact O-N 3.03Å; N395-C397 VanDerWaalsContact C-N 3.33Å; N395-C397 PolarHBondContact O-N 3.28Å; N395-A398 WeakPolarHBondContact O-CB 3.48Å; N395-A398 PolarHBondContact O-N 2.95Å; N395-F399 PolarHBondContact O-N 3.22Å; N395-D475 PolarHBondContact ND2-O 3.17Å
396	Y	97.5	Very high	93.4	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-66.2	-36.4	-177.8	-165	-150.4	0	0	0	112.5	F392 F393 F399 A400 L428 L458 F461 T464 S465 L468 I476	F392-Y396 HydrophobicContact CE1-CD1 4.05Å; F392-Y396 HydrophobicContact CZ-CD1 4.17Å; F392-Y396 HydrophobicContact CZ-CG 4.45Å; F392-Y396 VanDerWaalsContact O-CB 3.22Å; F392-Y396 WeakPolarHBondContact O-CB 3.48Å; F392-Y396 PolarHBondContact O-N 3.17Å; F393-Y396 PolarHBondContact O-N 3.29Å; Y396-F399 HydrophobicContact CD2-CD1 4.33Å; Y396-F399 HydrophobicContact CE2-CD1 4.28Å; Y396-F399 PolarHBondContact O-N 3.46Å; Y396-A400 WeakPolarHBondContact O-CB 3.29Å; Y396-A400 PolarHBondContact O-N 3.21Å; Y396-L428 HydrophobicContact CD1-CD1 4.01Å; Y396-L428 HydrophobicContact CD1-CD2 3.46Å; Y396-L428 VanDerWaalsContact CD1-CD2 3.46Å; Y396-L428 HydrophobicContact CD1-CG 4.41Å; Y396-L428 HydrophobicContact CE1-CD1 4.12Å; Y396-L428 HydrophobicContact CE1-CD2 3.96Å; Y396-L428 HydrophobicContact CG-CD1 4.32Å; Y396-L428 HydrophobicContact CG-CD2 4.22Å; Y396-L458 HydrophobicContact CE1-CD2 4.31Å; Y396-L458 HydrophobicContact CE2-CD2 4.4Å; Y396-F461 HydrophobicContact CE1-CB 3.93Å; Y396-F461 AromaticContact CE1-CD2 3.88Å; Y396-F461 HydrophobicContact CE1-CD2 3.88Å; Y396-F461 HydrophobicContact CE1-CG 4.06Å; Y396-F461 PolarHBondContact OH-O 2.99Å; Y396-T464 HydrophobicContact CD2-CG2 4.24Å; Y396-T464 HydrophobicContact CE2-CG2 3.46Å; Y396-T464 VanDerWaalsContact CE2-CG2 3.46Å; Y396-T464 WeakPolarHBondContact OH-CB 3.29Å; Y396-S465 WeakPolarHBondContact OH-CA 3.35Å; Y396-S465 PolarHBondContact OH-N 3.41Å; Y396-S465 VanDerWaalsContact OH-N 3.15Å; Y396-S465 PolarHBondContact OH-OG 3.14Å; Y396-L468 HydrophobicContact CE2-CD2 4.45Å; Y396-I476 HydrophobicContact CD2-CG2 3.82Å; Y396-I476 HydrophobicContact CG-CG2 4.22Å
397	C	97.8	Very high	93.2	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.014	14%	0.141	C	C	.	.	H	α-helix	trans	-63.6	-45.7	170.9	-179.2	0	0	0	0	111.9	F393 N395 F399 A400 V401 L428 A432	F393-C397 WeakPolarHBondContact O-CB 3.5Å; F393-C397 PolarHBondContact O-N 3.2Å; N395-C397 VanDerWaalsContact C-N 3.33Å; N395-C397 PolarHBondContact O-N 3.28Å; C397-F399 VanDerWaalsContact C-N 3.28Å; C397-F399 PolarHBondContact O-N 3.02Å; C397-A400 PolarHBondContact O-N 3.14Å; C397-A400 VanDerWaalsContact O-N 3.17Å; C397-V401 WeakPolarHBondContact O-CB 3.36Å; C397-V401 WeakPolarHBondContact O-CG2 3.39Å; C397-V401 PolarHBondContact O-N 3.15Å; C397-L428 HydrophobicContact CB-CB 4.05Å; C397-A432 HydrophobicContact CB-CB 3.74Å
398	A	97.2	Very high	92.8	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.008	16%	0.157	C	C	.	.	H	α-helix	trans	-55.2	-45.4	176.3	0	0	0	0	0	111.9	P221 V224 F225 W228 V394 N395 N402	P221-A398 WeakPolarHBondContact O-CB 3.44Å; V224-A398 HydrophobicContact CB-CB 3.95Å; V224-A398 HydrophobicContact CG1-CB 3.68Å; F225-A398 HydrophobicContact CB-CB 4.19Å; W228-A398 HydrophobicContact CH2-CB 4.28Å; W228-A398 HydrophobicContact CZ2-CB 4.41Å; V394-A398 WeakPolarHBondContact O-CB 3.49Å; V394-A398 PolarHBondContact O-N 3.04Å; N395-A398 WeakPolarHBondContact O-CB 3.48Å; N395-A398 PolarHBondContact O-N 2.95Å; A398-N402 WeakPolarHBondContact O-CB 3.37Å; A398-N402 PolarHBondContact O-N 3.28Å; A398-N402 VanDerWaalsContact O-N 3.16Å
399	F	97.2	Very high	92.2	Very high	3 Å²	3	34.9 Å²	34.9	1%	0.013	19%	0.185	C	C	.	.	H	α-helix	trans	-61	-51.3	173.2	175.4	-104.5	0	0	0	112.5	W228 N395 Y396 C397 V401 N402 C403 T464 L467 L468 Y472 I476	W228-F399 HydrophobicContact CH2-CB 4.1Å; W228-F399 HydrophobicContact CZ3-CB 4.02Å; N395-F399 PolarHBondContact O-N 3.22Å; Y396-F399 HydrophobicContact CD2-CD1 4.33Å; Y396-F399 HydrophobicContact CE2-CD1 4.28Å; Y396-F399 PolarHBondContact O-N 3.46Å; C397-F399 VanDerWaalsContact C-N 3.28Å; C397-F399 PolarHBondContact O-N 3.02Å; F399-V401 PolarHBondContact O-N 2.87Å; F399-N402 PolarHBondContact O-N 2.8Å; F399-N402 VanDerWaalsContact O-N 3.15Å; F399-C403 WeakPolarHBondContact CZ-SG 3.35Å; F399-C403 PolarHBondContact O-N 2.91Å; F399-C403 PolarHBondContact O-SG 3.02Å; F399-T464 HydrophobicContact CD1-CG2 4.01Å; F399-T464 HydrophobicContact CE1-CG2 4.16Å; F399-L467 HydrophobicContact CE1-CB 4.49Å; F399-L467 HydrophobicContact CZ-CB 4.33Å; F399-L467 WeakPolarHBondContact CZ-O 3.18Å; F399-L468 HydrophobicContact CD1-CD2 3.95Å; F399-L468 HydrophobicContact CE1-CD2 3.62Å; F399-L468 HydrophobicContact CE1-CG 4.14Å; F399-L468 HydrophobicContact CZ-CD2 3.95Å; F399-L468 HydrophobicContact CZ-CG 4.47Å; F399-Y472 HydrophobicContact CD2-CD2 4.09Å; F399-Y472 HydrophobicContact CD2-CG 4.16Å; F399-Y472 AromaticContact CE2-CD2 3.7Å; F399-Y472 HydrophobicContact CE2-CD2 3.7Å; F399-Y472 HydrophobicContact CE2-CE2 4.48Å; F399-Y472 HydrophobicContact CE2-CG 4.19Å; F399-I476 HydrophobicContact CB-CD1 3.59Å; F399-I476 HydrophobicContact CB-CG1 4.3Å; F399-I476 HydrophobicContact CD1-CD1 3.97Å; F399-I476 HydrophobicContact CD2-CD1 3.83Å; F399-I476 HydrophobicContact CG-CD1 3.5Å
400	A	97.5	Very high	91.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.7	-43.2	-177.3	0	0	0	0	0	112.6	Y396 C397 N402 C403 L404 V425 L428 T464	Y396-A400 WeakPolarHBondContact O-CB 3.29Å; Y396-A400 PolarHBondContact O-N 3.21Å; C397-A400 PolarHBondContact O-N 3.14Å; C397-A400 VanDerWaalsContact O-N 3.17Å; A400-N402 VanDerWaalsContact C-N 3.33Å; A400-N402 PolarHBondContact O-N 3.04Å; A400-C403 WeakPolarHBondContact O-CB 3.26Å; A400-C403 PolarHBondContact O-N 3.01Å; A400-L404 PolarHBondContact O-N 2.94Å; A400-V425 HydrophobicContact CB-CG2 3.72Å; A400-V425 WeakPolarHBondContact O-CG2 3.46Å; A400-L428 HydrophobicContact CB-CD1 3.56Å; A400-T464 HydrophobicContact CB-CG2 3.59Å
401	V	97.2	Very high	90	Very high	22 Å²	22	42.1 Å²	42.1	13%	0.133	23%	0.227	C	C	.	.	H	α-helix	trans	-60.7	-43.8	175.6	169.3	0	0	0	0	110.7	P221 C397 F399 L404 K405 V425	P221-V401 HydrophobicContact CB-CB 3.98Å; P221-V401 HydrophobicContact CB-CG1 4.14Å; P221-V401 HydrophobicContact CB-CG2 3.86Å; P221-V401 HydrophobicContact CG-CG2 4.1Å; C397-V401 WeakPolarHBondContact O-CB 3.36Å; C397-V401 WeakPolarHBondContact O-CG2 3.39Å; C397-V401 PolarHBondContact O-N 3.15Å; F399-V401 PolarHBondContact O-N 2.87Å; V401-L404 PolarHBondContact O-N 3.35Å; V401-K405 HydrophobicContact CG1-CD 4.46Å; V401-K405 WeakPolarHBondContact O-CG 3.49Å; V401-K405 PolarHBondContact O-N 3.15Å; V401-V425 HydrophobicContact CG2-CG1 3.73Å
402	N	95.6	Very high	88.5	Confident	29 Å²	29	42.8 Å²	42.8	16%	0.155	25%	0.245	C	C	.	.	H	α-helix	trans	-64.2	-43.3	176.7	-174.2	61.7	0	0	0	111.9	F225 A398 F399 A400 L404 K405 L406	F225-N402 HydrophobicContact CD1-CB 4.38Å; F225-N402 HydrophobicContact CD2-CB 3.99Å; F225-N402 HydrophobicContact CE1-CB 4.28Å; F225-N402 HydrophobicContact CE2-CB 3.88Å; F225-N402 HydrophobicContact CG-CB 4.25Å; F225-N402 HydrophobicContact CZ-CB 4.04Å; F225-N402 WeakPolarHBondContact CZ-ND2 3.33Å; A398-N402 WeakPolarHBondContact O-CB 3.37Å; A398-N402 PolarHBondContact O-N 3.28Å; A398-N402 VanDerWaalsContact O-N 3.16Å; F399-N402 PolarHBondContact O-N 2.8Å; F399-N402 VanDerWaalsContact O-N 3.15Å; A400-N402 VanDerWaalsContact C-N 3.33Å; A400-N402 PolarHBondContact O-N 3.04Å; N402-L404 VanDerWaalsContact C-N 3.33Å; N402-L404 PolarHBondContact O-N 2.92Å; N402-K405 WeakPolarHBondContact O-CB 3.32Å; N402-K405 PolarHBondContact O-N 3.3Å; N402-K405 VanDerWaalsContact O-N 3.15Å; N402-L406 WeakPolarHBondContact O-CG 3.32Å; N402-L406 PolarHBondContact O-N 2.88Å
403	C	94.2	Very high	86.6	Confident	17 Å²	17	46.2 Å²	46.2	12%	0.115	27%	0.274	C	S	.	.	H	α-helix	trans	-58	-43.2	173.6	-73.4	0	0	0	0	112.4	F399 A400 K405 L406 S407 L467	F399-C403 WeakPolarHBondContact CZ-SG 3.35Å; F399-C403 PolarHBondContact O-N 2.91Å; F399-C403 PolarHBondContact O-SG 3.02Å; A400-C403 WeakPolarHBondContact O-CB 3.26Å; A400-C403 PolarHBondContact O-N 3.01Å; C403-K405 VanDerWaalsContact C-N 3.31Å; C403-K405 PolarHBondContact O-N 2.94Å; C403-L406 PolarHBondContact O-N 2.97Å; C403-S407 WeakPolarHBondContact O-CB 3.29Å; C403-S407 PolarHBondContact O-N 2.88Å; C403-L467 HydrophobicContact CB-CD1 4.02Å
404	L	94.9	Very high	84.9	Confident	15 Å²	15	53.2 Å²	53.2	8%	0.079	31%	0.307	C	S	.	.	H	α-helix	trans	-65.1	-33.4	176.8	179.4	65.6	0	0	0	112.6	A400 V401 N402 S407 K408 L421 K422 V425	A400-L404 PolarHBondContact O-N 2.94Å; V401-L404 PolarHBondContact O-N 3.35Å; N402-L404 VanDerWaalsContact C-N 3.33Å; N402-L404 PolarHBondContact O-N 2.92Å; L404-S407 PolarHBondContact O-OG 2.55Å; L404-K408 WeakPolarHBondContact O-CG 3.32Å; L404-K408 PolarHBondContact O-N 3.5Å; L404-L421 HydrophobicContact CB-CD2 4.23Å; L404-L421 HydrophobicContact CB-CG 4.4Å; L404-L421 HydrophobicContact CD1-CD2 4.18Å; L404-L421 HydrophobicContact CD1-CG 4.25Å; L404-K422 HydrophobicContact CD1-CB 4.43Å; L404-K422 HydrophobicContact CD2-CD 3.69Å; L404-V425 HydrophobicContact CB-CG2 4.04Å; L404-V425 HydrophobicContact CD2-CB 4.17Å; L404-V425 HydrophobicContact CD2-CG1 4.03Å; L404-V425 HydrophobicContact CD2-CG2 4.06Å
405	K	93.2	Very high	83.9	Confident	92 Å²	92	62.8 Å²	62.8	40%	0.4	35%	0.35	S	S	.	.	H	α-helix	trans	-68.6	-45	173.8	-72	175.1	178.5	-171.2	0	111.5	D222 V401 N402 C403 S407 K408	D222-K405 IonicContact OD1-NZ 2.92Å; D222-K405 PolarHBondContact OD1-NZ 2.91Å; D222-K405 IonicContact OD2-NZ 3.69Å; D222-K405 PolarHBondContact OD2-NZ 3.33Å; V401-K405 HydrophobicContact CG1-CD 4.46Å; V401-K405 WeakPolarHBondContact O-CG 3.49Å; V401-K405 PolarHBondContact O-N 3.15Å; N402-K405 WeakPolarHBondContact O-CB 3.32Å; N402-K405 PolarHBondContact O-N 3.3Å; N402-K405 VanDerWaalsContact O-N 3.15Å; C403-K405 VanDerWaalsContact C-N 3.31Å; C403-K405 PolarHBondContact O-N 2.94Å; K405-S407 VanDerWaalsContact C-N 3.34Å; K405-S407 PolarHBondContact O-N 2.98Å; K405-K408 WeakPolarHBondContact O-CB 3.38Å; K405-K408 PolarHBondContact O-N 3.06Å
406	L	89.5	Confident	83.4	Confident	83 Å²	83	62.9 Å²	62.9	44%	0.435	35%	0.35	S	S	.	.	H	α-helix	trans	-64.4	-38.8	178.2	-68.8	173.2	0	0	0	111.7	N402 C403 K408 S409 L410	N402-L406 WeakPolarHBondContact O-CG 3.32Å; N402-L406 PolarHBondContact O-N 2.88Å; C403-L406 PolarHBondContact O-N 2.97Å; L406-K408 PolarHBondContact O-N 3.39Å; L406-S409 PolarHBondContact O-N 2.9Å; L406-S409 PolarHBondContact O-OG 3.39Å; L406-L410 PolarHBondContact O-N 3.22Å; L406-L410 VanDerWaalsContact O-N 3.17Å
407	S	86.5	Confident	83.1	Confident	6 Å²	6	67.1 Å²	67.1	4%	0.042	37%	0.373	C	S	.	.	H	α-helix	trans	-66.4	-21.5	178.6	75	0	0	0	0	113.8	C403 L404 K405 S409 K418	C403-S407 WeakPolarHBondContact O-CB 3.29Å; C403-S407 PolarHBondContact O-N 2.88Å; L404-S407 PolarHBondContact O-OG 2.55Å; K405-S407 VanDerWaalsContact C-N 3.34Å; K405-S407 PolarHBondContact O-N 2.98Å; S407-S409 VanDerWaalsContact C-N 3.33Å; S407-K418 WeakPolarHBondContact O-CE 3.49Å; S407-K418 PolarHBondContact O-NZ 3.32Å
408	K	83.6	Confident	82.8	Confident	147 Å²	147	70.9 Å²	70.9	64%	0.639	39%	0.389	S	S	*	.	H	α-helix	trans	-74.7	-23	171	-69	172.7	-176.3	-178.6	0	113.1	L404 K405 L406	L404-K408 WeakPolarHBondContact O-CG 3.32Å; L404-K408 PolarHBondContact O-N 3.5Å; K405-K408 WeakPolarHBondContact O-CB 3.38Å; K405-K408 PolarHBondContact O-N 3.06Å; L406-K408 PolarHBondContact O-N 3.39Å
409	S	78.1	Confident	82.6	Confident	88 Å²	88	77 Å²	77	62%	0.615	42%	0.422	S	S	*	.	H	α-helix	trans	-91.7	-24.6	179.6	71.1	0	0	0	0	113.6	L406 S407	L406-S409 PolarHBondContact O-N 2.9Å; L406-S409 PolarHBondContact O-OG 3.39Å; S407-S409 VanDerWaalsContact C-N 3.33Å
410	L	67.7	Low	82.5	Confident	99 Å²	99	81.8 Å²	81.8	52%	0.518	44%	0.44	S	S	.	.			trans	-97.7	97.5	-178.1	-74.7	152.2	0	0	0	110	L406 G412 A413	L406-L410 PolarHBondContact O-N 3.22Å; L406-L410 VanDerWaalsContact O-N 3.17Å; L410-G412 PolarHBondContact O-N 3.45Å; L410-A413 HydrophobicContact CD2-CB 4.47Å
411	D	59.3	Low	82.5	Confident	152 Å²	152	81.8 Å²	81.8	81%	0.813	44%	0.44	S	S	*	.	S	Bend	trans	-86.1	8.4	-179.9	-98.3	-8.4	0	0	0	115	K418	D411-K418 IonicContact OD1-NZ 2.82Å
412	G	54.4	Low	82.4	Confident	79 Å²	79	85 Å²	85	81%	0.814	45%	0.452	S	S	*	.	S	Bend	trans	-162.7	9.3	-173.4	0	0	0	0	0	121.4	L410	L410-G412 PolarHBondContact O-N 3.45Å
413	A	53.8	Low	82.6	Confident	79 Å²	79	88.8 Å²	88.8	65%	0.653	47%	0.472	S	S	*	.	S	Bend	trans	-101.1	-27.9	-171.5	0	0	0	0	0	115.9	L410	L410-A413 HydrophobicContact CD2-CB 4.47Å
414	Q	60	Low	82.8	Confident	146 Å²	146	88.1 Å²	88.1	68%	0.682	47%	0.467	S	S	*	.			trans	-146.4	139	-177.7	-70.6	-179.1	1.7	0	0	110.9	I416	Q414-I416 HydrophobicContact CB-CD1 4.25Å; Q414-I416 HydrophobicContact CB-CG1 3.91Å; Q414-I416 PolarHBondContact O-N 3.35Å
415	H	72.9	Confident	82.9	Confident	216 Å²	216	87.7 Å²	87.7	100%	1	47%	0.465	S	S	*	.			trans	-68.3	77.8	167.6	-95.4	-65.4	0	0	0	109.3
416	I	84.6	Confident	83.1	Confident	44 Å²	44	86.2 Å²	86.2	23%	0.226	46%	0.461	C	S	.	.			trans	-91.7	124.3	170.1	-58.1	174	0	0	0	106.8	Q414 K418 L421 V463 L467	Q414-I416 HydrophobicContact CB-CD1 4.25Å; Q414-I416 HydrophobicContact CB-CG1 3.91Å; Q414-I416 PolarHBondContact O-N 3.35Å; I416-K418 VanDerWaalsContact C-N 3.3Å; I416-K418 PolarHBondContact O-N 3.33Å; I416-L421 HydrophobicContact CG2-CD2 4.11Å; I416-V463 HydrophobicContact CG2-CG1 4.08Å; I416-L467 HydrophobicContact CD1-CD2 3.76Å; I416-L467 HydrophobicContact CG1-CD2 4.11Å; I416-L467 HydrophobicContact CG2-CD1 4.41Å
417	D	90.9	Very high	83.5	Confident	89 Å²	89	85.8 Å²	85.8	48%	0.476	45%	0.454	S	S	.	.			trans	-69.9	90	169.7	-173.8	-19	0	0	0	108.6	D419 R420 L421 V463	D417-D419 VanDerWaalsContact C-N 3.25Å; D417-D419 PolarHBondContact O-N 2.9Å; D417-D419 PolarHBondContact OD1-N 3.03Å; D417-R420 HydrophobicContact CB-CB 3.96Å; D417-R420 PolarHBondContact O-N 2.82Å; D417-R420 WeakPolarHBondContact OD1-CB 3.48Å; D417-R420 PolarHBondContact OD1-N 2.69Å; D417-R420 WeakPolarHBondContact OD2-CB 3.24Å; D417-L421 WeakPolarHBondContact O-CB 3.35Å; D417-L421 PolarHBondContact O-N 2.8Å; D417-V463 HydrophobicContact CB-CG2 4.4Å
418	K	90.2	Very high	84.1	Confident	81 Å²	81	85.5 Å²	85.5	35%	0.352	45%	0.452	S	S	.	.	H	α-helix	trans	-63.3	-33.1	-175.3	-65.8	-174.6	-175	-173.8	0	111.6	S407 D411 I416 K422	S407-K418 WeakPolarHBondContact O-CE 3.49Å; S407-K418 PolarHBondContact O-NZ 3.32Å; D411-K418 IonicContact OD1-NZ 2.82Å; I416-K418 VanDerWaalsContact C-N 3.3Å; I416-K418 PolarHBondContact O-N 3.33Å; K418-K422 WeakPolarHBondContact O-CB 3.25Å; K418-K422 PolarHBondContact O-N 3Å
419	D	93.2	Very high	84.7	Confident	130 Å²	130	80.7 Å²	80.7	70%	0.695	44%	0.435	S	S	*	.	H	α-helix	trans	-71.5	-45.9	179.8	-65.9	-26.2	0	0	0	110.3	D417 K422 L423	D417-D419 VanDerWaalsContact C-N 3.25Å; D417-D419 PolarHBondContact O-N 2.9Å; D417-D419 PolarHBondContact OD1-N 3.03Å; D419-K422 PolarHBondContact O-N 2.86Å; D419-L423 PolarHBondContact O-N 3.16Å; D419-L423 VanDerWaalsContact O-N 3.15Å
420	R	96.2	Very high	85.4	Confident	103 Å²	103	80.1 Å²	80.1	39%	0.389	43%	0.425	S	S	.	.	H	α-helix	trans	-63.1	-42.1	173.1	178.6	59.2	-176.2	-162.4	2.8	112.1	D417 K422 L423 E424 D460 V463	D417-R420 HydrophobicContact CB-CB 3.96Å; D417-R420 PolarHBondContact O-N 2.82Å; D417-R420 WeakPolarHBondContact OD1-CB 3.48Å; D417-R420 PolarHBondContact OD1-N 2.69Å; D417-R420 WeakPolarHBondContact OD2-CB 3.24Å; R420-K422 VanDerWaalsContact C-N 3.28Å; R420-K422 PolarHBondContact O-N 3Å; R420-L423 PolarHBondContact O-N 2.95Å; R420-E424 HydrophobicContact CG-CG 4.47Å; R420-E424 IonicContact CZ-OE1 3.16Å; R420-E424 IonicContact NE-OE1 2.66Å; R420-E424 PolarHBondContact NE-OE1 2.97Å; R420-E424 IonicContact NH2-OE1 2.57Å; R420-E424 WeakPolarHBondContact O-CG 3.48Å; R420-E424 PolarHBondContact O-N 2.91Å; R420-D460 PolarHBondContact NH2-O 3.1Å; R420-V463 HydrophobicContact CB-CG2 3.96Å; R420-V463 HydrophobicContact CG-CB 4.33Å; R420-V463 HydrophobicContact CG-CG2 3.42Å; R420-V463 VanDerWaalsContact CG-CG2 3.42Å
421	L	96.1	Very high	86.7	Confident	0 Å²	0	75.4 Å²	75.4	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-59.3	-40.3	176.2	179.7	60.9	0	0	0	111.4	L404 I416 D417 E424 V425 V463 L467	L404-L421 HydrophobicContact CB-CD2 4.23Å; L404-L421 HydrophobicContact CB-CG 4.4Å; L404-L421 HydrophobicContact CD1-CD2 4.18Å; L404-L421 HydrophobicContact CD1-CG 4.25Å; I416-L421 HydrophobicContact CG2-CD2 4.11Å; D417-L421 WeakPolarHBondContact O-CB 3.35Å; D417-L421 PolarHBondContact O-N 2.8Å; L421-E424 PolarHBondContact O-N 3.2Å; L421-V425 HydrophobicContact CD1-CG2 4.38Å; L421-V425 WeakPolarHBondContact O-CG2 3.35Å; L421-V425 PolarHBondContact O-N 2.95Å; L421-V463 HydrophobicContact CB-CG1 3.95Å; L421-V463 HydrophobicContact CD1-CG1 4.29Å; L421-L467 HydrophobicContact CD1-CD1 4.28Å; L421-L467 HydrophobicContact CD2-CD1 4.2Å
422	K	97	Very high	88.3	Confident	90 Å²	90	68.7 Å²	68.7	39%	0.391	37%	0.366	S	S	.	.	H	α-helix	trans	-62.2	-45.2	176.7	178.2	57.2	-177.4	151.1	0	111.8	L404 K418 D419 R420 E424 V425 D426	L404-K422 HydrophobicContact CD1-CB 4.43Å; L404-K422 HydrophobicContact CD2-CD 3.69Å; K418-K422 WeakPolarHBondContact O-CB 3.25Å; K418-K422 PolarHBondContact O-N 3Å; D419-K422 PolarHBondContact O-N 2.86Å; R420-K422 VanDerWaalsContact C-N 3.28Å; R420-K422 PolarHBondContact O-N 3Å; K422-E424 VanDerWaalsContact C-N 3.34Å; K422-E424 PolarHBondContact O-N 3.14Å; K422-V425 PolarHBondContact O-N 3.35Å; K422-D426 WeakPolarHBondContact CE-OD1 3.44Å; K422-D426 WeakPolarHBondContact CE-OD2 3.24Å; K422-D426 IonicContact NZ-OD1 2.65Å; K422-D426 PolarHBondContact NZ-OD1 2.92Å; K422-D426 IonicContact NZ-OD2 3.67Å; K422-D426 VanDerWaalsContact O-CG 3.26Å; K422-D426 PolarHBondContact O-N 2.9Å
423	L	98	Very high	90	Very high	109 Å²	109	67.5 Å²	67.5	57%	0.571	35%	0.345	S	S	*	.	H	α-helix	trans	-62.4	-40.1	175.9	-68	172.5	0	0	0	112.5	D419 R420 D426 R427	D419-L423 PolarHBondContact O-N 3.16Å; D419-L423 VanDerWaalsContact O-N 3.15Å; R420-L423 PolarHBondContact O-N 2.95Å; L423-D426 PolarHBondContact O-N 2.77Å; L423-R427 PolarHBondContact O-N 3.23Å
424	E	98.4	Very high	91.6	Very high	3 Å²	3	63.7 Å²	63.7	1%	0.014	31%	0.314	C	S	.	.	H	α-helix	trans	-65.2	-41.5	175.8	-74.4	-177.9	-165.3	0	0	111.9	R420 L421 K422 R427 L428 F461 P462 V463 T464	R420-E424 HydrophobicContact CG-CG 4.47Å; R420-E424 IonicContact CZ-OE1 3.16Å; R420-E424 IonicContact NE-OE1 2.66Å; R420-E424 PolarHBondContact NE-OE1 2.97Å; R420-E424 IonicContact NH2-OE1 2.57Å; R420-E424 WeakPolarHBondContact O-CG 3.48Å; R420-E424 PolarHBondContact O-N 2.91Å; L421-E424 PolarHBondContact O-N 3.2Å; K422-E424 VanDerWaalsContact C-N 3.34Å; K422-E424 PolarHBondContact O-N 3.14Å; E424-R427 PolarHBondContact O-N 3.05Å; E424-L428 WeakPolarHBondContact O-CB 3.43Å; E424-L428 VanDerWaalsContact O-CG 3.31Å; E424-L428 WeakPolarHBondContact O-CG 3.16Å; E424-L428 PolarHBondContact O-N 3.42Å; E424-F461 HydrophobicContact CB-CD1 3.89Å; E424-F461 HydrophobicContact CG-CD1 3.92Å; E424-P462 WeakPolarHBondContact OE1-CD 3.35Å; E424-V463 PolarHBondContact OE1-N 2.84Å; E424-V463 PolarHBondContact OE2-N 2.96Å; E424-T464 WeakPolarHBondContact OE2-CB 3.31Å; E424-T464 PolarHBondContact OE2-N 2.7Å; E424-T464 PolarHBondContact OE2-OG1 3.01Å
425	V	98.2	Very high	92.8	Very high	5 Å²	5	59 Å²	59	3%	0.03	29%	0.291	C	S	.	.	H	α-helix	trans	-61.2	-44.5	173.9	166	0	0	0	0	111.5	A400 V401 L404 L421 K422 L428 T429	A400-V425 HydrophobicContact CB-CG2 3.72Å; A400-V425 WeakPolarHBondContact O-CG2 3.46Å; V401-V425 HydrophobicContact CG2-CG1 3.73Å; L404-V425 HydrophobicContact CB-CG2 4.04Å; L404-V425 HydrophobicContact CD2-CB 4.17Å; L404-V425 HydrophobicContact CD2-CG1 4.03Å; L404-V425 HydrophobicContact CD2-CG2 4.06Å; L421-V425 HydrophobicContact CD1-CG2 4.38Å; L421-V425 WeakPolarHBondContact O-CG2 3.35Å; L421-V425 PolarHBondContact O-N 2.95Å; K422-V425 PolarHBondContact O-N 3.35Å; V425-L428 PolarHBondContact O-N 3.39Å; V425-T429 WeakPolarHBondContact O-CB 3.46Å; V425-T429 PolarHBondContact O-N 2.97Å; V425-T429 PolarHBondContact O-OG1 3.2Å
426	D	97.9	Very high	93.4	Very high	61 Å²	61	52.4 Å²	52.4	33%	0.326	26%	0.264	S	S	.	.	H	α-helix	trans	-62.1	-47.3	179.6	-66.8	-20.2	0	0	0	110	K422 L423 L428 T429 D430	K422-D426 WeakPolarHBondContact CE-OD1 3.44Å; K422-D426 WeakPolarHBondContact CE-OD2 3.24Å; K422-D426 IonicContact NZ-OD1 2.65Å; K422-D426 PolarHBondContact NZ-OD1 2.92Å; K422-D426 IonicContact NZ-OD2 3.67Å; K422-D426 VanDerWaalsContact O-CG 3.26Å; K422-D426 PolarHBondContact O-N 2.9Å; L423-D426 PolarHBondContact O-N 2.77Å; D426-L428 PolarHBondContact O-N 3.36Å; D426-T429 WeakPolarHBondContact O-CB 3.11Å; D426-T429 PolarHBondContact O-N 3.14Å; D426-T429 VanDerWaalsContact O-N 3.13Å; D426-D430 PolarHBondContact O-N 3.31Å
427	R	97.6	Very high	93.4	Very high	74 Å²	74	52.4 Å²	52.4	28%	0.279	27%	0.268	S	S	.	.	H	α-helix	trans	-64.8	-39.2	176.9	-179.5	58	178.2	172.9	2.3	113.5	L423 E424 T429 D430 L431 D442 F461	L423-R427 PolarHBondContact O-N 3.23Å; E424-R427 PolarHBondContact O-N 3.05Å; R427-T429 VanDerWaalsContact C-N 3.27Å; R427-D430 PolarHBondContact O-N 3.4Å; R427-L431 HydrophobicContact CG-CD1 4.34Å; R427-L431 WeakPolarHBondContact O-CG 3.28Å; R427-L431 PolarHBondContact O-N 2.93Å; R427-L431 VanDerWaalsContact O-N 3.17Å; R427-D442 IonicContact CZ-OD1 2.67Å; R427-D442 IonicContact CZ-OD2 3.74Å; R427-D442 IonicContact NH1-OD1 3.56Å; R427-D442 IonicContact NH1-OD2 3.62Å; R427-D442 PolarHBondContact NH1-OD2 2.77Å; R427-D442 VanDerWaalsContact NH2-CG 3.3Å; R427-D442 IonicContact NH2-OD1 2.64Å; R427-D442 PolarHBondContact NH2-OD1 2.8Å; R427-D442 IonicContact NH2-OD2 2.89Å; R427-D442 PolarHBondContact NH2-OD2 3.11Å; R427-F461 HydrophobicContact CB-CE1 4.02Å; R427-F461 HydrophobicContact CG-CE1 3.85Å; R427-F461 HydrophobicContact CG-CZ 3.9Å
428	L	97.7	Very high	93.3	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-66	-33.5	174.8	-76.6	171.7	0	0	0	111.8	F393 Y396 C397 A400 E424 V425 D426 A432 F461 T464	F393-L428 HydrophobicContact CD1-CD2 4.33Å; Y396-L428 HydrophobicContact CD1-CD1 4.01Å; Y396-L428 HydrophobicContact CD1-CD2 3.46Å; Y396-L428 VanDerWaalsContact CD1-CD2 3.46Å; Y396-L428 HydrophobicContact CD1-CG 4.41Å; Y396-L428 HydrophobicContact CE1-CD1 4.12Å; Y396-L428 HydrophobicContact CE1-CD2 3.96Å; Y396-L428 HydrophobicContact CG-CD1 4.32Å; Y396-L428 HydrophobicContact CG-CD2 4.22Å; C397-L428 HydrophobicContact CB-CB 4.05Å; A400-L428 HydrophobicContact CB-CD1 3.56Å; E424-L428 WeakPolarHBondContact O-CB 3.43Å; E424-L428 VanDerWaalsContact O-CG 3.31Å; E424-L428 WeakPolarHBondContact O-CG 3.16Å; E424-L428 PolarHBondContact O-N 3.42Å; V425-L428 PolarHBondContact O-N 3.39Å; D426-L428 PolarHBondContact O-N 3.36Å; L428-A432 WeakPolarHBondContact O-CB 3.37Å; L428-A432 PolarHBondContact O-N 2.98Å; L428-F461 HydrophobicContact CD1-CD1 4.09Å; L428-F461 HydrophobicContact CD1-CE1 4.38Å; L428-F461 HydrophobicContact CD1-CG 4.42Å; L428-F461 HydrophobicContact CD2-CD1 4.09Å; L428-F461 HydrophobicContact CD2-CD2 4.03Å; L428-F461 HydrophobicContact CD2-CE1 3.79Å; L428-F461 HydrophobicContact CD2-CE2 3.74Å; L428-F461 HydrophobicContact CD2-CG 4.22Å; L428-F461 HydrophobicContact CD2-CZ 3.62Å; L428-F461 HydrophobicContact CG-CD1 3.78Å; L428-F461 HydrophobicContact CG-CE1 3.57Å; L428-F461 HydrophobicContact CG-CE2 4.44Å; L428-F461 HydrophobicContact CG-CG 4.31Å; L428-F461 HydrophobicContact CG-CZ 3.94Å; L428-T464 HydrophobicContact CD1-CG2 4.16Å
429	T	96.3	Very high	93.3	Very high	46 Å²	46	53.4 Å²	53.4	28%	0.282	28%	0.277	S	S	.	.	H	α-helix	trans	-63	-51	175.1	-56.4	0	0	0	0	109.5	V425 D426 R427 L431 A432 S433	V425-T429 WeakPolarHBondContact O-CB 3.46Å; V425-T429 PolarHBondContact O-N 2.97Å; V425-T429 PolarHBondContact O-OG1 3.2Å; D426-T429 WeakPolarHBondContact O-CB 3.11Å; D426-T429 PolarHBondContact O-N 3.14Å; D426-T429 VanDerWaalsContact O-N 3.13Å; R427-T429 VanDerWaalsContact C-N 3.27Å; T429-L431 VanDerWaalsContact C-N 3.33Å; T429-L431 PolarHBondContact O-N 3.4Å; T429-A432 PolarHBondContact O-N 3.46Å; T429-A432 VanDerWaalsContact O-N 3.11Å; T429-S433 WeakPolarHBondContact O-CB 3.23Å; T429-S433 PolarHBondContact O-N 3.26Å; T429-S433 PolarHBondContact O-OG 2.98Å
430	D	94.4	Very high	93	Very high	77 Å²	77	48.6 Å²	48.6	41%	0.412	25%	0.251	S	S	.	.	H	α-helix	trans	-54.4	-48.2	178.2	-58.8	-22.4	0	0	0	111.8	D426 R427 A432 S433 A434	D426-D430 PolarHBondContact O-N 3.31Å; R427-D430 PolarHBondContact O-N 3.4Å; D430-A432 PolarHBondContact O-N 2.98Å; D430-S433 PolarHBondContact O-N 2.86Å; D430-A434 PolarHBondContact O-N 3.06Å; D430-A434 VanDerWaalsContact O-N 3.15Å
431	L	94.5	Very high	92.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-67.1	-35	179.5	-65.8	172.4	0	0	0	112.9	F393 R427 T429 L443 Y446 F461	F393-L431 HydrophobicContact CB-CB 4.35Å; F393-L431 HydrophobicContact CD1-CB 3.81Å; F393-L431 HydrophobicContact CD1-CD1 3.88Å; F393-L431 HydrophobicContact CD1-CG 4.48Å; F393-L431 HydrophobicContact CE1-CB 4.4Å; F393-L431 HydrophobicContact CE1-CD1 3.76Å; F393-L431 HydrophobicContact CG-CB 4.12Å; R427-L431 HydrophobicContact CG-CD1 4.34Å; R427-L431 WeakPolarHBondContact O-CG 3.28Å; R427-L431 PolarHBondContact O-N 2.93Å; R427-L431 VanDerWaalsContact O-N 3.17Å; T429-L431 VanDerWaalsContact C-N 3.33Å; T429-L431 PolarHBondContact O-N 3.4Å; L431-L443 HydrophobicContact CB-CD1 4.33Å; L431-L443 HydrophobicContact CD2-CB 4.5Å; L431-L443 HydrophobicContact CD2-CD1 3.89Å; L431-Y446 HydrophobicContact CD1-CD1 3.63Å; L431-Y446 HydrophobicContact CD1-CE1 3.63Å; L431-Y446 HydrophobicContact CD1-CG 4.42Å; L431-Y446 HydrophobicContact CD2-CD1 3.79Å; L431-Y446 HydrophobicContact CD2-CG 4.16Å; L431-Y446 HydrophobicContact CG-CD1 4.39Å; L431-F461 HydrophobicContact CD1-CE2 4.46Å; L431-F461 HydrophobicContact CD1-CZ 3.94Å
432	A	92.9	Very high	92.5	Very high	10 Å²	10	50.3 Å²	50.3	8%	0.083	27%	0.268	C	S	.	.	H	α-helix	trans	-73.4	-38.2	178.7	0	0	0	0	0	112.3	Q390 F393 V394 C397 L428 T429 D430	Q390-A432 PolarHBondContact NE2-O 2.91Å; F393-A432 HydrophobicContact CB-CB 4.38Å; V394-A432 HydrophobicContact CG2-CB 4.13Å; C397-A432 HydrophobicContact CB-CB 3.74Å; L428-A432 WeakPolarHBondContact O-CB 3.37Å; L428-A432 PolarHBondContact O-N 2.98Å; T429-A432 PolarHBondContact O-N 3.46Å; T429-A432 VanDerWaalsContact O-N 3.11Å; D430-A432 PolarHBondContact O-N 2.98Å
433	S	89.6	Confident	92.3	Very high	54 Å²	54	46.4 Å²	46.4	38%	0.378	25%	0.251	S	S	.	.	S	Bend	trans	-93.4	13.7	-178.3	65.1	0	0	0	0	114.1	T429 D430 E435	T429-S433 WeakPolarHBondContact O-CB 3.23Å; T429-S433 PolarHBondContact O-N 3.26Å; T429-S433 PolarHBondContact O-OG 2.98Å; D430-S433 PolarHBondContact O-N 2.86Å; S433-E435 WeakPolarHBondContact O-CG 3.31Å; S433-E435 PolarHBondContact O-N 2.62Å
434	A	88.1	Confident	91.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.246	C	C	.	.			trans	-59.6	108	177.2	0	0	0	0	0	111.7	Q390 D430 D439 I440 L443	Q390-A434 PolarHBondContact NE2-O 3.31Å; D430-A434 PolarHBondContact O-N 3.06Å; D430-A434 VanDerWaalsContact O-N 3.15Å; A434-D439 HydrophobicContact CB-CB 3.95Å; A434-D439 WeakPolarHBondContact CB-O 3.32Å; A434-I440 HydrophobicContact CB-CG1 4.17Å; A434-L443 HydrophobicContact CB-CB 4.02Å; A434-L443 HydrophobicContact CB-CD2 4.02Å
435	E	84.1	Confident	91.4	Very high	46 Å²	46	49.7 Å²	49.7	22%	0.215	26%	0.261	C	S	.	.			trans	-141.4	-26.6	-171.2	-74.6	-174.4	-171	0	0	115	L180 W215 S433	L180-E435 WeakPolarHBondContact CD2-O 3.08Å; W215-E435 VanDerWaalsContact NE1-CD 3.31Å; W215-E435 PolarHBondContact NE1-OE1 3.27Å; S433-E435 WeakPolarHBondContact O-CG 3.31Å; S433-E435 PolarHBondContact O-N 2.62Å
436	N	86.5	Confident	91.2	Very high	78 Å²	78	50.5 Å²	50.5	42%	0.417	26%	0.264	S	S	.	.	S	Bend	trans	-92.6	167.3	169.2	64.3	57.1	0	0	0	109.8	D438 D439 I440	N436-D438 VanDerWaalsContact C-N 3.32Å; N436-D438 PolarHBondContact O-N 3.08Å; N436-D438 PolarHBondContact OD1-N 2.92Å; N436-D439 VanDerWaalsContact CG-OD2 3.3Å; N436-D439 PolarHBondContact ND2-OD2 2.83Å; N436-D439 PolarHBondContact O-N 2.92Å; N436-D439 VanDerWaalsContact OD1-CG 3.29Å; N436-D439 PolarHBondContact OD1-N 3.14Å; N436-D439 PolarHBondContact OD1-OD2 2.9Å; N436-I440 WeakPolarHBondContact O-CB 3.31Å; N436-I440 VanDerWaalsContact O-CG1 3.24Å; N436-I440 WeakPolarHBondContact O-CG1 3.4Å; N436-I440 PolarHBondContact O-N 3.11Å
437	S	84.1	Confident	90.8	Very high	45 Å²	45	47.7 Å²	47.7	32%	0.315	25%	0.249	S	C	.	.	H	α-helix	trans	-55.7	-44.2	-175.8	-171.3	0	0	0	0	112.9	E179 I440 D441	E179-S437 WeakPolarHBondContact OE1-CB 3.09Å; E179-S437 PolarHBondContact OE1-OG 2.97Å; S437-I440 PolarHBondContact O-N 2.9Å; S437-D441 PolarHBondContact O-N 2.95Å
438	D	89.4	Confident	90.3	Very high	132 Å²	132	46.9 Å²	46.9	71%	0.706	25%	0.248	S	C	*	.	H	α-helix	trans	-66.1	-46.5	-178.2	-66.7	-26.7	0	0	0	111.7	N436 I440 D441 D442	N436-D438 VanDerWaalsContact C-N 3.32Å; N436-D438 PolarHBondContact O-N 3.08Å; N436-D438 PolarHBondContact OD1-N 2.92Å; D438-I440 VanDerWaalsContact C-N 3.27Å; D438-I440 PolarHBondContact O-N 2.82Å; D438-D441 PolarHBondContact O-N 2.82Å; D438-D442 PolarHBondContact O-N 2.87Å
439	D	90.3	Very high	89.7	Confident	59 Å²	59	53.5 Å²	53.5	32%	0.316	27%	0.272	S	S	.	.	H	α-helix	trans	-66.6	-32.4	178.6	-61	-25.9	0	0	0	111.6	A434 N436 D442 L443	A434-D439 HydrophobicContact CB-CB 3.95Å; A434-D439 WeakPolarHBondContact CB-O 3.32Å; N436-D439 VanDerWaalsContact CG-OD2 3.3Å; N436-D439 PolarHBondContact ND2-OD2 2.83Å; N436-D439 PolarHBondContact O-N 2.92Å; N436-D439 VanDerWaalsContact OD1-CG 3.29Å; N436-D439 PolarHBondContact OD1-N 3.14Å; N436-D439 PolarHBondContact OD1-OD2 2.9Å; D439-D442 PolarHBondContact O-N 3.07Å; D439-L443 PolarHBondContact O-N 2.9Å
440	I	86.9	Confident	89.3	Confident	29 Å²	29	51.5 Å²	51.5	15%	0.149	26%	0.261	C	S	.	.	H	α-helix	trans	-73.7	-39.6	177.7	-70.5	172	0	0	0	111	E179 L180 A434 N436 S437 D438 D442 L443 Y444	E179-I440 WeakPolarHBondContact O-CG2 3.21Å; L180-I440 HydrophobicContact CB-CD1 3.95Å; L180-I440 HydrophobicContact CD2-CD1 4.03Å; A434-I440 HydrophobicContact CB-CG1 4.17Å; N436-I440 WeakPolarHBondContact O-CB 3.31Å; N436-I440 VanDerWaalsContact O-CG1 3.24Å; N436-I440 WeakPolarHBondContact O-CG1 3.4Å; N436-I440 PolarHBondContact O-N 3.11Å; S437-I440 PolarHBondContact O-N 2.9Å; D438-I440 VanDerWaalsContact C-N 3.27Å; D438-I440 PolarHBondContact O-N 2.82Å; I440-D442 VanDerWaalsContact C-N 3.3Å; I440-D442 PolarHBondContact O-N 2.91Å; I440-L443 PolarHBondContact O-N 3.48Å; I440-Y444 VanDerWaalsContact O-CB 3.29Å; I440-Y444 WeakPolarHBondContact O-CB 3.47Å; I440-Y444 PolarHBondContact O-N 2.91Å
441	D	89.3	Confident	89	Confident	81 Å²	81	49.3 Å²	49.3	43%	0.433	25%	0.251	S	S	.	.	H	α-helix	trans	-63.1	-38.7	171.3	-167.7	48.1	0	0	0	110.6	S437 D438 Y444 D445 R449	S437-D441 PolarHBondContact O-N 2.95Å; D438-D441 PolarHBondContact O-N 2.82Å; D441-Y444 CarbonylContact O-C 3.51Å; D441-Y444 WeakPolarHBondContact O-CB 3.45Å; D441-Y444 PolarHBondContact O-N 3.03Å; D441-D445 WeakPolarHBondContact O-CB 3.26Å; D441-D445 VanDerWaalsContact O-CG 3.31Å; D441-D445 PolarHBondContact O-N 2.98Å; D441-R449 IonicContact OD1-NH2 3.86Å; D441-R449 PolarHBondContact OD1-NH2 2.91Å
442	D	92.4	Very high	88.9	Confident	57 Å²	57	51.9 Å²	51.9	31%	0.305	26%	0.26	S	S	.	.	H	α-helix	trans	-63.4	-44.1	173.7	178.3	51.3	0	0	0	112.6	R427 D438 D439 I440 Y444 D445 Y446	R427-D442 IonicContact CZ-OD1 2.67Å; R427-D442 IonicContact CZ-OD2 3.74Å; R427-D442 IonicContact NH1-OD1 3.56Å; R427-D442 IonicContact NH1-OD2 3.62Å; R427-D442 PolarHBondContact NH1-OD2 2.77Å; R427-D442 VanDerWaalsContact NH2-CG 3.3Å; R427-D442 IonicContact NH2-OD1 2.64Å; R427-D442 PolarHBondContact NH2-OD1 2.8Å; R427-D442 IonicContact NH2-OD2 2.89Å; R427-D442 PolarHBondContact NH2-OD2 3.11Å; D438-D442 PolarHBondContact O-N 2.87Å; D439-D442 PolarHBondContact O-N 3.07Å; I440-D442 VanDerWaalsContact C-N 3.3Å; I440-D442 PolarHBondContact O-N 2.91Å; D442-Y444 VanDerWaalsContact C-N 3.29Å; D442-Y444 PolarHBondContact O-N 3.45Å; D442-D445 PolarHBondContact O-N 2.75Å; D442-Y446 VanDerWaalsContact O-CB 3.29Å; D442-Y446 WeakPolarHBondContact O-CB 3.41Å; D442-Y446 PolarHBondContact O-N 2.8Å
443	L	91	Very high	88.9	Confident	8 Å²	8	53.1 Å²	53.1	4%	0.042	26%	0.263	C	S	.	.	H	α-helix	trans	-60.3	-41.3	172.3	177.8	63.1	0	0	0	111.1	Q390 F393 L431 A434 D439 I440 D445 Y446 V447	Q390-L443 HydrophobicContact CB-CD2 4.28Å; Q390-L443 HydrophobicContact CG-CD2 4.05Å; F393-L443 HydrophobicContact CD2-CD1 4.02Å; F393-L443 HydrophobicContact CE2-CD1 3.97Å; F393-L443 HydrophobicContact CZ-CD1 4.49Å; L431-L443 HydrophobicContact CB-CD1 4.33Å; L431-L443 HydrophobicContact CD2-CB 4.5Å; L431-L443 HydrophobicContact CD2-CD1 3.89Å; A434-L443 HydrophobicContact CB-CB 4.02Å; A434-L443 HydrophobicContact CB-CD2 4.02Å; D439-L443 PolarHBondContact O-N 2.9Å; I440-L443 PolarHBondContact O-N 3.48Å; L443-D445 VanDerWaalsContact C-N 3.34Å; L443-Y446 PolarHBondContact O-N 2.74Å; L443-V447 HydrophobicContact CD1-CG2 3.84Å; L443-V447 WeakPolarHBondContact O-CB 3.38Å; L443-V447 WeakPolarHBondContact O-CG2 3.42Å; L443-V447 PolarHBondContact O-N 2.89Å
444	Y	88	Confident	89.3	Confident	119 Å²	119	50.5 Å²	50.5	47%	0.467	25%	0.245	S	C	.	.	I	π-helix	trans	-65.6	-38	178.8	-151.9	-92.2	0	0	0	112.2	I440 D441 D442 F448 R449	I440-Y444 VanDerWaalsContact O-CB 3.29Å; I440-Y444 WeakPolarHBondContact O-CB 3.47Å; I440-Y444 PolarHBondContact O-N 2.91Å; D441-Y444 CarbonylContact O-C 3.51Å; D441-Y444 WeakPolarHBondContact O-CB 3.45Å; D441-Y444 PolarHBondContact O-N 3.03Å; D442-Y444 VanDerWaalsContact C-N 3.29Å; D442-Y444 PolarHBondContact O-N 3.45Å; Y444-F448 HydrophobicContact CD1-CB 4.1Å; Y444-F448 HydrophobicContact CD2-CB 3.71Å; Y444-F448 AromaticContact CD2-CD2 3.44Å; Y444-F448 HydrophobicContact CD2-CD2 3.44Å; Y444-F448 VanDerWaalsContact CD2-CD2 3.44Å; Y444-F448 HydrophobicContact CD2-CE2 4.39Å; Y444-F448 AromaticContact CD2-CG 3.89Å; Y444-F448 HydrophobicContact CD2-CG 3.89Å; Y444-F448 HydrophobicContact CE1-CB 4.04Å; Y444-F448 HydrophobicContact CE2-CB 3.62Å; Y444-F448 AromaticContact CE2-CD2 3.85Å; Y444-F448 HydrophobicContact CE2-CD2 3.85Å; Y444-F448 AromaticContact CE2-CG 3.89Å; Y444-F448 HydrophobicContact CE2-CG 3.89Å; Y444-F448 HydrophobicContact CG-CB 3.95Å; Y444-F448 HydrophobicContact CG-CD2 4.12Å; Y444-F448 HydrophobicContact CG-CG 4.49Å; Y444-F448 PolarHBondContact O-N 2.79Å; Y444-R449 HydrophobicContact CD1-CB 4.36Å; Y444-R449 WeakPolarHBondContact O-CB 3.45Å; Y444-R449 PolarHBondContact O-N 2.62Å
445	D	90.8	Very high	89.6	Confident	62 Å²	62	50.8 Å²	50.8	33%	0.332	25%	0.247	S	C	.	.	I	π-helix	trans	-70.4	-36.9	176.7	-81.5	14.7	0	0	0	112.6	D441 D442 L443 R449 P450	D441-D445 WeakPolarHBondContact O-CB 3.26Å; D441-D445 VanDerWaalsContact O-CG 3.31Å; D441-D445 PolarHBondContact O-N 2.98Å; D442-D445 PolarHBondContact O-N 2.75Å; L443-D445 VanDerWaalsContact C-N 3.34Å; D445-R449 IonicContact OD1-CZ 3.97Å; D445-R449 IonicContact OD1-NE 3.02Å; D445-R449 PolarHBondContact OD1-NE 3.36Å; D445-R449 VanDerWaalsContact OD1-NE 3.11Å; D445-R449 IonicContact OD1-NH1 2.91Å; D445-R449 PolarHBondContact OD1-NH1 3.5Å; D445-R449 IonicContact OD1-NH2 3.22Å; D445-R449 PolarHBondContact OD1-NH2 3.28Å; D445-R449 IonicContact OD2-CZ 3.58Å; D445-R449 IonicContact OD2-NH1 2.73Å; D445-R449 PolarHBondContact OD2-NH1 2.81Å; D445-P450 WeakPolarHBondContact O-CD 3.37Å; D445-P450 WeakPolarHBondContact O-CG 3.4Å
446	Y	93.1	Very high	90.2	Very high	23 Å²	23	50.1 Å²	50.1	9%	0.09	24%	0.243	C	C	.	.	I	π-helix	trans	-73.3	-39.7	177.9	-179	-112.4	0	0	0	112.1	F393 L431 D442 L443 P450 R452 V457 D460 F461	F393-Y446 HydrophobicContact CE1-CD1 4.27Å; F393-Y446 AromaticContact CE1-CE1 3.77Å; F393-Y446 HydrophobicContact CE1-CE1 3.77Å; F393-Y446 HydrophobicContact CZ-CD1 4.17Å; F393-Y446 AromaticContact CZ-CE1 3.88Å; F393-Y446 HydrophobicContact CZ-CE1 3.88Å; L431-Y446 HydrophobicContact CD1-CD1 3.63Å; L431-Y446 HydrophobicContact CD1-CE1 3.63Å; L431-Y446 HydrophobicContact CD1-CG 4.42Å; L431-Y446 HydrophobicContact CD2-CD1 3.79Å; L431-Y446 HydrophobicContact CD2-CG 4.16Å; L431-Y446 HydrophobicContact CG-CD1 4.39Å; D442-Y446 VanDerWaalsContact O-CB 3.29Å; D442-Y446 WeakPolarHBondContact O-CB 3.41Å; D442-Y446 PolarHBondContact O-N 2.8Å; L443-Y446 PolarHBondContact O-N 2.74Å; Y446-P450 WeakPolarHBondContact O-CG 3.13Å; Y446-R452 PolarHBondContact O-NE 2.89Å; Y446-V457 HydrophobicContact CE1-CG1 4.5Å; Y446-V457 HydrophobicContact CE1-CG2 4.16Å; Y446-D460 WeakPolarHBondContact CE2-OD2 3.43Å; Y446-D460 WeakPolarHBondContact OH-CB 3.48Å; Y446-D460 PolarHBondContact OH-OD2 3.42Å; Y446-F461 HydrophobicContact CE1-CE2 4.48Å; Y446-F461 WeakPolarHBondContact OH-CE2 3.4Å
447	V	90.7	Very high	90.7	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.006	22%	0.224	C	C	.	.	I	π-helix	trans	-112.7	-64.6	-168.8	-173.8	0	0	0	0	113.7	T387 P388 F393 L443 P450 C451 R452	T387-V447 HydrophobicContact CG2-CG1 3.68Å; P388-V447 HydrophobicContact CG-CG1 3.91Å; P388-V447 WeakPolarHBondContact O-CG1 3.29Å; F393-V447 HydrophobicContact CE2-CG2 3.6Å; F393-V447 HydrophobicContact CZ-CG2 3.44Å; F393-V447 VanDerWaalsContact CZ-CG2 3.44Å; L443-V447 HydrophobicContact CD1-CG2 3.84Å; L443-V447 WeakPolarHBondContact O-CB 3.38Å; L443-V447 WeakPolarHBondContact O-CG2 3.42Å; L443-V447 PolarHBondContact O-N 2.89Å; V447-P450 WeakPolarHBondContact O-CD 3.32Å; V447-C451 CarbonylContact O-C 3.56Å; V447-C451 VanDerWaalsContact O-CA 3.23Å; V447-C451 WeakPolarHBondContact O-CA 3.42Å; V447-C451 PolarHBondContact O-N 3.31Å; V447-R452 PolarHBondContact O-N 3.07Å
448	F	85.5	Confident	91.4	Very high	58 Å²	58	44.3 Å²	44.3	25%	0.254	21%	0.209	S	C	.	.	I	π-helix	trans	-76.5	-44.2	-164.4	-64.8	-67.1	0	0	0	112.4	T387 Y444 C451	T387-F448 HydrophobicContact CG2-CD1 3.87Å; T387-F448 HydrophobicContact CG2-CE1 4.03Å; Y444-F448 HydrophobicContact CD1-CB 4.1Å; Y444-F448 HydrophobicContact CD2-CB 3.71Å; Y444-F448 AromaticContact CD2-CD2 3.44Å; Y444-F448 HydrophobicContact CD2-CD2 3.44Å; Y444-F448 VanDerWaalsContact CD2-CD2 3.44Å; Y444-F448 HydrophobicContact CD2-CE2 4.39Å; Y444-F448 AromaticContact CD2-CG 3.89Å; Y444-F448 HydrophobicContact CD2-CG 3.89Å; Y444-F448 HydrophobicContact CE1-CB 4.04Å; Y444-F448 HydrophobicContact CE2-CB 3.62Å; Y444-F448 AromaticContact CE2-CD2 3.85Å; Y444-F448 HydrophobicContact CE2-CD2 3.85Å; Y444-F448 AromaticContact CE2-CG 3.89Å; Y444-F448 HydrophobicContact CE2-CG 3.89Å; Y444-F448 HydrophobicContact CG-CB 3.95Å; Y444-F448 HydrophobicContact CG-CD2 4.12Å; Y444-F448 HydrophobicContact CG-CG 4.49Å; Y444-F448 PolarHBondContact O-N 2.79Å; F448-C451 PolarHBondContact O-N 2.97Å; F448-C451 PolarHBondContact O-SG 3.37Å; F448-C451 VanDerWaalsContact O-SG 3.41Å
449	R	86.1	Confident	91.7	Very high	138 Å²	138	40.3 Å²	40.3	52%	0.521	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-43.9	178	-168	174.5	-70	167.8	8.8	112.9	D441 Y444 D445	D441-R449 IonicContact OD1-NH2 3.86Å; D441-R449 PolarHBondContact OD1-NH2 2.91Å; Y444-R449 HydrophobicContact CD1-CB 4.36Å; Y444-R449 WeakPolarHBondContact O-CB 3.45Å; Y444-R449 PolarHBondContact O-N 2.62Å; D445-R449 IonicContact OD1-CZ 3.97Å; D445-R449 IonicContact OD1-NE 3.02Å; D445-R449 PolarHBondContact OD1-NE 3.36Å; D445-R449 VanDerWaalsContact OD1-NE 3.11Å; D445-R449 IonicContact OD1-NH1 2.91Å; D445-R449 PolarHBondContact OD1-NH1 3.5Å; D445-R449 IonicContact OD1-NH2 3.22Å; D445-R449 PolarHBondContact OD1-NH2 3.28Å; D445-R449 IonicContact OD2-CZ 3.58Å; D445-R449 IonicContact OD2-NH1 2.73Å; D445-R449 PolarHBondContact OD2-NH1 2.81Å
450	P	88.5	Confident	92.1	Very high	5 Å²	5	40.2 Å²	40.2	3%	0.032	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-6	170.9	29.8	-35	0	0	0	114.5	D445 Y446 V447 R452 L508 R512	D445-P450 WeakPolarHBondContact O-CD 3.37Å; D445-P450 WeakPolarHBondContact O-CG 3.4Å; Y446-P450 WeakPolarHBondContact O-CG 3.13Å; V447-P450 WeakPolarHBondContact O-CD 3.32Å; P450-R452 VanDerWaalsContact C-N 3.3Å; P450-R452 HydrophobicContact CG-CB 4.23Å; P450-R452 PolarHBondContact O-N 3.08Å; P450-L508 HydrophobicContact CB-CD1 3.9Å; P450-R512 VanDerWaalsContact O-CZ 3.32Å; P450-R512 PolarHBondContact O-NE 3.11Å; P450-R512 PolarHBondContact O-NH2 3.38Å
451	C	87.3	Confident	92.6	Very high	30 Å²	30	39.2 Å²	39.2	20%	0.203	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	50.4	-166.2	-50.6	0	0	0	0	111.8	V447 F448 R512	V447-C451 CarbonylContact O-C 3.56Å; V447-C451 VanDerWaalsContact O-CA 3.23Å; V447-C451 WeakPolarHBondContact O-CA 3.42Å; V447-C451 PolarHBondContact O-N 3.31Å; F448-C451 PolarHBondContact O-N 2.97Å; F448-C451 PolarHBondContact O-SG 3.37Å; F448-C451 VanDerWaalsContact O-SG 3.41Å; C451-R512 HydrophobicContact CB-CG 4.35Å; C451-R512 PolarHBondContact O-NE 2.85Å
452	R	92.4	Very high	92.9	Very high	55 Å²	55	38.1 Å²	38.1	21%	0.208	19%	0.186	C	C	.	.			trans	-62.1	136	-178.7	-166.1	177.8	-64.8	-102.7	1.1	109.8	P388 Y446 V447 P450 E456 V457 D460	P388-R452 WeakPolarHBondContact CD-O 3.3Å; Y446-R452 PolarHBondContact O-NE 2.89Å; V447-R452 PolarHBondContact O-N 3.07Å; P450-R452 VanDerWaalsContact C-N 3.3Å; P450-R452 HydrophobicContact CG-CB 4.23Å; P450-R452 PolarHBondContact O-N 3.08Å; R452-E456 WeakPolarHBondContact CA-OE2 3.23Å; R452-E456 HydrophobicContact CG-CB 3.79Å; R452-V457 HydrophobicContact CG-CG2 3.88Å; R452-D460 WeakPolarHBondContact CD-OD2 3.25Å; R452-D460 IonicContact CZ-OD2 2.61Å; R452-D460 IonicContact NE-OD2 2.82Å; R452-D460 VanDerWaalsContact NH1-CG 3.29Å; R452-D460 IonicContact NH1-OD1 2.65Å; R452-D460 PolarHBondContact NH1-OD1 3.34Å; R452-D460 IonicContact NH1-OD2 2.92Å; R452-D460 PolarHBondContact NH1-OD2 3.42Å
453	R	93.7	Very high	93.1	Very high	35 Å²	35	36.4 Å²	36.4	13%	0.132	18%	0.177	C	C	.	.			trans	-92.6	157.1	-178.5	-60.2	179.1	-68	154.7	7.3	111.1	D331 N385 A386 V455 E456 V457	D331-R453 IonicContact OD1-CZ 3.85Å; D331-R453 IonicContact OD1-NH1 2.82Å; D331-R453 PolarHBondContact OD1-NH1 3.39Å; D331-R453 IonicContact OD1-NH2 3.14Å; D331-R453 IonicContact OD2-NH1 2.99Å; N385-R453 WeakPolarHBondContact OD1-CD 3.47Å; N385-R453 PolarHBondContact OD1-NH1 3.12Å; A386-R453 WeakPolarHBondContact O-CA 3.33Å; R453-V455 VanDerWaalsContact C-N 3.3Å; R453-V455 HydrophobicContact CB-CG1 4.33Å; R453-V455 PolarHBondContact O-N 2.7Å; R453-E456 HydrophobicContact CB-CG 4.2Å; R453-E456 IonicContact CZ-OE1 2.88Å; R453-E456 PolarHBondContact N-OE2 2.94Å; R453-E456 IonicContact NE-OE1 3.79Å; R453-E456 PolarHBondContact NE-OE1 2.92Å; R453-E456 IonicContact NH2-OE1 2.67Å; R453-E456 PolarHBondContact NH2-OE1 3.34Å; R453-E456 WeakPolarHBondContact O-CA 3.36Å; R453-E456 WeakPolarHBondContact O-CB 3.41Å; R453-E456 PolarHBondContact O-N 2.95Å; R453-V457 PolarHBondContact O-N 3.44Å
454	V	96.2	Very high	93.4	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-51.1	-48.1	176.3	169.8	0	0	0	0	111.9	L384 A386 P388 F392 E456 V457 L458 L477 P478	L384-V454 PolarHBondContact O-N 3.04Å; A386-V454 HydrophobicContact CB-CG2 4.26Å; A386-V454 WeakPolarHBondContact O-CG2 3.43Å; A386-V454 PolarHBondContact O-N 2.9Å; P388-V454 HydrophobicContact CB-CG2 4.1Å; P388-V454 HydrophobicContact CG-CG2 4.48Å; F392-V454 HydrophobicContact CE2-CG1 3.91Å; F392-V454 HydrophobicContact CE2-CG2 4.49Å; F392-V454 HydrophobicContact CZ-CG1 4.2Å; V454-E456 PolarHBondContact O-N 2.72Å; V454-V457 PolarHBondContact O-N 2.92Å; V454-V457 VanDerWaalsContact O-N 3.11Å; V454-L458 HydrophobicContact CG1-CD1 4.35Å; V454-L458 HydrophobicContact CG1-CG 4.46Å; V454-L458 WeakPolarHBondContact O-CG 3.34Å; V454-L458 PolarHBondContact O-N 2.78Å; V454-L477 HydrophobicContact CG1-CD2 4.02Å; V454-P478 HydrophobicContact CG2-CG 3.63Å
455	V	96.1	Very high	93.8	Very high	6 Å²	6	30.3 Å²	30.3	4%	0.036	15%	0.153	C	C	.	.	H	α-helix	trans	-61	-30.2	179.2	69.1	0	0	0	0	113.1	F335 I338 L384 R453 A459	F335-V455 HydrophobicContact CB-CG2 4.36Å; I338-V455 HydrophobicContact CD1-CG2 4.07Å; I338-V455 WeakPolarHBondContact CD1-O 3.36Å; L384-V455 HydrophobicContact CB-CB 4.3Å; L384-V455 PolarHBondContact O-N 3.23Å; R453-V455 VanDerWaalsContact C-N 3.3Å; R453-V455 HydrophobicContact CB-CG1 4.33Å; R453-V455 PolarHBondContact O-N 2.7Å; V455-A459 PolarHBondContact O-N 3.3Å; V455-A459 VanDerWaalsContact O-N 3.17Å
456	E	95.6	Very high	94	Very high	32 Å²	32	29.1 Å²	29.1	15%	0.15	15%	0.149	C	C	.	.	H	α-helix	trans	-76	-38.9	176.8	-62.5	170.7	171.3	0	0	111	R452 R453 V454 L458 A459 D460 R512	R452-E456 WeakPolarHBondContact CA-OE2 3.23Å; R452-E456 HydrophobicContact CG-CB 3.79Å; R453-E456 HydrophobicContact CB-CG 4.2Å; R453-E456 IonicContact CZ-OE1 2.88Å; R453-E456 PolarHBondContact N-OE2 2.94Å; R453-E456 IonicContact NE-OE1 3.79Å; R453-E456 PolarHBondContact NE-OE1 2.92Å; R453-E456 IonicContact NH2-OE1 2.67Å; R453-E456 PolarHBondContact NH2-OE1 3.34Å; R453-E456 WeakPolarHBondContact O-CA 3.36Å; R453-E456 WeakPolarHBondContact O-CB 3.41Å; R453-E456 PolarHBondContact O-N 2.95Å; V454-E456 PolarHBondContact O-N 2.72Å; E456-L458 VanDerWaalsContact C-N 3.35Å; E456-A459 WeakPolarHBondContact O-CB 3.26Å; E456-A459 PolarHBondContact O-N 3.48Å; E456-A459 VanDerWaalsContact O-N 3.16Å; E456-D460 PolarHBondContact O-N 2.82Å; E456-D460 VanDerWaalsContact O-N 3.1Å; E456-R512 IonicContact OE1-CZ 2.83Å; E456-R512 IonicContact OE1-NH1 3.81Å; E456-R512 PolarHBondContact OE1-NH1 3.19Å; E456-R512 IonicContact OE2-CZ 3.74Å; E456-R512 IonicContact OE2-NH1 3.49Å; E456-R512 PolarHBondContact OE2-NH1 3.4Å; E456-R512 IonicContact OE2-NH2 3.77Å; E456-R512 PolarHBondContact OE2-NH2 3.18Å; E456-R512 VanDerWaalsContact OE2-NH2 3.14Å
457	V	97.2	Very high	94.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.9	-45.1	172.5	177.3	0	0	0	0	110.4	P388 F392 F393 Y446 R452 R453 V454 A459 D460 F461	P388-V457 HydrophobicContact CG-CG2 3.8Å; F392-V457 HydrophobicContact CE1-CB 4.3Å; F392-V457 HydrophobicContact CE1-CG1 3.72Å; F392-V457 HydrophobicContact CZ-CG1 4.33Å; F393-V457 HydrophobicContact CE1-CG1 3.83Å; F393-V457 HydrophobicContact CZ-CG1 4.26Å; F393-V457 HydrophobicContact CZ-CG2 4.18Å; Y446-V457 HydrophobicContact CE1-CG1 4.5Å; Y446-V457 HydrophobicContact CE1-CG2 4.16Å; R452-V457 HydrophobicContact CG-CG2 3.88Å; R453-V457 PolarHBondContact O-N 3.44Å; V454-V457 PolarHBondContact O-N 2.92Å; V454-V457 VanDerWaalsContact O-N 3.11Å; V457-A459 PolarHBondContact O-N 3.49Å; V457-D460 WeakPolarHBondContact O-CB 3.19Å; V457-D460 PolarHBondContact O-N 2.92Å; V457-F461 HydrophobicContact CG1-CD2 3.89Å; V457-F461 HydrophobicContact CG1-CE2 3.83Å; V457-F461 VanDerWaalsContact O-CD2 3.23Å; V457-F461 WeakPolarHBondContact O-CD2 3.24Å; V457-F461 PolarHBondContact O-N 3.02Å
458	L	98	Very high	94.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-56.9	-38.1	174.8	-64.8	177.6	0	0	0	111.7	F335 I338 F392 Y396 V454 E456 D460 F461 S465 L468 L477	F335-L458 HydrophobicContact CD2-CD1 3.96Å; F335-L458 HydrophobicContact CE2-CD1 4.21Å; I338-L458 HydrophobicContact CG2-CB 3.92Å; I338-L458 WeakPolarHBondContact CG2-O 3.47Å; F392-L458 HydrophobicContact CZ-CD2 4.41Å; Y396-L458 HydrophobicContact CE1-CD2 4.31Å; Y396-L458 HydrophobicContact CE2-CD2 4.4Å; V454-L458 HydrophobicContact CG1-CD1 4.35Å; V454-L458 HydrophobicContact CG1-CG 4.46Å; V454-L458 WeakPolarHBondContact O-CG 3.34Å; V454-L458 PolarHBondContact O-N 2.78Å; E456-L458 VanDerWaalsContact C-N 3.35Å; L458-D460 VanDerWaalsContact C-N 3.32Å; L458-D460 PolarHBondContact O-N 3.36Å; L458-F461 CarbonylContact O-C 3.56Å; L458-F461 PolarHBondContact O-N 3.46Å; L458-S465 WeakPolarHBondContact CA-OG 3.28Å; L458-S465 PolarHBondContact O-OG 3.36Å; L458-L468 HydrophobicContact CD2-CD1 4.12Å; L458-L477 HydrophobicContact CD1-CD2 4.01Å; L458-L477 HydrophobicContact CD2-CD2 4.29Å
459	A	97.1	Very high	94.4	Very high	48 Å²	48	29.6 Å²	29.6	40%	0.397	16%	0.158	S	C	.	.	H	α-helix	trans	-66.3	-31.3	176.8	0	0	0	0	0	113.4	I338 V455 E456 V457 F461	I338-A459 HydrophobicContact CD1-CB 3.64Å; I338-A459 HydrophobicContact CG1-CB 4.16Å; V455-A459 PolarHBondContact O-N 3.3Å; V455-A459 VanDerWaalsContact O-N 3.17Å; E456-A459 WeakPolarHBondContact O-CB 3.26Å; E456-A459 PolarHBondContact O-N 3.48Å; E456-A459 VanDerWaalsContact O-N 3.16Å; V457-A459 PolarHBondContact O-N 3.49Å; A459-F461 VanDerWaalsContact C-N 3.32Å
460	D	97.2	Very high	94.5	Very high	58 Å²	58	23.4 Å²	23.4	31%	0.31	14%	0.135	S	C	.	.	H	α-helix	trans	-72.9	-23.9	178.6	-64.7	-37	0	0	0	113.2	R420 Y446 R452 E456 V457 L458 P462	R420-D460 PolarHBondContact NH2-O 3.1Å; Y446-D460 WeakPolarHBondContact CE2-OD2 3.43Å; Y446-D460 WeakPolarHBondContact OH-CB 3.48Å; Y446-D460 PolarHBondContact OH-OD2 3.42Å; R452-D460 WeakPolarHBondContact CD-OD2 3.25Å; R452-D460 IonicContact CZ-OD2 2.61Å; R452-D460 IonicContact NE-OD2 2.82Å; R452-D460 VanDerWaalsContact NH1-CG 3.29Å; R452-D460 IonicContact NH1-OD1 2.65Å; R452-D460 PolarHBondContact NH1-OD1 3.34Å; R452-D460 IonicContact NH1-OD2 2.92Å; R452-D460 PolarHBondContact NH1-OD2 3.42Å; E456-D460 PolarHBondContact O-N 2.82Å; E456-D460 VanDerWaalsContact O-N 3.1Å; V457-D460 WeakPolarHBondContact O-CB 3.19Å; V457-D460 PolarHBondContact O-N 2.92Å; L458-D460 VanDerWaalsContact C-N 3.32Å; L458-D460 PolarHBondContact O-N 3.36Å; D460-P462 WeakPolarHBondContact O-CD 3.36Å
461	F	98.1	Very high	94.4	Very high	7 Å²	7	27.6 Å²	27.6	3%	0.031	15%	0.154	C	C	.	.	S	Bend	trans	-114.4	61.6	179.2	-60.2	-81.3	0	0	0	111.4	Y396 E424 R427 L428 L431 Y446 V457 L458 A459 V463 T464 S465	Y396-F461 HydrophobicContact CE1-CB 3.93Å; Y396-F461 AromaticContact CE1-CD2 3.88Å; Y396-F461 HydrophobicContact CE1-CD2 3.88Å; Y396-F461 HydrophobicContact CE1-CG 4.06Å; Y396-F461 PolarHBondContact OH-O 2.99Å; E424-F461 HydrophobicContact CB-CD1 3.89Å; E424-F461 HydrophobicContact CG-CD1 3.92Å; R427-F461 HydrophobicContact CB-CE1 4.02Å; R427-F461 HydrophobicContact CG-CE1 3.85Å; R427-F461 HydrophobicContact CG-CZ 3.9Å; L428-F461 HydrophobicContact CD1-CD1 4.09Å; L428-F461 HydrophobicContact CD1-CE1 4.38Å; L428-F461 HydrophobicContact CD1-CG 4.42Å; L428-F461 HydrophobicContact CD2-CD1 4.09Å; L428-F461 HydrophobicContact CD2-CD2 4.03Å; L428-F461 HydrophobicContact CD2-CE1 3.79Å; L428-F461 HydrophobicContact CD2-CE2 3.74Å; L428-F461 HydrophobicContact CD2-CG 4.22Å; L428-F461 HydrophobicContact CD2-CZ 3.62Å; L428-F461 HydrophobicContact CG-CD1 3.78Å; L428-F461 HydrophobicContact CG-CE1 3.57Å; L428-F461 HydrophobicContact CG-CE2 4.44Å; L428-F461 HydrophobicContact CG-CG 4.31Å; L428-F461 HydrophobicContact CG-CZ 3.94Å; L431-F461 HydrophobicContact CD1-CE2 4.46Å; L431-F461 HydrophobicContact CD1-CZ 3.94Å; Y446-F461 HydrophobicContact CE1-CE2 4.48Å; Y446-F461 WeakPolarHBondContact OH-CE2 3.4Å; V457-F461 HydrophobicContact CG1-CD2 3.89Å; V457-F461 HydrophobicContact CG1-CE2 3.83Å; V457-F461 VanDerWaalsContact O-CD2 3.23Å; V457-F461 WeakPolarHBondContact O-CD2 3.24Å; V457-F461 PolarHBondContact O-N 3.02Å; L458-F461 CarbonylContact O-C 3.56Å; L458-F461 PolarHBondContact O-N 3.46Å; A459-F461 VanDerWaalsContact C-N 3.32Å; F461-V463 PolarHBondContact O-N 3.04Å; F461-T464 PolarHBondContact O-N 3.5Å; F461-S465 VanDerWaalsContact O-CB 3.29Å; F461-S465 WeakPolarHBondContact O-CB 3.24Å; F461-S465 PolarHBondContact O-N 3.02Å; F461-S465 PolarHBondContact O-OG 3.48Å
462	P	96.3	Very high	94.6	Very high	59 Å²	59	28.4 Å²	28.4	38%	0.383	15%	0.153	S	C	.	.	H	α-helix	trans	-65	-34.5	-168	26.5	-37.2	0	0	0	113.9	E424 D460 S466	E424-P462 WeakPolarHBondContact OE1-CD 3.35Å; D460-P462 WeakPolarHBondContact O-CD 3.36Å; P462-S466 VanDerWaalsContact O-CB 3.28Å; P462-S466 WeakPolarHBondContact O-CB 3.1Å; P462-S466 PolarHBondContact O-N 3.13Å; P462-S466 PolarHBondContact O-OG 3.34Å
463	V	96.5	Very high	94.6	Very high	20 Å²	20	25.8 Å²	25.8	12%	0.121	14%	0.143	C	C	.	.	H	α-helix	trans	-70.4	-49.3	179.7	-178.9	0	0	0	0	109.5	I416 D417 R420 L421 E424 F461 S465 S466 L467	I416-V463 HydrophobicContact CG2-CG1 4.08Å; D417-V463 HydrophobicContact CB-CG2 4.4Å; R420-V463 HydrophobicContact CB-CG2 3.96Å; R420-V463 HydrophobicContact CG-CB 4.33Å; R420-V463 HydrophobicContact CG-CG2 3.42Å; R420-V463 VanDerWaalsContact CG-CG2 3.42Å; L421-V463 HydrophobicContact CB-CG1 3.95Å; L421-V463 HydrophobicContact CD1-CG1 4.29Å; E424-V463 PolarHBondContact OE1-N 2.84Å; E424-V463 PolarHBondContact OE2-N 2.96Å; F461-V463 PolarHBondContact O-N 3.04Å; V463-S465 PolarHBondContact O-N 3.22Å; V463-S466 PolarHBondContact O-N 2.94Å; V463-S466 PolarHBondContact O-OG 3.11Å; V463-L467 WeakPolarHBondContact O-CG 3.29Å; V463-L467 PolarHBondContact O-N 2.99Å
464	T	97	Very high	94.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-58.7	-47.3	176.6	-52.1	0	0	0	0	111.2	Y396 F399 A400 E424 L428 F461 S466 L467	Y396-T464 HydrophobicContact CD2-CG2 4.24Å; Y396-T464 HydrophobicContact CE2-CG2 3.46Å; Y396-T464 VanDerWaalsContact CE2-CG2 3.46Å; Y396-T464 WeakPolarHBondContact OH-CB 3.29Å; F399-T464 HydrophobicContact CD1-CG2 4.01Å; F399-T464 HydrophobicContact CE1-CG2 4.16Å; A400-T464 HydrophobicContact CB-CG2 3.59Å; E424-T464 WeakPolarHBondContact OE2-CB 3.31Å; E424-T464 PolarHBondContact OE2-N 2.7Å; E424-T464 PolarHBondContact OE2-OG1 3.01Å; L428-T464 HydrophobicContact CD1-CG2 4.16Å; F461-T464 PolarHBondContact O-N 3.5Å; T464-S466 VanDerWaalsContact C-N 3.31Å; T464-S466 PolarHBondContact O-N 2.83Å; T464-L467 PolarHBondContact O-N 3.44Å; T464-L467 VanDerWaalsContact O-N 3.1Å
465	S	97.1	Very high	94.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.1	-37.8	178.2	-69.8	0	0	0	0	112.8	Y396 L458 F461 V463 L467 L468	Y396-S465 WeakPolarHBondContact OH-CA 3.35Å; Y396-S465 PolarHBondContact OH-N 3.41Å; Y396-S465 VanDerWaalsContact OH-N 3.15Å; Y396-S465 PolarHBondContact OH-OG 3.14Å; L458-S465 WeakPolarHBondContact CA-OG 3.28Å; L458-S465 PolarHBondContact O-OG 3.36Å; F461-S465 VanDerWaalsContact O-CB 3.29Å; F461-S465 WeakPolarHBondContact O-CB 3.24Å; F461-S465 PolarHBondContact O-N 3.02Å; F461-S465 PolarHBondContact O-OG 3.48Å; V463-S465 PolarHBondContact O-N 3.22Å; S465-L467 PolarHBondContact O-N 3.29Å; S465-L468 WeakPolarHBondContact O-CB 3.38Å; S465-L468 WeakPolarHBondContact O-CG 3.49Å; S465-L468 PolarHBondContact O-N 2.92Å
466	S	94.7	Very high	94.1	Very high	36 Å²	36	25.8 Å²	25.8	25%	0.252	15%	0.145	S	C	.	.	H	α-helix	trans	-69.3	-13.8	178.5	75.3	0	0	0	0	114.3	P462 V463 T464	P462-S466 VanDerWaalsContact O-CB 3.28Å; P462-S466 WeakPolarHBondContact O-CB 3.1Å; P462-S466 PolarHBondContact O-N 3.13Å; P462-S466 PolarHBondContact O-OG 3.34Å; V463-S466 PolarHBondContact O-N 2.94Å; V463-S466 PolarHBondContact O-OG 3.11Å; T464-S466 VanDerWaalsContact C-N 3.31Å; T464-S466 PolarHBondContact O-N 2.83Å
467	L	94	Very high	94.1	Very high	28 Å²	28	24.6 Å²	24.6	15%	0.147	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-7.2	177.8	-64.5	173.2	0	0	0	112.5	F399 C403 I416 L421 V463 T464 S465 T469	F399-L467 HydrophobicContact CE1-CB 4.49Å; F399-L467 HydrophobicContact CZ-CB 4.33Å; F399-L467 WeakPolarHBondContact CZ-O 3.18Å; C403-L467 HydrophobicContact CB-CD1 4.02Å; I416-L467 HydrophobicContact CD1-CD2 3.76Å; I416-L467 HydrophobicContact CG1-CD2 4.11Å; I416-L467 HydrophobicContact CG2-CD1 4.41Å; L421-L467 HydrophobicContact CD1-CD1 4.28Å; L421-L467 HydrophobicContact CD2-CD1 4.2Å; V463-L467 WeakPolarHBondContact O-CG 3.29Å; V463-L467 PolarHBondContact O-N 2.99Å; T464-L467 PolarHBondContact O-N 3.44Å; T464-L467 VanDerWaalsContact O-N 3.1Å; S465-L467 PolarHBondContact O-N 3.29Å; L467-T469 WeakPolarHBondContact O-CG2 3.37Å; L467-T469 PolarHBondContact O-N 3.22Å
468	L	93.6	Very high	93.8	Very high	6 Å²	6	26.6 Å²	26.6	3%	0.031	15%	0.153	C	C	.	.			trans	-55.6	135.8	178.3	-74.5	171.4	0	0	0	110.2	T339 L341 Y396 F399 L458 S465 I476	T339-L468 HydrophobicContact CG2-CD1 3.91Å; L341-L468 WeakPolarHBondContact CD2-O 3.44Å; Y396-L468 HydrophobicContact CE2-CD2 4.45Å; F399-L468 HydrophobicContact CD1-CD2 3.95Å; F399-L468 HydrophobicContact CE1-CD2 3.62Å; F399-L468 HydrophobicContact CE1-CG 4.14Å; F399-L468 HydrophobicContact CZ-CD2 3.95Å; F399-L468 HydrophobicContact CZ-CG 4.47Å; L458-L468 HydrophobicContact CD2-CD1 4.12Å; S465-L468 WeakPolarHBondContact O-CB 3.38Å; S465-L468 WeakPolarHBondContact O-CG 3.49Å; S465-L468 PolarHBondContact O-N 2.92Å; L468-I476 HydrophobicContact CD2-CD1 3.47Å; L468-I476 VanDerWaalsContact CD2-CD1 3.47Å
469	T	89.8	Confident	93.4	Very high	58 Å²	58	28.2 Å²	28.2	36%	0.356	17%	0.17	S	C	.	.			trans	-123	158.3	175.3	71.1	0	0	0	0	109.8	L467 Q471 Y472 I473	L467-T469 WeakPolarHBondContact O-CG2 3.37Å; L467-T469 PolarHBondContact O-N 3.22Å; T469-Q471 PolarHBondContact O-N 2.96Å; T469-Q471 VanDerWaalsContact O-N 3.11Å; T469-Y472 PolarHBondContact O-N 2.99Å; T469-Y472 VanDerWaalsContact O-N 3.13Å; T469-Y472 VanDerWaalsContact OG1-CD2 3.27Å; T469-Y472 WeakPolarHBondContact OG1-CD2 3.25Å; T469-I473 PolarHBondContact O-N 3.02Å; T469-I473 VanDerWaalsContact O-N 3.14Å
470	L	88	Confident	93.1	Very high	9 Å²	9	28 Å²	28	5%	0.047	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-26.3	176.5	-68.2	174.9	0	0	0	113.5	C235 E345 V347 I374 Y472	C235-L470 HydrophobicContact CB-CD1 4.44Å; C235-L470 VanDerWaalsContact SG-CB 3.53Å; E345-L470 HydrophobicContact CB-CD1 3.55Å; E345-L470 HydrophobicContact CG-CD1 4.42Å; V347-L470 HydrophobicContact CG1-CB 3.76Å; V347-L470 HydrophobicContact CG1-CD1 3.67Å; V347-L470 HydrophobicContact CG1-CD2 3.98Å; V347-L470 HydrophobicContact CG1-CG 4.01Å; I374-L470 HydrophobicContact CB-CD2 3.77Å; I374-L470 HydrophobicContact CD1-CD2 3.6Å; I374-L470 HydrophobicContact CG1-CD2 3.75Å; L470-Y472 VanDerWaalsContact C-N 3.35Å; L470-Y472 PolarHBondContact O-N 3.14Å
471	Q	87	Confident	92.9	Very high	93 Å²	93	25.4 Å²	25.4	44%	0.435	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-34	179.1	-173.5	176.3	15	0	0	113.2	T469	T469-Q471 PolarHBondContact O-N 2.96Å; T469-Q471 VanDerWaalsContact O-N 3.11Å
472	Y	90.8	Very high	92.5	Very high	46 Å²	46	29.7 Å²	29.7	18%	0.18	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-13.3	-172.6	-56.2	-63.2	0	0	0	113.6	F225 W228 F399 T469 L470 L474 D475 I476	F225-Y472 HydrophobicContact CE2-CD1 4.18Å; F225-Y472 HydrophobicContact CE2-CE1 4.01Å; F225-Y472 HydrophobicContact CZ-CD1 4.26Å; F225-Y472 AromaticContact CZ-CE1 3.61Å; F225-Y472 HydrophobicContact CZ-CE1 3.61Å; F225-Y472 AromaticContact CZ-CZ 3.91Å; W228-Y472 HydrophobicContact CE3-CD1 4.12Å; F399-Y472 HydrophobicContact CD2-CD2 4.09Å; F399-Y472 HydrophobicContact CD2-CG 4.16Å; F399-Y472 AromaticContact CE2-CD2 3.7Å; F399-Y472 HydrophobicContact CE2-CD2 3.7Å; F399-Y472 HydrophobicContact CE2-CE2 4.48Å; F399-Y472 HydrophobicContact CE2-CG 4.19Å; T469-Y472 PolarHBondContact O-N 2.99Å; T469-Y472 VanDerWaalsContact O-N 3.13Å; T469-Y472 VanDerWaalsContact OG1-CD2 3.27Å; T469-Y472 WeakPolarHBondContact OG1-CD2 3.25Å; L470-Y472 VanDerWaalsContact C-N 3.35Å; L470-Y472 PolarHBondContact O-N 3.14Å; Y472-L474 VanDerWaalsContact C-N 3.27Å; Y472-L474 PolarHBondContact O-N 2.86Å; Y472-D475 PolarHBondContact O-N 3.03Å; Y472-I476 WeakPolarHBondContact O-CG1 3.25Å; Y472-I476 PolarHBondContact O-N 2.91Å
473	I	92.2	Very high	92.3	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-63.5	-31.3	-170	-162.7	164.1	0	0	0	113.5	F335 L341 I374 F382 T469 D475 I476 L477	F335-I473 HydrophobicContact CE2-CD1 4.19Å; F335-I473 HydrophobicContact CZ-CD1 3.73Å; L341-I473 HydrophobicContact CD1-CD1 3.73Å; I374-I473 HydrophobicContact CD1-CD1 4.21Å; F382-I473 HydrophobicContact CE2-CD1 4.23Å; F382-I473 HydrophobicContact CE2-CG1 4.38Å; F382-I473 HydrophobicContact CZ-CD1 4.37Å; F382-I473 HydrophobicContact CZ-CG1 4.04Å; F382-I473 HydrophobicContact CZ-CG2 3.92Å; T469-I473 PolarHBondContact O-N 3.02Å; T469-I473 VanDerWaalsContact O-N 3.14Å; I473-D475 VanDerWaalsContact C-N 3.31Å; I473-D475 PolarHBondContact O-N 3.11Å; I473-I476 PolarHBondContact O-N 3.09Å; I473-L477 HydrophobicContact CD1-CD1 3.7Å; I473-L477 HydrophobicContact CD1-CG 4.43Å; I473-L477 HydrophobicContact CG1-CD1 3.48Å; I473-L477 VanDerWaalsContact CG1-CD1 3.48Å; I473-L477 HydrophobicContact CG1-CG 3.72Å; I473-L477 PolarHBondContact O-N 2.97Å
474	L	91.1	Very high	92.1	Very high	20 Å²	20	32.5 Å²	32.5	11%	0.105	18%	0.179	C	C	.	.	H	α-helix	trans	-72.3	-22.4	177	-69.1	171.9	0	0	0	113.2	Y231 V233 I349 Y381 F382 Y472	Y231-L474 HydrophobicContact CD2-CB 4.43Å; Y231-L474 HydrophobicContact CD2-CD1 4.28Å; V233-L474 HydrophobicContact CG2-CD1 3.84Å; I349-L474 HydrophobicContact CD1-CD1 3.7Å; I349-L474 HydrophobicContact CG1-CD1 3.98Å; I349-L474 HydrophobicContact CG2-CD1 4.33Å; Y381-L474 HydrophobicContact CD1-CD2 4.33Å; Y381-L474 HydrophobicContact CE1-CD2 3.86Å; F382-L474 HydrophobicContact CE1-CD2 3.83Å; F382-L474 HydrophobicContact CZ-CD2 3.96Å; Y472-L474 VanDerWaalsContact C-N 3.27Å; Y472-L474 PolarHBondContact O-N 2.86Å
475	D	91	Very high	92	Very high	15 Å²	15	34.6 Å²	34.6	8%	0.08	19%	0.192	C	C	.	.	H	α-helix	trans	-84.8	-18.7	175.7	-60.3	-68.8	0	0	0	111.8	W228 K230 N395 Y472 I473	W228-D475 HydrophobicContact CD2-CB 3.69Å; W228-D475 HydrophobicContact CE3-CB 4.12Å; W228-D475 HydrophobicContact CG-CB 4.01Å; W228-D475 HydrophobicContact CH2-CB 4.35Å; W228-D475 HydrophobicContact CZ2-CB 4Å; W228-D475 HydrophobicContact CZ3-CB 4.42Å; K230-D475 VanDerWaalsContact CB-OD1 3.29Å; K230-D475 WeakPolarHBondContact CB-OD1 3.49Å; K230-D475 PolarHBondContact N-OD1 3.48Å; N395-D475 PolarHBondContact ND2-O 3.17Å; Y472-D475 PolarHBondContact O-N 3.03Å; I473-D475 VanDerWaalsContact C-N 3.31Å; I473-D475 PolarHBondContact O-N 3.11Å
476	I	94	Very high	91.9	Very high	5 Å²	5	36.1 Å²	36.1	3%	0.026	20%	0.198	C	C	.	.	H	α-helix	trans	-101.5	-52.6	-175.5	-59.9	163.7	0	0	0	111.7	W228 F392 Y396 F399 L468 Y472 I473	W228-I476 HydrophobicContact CH2-CD1 4.35Å; W228-I476 HydrophobicContact CH2-CG1 3.71Å; W228-I476 HydrophobicContact CZ3-CD1 4.45Å; W228-I476 HydrophobicContact CZ3-CG1 4.21Å; F392-I476 VanDerWaalsContact CD2-O 3.26Å; F392-I476 WeakPolarHBondContact CD2-O 3.31Å; F392-I476 HydrophobicContact CE2-CG2 4.2Å; Y396-I476 HydrophobicContact CD2-CG2 3.82Å; Y396-I476 HydrophobicContact CG-CG2 4.22Å; F399-I476 HydrophobicContact CB-CD1 3.59Å; F399-I476 HydrophobicContact CB-CG1 4.3Å; F399-I476 HydrophobicContact CD1-CD1 3.97Å; F399-I476 HydrophobicContact CD2-CD1 3.83Å; F399-I476 HydrophobicContact CG-CD1 3.5Å; L468-I476 HydrophobicContact CD2-CD1 3.47Å; L468-I476 VanDerWaalsContact CD2-CD1 3.47Å; Y472-I476 WeakPolarHBondContact O-CG1 3.25Å; Y472-I476 PolarHBondContact O-N 2.91Å; I473-I476 PolarHBondContact O-N 3.09Å
477	L	95.2	Very high	91.9	Very high	8 Å²	8	35.8 Å²	35.8	4%	0.042	20%	0.195	C	C	.	.	S	Bend	trans	-80.7	137.9	-172.4	-61.4	-171.5	0	0	0	111.8	F335 F382 F392 V454 L458 I473	F335-L477 HydrophobicContact CE2-CD1 3.8Å; F335-L477 HydrophobicContact CZ-CD1 4.31Å; F382-L477 HydrophobicContact CB-CD1 4.31Å; F382-L477 HydrophobicContact CD1-CB 3.5Å; F382-L477 VanDerWaalsContact CD1-CB 3.5Å; F382-L477 HydrophobicContact CD1-CD1 3.86Å; F382-L477 HydrophobicContact CD1-CG 4.31Å; F382-L477 HydrophobicContact CD2-CD1 3.86Å; F382-L477 HydrophobicContact CE1-CB 3.82Å; F382-L477 HydrophobicContact CE1-CD1 4.11Å; F382-L477 HydrophobicContact CE1-CG 4.47Å; F382-L477 HydrophobicContact CE2-CD1 4.12Å; F382-L477 HydrophobicContact CG-CB 4.14Å; F382-L477 HydrophobicContact CG-CD1 3.75Å; F382-L477 HydrophobicContact CZ-CD1 4.26Å; F392-L477 HydrophobicContact CE2-CD2 4.13Å; V454-L477 HydrophobicContact CG1-CD2 4.02Å; L458-L477 HydrophobicContact CD1-CD2 4.01Å; L458-L477 HydrophobicContact CD2-CD2 4.29Å; I473-L477 HydrophobicContact CD1-CD1 3.7Å; I473-L477 HydrophobicContact CD1-CG 4.43Å; I473-L477 HydrophobicContact CG1-CD1 3.48Å; I473-L477 VanDerWaalsContact CG1-CD1 3.48Å; I473-L477 HydrophobicContact CG1-CG 3.72Å; I473-L477 PolarHBondContact O-N 2.97Å
478	P	92.2	Very high	92	Very high	42 Å²	42	34.6 Å²	34.6	27%	0.273	19%	0.189	S	C	.	.			trans	-68.8	146.4	174.7	29.3	-32.7	0	0	0	111.1	F382 D383 A386 V454	F382-P478 CarbonylContact C-O 3.57Å; F382-P478 WeakPolarHBondContact CA-O 3.33Å; D383-P478 PolarHBondContact N-O 2.79Å; A386-P478 HydrophobicContact CB-CG 4.24Å; V454-P478 HydrophobicContact CG2-CG 3.63Å
479	G	88.4	Confident	92.1	Very high	34 Å²	34	34.3 Å²	34.3	35%	0.351	19%	0.188	S	C	.	.			trans	175.5	168.9	175.6	0	0	0	0	0	111	Y381	Y381-G479 WeakPolarHBondContact O-CA 3.34Å
480	P	91.1	Very high	92.3	Very high	43 Å²	43	31.7 Å²	31.7	28%	0.279	17%	0.172	S	C	.	.	S	Bend	cis	-72.4	158	-1.8	30.8	-35.9	0	0	0	113.1	L361 Y381 L482	L361-P480 HydrophobicContact CB-CB 4.1Å; L361-P480 HydrophobicContact CD2-CB 3.78Å; Y381-P480 HydrophobicContact CD2-CB 3.94Å; Y381-P480 HydrophobicContact CE2-CB 3.81Å; Y381-P480 CarbonylContact O-C 3.58Å; Y381-P480 WeakPolarHBondContact O-CA 3.38Å; P480-L482 PolarHBondContact O-N 2.91Å; P480-L482 VanDerWaalsContact O-N 3.14Å
481	I	92.5	Very high	92.5	Very high	4 Å²	4	32 Å²	32	2%	0.021	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-54.7	119.9	165.9	-58.7	175.8	0	0	0	108.2	Q324 P325 Y381 F382 D383	Q324-I481 PolarHBondContact NE2-O 3.4Å; P325-I481 HydrophobicContact CG-CG2 3.69Å; Y381-I481 PolarHBondContact O-N 2.96Å; F382-I481 WeakPolarHBondContact O-CD1 3.47Å; F382-I481 WeakPolarHBondContact O-CG1 3.12Å; D383-I481 HydrophobicContact CB-CG1 4.2Å
482	L	89.2	Confident	92.5	Very high	97 Å²	97	29 Å²	29	51%	0.508	16%	0.163	S	C	.	.	P	Polyproline II helix	trans	-75.8	136.2	-177	-63.1	178.2	0	0	0	111.5	P480	P480-L482 PolarHBondContact O-N 2.91Å; P480-L482 VanDerWaalsContact O-N 3.14Å
483	A	92.6	Very high	92.3	Very high	21 Å²	21	31 Å²	31	17%	0.174	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-65.6	139.8	170.6	0	0	0	0	0	111.2	Y322 V323 W532	Y322-A483 HydrophobicContact CD1-CB 4.32Å; V323-A483 CarbonylContact O-C 3.6Å; V323-A483 WeakPolarHBondContact O-CA 3.11Å; V323-A483 WeakPolarHBondContact O-CB 3.41Å; A483-W532 HydrophobicContact CB-CH2 3.3Å; A483-W532 HydrophobicContact CB-CZ2 4Å; A483-W532 HydrophobicContact CB-CZ3 3.92Å
484	R	93.7	Very high	92.3	Very high	117 Å²	117	34.5 Å²	34.5	44%	0.442	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	120.9	-179.9	-175.3	69.8	-179.6	-173.1	-2.5	110	V323 Y486 A516	V323-R484 PolarHBondContact N-O 2.75Å; V323-R484 PolarHBondContact O-N 3.2Å; R484-Y486 HydrophobicContact CB-CD2 4.42Å; R484-Y486 HydrophobicContact CB-CE2 3.74Å; R484-Y486 HydrophobicContact CG-CD2 4.17Å; R484-Y486 HydrophobicContact CG-CE1 4.45Å; R484-Y486 HydrophobicContact CG-CE2 3.51Å; R484-Y486 WeakPolarHBondContact O-CD2 3.44Å; R484-A516 HydrophobicContact CB-CB 3.55Å; R484-A516 HydrophobicContact CG-CB 4.02Å
485	P	93.5	Very high	92.4	Very high	43 Å²	43	33.6 Å²	33.6	28%	0.279	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	133.4	171.6	28.7	-33.3	0	0	0	110.9	V320 Y322 I536	V320-P485 HydrophobicContact CB-CB 3.97Å; V320-P485 HydrophobicContact CG1-CB 4.34Å; V320-P485 HydrophobicContact CG2-CB 3.71Å; Y322-P485 HydrophobicContact CD1-CB 4.05Å; Y322-P485 HydrophobicContact CE1-CB 3.85Å; Y322-P485 HydrophobicContact CE1-CG 4.13Å; Y322-P485 HydrophobicContact CG-CB 4.49Å; P485-I536 HydrophobicContact CB-CG2 3.88Å; P485-I536 HydrophobicContact CG-CG2 4.07Å
486	Y	95.2	Very high	92.6	Very high	33 Å²	33	33.3 Å²	33.3	13%	0.129	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	125.7	170.4	-70	-86.8	0	0	0	109.8	V320 L321 V323 R484 L497 V499 A516 S517 L520	V320-Y486 CarbonylContact C-O 3.52Å; V320-Y486 VanDerWaalsContact CA-O 3.26Å; V320-Y486 WeakPolarHBondContact CA-O 3.39Å; V320-Y486 WeakPolarHBondContact CB-O 3.39Å; L321-Y486 PolarHBondContact N-O 2.95Å; L321-Y486 PolarHBondContact O-N 3.22Å; V323-Y486 HydrophobicContact CB-CD2 4.21Å; V323-Y486 HydrophobicContact CB-CE2 4.19Å; V323-Y486 HydrophobicContact CG2-CD2 3.78Å; V323-Y486 HydrophobicContact CG2-CE2 4.16Å; R484-Y486 HydrophobicContact CB-CD2 4.42Å; R484-Y486 HydrophobicContact CB-CE2 3.74Å; R484-Y486 HydrophobicContact CG-CD2 4.17Å; R484-Y486 HydrophobicContact CG-CE1 4.45Å; R484-Y486 HydrophobicContact CG-CE2 3.51Å; R484-Y486 WeakPolarHBondContact O-CD2 3.44Å; Y486-L497 HydrophobicContact CG-CD1 4.44Å; Y486-V499 HydrophobicContact CD1-CG2 3.97Å; Y486-V499 HydrophobicContact CE1-CB 4.42Å; Y486-V499 HydrophobicContact CE1-CG1 3.95Å; Y486-V499 HydrophobicContact CE1-CG2 3.92Å; Y486-A516 HydrophobicContact CE2-CB 4.33Å; Y486-A516 WeakPolarHBondContact OH-CB 3.31Å; Y486-S517 PolarHBondContact OH-N 2.99Å; Y486-L520 HydrophobicContact CD2-CD1 4.05Å; Y486-L520 HydrophobicContact CE1-CD1 4.41Å; Y486-L520 HydrophobicContact CE2-CD1 3.53Å
487	S	94.8	Very high	92.8	Very high	28 Å²	28	33 Å²	33	20%	0.196	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	135.9	175.6	-43	0	0	0	0	110.1	A489 E708	S487-A489 PolarHBondContact O-N 3.43Å; S487-E708 PolarHBondContact OG-OE1 3.35Å
488	L	95.4	Very high	92.9	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.021	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-69.1	132.2	-177.4	-66.2	167.8	0	0	0	110.6	F315 S319 L321 I495 L497 F533 A563 S567	F315-L488 HydrophobicContact CB-CD1 4.28Å; F315-L488 HydrophobicContact CD1-CD1 4.38Å; F315-L488 HydrophobicContact CD2-CD1 3.18Å; F315-L488 HydrophobicContact CE2-CD1 3.38Å; F315-L488 HydrophobicContact CE2-CG 4.47Å; F315-L488 HydrophobicContact CG-CD1 3.72Å; F315-L488 HydrophobicContact CZ-CD1 4.08Å; S319-L488 PolarHBondContact O-N 2.98Å; L321-L488 HydrophobicContact CB-CD2 4.14Å; L488-I495 HydrophobicContact CD2-CG2 4.08Å; L488-L497 HydrophobicContact CD2-CD2 3.96Å; L488-F533 HydrophobicContact CD1-CD1 3.86Å; L488-F533 HydrophobicContact CD1-CE1 3.69Å; L488-F533 HydrophobicContact CD2-CE1 3.87Å; L488-F533 HydrophobicContact CG-CE1 4.38Å; L488-A563 CarbonylContact O-C 3.42Å; L488-A563 VanDerWaalsContact O-C 3.29Å; L488-A563 VanDerWaalsContact O-O 3.08Å; L488-S567 WeakPolarHBondContact O-CB 3.41Å
489	A	96.1	Very high	93.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-96.1	0.8	-177.1	0	0	0	0	0	113	L299 S487 E496 L498 A563 H566 F603	L299-A489 HydrophobicContact CD1-CB 4.42Å; S487-A489 PolarHBondContact O-N 3.43Å; A489-E496 HydrophobicContact CB-CB 4.21Å; A489-E496 WeakPolarHBondContact CB-O 3.34Å; A489-E496 PolarHBondContact N-O 3.01Å; A489-L498 HydrophobicContact CB-CB 4.12Å; A489-A563 HydrophobicContact CB-CB 3.83Å; A489-H566 PolarHBondContact O-ND1 3Å; A489-F603 HydrophobicContact CB-CZ 3.96Å
490	S	94.6	Very high	93.5	Very high	3 Å²	3	31 Å²	31	2%	0.021	17%	0.172	C	C	.	.	S	Bend	trans	-145.2	158.4	177.6	57	0	0	0	0	110.9	K494 E496 S567	S490-K494 PolarHBondContact OG-O 2.93Å; S490-E496 WeakPolarHBondContact CB-OE2 3.32Å; S490-E496 WeakPolarHBondContact OG-CB 3.35Å; S490-E496 PolarHBondContact OG-N 2.91Å; S490-S567 WeakPolarHBondContact O-CB 3.47Å; S490-S567 PolarHBondContact O-OG 2.99Å
491	P	92	Very high	93.7	Very high	15 Å²	15	29.4 Å²	29.4	10%	0.097	16%	0.161	C	C	.	.			trans	-83.2	159.1	174.5	35.6	-37.1	0	0	0	111.9	K494 L570 H571	P491-K494 PolarHBondContact O-N 2.81Å; P491-K494 VanDerWaalsContact O-N 3.11Å; P491-K494 VanDerWaalsContact O-O 3.07Å; P491-L570 HydrophobicContact CG-CB 3.88Å; P491-H571 HydrophobicContact CB-CB 3.77Å
492	P	87.7	Confident	93.6	Very high	30 Å²	30	32.4 Å²	32.4	20%	0.195	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	147.8	171.2	-20.1	29	0	0	0	111.9	F315 K494	F315-P492 HydrophobicContact CD1-CG 4.32Å; F315-P492 HydrophobicContact CD2-CG 3.93Å; F315-P492 HydrophobicContact CE1-CB 4.16Å; F315-P492 HydrophobicContact CE1-CG 3.91Å; F315-P492 HydrophobicContact CE2-CB 4.5Å; F315-P492 VanDerWaalsContact CE2-CD 3.43Å; F315-P492 HydrophobicContact CE2-CG 3.5Å; F315-P492 HydrophobicContact CG-CG 4.34Å; F315-P492 HydrophobicContact CZ-CB 4.02Å; F315-P492 HydrophobicContact CZ-CG 3.5Å; F315-P492 VanDerWaalsContact CZ-CG 3.5Å; P492-K494 VanDerWaalsContact C-N 3.33Å
493	P	86.9	Confident	93.7	Very high	87 Å²	87	32.5 Å²	32.5	57%	0.565	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	cis	-84.1	-0.5	2.5	35.2	-36.7	0	0	0	113.6	L310	L310-P493 HydrophobicContact CB-CB 4.06Å; L310-P493 HydrophobicContact CD1-CB 4.06Å; L310-P493 WeakPolarHBondContact CD1-O 3.34Å; L310-P493 HydrophobicContact CD2-CB 4.31Å; L310-P493 WeakPolarHBondContact CD2-O 3.4Å; L310-P493 HydrophobicContact CG-CB 4.37Å
494	K	90.4	Very high	93.3	Very high	75 Å²	75	36.6 Å²	36.6	33%	0.326	19%	0.192	S	C	.	.			trans	-78.6	140.6	-176.1	-161.6	-178.2	-173.6	-164.2	0	110.6	E301 S490 P491 P492 E496	E301-K494 WeakPolarHBondContact OE1-CE 3.38Å; E301-K494 IonicContact OE2-NZ 2.93Å; S490-K494 PolarHBondContact OG-O 2.93Å; P491-K494 PolarHBondContact O-N 2.81Å; P491-K494 VanDerWaalsContact O-N 3.11Å; P491-K494 VanDerWaalsContact O-O 3.07Å; P492-K494 VanDerWaalsContact C-N 3.33Å; K494-E496 HydrophobicContact CD-CG 4.07Å; K494-E496 WeakPolarHBondContact CD-OE2 3.41Å; K494-E496 VanDerWaalsContact CE-OE1 3.26Å; K494-E496 WeakPolarHBondContact CE-OE1 3.46Å; K494-E496 WeakPolarHBondContact CE-OE2 3.48Å; K494-E496 HydrophobicContact CG-CG 4.15Å; K494-E496 IonicContact NZ-OE1 2.91Å; K494-E496 PolarHBondContact NZ-OE1 2.92Å; K494-E496 IonicContact NZ-OE2 3.32Å; K494-E496 PolarHBondContact NZ-OE2 3.13Å
495	I	93.8	Very high	92.6	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	107.5	176.9	-54.6	162.5	0	0	0	108.5	F280 E301 M302 Y304 L310 F315 L321 L488 F533	F280-I495 HydrophobicContact CD1-CD1 4.33Å; F280-I495 HydrophobicContact CE1-CD1 3.93Å; E301-I495 WeakPolarHBondContact CA-O 3Å; M302-I495 HydrophobicContact CG-CB 3.78Å; M302-I495 HydrophobicContact CG-CG2 3.46Å; M302-I495 VanDerWaalsContact CG-CG2 3.46Å; M302-I495 PolarHBondContact N-O 2.91Å; M302-I495 HydrophobicContact SD-CG2 3.76Å; Y304-I495 HydrophobicContact CE2-CD1 4.1Å; L310-I495 HydrophobicContact CD2-CD1 4.44Å; F315-I495 HydrophobicContact CE1-CG1 3.88Å; L321-I495 HydrophobicContact CD2-CG2 4.45Å; L488-I495 HydrophobicContact CD2-CG2 4.08Å; I495-F533 HydrophobicContact CD1-CZ 3.93Å; I495-F533 HydrophobicContact CG1-CZ 4.18Å; I495-F533 HydrophobicContact CG2-CZ 4.27Å
496	E	96.5	Very high	91.4	Very high	9 Å²	9	39.5 Å²	39.5	4%	0.042	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	142.5	175.7	-66	-178.1	122.3	0	0	112.5	R284 L299 L300 E301 A489 S490 K494	R284-E496 IonicContact NH2-OE1 3.88Å; R284-E496 PolarHBondContact NH2-OE1 2.73Å; L299-E496 HydrophobicContact CD1-CB 4.06Å; L300-E496 CarbonylContact O-C 3.49Å; L300-E496 WeakPolarHBondContact O-CA 3.13Å; L300-E496 WeakPolarHBondContact O-CB 3.47Å; E301-E496 HydrophobicContact CB-CG 4.14Å; E301-E496 HydrophobicContact CG-CG 4.21Å; A489-E496 HydrophobicContact CB-CB 4.21Å; A489-E496 WeakPolarHBondContact CB-O 3.34Å; A489-E496 PolarHBondContact N-O 3.01Å; S490-E496 WeakPolarHBondContact CB-OE2 3.32Å; S490-E496 WeakPolarHBondContact OG-CB 3.35Å; S490-E496 PolarHBondContact OG-N 2.91Å; K494-E496 HydrophobicContact CD-CG 4.07Å; K494-E496 WeakPolarHBondContact CD-OE2 3.41Å; K494-E496 VanDerWaalsContact CE-OE1 3.26Å; K494-E496 WeakPolarHBondContact CE-OE1 3.46Å; K494-E496 WeakPolarHBondContact CE-OE2 3.48Å; K494-E496 HydrophobicContact CG-CG 4.15Å; K494-E496 IonicContact NZ-OE1 2.91Å; K494-E496 PolarHBondContact NZ-OE1 2.92Å; K494-E496 IonicContact NZ-OE2 3.32Å; K494-E496 PolarHBondContact NZ-OE2 3.13Å
497	L	97.6	Very high	89.9	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	132.7	171.9	-53.7	-178.7	0	0	0	110	L299 L300 M302 L321 V323 Y486 L488 V499 L520	L299-L497 WeakPolarHBondContact CA-O 3.2Å; L300-L497 HydrophobicContact CB-CB 4.49Å; L300-L497 PolarHBondContact N-O 2.92Å; L300-L497 PolarHBondContact O-N 2.99Å; M302-L497 HydrophobicContact CE-CB 4.39Å; M302-L497 HydrophobicContact CE-CD1 4.04Å; M302-L497 HydrophobicContact CE-CG 3.76Å; M302-L497 HydrophobicContact SD-CD1 4.24Å; M302-L497 HydrophobicContact SD-CG 4.19Å; L321-L497 HydrophobicContact CB-CD2 4.03Å; L321-L497 HydrophobicContact CD2-CD1 4.14Å; L321-L497 HydrophobicContact CD2-CD2 4.23Å; L321-L497 HydrophobicContact CD2-CG 4.49Å; V323-L497 HydrophobicContact CG2-CD1 4.05Å; Y486-L497 HydrophobicContact CG-CD1 4.44Å; L488-L497 HydrophobicContact CD2-CD2 3.96Å; L497-V499 HydrophobicContact CB-CG2 3.89Å; L497-L520 HydrophobicContact CD1-CD1 4.24Å
498	L	97.6	Very high	88	Confident	11 Å²	11	54.4 Å²	54.4	6%	0.058	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	105.5	170.5	-174.5	68.9	0	0	0	109.5	V288 T297 L299 A489 T560 I562 A563 Y602 F603	V288-L498 HydrophobicContact CG2-CD1 3.85Å; T297-L498 HydrophobicContact CG2-CD1 3.59Å; T297-L498 HydrophobicContact CG2-CG 3.92Å; L299-L498 HydrophobicContact CD1-CD1 4.37Å; A489-L498 HydrophobicContact CB-CB 4.12Å; L498-T560 HydrophobicContact CD2-CG2 4.1Å; L498-T560 HydrophobicContact CG-CG2 4.03Å; L498-I562 HydrophobicContact CD2-CG2 3.86Å; L498-A563 HydrophobicContact CB-CB 4.23Å; L498-Y602 HydrophobicContact CD1-CD1 4.08Å; L498-Y602 HydrophobicContact CD1-CE1 4.35Å; L498-Y602 HydrophobicContact CD1-CG 4.42Å; L498-Y602 HydrophobicContact CD2-CD1 4.31Å; L498-Y602 HydrophobicContact CD2-CD2 3.86Å; L498-Y602 HydrophobicContact CD2-CE2 4.3Å; L498-Y602 HydrophobicContact CD2-CG 3.87Å; L498-F603 HydrophobicContact CB-CZ 4.45Å; L498-F603 HydrophobicContact CD1-CZ 4.38Å; L498-F603 HydrophobicContact CD2-CE2 3.9Å; L498-F603 HydrophobicContact CD2-CZ 4.26Å
499	V	97.3	Very high	86.5	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	112.9	-168.5	-179.1	0	0	0	0	110.6	T297 R298 L300 Y486 L497 V501 L520	T297-V499 CarbonylContact C-O 3.57Å; T297-V499 WeakPolarHBondContact CA-O 3.24Å; R298-V499 PolarHBondContact N-O 2.82Å; R298-V499 PolarHBondContact O-N 3.07Å; L300-V499 HydrophobicContact CD1-CB 3.94Å; L300-V499 HydrophobicContact CD1-CG2 3.65Å; Y486-V499 HydrophobicContact CD1-CG2 3.97Å; Y486-V499 HydrophobicContact CE1-CB 4.42Å; Y486-V499 HydrophobicContact CE1-CG1 3.95Å; Y486-V499 HydrophobicContact CE1-CG2 3.92Å; L497-V499 HydrophobicContact CB-CG2 3.89Å; V499-V501 PolarHBondContact O-N 3.48Å; V499-L520 HydrophobicContact CG1-CD1 4.39Å; V499-L520 HydrophobicContact CG2-CD1 3.87Å
500	A	95.8	Very high	85.7	Confident	30 Å²	30	63.1 Å²	63.1	25%	0.248	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	117.7	165.5	0	0	0	0	0	109.4	Q295 V502 S517 T560	Q295-A500 HydrophobicContact CG-CB 4.41Å; A500-V502 PolarHBondContact O-N 3.33Å; A500-S517 WeakPolarHBondContact O-CB 3.47Å; A500-T560 HydrophobicContact CB-CG2 3.83Å
501	V	95.3	Very high	85.3	Confident	10 Å²	10	65.3 Å²	65.3	6%	0.061	33%	0.332	C	S	.	.			trans	-73.9	111.9	179.5	-172.2	0	0	0	0	109.3	Q295 D296 R298 V499 N503 N518 A521	Q295-V501 PolarHBondContact NE2-O 2.63Å; D296-V501 HydrophobicContact CB-CB 4.13Å; D296-V501 HydrophobicContact CB-CG2 4.15Å; D296-V501 PolarHBondContact O-N 3.3Å; R298-V501 HydrophobicContact CG-CG2 3.83Å; V499-V501 PolarHBondContact O-N 3.48Å; V501-N503 PolarHBondContact O-N 3.17Å; V501-N503 VanDerWaalsContact O-N 3.17Å; V501-N518 WeakPolarHBondContact CG1-OD1 3.47Å; V501-A521 HydrophobicContact CG1-CB 4.23Å; V501-A521 HydrophobicContact CG2-CB 3.66Å
502	V	90.6	Very high	85.1	Confident	66 Å²	66	65.4 Å²	65.4	40%	0.4	33%	0.331	S	S	.	.			trans	-72.8	110.5	177.6	-179.9	0	0	0	0	108.7	A500 Y504 I513 G514 S517 N518	A500-V502 PolarHBondContact O-N 3.33Å; V502-Y504 HydrophobicContact CG1-CD1 4.11Å; V502-Y504 HydrophobicContact CG1-CE1 4.23Å; V502-I513 WeakPolarHBondContact O-CA 3.42Å; V502-G514 PolarHBondContact O-N 3.41Å; V502-S517 PolarHBondContact N-OG 3.45Å; V502-N518 PolarHBondContact O-ND2 3.41Å
503	N	90.4	Very high	85.2	Confident	99 Å²	99	65.6 Å²	65.6	53%	0.529	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	113.3	173.3	-174.1	-22.6	0	0	0	108.3	V501 R512 I513	V501-N503 PolarHBondContact O-N 3.17Å; V501-N503 VanDerWaalsContact O-N 3.17Å; N503-R512 WeakPolarHBondContact CA-O 3.42Å; N503-I513 HydrophobicContact CB-CG2 4.41Å
504	Y	85	Confident	85.4	Confident	108 Å²	108	62.3 Å²	62.3	42%	0.424	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	160.2	178	66.3	-83.8	0	0	0	110.2	V502 T506 P511 R512	V502-Y504 HydrophobicContact CG1-CD1 4.11Å; V502-Y504 HydrophobicContact CG1-CE1 4.23Å; Y504-T506 HydrophobicContact CD2-CG2 4.4Å; Y504-T506 HydrophobicContact CE2-CG2 3.87Å; Y504-P511 CarbonylContact O-C 3.52Å; Y504-P511 WeakPolarHBondContact O-CA 3.49Å; Y504-R512 HydrophobicContact CD1-CB 3.99Å; Y504-R512 HydrophobicContact CD2-CB 4.08Å; Y504-R512 HydrophobicContact CD2-CG 4.41Å; Y504-R512 HydrophobicContact CE1-CB 3.54Å; Y504-R512 HydrophobicContact CE2-CB 3.65Å; Y504-R512 HydrophobicContact CE2-CG 3.81Å; Y504-R512 HydrophobicContact CG-CB 4.25Å; Y504-R512 PolarHBondContact N-O 3.21Å; Y504-R512 PolarHBondContact O-N 2.91Å
505	R	78.1	Confident	85.5	Confident	196 Å²	196	60.4 Å²	60.4	74%	0.74	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	132.9	173	-67.8	-177.1	-179.4	176.2	-1.9	109.2	P511	R505-P511 HydrophobicContact CG-CB 4.4Å; R505-P511 HydrophobicContact CG-CG 4.29Å
506	T	69.3	Low	85.6	Confident	25 Å²	25	61 Å²	61	15%	0.153	31%	0.311	C	S	.	.			trans	-78.6	170.2	164.2	44.6	0	0	0	0	109.9	Y504 L508 R512	Y504-T506 HydrophobicContact CD2-CG2 4.4Å; Y504-T506 HydrophobicContact CE2-CG2 3.87Å; T506-L508 PolarHBondContact O-N 3.47Å; T506-L508 PolarHBondContact OG1-O 3.26Å; T506-R512 HydrophobicContact CG2-CG 3.87Å
507	R	62.2	Low	85.5	Confident	263 Å²	263	60.8 Å²	60.8	99%	0.992	31%	0.311	S	S	*	.	S	Bend	trans	-54.3	-24.5	173.1	-69.9	-173.3	-179.7	-178.3	1.7	112.3
508	L	55.5	Low	85.4	Confident	110 Å²	110	62 Å²	62	58%	0.576	32%	0.317	S	S	*	.	S	Bend	trans	-98.4	106.6	176.3	-66.3	164.6	0	0	0	110.5	P450 T506 T510	P450-L508 HydrophobicContact CB-CD1 3.9Å; T506-L508 PolarHBondContact O-N 3.47Å; T506-L508 PolarHBondContact OG1-O 3.26Å; L508-T510 VanDerWaalsContact C-N 3.34Å; L508-T510 PolarHBondContact O-N 3.2Å
509	S	64.6	Low	85.4	Confident	110 Å²	110	63 Å²	63	77%	0.769	32%	0.321	S	S	*	.	S	Bend	trans	14.6	-48.6	170.8	-153.7	0	0	0	0	122.2
510	T	79.3	Confident	85.3	Confident	77 Å²	77	63 Å²	63	47%	0.472	32%	0.321	S	S	.	.	S	Bend	trans	-88.2	130.9	-167	-38	0	0	0	0	111.6	L508 R512	L508-T510 VanDerWaalsContact C-N 3.34Å; L508-T510 PolarHBondContact O-N 3.2Å; T510-R512 PolarHBondContact O-N 3.26Å
511	P	84.7	Confident	85.3	Confident	49 Å²	49	62.7 Å²	62.7	32%	0.318	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	132.6	175.2	-22.3	32.6	0	0	0	112.2	Y504 R505	Y504-P511 CarbonylContact O-C 3.52Å; Y504-P511 WeakPolarHBondContact O-CA 3.49Å; R505-P511 HydrophobicContact CG-CB 4.4Å; R505-P511 HydrophobicContact CG-CG 4.29Å
512	R	87.8	Confident	85.3	Confident	18 Å²	18	65.8 Å²	65.8	7%	0.068	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	126.3	170	-58	-54	179	-167.8	10.4	109	P450 C451 E456 N503 Y504 T506 T510	P450-R512 VanDerWaalsContact O-CZ 3.32Å; P450-R512 PolarHBondContact O-NE 3.11Å; P450-R512 PolarHBondContact O-NH2 3.38Å; C451-R512 HydrophobicContact CB-CG 4.35Å; C451-R512 PolarHBondContact O-NE 2.85Å; E456-R512 IonicContact OE1-CZ 2.83Å; E456-R512 IonicContact OE1-NH1 3.81Å; E456-R512 PolarHBondContact OE1-NH1 3.19Å; E456-R512 IonicContact OE2-CZ 3.74Å; E456-R512 IonicContact OE2-NH1 3.49Å; E456-R512 PolarHBondContact OE2-NH1 3.4Å; E456-R512 IonicContact OE2-NH2 3.77Å; E456-R512 PolarHBondContact OE2-NH2 3.18Å; E456-R512 VanDerWaalsContact OE2-NH2 3.14Å; N503-R512 WeakPolarHBondContact CA-O 3.42Å; Y504-R512 HydrophobicContact CD1-CB 3.99Å; Y504-R512 HydrophobicContact CD2-CB 4.08Å; Y504-R512 HydrophobicContact CD2-CG 4.41Å; Y504-R512 HydrophobicContact CE1-CB 3.54Å; Y504-R512 HydrophobicContact CE2-CB 3.65Å; Y504-R512 HydrophobicContact CE2-CG 3.81Å; Y504-R512 HydrophobicContact CG-CB 4.25Å; Y504-R512 PolarHBondContact N-O 3.21Å; Y504-R512 PolarHBondContact O-N 2.91Å; T506-R512 HydrophobicContact CG2-CG 3.87Å; T510-R512 PolarHBondContact O-N 3.26Å
513	I	89.6	Confident	85.5	Confident	33 Å²	33	63.4 Å²	63.4	17%	0.169	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	139.1	-173	59	176	0	0	0	109.6	R328 V502 N503	R328-I513 VanDerWaalsContact CD-CD1 3.48Å; V502-I513 WeakPolarHBondContact O-CA 3.42Å; N503-I513 HydrophobicContact CB-CG2 4.41Å
514	G	91	Very high	85.8	Confident	19 Å²	19	63.4 Å²	63.4	20%	0.196	33%	0.325	C	S	.	.			trans	-78.9	131.7	174.9	0	0	0	0	0	111.5	V502 S517 N518	V502-G514 PolarHBondContact O-N 3.41Å; G514-S517 PolarHBondContact O-OG 3.48Å; G514-N518 PolarHBondContact N-ND2 3.1Å; G514-N518 WeakPolarHBondContact O-CB 3.11Å; G514-N518 PolarHBondContact O-N 2.85Å; G514-N518 VanDerWaalsContact O-N 3.1Å; G514-N518 PolarHBondContact O-ND2 3.26Å
515	T	93	Very high	86.4	Confident	35 Å²	35	62.5 Å²	62.5	22%	0.215	33%	0.332	C	S	.	.	H	α-helix	trans	-54.3	-59.4	-177.7	-47.5	0	0	0	0	111.9	P325 N385 Y519	P325-T515 HydrophobicContact CB-CG2 4.29Å; P325-T515 HydrophobicContact CG-CG2 4.27Å; N385-T515 WeakPolarHBondContact CB-OG1 3.29Å; T515-Y519 WeakPolarHBondContact O-CB 3.23Å; T515-Y519 PolarHBondContact O-N 2.96Å
516	A	95.4	Very high	87.1	Confident	12 Å²	12	54.8 Å²	54.8	10%	0.099	31%	0.314	C	S	.	.	H	α-helix	trans	-67.6	-42.1	-175.4	0	0	0	0	0	114.2	P325 R484 Y486 Y519 L520	P325-A516 HydrophobicContact CB-CB 4.13Å; P325-A516 HydrophobicContact CG-CB 4.07Å; R484-A516 HydrophobicContact CB-CB 3.55Å; R484-A516 HydrophobicContact CG-CB 4.02Å; Y486-A516 HydrophobicContact CE2-CB 4.33Å; Y486-A516 WeakPolarHBondContact OH-CB 3.31Å; A516-Y519 PolarHBondContact O-N 3.11Å; A516-L520 WeakPolarHBondContact O-CG 3.36Å; A516-L520 PolarHBondContact O-N 2.93Å
517	S	95.9	Very high	88.4	Confident	5 Å²	5	56.7 Å²	56.7	4%	0.035	32%	0.323	C	S	.	.	H	α-helix	trans	-70	-36.3	-176.7	63.5	0	0	0	0	112.6	Y486 A500 V502 G514 A521	Y486-S517 PolarHBondContact OH-N 2.99Å; A500-S517 WeakPolarHBondContact O-CB 3.47Å; V502-S517 PolarHBondContact N-OG 3.45Å; G514-S517 PolarHBondContact O-OG 3.48Å; S517-A521 VanDerWaalsContact O-CB 3.24Å; S517-A521 WeakPolarHBondContact O-CB 3.26Å; S517-A521 PolarHBondContact O-N 3.31Å
518	N	95.5	Very high	89.9	Confident	27 Å²	27	46 Å²	46	14%	0.144	29%	0.288	C	S	.	.	H	α-helix	trans	-78.9	-34.2	176.9	-72.6	-93.7	0	0	0	111.5	V501 V502 G514 A521 S522	V501-N518 WeakPolarHBondContact CG1-OD1 3.47Å; V502-N518 PolarHBondContact O-ND2 3.41Å; G514-N518 PolarHBondContact N-ND2 3.1Å; G514-N518 WeakPolarHBondContact O-CB 3.11Å; G514-N518 PolarHBondContact O-N 2.85Å; G514-N518 VanDerWaalsContact O-N 3.1Å; G514-N518 PolarHBondContact O-ND2 3.26Å; N518-A521 PolarHBondContact O-N 2.81Å; N518-S522 VanDerWaalsContact O-CB 3.32Å; N518-S522 WeakPolarHBondContact O-CB 3.46Å; N518-S522 PolarHBondContact O-N 3.05Å; N518-S522 PolarHBondContact O-OG 3.28Å
519	Y	96.3	Very high	91.7	Very high	32 Å²	32	40.8 Å²	40.8	13%	0.125	26%	0.261	C	S	.	.	H	α-helix	trans	-52.4	-57.2	168.2	173.2	-108.7	0	0	0	110.2	V323 P325 T326 T515 A516 A521 S522 L523 F529	V323-Y519 HydrophobicContact CG1-CD1 4.19Å; V323-Y519 HydrophobicContact CG1-CE1 4.19Å; P325-Y519 HydrophobicContact CB-CD1 3.86Å; P325-Y519 HydrophobicContact CB-CG 3.97Å; T326-Y519 HydrophobicContact CG2-CE2 4.1Å; T515-Y519 WeakPolarHBondContact O-CB 3.23Å; T515-Y519 PolarHBondContact O-N 2.96Å; A516-Y519 PolarHBondContact O-N 3.11Å; Y519-A521 PolarHBondContact O-N 3.47Å; Y519-S522 PolarHBondContact O-N 3.06Å; Y519-S522 VanDerWaalsContact O-N 3.15Å; Y519-S522 PolarHBondContact O-OG 3.29Å; Y519-L523 HydrophobicContact CE1-CD1 4.46Å; Y519-L523 HydrophobicContact CE2-CD2 4.38Å; Y519-L523 WeakPolarHBondContact O-CG 3.47Å; Y519-F529 HydrophobicContact CE1-CB 3.89Å; Y519-F529 WeakPolarHBondContact OH-CB 3.48Å
520	L	96.9	Very high	93.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.8	-43.6	177.6	-72	174.4	0	0	0	113.2	L300 V323 Y486 L497 V499 A516 S522 L523 F529	L300-L520 HydrophobicContact CD2-CB 3.91Å; L300-L520 HydrophobicContact CD2-CD2 4.14Å; L300-L520 WeakPolarHBondContact CD2-O 3.42Å; V323-L520 HydrophobicContact CG1-CD1 4.25Å; V323-L520 HydrophobicContact CG1-CD2 3.76Å; V323-L520 HydrophobicContact CG1-CG 4.06Å; V323-L520 HydrophobicContact CG2-CD1 4.15Å; V323-L520 HydrophobicContact CG2-CD2 4.26Å; Y486-L520 HydrophobicContact CD2-CD1 4.05Å; Y486-L520 HydrophobicContact CE1-CD1 4.41Å; Y486-L520 HydrophobicContact CE2-CD1 3.53Å; L497-L520 HydrophobicContact CD1-CD1 4.24Å; V499-L520 HydrophobicContact CG1-CD1 4.39Å; V499-L520 HydrophobicContact CG2-CD1 3.87Å; A516-L520 WeakPolarHBondContact O-CG 3.36Å; A516-L520 PolarHBondContact O-N 2.93Å; L520-S522 PolarHBondContact O-N 3.11Å; L520-L523 HydrophobicContact CD2-CD1 4.04Å; L520-L523 PolarHBondContact O-N 3.16Å; L520-F529 HydrophobicContact CD2-CZ 4.42Å
521	A	95.6	Very high	93.8	Very high	22 Å²	22	32.2 Å²	32.2	18%	0.182	20%	0.204	C	C	.	.	H	α-helix	trans	-66.9	-20.8	-179.7	0	0	0	0	0	113.7	R298 V501 S517 N518 Y519	R298-A521 HydrophobicContact CG-CB 4.17Å; V501-A521 HydrophobicContact CG1-CB 4.23Å; V501-A521 HydrophobicContact CG2-CB 3.66Å; S517-A521 VanDerWaalsContact O-CB 3.24Å; S517-A521 WeakPolarHBondContact O-CB 3.26Å; S517-A521 PolarHBondContact O-N 3.31Å; N518-A521 PolarHBondContact O-N 2.81Å; Y519-A521 PolarHBondContact O-N 3.47Å
522	S	94.7	Very high	94.3	Very high	76 Å²	76	32.5 Å²	32.5	53%	0.531	20%	0.199	S	C	.	.	H	α-helix	trans	-83.6	-14.5	177.8	74.4	0	0	0	0	113.9	N518 Y519 L520	N518-S522 VanDerWaalsContact O-CB 3.32Å; N518-S522 WeakPolarHBondContact O-CB 3.46Å; N518-S522 PolarHBondContact O-N 3.05Å; N518-S522 PolarHBondContact O-OG 3.28Å; Y519-S522 PolarHBondContact O-N 3.06Å; Y519-S522 VanDerWaalsContact O-N 3.15Å; Y519-S522 PolarHBondContact O-OG 3.29Å; L520-S522 PolarHBondContact O-N 3.11Å
523	L	95.7	Very high	94.5	Very high	15 Å²	15	33.6 Å²	33.6	8%	0.079	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-73.7	138.1	-178.2	-58.3	176.1	0	0	0	111.9	V282 Y519 L520 D527 F529	V282-L523 HydrophobicContact CG2-CB 3.91Å; V282-L523 HydrophobicContact CG2-CD1 3.85Å; Y519-L523 HydrophobicContact CE1-CD1 4.46Å; Y519-L523 HydrophobicContact CE2-CD2 4.38Å; Y519-L523 WeakPolarHBondContact O-CG 3.47Å; L520-L523 HydrophobicContact CD2-CD1 4.04Å; L520-L523 PolarHBondContact O-N 3.16Å; L523-D527 HydrophobicContact CB-CB 4.31Å; L523-D527 HydrophobicContact CD2-CB 4.08Å; L523-F529 HydrophobicContact CD1-CB 4.2Å; L523-F529 HydrophobicContact CD1-CD1 3.64Å; L523-F529 HydrophobicContact CD1-CE1 4.35Å; L523-F529 HydrophobicContact CD1-CG 4.13Å
524	N	96.2	Very high	94.5	Very high	99 Å²	99	33 Å²	33	53%	0.529	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-102.9	159.8	175.9	-57.2	-73.5	0	0	0	110.9	G526 D527	N524-G526 PolarHBondContact O-N 3.02Å; N524-D527 PolarHBondContact N-OD2 3Å; N524-D527 PolarHBondContact ND2-OD2 2.94Å; N524-D527 VanDerWaalsContact O-CB 3.3Å; N524-D527 WeakPolarHBondContact O-CB 3.47Å; N524-D527 PolarHBondContact O-N 3.45Å
525	P	96.6	Very high	94.3	Very high	89 Å²	89	37.1 Å²	37.1	58%	0.578	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51	128.6	169.2	-26.7	36	0	0	0	111.6	V282	V282-P525 CarbonylContact O-C 3.58Å; V282-P525 WeakPolarHBondContact O-CA 3.2Å
526	G	94	Very high	93.9	Very high	35 Å²	35	37.2 Å²	37.2	36%	0.361	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	98.7	-24.6	-175.9	0	0	0	0	0	114.6	Q281 V282 N524	Q281-G526 PolarHBondContact NE2-O 3.1Å; V282-G526 PolarHBondContact O-N 3.39Å; N524-G526 PolarHBondContact O-N 3.02Å
527	D	95.2	Very high	92.9	Very high	65 Å²	65	38.4 Å²	38.4	35%	0.348	23%	0.234	S	C	.	.			trans	-64	146.2	176.4	-68.9	-21.9	0	0	0	110.5	Q281 V282 L523 N524	Q281-D527 WeakPolarHBondContact CA-O 3.38Å; V282-D527 PolarHBondContact N-O 3.26Å; L523-D527 HydrophobicContact CB-CB 4.31Å; L523-D527 HydrophobicContact CD2-CB 4.08Å; N524-D527 PolarHBondContact N-OD2 3Å; N524-D527 PolarHBondContact ND2-OD2 2.94Å; N524-D527 VanDerWaalsContact O-CB 3.3Å; N524-D527 WeakPolarHBondContact O-CB 3.47Å; N524-D527 PolarHBondContact O-N 3.45Å
528	C	93.8	Very high	92	Very high	38 Å²	38	40.3 Å²	40.3	26%	0.257	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	143.7	-179.2	-60.7	0	0	0	0	110.8	W279 F280 K305	W279-C528 HydrophobicContact CE3-CB 3.98Å; W279-C528 HydrophobicContact CZ3-CB 4.44Å; F280-C528 CarbonylContact O-C 3.59Å; F280-C528 WeakPolarHBondContact O-CA 3.48Å; K305-C528 WeakPolarHBondContact CD-SG 3.48Å; K305-C528 PolarHBondContact NZ-SG 3.39Å; K305-C528 VanDerWaalsContact NZ-SG 3.44Å
529	F	94.6	Very high	91.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	159	172.8	70.8	-87.7	0	0	0	111.2	W279 F280 V282 M302 L321 V323 Y519 L520 L523	W279-F529 VanDerWaalsContact CE3-C 3.49Å; F280-F529 HydrophobicContact CB-CD1 4.14Å; F280-F529 HydrophobicContact CB-CD2 4.48Å; F280-F529 HydrophobicContact CB-CE1 3.66Å; F280-F529 HydrophobicContact CB-CE2 4.03Å; F280-F529 HydrophobicContact CB-CZ 3.6Å; F280-F529 HydrophobicContact CD2-CE2 4.21Å; F280-F529 HydrophobicContact CD2-CZ 4.48Å; F280-F529 HydrophobicContact CG-CE2 4.33Å; F280-F529 HydrophobicContact CG-CZ 4.15Å; F280-F529 PolarHBondContact N-O 3.24Å; F280-F529 PolarHBondContact O-N 3.29Å; V282-F529 HydrophobicContact CG2-CD1 4.1Å; V282-F529 HydrophobicContact CG2-CE1 4.08Å; M302-F529 HydrophobicContact SD-CE1 4.07Å; M302-F529 HydrophobicContact SD-CZ 3.55Å; M302-F529 VanDerWaalsContact SD-CZ 3.55Å; L321-F529 HydrophobicContact CD2-CE2 4.29Å; L321-F529 HydrophobicContact CD2-CZ 4.25Å; V323-F529 HydrophobicContact CG1-CD2 4.06Å; V323-F529 HydrophobicContact CG1-CE2 4.23Å; V323-F529 HydrophobicContact CG2-CE2 3.96Å; Y519-F529 HydrophobicContact CE1-CB 3.89Å; Y519-F529 WeakPolarHBondContact OH-CB 3.48Å; L520-F529 HydrophobicContact CD2-CZ 4.42Å; L523-F529 HydrophobicContact CD1-CB 4.2Å; L523-F529 HydrophobicContact CD1-CD1 3.64Å; L523-F529 HydrophobicContact CD1-CE1 4.35Å; L523-F529 HydrophobicContact CD1-CG 4.13Å
530	S	93.7	Very high	91.2	Very high	8 Å²	8	38.3 Å²	38.3	6%	0.056	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	135.5	-179.7	-175.5	0	0	0	0	111	I273 A277 Q278 Q324	I273-S530 PolarHBondContact N-OG 2.86Å; I273-S530 WeakPolarHBondContact O-CB 3.19Å; I273-S530 PolarHBondContact O-OG 2.57Å; A277-S530 WeakPolarHBondContact CB-OG 3.38Å; Q278-S530 WeakPolarHBondContact O-CA 3.12Å; Q324-S530 PolarHBondContact N-O 2.83Å; Q324-S530 VanDerWaalsContact N-O 3.07Å
531	G	94.6	Very high	90.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	175.1	173.9	0	0	0	0	0	113.9	A277 Q278 F280 Y322	A277-G531 CarbonylContact C-O 3.29Å; A277-G531 WeakPolarHBondContact CA-O 3.46Å; A277-G531 WeakPolarHBondContact CB-O 3.38Å; Q278-G531 PolarHBondContact N-O 3.41Å; Q278-G531 PolarHBondContact O-N 2.98Å; F280-G531 WeakPolarHBondContact CE2-O 3.48Å; Y322-G531 CarbonylContact O-C 3.55Å; Y322-G531 WeakPolarHBondContact O-CA 3.08Å
532	W	93.4	Very high	90.6	Very high	55 Å²	55	44.3 Å²	44.3	21%	0.208	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	149.4	173.9	64.3	97.5	0	0	0	111.6	P274 A277 Y322 Q324 A483	P274-W532 HydrophobicContact CG-CE3 4.21Å; P274-W532 HydrophobicContact CG-CH2 4.01Å; P274-W532 HydrophobicContact CG-CZ3 3.7Å; A277-W532 HydrophobicContact CB-CE3 3.99Å; Y322-W532 HydrophobicContact CD1-CZ2 4.05Å; Y322-W532 AromaticContact CD2-CD1 3.98Å; Y322-W532 AromaticContact CD2-NE1 3.54Å; Y322-W532 HydrophobicContact CG-CD2 4.4Å; Y322-W532 AromaticContact CG-CE2 3.69Å; Y322-W532 AromaticContact CG-CZ2 3.84Å; Y322-W532 HydrophobicContact CG-CZ2 3.84Å; Y322-W532 AromaticContact CG-NE1 3.65Å; Y322-W532 PolarHBondContact N-O 3.36Å; Y322-W532 PolarHBondContact O-N 3.1Å; Q324-W532 HydrophobicContact CB-CZ3 4.42Å; A483-W532 HydrophobicContact CB-CH2 3.3Å; A483-W532 HydrophobicContact CB-CZ2 4Å; A483-W532 HydrophobicContact CB-CZ3 3.92Å
533	F	92.5	Very high	90.2	Very high	41 Å²	41	44.8 Å²	44.8	18%	0.18	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	145.3	173.4	-64.8	-77.1	0	0	0	111	F280 Y304 F315 V320 L321 L488 I495	F280-F533 AromaticContact CE1-CE2 3.91Å; F280-F533 HydrophobicContact CE1-CE2 3.91Å; F280-F533 HydrophobicContact CE1-CZ 4.02Å; F280-F533 HydrophobicContact CZ-CD2 4.43Å; F280-F533 AromaticContact CZ-CE2 3.69Å; F280-F533 HydrophobicContact CZ-CE2 3.69Å; F280-F533 HydrophobicContact CZ-CZ 4.11Å; Y304-F533 AromaticContact CE1-CE2 3.87Å; Y304-F533 HydrophobicContact CE1-CE2 3.87Å; Y304-F533 AromaticContact CZ-CE2 3.75Å; Y304-F533 WeakPolarHBondContact OH-CE2 3.03Å; F315-F533 HydrophobicContact CB-CB 4.28Å; F315-F533 HydrophobicContact CB-CD1 3.58Å; F315-F533 HydrophobicContact CB-CD2 4.31Å; F315-F533 HydrophobicContact CB-CE1 3.91Å; F315-F533 HydrophobicContact CB-CG 3.78Å; F315-F533 HydrophobicContact CB-CZ 4.44Å; F315-F533 HydrophobicContact CD1-CD1 4.27Å; F315-F533 AromaticContact CD1-CE1 3.69Å; F315-F533 HydrophobicContact CD1-CE1 3.69Å; F315-F533 HydrophobicContact CD1-CE2 4.34Å; F315-F533 AromaticContact CD1-CZ 3.74Å; F315-F533 HydrophobicContact CD1-CZ 3.74Å; F315-F533 HydrophobicContact CE1-CE1 4.32Å; F315-F533 HydrophobicContact CE1-CZ 4.31Å; F315-F533 HydrophobicContact CG-CD1 4.02Å; F315-F533 AromaticContact CG-CE1 3.84Å; F315-F533 HydrophobicContact CG-CE1 3.84Å; F315-F533 HydrophobicContact CG-CZ 4.32Å; V320-F533 WeakPolarHBondContact O-CA 3.43Å; L321-F533 HydrophobicContact CB-CE1 4.45Å; L321-F533 HydrophobicContact CD1-CD1 4.25Å; L321-F533 HydrophobicContact CD1-CE1 4.16Å; L321-F533 HydrophobicContact CD1-CE2 4.5Å; L321-F533 HydrophobicContact CD1-CZ 4.29Å; L488-F533 HydrophobicContact CD1-CD1 3.86Å; L488-F533 HydrophobicContact CD1-CE1 3.69Å; L488-F533 HydrophobicContact CD2-CE1 3.87Å; L488-F533 HydrophobicContact CG-CE1 4.38Å; I495-F533 HydrophobicContact CD1-CZ 3.93Å; I495-F533 HydrophobicContact CG1-CZ 4.18Å; I495-F533 HydrophobicContact CG2-CZ 4.27Å
534	G	90.7	Very high	89.7	Confident	20 Å²	20	52.3 Å²	52.3	21%	0.206	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	-169.1	172.9	0	0	0	0	0	112.3	S319 V320	S319-G534 VanDerWaalsContact CA-O 3.29Å; S319-G534 WeakPolarHBondContact CA-O 3.4Å; S319-G534 WeakPolarHBondContact CB-O 3.4Å; V320-G534 PolarHBondContact N-O 2.82Å; V320-G534 PolarHBondContact O-N 3.04Å
535	T	86.5	Confident	89.4	Confident	106 Å²	106	47.6 Å²	47.6	65%	0.65	27%	0.269	S	S	*	.			trans	-128.6	137.2	175.8	56.4	0	0	0	0	108.4
536	I	83.1	Confident	89.1	Confident	37 Å²	37	45.9 Å²	45.9	19%	0.19	25%	0.254	C	S	.	.			trans	-87.6	152.7	173.8	58.6	174.4	0	0	0	111	V320 P485 G538 G539 E708	V320-I536 HydrophobicContact CG1-CD1 4.48Å; V320-I536 HydrophobicContact CG1-CG1 4.44Å; V320-I536 HydrophobicContact CG1-CG2 4.13Å; V320-I536 HydrophobicContact CG2-CG2 3.87Å; P485-I536 HydrophobicContact CB-CG2 3.88Å; P485-I536 HydrophobicContact CG-CG2 4.07Å; I536-G538 PolarHBondContact O-N 3.15Å; I536-G539 PolarHBondContact O-N 3.47Å; I536-E708 HydrophobicContact CD1-CG 4.01Å
537	S	75.5	Confident	88.8	Confident	36 Å²	36	47 Å²	47	25%	0.252	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	127.1	170.5	-61.5	0	0	0	0	109.9	N95 S98 G539	N95-S537 WeakPolarHBondContact OD1-CB 3.42Å; N95-S537 PolarHBondContact OD1-N 2.65Å; N95-S537 VanDerWaalsContact OD1-N 3.09Å; N95-S537 PolarHBondContact OD1-OG 2.85Å; S98-S537 PolarHBondContact OG-OG 2.87Å; S537-G539 VanDerWaalsContact C-N 3.27Å; S537-G539 PolarHBondContact O-N 3.45Å
538	G	76.8	Confident	88.4	Confident	46 Å²	46	49.2 Å²	49.2	47%	0.474	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	79	2.4	-174	0	0	0	0	0	115.2	I536	I536-G538 PolarHBondContact O-N 3.15Å
539	G	84.8	Confident	88.1	Confident	10 Å²	10	52 Å²	52	10%	0.103	29%	0.286	C	S	.	.			trans	-67.4	160.7	176.1	0	0	0	0	0	113.3	I536 S537	I536-G539 PolarHBondContact O-N 3.47Å; S537-G539 VanDerWaalsContact C-N 3.27Å; S537-G539 PolarHBondContact O-N 3.45Å
540	F	90.9	Very high	87.9	Confident	6 Å²	6	52.5 Å²	52.5	3%	0.026	29%	0.289	C	S	.	.			trans	-68.1	141	-175	-60	-36.9	0	0	0	114.5	F542 P564 F565 F661 I662 V663 Q706 E708	F540-F542 HydrophobicContact CB-CD1 4.47Å; F540-F542 HydrophobicContact CB-CD2 4.34Å; F540-F542 HydrophobicContact CB-CE1 3.86Å; F540-F542 HydrophobicContact CB-CE2 3.72Å; F540-F542 HydrophobicContact CB-CZ 3.46Å; F540-F542 VanDerWaalsContact CB-CZ 3.46Å; F540-F542 HydrophobicContact CD2-CE1 4.39Å; F540-F542 HydrophobicContact CD2-CE2 4.29Å; F540-F542 AromaticContact CD2-CZ 3.63Å; F540-F542 HydrophobicContact CD2-CZ 3.63Å; F540-F542 HydrophobicContact CG-CE1 4.27Å; F540-F542 HydrophobicContact CG-CE2 4.46Å; F540-F542 AromaticContact CG-CZ 3.83Å; F540-F542 HydrophobicContact CG-CZ 3.83Å; F540-P564 HydrophobicContact CD2-CB 4.12Å; F540-P564 HydrophobicContact CD2-CG 4.23Å; F540-P564 HydrophobicContact CE2-CB 4.48Å; F540-P564 HydrophobicContact CE2-CG 4.1Å; F540-F565 AromaticContact CD2-CE1 3.98Å; F540-F565 HydrophobicContact CD2-CE1 3.98Å; F540-F565 HydrophobicContact CE2-CD1 4.42Å; F540-F565 AromaticContact CE2-CE1 3.49Å; F540-F565 HydrophobicContact CE2-CE1 3.49Å; F540-F565 VanDerWaalsContact CE2-CE1 3.49Å; F540-F565 AromaticContact CE2-CZ 3.98Å; F540-F565 HydrophobicContact CE2-CZ 3.98Å; F540-F565 HydrophobicContact CZ-CE1 4.08Å; F540-F565 HydrophobicContact CZ-CZ 4.2Å; F540-F661 HydrophobicContact CB-CD1 4.22Å; F540-F661 HydrophobicContact CB-CE1 4.32Å; F540-F661 AromaticContact CD1-CD1 3.52Å; F540-F661 HydrophobicContact CD1-CD1 3.52Å; F540-F661 HydrophobicContact CD1-CE1 4.22Å; F540-F661 HydrophobicContact CE1-CB 4.2Å; F540-F661 AromaticContact CE1-CD1 3.94Å; F540-F661 HydrophobicContact CE1-CD1 3.94Å; F540-F661 AromaticContact CG-CD1 3.86Å; F540-F661 HydrophobicContact CG-CD1 3.86Å; F540-F661 HydrophobicContact CG-CE1 4.44Å; F540-F661 HydrophobicContact CZ-CB 4.23Å; F540-I662 WeakPolarHBondContact CZ-O 3.4Å; F540-V663 HydrophobicContact CE2-CB 3.81Å; F540-V663 HydrophobicContact CE2-CG2 3.79Å; F540-V663 HydrophobicContact CZ-CB 3.75Å; F540-V663 HydrophobicContact CZ-CG2 4.05Å; F540-Q706 HydrophobicContact CD1-CB 3.85Å; F540-Q706 HydrophobicContact CE1-CB 4.08Å; F540-E708 HydrophobicContact CD1-CB 4.26Å; F540-E708 HydrophobicContact CE1-CB 3.61Å; F540-E708 HydrophobicContact CE2-CB 3.95Å; F540-E708 HydrophobicContact CZ-CB 3.44Å; F540-E708 VanDerWaalsContact CZ-CB 3.44Å
541	K	88.3	Confident	87.8	Confident	148 Å²	148	52.8 Å²	52.8	64%	0.643	29%	0.291	S	S	*	.			trans	-117.8	101.5	174.4	-63.2	-179.6	-174.5	172.9	0	110.4
542	F	91.3	Very high	87.7	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.299	C	S	.	.			trans	-94.1	-6.8	-177.5	-57.7	-57.3	0	0	0	114.2	L317 F540 R544 L545 P564 F565 F568 F661	L317-F542 HydrophobicContact CB-CB 3.96Å; L317-F542 HydrophobicContact CB-CD2 3.71Å; L317-F542 HydrophobicContact CB-CG 4.31Å; L317-F542 HydrophobicContact CD1-CB 4.36Å; F540-F542 HydrophobicContact CB-CD1 4.47Å; F540-F542 HydrophobicContact CB-CD2 4.34Å; F540-F542 HydrophobicContact CB-CE1 3.86Å; F540-F542 HydrophobicContact CB-CE2 3.72Å; F540-F542 HydrophobicContact CB-CZ 3.46Å; F540-F542 VanDerWaalsContact CB-CZ 3.46Å; F540-F542 HydrophobicContact CD2-CE1 4.39Å; F540-F542 HydrophobicContact CD2-CE2 4.29Å; F540-F542 AromaticContact CD2-CZ 3.63Å; F540-F542 HydrophobicContact CD2-CZ 3.63Å; F540-F542 HydrophobicContact CG-CE1 4.27Å; F540-F542 HydrophobicContact CG-CE2 4.46Å; F540-F542 AromaticContact CG-CZ 3.83Å; F540-F542 HydrophobicContact CG-CZ 3.83Å; F542-R544 PolarHBondContact O-N 3.36Å; F542-R544 VanDerWaalsContact O-N 3.09Å; F542-L545 HydrophobicContact CB-CD1 4.27Å; F542-L545 HydrophobicContact CD1-CD1 3.65Å; F542-L545 HydrophobicContact CG-CD1 4.44Å; F542-L545 WeakPolarHBondContact O-CA 3.16Å; F542-L545 VanDerWaalsContact O-CB 3.31Å; F542-L545 WeakPolarHBondContact O-CB 3.27Å; F542-L545 WeakPolarHBondContact O-CG 3.35Å; F542-L545 PolarHBondContact O-N 3.38Å; F542-P564 HydrophobicContact CE2-CB 4.44Å; F542-F565 HydrophobicContact CZ-CD1 4.2Å; F542-F565 HydrophobicContact CZ-CE1 4.31Å; F542-F568 HydrophobicContact CB-CD2 3.8Å; F542-F568 HydrophobicContact CB-CE2 4.13Å; F542-F568 HydrophobicContact CD1-CD1 4.47Å; F542-F568 AromaticContact CD1-CD2 3.89Å; F542-F568 HydrophobicContact CD1-CD2 3.89Å; F542-F568 HydrophobicContact CD1-CE2 4.24Å; F542-F568 HydrophobicContact CD1-CG 4.03Å; F542-F568 HydrophobicContact CD2-CB 4.1Å; F542-F568 HydrophobicContact CD2-CD2 4.26Å; F542-F568 HydrophobicContact CD2-CG 4.36Å; F542-F568 HydrophobicContact CE1-CB 4.43Å; F542-F568 HydrophobicContact CE1-CD1 4.39Å; F542-F568 HydrophobicContact CE1-CD2 4.49Å; F542-F568 HydrophobicContact CE1-CG 4.17Å; F542-F568 HydrophobicContact CE2-CB 3.99Å; F542-F568 HydrophobicContact CE2-CG 4.49Å; F542-F568 HydrophobicContact CG-CB 4.35Å; F542-F568 AromaticContact CG-CD2 3.73Å; F542-F568 HydrophobicContact CG-CD2 3.73Å; F542-F568 HydrophobicContact CG-CE2 4.32Å; F542-F568 HydrophobicContact CG-CG 4.1Å; F542-F568 HydrophobicContact CZ-CB 4.15Å; F542-F568 HydrophobicContact CZ-CG 4.39Å; F542-F661 HydrophobicContact CD1-CD1 4.47Å; F542-F661 AromaticContact CD1-CE1 3.98Å; F542-F661 HydrophobicContact CD1-CE1 3.98Å; F542-F661 HydrophobicContact CD1-CE2 4.26Å; F542-F661 AromaticContact CD1-CZ 3.88Å; F542-F661 HydrophobicContact CD1-CZ 3.88Å; F542-F661 AromaticContact CE1-CD1 3.78Å; F542-F661 HydrophobicContact CE1-CD1 3.78Å; F542-F661 HydrophobicContact CE1-CD2 4.2Å; F542-F661 AromaticContact CE1-CE1 3.74Å; F542-F661 HydrophobicContact CE1-CE1 3.74Å; F542-F661 HydrophobicContact CE1-CE2 4.17Å; F542-F661 HydrophobicContact CE1-CG 4.01Å; F542-F661 AromaticContact CE1-CZ 3.97Å; F542-F661 HydrophobicContact CE1-CZ 3.97Å
543	D	86	Confident	87.9	Confident	86 Å²	86	51.4 Å²	51.4	46%	0.46	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-52.2	-39	-175.5	-62.5	-33.6	0	0	0	113	L545 L546	D543-L545 PolarHBondContact O-N 3.34Å; D543-L546 PolarHBondContact O-N 3.41Å
544	R	85.7	Confident	88.1	Confident	174 Å²	174	49.4 Å²	49.4	66%	0.657	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-71.1	-11	179.8	-66.6	-176.3	175.9	-179.6	-2.8	114	F542	F542-R544 PolarHBondContact O-N 3.36Å; F542-R544 VanDerWaalsContact O-N 3.09Å
545	L	90.3	Very high	88.5	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-99.4	-4.9	-176.8	-42.3	177.9	0	0	0	112.7	F542 D543 P550 P551 F568 Q572 H659 F661	F542-L545 HydrophobicContact CB-CD1 4.27Å; F542-L545 HydrophobicContact CD1-CD1 3.65Å; F542-L545 HydrophobicContact CG-CD1 4.44Å; F542-L545 WeakPolarHBondContact O-CA 3.16Å; F542-L545 VanDerWaalsContact O-CB 3.31Å; F542-L545 WeakPolarHBondContact O-CB 3.27Å; F542-L545 WeakPolarHBondContact O-CG 3.35Å; F542-L545 PolarHBondContact O-N 3.38Å; D543-L545 PolarHBondContact O-N 3.34Å; L545-P550 WeakPolarHBondContact O-CB 3.46Å; L545-P551 HydrophobicContact CB-CG 4.38Å; L545-P551 HydrophobicContact CD2-CG 3.46Å; L545-P551 VanDerWaalsContact CD2-CG 3.46Å; L545-F568 HydrophobicContact CB-CE2 3.89Å; L545-F568 HydrophobicContact CB-CZ 4.04Å; L545-F568 HydrophobicContact CD1-CE1 4.35Å; L545-F568 HydrophobicContact CD1-CE2 3.73Å; L545-F568 HydrophobicContact CD1-CZ 3.57Å; L545-F568 HydrophobicContact CG-CE2 4.47Å; L545-F568 HydrophobicContact CG-CZ 4.49Å; L545-Q572 PolarHBondContact O-NE2 3.47Å; L545-H659 HydrophobicContact CD2-CB 4.02Å; L545-F661 HydrophobicContact CD1-CE2 3.49Å; L545-F661 VanDerWaalsContact CD1-CE2 3.49Å; L545-F661 HydrophobicContact CD1-CZ 3.64Å
546	L	88.5	Confident	89	Confident	52 Å²	52	43.4 Å²	43.4	27%	0.272	24%	0.24	S	C	.	.	S	Bend	trans	-101.7	49.2	-179.5	-59.8	180	0	0	0	111	L317 D543 F568 Q572	L317-L546 HydrophobicContact CD1-CD1 3.73Å; L317-L546 HydrophobicContact CD1-CD2 4.03Å; L317-L546 HydrophobicContact CD1-CG 4.27Å; D543-L546 PolarHBondContact O-N 3.41Å; L546-F568 HydrophobicContact CD2-CE2 4.49Å; L546-Q572 HydrophobicContact CD2-CB 4.08Å; L546-Q572 HydrophobicContact CD2-CG 4.21Å
547	T	88.6	Confident	89.7	Confident	60 Å²	60	41.7 Å²	41.7	37%	0.368	23%	0.231	S	C	.	.	S	Bend	trans	-105.9	168.4	178	71.8	0	0	0	0	110.7	S549 P550	T547-S549 PolarHBondContact O-N 3.02Å; T547-S549 PolarHBondContact OG1-N 3.1Å; T547-S549 PolarHBondContact OG1-O 3.23Å; T547-S549 VanDerWaalsContact OG1-O 3.06Å; T547-P550 VanDerWaalsContact O-CD 3.3Å; T547-P550 WeakPolarHBondContact O-CD 3.44Å
548	L	86	Confident	90.6	Very high	111 Å²	111	41.5 Å²	41.5	58%	0.581	23%	0.228	S	C	*	.	S	Bend	trans	-70.7	-7.1	172.9	-66.3	177.6	0	0	0	113.5	H579 L580 M584	L548-H579 HydrophobicContact CD2-CB 3.8Å; L548-L580 WeakPolarHBondContact O-CD2 3.47Å; L548-M584 WeakPolarHBondContact O-CE 3.42Å
549	S	87.9	Confident	91.5	Very high	96 Å²	96	40.4 Å²	40.4	67%	0.671	22%	0.217	S	C	*	.	S	Bend	trans	-129.8	67.3	169.9	179.6	0	0	0	0	107.5	T547	T547-S549 PolarHBondContact O-N 3.02Å; T547-S549 PolarHBondContact OG1-N 3.1Å; T547-S549 PolarHBondContact OG1-O 3.23Å; T547-S549 VanDerWaalsContact OG1-O 3.06Å
550	P	90	Very high	91.9	Very high	10 Å²	10	41.4 Å²	41.4	7%	0.065	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-63.9	135.4	-170.9	28.1	-34.5	0	0	0	110.1	L545 T547 L576 L580 P586	L545-P550 WeakPolarHBondContact O-CB 3.46Å; T547-P550 VanDerWaalsContact O-CD 3.3Å; T547-P550 WeakPolarHBondContact O-CD 3.44Å; P550-L576 HydrophobicContact CB-CD1 4.04Å; P550-L576 HydrophobicContact CG-CD1 4Å; P550-L580 HydrophobicContact CG-CD1 3.78Å; P550-P586 HydrophobicContact CB-CB 4.02Å; P550-P586 HydrophobicContact CB-CG 4.02Å; P550-P586 HydrophobicContact CG-CB 3.78Å; P550-P586 HydrophobicContact CG-CG 3.59Å
551	P	92.1	Very high	92.1	Very high	15 Å²	15	41.2 Å²	41.2	10%	0.097	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-69.1	150.7	177	28.7	-34.6	0	0	0	111.9	L545 C553 Q657	L545-P551 HydrophobicContact CB-CG 4.38Å; L545-P551 HydrophobicContact CD2-CG 3.46Å; L545-P551 VanDerWaalsContact CD2-CG 3.46Å; P551-C553 PolarHBondContact O-SG 3.26Å; P551-C553 VanDerWaalsContact O-SG 3.38Å; P551-Q657 HydrophobicContact CB-CB 4.19Å; P551-Q657 WeakPolarHBondContact CB-O 3.41Å
552	S	93	Very high	92.5	Very high	25 Å²	25	34.2 Å²	34.2	18%	0.175	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-63.1	137.3	169.3	-59.4	0	0	0	0	111	T587 S658 H659	S552-T587 WeakPolarHBondContact CA-O 3.39Å; S552-T587 VanDerWaalsContact CB-O 3.24Å; S552-T587 WeakPolarHBondContact CB-O 3.36Å; S552-T587 WeakPolarHBondContact OG-CB 3.5Å; S552-T587 PolarHBondContact OG-N 2.61Å; S552-S658 WeakPolarHBondContact O-CA 3.44Å; S552-H659 PolarHBondContact O-N 3.16Å; S552-H659 VanDerWaalsContact O-N 3.12Å
553	C	96.9	Very high	92.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	131.1	-176.1	-62.2	0	0	0	0	111.1	P551 L555 T587 N588 V589 H659	P551-C553 PolarHBondContact O-SG 3.26Å; P551-C553 VanDerWaalsContact O-SG 3.38Å; C553-L555 HydrophobicContact CB-CD2 4.16Å; C553-L555 HydrophobicContact CB-CG 4.34Å; C553-T587 PolarHBondContact N-O 3.2Å; C553-T587 VanDerWaalsContact N-O 3.16Å; C553-N588 WeakPolarHBondContact CB-OD1 3.08Å; C553-N588 WeakPolarHBondContact O-CA 3.28Å; C553-V589 PolarHBondContact O-N 3.23Å; C553-H659 CarbonylContact C-O 3.59Å; C553-H659 WeakPolarHBondContact CA-O 3.13Å
554	L	97.9	Very high	93.2	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	111.5	168	-178.4	65.5	0	0	0	108.8	I556 V589 F591 V649 I652 L653 H659 V660 F661 L677	L554-I556 HydrophobicContact CD2-CD1 4.11Å; L554-I556 HydrophobicContact CG-CD1 3.78Å; L554-V589 HydrophobicContact CD1-CB 4.22Å; L554-V589 HydrophobicContact CD1-CG1 4.25Å; L554-F591 HydrophobicContact CD1-CD2 3.7Å; L554-F591 HydrophobicContact CD1-CE2 3.56Å; L554-V649 HydrophobicContact CD2-CG1 4.04Å; L554-I652 HydrophobicContact CB-CD1 4.08Å; L554-I652 HydrophobicContact CB-CG2 3.97Å; L554-I652 HydrophobicContact CD1-CD1 4.14Å; L554-L653 HydrophobicContact CD2-CD2 4.3Å; L554-H659 PolarHBondContact N-O 2.71Å; L554-V660 HydrophobicContact CB-CG1 4.32Å; L554-V660 HydrophobicContact CB-CG2 4.27Å; L554-V660 HydrophobicContact CD2-CG1 4.19Å; L554-V660 HydrophobicContact CD2-CG2 4.42Å; L554-V660 HydrophobicContact CG-CG1 4.34Å; L554-V660 CarbonylContact O-C 3.35Å; L554-V660 VanDerWaalsContact O-CA 3.25Å; L554-V660 WeakPolarHBondContact O-CA 3.36Å; L554-F661 PolarHBondContact O-N 3.39Å; L554-L677 HydrophobicContact CD2-CD2 3.75Å
555	L	98.2	Very high	93.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	126.5	-175.3	-55	176.8	0	0	0	108.9	C553 F565 F568 L569 V589 L590 F591 F661	C553-L555 HydrophobicContact CB-CD2 4.16Å; C553-L555 HydrophobicContact CB-CG 4.34Å; L555-F565 HydrophobicContact CB-CD2 3.77Å; L555-F565 HydrophobicContact CB-CE2 3.75Å; L555-F565 HydrophobicContact CB-CG 4.29Å; L555-F565 HydrophobicContact CB-CZ 4.3Å; L555-F565 HydrophobicContact CD1-CB 4.37Å; L555-F565 HydrophobicContact CD1-CG 4.29Å; L555-F565 HydrophobicContact CD2-CD1 4.16Å; L555-F565 HydrophobicContact CD2-CE1 4.08Å; L555-F565 HydrophobicContact CD2-CG 4.45Å; L555-F565 HydrophobicContact CD2-CZ 4.27Å; L555-F568 HydrophobicContact CD1-CD1 4.19Å; L555-F568 HydrophobicContact CD1-CE1 4.23Å; L555-F568 HydrophobicContact CD2-CE1 4.44Å; L555-L569 HydrophobicContact CD1-CD1 3.87Å; L555-L569 HydrophobicContact CD1-CD2 3.87Å; L555-L569 HydrophobicContact CD1-CG 3.93Å; L555-V589 PolarHBondContact N-O 3.41Å; L555-L590 HydrophobicContact CB-CB 4.29Å; L555-L590 HydrophobicContact CB-CD1 3.68Å; L555-L590 CarbonylContact O-C 3.6Å; L555-L590 VanDerWaalsContact O-CA 3.31Å; L555-L590 WeakPolarHBondContact O-CA 3.32Å; L555-F591 PolarHBondContact O-N 2.97Å; L555-F661 HydrophobicContact CD2-CB 3.89Å; L555-F661 HydrophobicContact CD2-CD2 3.64Å; L555-F661 HydrophobicContact CD2-CG 4.14Å
556	I	98.1	Very high	94.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	111.7	177.9	-58.6	99.8	0	0	0	109.2	L554 F591 V638 L642 V660 F661 I662 V663 V673	L554-I556 HydrophobicContact CD2-CD1 4.11Å; L554-I556 HydrophobicContact CG-CD1 3.78Å; I556-F591 WeakPolarHBondContact CA-O 3.23Å; I556-F591 HydrophobicContact CG1-CB 4.26Å; I556-V638 HydrophobicContact CG2-CB 3.93Å; I556-V638 HydrophobicContact CG2-CG1 4.34Å; I556-V638 HydrophobicContact CG2-CG2 3.84Å; I556-L642 HydrophobicContact CG1-CD1 4.36Å; I556-L642 HydrophobicContact CG1-CD2 4.36Å; I556-V660 HydrophobicContact CD1-CG1 3.68Å; I556-F661 PolarHBondContact N-O 3.01Å; I556-I662 HydrophobicContact CB-CG1 4.32Å; I556-I662 HydrophobicContact CD1-CG1 3.94Å; I556-I662 CarbonylContact O-C 3.54Å; I556-I662 WeakPolarHBondContact O-CA 3.5Å; I556-V663 PolarHBondContact O-N 2.74Å; I556-V673 HydrophobicContact CG2-CG1 4.46Å; I556-V673 HydrophobicContact CG2-CG2 4.02Å
557	A	96.9	Very high	94.4	Very high	0 Å²	0	20 Å²	20	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	150.4	-177.3	0	0	0	0	0	112.6	I562 F565 L590 F591 F592 G593 V663	A557-I562 HydrophobicContact CB-CB 4.35Å; A557-I562 HydrophobicContact CB-CD1 3.87Å; A557-F565 HydrophobicContact CB-CD2 3.66Å; A557-F565 HydrophobicContact CB-CE2 3.72Å; A557-L590 HydrophobicContact CB-CD1 4.35Å; A557-F591 PolarHBondContact N-O 3.35Å; A557-F592 HydrophobicContact CB-CD2 4.08Å; A557-F592 WeakPolarHBondContact O-CA 3.48Å; A557-G593 PolarHBondContact O-N 3.01Å; A557-V663 CarbonylContact C-O 3.34Å; A557-V663 WeakPolarHBondContact CA-O 3.48Å; A557-V663 HydrophobicContact CB-CG1 3.44Å; A557-V663 VanDerWaalsContact CB-CG1 3.44Å
558	T	95	Very high	94.8	Very high	32 Å²	32	17.1 Å²	17.1	20%	0.196	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	140.2	167.1	59	0	0	0	0	111.9	T560 G561 G593 V638 V663 G664 M669	T558-T560 PolarHBondContact O-N 3.23Å; T558-G561 WeakPolarHBondContact O-CA 3.19Å; T558-G561 PolarHBondContact O-N 3.05Å; T558-G593 CarbonylContact C-O 3.51Å; T558-G593 VanDerWaalsContact CA-O 3.28Å; T558-G593 WeakPolarHBondContact CA-O 3.49Å; T558-V638 HydrophobicContact CG2-CG1 3.98Å; T558-V638 HydrophobicContact CG2-CG2 4.02Å; T558-V663 PolarHBondContact N-O 3.37Å; T558-G664 VanDerWaalsContact OG1-CA 3.29Å; T558-G664 WeakPolarHBondContact OG1-CA 3.31Å; T558-M669 HydrophobicContact CG2-CG 4.42Å
559	G	94.3	Very high	95.3	Very high	24 Å²	24	11.8 Å²	11.8	25%	0.247	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	53.5	-132.5	177	0	0	0	0	0	113.5	G561 I562 F592 G593	G559-G561 PolarHBondContact O-N 3.11Å; G559-G561 VanDerWaalsContact O-N 3.15Å; G559-I562 WeakPolarHBondContact O-CG2 3.18Å; G559-I562 PolarHBondContact O-N 3.01Å; G559-F592 WeakPolarHBondContact O-CE2 3.32Å; G559-G593 PolarHBondContact N-O 3.1Å
560	T	94.6	Very high	95.6	Very high	31 Å²	31	8.3 Å²	8.3	19%	0.19	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	-66.6	-11.2	178.9	53.6	0	0	0	0	114.1	T297 L498 A500 T558 I562 A563	T297-T560 HydrophobicContact CG2-CG2 3.81Å; L498-T560 HydrophobicContact CD2-CG2 4.1Å; L498-T560 HydrophobicContact CG-CG2 4.03Å; A500-T560 HydrophobicContact CB-CG2 3.83Å; T558-T560 PolarHBondContact O-N 3.23Å; T560-I562 PolarHBondContact O-N 3.01Å; T560-A563 WeakPolarHBondContact O-CB 3.32Å; T560-A563 PolarHBondContact O-N 3.09Å; T560-A563 VanDerWaalsContact O-N 3.15Å
561	G	93.7	Very high	95.8	Very high	2 Å²	2	10.1 Å²	10.1	2%	0.021	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	-56.4	-17.7	171.6	0	0	0	0	0	115.4	T558 G559 A563 P564 V663	T558-G561 WeakPolarHBondContact O-CA 3.19Å; T558-G561 PolarHBondContact O-N 3.05Å; G559-G561 PolarHBondContact O-N 3.11Å; G559-G561 VanDerWaalsContact O-N 3.15Å; G561-A563 PolarHBondContact O-N 3.27Å; G561-P564 VanDerWaalsContact O-CD 3.22Å; G561-P564 WeakPolarHBondContact O-CD 3.47Å; G561-P564 WeakPolarHBondContact O-CG 3.37Å; G561-V663 WeakPolarHBondContact O-CG1 3.33Å; G561-V663 WeakPolarHBondContact O-CG2 3.46Å
562	I	96.5	Very high	95.9	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-66	-18.9	177.5	-165.6	59.8	0	0	0	113.4	L498 A557 G559 T560 F565 H566 L590 F592 Y602 F603 F607	L498-I562 HydrophobicContact CD2-CG2 3.86Å; A557-I562 HydrophobicContact CB-CB 4.35Å; A557-I562 HydrophobicContact CB-CD1 3.87Å; G559-I562 WeakPolarHBondContact O-CG2 3.18Å; G559-I562 PolarHBondContact O-N 3.01Å; T560-I562 PolarHBondContact O-N 3.01Å; I562-F565 HydrophobicContact CD1-CB 4.3Å; I562-F565 PolarHBondContact O-N 3.29Å; I562-F565 VanDerWaalsContact O-N 3.15Å; I562-H566 PolarHBondContact O-N 2.74Å; I562-L590 HydrophobicContact CD1-CD1 3.99Å; I562-L590 HydrophobicContact CD1-CD2 3.71Å; I562-L590 HydrophobicContact CD1-CG 4.42Å; I562-F592 HydrophobicContact CB-CD2 4.17Å; I562-F592 HydrophobicContact CB-CE2 3.76Å; I562-F592 HydrophobicContact CB-CZ 4.05Å; I562-F592 HydrophobicContact CD1-CB 4.43Å; I562-F592 HydrophobicContact CD1-CD1 4.36Å; I562-F592 HydrophobicContact CD1-CD2 3.97Å; I562-F592 HydrophobicContact CD1-CE2 4.4Å; I562-F592 HydrophobicContact CD1-CG 4Å; I562-F592 HydrophobicContact CG1-CD1 4.41Å; I562-F592 HydrophobicContact CG1-CD2 4.22Å; I562-F592 HydrophobicContact CG1-CE1 4.34Å; I562-F592 HydrophobicContact CG1-CE2 4.15Å; I562-F592 HydrophobicContact CG1-CG 4.41Å; I562-F592 HydrophobicContact CG1-CZ 4.24Å; I562-F592 HydrophobicContact CG2-CE2 4.24Å; I562-F592 HydrophobicContact CG2-CZ 4.12Å; I562-Y602 HydrophobicContact CG2-CD2 3.91Å; I562-Y602 HydrophobicContact CG2-CG 4.39Å; I562-F603 HydrophobicContact CG2-CD2 4.07Å; I562-F603 HydrophobicContact CG2-CE2 4.01Å; I562-F607 HydrophobicContact CD1-CE2 3.94Å; I562-F607 HydrophobicContact CD1-CZ 3.69Å; I562-F607 HydrophobicContact CG1-CE2 3.67Å; I562-F607 HydrophobicContact CG1-CZ 3.6Å
563	A	96.3	Very high	96	Very high	3 Å²	3	9.7 Å²	9.7	3%	0.025	6%	0.057	C	C	.	.	H	α-helix	trans	-50.2	-58.1	-177	0	0	0	0	0	114.4	L488 A489 L498 T560 G561 F565 H566 S567	L488-A563 CarbonylContact O-C 3.42Å; L488-A563 VanDerWaalsContact O-C 3.29Å; L488-A563 VanDerWaalsContact O-O 3.08Å; A489-A563 HydrophobicContact CB-CB 3.83Å; L498-A563 HydrophobicContact CB-CB 4.23Å; T560-A563 WeakPolarHBondContact O-CB 3.32Å; T560-A563 PolarHBondContact O-N 3.09Å; T560-A563 VanDerWaalsContact O-N 3.15Å; G561-A563 PolarHBondContact O-N 3.27Å; A563-F565 VanDerWaalsContact C-N 3.25Å; A563-F565 PolarHBondContact O-N 3.17Å; A563-H566 WeakPolarHBondContact O-CB 3.4Å; A563-H566 PolarHBondContact O-N 3.47Å; A563-S567 PolarHBondContact O-N 3.04Å; A563-S567 VanDerWaalsContact O-N 3.07Å
564	P	95.9	Very high	95.8	Very high	6 Å²	6	13.5 Å²	13.5	4%	0.039	8%	0.078	C	C	.	.	H	α-helix	trans	-61	-32.7	179.7	22.8	-35.2	0	0	0	113.2	F540 F542 G561 F568 V663	F540-P564 HydrophobicContact CD2-CB 4.12Å; F540-P564 HydrophobicContact CD2-CG 4.23Å; F540-P564 HydrophobicContact CE2-CB 4.48Å; F540-P564 HydrophobicContact CE2-CG 4.1Å; F542-P564 HydrophobicContact CE2-CB 4.44Å; G561-P564 VanDerWaalsContact O-CD 3.22Å; G561-P564 WeakPolarHBondContact O-CD 3.47Å; G561-P564 WeakPolarHBondContact O-CG 3.37Å; P564-F568 VanDerWaalsContact O-CB 3.24Å; P564-F568 WeakPolarHBondContact O-CB 3.28Å; P564-F568 PolarHBondContact O-N 2.9Å; P564-V663 HydrophobicContact CG-CG2 4.14Å
565	F	97.3	Very high	95.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-75.1	-34.9	178.7	-63.2	-13.1	0	0	0	112.4	F540 F542 L555 A557 I562 A563 F568 L569 L590 F661 V663	F540-F565 AromaticContact CD2-CE1 3.98Å; F540-F565 HydrophobicContact CD2-CE1 3.98Å; F540-F565 HydrophobicContact CE2-CD1 4.42Å; F540-F565 AromaticContact CE2-CE1 3.49Å; F540-F565 HydrophobicContact CE2-CE1 3.49Å; F540-F565 VanDerWaalsContact CE2-CE1 3.49Å; F540-F565 AromaticContact CE2-CZ 3.98Å; F540-F565 HydrophobicContact CE2-CZ 3.98Å; F540-F565 HydrophobicContact CZ-CE1 4.08Å; F540-F565 HydrophobicContact CZ-CZ 4.2Å; F542-F565 HydrophobicContact CZ-CD1 4.2Å; F542-F565 HydrophobicContact CZ-CE1 4.31Å; L555-F565 HydrophobicContact CB-CD2 3.77Å; L555-F565 HydrophobicContact CB-CE2 3.75Å; L555-F565 HydrophobicContact CB-CG 4.29Å; L555-F565 HydrophobicContact CB-CZ 4.3Å; L555-F565 HydrophobicContact CD1-CB 4.37Å; L555-F565 HydrophobicContact CD1-CG 4.29Å; L555-F565 HydrophobicContact CD2-CD1 4.16Å; L555-F565 HydrophobicContact CD2-CE1 4.08Å; L555-F565 HydrophobicContact CD2-CG 4.45Å; L555-F565 HydrophobicContact CD2-CZ 4.27Å; A557-F565 HydrophobicContact CB-CD2 3.66Å; A557-F565 HydrophobicContact CB-CE2 3.72Å; I562-F565 HydrophobicContact CD1-CB 4.3Å; I562-F565 PolarHBondContact O-N 3.29Å; I562-F565 VanDerWaalsContact O-N 3.15Å; A563-F565 VanDerWaalsContact C-N 3.25Å; A563-F565 PolarHBondContact O-N 3.17Å; F565-F568 PolarHBondContact O-N 3.47Å; F565-L569 VanDerWaalsContact O-CB 3.31Å; F565-L569 WeakPolarHBondContact O-CB 3.44Å; F565-L569 VanDerWaalsContact O-CG 3.27Å; F565-L569 WeakPolarHBondContact O-CG 3.25Å; F565-L569 PolarHBondContact O-N 3.44Å; F565-L590 HydrophobicContact CD2-CD1 3.79Å; F565-L590 HydrophobicContact CE2-CD1 4.42Å; F565-F661 HydrophobicContact CE1-CB 3.51Å; F565-F661 HydrophobicContact CE1-CG 4.38Å; F565-F661 HydrophobicContact CZ-CB 3.51Å; F565-F661 WeakPolarHBondContact CZ-O 3.14Å; F565-V663 HydrophobicContact CD2-CG1 3.98Å; F565-V663 HydrophobicContact CE1-CG1 4.22Å; F565-V663 HydrophobicContact CE2-CB 4.32Å; F565-V663 HydrophobicContact CE2-CG1 3.35Å; F565-V663 HydrophobicContact CZ-CB 3.98Å; F565-V663 HydrophobicContact CZ-CG1 3.47Å; F565-V663 VanDerWaalsContact CZ-CG1 3.47Å
566	H	97.3	Very high	95.1	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.009	10%	0.096	C	C	.	.	H	α-helix	trans	-61.3	-49.1	172	-176	-117.5	0	0	0	111	A489 I562 A563 F568 L570 F603 D606 F607	A489-H566 PolarHBondContact O-ND1 3Å; I562-H566 PolarHBondContact O-N 2.74Å; A563-H566 WeakPolarHBondContact O-CB 3.4Å; A563-H566 PolarHBondContact O-N 3.47Å; H566-F568 PolarHBondContact O-N 3.45Å; H566-L570 VanDerWaalsContact CE1-CD1 3.46Å; H566-L570 WeakPolarHBondContact CE1-CD1 3.44Å; H566-L570 VanDerWaalsContact NE2-CD1 3.32Å; H566-L570 WeakPolarHBondContact NE2-CD1 3.15Å; H566-L570 WeakPolarHBondContact O-CB 3.49Å; H566-L570 WeakPolarHBondContact O-CG 3.29Å; H566-L570 PolarHBondContact O-N 2.92Å; H566-F603 HydrophobicContact CB-CD2 3.78Å; H566-F603 HydrophobicContact CB-CE2 4.02Å; H566-F603 HydrophobicContact CB-CG 4.27Å; H566-F603 AromaticContact CD2-CG 3.61Å; H566-F603 AromaticContact CE1-CD1 3.4Å; H566-F603 VanDerWaalsContact CE1-CD1 3.4Å; H566-F603 WeakPolarHBondContact CE1-CD1 3.1Å; H566-F603 AromaticContact CE1-CE1 3.83Å; H566-F603 AromaticContact CE1-CG 3.75Å; H566-F603 AromaticContact CG-CD1 3.96Å; H566-F603 AromaticContact CG-CD2 3.6Å; H566-F603 AromaticContact CG-CG 3.58Å; H566-F603 AromaticContact ND1-CD1 3.54Å; H566-F603 AromaticContact ND1-CD2 3.9Å; H566-F603 AromaticContact ND1-CE1 3.67Å; H566-F603 AromaticContact ND1-CE2 4Å; H566-F603 AromaticContact ND1-CG 3.67Å; H566-F603 AromaticContact ND1-CZ 3.91Å; H566-F603 AromaticContact NE2-CD1 3.74Å; H566-F603 AromaticContact NE2-CG 3.71Å; H566-D606 IonicContact CE1-OD2 3.47Å; H566-D606 PolarHBondContact CE1-OD2 3.07Å; H566-D606 WeakPolarHBondContact NE2-CB 3.29Å; H566-D606 IonicContact NE2-OD2 3.03Å; H566-D606 PolarHBondContact NE2-OD2 3.25Å; H566-F607 HydrophobicContact CB-CE1 4.41Å; H566-F607 HydrophobicContact CB-CZ 4.02Å; H566-F607 AromaticContact CD2-CE1 3.91Å; H566-F607 AromaticContact CD2-CZ 3.91Å
567	S	95.9	Very high	94.7	Very high	2 Å²	2	21 Å²	21	1%	0.014	12%	0.117	C	C	.	.	H	α-helix	trans	-57.1	-50	174.1	-179.1	0	0	0	0	111.7	L488 S490 A563 H571	L488-S567 WeakPolarHBondContact O-CB 3.41Å; S490-S567 WeakPolarHBondContact O-CB 3.47Å; S490-S567 PolarHBondContact O-OG 2.99Å; A563-S567 PolarHBondContact O-N 3.04Å; A563-S567 VanDerWaalsContact O-N 3.07Å; S567-H571 WeakPolarHBondContact O-CB 3.47Å; S567-H571 PolarHBondContact O-N 2.74Å
568	F	96	Very high	94.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.5	-52.7	-178.5	164.6	-114.8	0	0	0	113.5	L317 F542 L545 L546 L555 P564 F565 H566 L570 H571 Q572	L317-F568 HydrophobicContact CD1-CD2 4.02Å; F542-F568 HydrophobicContact CB-CD2 3.8Å; F542-F568 HydrophobicContact CB-CE2 4.13Å; F542-F568 HydrophobicContact CD1-CD1 4.47Å; F542-F568 AromaticContact CD1-CD2 3.89Å; F542-F568 HydrophobicContact CD1-CD2 3.89Å; F542-F568 HydrophobicContact CD1-CE2 4.24Å; F542-F568 HydrophobicContact CD1-CG 4.03Å; F542-F568 HydrophobicContact CD2-CB 4.1Å; F542-F568 HydrophobicContact CD2-CD2 4.26Å; F542-F568 HydrophobicContact CD2-CG 4.36Å; F542-F568 HydrophobicContact CE1-CB 4.43Å; F542-F568 HydrophobicContact CE1-CD1 4.39Å; F542-F568 HydrophobicContact CE1-CD2 4.49Å; F542-F568 HydrophobicContact CE1-CG 4.17Å; F542-F568 HydrophobicContact CE2-CB 3.99Å; F542-F568 HydrophobicContact CE2-CG 4.49Å; F542-F568 HydrophobicContact CG-CB 4.35Å; F542-F568 AromaticContact CG-CD2 3.73Å; F542-F568 HydrophobicContact CG-CD2 3.73Å; F542-F568 HydrophobicContact CG-CE2 4.32Å; F542-F568 HydrophobicContact CG-CG 4.1Å; F542-F568 HydrophobicContact CZ-CB 4.15Å; F542-F568 HydrophobicContact CZ-CG 4.39Å; L545-F568 HydrophobicContact CB-CE2 3.89Å; L545-F568 HydrophobicContact CB-CZ 4.04Å; L545-F568 HydrophobicContact CD1-CE1 4.35Å; L545-F568 HydrophobicContact CD1-CE2 3.73Å; L545-F568 HydrophobicContact CD1-CZ 3.57Å; L545-F568 HydrophobicContact CG-CE2 4.47Å; L545-F568 HydrophobicContact CG-CZ 4.49Å; L546-F568 HydrophobicContact CD2-CE2 4.49Å; L555-F568 HydrophobicContact CD1-CD1 4.19Å; L555-F568 HydrophobicContact CD1-CE1 4.23Å; L555-F568 HydrophobicContact CD2-CE1 4.44Å; P564-F568 VanDerWaalsContact O-CB 3.24Å; P564-F568 WeakPolarHBondContact O-CB 3.28Å; P564-F568 PolarHBondContact O-N 2.9Å; F565-F568 PolarHBondContact O-N 3.47Å; H566-F568 PolarHBondContact O-N 3.45Å; F568-L570 PolarHBondContact O-N 2.91Å; F568-H571 PolarHBondContact O-N 3.05Å; F568-Q572 HydrophobicContact CE2-CB 4.27Å; F568-Q572 WeakPolarHBondContact O-CB 3.22Å; F568-Q572 PolarHBondContact O-N 3.29Å
569	L	96.8	Very high	94.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65.3	-41.4	-174.6	-73.1	167.2	0	0	0	111.9	L555 F565 Q572 Y573 N588 L590 F607 L610 L616	L555-L569 HydrophobicContact CD1-CD1 3.87Å; L555-L569 HydrophobicContact CD1-CD2 3.87Å; L555-L569 HydrophobicContact CD1-CG 3.93Å; F565-L569 VanDerWaalsContact O-CB 3.31Å; F565-L569 WeakPolarHBondContact O-CB 3.44Å; F565-L569 VanDerWaalsContact O-CG 3.27Å; F565-L569 WeakPolarHBondContact O-CG 3.25Å; F565-L569 PolarHBondContact O-N 3.44Å; L569-Q572 PolarHBondContact O-N 2.95Å; L569-Y573 WeakPolarHBondContact O-CB 3.5Å; L569-Y573 PolarHBondContact O-N 3.28Å; L569-N588 HydrophobicContact CD2-CB 4.04Å; L569-L590 HydrophobicContact CD1-CD2 4.35Å; L569-F607 HydrophobicContact CD1-CD1 4.4Å; L569-F607 HydrophobicContact CD1-CE1 3.99Å; L569-L610 HydrophobicContact CB-CD1 3.83Å; L569-L616 HydrophobicContact CD1-CD1 3.82Å; L569-L616 HydrophobicContact CD1-CD2 4.02Å; L569-L616 HydrophobicContact CD2-CD1 4.12Å
570	L	95.6	Very high	93.7	Very high	23 Å²	23	29.3 Å²	29.3	12%	0.12	16%	0.157	C	C	.	.	H	α-helix	trans	-64.2	-42.1	175.2	-75.3	-176.2	0	0	0	111.8	P491 H566 F568 N574 D606 M609 L610	P491-L570 HydrophobicContact CG-CB 3.88Å; H566-L570 VanDerWaalsContact CE1-CD1 3.46Å; H566-L570 WeakPolarHBondContact CE1-CD1 3.44Å; H566-L570 VanDerWaalsContact NE2-CD1 3.32Å; H566-L570 WeakPolarHBondContact NE2-CD1 3.15Å; H566-L570 WeakPolarHBondContact O-CB 3.49Å; H566-L570 WeakPolarHBondContact O-CG 3.29Å; H566-L570 PolarHBondContact O-N 2.92Å; F568-L570 PolarHBondContact O-N 2.91Å; L570-N574 VanDerWaalsContact O-CB 3.31Å; L570-N574 WeakPolarHBondContact O-CB 3.45Å; L570-N574 VanDerWaalsContact O-CG 3.3Å; L570-N574 PolarHBondContact O-N 3.48Å; L570-N574 PolarHBondContact O-ND2 3.26Å; L570-D606 HydrophobicContact CD2-CB 4.46Å; L570-M609 HydrophobicContact CD2-CE 4.09Å; L570-L610 HydrophobicContact CD2-CD1 4.21Å; L570-L610 HydrophobicContact CD2-CD2 4.47Å; L570-L610 HydrophobicContact CD2-CG 4.47Å
571	H	94	Very high	93.3	Very high	47 Å²	47	33.4 Å²	33.4	22%	0.218	18%	0.178	C	C	.	.	H	α-helix	trans	-63.8	-46.9	176.9	-171	-83.8	0	0	0	112.1	L317 P491 S567 F568 Y573 N574 S575	L317-H571 HydrophobicContact CD1-CB 3.63Å; L317-H571 HydrophobicContact CD2-CB 3.62Å; L317-H571 HydrophobicContact CG-CB 4.15Å; P491-H571 HydrophobicContact CB-CB 3.77Å; S567-H571 WeakPolarHBondContact O-CB 3.47Å; S567-H571 PolarHBondContact O-N 2.74Å; F568-H571 PolarHBondContact O-N 3.05Å; H571-Y573 VanDerWaalsContact C-N 3.33Å; H571-Y573 PolarHBondContact O-N 3.29Å; H571-N574 PolarHBondContact O-N 3.45Å; H571-S575 PolarHBondContact CE1-OG 3.48Å; H571-S575 PolarHBondContact ND1-OG 2.99Å; H571-S575 VanDerWaalsContact O-CB 3.25Å; H571-S575 WeakPolarHBondContact O-CB 3.12Å; H571-S575 PolarHBondContact O-N 3.46Å; H571-S575 PolarHBondContact O-OG 3.4Å
572	Q	94.3	Very high	92.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-59.6	-46.7	-179.8	-169.8	-170.7	62.7	0	0	110.3	L545 L546 F568 L569 L576 N588 W615	L545-Q572 PolarHBondContact O-NE2 3.47Å; L546-Q572 HydrophobicContact CD2-CB 4.08Å; L546-Q572 HydrophobicContact CD2-CG 4.21Å; F568-Q572 HydrophobicContact CE2-CB 4.27Å; F568-Q572 WeakPolarHBondContact O-CB 3.22Å; F568-Q572 PolarHBondContact O-N 3.29Å; L569-Q572 PolarHBondContact O-N 2.95Å; Q572-L576 HydrophobicContact CG-CD1 3.73Å; Q572-L576 VanDerWaalsContact O-CB 3.28Å; Q572-L576 WeakPolarHBondContact O-CB 3.48Å; Q572-L576 WeakPolarHBondContact O-CG 3.18Å; Q572-L576 PolarHBondContact O-N 3.14Å; Q572-N588 PolarHBondContact OE1-ND2 3.1Å; Q572-W615 HydrophobicContact CG-CZ2 4.36Å; Q572-W615 VanDerWaalsContact OE1-NE1 3.12Å
573	Y	94	Very high	91.9	Very high	32 Å²	32	48 Å²	48	13%	0.125	25%	0.25	C	S	.	.	H	α-helix	trans	-60.3	-52.5	175.2	172.1	-110.8	0	0	0	112.1	L569 H571 S575 L576 K577 M609 L610 K613 W615	L569-Y573 WeakPolarHBondContact O-CB 3.5Å; L569-Y573 PolarHBondContact O-N 3.28Å; H571-Y573 VanDerWaalsContact C-N 3.33Å; H571-Y573 PolarHBondContact O-N 3.29Å; Y573-S575 VanDerWaalsContact C-N 3.29Å; Y573-S575 PolarHBondContact O-N 2.82Å; Y573-L576 PolarHBondContact O-N 2.87Å; Y573-K577 HydrophobicContact CD1-CD 4.32Å; Y573-K577 HydrophobicContact CD2-CB 4.1Å; Y573-K577 HydrophobicContact CD2-CD 4.47Å; Y573-K577 HydrophobicContact CE1-CD 3.88Å; Y573-K577 HydrophobicContact CE2-CB 3.93Å; Y573-K577 HydrophobicContact CE2-CD 4.04Å; Y573-K577 WeakPolarHBondContact O-CB 3.35Å; Y573-K577 VanDerWaalsContact O-CG 3.28Å; Y573-K577 WeakPolarHBondContact O-CG 3.45Å; Y573-K577 PolarHBondContact O-N 3.27Å; Y573-M609 HydrophobicContact CD1-CE 4.28Å; Y573-M609 HydrophobicContact CE1-CE 4.13Å; Y573-L610 HydrophobicContact CD1-CD2 3.93Å; Y573-L610 HydrophobicContact CD2-CD2 4.24Å; Y573-L610 HydrophobicContact CG-CD2 3.66Å; Y573-K613 HydrophobicContact CE2-CB 4.18Å; Y573-K613 HydrophobicContact CE2-CG 4.29Å; Y573-W615 HydrophobicContact CD2-CB 4.38Å; Y573-W615 AromaticContact CD2-CD2 3.69Å; Y573-W615 HydrophobicContact CD2-CD2 3.69Å; Y573-W615 AromaticContact CD2-CE3 3.67Å; Y573-W615 HydrophobicContact CD2-CE3 3.67Å; Y573-W615 HydrophobicContact CD2-CG 4Å; Y573-W615 HydrophobicContact CD2-CZ3 4.15Å; Y573-W615 HydrophobicContact CE2-CE3 4.29Å; Y573-W615 HydrophobicContact CG-CD2 4.42Å
574	N	92.3	Very high	91.4	Very high	80 Å²	80	51.8 Å²	51.8	43%	0.428	27%	0.269	S	S	.	.	H	α-helix	trans	-63.5	-35.7	-175.4	-76	-30.3	0	0	0	113.2	L570 H571 K577	L570-N574 VanDerWaalsContact O-CB 3.31Å; L570-N574 WeakPolarHBondContact O-CB 3.45Å; L570-N574 VanDerWaalsContact O-CG 3.3Å; L570-N574 PolarHBondContact O-N 3.48Å; L570-N574 PolarHBondContact O-ND2 3.26Å; H571-N574 PolarHBondContact O-N 3.45Å; N574-K577 PolarHBondContact OD1-NZ 3.2Å
575	S	89.9	Confident	90.9	Very high	46 Å²	46	53.3 Å²	53.3	32%	0.322	28%	0.276	S	S	.	.	H	α-helix	trans	-81.1	-31.9	-177	-53.5	0	0	0	0	113.1	H571 Y573 H579	H571-S575 PolarHBondContact CE1-OG 3.48Å; H571-S575 PolarHBondContact ND1-OG 2.99Å; H571-S575 VanDerWaalsContact O-CB 3.25Å; H571-S575 WeakPolarHBondContact O-CB 3.12Å; H571-S575 PolarHBondContact O-N 3.46Å; H571-S575 PolarHBondContact O-OG 3.4Å; Y573-S575 VanDerWaalsContact C-N 3.29Å; Y573-S575 PolarHBondContact O-N 2.82Å; S575-H579 PolarHBondContact O-ND1 3.17Å; S575-H579 VanDerWaalsContact O-ND1 3.11Å
576	L	91.9	Very high	90.3	Very high	12 Å²	12	53.5 Å²	53.5	6%	0.063	28%	0.277	C	S	.	.	H	α-helix	trans	-106.5	-19.6	-170.8	-57.9	-178.8	0	0	0	114.1	P550 Q572 Y573 S578 H579 L580 W615	P550-L576 HydrophobicContact CB-CD1 4.04Å; P550-L576 HydrophobicContact CG-CD1 4Å; Q572-L576 HydrophobicContact CG-CD1 3.73Å; Q572-L576 VanDerWaalsContact O-CB 3.28Å; Q572-L576 WeakPolarHBondContact O-CB 3.48Å; Q572-L576 WeakPolarHBondContact O-CG 3.18Å; Q572-L576 PolarHBondContact O-N 3.14Å; Y573-L576 PolarHBondContact O-N 2.87Å; L576-S578 PolarHBondContact O-N 3.41Å; L576-H579 PolarHBondContact O-N 3.3Å; L576-L580 HydrophobicContact CB-CD1 3.78Å; L576-L580 HydrophobicContact CB-CG 4.05Å; L576-L580 HydrophobicContact CD1-CD1 4.23Å; L576-L580 PolarHBondContact O-N 3.26Å; L576-L580 VanDerWaalsContact O-N 3.09Å; L576-W615 HydrophobicContact CB-CH2 3.93Å; L576-W615 HydrophobicContact CB-CZ2 3.95Å
577	K	90.6	Very high	90	Very high	100 Å²	100	57 Å²	57	44%	0.435	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-30.6	-175	66.4	-171.9	178.2	-166.8	0	115.1	Y573 N574 H579 W615	Y573-K577 HydrophobicContact CD1-CD 4.32Å; Y573-K577 HydrophobicContact CD2-CB 4.1Å; Y573-K577 HydrophobicContact CD2-CD 4.47Å; Y573-K577 HydrophobicContact CE1-CD 3.88Å; Y573-K577 HydrophobicContact CE2-CB 3.93Å; Y573-K577 HydrophobicContact CE2-CD 4.04Å; Y573-K577 WeakPolarHBondContact O-CB 3.35Å; Y573-K577 VanDerWaalsContact O-CG 3.28Å; Y573-K577 WeakPolarHBondContact O-CG 3.45Å; Y573-K577 PolarHBondContact O-N 3.27Å; N574-K577 PolarHBondContact OD1-NZ 3.2Å; K577-H579 VanDerWaalsContact C-N 3.34Å; K577-W615 HydrophobicContact CB-CZ3 4.42Å
578	S	90.1	Very high	90	Very high	93 Å²	93	57.1 Å²	57.1	65%	0.65	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-12.2	178.6	54.7	0	0	0	0	113.6	L576	L576-S578 PolarHBondContact O-N 3.41Å
579	H	88.6	Confident	90.1	Very high	119 Å²	119	57.2 Å²	57.2	55%	0.551	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.2	-19	-172	-58.3	105.9	0	0	0	113.2	L548 S575 L576 K577	L548-H579 HydrophobicContact CD2-CB 3.8Å; S575-H579 PolarHBondContact O-ND1 3.17Å; S575-H579 VanDerWaalsContact O-ND1 3.11Å; L576-H579 PolarHBondContact O-N 3.3Å; K577-H579 VanDerWaalsContact C-N 3.34Å
580	L	86.6	Confident	90.2	Very high	17 Å²	17	57.2 Å²	57.2	9%	0.089	30%	0.3	C	S	.	.			trans	-102.3	131.8	-176.7	-59	-174.9	0	0	0	111.3	L548 P550 L576 M584 W615	L548-L580 WeakPolarHBondContact O-CD2 3.47Å; P550-L580 HydrophobicContact CG-CD1 3.78Å; L576-L580 HydrophobicContact CB-CD1 3.78Å; L576-L580 HydrophobicContact CB-CG 4.05Å; L576-L580 HydrophobicContact CD1-CD1 4.23Å; L576-L580 PolarHBondContact O-N 3.26Å; L576-L580 VanDerWaalsContact O-N 3.09Å; L580-M584 HydrophobicContact CB-CB 4.16Å; L580-M584 HydrophobicContact CD2-CB 4.03Å; L580-M584 HydrophobicContact CD2-CE 4.24Å; L580-W615 HydrophobicContact CD1-CH2 3.79Å; L580-W615 HydrophobicContact CD1-CZ2 4.28Å
581	N	84.9	Confident	90.3	Very high	117 Å²	117	56.1 Å²	56.1	63%	0.626	29%	0.294	S	S	*	.			trans	-74.4	163.6	162.9	-66.7	-34.9	0	0	0	109.9	D583 M584 I585	N581-D583 PolarHBondContact O-N 3.48Å; N581-D583 VanDerWaalsContact O-N 3.13Å; N581-M584 HydrophobicContact CB-CG 4.37Å; N581-M584 HydrophobicContact CB-SD 4.31Å; N581-M584 WeakPolarHBondContact O-CB 3.4Å; N581-M584 PolarHBondContact O-N 2.51Å; N581-I585 PolarHBondContact O-N 3.44Å
582	H	80.4	Confident	90.5	Very high	153 Å²	153	53.9 Å²	53.9	71%	0.708	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-52.9	-38.3	-177.7	-167.8	-75.8	0	0	0	113.2	M584 I585	H582-M584 PolarHBondContact O-N 3.02Å; H582-I585 WeakPolarHBondContact O-CG1 3.27Å; H582-I585 PolarHBondContact O-N 3.49Å
583	D	81.7	Confident	90.6	Very high	155 Å²	155	54.3 Å²	54.3	83%	0.829	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-77.8	-7.6	-179.3	-54.3	-29.5	0	0	0	113.9	N581	N581-D583 PolarHBondContact O-N 3.48Å; N581-D583 VanDerWaalsContact O-N 3.13Å
584	M	84.8	Confident	90.6	Very high	84 Å²	84	53.1 Å²	53.1	41%	0.414	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-102.1	-2.6	178.2	-56.9	178.5	71.9	0	0	112.5	L548 L580 N581 H582	L548-M584 WeakPolarHBondContact O-CE 3.42Å; L580-M584 HydrophobicContact CB-CB 4.16Å; L580-M584 HydrophobicContact CD2-CB 4.03Å; L580-M584 HydrophobicContact CD2-CE 4.24Å; N581-M584 HydrophobicContact CB-CG 4.37Å; N581-M584 HydrophobicContact CB-SD 4.31Å; N581-M584 WeakPolarHBondContact O-CB 3.4Å; N581-M584 PolarHBondContact O-N 2.51Å; H582-M584 PolarHBondContact O-N 3.02Å
585	I	85.3	Confident	90.7	Very high	37 Å²	37	52.6 Å²	52.6	19%	0.19	28%	0.276	C	S	.	.			trans	-66.5	129.7	179.9	-62.9	176.5	0	0	0	108.9	N581 H582 W615	N581-I585 PolarHBondContact O-N 3.44Å; H582-I585 WeakPolarHBondContact O-CG1 3.27Å; H582-I585 PolarHBondContact O-N 3.49Å; I585-W615 HydrophobicContact CD1-CE3 4.42Å; I585-W615 HydrophobicContact CD1-CZ3 4.38Å; I585-W615 HydrophobicContact CG1-CE3 4.36Å; I585-W615 HydrophobicContact CG1-CZ3 4.05Å; I585-W615 HydrophobicContact CG2-CD2 4.19Å; I585-W615 HydrophobicContact CG2-CE3 3.8Å; I585-W615 HydrophobicContact CG2-CZ3 4.18Å
586	P	85.2	Confident	90.9	Very high	5 Å²	5	53 Å²	53	3%	0.032	27%	0.271	C	S	.	.			trans	-66.8	144.5	179.4	25.9	-30.4	0	0	0	110.9	P550 N588 W615	P550-P586 HydrophobicContact CB-CB 4.02Å; P550-P586 HydrophobicContact CB-CG 4.02Å; P550-P586 HydrophobicContact CG-CB 3.78Å; P550-P586 HydrophobicContact CG-CG 3.59Å; P586-N588 PolarHBondContact O-N 3.33Å; P586-N588 VanDerWaalsContact O-N 3.14Å; P586-W615 HydrophobicContact CG-CZ2 4.45Å
587	T	90.4	Very high	91	Very high	76 Å²	76	54.6 Å²	54.6	47%	0.466	28%	0.283	S	S	.	.			trans	-82.8	92	171.3	-52.9	0	0	0	0	109.4	S552 C553 V589	S552-T587 WeakPolarHBondContact CA-O 3.39Å; S552-T587 VanDerWaalsContact CB-O 3.24Å; S552-T587 WeakPolarHBondContact CB-O 3.36Å; S552-T587 WeakPolarHBondContact OG-CB 3.5Å; S552-T587 PolarHBondContact OG-N 2.61Å; C553-T587 PolarHBondContact N-O 3.2Å; C553-T587 VanDerWaalsContact N-O 3.16Å; T587-V589 HydrophobicContact CG2-CG2 4.42Å
588	N	96.7	Very high	91.1	Very high	3 Å²	3	55.1 Å²	55.1	2%	0.016	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	125.6	172.5	-59.7	-50.6	0	0	0	110.5	C553 L569 Q572 P586 W615 L616 R617	C553-N588 WeakPolarHBondContact CB-OD1 3.08Å; C553-N588 WeakPolarHBondContact O-CA 3.28Å; L569-N588 HydrophobicContact CD2-CB 4.04Å; Q572-N588 PolarHBondContact OE1-ND2 3.1Å; P586-N588 PolarHBondContact O-N 3.33Å; P586-N588 VanDerWaalsContact O-N 3.14Å; N588-W615 WeakPolarHBondContact CB-O 3.14Å; N588-W615 PolarHBondContact ND2-O 3.18Å; N588-L616 HydrophobicContact CB-CD1 4.13Å; N588-R617 PolarHBondContact O-N 3.45Å
589	V	98.2	Very high	91.2	Very high	3 Å²	3	53.2 Å²	53.2	2%	0.018	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	125.9	172.5	178.4	0	0	0	0	109.2	C553 L554 L555 T587 F591 R617 I619 I648 I652	C553-V589 PolarHBondContact O-N 3.23Å; L554-V589 HydrophobicContact CD1-CB 4.22Å; L554-V589 HydrophobicContact CD1-CG1 4.25Å; L555-V589 PolarHBondContact N-O 3.41Å; T587-V589 HydrophobicContact CG2-CG2 4.42Å; V589-F591 HydrophobicContact CG1-CD2 3.96Å; V589-F591 HydrophobicContact CG1-CE2 3.5Å; V589-F591 HydrophobicContact CG1-CZ 4.31Å; V589-R617 CarbonylContact C-O 3.59Å; V589-R617 WeakPolarHBondContact CA-O 3.26Å; V589-R617 HydrophobicContact CG2-CB 4.24Å; V589-I619 HydrophobicContact CG1-CD1 4.05Å; V589-I648 HydrophobicContact CB-CG2 4.4Å; V589-I648 HydrophobicContact CG1-CG2 3.95Å; V589-I648 HydrophobicContact CG2-CG2 3.76Å; V589-I652 HydrophobicContact CB-CD1 3.58Å; V589-I652 HydrophobicContact CG2-CD1 3.5Å
590	L	98.5	Very high	91.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	116.8	179	170.7	62.8	0	0	0	110.6	L555 A557 I562 F565 L569 F592 F607 L616 R617 I618 I619	L555-L590 HydrophobicContact CB-CB 4.29Å; L555-L590 HydrophobicContact CB-CD1 3.68Å; L555-L590 CarbonylContact O-C 3.6Å; L555-L590 VanDerWaalsContact O-CA 3.31Å; L555-L590 WeakPolarHBondContact O-CA 3.32Å; A557-L590 HydrophobicContact CB-CD1 4.35Å; I562-L590 HydrophobicContact CD1-CD1 3.99Å; I562-L590 HydrophobicContact CD1-CD2 3.71Å; I562-L590 HydrophobicContact CD1-CG 4.42Å; F565-L590 HydrophobicContact CD2-CD1 3.79Å; F565-L590 HydrophobicContact CE2-CD1 4.42Å; L569-L590 HydrophobicContact CD1-CD2 4.35Å; L590-F592 HydrophobicContact CD1-CB 4.4Å; L590-F592 HydrophobicContact CD2-CB 4.46Å; L590-F592 HydrophobicContact CG-CB 4.18Å; L590-F607 HydrophobicContact CD2-CD1 4.34Å; L590-F607 HydrophobicContact CD2-CE1 4.09Å; L590-F607 HydrophobicContact CD2-CE2 4.46Å; L590-F607 HydrophobicContact CD2-CZ 4.16Å; L590-L616 HydrophobicContact CB-CD1 3.73Å; L590-L616 HydrophobicContact CD2-CD2 4.45Å; L590-R617 PolarHBondContact N-O 3.01Å; L590-I618 HydrophobicContact CB-CG1 4.45Å; L590-I618 HydrophobicContact CD2-CD1 3.76Å; L590-I618 HydrophobicContact CD2-CG1 4.15Å; L590-I618 HydrophobicContact CG-CD1 4.36Å; L590-I618 HydrophobicContact CG-CG1 4.24Å; L590-I618 CarbonylContact O-C 3.57Å; L590-I618 WeakPolarHBondContact O-CA 3.2Å; L590-I619 PolarHBondContact O-N 3.39Å
591	F	98.4	Very high	92.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	112.4	165.4	-70.4	-97.8	0	0	0	108.7	L554 L555 I556 A557 V589 I619 Q641 L642 Y645 V649	L554-F591 HydrophobicContact CD1-CD2 3.7Å; L554-F591 HydrophobicContact CD1-CE2 3.56Å; L555-F591 PolarHBondContact O-N 2.97Å; I556-F591 WeakPolarHBondContact CA-O 3.23Å; I556-F591 HydrophobicContact CG1-CB 4.26Å; A557-F591 PolarHBondContact N-O 3.35Å; V589-F591 HydrophobicContact CG1-CD2 3.96Å; V589-F591 HydrophobicContact CG1-CE2 3.5Å; V589-F591 HydrophobicContact CG1-CZ 4.31Å; F591-I619 WeakPolarHBondContact CA-O 3.45Å; F591-I619 HydrophobicContact CD1-CB 3.82Å; F591-I619 HydrophobicContact CD1-CD1 4.34Å; F591-I619 HydrophobicContact CD1-CG2 3.77Å; F591-I619 HydrophobicContact CE1-CB 3.88Å; F591-I619 HydrophobicContact CE1-CD1 3.59Å; F591-I619 HydrophobicContact CE1-CG1 4.33Å; F591-I619 HydrophobicContact CE1-CG2 3.69Å; F591-I619 HydrophobicContact CE2-CD1 4.02Å; F591-I619 HydrophobicContact CG-CB 4.36Å; F591-I619 HydrophobicContact CZ-CB 4.45Å; F591-I619 HydrophobicContact CZ-CD1 3.41Å; F591-I619 VanDerWaalsContact CZ-CD1 3.41Å; F591-I619 HydrophobicContact CZ-CG1 4.49Å; F591-Q641 HydrophobicContact CD1-CB 3.66Å; F591-Q641 HydrophobicContact CE1-CB 3.89Å; F591-L642 HydrophobicContact CD1-CD2 4.13Å; F591-L642 HydrophobicContact CD1-CG 4.23Å; F591-L642 HydrophobicContact CD2-CD2 3.74Å; F591-L642 HydrophobicContact CE1-CD2 4.09Å; F591-L642 HydrophobicContact CE1-CG 4.38Å; F591-L642 HydrophobicContact CE2-CD2 3.71Å; F591-L642 HydrophobicContact CG-CD2 3.95Å; F591-L642 HydrophobicContact CG-CG 4.34Å; F591-L642 HydrophobicContact CZ-CD2 3.88Å; F591-Y645 HydrophobicContact CE1-CD2 4.22Å; F591-V649 HydrophobicContact CE2-CG2 4.09Å; F591-V649 HydrophobicContact CZ-CG2 3.94Å
592	F	97.9	Very high	92.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	117.3	-176.2	178.5	-142.7	0	0	0	112.3	A557 G559 I562 L590 C594 Y601 Y602 I618 I619 P620 A621	A557-F592 HydrophobicContact CB-CD2 4.08Å; A557-F592 WeakPolarHBondContact O-CA 3.48Å; G559-F592 WeakPolarHBondContact O-CE2 3.32Å; I562-F592 HydrophobicContact CB-CD2 4.17Å; I562-F592 HydrophobicContact CB-CE2 3.76Å; I562-F592 HydrophobicContact CB-CZ 4.05Å; I562-F592 HydrophobicContact CD1-CB 4.43Å; I562-F592 HydrophobicContact CD1-CD1 4.36Å; I562-F592 HydrophobicContact CD1-CD2 3.97Å; I562-F592 HydrophobicContact CD1-CE2 4.4Å; I562-F592 HydrophobicContact CD1-CG 4Å; I562-F592 HydrophobicContact CG1-CD1 4.41Å; I562-F592 HydrophobicContact CG1-CD2 4.22Å; I562-F592 HydrophobicContact CG1-CE1 4.34Å; I562-F592 HydrophobicContact CG1-CE2 4.15Å; I562-F592 HydrophobicContact CG1-CG 4.41Å; I562-F592 HydrophobicContact CG1-CZ 4.24Å; I562-F592 HydrophobicContact CG2-CE2 4.24Å; I562-F592 HydrophobicContact CG2-CZ 4.12Å; L590-F592 HydrophobicContact CD1-CB 4.4Å; L590-F592 HydrophobicContact CD2-CB 4.46Å; L590-F592 HydrophobicContact CG-CB 4.18Å; F592-C594 HydrophobicContact CZ-CB 4.08Å; F592-Y601 AromaticContact CD1-CD2 3.72Å; F592-Y601 HydrophobicContact CD1-CD2 3.72Å; F592-Y601 AromaticContact CD1-CE2 3.51Å; F592-Y601 HydrophobicContact CD1-CE2 3.51Å; F592-Y601 AromaticContact CE1-CD2 3.56Å; F592-Y601 HydrophobicContact CE1-CD2 3.56Å; F592-Y601 AromaticContact CE1-CE2 3.87Å; F592-Y601 HydrophobicContact CE1-CE2 3.87Å; F592-Y602 AromaticContact CZ-CD2 3.93Å; F592-Y602 HydrophobicContact CZ-CD2 3.93Å; F592-I618 HydrophobicContact CB-CD1 4.44Å; F592-I619 PolarHBondContact N-O 2.93Å; F592-I619 VanDerWaalsContact N-O 3.07Å; F592-P620 CarbonylContact O-C 3.5Å; F592-P620 WeakPolarHBondContact O-CA 3.41Å; F592-A621 PolarHBondContact O-N 3.24Å
593	G	95.8	Very high	93.5	Very high	8 Å²	8	38.7 Å²	38.7	8%	0.082	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	125.3	177.2	0	0	0	0	0	113.6	A557 T558 G559 A621 V638	A557-G593 PolarHBondContact O-N 3.01Å; T558-G593 CarbonylContact C-O 3.51Å; T558-G593 VanDerWaalsContact CA-O 3.28Å; T558-G593 WeakPolarHBondContact CA-O 3.49Å; G559-G593 PolarHBondContact N-O 3.1Å; G593-A621 WeakPolarHBondContact CA-O 3.29Å; G593-V638 VanDerWaalsContact N-CG1 3.35Å
594	C	95.2	Very high	94.2	Very high	7 Å²	7	33.1 Å²	33.1	5%	0.047	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	-174.8	168	68.9	0	0	0	0	110.4	F592 Y596 D600 A621 F622 S623	F592-C594 HydrophobicContact CZ-CB 4.08Å; C594-Y596 PolarHBondContact SG-O 2.84Å; C594-D600 WeakPolarHBondContact CB-OD2 3.5Å; C594-A621 PolarHBondContact N-O 2.63Å; C594-A621 VanDerWaalsContact N-O 3.08Å; C594-A621 VanDerWaalsContact O-O 3.09Å; C594-F622 VanDerWaalsContact SG-CD1 3.52Å; C594-S623 PolarHBondContact O-N 2.78Å; C594-S623 PolarHBondContact O-OG 3.46Å; C594-S623 VanDerWaalsContact O-OG 3.05Å
595	R	93.8	Very high	94.7	Very high	70 Å²	70	33.1 Å²	33.1	26%	0.264	18%	0.184	S	C	.	.	S	Bend	trans	-84.2	-47.3	-178.3	-65.8	179.3	178.7	-156.3	6.6	111.9	F294 D600 S623 R624	F294-R595 VanDerWaalsContact CD1-NH1 3.25Å; R595-D600 WeakPolarHBondContact CB-OD2 3.35Å; R595-D600 PolarHBondContact N-OD1 2.83Å; R595-D600 PolarHBondContact N-OD2 3.26Å; R595-S623 WeakPolarHBondContact CA-OG 3.31Å; R595-R624 HydrophobicContact CB-CB 4.37Å; R595-R624 HydrophobicContact CB-CG 4.23Å; R595-R624 HydrophobicContact CG-CG 4.4Å; R595-R624 WeakPolarHBondContact O-CA 3.38Å; R595-R624 PolarHBondContact O-N 3.11Å
596	Y	94.1	Very high	95.3	Very high	55 Å²	55	33.9 Å²	33.9	22%	0.216	19%	0.189	C	C	.	.			trans	-137.6	145.8	-174.7	-56	-85.2	0	0	0	111.2	H293 C594 T598 K599 D600 R624	H293-Y596 AromaticContact CE1-CD2 3.83Å; H293-Y596 AromaticContact ND1-CD2 3.88Å; C594-Y596 PolarHBondContact SG-O 2.84Å; Y596-T598 PolarHBondContact O-N 3.45Å; Y596-K599 HydrophobicContact CD2-CB 4.13Å; Y596-K599 HydrophobicContact CD2-CD 3.88Å; Y596-K599 HydrophobicContact CD2-CG 4.22Å; Y596-K599 HydrophobicContact CE2-CD 4.33Å; Y596-K599 HydrophobicContact CG-CB 4.29Å; Y596-K599 HydrophobicContact CG-CD 4.03Å; Y596-K599 HydrophobicContact CG-CG 4.11Å; Y596-D600 PolarHBondContact N-OD1 2.7Å; Y596-D600 VanDerWaalsContact O-OD1 3.08Å; Y596-R624 HydrophobicContact CD1-CB 4.28Å; Y596-R624 HydrophobicContact CE1-CB 3.64Å; Y596-R624 WeakPolarHBondContact CE1-O 3.44Å; Y596-R624 HydrophobicContact CE2-CB 4.04Å; Y596-R624 VanDerWaalsContact CZ-CB 3.48Å
597	S	93.6	Very high	95.9	Very high	44 Å²	44	33.7 Å²	33.7	31%	0.308	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-24.5	175.3	60.8	0	0	0	0	113.5	Y601 E625	S597-Y601 VanDerWaalsContact O-CB 3.27Å; S597-Y601 WeakPolarHBondContact O-CB 3.41Å; S597-E625 WeakPolarHBondContact CB-OE2 3.23Å; S597-E625 PolarHBondContact N-OE2 2.92Å; S597-E625 PolarHBondContact OG-OE2 3.1Å
598	T	92.7	Very high	96.3	Very high	111 Å²	111	36 Å²	36	68%	0.681	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.5	-12	-174	54.7	0	0	0	0	114.3	Y596	Y596-T598 PolarHBondContact O-N 3.45Å
599	K	93.8	Very high	96.3	Very high	53 Å²	53	38.9 Å²	38.9	23%	0.23	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-32.7	-170.5	-51.5	-168	-177.9	-167	0	114.6	T289 S290 D292 H293 Y596	T289-K599 WeakPolarHBondContact CA-O 3.37Å; T289-K599 WeakPolarHBondContact CB-O 3.48Å; S290-K599 PolarHBondContact N-O 2.85Å; S290-K599 WeakPolarHBondContact OG-CB 3.48Å; S290-K599 WeakPolarHBondContact OG-CD 3.45Å; S290-K599 WeakPolarHBondContact OG-CG 3.28Å; D292-K599 IonicContact OD2-NZ 3.44Å; D292-K599 PolarHBondContact OD2-NZ 3.14Å; H293-K599 HydrophobicContact CB-CB 4.28Å; Y596-K599 HydrophobicContact CD2-CB 4.13Å; Y596-K599 HydrophobicContact CD2-CD 3.88Å; Y596-K599 HydrophobicContact CD2-CG 4.22Å; Y596-K599 HydrophobicContact CE2-CD 4.33Å; Y596-K599 HydrophobicContact CG-CB 4.29Å; Y596-K599 HydrophobicContact CG-CD 4.03Å; Y596-K599 HydrophobicContact CG-CG 4.11Å
600	D	96.2	Very high	96.2	Very high	8 Å²	8	38.8 Å²	38.8	4%	0.043	21%	0.205	C	C	.	.	S	Bend	trans	-145.1	25	-174.8	61.5	-42.3	0	0	0	112.6	T289 H293 C594 R595 Y596 Y602	T289-D600 HydrophobicContact CG2-CB 4.25Å; H293-D600 IonicContact CE1-OD1 3.58Å; H293-D600 IonicContact CE1-OD2 2.8Å; H293-D600 IonicContact NE2-OD2 2.69Å; C594-D600 WeakPolarHBondContact CB-OD2 3.5Å; R595-D600 WeakPolarHBondContact CB-OD2 3.35Å; R595-D600 PolarHBondContact N-OD1 2.83Å; R595-D600 PolarHBondContact N-OD2 3.26Å; Y596-D600 PolarHBondContact N-OD1 2.7Å; Y596-D600 VanDerWaalsContact O-OD1 3.08Å; D600-Y602 HydrophobicContact CB-CE1 4.37Å; D600-Y602 HydrophobicContact CB-CE2 4.5Å; D600-Y602 WeakPolarHBondContact O-CD2 3.46Å; D600-Y602 WeakPolarHBondContact O-CE2 3.3Å; D600-Y602 PolarHBondContact O-N 3.2Å; D600-Y602 VanDerWaalsContact O-N 3.13Å
601	Y	96.7	Very high	96.1	Very high	51 Å²	51	43 Å²	43	20%	0.2	22%	0.224	C	C	.	.			trans	-84.9	77.7	173.2	-166.1	-136.3	0	0	0	110.7	F592 S597 A604 I618 P620 F622	F592-Y601 AromaticContact CD1-CD2 3.72Å; F592-Y601 HydrophobicContact CD1-CD2 3.72Å; F592-Y601 AromaticContact CD1-CE2 3.51Å; F592-Y601 HydrophobicContact CD1-CE2 3.51Å; F592-Y601 AromaticContact CE1-CD2 3.56Å; F592-Y601 HydrophobicContact CE1-CD2 3.56Å; F592-Y601 AromaticContact CE1-CE2 3.87Å; F592-Y601 HydrophobicContact CE1-CE2 3.87Å; S597-Y601 VanDerWaalsContact O-CB 3.27Å; S597-Y601 WeakPolarHBondContact O-CB 3.41Å; Y601-A604 HydrophobicContact CD1-CB 3.44Å; Y601-A604 VanDerWaalsContact CD1-CB 3.44Å; Y601-A604 HydrophobicContact CE1-CB 3.72Å; Y601-A604 HydrophobicContact CG-CB 4.28Å; Y601-I618 HydrophobicContact CE2-CD1 4.4Å; Y601-I618 VanDerWaalsContact OH-CD1 3.31Å; Y601-I618 WeakPolarHBondContact OH-CD1 3.26Å; Y601-P620 HydrophobicContact CE2-CB 4.21Å; Y601-F622 AromaticContact CD2-CE1 3.76Å; Y601-F622 HydrophobicContact CD2-CE1 3.76Å; Y601-F622 HydrophobicContact CD2-CZ 4.24Å; Y601-F622 HydrophobicContact CE2-CE1 4.07Å; Y601-F622 HydrophobicContact CE2-CZ 4.2Å; Y601-F622 HydrophobicContact CG-CE1 4.08Å; Y601-F622 HydrophobicContact CG-CZ 4.42Å
602	Y	97.2	Very high	96	Very high	16 Å²	16	49.6 Å²	49.6	6%	0.063	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	143.5	-174.4	-47.7	-64.2	0	0	0	112.3	V288 T289 T297 L498 I562 F592 D600 A604	V288-Y602 HydrophobicContact CG2-CD1 3.94Å; V288-Y602 HydrophobicContact CG2-CE1 3.96Å; T289-Y602 HydrophobicContact CG2-CE1 4.02Å; T297-Y602 HydrophobicContact CG2-CE1 3.8Å; T297-Y602 PolarHBondContact OG1-OH 3.02Å; L498-Y602 HydrophobicContact CD1-CD1 4.08Å; L498-Y602 HydrophobicContact CD1-CE1 4.35Å; L498-Y602 HydrophobicContact CD1-CG 4.42Å; L498-Y602 HydrophobicContact CD2-CD1 4.31Å; L498-Y602 HydrophobicContact CD2-CD2 3.86Å; L498-Y602 HydrophobicContact CD2-CE2 4.3Å; L498-Y602 HydrophobicContact CD2-CG 3.87Å; I562-Y602 HydrophobicContact CG2-CD2 3.91Å; I562-Y602 HydrophobicContact CG2-CG 4.39Å; F592-Y602 AromaticContact CZ-CD2 3.93Å; F592-Y602 HydrophobicContact CZ-CD2 3.93Å; D600-Y602 HydrophobicContact CB-CE1 4.37Å; D600-Y602 HydrophobicContact CB-CE2 4.5Å; D600-Y602 WeakPolarHBondContact O-CD2 3.46Å; D600-Y602 WeakPolarHBondContact O-CE2 3.3Å; D600-Y602 PolarHBondContact O-N 3.2Å; D600-Y602 VanDerWaalsContact O-N 3.13Å; Y602-A604 PolarHBondContact O-N 3.1Å; Y602-A604 VanDerWaalsContact O-N 3.13Å
603	F	97.6	Very high	95.7	Very high	26 Å²	26	55.4 Å²	55.4	11%	0.114	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	25.1	175.2	-44.5	-67.1	0	0	0	115.5	L299 A489 L498 I562 H566 S605 D606 F607	L299-F603 HydrophobicContact CD1-CE1 3.95Å; L299-F603 HydrophobicContact CD1-CZ 3.95Å; L299-F603 HydrophobicContact CD2-CE1 4.17Å; A489-F603 HydrophobicContact CB-CZ 3.96Å; L498-F603 HydrophobicContact CB-CZ 4.45Å; L498-F603 HydrophobicContact CD1-CZ 4.38Å; L498-F603 HydrophobicContact CD2-CE2 3.9Å; L498-F603 HydrophobicContact CD2-CZ 4.26Å; I562-F603 HydrophobicContact CG2-CD2 4.07Å; I562-F603 HydrophobicContact CG2-CE2 4.01Å; H566-F603 HydrophobicContact CB-CD2 3.78Å; H566-F603 HydrophobicContact CB-CE2 4.02Å; H566-F603 HydrophobicContact CB-CG 4.27Å; H566-F603 AromaticContact CD2-CG 3.61Å; H566-F603 AromaticContact CE1-CD1 3.4Å; H566-F603 VanDerWaalsContact CE1-CD1 3.4Å; H566-F603 WeakPolarHBondContact CE1-CD1 3.1Å; H566-F603 AromaticContact CE1-CE1 3.83Å; H566-F603 AromaticContact CE1-CG 3.75Å; H566-F603 AromaticContact CG-CD1 3.96Å; H566-F603 AromaticContact CG-CD2 3.6Å; H566-F603 AromaticContact CG-CG 3.58Å; H566-F603 AromaticContact ND1-CD1 3.54Å; H566-F603 AromaticContact ND1-CD2 3.9Å; H566-F603 AromaticContact ND1-CE1 3.67Å; H566-F603 AromaticContact ND1-CE2 4Å; H566-F603 AromaticContact ND1-CG 3.67Å; H566-F603 AromaticContact ND1-CZ 3.91Å; H566-F603 AromaticContact NE2-CD1 3.74Å; H566-F603 AromaticContact NE2-CG 3.71Å; F603-S605 PolarHBondContact O-N 3.43Å; F603-S605 VanDerWaalsContact O-N 3.14Å; F603-D606 PolarHBondContact O-N 2.66Å; F603-F607 HydrophobicContact CB-CD2 4.13Å; F603-F607 HydrophobicContact CB-CE2 3.73Å; F603-F607 HydrophobicContact CB-CZ 4.15Å; F603-F607 HydrophobicContact CD2-CE2 4.45Å; F603-F607 WeakPolarHBondContact O-CD2 3.1Å; F603-F607 PolarHBondContact O-N 3.08Å; F603-F607 VanDerWaalsContact O-N 3.08Å
604	A	96.3	Very high	95.6	Very high	39 Å²	39	57.3 Å²	57.3	32%	0.322	30%	0.3	S	S	.	.	H	α-helix	trans	-53.7	-36.6	-177.2	0	0	0	0	0	114.2	Y601 Y602 K608	Y601-A604 HydrophobicContact CD1-CB 3.44Å; Y601-A604 VanDerWaalsContact CD1-CB 3.44Å; Y601-A604 HydrophobicContact CE1-CB 3.72Å; Y601-A604 HydrophobicContact CG-CB 4.28Å; Y602-A604 PolarHBondContact O-N 3.1Å; Y602-A604 VanDerWaalsContact O-N 3.13Å; A604-K608 VanDerWaalsContact O-CB 3.22Å; A604-K608 WeakPolarHBondContact O-CB 3.48Å; A604-K608 PolarHBondContact O-N 3.26Å
605	S	96.4	Very high	95.6	Very high	83 Å²	83	57.3 Å²	57.3	58%	0.58	30%	0.299	S	S	*	.	H	α-helix	trans	-63	-42.5	176.9	52.6	0	0	0	0	112.4	F603 K608 M609	F603-S605 PolarHBondContact O-N 3.43Å; F603-S605 VanDerWaalsContact O-N 3.14Å; S605-K608 PolarHBondContact O-N 2.83Å; S605-M609 PolarHBondContact O-N 3.42Å
606	D	97.4	Very high	95.7	Very high	53 Å²	53	54.4 Å²	54.4	28%	0.283	29%	0.289	S	S	.	.	H	α-helix	trans	-76.9	-40.6	-171.8	-62.3	-0.6	0	0	0	109.2	H566 L570 F603 M609 L610	H566-D606 IonicContact CE1-OD2 3.47Å; H566-D606 PolarHBondContact CE1-OD2 3.07Å; H566-D606 WeakPolarHBondContact NE2-CB 3.29Å; H566-D606 IonicContact NE2-OD2 3.03Å; H566-D606 PolarHBondContact NE2-OD2 3.25Å; L570-D606 HydrophobicContact CD2-CB 4.46Å; F603-D606 PolarHBondContact O-N 2.66Å; D606-M609 WeakPolarHBondContact O-CB 2.91Å; D606-M609 PolarHBondContact O-N 2.91Å; D606-L610 WeakPolarHBondContact O-CG 3.49Å; D606-L610 PolarHBondContact O-N 3.33Å
607	F	97.7	Very high	95.9	Very high	1 Å²	1	57.5 Å²	57.5	0%	0.004	30%	0.3	C	S	.	.	H	α-helix	trans	-64.7	-39.8	171.8	-62.8	-43.4	0	0	0	112.9	I562 H566 L569 L590 F603 M609 L610 E611 L616 I618	I562-F607 HydrophobicContact CD1-CE2 3.94Å; I562-F607 HydrophobicContact CD1-CZ 3.69Å; I562-F607 HydrophobicContact CG1-CE2 3.67Å; I562-F607 HydrophobicContact CG1-CZ 3.6Å; H566-F607 HydrophobicContact CB-CE1 4.41Å; H566-F607 HydrophobicContact CB-CZ 4.02Å; H566-F607 AromaticContact CD2-CE1 3.91Å; H566-F607 AromaticContact CD2-CZ 3.91Å; L569-F607 HydrophobicContact CD1-CD1 4.4Å; L569-F607 HydrophobicContact CD1-CE1 3.99Å; L590-F607 HydrophobicContact CD2-CD1 4.34Å; L590-F607 HydrophobicContact CD2-CE1 4.09Å; L590-F607 HydrophobicContact CD2-CE2 4.46Å; L590-F607 HydrophobicContact CD2-CZ 4.16Å; F603-F607 HydrophobicContact CB-CD2 4.13Å; F603-F607 HydrophobicContact CB-CE2 3.73Å; F603-F607 HydrophobicContact CB-CZ 4.15Å; F603-F607 HydrophobicContact CD2-CE2 4.45Å; F603-F607 WeakPolarHBondContact O-CD2 3.1Å; F603-F607 PolarHBondContact O-N 3.08Å; F603-F607 VanDerWaalsContact O-N 3.08Å; F607-M609 VanDerWaalsContact C-N 3.31Å; F607-M609 PolarHBondContact O-N 3.19Å; F607-L610 HydrophobicContact CD1-CD1 4.35Å; F607-L610 PolarHBondContact O-N 2.93Å; F607-E611 WeakPolarHBondContact O-CB 3.31Å; F607-E611 PolarHBondContact O-N 3.5Å; F607-L616 HydrophobicContact CB-CD2 4.04Å; F607-L616 HydrophobicContact CD1-CD2 3.62Å; F607-L616 HydrophobicContact CE1-CD2 4.5Å; F607-L616 HydrophobicContact CG-CD2 4.16Å; F607-I618 HydrophobicContact CB-CD1 3.9Å; F607-I618 HydrophobicContact CD2-CD1 3.83Å; F607-I618 HydrophobicContact CG-CD1 3.91Å
608	K	97.5	Very high	96.1	Very high	124 Å²	124	56.2 Å²	56.2	54%	0.539	29%	0.29	S	S	.	.	H	α-helix	trans	-61.7	-41.1	174	-177.2	177.9	-178.7	178.9	0	111.6	A604 S605 E611 Q612	A604-K608 VanDerWaalsContact O-CB 3.22Å; A604-K608 WeakPolarHBondContact O-CB 3.48Å; A604-K608 PolarHBondContact O-N 3.26Å; S605-K608 PolarHBondContact O-N 2.83Å; K608-E611 PolarHBondContact O-N 3.46Å; K608-Q612 WeakPolarHBondContact O-CB 3.4Å; K608-Q612 VanDerWaalsContact O-CG 3.26Å; K608-Q612 WeakPolarHBondContact O-CG 3.43Å; K608-Q612 PolarHBondContact O-N 2.99Å
609	M	97.6	Very high	96.3	Very high	65 Å²	65	51.3 Å²	51.3	32%	0.32	26%	0.259	S	S	.	.	H	α-helix	trans	-60.8	-48.5	174.7	179.3	-151.8	65.5	0	0	110.8	L570 Y573 S605 D606 F607 E611 Q612 K613	L570-M609 HydrophobicContact CD2-CE 4.09Å; Y573-M609 HydrophobicContact CD1-CE 4.28Å; Y573-M609 HydrophobicContact CE1-CE 4.13Å; S605-M609 PolarHBondContact O-N 3.42Å; D606-M609 WeakPolarHBondContact O-CB 2.91Å; D606-M609 PolarHBondContact O-N 2.91Å; F607-M609 VanDerWaalsContact C-N 3.31Å; F607-M609 PolarHBondContact O-N 3.19Å; M609-E611 VanDerWaalsContact C-N 3.3Å; M609-E611 PolarHBondContact O-N 2.98Å; M609-Q612 PolarHBondContact O-N 2.79Å; M609-K613 VanDerWaalsContact O-CG 3.27Å; M609-K613 WeakPolarHBondContact O-CG 3.26Å; M609-K613 PolarHBondContact O-N 3.36Å; M609-K613 VanDerWaalsContact O-N 3.09Å
610	L	96.9	Very high	96.5	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.8	-38.2	179.5	-69.3	171.3	0	0	0	112.3	L569 L570 Y573 D606 F607 K613 G614 W615 L616	L569-L610 HydrophobicContact CB-CD1 3.83Å; L570-L610 HydrophobicContact CD2-CD1 4.21Å; L570-L610 HydrophobicContact CD2-CD2 4.47Å; L570-L610 HydrophobicContact CD2-CG 4.47Å; Y573-L610 HydrophobicContact CD1-CD2 3.93Å; Y573-L610 HydrophobicContact CD2-CD2 4.24Å; Y573-L610 HydrophobicContact CG-CD2 3.66Å; D606-L610 WeakPolarHBondContact O-CG 3.49Å; D606-L610 PolarHBondContact O-N 3.33Å; F607-L610 HydrophobicContact CD1-CD1 4.35Å; F607-L610 PolarHBondContact O-N 2.93Å; L610-K613 CarbonylContact O-C 3.58Å; L610-K613 PolarHBondContact O-N 2.96Å; L610-G614 PolarHBondContact O-N 3.01Å; L610-W615 HydrophobicContact CB-CB 4.45Å; L610-W615 HydrophobicContact CD2-CB 4.27Å; L610-W615 PolarHBondContact O-N 2.9Å; L610-L616 HydrophobicContact CB-CB 3.82Å; L610-L616 HydrophobicContact CB-CD2 4.24Å; L610-L616 HydrophobicContact CD1-CD2 4.38Å
611	E	96.3	Very high	96.5	Very high	88 Å²	88	50.2 Å²	50.2	41%	0.411	26%	0.258	S	S	.	.	H	α-helix	trans	-65.8	-44.4	175.7	-176.2	173	-112.1	0	0	112.4	F607 K608 M609 K613 G614 L616 I618	F607-E611 WeakPolarHBondContact O-CB 3.31Å; F607-E611 PolarHBondContact O-N 3.5Å; K608-E611 PolarHBondContact O-N 3.46Å; M609-E611 VanDerWaalsContact C-N 3.3Å; M609-E611 PolarHBondContact O-N 2.98Å; E611-K613 PolarHBondContact O-N 2.86Å; E611-G614 PolarHBondContact O-N 3.27Å; E611-L616 WeakPolarHBondContact CA-O 3.19Å; E611-L616 WeakPolarHBondContact CB-O 3.26Å; E611-I618 PolarHBondContact OE1-N 3.04Å
612	Q	95.7	Very high	96.4	Very high	140 Å²	140	49.6 Å²	49.6	65%	0.654	26%	0.256	S	S	*	.	H	α-helix	trans	-62.4	-24	174.3	-72.3	175.1	-9.3	0	0	113.3	K608 M609 G614	K608-Q612 WeakPolarHBondContact O-CB 3.4Å; K608-Q612 VanDerWaalsContact O-CG 3.26Å; K608-Q612 WeakPolarHBondContact O-CG 3.43Å; K608-Q612 PolarHBondContact O-N 2.99Å; M609-Q612 PolarHBondContact O-N 2.79Å; Q612-G614 VanDerWaalsContact C-N 3.33Å
613	K	92.1	Very high	96.1	Very high	121 Å²	121	49.6 Å²	49.6	53%	0.526	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	1.7	174.9	-63.5	-64.6	179.1	-174.2	0	113.3	Y573 M609 L610 E611 W615	Y573-K613 HydrophobicContact CE2-CB 4.18Å; Y573-K613 HydrophobicContact CE2-CG 4.29Å; M609-K613 VanDerWaalsContact O-CG 3.27Å; M609-K613 WeakPolarHBondContact O-CG 3.26Å; M609-K613 PolarHBondContact O-N 3.36Å; M609-K613 VanDerWaalsContact O-N 3.09Å; L610-K613 CarbonylContact O-C 3.58Å; L610-K613 PolarHBondContact O-N 2.96Å; E611-K613 PolarHBondContact O-N 2.86Å; K613-W615 PolarHBondContact O-N 2.62Å
614	G	92.7	Very high	95.7	Very high	48 Å²	48	52.9 Å²	52.9	50%	0.495	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	71	11.5	-177.8	0	0	0	0	0	114.2	L610 E611 Q612	L610-G614 PolarHBondContact O-N 3.01Å; E611-G614 PolarHBondContact O-N 3.27Å; Q612-G614 VanDerWaalsContact C-N 3.33Å
615	W	94.8	Very high	95.1	Very high	8 Å²	8	53.5 Å²	53.5	3%	0.03	27%	0.266	C	S	.	.	S	Bend	trans	-87.4	-20	-174.7	-151.1	-86.8	0	0	0	113.6	Q572 Y573 L576 K577 L580 I585 P586 N588 L610 K613	Q572-W615 HydrophobicContact CG-CZ2 4.36Å; Q572-W615 VanDerWaalsContact OE1-NE1 3.12Å; Y573-W615 HydrophobicContact CD2-CB 4.38Å; Y573-W615 AromaticContact CD2-CD2 3.69Å; Y573-W615 HydrophobicContact CD2-CD2 3.69Å; Y573-W615 AromaticContact CD2-CE3 3.67Å; Y573-W615 HydrophobicContact CD2-CE3 3.67Å; Y573-W615 HydrophobicContact CD2-CG 4Å; Y573-W615 HydrophobicContact CD2-CZ3 4.15Å; Y573-W615 HydrophobicContact CE2-CE3 4.29Å; Y573-W615 HydrophobicContact CG-CD2 4.42Å; L576-W615 HydrophobicContact CB-CH2 3.93Å; L576-W615 HydrophobicContact CB-CZ2 3.95Å; K577-W615 HydrophobicContact CB-CZ3 4.42Å; L580-W615 HydrophobicContact CD1-CH2 3.79Å; L580-W615 HydrophobicContact CD1-CZ2 4.28Å; I585-W615 HydrophobicContact CD1-CE3 4.42Å; I585-W615 HydrophobicContact CD1-CZ3 4.38Å; I585-W615 HydrophobicContact CG1-CE3 4.36Å; I585-W615 HydrophobicContact CG1-CZ3 4.05Å; I585-W615 HydrophobicContact CG2-CD2 4.19Å; I585-W615 HydrophobicContact CG2-CE3 3.8Å; I585-W615 HydrophobicContact CG2-CZ3 4.18Å; P586-W615 HydrophobicContact CG-CZ2 4.45Å; N588-W615 WeakPolarHBondContact CB-O 3.14Å; N588-W615 PolarHBondContact ND2-O 3.18Å; L610-W615 HydrophobicContact CB-CB 4.45Å; L610-W615 HydrophobicContact CD2-CB 4.27Å; L610-W615 PolarHBondContact O-N 2.9Å; K613-W615 PolarHBondContact O-N 2.62Å
616	L	97.2	Very high	94.2	Very high	8 Å²	8	54.6 Å²	54.6	4%	0.042	27%	0.266	C	S	.	.			trans	-145	140.1	-174.3	179	65.9	0	0	0	109.6	L569 N588 L590 F607 L610 E611 I618	L569-L616 HydrophobicContact CD1-CD1 3.82Å; L569-L616 HydrophobicContact CD1-CD2 4.02Å; L569-L616 HydrophobicContact CD2-CD1 4.12Å; N588-L616 HydrophobicContact CB-CD1 4.13Å; L590-L616 HydrophobicContact CB-CD1 3.73Å; L590-L616 HydrophobicContact CD2-CD2 4.45Å; F607-L616 HydrophobicContact CB-CD2 4.04Å; F607-L616 HydrophobicContact CD1-CD2 3.62Å; F607-L616 HydrophobicContact CE1-CD2 4.5Å; F607-L616 HydrophobicContact CG-CD2 4.16Å; L610-L616 HydrophobicContact CB-CB 3.82Å; L610-L616 HydrophobicContact CB-CD2 4.24Å; L610-L616 HydrophobicContact CD1-CD2 4.38Å; E611-L616 WeakPolarHBondContact CA-O 3.19Å; E611-L616 WeakPolarHBondContact CB-O 3.26Å; L616-I618 HydrophobicContact CD2-CB 4.38Å
617	R	97.7	Very high	92.8	Very high	121 Å²	121	57.8 Å²	57.8	46%	0.457	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	122.1	158.3	179.9	176.2	-176.4	166.1	1.9	108.6	N588 V589 L590 I648	N588-R617 PolarHBondContact O-N 3.45Å; V589-R617 CarbonylContact C-O 3.59Å; V589-R617 WeakPolarHBondContact CA-O 3.26Å; V589-R617 HydrophobicContact CG2-CB 4.24Å; L590-R617 PolarHBondContact N-O 3.01Å; R617-I648 VanDerWaalsContact NH1-CD1 3.28Å; R617-I648 VanDerWaalsContact NH2-CD1 3.28Å
618	I	97.5	Very high	91.1	Very high	17 Å²	17	60.2 Å²	60.2	9%	0.087	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	131.4	179.8	-170	163.8	0	0	0	110.8	L590 F592 Y601 F607 E611 L616	L590-I618 HydrophobicContact CB-CG1 4.45Å; L590-I618 HydrophobicContact CD2-CD1 3.76Å; L590-I618 HydrophobicContact CD2-CG1 4.15Å; L590-I618 HydrophobicContact CG-CD1 4.36Å; L590-I618 HydrophobicContact CG-CG1 4.24Å; L590-I618 CarbonylContact O-C 3.57Å; L590-I618 WeakPolarHBondContact O-CA 3.2Å; F592-I618 HydrophobicContact CB-CD1 4.44Å; Y601-I618 HydrophobicContact CE2-CD1 4.4Å; Y601-I618 VanDerWaalsContact OH-CD1 3.31Å; Y601-I618 WeakPolarHBondContact OH-CD1 3.26Å; F607-I618 HydrophobicContact CB-CD1 3.9Å; F607-I618 HydrophobicContact CD2-CD1 3.83Å; F607-I618 HydrophobicContact CG-CD1 3.91Å; E611-I618 PolarHBondContact OE1-N 3.04Å; L616-I618 HydrophobicContact CD2-CB 4.38Å
619	I	97.9	Very high	89.4	Confident	7 Å²	7	61.5 Å²	61.5	4%	0.036	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	98.9	177.6	-61.5	170.1	0	0	0	107.4	V589 L590 F591 F592 Q641 Y645 I648	V589-I619 HydrophobicContact CG1-CD1 4.05Å; L590-I619 PolarHBondContact O-N 3.39Å; F591-I619 WeakPolarHBondContact CA-O 3.45Å; F591-I619 HydrophobicContact CD1-CB 3.82Å; F591-I619 HydrophobicContact CD1-CD1 4.34Å; F591-I619 HydrophobicContact CD1-CG2 3.77Å; F591-I619 HydrophobicContact CE1-CB 3.88Å; F591-I619 HydrophobicContact CE1-CD1 3.59Å; F591-I619 HydrophobicContact CE1-CG1 4.33Å; F591-I619 HydrophobicContact CE1-CG2 3.69Å; F591-I619 HydrophobicContact CE2-CD1 4.02Å; F591-I619 HydrophobicContact CG-CB 4.36Å; F591-I619 HydrophobicContact CZ-CB 4.45Å; F591-I619 HydrophobicContact CZ-CD1 3.41Å; F591-I619 VanDerWaalsContact CZ-CD1 3.41Å; F591-I619 HydrophobicContact CZ-CG1 4.49Å; F592-I619 PolarHBondContact N-O 2.93Å; F592-I619 VanDerWaalsContact N-O 3.07Å; I619-Q641 HydrophobicContact CG2-CB 3.96Å; I619-Q641 HydrophobicContact CG2-CG 4.22Å; I619-Y645 HydrophobicContact CD1-CD2 3.98Å; I619-Y645 HydrophobicContact CD1-CE2 4.42Å; I619-Y645 HydrophobicContact CD1-CG 4.03Å; I619-Y645 HydrophobicContact CG2-CD2 3.81Å; I619-Y645 HydrophobicContact CG2-CE2 3.61Å; I619-I648 HydrophobicContact CD1-CD1 4.08Å
620	P	96.7	Very high	87.6	Confident	39 Å²	39	64.1 Å²	64.1	25%	0.253	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	148.3	-178	30.4	-33.8	0	0	0	112.1	F592 Y601 F622	F592-P620 CarbonylContact O-C 3.5Å; F592-P620 WeakPolarHBondContact O-CA 3.41Å; Y601-P620 HydrophobicContact CE2-CB 4.21Å; P620-F622 HydrophobicContact CB-CD1 4.5Å; P620-F622 HydrophobicContact CB-CD2 4.31Å; P620-F622 HydrophobicContact CB-CE1 3.85Å; P620-F622 HydrophobicContact CB-CE2 3.64Å; P620-F622 HydrophobicContact CB-CZ 3.38Å; P620-F622 HydrophobicContact CG-CE2 3.75Å; P620-F622 HydrophobicContact CG-CZ 3.87Å
621	A	95.6	Very high	86	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	98.1	170.6	0	0	0	0	0	109.6	F592 G593 C594 Q636 Y637 V638 Q641	F592-A621 PolarHBondContact O-N 3.24Å; G593-A621 WeakPolarHBondContact CA-O 3.29Å; C594-A621 PolarHBondContact N-O 2.63Å; C594-A621 VanDerWaalsContact N-O 3.08Å; C594-A621 VanDerWaalsContact O-O 3.09Å; A621-Q636 CarbonylContact C-O 3.55Å; A621-Y637 VanDerWaalsContact CB-C 3.44Å; A621-V638 HydrophobicContact CB-CG1 4.23Å; A621-Q641 HydrophobicContact CB-CG 3.66Å
622	F	95.2	Very high	84.4	Confident	37 Å²	37	70.7 Å²	70.7	16%	0.162	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	102.5	-178.7	-55.3	-57.4	0	0	0	110.9	C594 Y601 P620 R624 E625 Q636	C594-F622 VanDerWaalsContact SG-CD1 3.52Å; Y601-F622 AromaticContact CD2-CE1 3.76Å; Y601-F622 HydrophobicContact CD2-CE1 3.76Å; Y601-F622 HydrophobicContact CD2-CZ 4.24Å; Y601-F622 HydrophobicContact CE2-CE1 4.07Å; Y601-F622 HydrophobicContact CE2-CZ 4.2Å; Y601-F622 HydrophobicContact CG-CE1 4.08Å; Y601-F622 HydrophobicContact CG-CZ 4.42Å; P620-F622 HydrophobicContact CB-CD1 4.5Å; P620-F622 HydrophobicContact CB-CD2 4.31Å; P620-F622 HydrophobicContact CB-CE1 3.85Å; P620-F622 HydrophobicContact CB-CE2 3.64Å; P620-F622 HydrophobicContact CB-CZ 3.38Å; P620-F622 HydrophobicContact CG-CE2 3.75Å; P620-F622 HydrophobicContact CG-CZ 3.87Å; F622-R624 VanDerWaalsContact C-N 3.32Å; F622-R624 PolarHBondContact O-N 2.89Å; F622-E625 HydrophobicContact CB-CB 3.64Å; F622-E625 HydrophobicContact CG-CB 4.48Å; F622-Q636 CarbonylContact C-O 3.48Å
623	S	91.6	Very high	83.1	Confident	16 Å²	16	65.6 Å²	65.6	11%	0.112	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-14.7	-170	58.9	0	0	0	0	115.2	C594 R595 R635 Q636	C594-S623 PolarHBondContact O-N 2.78Å; C594-S623 PolarHBondContact O-OG 3.46Å; C594-S623 VanDerWaalsContact O-OG 3.05Å; R595-S623 WeakPolarHBondContact CA-OG 3.31Å; S623-R635 WeakPolarHBondContact O-CB 3.39Å; S623-R635 WeakPolarHBondContact O-CG 3.39Å; S623-Q636 WeakPolarHBondContact CA-O 3.43Å; S623-Q636 PolarHBondContact N-O 3.36Å
624	R	88.8	Confident	82.6	Confident	96 Å²	96	69.1 Å²	69.1	36%	0.362	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132	10.8	-177.4	-58.5	-169.2	179.2	-162.7	-3.4	114	R595 Y596 F622 N626	R595-R624 HydrophobicContact CB-CB 4.37Å; R595-R624 HydrophobicContact CB-CG 4.23Å; R595-R624 HydrophobicContact CG-CG 4.4Å; R595-R624 WeakPolarHBondContact O-CA 3.38Å; R595-R624 PolarHBondContact O-N 3.11Å; Y596-R624 HydrophobicContact CD1-CB 4.28Å; Y596-R624 HydrophobicContact CE1-CB 3.64Å; Y596-R624 WeakPolarHBondContact CE1-O 3.44Å; Y596-R624 HydrophobicContact CE2-CB 4.04Å; Y596-R624 VanDerWaalsContact CZ-CB 3.48Å; F622-R624 VanDerWaalsContact C-N 3.32Å; F622-R624 PolarHBondContact O-N 2.89Å; R624-N626 PolarHBondContact O-N 3.3Å
625	E	84.5	Confident	82.3	Confident	51 Å²	51	73.4 Å²	73.4	24%	0.238	38%	0.377	C	S	.	.			trans	-82	113.9	179	-163.8	75.4	-110.1	0	0	110.2	S597 F622 T627 S633	S597-E625 WeakPolarHBondContact CB-OE2 3.23Å; S597-E625 PolarHBondContact N-OE2 2.92Å; S597-E625 PolarHBondContact OG-OE2 3.1Å; F622-E625 HydrophobicContact CB-CB 3.64Å; F622-E625 HydrophobicContact CG-CB 4.48Å; E625-T627 PolarHBondContact O-N 3.17Å; E625-S633 PolarHBondContact O-OG 3.16Å
626	N	77	Confident	82.1	Confident	107 Å²	107	76.8 Å²	76.8	57%	0.572	39%	0.393	S	S	*	.			trans	-81.7	107.4	175	-74.5	-25.4	0	0	0	109.5	R624 S633	R624-N626 PolarHBondContact O-N 3.3Å; N626-S633 WeakPolarHBondContact CA-OG 3.22Å
627	T	68.1	Low	81.9	Confident	119 Å²	119	80.7 Å²	80.7	73%	0.73	41%	0.407	S	S	*	.			trans	-84.1	-14.1	176.8	45.1	0	0	0	0	113.5	E625	E625-T627 PolarHBondContact O-N 3.17Å
628	S	61.3	Low	81.8	Confident	53 Å²	53	75 Å²	75	37%	0.371	39%	0.386	S	S	.	.			trans	-126	138.5	178	178.5	0	0	0	0	110.8	V630 L631	S628-V630 VanDerWaalsContact C-N 3.29Å; S628-V630 PolarHBondContact OG-N 2.95Å; S628-L631 WeakPolarHBondContact CB-O 3.44Å; S628-L631 PolarHBondContact OG-N 3.41Å
629	T	62.6	Low	81.7	Confident	151 Å²	151	75.2 Å²	75.2	93%	0.926	39%	0.387	S	S	*	.	S	Bend	trans	-78.9	-14.7	174.1	50	0	0	0	0	112.6
630	V	60.5	Low	81.6	Confident	120 Å²	120	76.2 Å²	76.2	73%	0.727	39%	0.392	S	S	*	.	S	Bend	trans	-102.6	-33.7	-170.8	-171.9	0	0	0	0	112.2	S628	S628-V630 VanDerWaalsContact C-N 3.29Å; S628-V630 PolarHBondContact OG-N 2.95Å
631	L	62.6	Low	81.6	Confident	120 Å²	120	75 Å²	75	63%	0.628	38%	0.383	S	S	*	.	S	Bend	trans	-132.5	137.7	171	-83.7	100	0	0	0	110.2	S628 S633	S628-L631 WeakPolarHBondContact CB-O 3.44Å; S628-L631 PolarHBondContact OG-N 3.41Å; L631-S633 PolarHBondContact O-N 3.15Å
632	P	62.8	Low	81.7	Confident	106 Å²	106	75 Å²	75	69%	0.688	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-57.4	126.7	169.7	23.4	-30.3	0	0	0	108.9
633	S	69	Low	81.7	Confident	33 Å²	33	76.6 Å²	76.6	23%	0.231	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-61.3	144.9	174.3	50.9	0	0	0	0	109.2	E625 N626 L631 R635	E625-S633 PolarHBondContact O-OG 3.16Å; N626-S633 WeakPolarHBondContact CA-OG 3.22Å; L631-S633 PolarHBondContact O-N 3.15Å; S633-R635 PolarHBondContact O-N 2.91Å
634	R	80.5	Confident	81.9	Confident	194 Å²	194	80.6 Å²	80.6	73%	0.732	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-59.5	134	169.2	177	177.3	164.3	158.5	-6.4	108.3	Q636 D640	R634-Q636 PolarHBondContact O-N 3.46Å; R634-D640 IonicContact CZ-OD1 3.8Å; R634-D640 IonicContact NH2-OD1 3.71Å; R634-D640 PolarHBondContact NH2-OD1 3.39Å
635	R	87.2	Confident	82.3	Confident	139 Å²	139	80.4 Å²	80.4	53%	0.525	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-56.7	129.4	173.4	-59.8	-163.7	178.6	167.5	5	109.2	S623 S633 Y637	S623-R635 WeakPolarHBondContact O-CB 3.39Å; S623-R635 WeakPolarHBondContact O-CG 3.39Å; S633-R635 PolarHBondContact O-N 2.91Å; R635-Y637 HydrophobicContact CB-CD2 4.46Å; R635-Y637 HydrophobicContact CB-CE2 3.79Å; R635-Y637 VanDerWaalsContact CD-OH 3.22Å; R635-Y637 WeakPolarHBondContact CD-OH 3.35Å; R635-Y637 PolarHBondContact NH1-OH 3.47Å
636	Q	89.7	Confident	82.9	Confident	78 Å²	78	79 Å²	79	36%	0.364	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-103.3	119.9	177.3	-63.4	-178.2	-17.3	0	0	109.5	A621 F622 S623 R634	A621-Q636 CarbonylContact C-O 3.55Å; F622-Q636 CarbonylContact C-O 3.48Å; S623-Q636 WeakPolarHBondContact CA-O 3.43Å; S623-Q636 PolarHBondContact N-O 3.36Å; R634-Q636 PolarHBondContact O-N 3.46Å
637	Y	94	Very high	83.8	Confident	90 Å²	90	79.5 Å²	79.5	35%	0.353	40%	0.404	S	S	.	.			trans	-111.3	169.8	172.1	-57.3	-77.8	0	0	0	111.2	A621 R635 Q639 D640 Q641	A621-Y637 VanDerWaalsContact CB-C 3.44Å; R635-Y637 HydrophobicContact CB-CD2 4.46Å; R635-Y637 HydrophobicContact CB-CE2 3.79Å; R635-Y637 VanDerWaalsContact CD-OH 3.22Å; R635-Y637 WeakPolarHBondContact CD-OH 3.35Å; R635-Y637 PolarHBondContact NH1-OH 3.47Å; Y637-Q639 VanDerWaalsContact C-N 3.27Å; Y637-Q639 PolarHBondContact O-N 2.82Å; Y637-D640 PolarHBondContact N-OD2 3.21Å; Y637-D640 WeakPolarHBondContact O-CB 3.43Å; Y637-D640 PolarHBondContact O-N 3.29Å; Y637-D640 VanDerWaalsContact O-N 3.09Å; Y637-Q641 PolarHBondContact O-N 2.92Å; Y637-Q641 VanDerWaalsContact O-N 3.12Å
638	V	95.3	Very high	85.1	Confident	2 Å²	2	74.9 Å²	74.9	1%	0.012	38%	0.375	C	S	.	.	H	α-helix	trans	-61.5	-36.7	-176.3	-68.9	0	0	0	0	112.1	I556 T558 G593 A621 D640 Q641 L642 M669 V673	I556-V638 HydrophobicContact CG2-CB 3.93Å; I556-V638 HydrophobicContact CG2-CG1 4.34Å; I556-V638 HydrophobicContact CG2-CG2 3.84Å; T558-V638 HydrophobicContact CG2-CG1 3.98Å; T558-V638 HydrophobicContact CG2-CG2 4.02Å; G593-V638 VanDerWaalsContact N-CG1 3.35Å; A621-V638 HydrophobicContact CB-CG1 4.23Å; V638-D640 VanDerWaalsContact C-N 3.34Å; V638-D640 PolarHBondContact O-N 2.87Å; V638-Q641 PolarHBondContact O-N 2.72Å; V638-L642 WeakPolarHBondContact O-CG 3.31Å; V638-L642 PolarHBondContact O-N 3.1Å; V638-M669 HydrophobicContact CG2-CG 4.3Å; V638-V673 HydrophobicContact CG2-CG2 3.93Å
639	Q	95.3	Very high	86.8	Confident	22 Å²	22	72.3 Å²	72.3	10%	0.103	36%	0.357	C	S	.	.	H	α-helix	trans	-64.6	-35.2	174.7	66.5	-86.1	23.4	0	0	112.9	Y637 Q641 K643 E672 A676	Y637-Q639 VanDerWaalsContact C-N 3.27Å; Y637-Q639 PolarHBondContact O-N 2.82Å; Q639-Q641 VanDerWaalsContact C-N 3.34Å; Q639-K643 VanDerWaalsContact O-CG 3.3Å; Q639-K643 WeakPolarHBondContact O-CG 3.4Å; Q639-K643 PolarHBondContact O-N 3.12Å; Q639-K643 VanDerWaalsContact O-N 3.15Å; Q639-E672 HydrophobicContact CB-CB 4.19Å; Q639-E672 HydrophobicContact CG-CB 4.06Å; Q639-E672 PolarHBondContact NE2-OE2 2.9Å; Q639-A676 HydrophobicContact CB-CB 3.91Å
640	D	95.1	Very high	88.4	Confident	28 Å²	28	66.4 Å²	66.4	15%	0.15	32%	0.318	C	S	.	.	H	α-helix	trans	-67.4	-41.7	175.1	-60.9	-66.8	0	0	0	109.5	R634 Y637 V638 K643 N644	R634-D640 IonicContact CZ-OD1 3.8Å; R634-D640 IonicContact NH2-OD1 3.71Å; R634-D640 PolarHBondContact NH2-OD1 3.39Å; Y637-D640 PolarHBondContact N-OD2 3.21Å; Y637-D640 WeakPolarHBondContact O-CB 3.43Å; Y637-D640 PolarHBondContact O-N 3.29Å; Y637-D640 VanDerWaalsContact O-N 3.09Å; V638-D640 VanDerWaalsContact C-N 3.34Å; V638-D640 PolarHBondContact O-N 2.87Å; D640-K643 PolarHBondContact O-N 2.96Å; D640-N644 PolarHBondContact O-N 3Å; D640-N644 PolarHBondContact O-ND2 3.38Å
641	Q	96.4	Very high	89.9	Confident	12 Å²	12	64 Å²	64	6%	0.056	31%	0.307	C	S	.	.	H	α-helix	trans	-66.4	-40.7	177.7	-65.1	-58.2	-15.7	0	0	112.3	F591 I619 A621 Y637 V638 Q639 K643 N644 Y645	F591-Q641 HydrophobicContact CD1-CB 3.66Å; F591-Q641 HydrophobicContact CE1-CB 3.89Å; I619-Q641 HydrophobicContact CG2-CB 3.96Å; I619-Q641 HydrophobicContact CG2-CG 4.22Å; A621-Q641 HydrophobicContact CB-CG 3.66Å; Y637-Q641 PolarHBondContact O-N 2.92Å; Y637-Q641 VanDerWaalsContact O-N 3.12Å; V638-Q641 PolarHBondContact O-N 2.72Å; Q639-Q641 VanDerWaalsContact C-N 3.34Å; Q641-K643 VanDerWaalsContact C-N 3.25Å; Q641-K643 PolarHBondContact O-N 2.93Å; Q641-N644 PolarHBondContact O-N 3.48Å; Q641-N644 VanDerWaalsContact O-N 3.08Å; Q641-Y645 VanDerWaalsContact O-CD2 3.29Å; Q641-Y645 WeakPolarHBondContact O-CD2 3.12Å; Q641-Y645 PolarHBondContact O-N 2.65Å; Q641-Y645 VanDerWaalsContact O-N 3.13Å
642	L	97.4	Very high	91.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-56.1	-42.8	173.1	-73.8	168.6	0	0	0	111.3	I556 F591 V638 N644 Y645 V649 V673 A676 L677	I556-L642 HydrophobicContact CG1-CD1 4.36Å; I556-L642 HydrophobicContact CG1-CD2 4.36Å; F591-L642 HydrophobicContact CD1-CD2 4.13Å; F591-L642 HydrophobicContact CD1-CG 4.23Å; F591-L642 HydrophobicContact CD2-CD2 3.74Å; F591-L642 HydrophobicContact CE1-CD2 4.09Å; F591-L642 HydrophobicContact CE1-CG 4.38Å; F591-L642 HydrophobicContact CE2-CD2 3.71Å; F591-L642 HydrophobicContact CG-CD2 3.95Å; F591-L642 HydrophobicContact CG-CG 4.34Å; F591-L642 HydrophobicContact CZ-CD2 3.88Å; V638-L642 WeakPolarHBondContact O-CG 3.31Å; V638-L642 PolarHBondContact O-N 3.1Å; L642-N644 VanDerWaalsContact C-N 3.34Å; L642-N644 PolarHBondContact O-N 2.92Å; L642-Y645 CarbonylContact O-C 3.57Å; L642-Y645 PolarHBondContact O-N 3.1Å; L642-V649 HydrophobicContact CD2-CG2 3.57Å; L642-V673 HydrophobicContact CD1-CB 4.43Å; L642-V673 HydrophobicContact CD1-CG1 3.9Å; L642-V673 HydrophobicContact CD1-CG2 4.27Å; L642-A676 HydrophobicContact CB-CB 3.78Å; L642-A676 HydrophobicContact CD1-CB 3.97Å; L642-L677 HydrophobicContact CD1-CD2 4.42Å; L642-L677 HydrophobicContact CD2-CD2 4.21Å
643	K	96.4	Very high	92.9	Very high	71 Å²	71	53.5 Å²	53.5	31%	0.309	25%	0.245	S	C	.	.	H	α-helix	trans	-68.7	-28.9	176.5	-67.4	178.2	-179.9	177.7	0	113.4	Q639 D640 Q641 Y645 P646 A676 Y679	Q639-K643 VanDerWaalsContact O-CG 3.3Å; Q639-K643 WeakPolarHBondContact O-CG 3.4Å; Q639-K643 PolarHBondContact O-N 3.12Å; Q639-K643 VanDerWaalsContact O-N 3.15Å; D640-K643 PolarHBondContact O-N 2.96Å; Q641-K643 VanDerWaalsContact C-N 3.25Å; Q641-K643 PolarHBondContact O-N 2.93Å; K643-Y645 VanDerWaalsContact C-N 3.34Å; K643-P646 WeakPolarHBondContact O-CD 3.12Å; K643-A676 HydrophobicContact CG-CB 3.98Å; K643-Y679 HydrophobicContact CB-CD1 3.78Å; K643-Y679 HydrophobicContact CB-CE1 3.69Å; K643-Y679 HydrophobicContact CD-CD1 4.33Å; K643-Y679 HydrophobicContact CD-CG 4.39Å; K643-Y679 HydrophobicContact CG-CD1 3.53Å; K643-Y679 HydrophobicContact CG-CE1 3.93Å; K643-Y679 HydrophobicContact CG-CG 3.97Å; K643-Y679 WeakPolarHBondContact O-CE1 3.3Å
644	N	96.5	Very high	94	Very high	100 Å²	100	56.7 Å²	56.7	54%	0.535	26%	0.26	S	S	.	.	H	α-helix	trans	-77.5	-19.3	176.7	-68.7	-25.1	0	0	0	113.4	D640 Q641 L642 P646	D640-N644 PolarHBondContact O-N 3Å; D640-N644 PolarHBondContact O-ND2 3.38Å; Q641-N644 PolarHBondContact O-N 3.48Å; Q641-N644 VanDerWaalsContact O-N 3.08Å; L642-N644 VanDerWaalsContact C-N 3.34Å; L642-N644 PolarHBondContact O-N 2.92Å; N644-P646 WeakPolarHBondContact O-CD 3.5Å
645	Y	97	Very high	94.4	Very high	92 Å²	92	49.5 Å²	49.5	36%	0.361	24%	0.239	S	C	.	.			trans	-125.8	52.2	-176.9	-65.8	-77	0	0	0	112.7	F591 I619 Q641 L642 K643 E647 I648 V649	F591-Y645 HydrophobicContact CE1-CD2 4.22Å; I619-Y645 HydrophobicContact CD1-CD2 3.98Å; I619-Y645 HydrophobicContact CD1-CE2 4.42Å; I619-Y645 HydrophobicContact CD1-CG 4.03Å; I619-Y645 HydrophobicContact CG2-CD2 3.81Å; I619-Y645 HydrophobicContact CG2-CE2 3.61Å; Q641-Y645 VanDerWaalsContact O-CD2 3.29Å; Q641-Y645 WeakPolarHBondContact O-CD2 3.12Å; Q641-Y645 PolarHBondContact O-N 2.65Å; Q641-Y645 VanDerWaalsContact O-N 3.13Å; L642-Y645 CarbonylContact O-C 3.57Å; L642-Y645 PolarHBondContact O-N 3.1Å; K643-Y645 VanDerWaalsContact C-N 3.34Å; Y645-E647 VanDerWaalsContact C-N 3.31Å; Y645-E647 PolarHBondContact O-N 3.17Å; Y645-I648 HydrophobicContact CD1-CD1 3.58Å; Y645-I648 HydrophobicContact CE1-CD1 4.42Å; Y645-I648 HydrophobicContact CG-CD1 4.03Å; Y645-I648 PolarHBondContact O-N 3.26Å; Y645-V649 WeakPolarHBondContact O-CG2 3.17Å; Y645-V649 PolarHBondContact O-N 2.95Å
646	P	96.5	Very high	94.3	Very high	23 Å²	23	47.5 Å²	47.5	15%	0.149	24%	0.244	C	C	.	.	H	α-helix	trans	-61.8	-39.3	-172.7	27.8	-35.5	0	0	0	112.1	K643 N644 I648 V649 W650 A680 N683 A684	K643-P646 WeakPolarHBondContact O-CD 3.12Å; N644-P646 WeakPolarHBondContact O-CD 3.5Å; P646-I648 VanDerWaalsContact C-N 3.32Å; P646-I648 PolarHBondContact O-N 2.61Å; P646-V649 PolarHBondContact O-N 3.03Å; P646-W650 WeakPolarHBondContact O-CB 3.36Å; P646-W650 PolarHBondContact O-N 3.05Å; P646-A680 HydrophobicContact CB-CB 4.05Å; P646-N683 HydrophobicContact CB-CB 4.31Å; P646-A684 HydrophobicContact CB-CB 4.45Å
647	E	96.3	Very high	94.3	Very high	116 Å²	116	50.1 Å²	50.1	54%	0.542	26%	0.256	S	S	.	.	H	α-helix	trans	-62.4	-37.8	179.1	-56.7	-54.6	154.9	0	0	112.9	Y645 S651 A684	Y645-E647 VanDerWaalsContact C-N 3.31Å; Y645-E647 PolarHBondContact O-N 3.17Å; E647-S651 WeakPolarHBondContact O-CB 3.4Å; E647-S651 PolarHBondContact O-N 2.9Å; E647-A684 WeakPolarHBondContact OE2-CB 3.24Å
648	I	95.6	Very high	94.3	Very high	22 Å²	22	45.8 Å²	45.8	11%	0.113	24%	0.24	C	C	.	.	H	α-helix	trans	-68.9	-45.9	178.1	-61.2	177	0	0	0	109.6	V589 R617 I619 Y645 P646 W650 S651 I652	V589-I648 HydrophobicContact CB-CG2 4.4Å; V589-I648 HydrophobicContact CG1-CG2 3.95Å; V589-I648 HydrophobicContact CG2-CG2 3.76Å; R617-I648 VanDerWaalsContact NH1-CD1 3.28Å; R617-I648 VanDerWaalsContact NH2-CD1 3.28Å; I619-I648 HydrophobicContact CD1-CD1 4.08Å; Y645-I648 HydrophobicContact CD1-CD1 3.58Å; Y645-I648 HydrophobicContact CE1-CD1 4.42Å; Y645-I648 HydrophobicContact CG-CD1 4.03Å; Y645-I648 PolarHBondContact O-N 3.26Å; P646-I648 VanDerWaalsContact C-N 3.32Å; P646-I648 PolarHBondContact O-N 2.61Å; I648-W650 VanDerWaalsContact C-N 3.33Å; I648-W650 PolarHBondContact O-N 3.46Å; I648-S651 PolarHBondContact O-N 3.39Å; I648-S651 PolarHBondContact O-OG 3.36Å; I648-I652 PolarHBondContact O-N 3.19Å
649	V	96.5	Very high	94.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-59.2	-49.1	178	172.6	0	0	0	0	109.5	L554 F591 L642 Y645 P646 S651 I652 L653 L677 A680	L554-V649 HydrophobicContact CD2-CG1 4.04Å; F591-V649 HydrophobicContact CE2-CG2 4.09Å; F591-V649 HydrophobicContact CZ-CG2 3.94Å; L642-V649 HydrophobicContact CD2-CG2 3.57Å; Y645-V649 WeakPolarHBondContact O-CG2 3.17Å; Y645-V649 PolarHBondContact O-N 2.95Å; P646-V649 PolarHBondContact O-N 3.03Å; V649-S651 PolarHBondContact O-N 3.28Å; V649-I652 PolarHBondContact O-N 2.9Å; V649-I652 VanDerWaalsContact O-N 3.17Å; V649-L653 HydrophobicContact CG1-CD1 3.62Å; V649-L653 HydrophobicContact CG1-CG 4.13Å; V649-L653 WeakPolarHBondContact O-CG 3.38Å; V649-L653 PolarHBondContact O-N 2.98Å; V649-L677 HydrophobicContact CG1-CD2 3.78Å; V649-A680 HydrophobicContact CB-CB 3.79Å; V649-A680 HydrophobicContact CG1-CB 3.6Å; V649-A680 HydrophobicContact CG2-CB 4.36Å
650	W	95.6	Very high	94.4	Very high	26 Å²	26	45.3 Å²	45.3	10%	0.098	24%	0.237	C	C	.	.	H	α-helix	trans	-62.6	-39.1	178.6	179.7	-122.8	0	0	0	113.2	P646 I648 I652 L653 N654 I681 A684 N685 M687 L695	P646-W650 WeakPolarHBondContact O-CB 3.36Å; P646-W650 PolarHBondContact O-N 3.05Å; I648-W650 VanDerWaalsContact C-N 3.33Å; I648-W650 PolarHBondContact O-N 3.46Å; W650-I652 PolarHBondContact O-N 3.18Å; W650-I652 VanDerWaalsContact O-N 3.07Å; W650-L653 HydrophobicContact CE3-CB 4.24Å; W650-L653 PolarHBondContact O-N 2.56Å; W650-N654 HydrophobicContact CD2-CB 4.02Å; W650-N654 HydrophobicContact CE3-CB 4.3Å; W650-N654 HydrophobicContact CH2-CB 3.9Å; W650-N654 HydrophobicContact CZ2-CB 3.58Å; W650-N654 VanDerWaalsContact CZ2-CG 3.47Å; W650-N654 WeakPolarHBondContact CZ2-OD1 3.4Å; W650-N654 HydrophobicContact CZ3-CB 4.25Å; W650-N654 VanDerWaalsContact O-CB 3.29Å; W650-N654 WeakPolarHBondContact O-CB 3.49Å; W650-N654 PolarHBondContact O-N 3.1Å; W650-I681 HydrophobicContact CE3-CB 4.39Å; W650-I681 HydrophobicContact CE3-CG1 4.05Å; W650-I681 HydrophobicContact CE3-CG2 4.19Å; W650-I681 HydrophobicContact CZ3-CG1 4.2Å; W650-I681 HydrophobicContact CZ3-CG2 3.89Å; W650-A684 HydrophobicContact CB-CB 3.39Å; W650-A684 HydrophobicContact CG-CB 3.68Å; W650-N685 HydrophobicContact CD2-CB 4.02Å; W650-N685 VanDerWaalsContact CE2-CB 3.49Å; W650-N685 HydrophobicContact CH2-CB 4.18Å; W650-N685 HydrophobicContact CZ2-CB 3.6Å; W650-N685 WeakPolarHBondContact CZ2-ND2 3.3Å; W650-M687 HydrophobicContact CH2-SD 3.93Å; W650-M687 HydrophobicContact CZ3-SD 4.33Å; W650-L695 HydrophobicContact CH2-CD2 4.48Å; W650-L695 HydrophobicContact CZ3-CD2 4.01Å
651	S	92.9	Very high	94.5	Very high	71 Å²	71	44 Å²	44	50%	0.497	23%	0.23	S	C	.	.	H	α-helix	trans	-56	-29	177.1	78.5	0	0	0	0	113.1	E647 I648 V649	E647-S651 WeakPolarHBondContact O-CB 3.4Å; E647-S651 PolarHBondContact O-N 2.9Å; I648-S651 PolarHBondContact O-N 3.39Å; I648-S651 PolarHBondContact O-OG 3.36Å; V649-S651 PolarHBondContact O-N 3.28Å
652	I	94.5	Very high	94.4	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-85.7	-54.3	174	-62.5	174.2	0	0	0	110.6	L554 V589 I648 V649 W650 N654 S655 S658	L554-I652 HydrophobicContact CB-CD1 4.08Å; L554-I652 HydrophobicContact CB-CG2 3.97Å; L554-I652 HydrophobicContact CD1-CD1 4.14Å; V589-I652 HydrophobicContact CB-CD1 3.58Å; V589-I652 HydrophobicContact CG2-CD1 3.5Å; I648-I652 PolarHBondContact O-N 3.19Å; V649-I652 PolarHBondContact O-N 2.9Å; V649-I652 VanDerWaalsContact O-N 3.17Å; W650-I652 PolarHBondContact O-N 3.18Å; W650-I652 VanDerWaalsContact O-N 3.07Å; I652-N654 PolarHBondContact O-N 2.94Å; I652-S655 WeakPolarHBondContact O-CB 3.43Å; I652-S655 PolarHBondContact O-N 2.83Å; I652-S658 WeakPolarHBondContact O-CB 3.39Å; I652-S658 PolarHBondContact O-OG 3.36Å
653	L	94.1	Very high	94.2	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.021	23%	0.228	C	C	.	.	H	α-helix	trans	-60.4	-31.8	-172.7	-65.3	-178.4	0	0	0	113.6	L554 V649 W650 S655 V660 L677 I681 M699	L554-L653 HydrophobicContact CD2-CD2 4.3Å; V649-L653 HydrophobicContact CG1-CD1 3.62Å; V649-L653 HydrophobicContact CG1-CG 4.13Å; V649-L653 WeakPolarHBondContact O-CG 3.38Å; V649-L653 PolarHBondContact O-N 2.98Å; W650-L653 HydrophobicContact CE3-CB 4.24Å; W650-L653 PolarHBondContact O-N 2.56Å; L653-S655 PolarHBondContact O-N 2.95Å; L653-V660 HydrophobicContact CD2-CG2 3.47Å; L653-V660 VanDerWaalsContact CD2-CG2 3.47Å; L653-L677 HydrophobicContact CD1-CD2 4.33Å; L653-I681 HydrophobicContact CD1-CD1 3.94Å; L653-I681 HydrophobicContact CD1-CG1 3.76Å; L653-M699 HydrophobicContact CD2-CE 3.81Å; L653-M699 HydrophobicContact CD2-SD 4.11Å
654	N	90.9	Very high	93.9	Very high	100 Å²	100	40.1 Å²	40.1	54%	0.535	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-20.7	177.1	-171.5	37	0	0	0	113	W650 I652 P656	W650-N654 HydrophobicContact CD2-CB 4.02Å; W650-N654 HydrophobicContact CE3-CB 4.3Å; W650-N654 HydrophobicContact CH2-CB 3.9Å; W650-N654 HydrophobicContact CZ2-CB 3.58Å; W650-N654 VanDerWaalsContact CZ2-CG 3.47Å; W650-N654 WeakPolarHBondContact CZ2-OD1 3.4Å; W650-N654 HydrophobicContact CZ3-CB 4.25Å; W650-N654 VanDerWaalsContact O-CB 3.29Å; W650-N654 WeakPolarHBondContact O-CB 3.49Å; W650-N654 PolarHBondContact O-N 3.1Å; I652-N654 PolarHBondContact O-N 2.94Å; N654-P656 WeakPolarHBondContact O-CD 3.26Å
655	S	89.8	Confident	93.2	Very high	42 Å²	42	38.4 Å²	38.4	29%	0.294	20%	0.204	S	C	.	.	S	Bend	trans	-73.9	124.1	177.1	179.2	0	0	0	0	110.4	I652 L653 Q657 S658	I652-S655 WeakPolarHBondContact O-CB 3.43Å; I652-S655 PolarHBondContact O-N 2.83Å; L653-S655 PolarHBondContact O-N 2.95Å; S655-Q657 PolarHBondContact O-N 3.16Å; S655-Q657 VanDerWaalsContact O-N 3.08Å; S655-S658 WeakPolarHBondContact O-CB 3.32Å; S655-S658 PolarHBondContact O-N 3.31Å; S655-S658 PolarHBondContact O-OG 3.26Å
656	P	85.4	Confident	92.1	Very high	98 Å²	98	35 Å²	35	64%	0.636	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-24.4	-177	-24.7	33.6	0	0	0	114.3	N654	N654-P656 WeakPolarHBondContact O-CD 3.26Å
657	Q	88.8	Confident	91	Very high	132 Å²	132	41.6 Å²	41.6	62%	0.617	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-1	-179.4	-61.2	-59.7	-41.9	0	0	112.8	P551 S655 H659	P551-Q657 HydrophobicContact CB-CB 4.19Å; P551-Q657 WeakPolarHBondContact CB-O 3.41Å; S655-Q657 PolarHBondContact O-N 3.16Å; S655-Q657 VanDerWaalsContact O-N 3.08Å; Q657-H659 PolarHBondContact O-CE1 3.11Å; Q657-H659 PolarHBondContact O-ND1 3.35Å
658	S	94.1	Very high	90.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.215	C	C	.	.			trans	-64.7	149.7	-177.5	63.3	0	0	0	0	112.8	S552 I652 S655 R704	S552-S658 WeakPolarHBondContact O-CA 3.44Å; I652-S658 WeakPolarHBondContact O-CB 3.39Å; I652-S658 PolarHBondContact O-OG 3.36Å; S655-S658 WeakPolarHBondContact O-CB 3.32Å; S655-S658 PolarHBondContact O-N 3.31Å; S655-S658 PolarHBondContact O-OG 3.26Å; S658-R704 WeakPolarHBondContact O-CD 3.4Å
659	H	96	Very high	89.7	Confident	13 Å²	13	39.5 Å²	39.5	6%	0.06	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	146.5	176	-67.2	68	0	0	0	110.8	L545 S552 C553 L554 Q657 F661 R704	L545-H659 HydrophobicContact CD2-CB 4.02Å; S552-H659 PolarHBondContact O-N 3.16Å; S552-H659 VanDerWaalsContact O-N 3.12Å; C553-H659 CarbonylContact C-O 3.59Å; C553-H659 WeakPolarHBondContact CA-O 3.13Å; L554-H659 PolarHBondContact N-O 2.71Å; Q657-H659 PolarHBondContact O-CE1 3.11Å; Q657-H659 PolarHBondContact O-ND1 3.35Å; H659-F661 HydrophobicContact CB-CD2 4.39Å; H659-F661 HydrophobicContact CB-CE2 3.57Å; H659-F661 HydrophobicContact CB-CZ 4.1Å; H659-R704 CarbonylContact C-O 3.54Å; H659-R704 VanDerWaalsContact CA-O 3.28Å; H659-R704 WeakPolarHBondContact CA-O 3.15Å
660	V	96.6	Very high	89.2	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	129.7	177	-169.4	0	0	0	0	109.1	L554 I556 L653 I662 L677 M699 R704 I705 Q706	L554-V660 HydrophobicContact CB-CG1 4.32Å; L554-V660 HydrophobicContact CB-CG2 4.27Å; L554-V660 HydrophobicContact CD2-CG1 4.19Å; L554-V660 HydrophobicContact CD2-CG2 4.42Å; L554-V660 HydrophobicContact CG-CG1 4.34Å; L554-V660 CarbonylContact O-C 3.35Å; L554-V660 VanDerWaalsContact O-CA 3.25Å; L554-V660 WeakPolarHBondContact O-CA 3.36Å; I556-V660 HydrophobicContact CD1-CG1 3.68Å; L653-V660 HydrophobicContact CD2-CG2 3.47Å; L653-V660 VanDerWaalsContact CD2-CG2 3.47Å; V660-I662 HydrophobicContact CG1-CD1 4.37Å; V660-I662 HydrophobicContact CG1-CG1 4.17Å; V660-L677 HydrophobicContact CG1-CD1 4.48Å; V660-M699 HydrophobicContact CG2-CE 3.75Å; V660-R704 PolarHBondContact N-O 3.47Å; V660-I705 HydrophobicContact CB-CB 4.47Å; V660-I705 HydrophobicContact CB-CG1 3.96Å; V660-I705 HydrophobicContact CB-CG2 4.45Å; V660-I705 HydrophobicContact CG2-CG1 4.04Å; V660-I705 WeakPolarHBondContact O-CA 3.41Å; V660-Q706 PolarHBondContact O-N 3Å
661	F	96.3	Very high	88.8	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	126.4	176.5	-61.5	-88.1	0	0	0	109.6	F540 F542 L545 L554 L555 I556 F565 H659 Q706	F540-F661 HydrophobicContact CB-CD1 4.22Å; F540-F661 HydrophobicContact CB-CE1 4.32Å; F540-F661 AromaticContact CD1-CD1 3.52Å; F540-F661 HydrophobicContact CD1-CD1 3.52Å; F540-F661 HydrophobicContact CD1-CE1 4.22Å; F540-F661 HydrophobicContact CE1-CB 4.2Å; F540-F661 AromaticContact CE1-CD1 3.94Å; F540-F661 HydrophobicContact CE1-CD1 3.94Å; F540-F661 AromaticContact CG-CD1 3.86Å; F540-F661 HydrophobicContact CG-CD1 3.86Å; F540-F661 HydrophobicContact CG-CE1 4.44Å; F540-F661 HydrophobicContact CZ-CB 4.23Å; F542-F661 HydrophobicContact CD1-CD1 4.47Å; F542-F661 AromaticContact CD1-CE1 3.98Å; F542-F661 HydrophobicContact CD1-CE1 3.98Å; F542-F661 HydrophobicContact CD1-CE2 4.26Å; F542-F661 AromaticContact CD1-CZ 3.88Å; F542-F661 HydrophobicContact CD1-CZ 3.88Å; F542-F661 AromaticContact CE1-CD1 3.78Å; F542-F661 HydrophobicContact CE1-CD1 3.78Å; F542-F661 HydrophobicContact CE1-CD2 4.2Å; F542-F661 AromaticContact CE1-CE1 3.74Å; F542-F661 HydrophobicContact CE1-CE1 3.74Å; F542-F661 HydrophobicContact CE1-CE2 4.17Å; F542-F661 HydrophobicContact CE1-CG 4.01Å; F542-F661 AromaticContact CE1-CZ 3.97Å; F542-F661 HydrophobicContact CE1-CZ 3.97Å; L545-F661 HydrophobicContact CD1-CE2 3.49Å; L545-F661 VanDerWaalsContact CD1-CE2 3.49Å; L545-F661 HydrophobicContact CD1-CZ 3.64Å; L554-F661 PolarHBondContact O-N 3.39Å; L555-F661 HydrophobicContact CD2-CB 3.89Å; L555-F661 HydrophobicContact CD2-CD2 3.64Å; L555-F661 HydrophobicContact CD2-CG 4.14Å; I556-F661 PolarHBondContact N-O 3.01Å; F565-F661 HydrophobicContact CE1-CB 3.51Å; F565-F661 HydrophobicContact CE1-CG 4.38Å; F565-F661 HydrophobicContact CZ-CB 3.51Å; F565-F661 WeakPolarHBondContact CZ-O 3.14Å; H659-F661 HydrophobicContact CB-CD2 4.39Å; H659-F661 HydrophobicContact CB-CE2 3.57Å; H659-F661 HydrophobicContact CB-CZ 4.1Å; F661-Q706 WeakPolarHBondContact CA-O 3.29Å; F661-Q706 HydrophobicContact CD1-CB 3.87Å; F661-Q706 HydrophobicContact CE1-CB 4.04Å; F661-Q706 HydrophobicContact CE1-CG 4.19Å
662	I	95.5	Very high	88.8	Confident	3 Å²	3	40.5 Å²	40.5	2%	0.015	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	123.8	-176.7	-58.4	164.1	0	0	0	109	F540 I556 V660 M669 V673 L677 I705 Q706 I707 E708	F540-I662 WeakPolarHBondContact CZ-O 3.4Å; I556-I662 HydrophobicContact CB-CG1 4.32Å; I556-I662 HydrophobicContact CD1-CG1 3.94Å; I556-I662 CarbonylContact O-C 3.54Å; I556-I662 WeakPolarHBondContact O-CA 3.5Å; V660-I662 HydrophobicContact CG1-CD1 4.37Å; V660-I662 HydrophobicContact CG1-CG1 4.17Å; I662-M669 HydrophobicContact CG2-CE 3.9Å; I662-M669 HydrophobicContact CG2-SD 3.74Å; I662-V673 HydrophobicContact CD1-CG1 3.64Å; I662-V673 HydrophobicContact CG1-CG1 4.06Å; I662-V673 HydrophobicContact CG2-CG1 4.35Å; I662-L677 HydrophobicContact CD1-CD1 4.44Å; I662-I705 HydrophobicContact CD1-CG2 4.45Å; I662-Q706 PolarHBondContact N-O 2.92Å; I662-I707 HydrophobicContact CB-CG1 4.2Å; I662-I707 HydrophobicContact CB-CG2 4.3Å; I662-I707 HydrophobicContact CD1-CD1 4.25Å; I662-I707 HydrophobicContact CD1-CG1 4.07Å; I662-I707 HydrophobicContact CG2-CG2 4.39Å; I662-I707 WeakPolarHBondContact O-CA 3.5Å; I662-E708 PolarHBondContact O-N 3.22Å
663	V	93.4	Very high	88.9	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	123.7	-172.7	72.2	0	0	0	0	111.6	F540 I556 A557 T558 G561 P564 F565 E708 W710	F540-V663 HydrophobicContact CE2-CB 3.81Å; F540-V663 HydrophobicContact CE2-CG2 3.79Å; F540-V663 HydrophobicContact CZ-CB 3.75Å; F540-V663 HydrophobicContact CZ-CG2 4.05Å; I556-V663 PolarHBondContact O-N 2.74Å; A557-V663 CarbonylContact C-O 3.34Å; A557-V663 WeakPolarHBondContact CA-O 3.48Å; A557-V663 HydrophobicContact CB-CG1 3.44Å; A557-V663 VanDerWaalsContact CB-CG1 3.44Å; T558-V663 PolarHBondContact N-O 3.37Å; G561-V663 WeakPolarHBondContact O-CG1 3.33Å; G561-V663 WeakPolarHBondContact O-CG2 3.46Å; P564-V663 HydrophobicContact CG-CG2 4.14Å; F565-V663 HydrophobicContact CD2-CG1 3.98Å; F565-V663 HydrophobicContact CE1-CG1 4.22Å; F565-V663 HydrophobicContact CE2-CB 4.32Å; F565-V663 HydrophobicContact CE2-CG1 3.35Å; F565-V663 HydrophobicContact CZ-CB 3.98Å; F565-V663 HydrophobicContact CZ-CG1 3.47Å; F565-V663 VanDerWaalsContact CZ-CG1 3.47Å; V663-E708 VanDerWaalsContact CA-O 3.29Å; V663-E708 WeakPolarHBondContact CA-O 3.46Å; V663-E708 HydrophobicContact CG2-CB 4.35Å; V663-W710 HydrophobicContact CB-CZ3 4.43Å; V663-W710 HydrophobicContact CG2-CH2 3.69Å; V663-W710 HydrophobicContact CG2-CZ3 3.37Å
664	G	88.7	Confident	88.9	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.8	-159.3	-179.4	0	0	0	0	0	116.2	T558 Q666 M669 E708 S709 W710	T558-G664 VanDerWaalsContact OG1-CA 3.29Å; T558-G664 WeakPolarHBondContact OG1-CA 3.31Å; G664-Q666 PolarHBondContact O-N 2.98Å; G664-M669 VanDerWaalsContact CA-CE 3.44Å; G664-E708 PolarHBondContact N-O 2.84Å; G664-S709 CarbonylContact O-C 3.58Å; G664-S709 VanDerWaalsContact O-CA 3.24Å; G664-S709 WeakPolarHBondContact O-CA 3.17Å; G664-W710 VanDerWaalsContact CA-CZ2 3.47Å; G664-W710 PolarHBondContact O-N 2.65Å
665	N	82.8	Confident	89.1	Confident	63 Å²	63	43.8 Å²	43.8	34%	0.337	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	133	179.5	-170.4	-63.9	0	0	0	111.5	K667 P670 W710	N665-K667 PolarHBondContact O-N 3.21Å; N665-K667 WeakPolarHBondContact OD1-CB 3.48Å; N665-K667 WeakPolarHBondContact OD1-CG 3.37Å; N665-K667 PolarHBondContact OD1-N 3.34Å; N665-P670 WeakPolarHBondContact O-CD 3.43Å; N665-W710 CarbonylContact C-O 3.48Å; N665-W710 WeakPolarHBondContact CA-O 3.37Å
666	Q	74	Confident	89.4	Confident	22 Å²	22	41.8 Å²	41.8	10%	0.103	21%	0.209	C	C	.	.	S	Bend	trans	-73.6	-18.9	-174	-178.5	156.8	58.3	0	0	115.8	Y131 G664 S709 W710	Y131-Q666 HydrophobicContact CE1-CG 4.27Å; G664-Q666 PolarHBondContact O-N 2.98Å; Q666-S709 WeakPolarHBondContact CG-OG 3.4Å; Q666-S709 PolarHBondContact NE2-OG 3.48Å; Q666-W710 WeakPolarHBondContact CB-O 3.48Å; Q666-W710 PolarHBondContact N-O 3.36Å
667	K	73.5	Confident	90	Very high	161 Å²	161	37.3 Å²	37.3	70%	0.7	18%	0.179	S	C	*	.	S	Bend	trans	-61.1	-78.5	-170.5	-68.4	-175	177.9	-169.5	0	113.3	N665	N665-K667 PolarHBondContact O-N 3.21Å; N665-K667 WeakPolarHBondContact OD1-CB 3.48Å; N665-K667 WeakPolarHBondContact OD1-CG 3.37Å; N665-K667 PolarHBondContact OD1-N 3.34Å
668	T	78.1	Confident	90.3	Very high	80 Å²	80	31.5 Å²	31.5	49%	0.491	15%	0.153	S	C	.	.	S	Bend	trans	-113.1	-23.2	-175.8	63.7	0	0	0	0	113.5	D671 E672	T668-D671 PolarHBondContact O-N 2.85Å; T668-E672 VanDerWaalsContact CB-OE1 3.23Å; T668-E672 WeakPolarHBondContact CB-OE1 3.19Å; T668-E672 WeakPolarHBondContact O-CG 3.14Å; T668-E672 PolarHBondContact O-N 2.89Å; T668-E672 PolarHBondContact OG1-OE1 3.15Å
669	M	85.8	Confident	90.5	Very high	13 Å²	13	36.5 Å²	36.5	6%	0.064	17%	0.173	C	C	.	.	H	α-helix	trans	-56.3	-44.9	-171	-178.4	-78.6	-71.1	0	0	113.7	T558 V638 I662 G664 D671 E672 V673	T558-M669 HydrophobicContact CG2-CG 4.42Å; V638-M669 HydrophobicContact CG2-CG 4.3Å; I662-M669 HydrophobicContact CG2-CE 3.9Å; I662-M669 HydrophobicContact CG2-SD 3.74Å; G664-M669 VanDerWaalsContact CA-CE 3.44Å; M669-D671 PolarHBondContact O-N 3.1Å; M669-E672 PolarHBondContact O-N 3.34Å; M669-V673 HydrophobicContact CG-CG2 4.16Å; M669-V673 WeakPolarHBondContact O-CB 3.47Å; M669-V673 VanDerWaalsContact O-CG2 3.26Å; M669-V673 WeakPolarHBondContact O-CG2 3.44Å; M669-V673 PolarHBondContact O-N 2.98Å; M669-V673 HydrophobicContact SD-CB 4.36Å; M669-V673 HydrophobicContact SD-CG2 3.54Å; M669-V673 VanDerWaalsContact SD-CG2 3.54Å
670	P	86.4	Confident	90.5	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.013	17%	0.17	C	C	.	.	H	α-helix	trans	-66.7	-35.1	-177.1	-19.3	31.9	0	0	0	113.5	N665 R674 I707	N665-P670 WeakPolarHBondContact O-CD 3.43Å; P670-R674 PolarHBondContact O-N 2.57Å; P670-I707 HydrophobicContact CB-CG2 4.21Å; P670-I707 HydrophobicContact CG-CG2 4.45Å
671	D	88.1	Confident	90.4	Very high	56 Å²	56	35.9 Å²	35.9	30%	0.299	17%	0.17	S	C	.	.	H	α-helix	trans	-70.2	-45.9	175.4	-65.8	-39.5	0	0	0	110.8	R90 T668 M669 V673 R674 E675	R90-D671 IonicContact CZ-OD1 2.63Å; R90-D671 VanDerWaalsContact CZ-OD1 3.22Å; R90-D671 IonicContact CZ-OD2 2.68Å; R90-D671 IonicContact NH1-OD1 3.98Å; R90-D671 PolarHBondContact NH1-OD1 3.07Å; R90-D671 IonicContact NH1-OD2 3.97Å; R90-D671 IonicContact NH2-OD1 3.73Å; R90-D671 PolarHBondContact NH2-OD1 3.45Å; R90-D671 IonicContact NH2-OD2 2.73Å; R90-D671 PolarHBondContact NH2-OD2 2.78Å; T668-D671 PolarHBondContact O-N 2.85Å; M669-D671 PolarHBondContact O-N 3.1Å; D671-V673 VanDerWaalsContact C-N 3.26Å; D671-V673 PolarHBondContact O-N 3.07Å; D671-R674 WeakPolarHBondContact O-CB 3.17Å; D671-R674 PolarHBondContact O-N 2.71Å; D671-E675 WeakPolarHBondContact O-CG 3.41Å; D671-E675 PolarHBondContact O-N 2.86Å
672	E	92.8	Very high	90.3	Very high	60 Å²	60	37.9 Å²	37.9	28%	0.28	18%	0.182	S	C	.	.	H	α-helix	trans	-60.8	-36.5	176.9	-70	170.4	-178.7	0	0	112.1	Q639 T668 M669 A676	Q639-E672 HydrophobicContact CB-CB 4.19Å; Q639-E672 HydrophobicContact CG-CB 4.06Å; Q639-E672 PolarHBondContact NE2-OE2 2.9Å; T668-E672 VanDerWaalsContact CB-OE1 3.23Å; T668-E672 WeakPolarHBondContact CB-OE1 3.19Å; T668-E672 WeakPolarHBondContact O-CG 3.14Å; T668-E672 PolarHBondContact O-N 2.89Å; T668-E672 PolarHBondContact OG1-OE1 3.15Å; M669-E672 PolarHBondContact O-N 3.34Å; E672-A676 WeakPolarHBondContact O-CB 3.48Å; E672-A676 PolarHBondContact O-N 3.44Å
673	V	95	Very high	90.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-68.3	-43.6	173.3	167.5	0	0	0	0	110.5	I556 V638 L642 I662 M669 D671 E675 A676 L677	I556-V673 HydrophobicContact CG2-CG1 4.46Å; I556-V673 HydrophobicContact CG2-CG2 4.02Å; V638-V673 HydrophobicContact CG2-CG2 3.93Å; L642-V673 HydrophobicContact CD1-CB 4.43Å; L642-V673 HydrophobicContact CD1-CG1 3.9Å; L642-V673 HydrophobicContact CD1-CG2 4.27Å; I662-V673 HydrophobicContact CD1-CG1 3.64Å; I662-V673 HydrophobicContact CG1-CG1 4.06Å; I662-V673 HydrophobicContact CG2-CG1 4.35Å; M669-V673 HydrophobicContact CG-CG2 4.16Å; M669-V673 WeakPolarHBondContact O-CB 3.47Å; M669-V673 VanDerWaalsContact O-CG2 3.26Å; M669-V673 WeakPolarHBondContact O-CG2 3.44Å; M669-V673 PolarHBondContact O-N 2.98Å; M669-V673 HydrophobicContact SD-CB 4.36Å; M669-V673 HydrophobicContact SD-CG2 3.54Å; M669-V673 VanDerWaalsContact SD-CG2 3.54Å; D671-V673 VanDerWaalsContact C-N 3.26Å; D671-V673 PolarHBondContact O-N 3.07Å; V673-E675 PolarHBondContact O-N 3.4Å; V673-A676 WeakPolarHBondContact O-CB 3.5Å; V673-A676 PolarHBondContact O-N 3.05Å; V673-A676 VanDerWaalsContact O-N 3.14Å; V673-L677 HydrophobicContact CG1-CD1 4.24Å; V673-L677 HydrophobicContact CG1-CG 4.33Å; V673-L677 WeakPolarHBondContact O-CG 3.4Å; V673-L677 PolarHBondContact O-N 2.92Å
674	R	94.1	Very high	90.2	Very high	56 Å²	56	41.7 Å²	41.7	21%	0.211	20%	0.204	C	C	.	.	H	α-helix	trans	-58.6	-48.6	176.1	-172.2	-179.4	-175.7	98.2	0	111.2	P670 D671 A676 L677 V678 E693 L696 E700	P670-R674 PolarHBondContact O-N 2.57Å; D671-R674 WeakPolarHBondContact O-CB 3.17Å; D671-R674 PolarHBondContact O-N 2.71Å; R674-A676 VanDerWaalsContact C-N 3.26Å; R674-A676 PolarHBondContact O-N 3.33Å; R674-L677 WeakPolarHBondContact O-CB 3.26Å; R674-L677 PolarHBondContact O-N 2.86Å; R674-L677 VanDerWaalsContact O-N 3.12Å; R674-V678 WeakPolarHBondContact O-CG2 3.31Å; R674-V678 PolarHBondContact O-N 3.47Å; R674-E693 IonicContact CZ-OE2 3.61Å; R674-E693 IonicContact NE-OE1 3.14Å; R674-E693 IonicContact NE-OE2 3.44Å; R674-E693 PolarHBondContact NE-OE2 3.17Å; R674-E693 IonicContact NH2-OE2 3.28Å; R674-E693 PolarHBondContact NH2-OE2 3.17Å; R674-L696 HydrophobicContact CG-CD1 4.3Å; R674-E700 IonicContact CZ-OE2 3.65Å; R674-E700 IonicContact NH1-OE1 2.74Å; R674-E700 PolarHBondContact NH1-OE1 3.13Å; R674-E700 IonicContact NH1-OE2 2.77Å; R674-E700 PolarHBondContact NH1-OE2 2.98Å; R674-E700 IonicContact NH2-OE2 2.9Å
675	E	95.6	Very high	90.1	Very high	119 Å²	119	45 Å²	45	56%	0.556	22%	0.222	S	C	*	.	H	α-helix	trans	-57.9	-39.4	175.1	-71.4	-178.8	-178.5	0	0	112.2	D671 V673 V678 Y679	D671-E675 WeakPolarHBondContact O-CG 3.41Å; D671-E675 PolarHBondContact O-N 2.86Å; V673-E675 PolarHBondContact O-N 3.4Å; E675-V678 PolarHBondContact O-N 3.04Å; E675-Y679 WeakPolarHBondContact O-CB 3.44Å; E675-Y679 PolarHBondContact O-N 2.97Å
676	A	97	Very high	90.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-69.3	-34.7	177	0	0	0	0	0	113.2	Q639 L642 K643 E672 V673 R674 A680	Q639-A676 HydrophobicContact CB-CB 3.91Å; L642-A676 HydrophobicContact CB-CB 3.78Å; L642-A676 HydrophobicContact CD1-CB 3.97Å; K643-A676 HydrophobicContact CG-CB 3.98Å; E672-A676 WeakPolarHBondContact O-CB 3.48Å; E672-A676 PolarHBondContact O-N 3.44Å; V673-A676 WeakPolarHBondContact O-CB 3.5Å; V673-A676 PolarHBondContact O-N 3.05Å; V673-A676 VanDerWaalsContact O-N 3.14Å; R674-A676 VanDerWaalsContact C-N 3.26Å; R674-A676 PolarHBondContact O-N 3.33Å; A676-A680 WeakPolarHBondContact O-CB 3.49Å; A676-A680 PolarHBondContact O-N 2.66Å
677	L	96.9	Very high	90.8	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.016	25%	0.249	C	C	.	.	H	α-helix	trans	-66.4	-44.4	173.1	-66.9	175.9	0	0	0	111	L554 L642 V649 L653 V660 I662 V673 R674 Y679 A680 I681 L696	L554-L677 HydrophobicContact CD2-CD2 3.75Å; L642-L677 HydrophobicContact CD1-CD2 4.42Å; L642-L677 HydrophobicContact CD2-CD2 4.21Å; V649-L677 HydrophobicContact CG1-CD2 3.78Å; L653-L677 HydrophobicContact CD1-CD2 4.33Å; V660-L677 HydrophobicContact CG1-CD1 4.48Å; I662-L677 HydrophobicContact CD1-CD1 4.44Å; V673-L677 HydrophobicContact CG1-CD1 4.24Å; V673-L677 HydrophobicContact CG1-CG 4.33Å; V673-L677 WeakPolarHBondContact O-CG 3.4Å; V673-L677 PolarHBondContact O-N 2.92Å; R674-L677 WeakPolarHBondContact O-CB 3.26Å; R674-L677 PolarHBondContact O-N 2.86Å; R674-L677 VanDerWaalsContact O-N 3.12Å; L677-Y679 VanDerWaalsContact C-N 3.35Å; L677-Y679 PolarHBondContact O-N 3.41Å; L677-A680 PolarHBondContact O-N 2.89Å; L677-I681 WeakPolarHBondContact O-CG1 3.29Å; L677-I681 PolarHBondContact O-N 3.38Å; L677-L696 HydrophobicContact CB-CD1 3.94Å; L677-L696 HydrophobicContact CB-CD2 4.35Å; L677-L696 HydrophobicContact CD1-CD2 4.4Å
678	V	96.5	Very high	91.7	Very high	11 Å²	11	47.7 Å²	47.7	7%	0.067	24%	0.238	C	C	.	.	H	α-helix	trans	-57.7	-49.2	174	172.2	0	0	0	0	110.5	R674 E675 A680 I681 V682 A692 E693 L696	R674-V678 WeakPolarHBondContact O-CG2 3.31Å; R674-V678 PolarHBondContact O-N 3.47Å; E675-V678 PolarHBondContact O-N 3.04Å; V678-A680 VanDerWaalsContact C-N 3.28Å; V678-A680 PolarHBondContact O-N 3.33Å; V678-I681 PolarHBondContact O-N 2.87Å; V678-V682 HydrophobicContact CG1-CG2 4.28Å; V678-V682 VanDerWaalsContact O-CG2 3.31Å; V678-V682 WeakPolarHBondContact O-CG2 3.45Å; V678-V682 PolarHBondContact O-N 3.04Å; V678-A692 HydrophobicContact CG1-CB 4.07Å; V678-E693 HydrophobicContact CG2-CG 3.95Å; V678-E693 WeakPolarHBondContact CG2-OE1 3.44Å; V678-L696 HydrophobicContact CG2-CD1 3.64Å
679	Y	96.9	Very high	92.4	Very high	105 Å²	105	47.3 Å²	47.3	41%	0.412	24%	0.239	S	C	.	.	H	α-helix	trans	-55.9	-43.2	176.6	177.1	-88.4	0	0	0	112.4	K643 E675 L677 V682 N683	K643-Y679 HydrophobicContact CB-CD1 3.78Å; K643-Y679 HydrophobicContact CB-CE1 3.69Å; K643-Y679 HydrophobicContact CD-CD1 4.33Å; K643-Y679 HydrophobicContact CD-CG 4.39Å; K643-Y679 HydrophobicContact CG-CD1 3.53Å; K643-Y679 HydrophobicContact CG-CE1 3.93Å; K643-Y679 HydrophobicContact CG-CG 3.97Å; K643-Y679 WeakPolarHBondContact O-CE1 3.3Å; E675-Y679 WeakPolarHBondContact O-CB 3.44Å; E675-Y679 PolarHBondContact O-N 2.97Å; L677-Y679 VanDerWaalsContact C-N 3.35Å; L677-Y679 PolarHBondContact O-N 3.41Å; Y679-V682 PolarHBondContact O-N 3.32Å; Y679-N683 WeakPolarHBondContact CE1-ND2 3.5Å; Y679-N683 WeakPolarHBondContact CE2-ND2 3.38Å; Y679-N683 WeakPolarHBondContact O-CB 3.32Å; Y679-N683 PolarHBondContact O-N 2.99Å; Y679-N683 PolarHBondContact OH-ND2 3.44Å; Y679-N683 VanDerWaalsContact OH-ND2 3.14Å
680	A	95.6	Very high	92.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64	-42.5	178.8	0	0	0	0	0	112.5	P646 V649 A676 L677 V678 A684	P646-A680 HydrophobicContact CB-CB 4.05Å; V649-A680 HydrophobicContact CB-CB 3.79Å; V649-A680 HydrophobicContact CG1-CB 3.6Å; V649-A680 HydrophobicContact CG2-CB 4.36Å; A676-A680 WeakPolarHBondContact O-CB 3.49Å; A676-A680 PolarHBondContact O-N 2.66Å; L677-A680 PolarHBondContact O-N 2.89Å; V678-A680 VanDerWaalsContact C-N 3.28Å; V678-A680 PolarHBondContact O-N 3.33Å; A680-A684 VanDerWaalsContact O-CB 3.25Å; A680-A684 WeakPolarHBondContact O-CB 3.14Å; A680-A684 PolarHBondContact O-N 3.15Å
681	I	94.6	Very high	93.1	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.6	-48.4	176.8	-64.5	161.5	0	0	0	110.7	W650 L653 L677 V678 N683 N685 M687 A692 L695 L696	W650-I681 HydrophobicContact CE3-CB 4.39Å; W650-I681 HydrophobicContact CE3-CG1 4.05Å; W650-I681 HydrophobicContact CE3-CG2 4.19Å; W650-I681 HydrophobicContact CZ3-CG1 4.2Å; W650-I681 HydrophobicContact CZ3-CG2 3.89Å; L653-I681 HydrophobicContact CD1-CD1 3.94Å; L653-I681 HydrophobicContact CD1-CG1 3.76Å; L677-I681 WeakPolarHBondContact O-CG1 3.29Å; L677-I681 PolarHBondContact O-N 3.38Å; V678-I681 PolarHBondContact O-N 2.87Å; I681-N683 VanDerWaalsContact C-N 3.34Å; I681-N683 PolarHBondContact O-N 3.43Å; I681-N685 PolarHBondContact O-N 3.44Å; I681-M687 HydrophobicContact CG2-CB 4.14Å; I681-M687 HydrophobicContact CG2-CE 4.49Å; I681-M687 HydrophobicContact CG2-CG 4.39Å; I681-M687 HydrophobicContact CG2-SD 3.69Å; I681-A692 HydrophobicContact CB-CB 3.99Å; I681-A692 HydrophobicContact CD1-CB 4.13Å; I681-A692 HydrophobicContact CG2-CB 3.72Å; I681-L695 HydrophobicContact CD1-CD2 4.33Å; I681-L696 HydrophobicContact CD1-CD1 4.27Å; I681-L696 HydrophobicContact CD1-CD2 3.97Å; I681-L696 HydrophobicContact CD1-CG 3.96Å
682	V	95.7	Very high	93.4	Very high	42 Å²	42	50.7 Å²	50.7	26%	0.255	26%	0.263	S	S	.	.	H	α-helix	trans	-60.4	-43.9	-178.5	170.8	0	0	0	0	111.1	V678 Y679 H686 M687 A692	V678-V682 HydrophobicContact CG1-CG2 4.28Å; V678-V682 VanDerWaalsContact O-CG2 3.31Å; V678-V682 WeakPolarHBondContact O-CG2 3.45Å; V678-V682 PolarHBondContact O-N 3.04Å; Y679-V682 PolarHBondContact O-N 3.32Å; V682-H686 WeakPolarHBondContact O-CA 3.16Å; V682-H686 PolarHBondContact O-N 2.9Å; V682-M687 WeakPolarHBondContact CA-O 3.43Å; V682-M687 WeakPolarHBondContact CG2-O 3.42Å; V682-A692 HydrophobicContact CG2-CB 4.29Å
683	N	94	Very high	93.5	Very high	65 Å²	65	51.1 Å²	51.1	35%	0.348	27%	0.265	S	S	.	.	H	α-helix	trans	-77.6	-36.5	-176.3	-77.3	-18.7	0	0	0	114.3	P646 Y679 I681	P646-N683 HydrophobicContact CB-CB 4.31Å; Y679-N683 WeakPolarHBondContact CE1-ND2 3.5Å; Y679-N683 WeakPolarHBondContact CE2-ND2 3.38Å; Y679-N683 WeakPolarHBondContact O-CB 3.32Å; Y679-N683 PolarHBondContact O-N 2.99Å; Y679-N683 PolarHBondContact OH-ND2 3.44Å; Y679-N683 VanDerWaalsContact OH-ND2 3.14Å; I681-N683 VanDerWaalsContact C-N 3.34Å; I681-N683 PolarHBondContact O-N 3.43Å
684	A	91.5	Very high	93.4	Very high	17 Å²	17	56.4 Å²	56.4	14%	0.14	29%	0.291	C	S	.	.	H	α-helix	trans	-83.3	-26.5	-176.6	0	0	0	0	0	113.3	P646 E647 W650 A680	P646-A684 HydrophobicContact CB-CB 4.45Å; E647-A684 WeakPolarHBondContact OE2-CB 3.24Å; W650-A684 HydrophobicContact CB-CB 3.39Å; W650-A684 HydrophobicContact CG-CB 3.68Å; A680-A684 VanDerWaalsContact O-CB 3.25Å; A680-A684 WeakPolarHBondContact O-CB 3.14Å; A680-A684 PolarHBondContact O-N 3.15Å
685	N	88.3	Confident	93.4	Very high	70 Å²	70	55.5 Å²	55.5	37%	0.374	29%	0.29	S	S	.	.	H	α-helix	trans	-122.2	-1.3	-176.1	-161.5	40.7	0	0	0	114.8	W650 I681 M687	W650-N685 HydrophobicContact CD2-CB 4.02Å; W650-N685 VanDerWaalsContact CE2-CB 3.49Å; W650-N685 HydrophobicContact CH2-CB 4.18Å; W650-N685 HydrophobicContact CZ2-CB 3.6Å; W650-N685 WeakPolarHBondContact CZ2-ND2 3.3Å; I681-N685 PolarHBondContact O-N 3.44Å; N685-M687 HydrophobicContact CB-CG 4.16Å; N685-M687 HydrophobicContact CB-SD 4.48Å; N685-M687 VanDerWaalsContact ND2-CG 3.29Å; N685-M687 WeakPolarHBondContact ND2-CG 3.5Å; N685-M687 PolarHBondContact ND2-SD 3.4Å; N685-M687 PolarHBondContact O-N 3.29Å
686	H	81.9	Confident	93.3	Very high	171 Å²	171	49.9 Å²	49.9	79%	0.792	26%	0.264	S	S	*	.			trans	56.4	20.7	-175.4	-52.8	-57.6	0	0	0	114.8	V682	V682-H686 WeakPolarHBondContact O-CA 3.16Å; V682-H686 PolarHBondContact O-N 2.9Å
687	M	88.7	Confident	93.1	Very high	44 Å²	44	50.9 Å²	50.9	22%	0.217	28%	0.275	C	S	.	.			trans	-65.7	150	168.3	-68	177.6	66.5	0	0	109.3	W650 I681 V682 N685 D691	W650-M687 HydrophobicContact CH2-SD 3.93Å; W650-M687 HydrophobicContact CZ3-SD 4.33Å; I681-M687 HydrophobicContact CG2-CB 4.14Å; I681-M687 HydrophobicContact CG2-CE 4.49Å; I681-M687 HydrophobicContact CG2-CG 4.39Å; I681-M687 HydrophobicContact CG2-SD 3.69Å; V682-M687 WeakPolarHBondContact CA-O 3.43Å; V682-M687 WeakPolarHBondContact CG2-O 3.42Å; N685-M687 HydrophobicContact CB-CG 4.16Å; N685-M687 HydrophobicContact CB-SD 4.48Å; N685-M687 VanDerWaalsContact ND2-CG 3.29Å; N685-M687 WeakPolarHBondContact ND2-CG 3.5Å; N685-M687 PolarHBondContact ND2-SD 3.4Å; N685-M687 PolarHBondContact O-N 3.29Å; M687-D691 HydrophobicContact CE-CB 3.71Å
688	D	93.3	Very high	92.8	Very high	87 Å²	87	55.7 Å²	55.7	47%	0.465	30%	0.297	S	S	.	.			trans	-73.7	165.5	170.2	76.6	35.4	0	0	0	111.5	S690 D691 A692	D688-S690 PolarHBondContact O-N 2.93Å; D688-S690 WeakPolarHBondContact OD1-CA 3.28Å; D688-S690 WeakPolarHBondContact OD1-CB 3.2Å; D688-S690 PolarHBondContact OD1-N 3.3Å; D688-D691 WeakPolarHBondContact OD1-CB 3.48Å; D688-D691 PolarHBondContact OD1-N 3.35Å; D688-A692 WeakPolarHBondContact O-CB 3.11Å; D688-A692 PolarHBondContact O-N 2.9Å; D688-A692 VanDerWaalsContact O-N 3.07Å
689	S	92.3	Very high	92.7	Very high	72 Å²	72	55.2 Å²	55.2	50%	0.503	29%	0.294	S	S	.	.	H	α-helix	trans	-66.9	-26	-177.2	-171.1	0	0	0	0	113.2	E693	S689-E693 WeakPolarHBondContact O-CB 3.44Å; S689-E693 WeakPolarHBondContact O-CG 3.48Å; S689-E693 PolarHBondContact O-N 3.25Å; S689-E693 VanDerWaalsContact O-N 3.15Å
690	S	93.1	Very high	92.4	Very high	75 Å²	75	53.4 Å²	53.4	52%	0.524	29%	0.289	S	S	.	.	H	α-helix	trans	-74.7	-46	-179.5	-179.7	0	0	0	0	110.2	D688 A692 E693 M694	D688-S690 PolarHBondContact O-N 2.93Å; D688-S690 WeakPolarHBondContact OD1-CA 3.28Å; D688-S690 WeakPolarHBondContact OD1-CB 3.2Å; D688-S690 PolarHBondContact OD1-N 3.3Å; S690-A692 VanDerWaalsContact C-N 3.34Å; S690-A692 PolarHBondContact O-N 3.27Å; S690-E693 PolarHBondContact O-N 2.98Å; S690-M694 WeakPolarHBondContact O-CG 3.43Å; S690-M694 PolarHBondContact O-N 3.38Å
691	D	94	Very high	91.9	Very high	68 Å²	68	58.5 Å²	58.5	36%	0.364	32%	0.321	S	S	.	.	H	α-helix	trans	-64.5	-38.6	176.1	-73	-15.7	0	0	0	111.6	M687 D688 M694 L695	M687-D691 HydrophobicContact CE-CB 3.71Å; D688-D691 WeakPolarHBondContact OD1-CB 3.48Å; D688-D691 PolarHBondContact OD1-N 3.35Å; D691-M694 HydrophobicContact CB-CE 4.43Å; D691-M694 PolarHBondContact O-N 3.48Å; D691-M694 WeakPolarHBondContact OD1-CE 3.34Å; D691-L695 WeakPolarHBondContact O-CB 3.4Å; D691-L695 PolarHBondContact O-N 2.94Å
692	A	94.2	Very high	91.7	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-61.8	-43.6	173.5	0	0	0	0	0	112.1	V678 I681 V682 D688 S690 L695 L696	V678-A692 HydrophobicContact CG1-CB 4.07Å; I681-A692 HydrophobicContact CB-CB 3.99Å; I681-A692 HydrophobicContact CD1-CB 4.13Å; I681-A692 HydrophobicContact CG2-CB 3.72Å; V682-A692 HydrophobicContact CG2-CB 4.29Å; D688-A692 WeakPolarHBondContact O-CB 3.11Å; D688-A692 PolarHBondContact O-N 2.9Å; D688-A692 VanDerWaalsContact O-N 3.07Å; S690-A692 VanDerWaalsContact C-N 3.34Å; S690-A692 PolarHBondContact O-N 3.27Å; A692-L695 PolarHBondContact O-N 2.69Å; A692-L696 WeakPolarHBondContact O-CG 3.4Å; A692-L696 PolarHBondContact O-N 2.89Å
693	E	94.2	Very high	91.3	Very high	68 Å²	68	65 Å²	65	32%	0.318	35%	0.351	S	S	.	.	H	α-helix	trans	-65.7	-40.8	175.6	-80.8	-70.2	-176.6	0	0	112.5	R674 V678 S689 S690 L695 L696 G697	R674-E693 IonicContact CZ-OE2 3.61Å; R674-E693 IonicContact NE-OE1 3.14Å; R674-E693 IonicContact NE-OE2 3.44Å; R674-E693 PolarHBondContact NE-OE2 3.17Å; R674-E693 IonicContact NH2-OE2 3.28Å; R674-E693 PolarHBondContact NH2-OE2 3.17Å; V678-E693 HydrophobicContact CG2-CG 3.95Å; V678-E693 WeakPolarHBondContact CG2-OE1 3.44Å; S689-E693 WeakPolarHBondContact O-CB 3.44Å; S689-E693 WeakPolarHBondContact O-CG 3.48Å; S689-E693 PolarHBondContact O-N 3.25Å; S689-E693 VanDerWaalsContact O-N 3.15Å; S690-E693 PolarHBondContact O-N 2.98Å; E693-L695 VanDerWaalsContact C-N 3.34Å; E693-L695 PolarHBondContact O-N 2.98Å; E693-L696 PolarHBondContact O-N 3.4Å; E693-G697 PolarHBondContact O-N 2.94Å
694	M	93.5	Very high	91.3	Very high	112 Å²	112	63 Å²	63	55%	0.552	34%	0.339	S	S	*	.	H	α-helix	trans	-61.7	-42.2	174.2	-74.7	-165.8	-60.9	0	0	111.8	S690 D691 G697 Q698	S690-M694 WeakPolarHBondContact O-CG 3.43Å; S690-M694 PolarHBondContact O-N 3.38Å; D691-M694 HydrophobicContact CB-CE 4.43Å; D691-M694 PolarHBondContact O-N 3.48Å; D691-M694 WeakPolarHBondContact OD1-CE 3.34Å; M694-G697 PolarHBondContact O-N 2.92Å; M694-Q698 WeakPolarHBondContact O-CB 3.39Å; M694-Q698 PolarHBondContact O-N 3.43Å
695	L	93.1	Very high	91.4	Very high	36 Å²	36	62.9 Å²	62.9	19%	0.188	34%	0.335	C	S	.	.	H	α-helix	trans	-59.3	-52.6	175.7	176.2	62.9	0	0	0	110.6	W650 I681 D691 A692 E693 G697 Q698 M699	W650-L695 HydrophobicContact CH2-CD2 4.48Å; W650-L695 HydrophobicContact CZ3-CD2 4.01Å; I681-L695 HydrophobicContact CD1-CD2 4.33Å; D691-L695 WeakPolarHBondContact O-CB 3.4Å; D691-L695 PolarHBondContact O-N 2.94Å; A692-L695 PolarHBondContact O-N 2.69Å; E693-L695 VanDerWaalsContact C-N 3.34Å; E693-L695 PolarHBondContact O-N 2.98Å; L695-G697 VanDerWaalsContact C-N 3.32Å; L695-G697 PolarHBondContact O-N 3.39Å; L695-Q698 WeakPolarHBondContact O-CB 3.4Å; L695-Q698 PolarHBondContact O-N 2.78Å; L695-Q698 VanDerWaalsContact O-N 3.13Å; L695-M699 HydrophobicContact CD1-CG 4.47Å; L695-M699 HydrophobicContact CG-SD 4.48Å; L695-M699 VanDerWaalsContact O-CG 3.28Å; L695-M699 WeakPolarHBondContact O-CG 3.32Å; L695-M699 PolarHBondContact O-N 2.94Å
696	L	94	Very high	91.6	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-60.2	-42.1	178.8	-66.3	178.4	0	0	0	111.7	R674 L677 V678 I681 A692 E693 Q698 M699 E700 I705	R674-L696 HydrophobicContact CG-CD1 4.3Å; L677-L696 HydrophobicContact CB-CD1 3.94Å; L677-L696 HydrophobicContact CB-CD2 4.35Å; L677-L696 HydrophobicContact CD1-CD2 4.4Å; V678-L696 HydrophobicContact CG2-CD1 3.64Å; I681-L696 HydrophobicContact CD1-CD1 4.27Å; I681-L696 HydrophobicContact CD1-CD2 3.97Å; I681-L696 HydrophobicContact CD1-CG 3.96Å; A692-L696 WeakPolarHBondContact O-CG 3.4Å; A692-L696 PolarHBondContact O-N 2.89Å; E693-L696 PolarHBondContact O-N 3.4Å; L696-Q698 VanDerWaalsContact C-N 3.32Å; L696-Q698 PolarHBondContact O-N 3.41Å; L696-M699 HydrophobicContact CD2-SD 4.19Å; L696-M699 WeakPolarHBondContact O-CB 3.47Å; L696-M699 PolarHBondContact O-N 3.19Å; L696-E700 WeakPolarHBondContact O-CG 3.45Å; L696-E700 PolarHBondContact O-N 3.41Å; L696-I705 HydrophobicContact CB-CD1 4.23Å; L696-I705 HydrophobicContact CD2-CD1 3.67Å
697	G	92.1	Very high	91.9	Very high	22 Å²	22	55 Å²	55	23%	0.227	30%	0.298	C	S	.	.	H	α-helix	trans	-62.9	-35.7	175.2	0	0	0	0	0	113.3	E693 M694 L695 T701	E693-G697 PolarHBondContact O-N 2.94Å; M694-G697 PolarHBondContact O-N 2.92Å; L695-G697 VanDerWaalsContact C-N 3.32Å; L695-G697 PolarHBondContact O-N 3.39Å; G697-T701 WeakPolarHBondContact O-CB 3.49Å; G697-T701 PolarHBondContact O-N 2.81Å; G697-T701 PolarHBondContact O-OG1 3.27Å
698	Q	92.4	Very high	91.8	Very high	104 Å²	104	53.7 Å²	53.7	49%	0.486	29%	0.291	S	S	.	.	H	α-helix	trans	-66.5	-45.1	171.9	-177.6	178.9	-4.9	0	0	111	M694 L695 L696 E700 T701 E702	M694-Q698 WeakPolarHBondContact O-CB 3.39Å; M694-Q698 PolarHBondContact O-N 3.43Å; L695-Q698 WeakPolarHBondContact O-CB 3.4Å; L695-Q698 PolarHBondContact O-N 2.78Å; L695-Q698 VanDerWaalsContact O-N 3.13Å; L696-Q698 VanDerWaalsContact C-N 3.32Å; L696-Q698 PolarHBondContact O-N 3.41Å; Q698-E700 VanDerWaalsContact C-N 3.32Å; Q698-E700 PolarHBondContact O-N 2.87Å; Q698-T701 WeakPolarHBondContact O-CB 3.47Å; Q698-T701 PolarHBondContact O-N 2.89Å; Q698-T701 VanDerWaalsContact O-N 3.15Å; Q698-E702 WeakPolarHBondContact CG-OE1 3.37Å; Q698-E702 PolarHBondContact NE2-OE1 2.88Å; Q698-E702 WeakPolarHBondContact O-CG 3.32Å; Q698-E702 PolarHBondContact O-N 3.19Å
699	M	93.9	Very high	90.9	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-59.7	-40.9	176.8	-60.2	-177.1	60.2	0	0	112	L653 V660 L695 L696 E702 N703 R704 I705	L653-M699 HydrophobicContact CD2-CE 3.81Å; L653-M699 HydrophobicContact CD2-SD 4.11Å; V660-M699 HydrophobicContact CG2-CE 3.75Å; L695-M699 HydrophobicContact CD1-CG 4.47Å; L695-M699 HydrophobicContact CG-SD 4.48Å; L695-M699 VanDerWaalsContact O-CG 3.28Å; L695-M699 WeakPolarHBondContact O-CG 3.32Å; L695-M699 PolarHBondContact O-N 2.94Å; L696-M699 HydrophobicContact CD2-SD 4.19Å; L696-M699 WeakPolarHBondContact O-CB 3.47Å; L696-M699 PolarHBondContact O-N 3.19Å; M699-E702 PolarHBondContact O-N 3.49Å; M699-N703 PolarHBondContact O-N 2.67Å; M699-R704 HydrophobicContact CB-CB 4.23Å; M699-R704 HydrophobicContact CE-CB 4.46Å; M699-R704 WeakPolarHBondContact O-CA 3.5Å; M699-R704 WeakPolarHBondContact O-CB 3.41Å; M699-R704 PolarHBondContact O-N 3.48Å; M699-I705 HydrophobicContact CB-CD1 3.71Å; M699-I705 HydrophobicContact CB-CG1 3.6Å; M699-I705 HydrophobicContact CE-CD1 4.24Å; M699-I705 HydrophobicContact CE-CG1 3.95Å; M699-I705 HydrophobicContact CG-CD1 4.42Å; M699-I705 PolarHBondContact O-N 3.37Å; M699-I705 HydrophobicContact SD-CD1 4.1Å; M699-I705 HydrophobicContact SD-CG1 4.39Å
700	E	89.6	Confident	89.8	Confident	68 Å²	68	50.7 Å²	50.7	32%	0.318	27%	0.266	S	S	.	.	H	α-helix	trans	-61.9	-45.3	173.7	-75.2	174.8	153	0	0	111.6	R674 L696 Q698 E702 N703 I705	R674-E700 IonicContact CZ-OE2 3.65Å; R674-E700 IonicContact NH1-OE1 2.74Å; R674-E700 PolarHBondContact NH1-OE1 3.13Å; R674-E700 IonicContact NH1-OE2 2.77Å; R674-E700 PolarHBondContact NH1-OE2 2.98Å; R674-E700 IonicContact NH2-OE2 2.9Å; L696-E700 WeakPolarHBondContact O-CG 3.45Å; L696-E700 PolarHBondContact O-N 3.41Å; Q698-E700 VanDerWaalsContact C-N 3.32Å; Q698-E700 PolarHBondContact O-N 2.87Å; E700-E702 PolarHBondContact O-N 3.07Å; E700-N703 PolarHBondContact O-N 2.64Å; E700-I705 HydrophobicContact CG-CB 3.71Å; E700-I705 HydrophobicContact CG-CD1 4.23Å; E700-I705 HydrophobicContact CG-CG1 4.39Å; E700-I705 HydrophobicContact CG-CG2 4.01Å
701	T	86.3	Confident	87.9	Confident	107 Å²	107	52.3 Å²	52.3	66%	0.656	27%	0.273	S	S	*	.	H	α-helix	trans	-61.5	-33.4	178.2	-56.6	0	0	0	0	111.9	G697 Q698 N703	G697-T701 WeakPolarHBondContact O-CB 3.49Å; G697-T701 PolarHBondContact O-N 2.81Å; G697-T701 PolarHBondContact O-OG1 3.27Å; Q698-T701 WeakPolarHBondContact O-CB 3.47Å; Q698-T701 PolarHBondContact O-N 2.89Å; Q698-T701 VanDerWaalsContact O-N 3.15Å; T701-N703 VanDerWaalsContact C-N 3.28Å; T701-N703 PolarHBondContact O-N 3.27Å
702	E	89.5	Confident	87.6	Confident	80 Å²	80	51.6 Å²	51.6	37%	0.374	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-0.4	176.5	-68.4	170.1	-176.4	0	0	113.5	Q698 M699 E700 R704	Q698-E702 WeakPolarHBondContact CG-OE1 3.37Å; Q698-E702 PolarHBondContact NE2-OE1 2.88Å; Q698-E702 WeakPolarHBondContact O-CG 3.32Å; Q698-E702 PolarHBondContact O-N 3.19Å; M699-E702 PolarHBondContact O-N 3.49Å; E700-E702 PolarHBondContact O-N 3.07Å; E702-R704 HydrophobicContact CB-CG 4.2Å; E702-R704 PolarHBondContact O-N 3.06Å; E702-R704 IonicContact OE2-CZ 3.73Å; E702-R704 IonicContact OE2-NE 2.91Å; E702-R704 PolarHBondContact OE2-NE 3Å; E702-R704 IonicContact OE2-NH2 2.74Å; E702-R704 PolarHBondContact OE2-NH2 2.71Å
703	N	88.4	Confident	87.2	Confident	97 Å²	97	54.3 Å²	54.3	52%	0.519	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	24.4	-171.9	-54.8	-89.9	0	0	0	114.2	M699 E700 T701 Q706	M699-N703 PolarHBondContact O-N 2.67Å; E700-N703 PolarHBondContact O-N 2.64Å; T701-N703 VanDerWaalsContact C-N 3.28Å; T701-N703 PolarHBondContact O-N 3.27Å; N703-Q706 PolarHBondContact O-NE2 3.15Å; N703-Q706 VanDerWaalsContact O-NE2 3.09Å
704	R	93.2	Very high	86.9	Confident	25 Å²	25	53.5 Å²	53.5	9%	0.094	28%	0.281	C	S	.	.			trans	-82.4	-24.9	173.4	-68.4	-170.1	-64.4	117.1	-7.6	112.2	S658 H659 V660 M699 E702	S658-R704 WeakPolarHBondContact O-CD 3.4Å; H659-R704 CarbonylContact C-O 3.54Å; H659-R704 VanDerWaalsContact CA-O 3.28Å; H659-R704 WeakPolarHBondContact CA-O 3.15Å; V660-R704 PolarHBondContact N-O 3.47Å; M699-R704 HydrophobicContact CB-CB 4.23Å; M699-R704 HydrophobicContact CE-CB 4.46Å; M699-R704 WeakPolarHBondContact O-CA 3.5Å; M699-R704 WeakPolarHBondContact O-CB 3.41Å; M699-R704 PolarHBondContact O-N 3.48Å; E702-R704 HydrophobicContact CB-CG 4.2Å; E702-R704 PolarHBondContact O-N 3.06Å; E702-R704 IonicContact OE2-CZ 3.73Å; E702-R704 IonicContact OE2-NE 2.91Å; E702-R704 PolarHBondContact OE2-NE 3Å; E702-R704 IonicContact OE2-NH2 2.74Å; E702-R704 PolarHBondContact OE2-NH2 2.71Å
705	I	93.2	Very high	86.5	Confident	13 Å²	13	50.1 Å²	50.1	7%	0.067	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	126	166.3	-57.8	-176.9	0	0	0	108.5	V660 I662 L696 M699 E700 I707	V660-I705 HydrophobicContact CB-CB 4.47Å; V660-I705 HydrophobicContact CB-CG1 3.96Å; V660-I705 HydrophobicContact CB-CG2 4.45Å; V660-I705 HydrophobicContact CG2-CG1 4.04Å; V660-I705 WeakPolarHBondContact O-CA 3.41Å; I662-I705 HydrophobicContact CD1-CG2 4.45Å; L696-I705 HydrophobicContact CB-CD1 4.23Å; L696-I705 HydrophobicContact CD2-CD1 3.67Å; M699-I705 HydrophobicContact CB-CD1 3.71Å; M699-I705 HydrophobicContact CB-CG1 3.6Å; M699-I705 HydrophobicContact CE-CD1 4.24Å; M699-I705 HydrophobicContact CE-CG1 3.95Å; M699-I705 HydrophobicContact CG-CD1 4.42Å; M699-I705 PolarHBondContact O-N 3.37Å; M699-I705 HydrophobicContact SD-CD1 4.1Å; M699-I705 HydrophobicContact SD-CG1 4.39Å; E700-I705 HydrophobicContact CG-CB 3.71Å; E700-I705 HydrophobicContact CG-CD1 4.23Å; E700-I705 HydrophobicContact CG-CG1 4.39Å; E700-I705 HydrophobicContact CG-CG2 4.01Å; I705-I707 HydrophobicContact CG2-CG1 4.26Å
706	Q	92	Very high	86.1	Confident	26 Å²	26	50.9 Å²	50.9	12%	0.121	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	134	176.1	-64.6	172.9	48.1	0	0	109.4	F540 V660 F661 I662 N703	F540-Q706 HydrophobicContact CD1-CB 3.85Å; F540-Q706 HydrophobicContact CE1-CB 4.08Å; V660-Q706 PolarHBondContact O-N 3Å; F661-Q706 WeakPolarHBondContact CA-O 3.29Å; F661-Q706 HydrophobicContact CD1-CB 3.87Å; F661-Q706 HydrophobicContact CE1-CB 4.04Å; F661-Q706 HydrophobicContact CE1-CG 4.19Å; I662-Q706 PolarHBondContact N-O 2.92Å; N703-Q706 PolarHBondContact O-NE2 3.15Å; N703-Q706 VanDerWaalsContact O-NE2 3.09Å
707	I	89.1	Confident	85.5	Confident	50 Å²	50	54.3 Å²	54.3	26%	0.256	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	118.1	-176.3	-52.8	178.9	0	0	0	108.6	I662 P670 I705	I662-I707 HydrophobicContact CB-CG1 4.2Å; I662-I707 HydrophobicContact CB-CG2 4.3Å; I662-I707 HydrophobicContact CD1-CD1 4.25Å; I662-I707 HydrophobicContact CD1-CG1 4.07Å; I662-I707 HydrophobicContact CG2-CG2 4.39Å; I662-I707 WeakPolarHBondContact O-CA 3.5Å; P670-I707 HydrophobicContact CB-CG2 4.21Å; P670-I707 HydrophobicContact CG-CG2 4.45Å; I705-I707 HydrophobicContact CG2-CG1 4.26Å
708	E	85.7	Confident	85.1	Confident	16 Å²	16	56.6 Å²	56.6	8%	0.075	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	98.3	173	-172.8	178.2	142	0	0	108.5	S487 I536 F540 I662 V663 G664	S487-E708 PolarHBondContact OG-OE1 3.35Å; I536-E708 HydrophobicContact CD1-CG 4.01Å; F540-E708 HydrophobicContact CD1-CB 4.26Å; F540-E708 HydrophobicContact CE1-CB 3.61Å; F540-E708 HydrophobicContact CE2-CB 3.95Å; F540-E708 HydrophobicContact CZ-CB 3.44Å; F540-E708 VanDerWaalsContact CZ-CB 3.44Å; I662-E708 PolarHBondContact O-N 3.22Å; V663-E708 VanDerWaalsContact CA-O 3.29Å; V663-E708 WeakPolarHBondContact CA-O 3.46Å; V663-E708 HydrophobicContact CG2-CB 4.35Å; G664-E708 PolarHBondContact N-O 2.84Å
709	S	76	Confident	84.5	Confident	25 Å²	25	52.9 Å²	52.9	18%	0.175	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	135.4	-177.6	66.3	0	0	0	0	111.7	G664 Q666	G664-S709 CarbonylContact O-C 3.58Å; G664-S709 VanDerWaalsContact O-CA 3.24Å; G664-S709 WeakPolarHBondContact O-CA 3.17Å; Q666-S709 WeakPolarHBondContact CG-OG 3.4Å; Q666-S709 PolarHBondContact NE2-OG 3.48Å
710	W	67.4	Low	83.7	Confident	72 Å²	72	57.3 Å²	57.3	27%	0.273	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	153.6	175.4	57.7	86.9	0	0	0	112.3	V663 G664 N665 Q666	V663-W710 HydrophobicContact CB-CZ3 4.43Å; V663-W710 HydrophobicContact CG2-CH2 3.69Å; V663-W710 HydrophobicContact CG2-CZ3 3.37Å; G664-W710 VanDerWaalsContact CA-CZ2 3.47Å; G664-W710 PolarHBondContact O-N 2.65Å; N665-W710 CarbonylContact C-O 3.48Å; N665-W710 WeakPolarHBondContact CA-O 3.37Å; Q666-W710 WeakPolarHBondContact CB-O 3.48Å; Q666-W710 PolarHBondContact N-O 3.36Å
711	T	54	Low	83.2	Confident	109 Å²	109	56.4 Å²	56.4	67%	0.669	30%	0.298	S	S	*	.			trans	-68.9	0	171.8	52.4	0	0	0	0	113	Y131	Y131-T711 HydrophobicContact CE1-CG2 4.42Å; Y131-T711 VanDerWaalsContact OH-CG2 3.23Å; Y131-T711 WeakPolarHBondContact OH-CG2 3.39Å

Retrieved 711 of 711 residues in 192.4 ms (Link to these results)

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