A0A024R0Y5_HUMAN Loading...

6-phosphofructokinase type A

Catalyzes the phosphorylation of D-fructose 6-phosphate to fructose 1,6-bisphosphate by ATP, the first committing step of glycolysis.

AlphaFold DB (P08237), UniProt , Accession A0A024R0Y5, Species HUMAN (Homo sapiens, Human), Gene PFKM, Length 780 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	30.9	Very low	46.8	Very low	155 Å²	155	98.7 Å²	98.7	76%	0.764	50%	0.501	S	S	*	.				0	113.7	0	-68.5	175	-168.5	0	0	108.3	E5 H6	M1-E5 WeakPolarHBondContact CA-OE2 3.44Å; M1-E5 WeakPolarHBondContact CB-OE2 3.37Å; M1-E5 WeakPolarHBondContact CG-OE2 3.38Å; M1-H6 PolarHBondContact O-NE2 2.96Å
2	T	33.6	Very low	49.9	Very low	94 Å²	94	95.2 Å²	95.2	58%	0.577	48%	0.484	S	S	*	.			trans	-70.5	156.1	173.1	49.3	0	0	0	0	109.4	E4 E5 H6	T2-E4 PolarHBondContact O-N 2.64Å; T2-E5 PolarHBondContact O-N 3.38Å; T2-E5 VanDerWaalsContact O-N 3.15Å; T2-H6 PolarHBondContact O-CD2 3.49Å
3	H	33.2	Very low	52.6	Low	169 Å²	169	87.8 Å²	87.8	78%	0.782	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-17.8	-178.4	-98.7	-67.1	0	0	0	115	H6	H3-H6 WeakPolarHBondContact O-CB 2.98Å
4	E	32.2	Very low	55.2	Low	172 Å²	172	89.7 Å²	89.7	80%	0.804	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-34	179.3	-72.8	-178.8	152.6	0	0	113.4	T2 H6	T2-E4 PolarHBondContact O-N 2.64Å; E4-H6 VanDerWaalsContact C-N 3.26Å; E4-H6 PolarHBondContact O-N 3.22Å
5	E	36.6	Very low	57.4	Low	118 Å²	118	89.2 Å²	89.2	55%	0.551	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-69.6	-28.7	176.6	-67.3	173.5	149.8	0	0	111.4	M1 T2 H7 A8	M1-E5 WeakPolarHBondContact CA-OE2 3.44Å; M1-E5 WeakPolarHBondContact CB-OE2 3.37Å; M1-E5 WeakPolarHBondContact CG-OE2 3.38Å; T2-E5 PolarHBondContact O-N 3.38Å; T2-E5 VanDerWaalsContact O-N 3.15Å; E5-H7 PolarHBondContact O-N 2.86Å; E5-A8 PolarHBondContact O-N 3.42Å
6	H	38.8	Very low	59.6	Low	63 Å²	63	87.2 Å²	87.2	29%	0.292	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-61.9	-28.5	-176.6	-67.6	-148.6	0	0	0	112.5	M1 T2 H3 E4 D758	M1-H6 PolarHBondContact O-NE2 2.96Å; T2-H6 PolarHBondContact O-CD2 3.49Å; H3-H6 WeakPolarHBondContact O-CB 2.98Å; E4-H6 VanDerWaalsContact C-N 3.26Å; E4-H6 PolarHBondContact O-N 3.22Å; H6-D758 IonicContact CE1-OD2 3.92Å; H6-D758 IonicContact ND1-OD2 3.78Å
7	H	45	Very low	61.8	Low	132 Å²	132	82.1 Å²	82.1	61%	0.611	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-83.9	-20.3	-175.7	-139.2	-17.7	0	0	0	113.3	E5 T11	E5-H7 PolarHBondContact O-N 2.86Å; H7-T11 VanDerWaalsContact O-CG2 3.27Å; H7-T11 WeakPolarHBondContact O-CG2 3.2Å; H7-T11 PolarHBondContact O-OG1 2.95Å
8	A	57.9	Low	63.8	Low	54 Å²	54	77.6 Å²	77.6	45%	0.446	42%	0.416	S	S	.	.	H	α-helix	trans	-66.8	-45	-167.5	0	0	0	0	0	113.1	E5 K10 T11 L12	E5-A8 PolarHBondContact O-N 3.42Å; A8-K10 PolarHBondContact O-N 3.5Å; A8-T11 PolarHBondContact O-N 2.86Å; A8-T11 PolarHBondContact O-OG1 2.94Å; A8-T11 VanDerWaalsContact O-OG1 3.07Å; A8-L12 WeakPolarHBondContact O-CG 3.3Å; A8-L12 PolarHBondContact O-N 3.27Å; A8-L12 VanDerWaalsContact O-N 3.15Å
9	A	59.9	Low	65.6	Low	9 Å²	9	73.5 Å²	73.5	7%	0.074	39%	0.394	C	S	.	.	H	α-helix	trans	-71.4	-36.9	-171.6	0	0	0	0	0	114	T11 L12 L759 T761	A9-T11 PolarHBondContact O-N 2.92Å; A9-L12 HydrophobicContact CB-CD1 4.22Å; A9-L759 HydrophobicContact CB-CB 3.93Å; A9-T761 HydrophobicContact CB-CG2 3.95Å
10	K	67.6	Low	67.2	Low	69 Å²	69	69.8 Å²	69.8	30%	0.3	38%	0.375	S	S	.	.	H	α-helix	trans	-72.3	-16.2	177.6	-73.1	-179.3	-178.2	168.2	0	113	A8 F43 T44 I757	A8-K10 PolarHBondContact O-N 3.5Å; K10-F43 HydrophobicContact CG-CE1 4.18Å; K10-F43 HydrophobicContact CG-CZ 4.29Å; K10-T44 CarbonylContact O-C 3.53Å; K10-I757 WeakPolarHBondContact CE-O 3.36Å
11	T	79.3	Confident	68.7	Low	51 Å²	51	66.5 Å²	66.5	31%	0.313	36%	0.357	S	S	.	.	H	α-helix	trans	-106.5	-8.1	-177	60.5	0	0	0	0	113.3	H7 A8 A9 G13 I14	H7-T11 VanDerWaalsContact O-CG2 3.27Å; H7-T11 WeakPolarHBondContact O-CG2 3.2Å; H7-T11 PolarHBondContact O-OG1 2.95Å; A8-T11 PolarHBondContact O-N 2.86Å; A8-T11 PolarHBondContact O-OG1 2.94Å; A8-T11 VanDerWaalsContact O-OG1 3.07Å; A9-T11 PolarHBondContact O-N 2.92Å; T11-G13 PolarHBondContact O-N 3.22Å; T11-G13 VanDerWaalsContact O-N 3.08Å; T11-I14 HydrophobicContact CG2-CD1 3.7Å; T11-I14 WeakPolarHBondContact O-CB 3.3Å; T11-I14 PolarHBondContact O-N 3.24Å
12	L	83.8	Confident	71.8	Confident	56 Å²	56	59.1 Å²	59.1	29%	0.293	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	-35.1	178.6	-84.8	159.8	0	0	0	114.1	A8 A9 L325 T761	A8-L12 WeakPolarHBondContact O-CG 3.3Å; A8-L12 PolarHBondContact O-N 3.27Å; A8-L12 VanDerWaalsContact O-N 3.15Å; A9-L12 HydrophobicContact CB-CD1 4.22Å; L12-L325 HydrophobicContact CB-CD1 4.07Å; L12-T761 HydrophobicContact CD1-CG2 4.41Å
13	G	84.9	Confident	74.7	Confident	0 Å²	0	55 Å²	55	0%	0	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-6	-176.8	0	0	0	0	0	115.1	T11 G15 K16 T44 G45 A46	T11-G13 PolarHBondContact O-N 3.22Å; T11-G13 VanDerWaalsContact O-N 3.08Å; G13-G15 PolarHBondContact O-N 3.38Å; G13-K16 WeakPolarHBondContact O-CB 3.5Å; G13-K16 PolarHBondContact O-N 3.44Å; G13-T44 CarbonylContact C-O 3.54Å; G13-T44 WeakPolarHBondContact CA-O 3.35Å; G13-T44 PolarHBondContact N-O 2.82Å; G13-G45 CarbonylContact O-C 3.52Å; G13-A46 VanDerWaalsContact O-CA 3.23Å; G13-A46 WeakPolarHBondContact O-CA 2.97Å; G13-A46 PolarHBondContact O-N 2.99Å
14	I	88.8	Confident	77.5	Confident	114 Å²	114	48.9 Å²	48.9	59%	0.585	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	125.8	-177.7	-66	177.4	0	0	0	109.7	T11 K16	T11-I14 HydrophobicContact CG2-CD1 3.7Å; T11-I14 WeakPolarHBondContact O-CB 3.3Å; T11-I14 PolarHBondContact O-N 3.24Å; I14-K16 VanDerWaalsContact C-N 3.26Å; I14-K16 PolarHBondContact O-N 3Å
15	G	88.2	Confident	80.2	Confident	82 Å²	82	42.8 Å²	42.8	85%	0.845	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	-4	-177.7	0	0	0	0	0	114.9	G13	G13-G15 PolarHBondContact O-N 3.38Å
16	K	93.2	Very high	82.9	Confident	57 Å²	57	39.8 Å²	39.8	25%	0.248	25%	0.249	C	C	.	.			trans	-96.6	153.4	176.4	-59.8	-172.3	-179.8	-172.2	0	111.4	G13 I14 R47 L325	G13-K16 WeakPolarHBondContact O-CB 3.5Å; G13-K16 PolarHBondContact O-N 3.44Å; I14-K16 VanDerWaalsContact C-N 3.26Å; I14-K16 PolarHBondContact O-N 3Å; K16-R47 PolarHBondContact O-N 3.39Å; K16-L325 HydrophobicContact CB-CD2 4.38Å; K16-L325 HydrophobicContact CD-CD2 3.8Å; K16-L325 PolarHBondContact NZ-O 2.78Å
17	A	96.9	Very high	85.6	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.008	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	137.7	171.2	0	0	0	0	0	111.4	R47 F49 G109 I110 N112	A17-R47 CarbonylContact C-O 3.56Å; A17-R47 VanDerWaalsContact CA-O 3.23Å; A17-R47 WeakPolarHBondContact CA-O 3.46Å; A17-R47 HydrophobicContact CB-CB 4.34Å; A17-F49 HydrophobicContact CB-CD2 4.37Å; A17-F49 HydrophobicContact CB-CE2 3.95Å; A17-G109 WeakPolarHBondContact CB-O 3.23Å; A17-I110 HydrophobicContact CB-CG1 4.05Å; A17-N112 WeakPolarHBondContact O-CB 3.46Å; A17-N112 PolarHBondContact O-N 3.19Å; A17-N112 PolarHBondContact O-ND2 2.89Å; A17-N112 VanDerWaalsContact O-ND2 3.11Å
18	I	97.8	Very high	88	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	130.7	-178.3	-59.2	170.7	0	0	0	108.5	V37 A46 R47 V48 F49 N112 V321 L324 L325	I18-V37 HydrophobicContact CG2-CG1 4.08Å; I18-A46 HydrophobicContact CD1-CB 4.04Å; I18-A46 HydrophobicContact CG1-CB 4.37Å; I18-R47 PolarHBondContact N-O 2.91Å; I18-V48 HydrophobicContact CB-CG1 4.45Å; I18-V48 HydrophobicContact CB-CG2 4.49Å; I18-V48 CarbonylContact O-C 3.53Å; I18-V48 VanDerWaalsContact O-CA 3.26Å; I18-V48 WeakPolarHBondContact O-CA 3.39Å; I18-F49 PolarHBondContact O-N 3.47Å; I18-N112 CarbonylContact C-O 3.57Å; I18-N112 WeakPolarHBondContact CA-O 3.47Å; I18-N112 HydrophobicContact CB-CB 4.4Å; I18-N112 HydrophobicContact CG1-CB 3.9Å; I18-V321 HydrophobicContact CD1-CG1 4.06Å; I18-L324 HydrophobicContact CG2-CD1 3.86Å; I18-L325 HydrophobicContact CD1-CD2 4.22Å
19	A	98.1	Very high	89.7	Confident	0 Å²	0	28 Å²	28	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	143	164.7	0	0	0	0	0	110.5	F49 V51 L105 I110 N112 L113 C114	A19-F49 CarbonylContact C-O 3.51Å; A19-F49 WeakPolarHBondContact CA-O 3.41Å; A19-V51 HydrophobicContact CB-CG2 3.86Å; A19-L105 HydrophobicContact CB-CD2 4.34Å; A19-I110 HydrophobicContact CB-CD1 4.28Å; A19-I110 HydrophobicContact CB-CG2 3.68Å; A19-N112 PolarHBondContact N-O 2.92Å; A19-L113 HydrophobicContact CB-CD1 3.69Å; A19-C114 PolarHBondContact O-N 3.34Å
20	V	98.2	Very high	91.5	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	133.5	170.7	63.7	0	0	0	0	110.5	V34 V37 V38 F49 F50 V51 C114 I116	V20-V34 HydrophobicContact CG1-CG1 4.22Å; V20-V34 HydrophobicContact CG2-CG2 4.16Å; V20-V37 HydrophobicContact CB-CG1 4.02Å; V20-V37 HydrophobicContact CG2-CB 4.43Å; V20-V37 HydrophobicContact CG2-CG1 4.3Å; V20-V38 HydrophobicContact CG1-CG2 4.47Å; V20-F49 PolarHBondContact N-O 3.22Å; V20-F50 HydrophobicContact CG1-CD1 3.97Å; V20-F50 HydrophobicContact CG1-CE1 4.5Å; V20-V51 PolarHBondContact O-N 3.26Å; V20-C114 WeakPolarHBondContact CA-O 3.39Å; V20-C114 HydrophobicContact CB-CB 4.31Å; V20-C114 HydrophobicContact CG2-CB 4.18Å; V20-I116 HydrophobicContact CG2-CD1 3.78Å; V20-I116 HydrophobicContact CG2-CG1 4.34Å
21	L	97.6	Very high	92.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	149.8	178.8	78	79.1	0	0	0	111.2	V51 Y55 L58 L113 C114 V115 I116	L21-V51 HydrophobicContact CB-CB 3.68Å; L21-V51 HydrophobicContact CB-CG1 4.15Å; L21-V51 HydrophobicContact CB-CG2 4.3Å; L21-V51 HydrophobicContact CD2-CG1 4.48Å; L21-Y55 HydrophobicContact CD2-CD1 4.28Å; L21-Y55 HydrophobicContact CD2-CE1 4.19Å; L21-L58 HydrophobicContact CD2-CD2 4.27Å; L21-L113 HydrophobicContact CD2-CD1 4.09Å; L21-C114 PolarHBondContact N-O 3.33Å; L21-V115 HydrophobicContact CD1-CB 4.5Å; L21-V115 HydrophobicContact CD1-CG1 3.91Å; L21-V115 HydrophobicContact CD1-CG2 4.41Å; L21-V115 HydrophobicContact CD2-CG2 4.39Å; L21-V115 HydrophobicContact CG-CG2 4.22Å; L21-I116 PolarHBondContact O-N 2.99Å
22	T	97.3	Very high	93.8	Very high	0 Å²	0	22 Å²	22	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	124.5	170.9	47.1	0	0	0	0	110.3	M30 V34 G54 T82 I84 G85 S86 I116	T22-M30 HydrophobicContact CG2-CB 4.19Å; T22-M30 HydrophobicContact CG2-SD 4.1Å; T22-V34 HydrophobicContact CG2-CG2 3.98Å; T22-G54 VanDerWaalsContact O-CA 3.24Å; T22-G54 WeakPolarHBondContact O-CA 3.28Å; T22-T82 WeakPolarHBondContact CG2-OG1 3.42Å; T22-T82 WeakPolarHBondContact OG1-CB 3.18Å; T22-T82 WeakPolarHBondContact OG1-CG2 3.31Å; T22-T82 PolarHBondContact OG1-OG1 2.76Å; T22-I84 HydrophobicContact CG2-CD1 4.17Å; T22-I84 HydrophobicContact CG2-CG1 4.25Å; T22-I84 VanDerWaalsContact OG1-CG1 3.25Å; T22-I84 WeakPolarHBondContact OG1-CG1 3.33Å; T22-G85 PolarHBondContact OG1-O 2.92Å; T22-S86 WeakPolarHBondContact O-CB 3.3Å; T22-S86 PolarHBondContact O-OG 3.22Å; T22-I116 CarbonylContact C-O 3.58Å; T22-I116 VanDerWaalsContact CA-O 3.28Å; T22-I116 WeakPolarHBondContact CA-O 3.35Å; T22-I116 HydrophobicContact CG2-CB 3.98Å; T22-I116 HydrophobicContact CG2-CD1 4.3Å; T22-I116 HydrophobicContact CG2-CG2 4.35Å
23	S	94.2	Very high	94.4	Very high	8 Å²	8	19.3 Å²	19.3	6%	0.056	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	140.5	-172.9	-179.1	0	0	0	0	111	Y55 S86 I116 G117 S121	S23-Y55 WeakPolarHBondContact OG-CD2 3.43Å; S23-Y55 WeakPolarHBondContact OG-CE2 3.49Å; S23-S86 WeakPolarHBondContact CA-OG 3.08Å; S23-I116 PolarHBondContact N-O 3.45Å; S23-G117 WeakPolarHBondContact O-CA 3.18Å; S23-S121 VanDerWaalsContact C-OG 3.25Å; S23-S121 VanDerWaalsContact CB-OG 3.3Å; S23-S121 WeakPolarHBondContact CB-OG 3.46Å; S23-S121 PolarHBondContact O-OG 2.92Å; S23-S121 WeakPolarHBondContact OG-CB 3.45Å; S23-S121 PolarHBondContact OG-OG 2.95Å
24	G	90.3	Very high	95	Very high	41 Å²	41	19.3 Å²	19.3	42%	0.423	14%	0.14	S	C	.	.	S	Bend	trans	99.9	-152.2	179.2	0	0	0	0	0	113	S86	G24-S86 PolarHBondContact N-OG 2.99Å; G24-S86 PolarHBondContact O-OG 2.75Å
25	G	90.4	Very high	95.5	Very high	44 Å²	44	14.4 Å²	14.4	45%	0.454	11%	0.114	S	C	.	.	S	Bend	trans	-71.3	137.8	171.8	0	0	0	0	0	110	M30	G25-M30 VanDerWaalsContact O-CE 3.29Å; G25-M30 WeakPolarHBondContact O-CE 3.32Å
26	D	93.3	Very high	95.9	Very high	54 Å²	54	10.5 Å²	10.5	29%	0.289	7%	0.074	S	C	.	.			trans	-69.9	149.3	176.1	66.1	-51.9	0	0	0	111.5	G81 T82 R301	D26-G81 WeakPolarHBondContact OD2-CA 3.45Å; D26-T82 HydrophobicContact CB-CG2 4.46Å; D26-R301 IonicContact OD1-NE 2.98Å
27	A	94.5	Very high	96.1	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	6%	0.062	C	C	.	.			trans	-142.8	141.1	179.2	0	0	0	0	0	110.8	G29 M30 I165 I176	A27-G29 PolarHBondContact O-N 2.92Å; A27-M30 HydrophobicContact CB-CE 4Å; A27-M30 HydrophobicContact CB-CG 4.41Å; A27-M30 VanDerWaalsContact O-CG 3.28Å; A27-M30 WeakPolarHBondContact O-CG 3.05Å; A27-M30 PolarHBondContact O-N 3.3Å; A27-I165 HydrophobicContact CB-CG2 4.18Å; A27-I176 WeakPolarHBondContact CB-O 3.46Å
28	Q	95.4	Very high	96.1	Very high	1 Å²	1	7.8 Å²	7.8	1%	0.005	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	121.7	178.8	-83	60.5	40.6	0	0	110.9	G177 S180 R301 G302 G303 P305	Q28-G177 WeakPolarHBondContact O-CA 3.34Å; Q28-G177 PolarHBondContact O-N 3.31Å; Q28-S180 WeakPolarHBondContact CB-OG 3.28Å; Q28-R301 PolarHBondContact NE2-O 2.61Å; Q28-R301 VanDerWaalsContact OE1-C 3.28Å; Q28-R301 PolarHBondContact OE1-O 3.38Å; Q28-G302 VanDerWaalsContact NE2-CA 3.29Å; Q28-G302 PolarHBondContact NE2-O 3.45Å; Q28-G303 WeakPolarHBondContact CG-O 3.03Å; Q28-G303 PolarHBondContact NE2-O 3.35Å; Q28-P305 HydrophobicContact CB-CB 3.95Å
29	G	95.1	Very high	96	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.01	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	107.9	-10.6	-179.2	0	0	0	0	0	114.1	A27 N31 A32 A33 I176	A27-G29 PolarHBondContact O-N 2.92Å; G29-N31 PolarHBondContact O-N 3.3Å; G29-A32 WeakPolarHBondContact O-CA 3.38Å; G29-A32 VanDerWaalsContact O-CB 3.31Å; G29-A32 WeakPolarHBondContact O-CB 3.49Å; G29-A32 PolarHBondContact O-N 3.4Å; G29-A33 PolarHBondContact O-N 3.39Å; G29-I176 VanDerWaalsContact C-CG2 3.42Å
30	M	97.1	Very high	95.8	Very high	2 Å²	2	8.9 Å²	8.9	1%	0.01	7%	0.066	C	C	.	.	H	α-helix	trans	-53.5	-42.1	170.4	-75.2	-176.6	171	0	0	111.8	T22 G25 A27 A32 A33 V34 I116 G163	T22-M30 HydrophobicContact CG2-CB 4.19Å; T22-M30 HydrophobicContact CG2-SD 4.1Å; G25-M30 VanDerWaalsContact O-CE 3.29Å; G25-M30 WeakPolarHBondContact O-CE 3.32Å; A27-M30 HydrophobicContact CB-CE 4Å; A27-M30 HydrophobicContact CB-CG 4.41Å; A27-M30 VanDerWaalsContact O-CG 3.28Å; A27-M30 WeakPolarHBondContact O-CG 3.05Å; A27-M30 PolarHBondContact O-N 3.3Å; M30-A32 PolarHBondContact O-N 3.3Å; M30-A33 WeakPolarHBondContact O-CB 3.15Å; M30-A33 PolarHBondContact O-N 3.2Å; M30-A33 VanDerWaalsContact O-N 3.13Å; M30-V34 WeakPolarHBondContact O-CG2 3.47Å; M30-V34 PolarHBondContact O-N 3Å; M30-I116 HydrophobicContact CB-CG2 4.42Å; M30-I116 HydrophobicContact CG-CG2 3.89Å; M30-G163 WeakPolarHBondContact CE-O 3.29Å
31	N	97.5	Very high	95.7	Very high	1 Å²	1	8.9 Å²	8.9	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-59.2	-32.4	174.8	-70.2	-33.7	0	0	0	113.6	G29 R35 M76 L79 G80 G81 T82 V83	G29-N31 PolarHBondContact O-N 3.3Å; N31-R35 VanDerWaalsContact O-CB 3.23Å; N31-R35 WeakPolarHBondContact O-CB 3.31Å; N31-R35 PolarHBondContact O-N 2.9Å; N31-M76 HydrophobicContact CB-CB 4.28Å; N31-M76 VanDerWaalsContact CB-O 3.3Å; N31-M76 WeakPolarHBondContact CB-O 3.27Å; N31-L79 PolarHBondContact ND2-O 2.92Å; N31-G80 PolarHBondContact ND2-O 2.91Å; N31-G80 VanDerWaalsContact ND2-O 3.14Å; N31-G81 PolarHBondContact ND2-O 3.09Å; N31-G81 VanDerWaalsContact ND2-O 3.09Å; N31-T82 WeakPolarHBondContact OD1-CA 3.03Å; N31-V83 WeakPolarHBondContact OD1-CG1 3.4Å; N31-V83 VanDerWaalsContact OD1-CG2 3.23Å; N31-V83 WeakPolarHBondContact OD1-CG2 3.15Å; N31-V83 PolarHBondContact OD1-N 2.83Å
32	A	97.1	Very high	95.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-70.5	-39.8	176.3	0	0	0	0	0	111.5	G29 M30 R35 A36 L77 R310	G29-A32 WeakPolarHBondContact O-CA 3.38Å; G29-A32 VanDerWaalsContact O-CB 3.31Å; G29-A32 WeakPolarHBondContact O-CB 3.49Å; G29-A32 PolarHBondContact O-N 3.4Å; M30-A32 PolarHBondContact O-N 3.3Å; A32-R35 PolarHBondContact O-N 3.08Å; A32-A36 WeakPolarHBondContact O-CB 3.5Å; A32-A36 PolarHBondContact O-N 3.4Å; A32-L77 HydrophobicContact CB-CD2 3.64Å; A32-R310 HydrophobicContact CB-CB 4.5Å; A32-R310 WeakPolarHBondContact CB-O 3.22Å
33	A	97.2	Very high	95.4	Very high	0 Å²	0	13 Å²	13	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-64.4	-49.4	172.8	0	0	0	0	0	112.1	G29 M30 R35 A36 V37 I116 L161 I176 G313	G29-A33 PolarHBondContact O-N 3.39Å; M30-A33 WeakPolarHBondContact O-CB 3.15Å; M30-A33 PolarHBondContact O-N 3.2Å; M30-A33 VanDerWaalsContact O-N 3.13Å; A33-R35 VanDerWaalsContact C-N 3.3Å; A33-R35 PolarHBondContact O-N 3.49Å; A33-A36 PolarHBondContact O-N 2.86Å; A33-A36 VanDerWaalsContact O-N 3.12Å; A33-V37 WeakPolarHBondContact O-CG2 3.22Å; A33-V37 PolarHBondContact O-N 3.46Å; A33-I116 HydrophobicContact CB-CD1 3.76Å; A33-L161 HydrophobicContact CB-CD1 3.84Å; A33-I176 HydrophobicContact CB-CD1 4.14Å; A33-G313 VanDerWaalsContact CA-O 3.24Å; A33-G313 WeakPolarHBondContact CA-O 3.33Å
34	V	97.9	Very high	95.2	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-54.5	-47.7	174.6	172.5	0	0	0	0	110.9	V20 T22 M30 A36 V37 V38 F50 I84 I116	V20-V34 HydrophobicContact CG1-CG1 4.22Å; V20-V34 HydrophobicContact CG2-CG2 4.16Å; T22-V34 HydrophobicContact CG2-CG2 3.98Å; M30-V34 WeakPolarHBondContact O-CG2 3.47Å; M30-V34 PolarHBondContact O-N 3Å; V34-A36 VanDerWaalsContact C-N 3.34Å; V34-A36 PolarHBondContact O-N 2.79Å; V34-V37 PolarHBondContact O-N 3.28Å; V34-V38 WeakPolarHBondContact O-CG2 3.45Å; V34-V38 PolarHBondContact O-N 3.5Å; V34-F50 HydrophobicContact CG1-CD1 4.11Å; V34-F50 HydrophobicContact CG1-CE1 3.62Å; V34-I84 HydrophobicContact CG2-CD1 4.08Å; V34-I116 HydrophobicContact CG2-CD1 3.6Å
35	R	97.5	Very high	95.3	Very high	11 Å²	11	12.5 Å²	12.5	4%	0.042	8%	0.082	C	C	.	.	H	α-helix	trans	-58.1	-44.7	177.5	173	-178.4	170.2	-85.2	0.1	112.3	N31 A32 A33 R39 V73 L752	N31-R35 VanDerWaalsContact O-CB 3.23Å; N31-R35 WeakPolarHBondContact O-CB 3.31Å; N31-R35 PolarHBondContact O-N 2.9Å; A32-R35 PolarHBondContact O-N 3.08Å; A33-R35 VanDerWaalsContact C-N 3.3Å; A33-R35 PolarHBondContact O-N 3.49Å; R35-R39 HydrophobicContact CG-CG 4.49Å; R35-R39 WeakPolarHBondContact O-CB 3.5Å; R35-R39 WeakPolarHBondContact O-CG 3.41Å; R35-R39 PolarHBondContact O-N 3.32Å; R35-V73 HydrophobicContact CB-CB 4.08Å; R35-V73 HydrophobicContact CB-CG2 4.41Å; R35-V73 HydrophobicContact CG-CB 4.01Å; R35-V73 HydrophobicContact CG-CG2 3.9Å; R35-L752 PolarHBondContact NH2-O 2.88Å
36	A	96.7	Very high	95.6	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-66.1	-43.9	-179.7	0	0	0	0	0	111.7	A32 A33 V34 V38 R39 V40 S314 V318 L752	A32-A36 WeakPolarHBondContact O-CB 3.5Å; A32-A36 PolarHBondContact O-N 3.4Å; A33-A36 PolarHBondContact O-N 2.86Å; A33-A36 VanDerWaalsContact O-N 3.12Å; V34-A36 VanDerWaalsContact C-N 3.34Å; V34-A36 PolarHBondContact O-N 2.79Å; A36-V38 VanDerWaalsContact C-N 3.34Å; A36-V38 PolarHBondContact O-N 2.93Å; A36-R39 PolarHBondContact O-N 3.1Å; A36-V40 WeakPolarHBondContact O-CB 3.14Å; A36-V40 VanDerWaalsContact O-CG2 3.3Å; A36-V40 WeakPolarHBondContact O-CG2 3.22Å; A36-V40 PolarHBondContact O-N 3.27Å; A36-S314 WeakPolarHBondContact CB-O 3.39Å; A36-V318 HydrophobicContact CB-CG2 4.35Å; A36-L752 HydrophobicContact CB-CD2 4.29Å
37	V	97.3	Very high	95.7	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-58.2	-46.3	176.6	174	0	0	0	0	111.3	I18 V20 A33 V34 G41 V48 C114 V321	I18-V37 HydrophobicContact CG2-CG1 4.08Å; V20-V37 HydrophobicContact CB-CG1 4.02Å; V20-V37 HydrophobicContact CG2-CB 4.43Å; V20-V37 HydrophobicContact CG2-CG1 4.3Å; A33-V37 WeakPolarHBondContact O-CG2 3.22Å; A33-V37 PolarHBondContact O-N 3.46Å; V34-V37 PolarHBondContact O-N 3.28Å; V37-G41 PolarHBondContact O-N 3.02Å; V37-V48 HydrophobicContact CG1-CG1 4.48Å; V37-C114 HydrophobicContact CG1-CB 4.31Å; V37-V321 HydrophobicContact CB-CG2 4.19Å; V37-V321 HydrophobicContact CG1-CG2 3.98Å; V37-V321 HydrophobicContact CG2-CG2 4.36Å; V37-V321 WeakPolarHBondContact O-CG2 3.5Å
38	V	97.6	Very high	95.9	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-62.9	-51.1	177.2	172.7	0	0	0	0	111.9	V20 V34 A36 I42 V48 F50 A68 V73	V20-V38 HydrophobicContact CG1-CG2 4.47Å; V34-V38 WeakPolarHBondContact O-CG2 3.45Å; V34-V38 PolarHBondContact O-N 3.5Å; A36-V38 VanDerWaalsContact C-N 3.34Å; A36-V38 PolarHBondContact O-N 2.93Å; V38-I42 HydrophobicContact CG1-CD1 3.72Å; V38-I42 WeakPolarHBondContact O-CB 3.28Å; V38-I42 VanDerWaalsContact O-CG1 3.26Å; V38-I42 WeakPolarHBondContact O-CG1 3.32Å; V38-I42 PolarHBondContact O-N 3.08Å; V38-V48 HydrophobicContact CB-CG1 4.45Å; V38-V48 HydrophobicContact CG2-CG1 3.89Å; V38-F50 HydrophobicContact CG2-CD1 4.33Å; V38-F50 HydrophobicContact CG2-CE1 3.53Å; V38-F50 HydrophobicContact CG2-CZ 3.97Å; V38-A68 HydrophobicContact CG1-CB 3.77Å; V38-A68 HydrophobicContact CG2-CB 3.87Å; V38-V73 HydrophobicContact CB-CG1 3.79Å; V38-V73 HydrophobicContact CB-CG2 4.27Å; V38-V73 HydrophobicContact CG1-CG1 3.87Å; V38-V73 HydrophobicContact CG1-CG2 4.03Å; V38-V73 HydrophobicContact CG2-CG1 3.8Å
39	R	95.7	Very high	96	Very high	23 Å²	23	14 Å²	14	9%	0.087	7%	0.071	C	C	.	.	H	α-helix	trans	-66.8	-44.4	-174.6	-75.1	-171.6	175	-156.9	-7.3	112.3	R35 A36 F43 W70 V73 L752	R35-R39 HydrophobicContact CG-CG 4.49Å; R35-R39 WeakPolarHBondContact O-CB 3.5Å; R35-R39 WeakPolarHBondContact O-CG 3.41Å; R35-R39 PolarHBondContact O-N 3.32Å; A36-R39 PolarHBondContact O-N 3.1Å; R39-F43 VanDerWaalsContact O-CB 3.24Å; R39-F43 WeakPolarHBondContact O-CB 3.34Å; R39-F43 PolarHBondContact O-N 3.4Å; R39-W70 HydrophobicContact CB-CE3 4.17Å; R39-W70 HydrophobicContact CB-CH2 3.69Å; R39-W70 HydrophobicContact CB-CZ2 4.44Å; R39-W70 HydrophobicContact CB-CZ3 3.56Å; R39-W70 HydrophobicContact CG-CD2 4.2Å; R39-W70 HydrophobicContact CG-CE3 3.92Å; R39-W70 HydrophobicContact CG-CH2 3.73Å; R39-W70 HydrophobicContact CG-CZ2 4Å; R39-W70 HydrophobicContact CG-CZ3 3.71Å; R39-W70 WeakPolarHBondContact O-CZ3 3.23Å; R39-V73 HydrophobicContact CG-CG2 3.82Å; R39-L752 HydrophobicContact CB-CD2 3.77Å; R39-L752 WeakPolarHBondContact CD-O 3.26Å; R39-L752 PolarHBondContact NH1-O 3.08Å
40	V	94.7	Very high	96.2	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-71.1	-41.2	-179.8	-179.3	0	0	0	0	110.4	A36 I42 F43 T44 V318 V321 M322 I751 L752	A36-V40 WeakPolarHBondContact O-CB 3.14Å; A36-V40 VanDerWaalsContact O-CG2 3.3Å; A36-V40 WeakPolarHBondContact O-CG2 3.22Å; A36-V40 PolarHBondContact O-N 3.27Å; V40-I42 PolarHBondContact O-N 2.93Å; V40-F43 WeakPolarHBondContact O-CB 3.4Å; V40-F43 PolarHBondContact O-N 3.01Å; V40-F43 VanDerWaalsContact O-N 3.15Å; V40-T44 HydrophobicContact CG1-CG2 4.38Å; V40-T44 WeakPolarHBondContact O-CG2 3.35Å; V40-T44 PolarHBondContact O-N 2.86Å; V40-T44 PolarHBondContact O-OG1 2.89Å; V40-V318 HydrophobicContact CG1-CG1 4.48Å; V40-V318 HydrophobicContact CG2-CB 4.18Å; V40-V318 HydrophobicContact CG2-CG1 4.24Å; V40-V318 HydrophobicContact CG2-CG2 3.64Å; V40-V321 HydrophobicContact CB-CB 4.24Å; V40-V321 HydrophobicContact CB-CG1 4.32Å; V40-V321 HydrophobicContact CB-CG2 4.17Å; V40-V321 HydrophobicContact CG1-CB 3.89Å; V40-V321 HydrophobicContact CG1-CG1 3.77Å; V40-V321 HydrophobicContact CG1-CG2 4.37Å; V40-M322 HydrophobicContact CG1-CE 3.74Å; V40-I751 HydrophobicContact CG2-CG2 4.22Å; V40-L752 HydrophobicContact CG2-CD2 3.95Å
41	G	95.5	Very high	96.2	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-56.3	-50.4	175.1	0	0	0	0	0	112.1	V37 F43 T44 G45 A46	V37-G41 PolarHBondContact O-N 3.02Å; G41-F43 VanDerWaalsContact C-N 3.34Å; G41-F43 PolarHBondContact O-N 3.01Å; G41-T44 PolarHBondContact O-N 2.55Å; G41-T44 PolarHBondContact O-OG1 3.18Å; G41-G45 PolarHBondContact O-N 2.99Å; G41-A46 WeakPolarHBondContact O-CB 3.49Å; G41-A46 PolarHBondContact O-N 3.35Å
42	I	95	Very high	96.2	Very high	56 Å²	56	16.7 Å²	16.7	29%	0.287	8%	0.083	S	C	.	.	H	α-helix	trans	-61.7	-41.8	176	-66.7	169.7	0	0	0	111.4	V38 V40 T44 G45 V48 W70	V38-I42 HydrophobicContact CG1-CD1 3.72Å; V38-I42 WeakPolarHBondContact O-CB 3.28Å; V38-I42 VanDerWaalsContact O-CG1 3.26Å; V38-I42 WeakPolarHBondContact O-CG1 3.32Å; V38-I42 PolarHBondContact O-N 3.08Å; V40-I42 PolarHBondContact O-N 2.93Å; I42-T44 VanDerWaalsContact C-N 3.27Å; I42-T44 PolarHBondContact O-N 3.42Å; I42-G45 PolarHBondContact O-N 2.99Å; I42-V48 HydrophobicContact CG1-CG2 4.22Å; I42-W70 HydrophobicContact CG2-CE3 4.4Å
43	F	92.5	Very high	96.2	Very high	32 Å²	32	20.2 Å²	20.2	14%	0.14	10%	0.1	C	C	.	.	H	α-helix	trans	-60.9	-36	179	179.6	-92.1	0	0	0	112.6	K10 R39 V40 G41 G45 I751 L759	K10-F43 HydrophobicContact CG-CE1 4.18Å; K10-F43 HydrophobicContact CG-CZ 4.29Å; R39-F43 VanDerWaalsContact O-CB 3.24Å; R39-F43 WeakPolarHBondContact O-CB 3.34Å; R39-F43 PolarHBondContact O-N 3.4Å; V40-F43 WeakPolarHBondContact O-CB 3.4Å; V40-F43 PolarHBondContact O-N 3.01Å; V40-F43 VanDerWaalsContact O-N 3.15Å; G41-F43 VanDerWaalsContact C-N 3.34Å; G41-F43 PolarHBondContact O-N 3.01Å; F43-G45 VanDerWaalsContact C-N 3.26Å; F43-G45 PolarHBondContact O-N 2.88Å; F43-I751 HydrophobicContact CB-CG2 4.27Å; F43-I751 HydrophobicContact CD1-CG2 3.95Å; F43-I751 HydrophobicContact CD2-CG2 4.15Å; F43-I751 HydrophobicContact CE1-CG1 4.12Å; F43-I751 HydrophobicContact CE1-CG2 4.32Å; F43-I751 HydrophobicContact CE2-CG1 4.46Å; F43-I751 HydrophobicContact CG-CG2 3.86Å; F43-I751 HydrophobicContact CZ-CG1 4.06Å; F43-L759 HydrophobicContact CD1-CD1 4.33Å; F43-L759 HydrophobicContact CE1-CB 4.35Å; F43-L759 HydrophobicContact CE1-CD1 4.09Å
44	T	91.4	Very high	96.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	2.6	175.4	60	0	0	0	0	114.1	K10 G13 V40 G41 I42 M322 L325	K10-T44 CarbonylContact O-C 3.53Å; G13-T44 CarbonylContact C-O 3.54Å; G13-T44 WeakPolarHBondContact CA-O 3.35Å; G13-T44 PolarHBondContact N-O 2.82Å; V40-T44 HydrophobicContact CG1-CG2 4.38Å; V40-T44 WeakPolarHBondContact O-CG2 3.35Å; V40-T44 PolarHBondContact O-N 2.86Å; V40-T44 PolarHBondContact O-OG1 2.89Å; G41-T44 PolarHBondContact O-N 2.55Å; G41-T44 PolarHBondContact O-OG1 3.18Å; I42-T44 VanDerWaalsContact C-N 3.27Å; I42-T44 PolarHBondContact O-N 3.42Å; T44-M322 HydrophobicContact CG2-CE 4.32Å; T44-L325 HydrophobicContact CG2-CD1 3.83Å; T44-L325 VanDerWaalsContact OG1-CD1 3.29Å; T44-L325 WeakPolarHBondContact OG1-CD1 3.22Å
45	G	92.3	Very high	96	Very high	38 Å²	38	20.9 Å²	20.9	39%	0.392	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	3.2	179.7	0	0	0	0	0	115.6	G13 G41 I42 F43	G13-G45 CarbonylContact O-C 3.52Å; G41-G45 PolarHBondContact O-N 2.99Å; I42-G45 PolarHBondContact O-N 2.99Å; F43-G45 VanDerWaalsContact C-N 3.26Å; F43-G45 PolarHBondContact O-N 2.88Å
46	A	95.3	Very high	96	Very high	5 Å²	5	22.2 Å²	22.2	4%	0.041	11%	0.109	C	C	.	.			trans	-78.4	148.1	176.3	0	0	0	0	0	111.9	G13 I18 G41 L325	G13-A46 VanDerWaalsContact O-CA 3.23Å; G13-A46 WeakPolarHBondContact O-CA 2.97Å; G13-A46 PolarHBondContact O-N 2.99Å; I18-A46 HydrophobicContact CD1-CB 4.04Å; I18-A46 HydrophobicContact CG1-CB 4.37Å; G41-A46 WeakPolarHBondContact O-CB 3.49Å; G41-A46 PolarHBondContact O-N 3.35Å; A46-L325 HydrophobicContact CB-CD2 4.46Å
47	R	97.2	Very high	96	Very high	117 Å²	117	22.2 Å²	22.2	44%	0.442	11%	0.109	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	131	166.2	-63.7	-176.5	-60.9	162.1	7.2	109	K16 A17 I18 F49 E67 R108	K16-R47 PolarHBondContact O-N 3.39Å; A17-R47 CarbonylContact C-O 3.56Å; A17-R47 VanDerWaalsContact CA-O 3.23Å; A17-R47 WeakPolarHBondContact CA-O 3.46Å; A17-R47 HydrophobicContact CB-CB 4.34Å; I18-R47 PolarHBondContact N-O 2.91Å; R47-F49 HydrophobicContact CB-CE2 3.88Å; R47-F49 HydrophobicContact CB-CZ 4.5Å; R47-E67 WeakPolarHBondContact CD-OE1 3.35Å; R47-E67 WeakPolarHBondContact CG-OE1 3.48Å; R47-R108 PolarHBondContact NH2-O 2.99Å
48	V	98	Very high	95.9	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.006	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	136.6	-179.3	-169.2	0	0	0	0	110	I18 V37 V38 I42 A68	I18-V48 HydrophobicContact CB-CG1 4.45Å; I18-V48 HydrophobicContact CB-CG2 4.49Å; I18-V48 CarbonylContact O-C 3.53Å; I18-V48 VanDerWaalsContact O-CA 3.26Å; I18-V48 WeakPolarHBondContact O-CA 3.39Å; V37-V48 HydrophobicContact CG1-CG1 4.48Å; V38-V48 HydrophobicContact CB-CG1 4.45Å; V38-V48 HydrophobicContact CG2-CG1 3.89Å; I42-V48 HydrophobicContact CG1-CG2 4.22Å; V48-A68 WeakPolarHBondContact O-CB 3.3Å; V48-A68 PolarHBondContact O-N 2.59Å
49	F	98.4	Very high	95.9	Very high	6 Å²	6	22.4 Å²	22.4	3%	0.026	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	135.5	-179.2	-65.3	-97.3	0	0	0	110.6	A17 I18 A19 V20 R47 I65 K66 E67 I110	A17-F49 HydrophobicContact CB-CD2 4.37Å; A17-F49 HydrophobicContact CB-CE2 3.95Å; I18-F49 PolarHBondContact O-N 3.47Å; A19-F49 CarbonylContact C-O 3.51Å; A19-F49 WeakPolarHBondContact CA-O 3.41Å; V20-F49 PolarHBondContact N-O 3.22Å; R47-F49 HydrophobicContact CB-CE2 3.88Å; R47-F49 HydrophobicContact CB-CZ 4.5Å; F49-I65 HydrophobicContact CB-CG2 3.99Å; F49-I65 HydrophobicContact CD1-CG2 4.17Å; F49-I65 HydrophobicContact CG-CG2 4.36Å; F49-K66 CarbonylContact C-O 3.55Å; F49-K66 VanDerWaalsContact CA-O 3.23Å; F49-K66 WeakPolarHBondContact CA-O 3.39Å; F49-E67 HydrophobicContact CD1-CB 3.95Å; F49-E67 HydrophobicContact CD1-CG 4.5Å; F49-E67 HydrophobicContact CE1-CB 3.69Å; F49-E67 HydrophobicContact CE1-CG 4.11Å; F49-E67 HydrophobicContact CZ-CB 4.29Å; F49-E67 HydrophobicContact CZ-CG 4.21Å; F49-I110 HydrophobicContact CB-CD1 4.02Å; F49-I110 HydrophobicContact CD1-CD1 4.33Å; F49-I110 HydrophobicContact CD2-CD1 3.73Å; F49-I110 HydrophobicContact CD2-CG1 3.88Å; F49-I110 HydrophobicContact CE2-CD1 4.31Å; F49-I110 HydrophobicContact CE2-CG1 4.15Å; F49-I110 HydrophobicContact CG-CD1 3.76Å; F49-I110 HydrophobicContact CG-CG1 4.42Å
50	F	98	Very high	95.9	Very high	15 Å²	15	24.8 Å²	24.8	7%	0.066	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	138.3	162.5	-61.9	-54.4	0	0	0	109.8	V20 V34 V38 I65 K66 A68 S72 V73 I84	V20-F50 HydrophobicContact CG1-CD1 3.97Å; V20-F50 HydrophobicContact CG1-CE1 4.5Å; V34-F50 HydrophobicContact CG1-CD1 4.11Å; V34-F50 HydrophobicContact CG1-CE1 3.62Å; V38-F50 HydrophobicContact CG2-CD1 4.33Å; V38-F50 HydrophobicContact CG2-CE1 3.53Å; V38-F50 HydrophobicContact CG2-CZ 3.97Å; F50-I65 CarbonylContact O-C 3.6Å; F50-I65 VanDerWaalsContact O-CA 3.26Å; F50-I65 WeakPolarHBondContact O-CA 3.44Å; F50-K66 PolarHBondContact N-O 2.86Å; F50-K66 PolarHBondContact O-N 2.92Å; F50-A68 HydrophobicContact CD1-CB 4.4Å; F50-A68 HydrophobicContact CD2-CB 3.84Å; F50-A68 HydrophobicContact CE1-CB 4.09Å; F50-A68 HydrophobicContact CE2-CB 3.49Å; F50-A68 VanDerWaalsContact CE2-CB 3.49Å; F50-A68 HydrophobicContact CG-CB 4.3Å; F50-A68 HydrophobicContact CZ-CB 3.62Å; F50-S72 WeakPolarHBondContact CE2-OG 3.48Å; F50-S72 WeakPolarHBondContact CZ-OG 3.17Å; F50-V73 HydrophobicContact CE1-CG1 3.97Å; F50-V73 HydrophobicContact CZ-CG1 3.55Å; F50-I84 HydrophobicContact CB-CG2 4.06Å; F50-I84 HydrophobicContact CD1-CG2 3.65Å; F50-I84 HydrophobicContact CE1-CG2 4.2Å; F50-I84 HydrophobicContact CG-CG2 3.9Å
51	V	98.1	Very high	95.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	110	164.1	-177.2	0	0	0	0	107.5	A19 V20 L21 G54 L58 H64 I65	A19-V51 HydrophobicContact CB-CG2 3.86Å; V20-V51 PolarHBondContact O-N 3.26Å; L21-V51 HydrophobicContact CB-CB 3.68Å; L21-V51 HydrophobicContact CB-CG1 4.15Å; L21-V51 HydrophobicContact CB-CG2 4.3Å; L21-V51 HydrophobicContact CD2-CG1 4.48Å; V51-G54 WeakPolarHBondContact CG1-O 3.38Å; V51-L58 HydrophobicContact CG1-CB 3.89Å; V51-L58 HydrophobicContact CG1-CD1 4.16Å; V51-L58 HydrophobicContact CG2-CD1 4.2Å; V51-H64 CarbonylContact C-O 3.58Å; V51-H64 WeakPolarHBondContact CA-O 3.49Å; V51-I65 HydrophobicContact CG1-CG1 4.49Å; V51-I65 HydrophobicContact CG2-CG1 4.39Å
52	H	97.3	Very high	95.8	Very high	46 Å²	46	27 Å²	27	21%	0.213	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	150.4	-179.6	-70.3	-80.6	0	0	0	111.6	G54 G57 H64 I84	H52-G54 PolarHBondContact O-N 3.49Å; H52-G54 VanDerWaalsContact O-N 3.17Å; H52-G57 WeakPolarHBondContact O-CA 3.38Å; H52-G57 PolarHBondContact O-N 3.14Å; H52-H64 HydrophobicContact CB-CB 4.45Å; H52-H64 PolarHBondContact CD2-O 3.28Å; H52-H64 PolarHBondContact N-O 3.45Å; H52-I84 CarbonylContact C-O 3.55Å; H52-I84 WeakPolarHBondContact CA-O 3.42Å
53	E	96.1	Very high	95.7	Very high	75 Å²	75	30.6 Å²	30.6	35%	0.35	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	27	175.9	-52.4	-49.4	134.4	0	0	114.8	Q56 I84 A87	E53-Q56 WeakPolarHBondContact O-CB 3.47Å; E53-Q56 PolarHBondContact O-N 3.12Å; E53-I84 PolarHBondContact N-O 3.48Å; E53-A87 HydrophobicContact CB-CB 3.99Å; E53-A87 WeakPolarHBondContact O-CB 3.4Å; E53-A87 PolarHBondContact O-N 3.34Å
54	G	95.7	Very high	95.9	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	-136.1	175.7	0	0	0	0	0	113.2	T22 V51 H52 Q56 G57 L58	T22-G54 VanDerWaalsContact O-CA 3.24Å; T22-G54 WeakPolarHBondContact O-CA 3.28Å; V51-G54 WeakPolarHBondContact CG1-O 3.38Å; H52-G54 PolarHBondContact O-N 3.49Å; H52-G54 VanDerWaalsContact O-N 3.17Å; G54-Q56 PolarHBondContact O-N 3.49Å; G54-G57 PolarHBondContact O-N 3.38Å; G54-L58 PolarHBondContact O-N 3.25Å
55	Y	96.6	Very high	96.2	Very high	13 Å²	13	32.3 Å²	32.3	5%	0.051	18%	0.176	C	C	.	.	H	α-helix	trans	-63.6	-25.8	179.3	-74.8	-62.9	0	0	0	113.2	L21 S23 L58 V59 F92 S121 A125	L21-Y55 HydrophobicContact CD2-CD1 4.28Å; L21-Y55 HydrophobicContact CD2-CE1 4.19Å; S23-Y55 WeakPolarHBondContact OG-CD2 3.43Å; S23-Y55 WeakPolarHBondContact OG-CE2 3.49Å; Y55-L58 HydrophobicContact CD1-CD2 4.05Å; Y55-L58 HydrophobicContact CE1-CD2 4.4Å; Y55-L58 WeakPolarHBondContact O-CB 3.45Å; Y55-L58 PolarHBondContact O-N 2.84Å; Y55-V59 WeakPolarHBondContact O-CG2 3.39Å; Y55-V59 PolarHBondContact O-N 3.32Å; Y55-F92 AromaticContact CD1-CD1 3.67Å; Y55-F92 HydrophobicContact CD1-CD1 3.67Å; Y55-F92 AromaticContact CD1-CD2 3.95Å; Y55-F92 HydrophobicContact CD1-CD2 3.95Å; Y55-F92 AromaticContact CD1-CE1 3.48Å; Y55-F92 HydrophobicContact CD1-CE1 3.48Å; Y55-F92 VanDerWaalsContact CD1-CE1 3.48Å; Y55-F92 AromaticContact CD1-CE2 3.77Å; Y55-F92 HydrophobicContact CD1-CE2 3.77Å; Y55-F92 AromaticContact CD1-CG 3.89Å; Y55-F92 HydrophobicContact CD1-CG 3.89Å; Y55-F92 AromaticContact CD1-CZ 3.53Å; Y55-F92 HydrophobicContact CD1-CZ 3.53Å; Y55-F92 HydrophobicContact CD2-CD1 4.36Å; Y55-F92 HydrophobicContact CE1-CD1 4.02Å; Y55-F92 AromaticContact CE1-CE1 3.41Å; Y55-F92 HydrophobicContact CE1-CE1 3.41Å; Y55-F92 VanDerWaalsContact CE1-CE1 3.41Å; Y55-F92 HydrophobicContact CE1-CE2 4.21Å; Y55-F92 AromaticContact CE1-CZ 3.52Å; Y55-F92 HydrophobicContact CE1-CZ 3.52Å; Y55-F92 AromaticContact CG-CD1 3.87Å; Y55-F92 HydrophobicContact CG-CD1 3.87Å; Y55-F92 HydrophobicContact CG-CD2 4.44Å; Y55-F92 HydrophobicContact CG-CE1 4.14Å; Y55-F92 HydrophobicContact CG-CG 4.03Å; Y55-S121 PolarHBondContact OH-O 3.02Å; Y55-A125 WeakPolarHBondContact OH-CA 3.3Å; Y55-A125 WeakPolarHBondContact OH-CB 3.23Å; Y55-A125 PolarHBondContact OH-N 3.42Å
56	Q	96.2	Very high	96.4	Very high	40 Å²	40	35.3 Å²	35.3	19%	0.187	18%	0.178	C	C	.	.	H	α-helix	trans	-63.9	-49.8	179.4	-173.3	57.4	49.8	0	0	110.5	E53 G54 L58 V59 D60 A87 C89	E53-Q56 WeakPolarHBondContact O-CB 3.47Å; E53-Q56 PolarHBondContact O-N 3.12Å; G54-Q56 PolarHBondContact O-N 3.49Å; Q56-L58 PolarHBondContact O-N 3.07Å; Q56-V59 WeakPolarHBondContact O-CB 3.34Å; Q56-V59 PolarHBondContact O-N 3.48Å; Q56-D60 WeakPolarHBondContact CG-OD2 3.49Å; Q56-D60 VanDerWaalsContact NE2-CG 3.28Å; Q56-D60 PolarHBondContact NE2-OD1 3.38Å; Q56-D60 PolarHBondContact NE2-OD2 2.87Å; Q56-D60 VanDerWaalsContact O-CG 3.27Å; Q56-D60 PolarHBondContact O-N 3.24Å; Q56-A87 HydrophobicContact CB-CB 4.01Å; Q56-C89 HydrophobicContact CB-CB 4.2Å; Q56-C89 PolarHBondContact OE1-SG 2.96Å
57	G	96.6	Very high	96.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-69.2	-22.3	176.5	0	0	0	0	0	114.1	H52 G54 V59 G61 H64	H52-G57 WeakPolarHBondContact O-CA 3.38Å; H52-G57 PolarHBondContact O-N 3.14Å; G54-G57 PolarHBondContact O-N 3.38Å; G57-V59 VanDerWaalsContact C-N 3.34Å; G57-G61 PolarHBondContact O-N 2.81Å; G57-H64 VanDerWaalsContact CA-CB 3.49Å; G57-H64 WeakPolarHBondContact O-CB 3.19Å
58	L	96.2	Very high	96.5	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-64.5	-41.4	169.5	-166.6	65.4	0	0	0	111.3	L21 V51 G54 Y55 Q56 I65 F92 A101 N104 L105 F128	L21-L58 HydrophobicContact CD2-CD2 4.27Å; V51-L58 HydrophobicContact CG1-CB 3.89Å; V51-L58 HydrophobicContact CG1-CD1 4.16Å; V51-L58 HydrophobicContact CG2-CD1 4.2Å; G54-L58 PolarHBondContact O-N 3.25Å; Y55-L58 HydrophobicContact CD1-CD2 4.05Å; Y55-L58 HydrophobicContact CE1-CD2 4.4Å; Y55-L58 WeakPolarHBondContact O-CB 3.45Å; Y55-L58 PolarHBondContact O-N 2.84Å; Q56-L58 PolarHBondContact O-N 3.07Å; L58-I65 HydrophobicContact CD1-CD1 4.23Å; L58-F92 HydrophobicContact CD2-CE2 3.99Å; L58-F92 HydrophobicContact CD2-CZ 4.44Å; L58-A101 HydrophobicContact CB-CB 4.47Å; L58-A101 HydrophobicContact CD2-CB 3.92Å; L58-A101 HydrophobicContact CG-CB 3.75Å; L58-A101 WeakPolarHBondContact O-CA 3.45Å; L58-N104 PolarHBondContact O-ND2 3.37Å; L58-L105 HydrophobicContact CD1-CD1 4.15Å; L58-L105 HydrophobicContact CD1-CD2 3.62Å; L58-L105 HydrophobicContact CD1-CG 3.83Å; L58-F128 HydrophobicContact CD2-CE1 4.24Å
59	V	96.9	Very high	96.4	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.018	20%	0.203	C	C	.	.	H	α-helix	trans	-72.4	-43.6	177.6	173.6	0	0	0	0	111.6	Y55 Q56 G57 D91 F92 R100 A101 N104	Y55-V59 WeakPolarHBondContact O-CG2 3.39Å; Y55-V59 PolarHBondContact O-N 3.32Å; Q56-V59 WeakPolarHBondContact O-CB 3.34Å; Q56-V59 PolarHBondContact O-N 3.48Å; G57-V59 VanDerWaalsContact C-N 3.34Å; V59-D91 HydrophobicContact CG1-CB 4.1Å; V59-F92 HydrophobicContact CG2-CB 4.16Å; V59-F92 HydrophobicContact CG2-CD2 3.75Å; V59-F92 HydrophobicContact CG2-CG 4.46Å; V59-R100 HydrophobicContact CG1-CB 4.24Å; V59-R100 VanDerWaalsContact CG1-NH2 3.28Å; V59-A101 HydrophobicContact CG2-CB 4.29Å; V59-N104 PolarHBondContact O-ND2 3.45Å
60	D	96.5	Very high	96.1	Very high	73 Å²	73	39.5 Å²	39.5	39%	0.39	21%	0.207	S	C	.	.	H	α-helix	trans	-70.8	-33.4	-177.3	-64.8	-24.8	0	0	0	112.1	Q56	Q56-D60 WeakPolarHBondContact CG-OD2 3.49Å; Q56-D60 VanDerWaalsContact NE2-CG 3.28Å; Q56-D60 PolarHBondContact NE2-OD1 3.38Å; Q56-D60 PolarHBondContact NE2-OD2 2.87Å; Q56-D60 VanDerWaalsContact O-CG 3.27Å; Q56-D60 PolarHBondContact O-N 3.24Å
61	G	94.2	Very high	95.8	Very high	2 Å²	2	41.3 Å²	41.3	2%	0.021	22%	0.216	C	C	.	.			trans	66.3	-150.6	177.8	0	0	0	0	0	112.9	G57 D63 H64 N104	G57-G61 PolarHBondContact O-N 2.81Å; G61-D63 PolarHBondContact O-N 2.87Å; G61-H64 WeakPolarHBondContact O-CB 3.41Å; G61-H64 PolarHBondContact O-N 3.23Å; G61-N104 VanDerWaalsContact CA-ND2 3.27Å; G61-N104 WeakPolarHBondContact CA-ND2 3.32Å; G61-N104 PolarHBondContact N-ND2 2.93Å
62	G	94.1	Very high	95.6	Very high	46 Å²	46	43.3 Å²	43.3	47%	0.474	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	56.1	-128.4	178	0	0	0	0	0	112.7	H64 I65 R108	G62-H64 PolarHBondContact O-N 3.36Å; G62-I65 PolarHBondContact O-N 2.78Å; G62-I65 VanDerWaalsContact O-N 3.15Å; G62-R108 PolarHBondContact O-NH2 2.79Å
63	D	93.1	Very high	95.5	Very high	130 Å²	130	41.1 Å²	41.1	70%	0.695	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-66.2	-10.3	179.7	-76.9	-31.2	0	0	0	114.2	G61 I65 K66	G61-D63 PolarHBondContact O-N 2.87Å; D63-I65 VanDerWaalsContact C-N 3.26Å; D63-I65 PolarHBondContact O-N 2.82Å; D63-K66 WeakPolarHBondContact O-CE 3.39Å; D63-K66 WeakPolarHBondContact O-CG 3.23Å
64	H	96.6	Very high	95.2	Very high	68 Å²	68	38.7 Å²	38.7	32%	0.315	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-75.7	-16.5	173.1	-68.3	-80.2	0	0	0	112.9	V51 H52 G57 G61 G62	V51-H64 CarbonylContact C-O 3.58Å; V51-H64 WeakPolarHBondContact CA-O 3.49Å; H52-H64 HydrophobicContact CB-CB 4.45Å; H52-H64 PolarHBondContact CD2-O 3.28Å; H52-H64 PolarHBondContact N-O 3.45Å; G57-H64 VanDerWaalsContact CA-CB 3.49Å; G57-H64 WeakPolarHBondContact O-CB 3.19Å; G61-H64 WeakPolarHBondContact O-CB 3.41Å; G61-H64 PolarHBondContact O-N 3.23Å; G62-H64 PolarHBondContact O-N 3.36Å
65	I	97.5	Very high	94.8	Very high	1 Å²	1	41 Å²	41	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	97.4	176.6	-52.1	177.4	0	0	0	109.2	F49 F50 V51 L58 G62 D63 N104 R108 I110	F49-I65 HydrophobicContact CB-CG2 3.99Å; F49-I65 HydrophobicContact CD1-CG2 4.17Å; F49-I65 HydrophobicContact CG-CG2 4.36Å; F50-I65 CarbonylContact O-C 3.6Å; F50-I65 VanDerWaalsContact O-CA 3.26Å; F50-I65 WeakPolarHBondContact O-CA 3.44Å; V51-I65 HydrophobicContact CG1-CG1 4.49Å; V51-I65 HydrophobicContact CG2-CG1 4.39Å; L58-I65 HydrophobicContact CD1-CD1 4.23Å; G62-I65 PolarHBondContact O-N 2.78Å; G62-I65 VanDerWaalsContact O-N 3.15Å; D63-I65 VanDerWaalsContact C-N 3.26Å; D63-I65 PolarHBondContact O-N 2.82Å; I65-N104 HydrophobicContact CD1-CB 3.89Å; I65-R108 VanDerWaalsContact CG2-CD 3.42Å; I65-R108 PolarHBondContact O-NH1 3.07Å; I65-R108 VanDerWaalsContact O-NH1 3.13Å; I65-R108 PolarHBondContact O-NH2 2.98Å; I65-I110 HydrophobicContact CG2-CD1 3.96Å
66	K	96.9	Very high	94.6	Very high	100 Å²	100	41.5 Å²	41.5	44%	0.435	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	137.6	-173.8	-63.7	-168	-179.4	-172	0	111.9	F49 F50 D63 A68	F49-K66 CarbonylContact C-O 3.55Å; F49-K66 VanDerWaalsContact CA-O 3.23Å; F49-K66 WeakPolarHBondContact CA-O 3.39Å; F50-K66 PolarHBondContact N-O 2.86Å; F50-K66 PolarHBondContact O-N 2.92Å; D63-K66 WeakPolarHBondContact O-CE 3.39Å; D63-K66 WeakPolarHBondContact O-CG 3.23Å; K66-A68 PolarHBondContact O-N 2.84Å
67	E	97.2	Very high	94.5	Very high	110 Å²	110	39.8 Å²	39.8	51%	0.514	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	130.6	173.9	-165.5	164.6	-168.6	0	0	110.2	R47 F49	R47-E67 WeakPolarHBondContact CD-OE1 3.35Å; R47-E67 WeakPolarHBondContact CG-OE1 3.48Å; F49-E67 HydrophobicContact CD1-CB 3.95Å; F49-E67 HydrophobicContact CD1-CG 4.5Å; F49-E67 HydrophobicContact CE1-CB 3.69Å; F49-E67 HydrophobicContact CE1-CG 4.11Å; F49-E67 HydrophobicContact CZ-CB 4.29Å; F49-E67 HydrophobicContact CZ-CG 4.21Å
68	A	96.9	Very high	94.4	Very high	7 Å²	7	41 Å²	41	6%	0.058	22%	0.223	C	C	.	.			trans	-89	147.8	179.7	0	0	0	0	0	110.3	V38 V48 F50 K66	V38-A68 HydrophobicContact CG1-CB 3.77Å; V38-A68 HydrophobicContact CG2-CB 3.87Å; V48-A68 WeakPolarHBondContact O-CB 3.3Å; V48-A68 PolarHBondContact O-N 2.59Å; F50-A68 HydrophobicContact CD1-CB 4.4Å; F50-A68 HydrophobicContact CD2-CB 3.84Å; F50-A68 HydrophobicContact CE1-CB 4.09Å; F50-A68 HydrophobicContact CE2-CB 3.49Å; F50-A68 VanDerWaalsContact CE2-CB 3.49Å; F50-A68 HydrophobicContact CG-CB 4.3Å; F50-A68 HydrophobicContact CZ-CB 3.62Å; K66-A68 PolarHBondContact O-N 2.84Å
69	T	95.5	Very high	94.3	Very high	72 Å²	72	44.7 Å²	44.7	44%	0.442	24%	0.242	S	C	.	.			trans	-113.7	168.4	172.6	68.4	0	0	0	0	110.2	E71 S72	T69-E71 PolarHBondContact O-N 3.21Å; T69-S72 PolarHBondContact N-OG 2.81Å; T69-S72 VanDerWaalsContact N-OG 3.17Å; T69-S72 PolarHBondContact O-N 2.9Å; T69-S72 PolarHBondContact O-OG 2.89Å; T69-S72 PolarHBondContact OG1-N 2.85Å; T69-S72 VanDerWaalsContact OG1-N 3.15Å
70	W	93	Very high	94.1	Very high	28 Å²	28	46.1 Å²	46.1	11%	0.106	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-38.9	175.9	-176.6	-92.7	0	0	0	112.4	R39 I42 I751 L752 K754	R39-W70 HydrophobicContact CB-CE3 4.17Å; R39-W70 HydrophobicContact CB-CH2 3.69Å; R39-W70 HydrophobicContact CB-CZ2 4.44Å; R39-W70 HydrophobicContact CB-CZ3 3.56Å; R39-W70 HydrophobicContact CG-CD2 4.2Å; R39-W70 HydrophobicContact CG-CE3 3.92Å; R39-W70 HydrophobicContact CG-CH2 3.73Å; R39-W70 HydrophobicContact CG-CZ2 4Å; R39-W70 HydrophobicContact CG-CZ3 3.71Å; R39-W70 WeakPolarHBondContact O-CZ3 3.23Å; I42-W70 HydrophobicContact CG2-CE3 4.4Å; W70-I751 VanDerWaalsContact CH2-O 3.27Å; W70-I751 WeakPolarHBondContact CH2-O 3.49Å; W70-L752 VanDerWaalsContact CZ2-O 3.32Å; W70-L752 WeakPolarHBondContact CZ2-O 3.22Å; W70-K754 HydrophobicContact CD2-CB 4.45Å; W70-K754 HydrophobicContact CD2-CD 4.07Å; W70-K754 HydrophobicContact CD2-CG 4.26Å; W70-K754 HydrophobicContact CE3-CG 4.47Å; W70-K754 HydrophobicContact CG-CD 4.21Å; W70-K754 HydrophobicContact CH2-CB 3.89Å; W70-K754 HydrophobicContact CH2-CG 4.26Å; W70-K754 HydrophobicContact CZ2-CB 3.42Å; W70-K754 VanDerWaalsContact CZ2-CB 3.42Å; W70-K754 HydrophobicContact CZ2-CG 4.05Å; W70-K754 HydrophobicContact CZ3-CG 4.44Å
71	E	91.8	Very high	94	Very high	54 Å²	54	43.1 Å²	43.1	25%	0.252	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-26.1	-177.7	-62	72.4	-156.9	0	0	112.5	T69 V73 S74 T619 V620	T69-E71 PolarHBondContact O-N 3.21Å; E71-V73 PolarHBondContact O-N 3.48Å; E71-S74 WeakPolarHBondContact O-CB 3.32Å; E71-S74 PolarHBondContact O-N 3.26Å; E71-T619 WeakPolarHBondContact CB-OG1 3.16Å; E71-T619 WeakPolarHBondContact CG-OG1 3.08Å; E71-V620 HydrophobicContact CB-CG2 4.23Å; E71-V620 HydrophobicContact CG-CG2 4.08Å
72	S	93.4	Very high	94	Very high	42 Å²	42	44.1 Å²	44.1	29%	0.294	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-27.4	-178.2	73.3	0	0	0	0	112.5	F50 T69 M76	F50-S72 WeakPolarHBondContact CE2-OG 3.48Å; F50-S72 WeakPolarHBondContact CZ-OG 3.17Å; T69-S72 PolarHBondContact N-OG 2.81Å; T69-S72 VanDerWaalsContact N-OG 3.17Å; T69-S72 PolarHBondContact O-N 2.9Å; T69-S72 PolarHBondContact O-OG 2.89Å; T69-S72 PolarHBondContact OG1-N 2.85Å; T69-S72 VanDerWaalsContact OG1-N 3.15Å; S72-M76 WeakPolarHBondContact O-CE 3.36Å
73	V	93.9	Very high	94	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	15.5	177.8	-60.7	0	0	0	0	114.9	R35 V38 R39 F50 E71 M76	R35-V73 HydrophobicContact CB-CB 4.08Å; R35-V73 HydrophobicContact CB-CG2 4.41Å; R35-V73 HydrophobicContact CG-CB 4.01Å; R35-V73 HydrophobicContact CG-CG2 3.9Å; V38-V73 HydrophobicContact CB-CG1 3.79Å; V38-V73 HydrophobicContact CB-CG2 4.27Å; V38-V73 HydrophobicContact CG1-CG1 3.87Å; V38-V73 HydrophobicContact CG1-CG2 4.03Å; V38-V73 HydrophobicContact CG2-CG1 3.8Å; R39-V73 HydrophobicContact CG-CG2 3.82Å; F50-V73 HydrophobicContact CE1-CG1 3.97Å; F50-V73 HydrophobicContact CZ-CG1 3.55Å; E71-V73 PolarHBondContact O-N 3.48Å; V73-M76 VanDerWaalsContact CA-SD 3.5Å; V73-M76 HydrophobicContact CB-SD 3.79Å; V73-M76 HydrophobicContact CG1-CE 4.46Å; V73-M76 HydrophobicContact CG1-SD 3.78Å
74	S	89.8	Confident	94.1	Very high	24 Å²	24	38.3 Å²	38.3	17%	0.168	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	143.6	174.9	-163	0	0	0	0	111.1	E71 M76 V620 R622	E71-S74 WeakPolarHBondContact O-CB 3.32Å; E71-S74 PolarHBondContact O-N 3.26Å; S74-M76 PolarHBondContact O-N 3.47Å; S74-V620 WeakPolarHBondContact OG-CG1 3.42Å; S74-V620 VanDerWaalsContact OG-CG2 3.31Å; S74-V620 WeakPolarHBondContact OG-CG2 3.41Å; S74-R622 PolarHBondContact OG-NH2 2.92Å
75	M	87.8	Confident	94	Very high	49 Å²	49	35.8 Å²	35.8	24%	0.241	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	12.5	-176.4	-67.3	-57.4	-99.2	0	0	116.3	Q78 L79 K557 R622	M75-Q78 PolarHBondContact O-NE2 3.42Å; M75-Q78 PolarHBondContact O-OE1 3.11Å; M75-Q78 VanDerWaalsContact O-OE1 3.09Å; M75-Q78 PolarHBondContact SD-NE2 3.46Å; M75-Q78 VanDerWaalsContact SD-NE2 3.38Å; M75-L79 WeakPolarHBondContact O-CG 3.4Å; M75-K557 HydrophobicContact CE-CB 4.26Å; M75-R622 PolarHBondContact SD-NE 2.82Å; M75-R622 PolarHBondContact SD-NH2 3.29Å
76	M	93.3	Very high	93.7	Very high	23 Å²	23	37.5 Å²	37.5	11%	0.113	21%	0.214	C	C	.	.			trans	-80.2	-23.1	-179.2	-70.1	-171.8	171.3	0	0	114.4	N31 S72 V73 S74 Q78 L79 V83	N31-M76 HydrophobicContact CB-CB 4.28Å; N31-M76 VanDerWaalsContact CB-O 3.3Å; N31-M76 WeakPolarHBondContact CB-O 3.27Å; S72-M76 WeakPolarHBondContact O-CE 3.36Å; V73-M76 VanDerWaalsContact CA-SD 3.5Å; V73-M76 HydrophobicContact CB-SD 3.79Å; V73-M76 HydrophobicContact CG1-CE 4.46Å; V73-M76 HydrophobicContact CG1-SD 3.78Å; S74-M76 PolarHBondContact O-N 3.47Å; M76-Q78 VanDerWaalsContact C-N 3.3Å; M76-Q78 PolarHBondContact O-N 3.29Å; M76-L79 PolarHBondContact O-N 3.16Å; M76-V83 HydrophobicContact CE-CB 3.92Å; M76-V83 HydrophobicContact CE-CG1 4.23Å; M76-V83 HydrophobicContact CE-CG2 3.41Å; M76-V83 VanDerWaalsContact CE-CG2 3.41Å; M76-V83 HydrophobicContact CG-CG1 4.25Å; M76-V83 HydrophobicContact CG-CG2 4.32Å; M76-V83 HydrophobicContact SD-CB 4.37Å; M76-V83 HydrophobicContact SD-CG1 4.42Å; M76-V83 HydrophobicContact SD-CG2 3.44Å; M76-V83 WeakPolarHBondContact SD-CG2 3.29Å
77	L	93.8	Very high	93.3	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.021	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-36.6	-173.1	-77.6	171.9	0	0	0	114	A32 P305 R310 A588	A32-L77 HydrophobicContact CB-CD2 3.64Å; L77-P305 WeakPolarHBondContact O-CG 3.5Å; L77-R310 WeakPolarHBondContact O-CD 3.34Å; L77-R310 WeakPolarHBondContact O-CG 3.31Å; L77-R310 PolarHBondContact O-NE 3.28Å; L77-A588 WeakPolarHBondContact CD1-O 3.44Å
78	Q	93.3	Very high	92.8	Very high	26 Å²	26	40.6 Å²	40.6	12%	0.121	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-3.2	-177.3	73.8	-78.7	5	0	0	114	M75 M76 T304 D554	M75-Q78 PolarHBondContact O-NE2 3.42Å; M75-Q78 PolarHBondContact O-OE1 3.11Å; M75-Q78 VanDerWaalsContact O-OE1 3.09Å; M75-Q78 PolarHBondContact SD-NE2 3.46Å; M75-Q78 VanDerWaalsContact SD-NE2 3.38Å; M76-Q78 VanDerWaalsContact C-N 3.3Å; M76-Q78 PolarHBondContact O-N 3.29Å; Q78-T304 HydrophobicContact CB-CG2 4.37Å; Q78-T304 WeakPolarHBondContact O-CG2 3.34Å; Q78-T304 PolarHBondContact O-OG1 3.31Å; Q78-T304 VanDerWaalsContact O-OG1 3.1Å; Q78-D554 WeakPolarHBondContact CB-OD2 3.41Å
79	L	94.5	Very high	92.4	Very high	77 Å²	77	41.1 Å²	41.1	40%	0.403	23%	0.227	S	C	.	.			trans	-81.9	135.7	179.5	-59.8	179.7	0	0	0	110.1	N31 M75 M76 V83	N31-L79 PolarHBondContact ND2-O 2.92Å; M75-L79 WeakPolarHBondContact O-CG 3.4Å; M76-L79 PolarHBondContact O-N 3.16Å; L79-V83 HydrophobicContact CD1-CG1 3.81Å
80	G	93	Very high	92.1	Very high	33 Å²	33	45.9 Å²	45.9	34%	0.34	24%	0.242	S	C	.	.			trans	-73.9	171.5	170.4	0	0	0	0	0	112.9	N31 G303	N31-G80 PolarHBondContact ND2-O 2.91Å; N31-G80 VanDerWaalsContact ND2-O 3.14Å; G80-G303 WeakPolarHBondContact CA-O 3.32Å
81	G	93.8	Very high	92	Very high	10 Å²	10	47.4 Å²	47.4	10%	0.103	25%	0.252	C	S	.	.	S	Bend	trans	60.4	-145.4	179	0	0	0	0	0	113.3	D26 N31	D26-G81 WeakPolarHBondContact OD2-CA 3.45Å; N31-G81 PolarHBondContact ND2-O 3.09Å; N31-G81 VanDerWaalsContact ND2-O 3.09Å
82	T	94.8	Very high	92	Very high	23 Å²	23	45.4 Å²	45.4	14%	0.141	24%	0.242	C	C	.	.			trans	-127.2	124.8	173.3	172.9	0	0	0	0	111.4	T22 D26 N31 I84 G85	T22-T82 WeakPolarHBondContact CG2-OG1 3.42Å; T22-T82 WeakPolarHBondContact OG1-CB 3.18Å; T22-T82 WeakPolarHBondContact OG1-CG2 3.31Å; T22-T82 PolarHBondContact OG1-OG1 2.76Å; D26-T82 HydrophobicContact CB-CG2 4.46Å; N31-T82 WeakPolarHBondContact OD1-CA 3.03Å; T82-I84 PolarHBondContact O-N 2.85Å; T82-I84 WeakPolarHBondContact OG1-CG1 3.46Å; T82-I84 PolarHBondContact OG1-N 3.28Å; T82-G85 PolarHBondContact O-N 2.71Å
83	V	94	Very high	91.8	Very high	52 Å²	52	53 Å²	53	32%	0.315	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-17.5	177	-68.4	0	0	0	0	114	N31 M76 L79	N31-V83 WeakPolarHBondContact OD1-CG1 3.4Å; N31-V83 VanDerWaalsContact OD1-CG2 3.23Å; N31-V83 WeakPolarHBondContact OD1-CG2 3.15Å; N31-V83 PolarHBondContact OD1-N 2.83Å; M76-V83 HydrophobicContact CE-CB 3.92Å; M76-V83 HydrophobicContact CE-CG1 4.23Å; M76-V83 HydrophobicContact CE-CG2 3.41Å; M76-V83 VanDerWaalsContact CE-CG2 3.41Å; M76-V83 HydrophobicContact CG-CG1 4.25Å; M76-V83 HydrophobicContact CG-CG2 4.32Å; M76-V83 HydrophobicContact SD-CB 4.37Å; M76-V83 HydrophobicContact SD-CG1 4.42Å; M76-V83 HydrophobicContact SD-CG2 3.44Å; M76-V83 WeakPolarHBondContact SD-CG2 3.29Å; L79-V83 HydrophobicContact CD1-CG1 3.81Å
84	I	95.7	Very high	91.8	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.01	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	4.4	176.3	64.9	178.3	0	0	0	112.1	T22 V34 F50 H52 E53 T82	T22-I84 HydrophobicContact CG2-CD1 4.17Å; T22-I84 HydrophobicContact CG2-CG1 4.25Å; T22-I84 VanDerWaalsContact OG1-CG1 3.25Å; T22-I84 WeakPolarHBondContact OG1-CG1 3.33Å; V34-I84 HydrophobicContact CG2-CD1 4.08Å; F50-I84 HydrophobicContact CB-CG2 4.06Å; F50-I84 HydrophobicContact CD1-CG2 3.65Å; F50-I84 HydrophobicContact CE1-CG2 4.2Å; F50-I84 HydrophobicContact CG-CG2 3.9Å; H52-I84 CarbonylContact C-O 3.55Å; H52-I84 WeakPolarHBondContact CA-O 3.42Å; E53-I84 PolarHBondContact N-O 3.48Å; T82-I84 PolarHBondContact O-N 2.85Å; T82-I84 WeakPolarHBondContact OG1-CG1 3.46Å; T82-I84 PolarHBondContact OG1-N 3.28Å
85	G	94	Very high	92	Very high	15 Å²	15	63 Å²	63	16%	0.155	31%	0.305	C	S	.	.			trans	73.7	168.8	177.6	0	0	0	0	0	113.6	T22 T82	T22-G85 PolarHBondContact OG1-O 2.92Å; T82-G85 PolarHBondContact O-N 2.71Å
86	S	91.5	Very high	92.3	Very high	36 Å²	36	65.8 Å²	65.8	25%	0.252	32%	0.317	S	S	.	.			trans	-155.1	114.7	175.3	-157.5	0	0	0	0	109.9	T22 S23 G24	T22-S86 WeakPolarHBondContact O-CB 3.3Å; T22-S86 PolarHBondContact O-OG 3.22Å; S23-S86 WeakPolarHBondContact CA-OG 3.08Å; G24-S86 PolarHBondContact N-OG 2.99Å; G24-S86 PolarHBondContact O-OG 2.75Å
87	A	89	Confident	92.4	Very high	29 Å²	29	64.7 Å²	64.7	24%	0.24	31%	0.312	C	S	.	.			trans	-112.9	148.2	177.9	0	0	0	0	0	111.4	E53 Q56 C89	E53-A87 HydrophobicContact CB-CB 3.99Å; E53-A87 WeakPolarHBondContact O-CB 3.4Å; E53-A87 PolarHBondContact O-N 3.34Å; Q56-A87 HydrophobicContact CB-CB 4.01Å; A87-C89 PolarHBondContact O-N 2.83Å
88	R	85.2	Confident	92.6	Very high	247 Å²	247	65.8 Å²	65.8	93%	0.932	32%	0.315	S	S	*	.			trans	-70.4	119.4	167.4	-69.4	-176.4	-179.8	-179	0.1	108.4
89	C	88.9	Confident	92.7	Very high	18 Å²	18	65.3 Å²	65.3	12%	0.122	31%	0.314	C	S	.	.			trans	-101.4	112.8	177.8	-170.1	0	0	0	0	110.4	Q56 A87 F92	Q56-C89 HydrophobicContact CB-CB 4.2Å; Q56-C89 PolarHBondContact OE1-SG 2.96Å; A87-C89 PolarHBondContact O-N 2.83Å; C89-F92 HydrophobicContact CB-CB 4.11Å; C89-F92 VanDerWaalsContact SG-CB 3.52Å; C89-F92 PolarHBondContact SG-N 2.86Å
90	K	89	Confident	92.8	Very high	172 Å²	172	65.8 Å²	65.8	75%	0.748	31%	0.31	S	S	*	.	S	Bend	trans	-76.1	-42.6	171	-69.6	-175.8	-178.7	179.1	0	110.3	F92 R93	K90-F92 VanDerWaalsContact C-N 3.29Å; K90-F92 PolarHBondContact O-N 3.12Å; K90-R93 VanDerWaalsContact O-CB 3.25Å; K90-R93 WeakPolarHBondContact O-CB 3.29Å; K90-R93 PolarHBondContact O-N 2.85Å
91	D	90.7	Very high	93	Very high	59 Å²	59	64.2 Å²	64.2	32%	0.316	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-56.6	-40.1	-175.7	-65.2	8.9	0	0	0	112.9	V59 R93 E94 G97 R100	V59-D91 HydrophobicContact CG1-CB 4.1Å; D91-R93 PolarHBondContact O-N 2.94Å; D91-E94 WeakPolarHBondContact O-CA 3.12Å; D91-E94 WeakPolarHBondContact O-CB 3.42Å; D91-E94 PolarHBondContact O-N 3.42Å; D91-E94 VanDerWaalsContact O-O 3.09Å; D91-G97 WeakPolarHBondContact O-CA 3.46Å; D91-R100 IonicContact OD2-CZ 3.02Å; D91-R100 IonicContact OD2-NH1 3.08Å; D91-R100 IonicContact OD2-NH2 3.7Å; D91-R100 PolarHBondContact OD2-NH2 3.33Å
92	F	92.5	Very high	93.2	Very high	13 Å²	13	63.7 Å²	63.7	6%	0.057	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-68.3	-14.6	-179.3	-160.2	-99.2	0	0	0	113.7	Y55 L58 V59 C89 K90 E94 R98 A101 F128	Y55-F92 AromaticContact CD1-CD1 3.67Å; Y55-F92 HydrophobicContact CD1-CD1 3.67Å; Y55-F92 AromaticContact CD1-CD2 3.95Å; Y55-F92 HydrophobicContact CD1-CD2 3.95Å; Y55-F92 AromaticContact CD1-CE1 3.48Å; Y55-F92 HydrophobicContact CD1-CE1 3.48Å; Y55-F92 VanDerWaalsContact CD1-CE1 3.48Å; Y55-F92 AromaticContact CD1-CE2 3.77Å; Y55-F92 HydrophobicContact CD1-CE2 3.77Å; Y55-F92 AromaticContact CD1-CG 3.89Å; Y55-F92 HydrophobicContact CD1-CG 3.89Å; Y55-F92 AromaticContact CD1-CZ 3.53Å; Y55-F92 HydrophobicContact CD1-CZ 3.53Å; Y55-F92 HydrophobicContact CD2-CD1 4.36Å; Y55-F92 HydrophobicContact CE1-CD1 4.02Å; Y55-F92 AromaticContact CE1-CE1 3.41Å; Y55-F92 HydrophobicContact CE1-CE1 3.41Å; Y55-F92 VanDerWaalsContact CE1-CE1 3.41Å; Y55-F92 HydrophobicContact CE1-CE2 4.21Å; Y55-F92 AromaticContact CE1-CZ 3.52Å; Y55-F92 HydrophobicContact CE1-CZ 3.52Å; Y55-F92 AromaticContact CG-CD1 3.87Å; Y55-F92 HydrophobicContact CG-CD1 3.87Å; Y55-F92 HydrophobicContact CG-CD2 4.44Å; Y55-F92 HydrophobicContact CG-CE1 4.14Å; Y55-F92 HydrophobicContact CG-CG 4.03Å; L58-F92 HydrophobicContact CD2-CE2 3.99Å; L58-F92 HydrophobicContact CD2-CZ 4.44Å; V59-F92 HydrophobicContact CG2-CB 4.16Å; V59-F92 HydrophobicContact CG2-CD2 3.75Å; V59-F92 HydrophobicContact CG2-CG 4.46Å; C89-F92 HydrophobicContact CB-CB 4.11Å; C89-F92 VanDerWaalsContact SG-CB 3.52Å; C89-F92 PolarHBondContact SG-N 2.86Å; K90-F92 VanDerWaalsContact C-N 3.29Å; K90-F92 PolarHBondContact O-N 3.12Å; F92-E94 VanDerWaalsContact C-N 3.3Å; F92-R98 HydrophobicContact CD1-CG 4.24Å; F92-R98 HydrophobicContact CD2-CG 3.95Å; F92-R98 HydrophobicContact CE1-CG 4.17Å; F92-R98 HydrophobicContact CE2-CB 4.5Å; F92-R98 HydrophobicContact CE2-CG 3.9Å; F92-R98 HydrophobicContact CG-CG 4.13Å; F92-R98 HydrophobicContact CZ-CG 4.02Å; F92-R98 WeakPolarHBondContact O-CG 3.13Å; F92-R98 PolarHBondContact O-NH1 3.43Å; F92-A101 HydrophobicContact CD2-CB 4.08Å; F92-A101 HydrophobicContact CE2-CB 3.65Å; F92-F128 HydrophobicContact CE1-CB 4.22Å; F92-F128 HydrophobicContact CE1-CG 4.46Å; F92-F128 HydrophobicContact CE2-CD2 4.08Å; F92-F128 HydrophobicContact CE2-CE2 4.16Å; F92-F128 HydrophobicContact CE2-CG 4.29Å; F92-F128 HydrophobicContact CE2-CZ 4.42Å; F92-F128 HydrophobicContact CZ-CB 3.78Å; F92-F128 AromaticContact CZ-CD1 3.98Å; F92-F128 HydrophobicContact CZ-CD1 3.98Å; F92-F128 AromaticContact CZ-CD2 3.72Å; F92-F128 HydrophobicContact CZ-CD2 3.72Å; F92-F128 HydrophobicContact CZ-CE1 4.45Å; F92-F128 HydrophobicContact CZ-CE2 4.23Å; F92-F128 AromaticContact CZ-CG 3.57Å; F92-F128 HydrophobicContact CZ-CG 3.57Å
93	R	89.9	Confident	93.3	Very high	201 Å²	201	66.7 Å²	66.7	76%	0.758	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-71.7	-30.2	170.1	-60.2	-176.1	174.5	-164.3	-5.4	111.5	K90 D91 R98	K90-R93 VanDerWaalsContact O-CB 3.25Å; K90-R93 WeakPolarHBondContact O-CB 3.29Å; K90-R93 PolarHBondContact O-N 2.85Å; D91-R93 PolarHBondContact O-N 2.94Å; R93-R98 VanDerWaalsContact C-NH1 3.27Å; R93-R98 PolarHBondContact O-NH1 3.16Å
94	E	93.4	Very high	93.4	Very high	133 Å²	133	65.2 Å²	65.2	62%	0.621	29%	0.289	S	S	*	.	S	Bend	trans	-84.7	146.5	174.3	-58.1	-56.6	146.8	0	0	110.5	D91 F92 E96 G97 R98	D91-E94 WeakPolarHBondContact O-CA 3.12Å; D91-E94 WeakPolarHBondContact O-CB 3.42Å; D91-E94 PolarHBondContact O-N 3.42Å; D91-E94 VanDerWaalsContact O-O 3.09Å; F92-E94 VanDerWaalsContact C-N 3.3Å; E94-E96 PolarHBondContact O-N 3.04Å; E94-G97 PolarHBondContact O-N 3.11Å; E94-G97 VanDerWaalsContact O-N 3.15Å; E94-R98 PolarHBondContact O-N 2.89Å; E94-R98 PolarHBondContact O-NH1 3.34Å
95	R	94.1	Very high	93.5	Very high	102 Å²	102	65.1 Å²	65.1	39%	0.385	29%	0.288	S	S	.	.	H	α-helix	trans	-60.5	-32.6	178.6	-169.3	171.8	-177.9	-88.4	0.4	112.2	G97 R98 L99 L135 D138	R95-G97 PolarHBondContact O-N 2.88Å; R95-R98 PolarHBondContact O-N 2.78Å; R95-L99 WeakPolarHBondContact O-CB 3.25Å; R95-L99 PolarHBondContact O-N 2.91Å; R95-L135 HydrophobicContact CG-CD2 4.17Å; R95-D138 IonicContact CZ-OD2 3.43Å; R95-D138 IonicContact NH1-OD2 2.67Å; R95-D138 PolarHBondContact NH1-OD2 3.1Å; R95-D138 IonicContact NH2-OD2 2.67Å; R95-D138 PolarHBondContact NH2-OD2 3.08Å
96	E	94.4	Very high	93.6	Very high	106 Å²	106	64.7 Å²	64.7	50%	0.495	28%	0.282	S	S	.	.	H	α-helix	trans	-64.1	-37.8	177	-175.4	59.4	-160.5	0	0	112.7	E94 L99 R100	E94-E96 PolarHBondContact O-N 3.04Å; E96-L99 WeakPolarHBondContact O-CB 3.28Å; E96-L99 PolarHBondContact O-N 3.05Å; E96-R100 PolarHBondContact O-N 3.36Å
97	G	95.5	Very high	93.8	Very high	1 Å²	1	67 Å²	67	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-65.2	-43	173.4	0	0	0	0	0	111.5	D91 E94 R95 L99 R100 A101	D91-G97 WeakPolarHBondContact O-CA 3.46Å; E94-G97 PolarHBondContact O-N 3.11Å; E94-G97 VanDerWaalsContact O-N 3.15Å; R95-G97 PolarHBondContact O-N 2.88Å; G97-L99 VanDerWaalsContact C-N 3.32Å; G97-L99 PolarHBondContact O-N 3.2Å; G97-R100 PolarHBondContact O-N 3.3Å; G97-A101 WeakPolarHBondContact O-CB 3.44Å; G97-A101 PolarHBondContact O-N 3.11Å
98	R	96.6	Very high	94	Very high	26 Å²	26	69.3 Å²	69.3	10%	0.098	29%	0.29	C	S	.	.	H	α-helix	trans	-62.8	-37.8	174.7	-64.8	-168	-65	-84.7	11	112.2	F92 R93 E94 R95 A101 A102 F128 E131 L135	F92-R98 HydrophobicContact CD1-CG 4.24Å; F92-R98 HydrophobicContact CD2-CG 3.95Å; F92-R98 HydrophobicContact CE1-CG 4.17Å; F92-R98 HydrophobicContact CE2-CB 4.5Å; F92-R98 HydrophobicContact CE2-CG 3.9Å; F92-R98 HydrophobicContact CG-CG 4.13Å; F92-R98 HydrophobicContact CZ-CG 4.02Å; F92-R98 WeakPolarHBondContact O-CG 3.13Å; F92-R98 PolarHBondContact O-NH1 3.43Å; R93-R98 VanDerWaalsContact C-NH1 3.27Å; R93-R98 PolarHBondContact O-NH1 3.16Å; E94-R98 PolarHBondContact O-N 2.89Å; E94-R98 PolarHBondContact O-NH1 3.34Å; R95-R98 PolarHBondContact O-N 2.78Å; R98-A101 WeakPolarHBondContact O-CB 3.37Å; R98-A101 PolarHBondContact O-N 3.2Å; R98-A102 WeakPolarHBondContact O-CB 3.5Å; R98-A102 PolarHBondContact O-N 3.02Å; R98-F128 HydrophobicContact CB-CD2 3.96Å; R98-F128 HydrophobicContact CB-CE2 4.08Å; R98-F128 HydrophobicContact CG-CD2 4.14Å; R98-F128 WeakPolarHBondContact O-CE2 3.12Å; R98-E131 IonicContact CZ-OE1 2.76Å; R98-E131 IonicContact CZ-OE2 2.61Å; R98-E131 VanDerWaalsContact CZ-OE2 3.28Å; R98-E131 IonicContact NE-OE1 3.84Å; R98-E131 IonicContact NE-OE2 3.11Å; R98-E131 PolarHBondContact NE-OE2 2.87Å; R98-E131 IonicContact NH2-OE1 3.99Å; R98-E131 PolarHBondContact NH2-OE1 2.97Å; R98-E131 IonicContact NH2-OE2 2.75Å; R98-E131 PolarHBondContact NH2-OE2 2.99Å; R98-L135 HydrophobicContact CB-CD1 4.03Å; R98-L135 HydrophobicContact CB-CD2 4.4Å
99	L	96.5	Very high	94.5	Very high	17 Å²	17	59.1 Å²	59.1	9%	0.089	26%	0.263	C	S	.	.	H	α-helix	trans	-61	-45.4	174.6	-168.4	73.5	0	0	0	111.9	R95 E96 G97 A102 Y103 L135 D138 L139	R95-L99 WeakPolarHBondContact O-CB 3.25Å; R95-L99 PolarHBondContact O-N 2.91Å; E96-L99 WeakPolarHBondContact O-CB 3.28Å; E96-L99 PolarHBondContact O-N 3.05Å; G97-L99 VanDerWaalsContact C-N 3.32Å; G97-L99 PolarHBondContact O-N 3.2Å; L99-A102 PolarHBondContact O-N 3.08Å; L99-Y103 PolarHBondContact O-N 3.02Å; L99-L135 HydrophobicContact CB-CD2 4.21Å; L99-L135 HydrophobicContact CD1-CB 4.34Å; L99-L135 HydrophobicContact CD1-CD2 3.97Å; L99-L135 WeakPolarHBondContact CD1-O 3.41Å; L99-D138 HydrophobicContact CD1-CB 4.03Å; L99-L139 HydrophobicContact CD1-CD1 4.49Å; L99-L139 HydrophobicContact CD1-CD2 3.83Å; L99-L139 HydrophobicContact CD1-CG 3.69Å; L99-L139 HydrophobicContact CD2-CD2 4.44Å; L99-L139 HydrophobicContact CG-CD2 3.8Å; L99-L139 HydrophobicContact CG-CG 4.22Å
100	R	96.6	Very high	94.9	Very high	86 Å²	86	58.3 Å²	58.3	33%	0.325	26%	0.257	S	S	.	.	H	α-helix	trans	-62.6	-43.3	174.1	-72.7	-170.1	-71.5	155.6	-4	112.2	V59 D91 E96 G97 Y103 N104	V59-R100 HydrophobicContact CG1-CB 4.24Å; V59-R100 VanDerWaalsContact CG1-NH2 3.28Å; D91-R100 IonicContact OD2-CZ 3.02Å; D91-R100 IonicContact OD2-NH1 3.08Å; D91-R100 IonicContact OD2-NH2 3.7Å; D91-R100 PolarHBondContact OD2-NH2 3.33Å; E96-R100 PolarHBondContact O-N 3.36Å; G97-R100 PolarHBondContact O-N 3.3Å; R100-Y103 WeakPolarHBondContact O-CB 3.4Å; R100-Y103 PolarHBondContact O-N 3.17Å; R100-N104 VanDerWaalsContact O-CG 3.26Å; R100-N104 PolarHBondContact O-N 3.25Å; R100-N104 PolarHBondContact O-ND2 3.33Å
101	A	97.2	Very high	95.1	Very high	0 Å²	0	51 Å²	51	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.8	-45.6	175.6	0	0	0	0	0	112.6	L58 V59 F92 G97 R98 Y103 N104 L105 F128	L58-A101 HydrophobicContact CB-CB 4.47Å; L58-A101 HydrophobicContact CD2-CB 3.92Å; L58-A101 HydrophobicContact CG-CB 3.75Å; L58-A101 WeakPolarHBondContact O-CA 3.45Å; V59-A101 HydrophobicContact CG2-CB 4.29Å; F92-A101 HydrophobicContact CD2-CB 4.08Å; F92-A101 HydrophobicContact CE2-CB 3.65Å; G97-A101 WeakPolarHBondContact O-CB 3.44Å; G97-A101 PolarHBondContact O-N 3.11Å; R98-A101 WeakPolarHBondContact O-CB 3.37Å; R98-A101 PolarHBondContact O-N 3.2Å; A101-Y103 PolarHBondContact O-N 3.17Å; A101-N104 PolarHBondContact O-N 2.9Å; A101-L105 WeakPolarHBondContact O-CG 3.4Å; A101-L105 PolarHBondContact O-N 2.98Å; A101-L105 VanDerWaalsContact O-N 3.11Å; A101-F128 HydrophobicContact CB-CE2 4.15Å; A101-F128 HydrophobicContact CB-CZ 3.9Å
102	A	97.2	Very high	95.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.7	-45.3	176.3	0	0	0	0	0	111.3	R98 L99 N104 L105 V106 F128 W132 L135 L139	R98-A102 WeakPolarHBondContact O-CB 3.5Å; R98-A102 PolarHBondContact O-N 3.02Å; L99-A102 PolarHBondContact O-N 3.08Å; A102-N104 VanDerWaalsContact C-N 3.34Å; A102-N104 PolarHBondContact O-N 3.15Å; A102-L105 PolarHBondContact O-N 3.34Å; A102-V106 VanDerWaalsContact O-CG2 3.24Å; A102-V106 WeakPolarHBondContact O-CG2 3.31Å; A102-V106 PolarHBondContact O-N 3.37Å; A102-F128 HydrophobicContact CB-CE2 4.18Å; A102-F128 HydrophobicContact CB-CZ 4.19Å; A102-W132 HydrophobicContact CB-CE3 4.22Å; A102-W132 HydrophobicContact CB-CH2 4.22Å; A102-W132 HydrophobicContact CB-CZ3 3.7Å; A102-L135 HydrophobicContact CB-CB 4.13Å; A102-L135 HydrophobicContact CB-CD1 4.26Å; A102-L139 HydrophobicContact CB-CD1 4.03Å
103	Y	97.1	Very high	95.7	Very high	85 Å²	85	47.7 Å²	47.7	33%	0.333	21%	0.21	S	C	.	.	H	α-helix	trans	-54.8	-48.2	174.8	172.5	-96.6	0	0	0	112.2	L99 R100 A101 L105 V106 K107 L139 K144 I145	L99-Y103 PolarHBondContact O-N 3.02Å; R100-Y103 WeakPolarHBondContact O-CB 3.4Å; R100-Y103 PolarHBondContact O-N 3.17Å; A101-Y103 PolarHBondContact O-N 3.17Å; Y103-L105 VanDerWaalsContact C-N 3.34Å; Y103-L105 PolarHBondContact O-N 2.96Å; Y103-V106 PolarHBondContact O-N 3.34Å; Y103-K107 HydrophobicContact CD1-CG 4.43Å; Y103-K107 HydrophobicContact CD2-CG 4.21Å; Y103-K107 HydrophobicContact CE1-CG 4.05Å; Y103-K107 HydrophobicContact CE2-CD 4.2Å; Y103-K107 HydrophobicContact CE2-CG 3.84Å; Y103-K107 HydrophobicContact CG-CG 4.5Å; Y103-K107 WeakPolarHBondContact O-CG 3.42Å; Y103-K107 PolarHBondContact O-N 3.17Å; Y103-L139 HydrophobicContact CD2-CD2 4.36Å; Y103-K144 HydrophobicContact CD2-CB 3.96Å; Y103-K144 HydrophobicContact CE2-CB 3.99Å; Y103-K144 WeakPolarHBondContact CE2-O 3.22Å; Y103-I145 HydrophobicContact CD2-CG2 4.15Å
104	N	97.3	Very high	96.1	Very high	22 Å²	22	38.1 Å²	38.1	12%	0.118	17%	0.173	C	C	.	.	H	α-helix	trans	-63.8	-37.4	-178.5	-68.5	-30.4	0	0	0	113.1	L58 V59 G61 I65 R100 A101 A102	L58-N104 PolarHBondContact O-ND2 3.37Å; V59-N104 PolarHBondContact O-ND2 3.45Å; G61-N104 VanDerWaalsContact CA-ND2 3.27Å; G61-N104 WeakPolarHBondContact CA-ND2 3.32Å; G61-N104 PolarHBondContact N-ND2 2.93Å; I65-N104 HydrophobicContact CD1-CB 3.89Å; R100-N104 VanDerWaalsContact O-CG 3.26Å; R100-N104 PolarHBondContact O-N 3.25Å; R100-N104 PolarHBondContact O-ND2 3.33Å; A101-N104 PolarHBondContact O-N 2.9Å; A102-N104 VanDerWaalsContact C-N 3.34Å; A102-N104 PolarHBondContact O-N 3.15Å
105	L	97	Very high	96.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-68.8	-47.5	175.7	-71.3	-178.9	0	0	0	111.7	A19 L58 A101 A102 Y103 K107 R108 G109 I110 F128 W132 L156	A19-L105 HydrophobicContact CB-CD2 4.34Å; L58-L105 HydrophobicContact CD1-CD1 4.15Å; L58-L105 HydrophobicContact CD1-CD2 3.62Å; L58-L105 HydrophobicContact CD1-CG 3.83Å; A101-L105 WeakPolarHBondContact O-CG 3.4Å; A101-L105 PolarHBondContact O-N 2.98Å; A101-L105 VanDerWaalsContact O-N 3.11Å; A102-L105 PolarHBondContact O-N 3.34Å; Y103-L105 VanDerWaalsContact C-N 3.34Å; Y103-L105 PolarHBondContact O-N 2.96Å; L105-K107 PolarHBondContact O-N 3.15Å; L105-R108 CarbonylContact O-C 3.59Å; L105-R108 PolarHBondContact O-N 3.16Å; L105-R108 VanDerWaalsContact O-N 3.09Å; L105-G109 PolarHBondContact O-N 3.45Å; L105-G109 VanDerWaalsContact O-N 3.12Å; L105-I110 HydrophobicContact CB-CB 4.36Å; L105-I110 HydrophobicContact CD2-CB 3.88Å; L105-I110 HydrophobicContact CD2-CD1 4Å; L105-I110 HydrophobicContact CD2-CG2 3.78Å; L105-I110 PolarHBondContact O-N 3.27Å; L105-F128 HydrophobicContact CD1-CE1 3.82Å; L105-F128 HydrophobicContact CD1-CZ 4.18Å; L105-W132 HydrophobicContact CB-CH2 4.06Å; L105-W132 HydrophobicContact CD1-CH2 4.09Å; L105-W132 HydrophobicContact CD1-CZ3 4.11Å; L105-L156 HydrophobicContact CD1-CD1 4.43Å
106	V	96.3	Very high	96.4	Very high	5 Å²	5	26.9 Å²	26.9	3%	0.03	13%	0.126	C	C	.	.	H	α-helix	trans	-59.7	-44.9	179.9	172.2	0	0	0	0	111.1	A102 Y103 R108 G109 W132 L136 I145 E149	A102-V106 VanDerWaalsContact O-CG2 3.24Å; A102-V106 WeakPolarHBondContact O-CG2 3.31Å; A102-V106 PolarHBondContact O-N 3.37Å; Y103-V106 PolarHBondContact O-N 3.34Å; V106-R108 PolarHBondContact O-N 3.48Å; V106-R108 VanDerWaalsContact O-N 3.1Å; V106-G109 PolarHBondContact O-N 2.76Å; V106-W132 HydrophobicContact CG2-CH2 4.21Å; V106-W132 HydrophobicContact CG2-CZ2 4.07Å; V106-L136 HydrophobicContact CG2-CD2 3.52Å; V106-I145 HydrophobicContact CB-CG2 4.47Å; V106-I145 HydrophobicContact CG1-CB 4.39Å; V106-I145 HydrophobicContact CG1-CG2 3.87Å; V106-E149 HydrophobicContact CG1-CB 3.81Å
107	K	95	Very high	96.4	Very high	84 Å²	84	21.9 Å²	21.9	37%	0.365	10%	0.102	S	C	.	.	H	α-helix	trans	-62.4	-19.3	178.3	-70.5	-55.9	-177.6	-168.7	0	114.3	Y103 L105 K144 E149	Y103-K107 HydrophobicContact CD1-CG 4.43Å; Y103-K107 HydrophobicContact CD2-CG 4.21Å; Y103-K107 HydrophobicContact CE1-CG 4.05Å; Y103-K107 HydrophobicContact CE2-CD 4.2Å; Y103-K107 HydrophobicContact CE2-CG 3.84Å; Y103-K107 HydrophobicContact CG-CG 4.5Å; Y103-K107 WeakPolarHBondContact O-CG 3.42Å; Y103-K107 PolarHBondContact O-N 3.17Å; L105-K107 PolarHBondContact O-N 3.15Å; K107-K144 VanDerWaalsContact CE-O 3.22Å; K107-K144 WeakPolarHBondContact CE-O 3.25Å; K107-K144 PolarHBondContact NZ-O 2.89Å; K107-E149 WeakPolarHBondContact CD-OE1 3.41Å; K107-E149 VanDerWaalsContact NZ-CD 3.25Å; K107-E149 IonicContact NZ-OE1 2.67Å; K107-E149 PolarHBondContact NZ-OE1 3.14Å; K107-E149 IonicContact NZ-OE2 2.71Å; K107-E149 PolarHBondContact NZ-OE2 2.99Å
108	R	94.5	Very high	96.1	Very high	78 Å²	78	22.3 Å²	22.3	29%	0.294	11%	0.107	S	C	.	.	H	α-helix	trans	-100.6	-3	174.8	-66.8	177.9	176.2	-84.5	4.9	112.9	R47 G62 I65 L105 V106 I110	R47-R108 PolarHBondContact NH2-O 2.99Å; G62-R108 PolarHBondContact O-NH2 2.79Å; I65-R108 VanDerWaalsContact CG2-CD 3.42Å; I65-R108 PolarHBondContact O-NH1 3.07Å; I65-R108 VanDerWaalsContact O-NH1 3.13Å; I65-R108 PolarHBondContact O-NH2 2.98Å; L105-R108 CarbonylContact O-C 3.59Å; L105-R108 PolarHBondContact O-N 3.16Å; L105-R108 VanDerWaalsContact O-N 3.09Å; V106-R108 PolarHBondContact O-N 3.48Å; V106-R108 VanDerWaalsContact O-N 3.1Å; R108-I110 VanDerWaalsContact C-N 3.3Å; R108-I110 HydrophobicContact CB-CD1 3.65Å; R108-I110 HydrophobicContact CB-CG1 3.8Å
109	G	94.6	Very high	95.6	Very high	34 Å²	34	23.3 Å²	23.3	35%	0.351	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	29.9	-174.9	0	0	0	0	0	113	A17 L105 V106	A17-G109 WeakPolarHBondContact CB-O 3.23Å; L105-G109 PolarHBondContact O-N 3.45Å; L105-G109 VanDerWaalsContact O-N 3.12Å; V106-G109 PolarHBondContact O-N 2.76Å
110	I	96.7	Very high	95.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.132	C	C	.	.			trans	-90.5	114.7	-179	-58.9	167.5	0	0	0	109.2	A17 A19 F49 I65 L105 R108	A17-I110 HydrophobicContact CB-CG1 4.05Å; A19-I110 HydrophobicContact CB-CD1 4.28Å; A19-I110 HydrophobicContact CB-CG2 3.68Å; F49-I110 HydrophobicContact CB-CD1 4.02Å; F49-I110 HydrophobicContact CD1-CD1 4.33Å; F49-I110 HydrophobicContact CD2-CD1 3.73Å; F49-I110 HydrophobicContact CD2-CG1 3.88Å; F49-I110 HydrophobicContact CE2-CD1 4.31Å; F49-I110 HydrophobicContact CE2-CG1 4.15Å; F49-I110 HydrophobicContact CG-CD1 3.76Å; F49-I110 HydrophobicContact CG-CG1 4.42Å; I65-I110 HydrophobicContact CG2-CD1 3.96Å; L105-I110 HydrophobicContact CB-CB 4.36Å; L105-I110 HydrophobicContact CD2-CB 3.88Å; L105-I110 HydrophobicContact CD2-CD1 4Å; L105-I110 HydrophobicContact CD2-CG2 3.78Å; L105-I110 PolarHBondContact O-N 3.27Å; R108-I110 VanDerWaalsContact C-N 3.3Å; R108-I110 HydrophobicContact CB-CD1 3.65Å; R108-I110 HydrophobicContact CB-CG1 3.8Å
111	T	94.9	Very high	94.9	Very high	20 Å²	20	21 Å²	21	12%	0.123	12%	0.12	C	C	.	.			trans	-118.3	2.8	179.5	54.2	0	0	0	0	113.1	N157	T111-N157 PolarHBondContact O-N 3.3Å
112	N	97.1	Very high	94.7	Very high	1 Å²	1	21 Å²	21	1%	0.005	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	124.3	-179.9	-57.1	-83.5	0	0	0	109.1	A17 I18 A19 N157 L324	A17-N112 WeakPolarHBondContact O-CB 3.46Å; A17-N112 PolarHBondContact O-N 3.19Å; A17-N112 PolarHBondContact O-ND2 2.89Å; A17-N112 VanDerWaalsContact O-ND2 3.11Å; I18-N112 CarbonylContact C-O 3.57Å; I18-N112 WeakPolarHBondContact CA-O 3.47Å; I18-N112 HydrophobicContact CB-CB 4.4Å; I18-N112 HydrophobicContact CG1-CB 3.9Å; A19-N112 PolarHBondContact N-O 2.92Å; N112-N157 CarbonylContact C-O 3.59Å; N112-N157 WeakPolarHBondContact CA-O 3.47Å; N112-N157 WeakPolarHBondContact OD1-CB 3.26Å; N112-N157 PolarHBondContact OD1-ND2 3.28Å; N112-N157 VanDerWaalsContact OD1-ND2 3.13Å; N112-L324 HydrophobicContact CB-CB 4.17Å; N112-L324 HydrophobicContact CB-CD1 4.3Å; N112-L324 HydrophobicContact CB-CD2 4.06Å; N112-L324 HydrophobicContact CB-CG 4.4Å; N112-L324 PolarHBondContact OD1-O 3.42Å; N112-L324 VanDerWaalsContact OD1-O 3.08Å
113	L	97.4	Very high	94.3	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	119.4	-175.8	-175.8	66.6	0	0	0	110.9	A19 L21 V115 F128 L156 N157 I158 V159	A19-L113 HydrophobicContact CB-CD1 3.69Å; L21-L113 HydrophobicContact CD2-CD1 4.09Å; L113-V115 HydrophobicContact CD2-CG2 3.94Å; L113-V115 HydrophobicContact CG-CG2 3.89Å; L113-F128 HydrophobicContact CD2-CD1 4.34Å; L113-F128 HydrophobicContact CD2-CE1 4.41Å; L113-L156 HydrophobicContact CB-CD1 4.34Å; L113-N157 PolarHBondContact N-O 3.25Å; L113-I158 HydrophobicContact CB-CG1 4.29Å; L113-I158 HydrophobicContact CD2-CD1 4.26Å; L113-I158 WeakPolarHBondContact O-CA 3.47Å; L113-V159 PolarHBondContact O-N 3.29Å
114	C	97.8	Very high	94	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	116	170.5	-175.5	0	0	0	0	109.7	A19 V20 L21 V37 V159 L324	A19-C114 PolarHBondContact O-N 3.34Å; V20-C114 WeakPolarHBondContact CA-O 3.39Å; V20-C114 HydrophobicContact CB-CB 4.31Å; V20-C114 HydrophobicContact CG2-CB 4.18Å; L21-C114 PolarHBondContact N-O 3.33Å; V37-C114 HydrophobicContact CG1-CB 4.31Å; C114-V159 WeakPolarHBondContact CA-O 3.31Å; C114-L324 HydrophobicContact CB-CD1 4.05Å
115	V	97.4	Very high	93.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	117.5	179	179.8	0	0	0	0	109.4	L21 L113 L122 A125 V159 G160 L161	L21-V115 HydrophobicContact CD1-CB 4.5Å; L21-V115 HydrophobicContact CD1-CG1 3.91Å; L21-V115 HydrophobicContact CD1-CG2 4.41Å; L21-V115 HydrophobicContact CD2-CG2 4.39Å; L21-V115 HydrophobicContact CG-CG2 4.22Å; L113-V115 HydrophobicContact CD2-CG2 3.94Å; L113-V115 HydrophobicContact CG-CG2 3.89Å; V115-L122 HydrophobicContact CB-CD2 4.38Å; V115-L122 HydrophobicContact CG1-CD2 4.2Å; V115-A125 HydrophobicContact CB-CB 4.31Å; V115-A125 HydrophobicContact CG1-CB 4.46Å; V115-A125 HydrophobicContact CG2-CB 3.87Å; V115-V159 PolarHBondContact N-O 3.31Å; V115-G160 CarbonylContact O-C 3.47Å; V115-G160 WeakPolarHBondContact O-CA 3.48Å; V115-L161 PolarHBondContact O-N 2.91Å
116	I	97.2	Very high	93.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	117.2	176.9	-50.8	172.4	0	0	0	108.2	V20 L21 T22 S23 M30 A33 V34 L161	V20-I116 HydrophobicContact CG2-CD1 3.78Å; V20-I116 HydrophobicContact CG2-CG1 4.34Å; L21-I116 PolarHBondContact O-N 2.99Å; T22-I116 CarbonylContact C-O 3.58Å; T22-I116 VanDerWaalsContact CA-O 3.28Å; T22-I116 WeakPolarHBondContact CA-O 3.35Å; T22-I116 HydrophobicContact CG2-CB 3.98Å; T22-I116 HydrophobicContact CG2-CD1 4.3Å; T22-I116 HydrophobicContact CG2-CG2 4.35Å; S23-I116 PolarHBondContact N-O 3.45Å; M30-I116 HydrophobicContact CB-CG2 4.42Å; M30-I116 HydrophobicContact CG-CG2 3.89Å; A33-I116 HydrophobicContact CB-CD1 3.76Å; V34-I116 HydrophobicContact CG2-CD1 3.6Å; I116-L161 WeakPolarHBondContact CA-O 3.43Å; I116-L161 HydrophobicContact CB-CB 4.42Å; I116-L161 HydrophobicContact CD1-CD1 4.36Å; I116-L161 HydrophobicContact CG1-CB 4.08Å; I116-L161 HydrophobicContact CG1-CD1 4.07Å; I116-L161 HydrophobicContact CG1-CG 4.38Å; I116-L161 HydrophobicContact CG2-CB 4.26Å
117	G	93.8	Very high	93.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176	-170	-176.9	0	0	0	0	0	114.7	S23 L161 V162 G163	S23-G117 WeakPolarHBondContact O-CA 3.18Å; G117-L161 PolarHBondContact N-O 3.43Å; G117-V162 WeakPolarHBondContact O-CA 3.47Å; G117-G163 CarbonylContact C-O 3.45Å; G117-G163 PolarHBondContact O-N 3.17Å
118	G	90.5	Very high	93.3	Very high	11 Å²	11	17.7 Å²	17.7	11%	0.113	12%	0.12	C	C	.	.			trans	-80.6	-178.4	175.1	0	0	0	0	0	113.5	G120 S121 L122	G118-G120 VanDerWaalsContact C-N 3.33Å; G118-G120 PolarHBondContact O-N 2.75Å; G118-S121 PolarHBondContact O-N 2.77Å; G118-S121 VanDerWaalsContact O-N 3.14Å; G118-L122 WeakPolarHBondContact O-CG 3.32Å; G118-L122 PolarHBondContact O-N 3.31Å; G118-L122 VanDerWaalsContact O-N 3.07Å
119	D	86.2	Confident	93.2	Very high	46 Å²	46	16.6 Å²	16.6	25%	0.246	12%	0.115	C	C	.	.	H	α-helix	trans	-49.4	-46	178.4	68.7	-52.7	0	0	0	113.9	S121 L122 T123 F169 R210	D119-S121 PolarHBondContact O-N 2.82Å; D119-L122 PolarHBondContact O-N 3.33Å; D119-T123 PolarHBondContact O-N 3.48Å; D119-T123 PolarHBondContact O-OG1 3.34Å; D119-F169 HydrophobicContact CB-CD2 4.14Å; D119-F169 HydrophobicContact CB-CE2 4.5Å; D119-R210 IonicContact OD1-NH1 2.87Å; D119-R210 PolarHBondContact OD1-NH1 3.34Å
120	G	86.5	Confident	93	Very high	45 Å²	45	18.5 Å²	18.5	46%	0.464	12%	0.124	S	C	.	.	H	α-helix	trans	-66.3	-37.4	-179.2	0	0	0	0	0	113.2	G118 G124	G118-G120 VanDerWaalsContact C-N 3.33Å; G118-G120 PolarHBondContact O-N 2.75Å; G120-G124 PolarHBondContact O-N 2.88Å; G120-G124 VanDerWaalsContact O-N 3.08Å
121	S	92.1	Very high	92.9	Very high	11 Å²	11	20.6 Å²	20.6	8%	0.077	13%	0.133	C	C	.	.	H	α-helix	trans	-68.6	-43.3	176.5	-59.5	0	0	0	0	110.9	S23 Y55 G118 D119 T123 G124 A125	S23-S121 VanDerWaalsContact C-OG 3.25Å; S23-S121 VanDerWaalsContact CB-OG 3.3Å; S23-S121 WeakPolarHBondContact CB-OG 3.46Å; S23-S121 PolarHBondContact O-OG 2.92Å; S23-S121 WeakPolarHBondContact OG-CB 3.45Å; S23-S121 PolarHBondContact OG-OG 2.95Å; Y55-S121 PolarHBondContact OH-O 3.02Å; G118-S121 PolarHBondContact O-N 2.77Å; G118-S121 VanDerWaalsContact O-N 3.14Å; D119-S121 PolarHBondContact O-N 2.82Å; S121-T123 PolarHBondContact O-N 3.24Å; S121-G124 PolarHBondContact O-N 3.36Å; S121-A125 PolarHBondContact O-N 2.87Å
122	L	91.7	Very high	92.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-64.4	-39.5	177.2	-66.4	-175	0	0	0	112.2	V115 G118 D119 G124 A125 D126 G160 V162 F169 V335 L348	V115-L122 HydrophobicContact CB-CD2 4.38Å; V115-L122 HydrophobicContact CG1-CD2 4.2Å; G118-L122 WeakPolarHBondContact O-CG 3.32Å; G118-L122 PolarHBondContact O-N 3.31Å; G118-L122 VanDerWaalsContact O-N 3.07Å; D119-L122 PolarHBondContact O-N 3.33Å; L122-G124 VanDerWaalsContact C-N 3.35Å; L122-G124 PolarHBondContact O-N 2.89Å; L122-A125 WeakPolarHBondContact O-CB 3.22Å; L122-A125 PolarHBondContact O-N 3.14Å; L122-D126 PolarHBondContact O-N 3.28Å; L122-D126 VanDerWaalsContact O-N 3.09Å; L122-G160 VanDerWaalsContact CD2-CA 3.43Å; L122-V162 HydrophobicContact CD1-CG2 3.89Å; L122-F169 HydrophobicContact CD1-CE2 3.84Å; L122-F169 HydrophobicContact CD1-CZ 3.9Å; L122-V335 HydrophobicContact CD1-CG2 4.19Å; L122-L348 HydrophobicContact CB-CD1 3.94Å; L122-L348 HydrophobicContact CB-CG 4.41Å; L122-L348 HydrophobicContact CD2-CD1 4.13Å; L122-L348 HydrophobicContact CG-CD1 4.42Å; L122-L348 WeakPolarHBondContact O-CD2 3.32Å
123	T	89.4	Confident	92.7	Very high	32 Å²	32	23.2 Å²	23.2	20%	0.196	15%	0.152	C	C	.	.	H	α-helix	trans	-60.5	-44.1	172.9	-54.7	0	0	0	0	111.6	D119 S121 A125 D126 T127 V352	D119-T123 PolarHBondContact O-N 3.48Å; D119-T123 PolarHBondContact O-OG1 3.34Å; S121-T123 PolarHBondContact O-N 3.24Å; T123-A125 VanDerWaalsContact C-N 3.28Å; T123-A125 PolarHBondContact O-N 2.87Å; T123-D126 PolarHBondContact O-N 2.97Å; T123-T127 PolarHBondContact O-N 3.22Å; T123-T127 VanDerWaalsContact O-N 3.12Å; T123-T127 PolarHBondContact O-OG1 2.96Å; T123-V352 WeakPolarHBondContact OG1-CG1 3.3Å
124	G	91.2	Very high	92.6	Very high	20 Å²	20	27.5 Å²	27.5	21%	0.206	18%	0.175	C	C	.	.	H	α-helix	trans	-62.5	-35.1	176	0	0	0	0	0	112.9	G120 S121 L122 F128	G120-G124 PolarHBondContact O-N 2.88Å; G120-G124 VanDerWaalsContact O-N 3.08Å; S121-G124 PolarHBondContact O-N 3.36Å; L122-G124 VanDerWaalsContact C-N 3.35Å; L122-G124 PolarHBondContact O-N 2.89Å; G124-F128 WeakPolarHBondContact O-CB 3.39Å; G124-F128 PolarHBondContact O-N 2.82Å
125	A	92.8	Very high	92.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.6	-46	174.7	0	0	0	0	0	111.4	Y55 V115 S121 L122 T123 T127 F128 R129 I158	Y55-A125 WeakPolarHBondContact OH-CA 3.3Å; Y55-A125 WeakPolarHBondContact OH-CB 3.23Å; Y55-A125 PolarHBondContact OH-N 3.42Å; V115-A125 HydrophobicContact CB-CB 4.31Å; V115-A125 HydrophobicContact CG1-CB 4.46Å; V115-A125 HydrophobicContact CG2-CB 3.87Å; S121-A125 PolarHBondContact O-N 2.87Å; L122-A125 WeakPolarHBondContact O-CB 3.22Å; L122-A125 PolarHBondContact O-N 3.14Å; T123-A125 VanDerWaalsContact C-N 3.28Å; T123-A125 PolarHBondContact O-N 2.87Å; A125-T127 PolarHBondContact O-N 2.86Å; A125-F128 WeakPolarHBondContact O-CB 3.37Å; A125-F128 PolarHBondContact O-N 3.26Å; A125-R129 PolarHBondContact O-N 2.67Å; A125-I158 HydrophobicContact CB-CD1 4.14Å; A125-I158 HydrophobicContact CB-CG2 3.89Å; A125-I158 WeakPolarHBondContact O-CD1 3.35Å
126	D	89.9	Confident	92.4	Very high	21 Å²	21	28 Å²	28	11%	0.112	18%	0.178	C	C	.	.	H	α-helix	trans	-60.9	-45.2	178.5	-166.1	73	0	0	0	113	L122 T123 F128 R129 S130 L348 M349	L122-D126 PolarHBondContact O-N 3.28Å; L122-D126 VanDerWaalsContact O-N 3.09Å; T123-D126 PolarHBondContact O-N 2.97Å; D126-F128 VanDerWaalsContact C-N 3.27Å; D126-F128 PolarHBondContact O-N 3Å; D126-R129 PolarHBondContact O-N 3.22Å; D126-S130 WeakPolarHBondContact O-CB 3.28Å; D126-S130 PolarHBondContact O-N 3.2Å; D126-S130 PolarHBondContact O-OG 3.31Å; D126-L348 HydrophobicContact CB-CD2 3.63Å; D126-M349 HydrophobicContact CB-CG 4.26Å; D126-M349 HydrophobicContact CB-SD 3.83Å; D126-M349 WeakPolarHBondContact OD1-CG 3.45Å; D126-M349 WeakPolarHBondContact OD2-CG 3.44Å
127	T	92	Very high	92.2	Very high	53 Å²	53	30 Å²	30	33%	0.325	19%	0.192	S	C	.	.	H	α-helix	trans	-59.5	-43.1	176.3	-56.2	0	0	0	0	110.3	T123 A125 R129 S130 E131	T123-T127 PolarHBondContact O-N 3.22Å; T123-T127 VanDerWaalsContact O-N 3.12Å; T123-T127 PolarHBondContact O-OG1 2.96Å; A125-T127 PolarHBondContact O-N 2.86Å; T127-R129 PolarHBondContact O-N 2.92Å; T127-S130 PolarHBondContact O-N 2.95Å; T127-E131 HydrophobicContact CG2-CG 4.45Å; T127-E131 WeakPolarHBondContact O-CG 3.28Å; T127-E131 PolarHBondContact O-N 2.94Å
128	F	94.7	Very high	92.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-64.3	-38.5	178.9	-174	-128	0	0	0	113.3	L58 F92 R98 A101 A102 L105 L113 G124 A125 D126 W132 L135 L156	L58-F128 HydrophobicContact CD2-CE1 4.24Å; F92-F128 HydrophobicContact CE1-CB 4.22Å; F92-F128 HydrophobicContact CE1-CG 4.46Å; F92-F128 HydrophobicContact CE2-CD2 4.08Å; F92-F128 HydrophobicContact CE2-CE2 4.16Å; F92-F128 HydrophobicContact CE2-CG 4.29Å; F92-F128 HydrophobicContact CE2-CZ 4.42Å; F92-F128 HydrophobicContact CZ-CB 3.78Å; F92-F128 AromaticContact CZ-CD1 3.98Å; F92-F128 HydrophobicContact CZ-CD1 3.98Å; F92-F128 AromaticContact CZ-CD2 3.72Å; F92-F128 HydrophobicContact CZ-CD2 3.72Å; F92-F128 HydrophobicContact CZ-CE1 4.45Å; F92-F128 HydrophobicContact CZ-CE2 4.23Å; F92-F128 AromaticContact CZ-CG 3.57Å; F92-F128 HydrophobicContact CZ-CG 3.57Å; R98-F128 HydrophobicContact CB-CD2 3.96Å; R98-F128 HydrophobicContact CB-CE2 4.08Å; R98-F128 HydrophobicContact CG-CD2 4.14Å; R98-F128 WeakPolarHBondContact O-CE2 3.12Å; A101-F128 HydrophobicContact CB-CE2 4.15Å; A101-F128 HydrophobicContact CB-CZ 3.9Å; A102-F128 HydrophobicContact CB-CE2 4.18Å; A102-F128 HydrophobicContact CB-CZ 4.19Å; L105-F128 HydrophobicContact CD1-CE1 3.82Å; L105-F128 HydrophobicContact CD1-CZ 4.18Å; L113-F128 HydrophobicContact CD2-CD1 4.34Å; L113-F128 HydrophobicContact CD2-CE1 4.41Å; G124-F128 WeakPolarHBondContact O-CB 3.39Å; G124-F128 PolarHBondContact O-N 2.82Å; A125-F128 WeakPolarHBondContact O-CB 3.37Å; A125-F128 PolarHBondContact O-N 3.26Å; D126-F128 VanDerWaalsContact C-N 3.27Å; D126-F128 PolarHBondContact O-N 3Å; F128-W132 HydrophobicContact CE1-CE3 4.21Å; F128-W132 AromaticContact CE1-CZ3 3.84Å; F128-W132 HydrophobicContact CE1-CZ3 3.84Å; F128-W132 HydrophobicContact CE2-CE3 4.33Å; F128-W132 HydrophobicContact CE2-CZ3 4.26Å; F128-W132 HydrophobicContact CZ-CE3 4.02Å; F128-W132 AromaticContact CZ-CZ3 3.57Å; F128-W132 HydrophobicContact CZ-CZ3 3.57Å; F128-W132 PolarHBondContact O-N 3.19Å; F128-L135 HydrophobicContact CD2-CD1 3.87Å; F128-L135 HydrophobicContact CE2-CD1 3.74Å; F128-L156 HydrophobicContact CD1-CD2 3.75Å; F128-L156 HydrophobicContact CE1-CD2 3.82Å
129	R	92.6	Very high	92.5	Very high	54 Å²	54	31.7 Å²	31.7	20%	0.204	20%	0.198	C	C	.	.	H	α-helix	trans	-66.5	-43.3	173.1	179.7	176.1	174.8	-89.9	-10.3	111.9	A125 D126 T127 E131 W132 L156 I158 P329 T331	A125-R129 PolarHBondContact O-N 2.67Å; D126-R129 PolarHBondContact O-N 3.22Å; T127-R129 PolarHBondContact O-N 2.92Å; R129-E131 VanDerWaalsContact C-N 3.33Å; R129-E131 PolarHBondContact O-N 2.53Å; R129-W132 WeakPolarHBondContact O-CB 3.16Å; R129-W132 PolarHBondContact O-N 3.04Å; R129-L156 WeakPolarHBondContact CD-O 3.19Å; R129-L156 WeakPolarHBondContact CG-O 3.49Å; R129-L156 PolarHBondContact NE-O 2.71Å; R129-I158 HydrophobicContact CB-CD1 3.67Å; R129-I158 HydrophobicContact CB-CG1 4.08Å; R129-P329 PolarHBondContact NH2-O 2.86Å; R129-T331 VanDerWaalsContact CZ-O 3.28Å; R129-T331 PolarHBondContact NH2-O 2.93Å
130	S	90.8	Very high	92.8	Very high	75 Å²	75	33.5 Å²	33.5	52%	0.524	21%	0.205	S	C	.	.	H	α-helix	trans	-65.8	-37	-178	-60.6	0	0	0	0	112.2	D126 T127 W132	D126-S130 WeakPolarHBondContact O-CB 3.28Å; D126-S130 PolarHBondContact O-N 3.2Å; D126-S130 PolarHBondContact O-OG 3.31Å; T127-S130 PolarHBondContact O-N 2.95Å; S130-W132 VanDerWaalsContact C-N 3.3Å; S130-W132 PolarHBondContact O-N 2.95Å
131	E	94.3	Very high	93.1	Very high	43 Å²	43	38.9 Å²	38.9	20%	0.201	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-4.1	176.3	-67.1	-178.6	-172.8	0	0	113.6	R98 T127 R129 S133 D134 L135	R98-E131 IonicContact CZ-OE1 2.76Å; R98-E131 IonicContact CZ-OE2 2.61Å; R98-E131 VanDerWaalsContact CZ-OE2 3.28Å; R98-E131 IonicContact NE-OE1 3.84Å; R98-E131 IonicContact NE-OE2 3.11Å; R98-E131 PolarHBondContact NE-OE2 2.87Å; R98-E131 IonicContact NH2-OE1 3.99Å; R98-E131 PolarHBondContact NH2-OE1 2.97Å; R98-E131 IonicContact NH2-OE2 2.75Å; R98-E131 PolarHBondContact NH2-OE2 2.99Å; T127-E131 HydrophobicContact CG2-CG 4.45Å; T127-E131 WeakPolarHBondContact O-CG 3.28Å; T127-E131 PolarHBondContact O-N 2.94Å; R129-E131 VanDerWaalsContact C-N 3.33Å; R129-E131 PolarHBondContact O-N 2.53Å; E131-S133 PolarHBondContact O-N 3.37Å; E131-D134 PolarHBondContact O-N 2.79Å; E131-D134 VanDerWaalsContact O-N 3.08Å; E131-L135 HydrophobicContact CB-CD1 4.16Å; E131-L135 HydrophobicContact CB-CG 4.23Å; E131-L135 VanDerWaalsContact O-CG 3.31Å; E131-L135 WeakPolarHBondContact O-CG 3.44Å; E131-L135 PolarHBondContact O-N 3.49Å
132	W	94.8	Very high	93.1	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.015	24%	0.237	C	C	.	.	H	α-helix	trans	-56.2	-45.9	-167.9	-175	-103.8	0	0	0	113.7	A102 L105 V106 F128 R129 S130 D134 L135 L136 S153 L156	A102-W132 HydrophobicContact CB-CE3 4.22Å; A102-W132 HydrophobicContact CB-CH2 4.22Å; A102-W132 HydrophobicContact CB-CZ3 3.7Å; L105-W132 HydrophobicContact CB-CH2 4.06Å; L105-W132 HydrophobicContact CD1-CH2 4.09Å; L105-W132 HydrophobicContact CD1-CZ3 4.11Å; V106-W132 HydrophobicContact CG2-CH2 4.21Å; V106-W132 HydrophobicContact CG2-CZ2 4.07Å; F128-W132 HydrophobicContact CE1-CE3 4.21Å; F128-W132 AromaticContact CE1-CZ3 3.84Å; F128-W132 HydrophobicContact CE1-CZ3 3.84Å; F128-W132 HydrophobicContact CE2-CE3 4.33Å; F128-W132 HydrophobicContact CE2-CZ3 4.26Å; F128-W132 HydrophobicContact CZ-CE3 4.02Å; F128-W132 AromaticContact CZ-CZ3 3.57Å; F128-W132 HydrophobicContact CZ-CZ3 3.57Å; F128-W132 PolarHBondContact O-N 3.19Å; R129-W132 WeakPolarHBondContact O-CB 3.16Å; R129-W132 PolarHBondContact O-N 3.04Å; S130-W132 VanDerWaalsContact C-N 3.3Å; S130-W132 PolarHBondContact O-N 2.95Å; W132-D134 VanDerWaalsContact C-N 3.3Å; W132-D134 PolarHBondContact O-N 2.77Å; W132-L135 PolarHBondContact O-N 2.92Å; W132-L136 HydrophobicContact CZ2-CD2 4.32Å; W132-L136 WeakPolarHBondContact O-CG 3.33Å; W132-L136 PolarHBondContact O-N 2.96Å; W132-S153 PolarHBondContact NE1-O 3.4Å; W132-L156 HydrophobicContact CB-CB 4.41Å; W132-L156 HydrophobicContact CD2-CB 3.59Å; W132-L156 HydrophobicContact CD2-CD2 4.09Å; W132-L156 HydrophobicContact CD2-CG 4.35Å; W132-L156 HydrophobicContact CE3-CB 4.04Å; W132-L156 HydrophobicContact CE3-CD2 3.63Å; W132-L156 HydrophobicContact CE3-CG 4.31Å; W132-L156 HydrophobicContact CG-CB 3.75Å; W132-L156 HydrophobicContact CH2-CD1 4.22Å; W132-L156 HydrophobicContact CZ2-CB 4.3Å; W132-L156 HydrophobicContact CZ2-CD1 4.36Å; W132-L156 HydrophobicContact CZ3-CD1 4.36Å; W132-L156 HydrophobicContact CZ3-CD2 3.86Å; W132-L156 HydrophobicContact CZ3-CG 4.49Å
133	S	93.3	Very high	93.1	Very high	72 Å²	72	44.5 Å²	44.5	50%	0.503	27%	0.269	S	S	.	.	H	α-helix	trans	-60.3	-40.4	178.6	51.9	0	0	0	0	112.4	E131 L136 S137	E131-S133 PolarHBondContact O-N 3.37Å; S133-L136 PolarHBondContact O-N 3.16Å; S133-S137 PolarHBondContact O-N 3.22Å
134	D	95.2	Very high	93.3	Very high	91 Å²	91	47.3 Å²	47.3	49%	0.487	28%	0.278	S	S	.	.	H	α-helix	trans	-72.4	-38.8	-178.7	-63.1	-13.3	0	0	0	110.8	E131 W132 S137 D138	E131-D134 PolarHBondContact O-N 2.79Å; E131-D134 VanDerWaalsContact O-N 3.08Å; W132-D134 VanDerWaalsContact C-N 3.3Å; W132-D134 PolarHBondContact O-N 2.77Å; D134-S137 WeakPolarHBondContact O-CB 3.22Å; D134-S137 PolarHBondContact O-N 2.83Å; D134-D138 PolarHBondContact O-N 2.93Å
135	L	95.8	Very high	93.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63	-42.2	174.8	-64.4	173	0	0	0	111.2	R95 R98 L99 A102 F128 E131 W132 D138 L139	R95-L135 HydrophobicContact CG-CD2 4.17Å; R98-L135 HydrophobicContact CB-CD1 4.03Å; R98-L135 HydrophobicContact CB-CD2 4.4Å; L99-L135 HydrophobicContact CB-CD2 4.21Å; L99-L135 HydrophobicContact CD1-CB 4.34Å; L99-L135 HydrophobicContact CD1-CD2 3.97Å; L99-L135 WeakPolarHBondContact CD1-O 3.41Å; A102-L135 HydrophobicContact CB-CB 4.13Å; A102-L135 HydrophobicContact CB-CD1 4.26Å; F128-L135 HydrophobicContact CD2-CD1 3.87Å; F128-L135 HydrophobicContact CE2-CD1 3.74Å; E131-L135 HydrophobicContact CB-CD1 4.16Å; E131-L135 HydrophobicContact CB-CG 4.23Å; E131-L135 VanDerWaalsContact O-CG 3.31Å; E131-L135 WeakPolarHBondContact O-CG 3.44Å; E131-L135 PolarHBondContact O-N 3.49Å; W132-L135 PolarHBondContact O-N 2.92Å; L135-D138 PolarHBondContact O-N 3.36Å; L135-L139 VanDerWaalsContact O-CG 3.27Å; L135-L139 WeakPolarHBondContact O-CG 3.46Å; L135-L139 PolarHBondContact O-N 2.91Å
136	L	94.8	Very high	93.5	Very high	11 Å²	11	50.2 Å²	50.2	6%	0.058	29%	0.292	C	S	.	.	H	α-helix	trans	-64.2	-44.4	175	-69.7	-177.9	0	0	0	112.1	V106 W132 S133 D138 L139 Q140 I145 S153	V106-L136 HydrophobicContact CG2-CD2 3.52Å; W132-L136 HydrophobicContact CZ2-CD2 4.32Å; W132-L136 WeakPolarHBondContact O-CG 3.33Å; W132-L136 PolarHBondContact O-N 2.96Å; S133-L136 PolarHBondContact O-N 3.16Å; L136-D138 VanDerWaalsContact C-N 3.26Å; L136-D138 PolarHBondContact O-N 3.09Å; L136-L139 PolarHBondContact O-N 2.96Å; L136-Q140 WeakPolarHBondContact O-CB 3.49Å; L136-Q140 PolarHBondContact O-N 3.06Å; L136-I145 HydrophobicContact CD2-CD1 3.91Å; L136-S153 VanDerWaalsContact CD1-O 3.28Å; L136-S153 WeakPolarHBondContact CD1-O 3.42Å
137	S	93.9	Very high	93.6	Very high	42 Å²	42	54.3 Å²	54.3	29%	0.294	31%	0.314	S	S	.	.	H	α-helix	trans	-55.5	-43.6	176.5	-170.2	0	0	0	0	111.3	S133 D134 Q140 K141	S133-S137 PolarHBondContact O-N 3.22Å; D134-S137 WeakPolarHBondContact O-CB 3.22Å; D134-S137 PolarHBondContact O-N 2.83Å; S137-Q140 PolarHBondContact O-N 2.89Å; S137-K141 WeakPolarHBondContact O-CB 3.5Å; S137-K141 VanDerWaalsContact O-CG 3.25Å; S137-K141 WeakPolarHBondContact O-CG 3.15Å; S137-K141 PolarHBondContact O-N 2.76Å; S137-K141 WeakPolarHBondContact OG-CE 3.49Å; S137-K141 PolarHBondContact OG-NZ 3.09Å
138	D	94.6	Very high	93.6	Very high	46 Å²	46	57.4 Å²	57.4	25%	0.246	33%	0.325	C	S	.	.	H	α-helix	trans	-72.6	-38.3	180	-72.3	-10.1	0	0	0	112.9	R95 L99 D134 L135 L136 Q140 K141 A142	R95-D138 IonicContact CZ-OD2 3.43Å; R95-D138 IonicContact NH1-OD2 2.67Å; R95-D138 PolarHBondContact NH1-OD2 3.1Å; R95-D138 IonicContact NH2-OD2 2.67Å; R95-D138 PolarHBondContact NH2-OD2 3.08Å; L99-D138 HydrophobicContact CD1-CB 4.03Å; D134-D138 PolarHBondContact O-N 2.93Å; L135-D138 PolarHBondContact O-N 3.36Å; L136-D138 VanDerWaalsContact C-N 3.26Å; L136-D138 PolarHBondContact O-N 3.09Å; D138-Q140 VanDerWaalsContact C-N 3.3Å; D138-Q140 PolarHBondContact O-N 3.08Å; D138-K141 PolarHBondContact O-N 2.94Å; D138-K141 IonicContact OD1-NZ 3.81Å; D138-A142 VanDerWaalsContact O-CB 3.23Å; D138-A142 WeakPolarHBondContact O-CB 3.44Å; D138-A142 PolarHBondContact O-N 3.4Å
139	L	95.1	Very high	93.5	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-62.9	-38.1	173.4	-72.6	173.9	0	0	0	112	L99 A102 Y103 L135 L136 G143 K144 I145	L99-L139 HydrophobicContact CD1-CD1 4.49Å; L99-L139 HydrophobicContact CD1-CD2 3.83Å; L99-L139 HydrophobicContact CD1-CG 3.69Å; L99-L139 HydrophobicContact CD2-CD2 4.44Å; L99-L139 HydrophobicContact CG-CD2 3.8Å; L99-L139 HydrophobicContact CG-CG 4.22Å; A102-L139 HydrophobicContact CB-CD1 4.03Å; Y103-L139 HydrophobicContact CD2-CD2 4.36Å; L135-L139 VanDerWaalsContact O-CG 3.27Å; L135-L139 WeakPolarHBondContact O-CG 3.46Å; L135-L139 PolarHBondContact O-N 2.91Å; L136-L139 PolarHBondContact O-N 2.96Å; L139-G143 PolarHBondContact O-N 3.17Å; L139-K144 HydrophobicContact CD2-CB 4.1Å; L139-K144 HydrophobicContact CD2-CD 3.78Å; L139-K144 PolarHBondContact O-N 3.15Å; L139-I145 HydrophobicContact CB-CD1 3.72Å; L139-I145 HydrophobicContact CB-CG1 3.82Å; L139-I145 HydrophobicContact CB-CG2 4.22Å; L139-I145 HydrophobicContact CD1-CD1 4.5Å; L139-I145 HydrophobicContact CD1-CG2 4.44Å
140	Q	92.5	Very high	93.5	Very high	84 Å²	84	57.8 Å²	57.8	39%	0.393	33%	0.33	S	S	.	.	H	α-helix	trans	-68.9	-48.1	177.4	-170.2	-176.7	5.9	0	0	110.8	L136 S137 D138 A142 G143 I145 D147	L136-Q140 WeakPolarHBondContact O-CB 3.49Å; L136-Q140 PolarHBondContact O-N 3.06Å; S137-Q140 PolarHBondContact O-N 2.89Å; D138-Q140 VanDerWaalsContact C-N 3.3Å; D138-Q140 PolarHBondContact O-N 3.08Å; Q140-A142 PolarHBondContact O-N 2.82Å; Q140-G143 PolarHBondContact O-N 2.79Å; Q140-I145 HydrophobicContact CB-CG1 4.21Å; Q140-D147 PolarHBondContact NE2-OD1 3.29Å
141	K	93.2	Very high	93.5	Very high	158 Å²	158	59 Å²	59	69%	0.687	34%	0.335	S	S	*	.	H	α-helix	trans	-59.2	-35.2	174.8	-72.4	169.5	-167.7	160.9	0	112.6	S137 D138 G143	S137-K141 WeakPolarHBondContact O-CB 3.5Å; S137-K141 VanDerWaalsContact O-CG 3.25Å; S137-K141 WeakPolarHBondContact O-CG 3.15Å; S137-K141 PolarHBondContact O-N 2.76Å; S137-K141 WeakPolarHBondContact OG-CE 3.49Å; S137-K141 PolarHBondContact OG-NZ 3.09Å; D138-K141 PolarHBondContact O-N 2.94Å; D138-K141 IonicContact OD1-NZ 3.81Å; K141-G143 PolarHBondContact O-N 2.95Å
142	A	93.2	Very high	93.3	Very high	63 Å²	63	63.9 Å²	63.9	52%	0.521	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-2	176.2	0	0	0	0	0	113.8	D138 Q140 K144	D138-A142 VanDerWaalsContact O-CB 3.23Å; D138-A142 WeakPolarHBondContact O-CB 3.44Å; D138-A142 PolarHBondContact O-N 3.4Å; Q140-A142 PolarHBondContact O-N 2.82Å; A142-K144 HydrophobicContact CB-CD 4.48Å; A142-K144 HydrophobicContact CB-CG 4.17Å; A142-K144 PolarHBondContact O-N 3.29Å
143	G	91.9	Very high	93.2	Very high	65 Å²	65	63.8 Å²	63.8	67%	0.67	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.6	18.2	-178.1	0	0	0	0	0	114.4	L139 Q140 K141	L139-G143 PolarHBondContact O-N 3.17Å; Q140-G143 PolarHBondContact O-N 2.79Å; K141-G143 PolarHBondContact O-N 2.95Å
144	K	93.2	Very high	93.1	Very high	91 Å²	91	63.7 Å²	63.7	40%	0.396	36%	0.355	S	S	.	.	S	Bend	trans	-81.2	-28	-179.2	-69	-174.4	178.2	177.5	0	112.5	Y103 K107 L139 A142	Y103-K144 HydrophobicContact CD2-CB 3.96Å; Y103-K144 HydrophobicContact CE2-CB 3.99Å; Y103-K144 WeakPolarHBondContact CE2-O 3.22Å; K107-K144 VanDerWaalsContact CE-O 3.22Å; K107-K144 WeakPolarHBondContact CE-O 3.25Å; K107-K144 PolarHBondContact NZ-O 2.89Å; L139-K144 HydrophobicContact CD2-CB 4.1Å; L139-K144 HydrophobicContact CD2-CD 3.78Å; L139-K144 PolarHBondContact O-N 3.15Å; A142-K144 HydrophobicContact CB-CD 4.48Å; A142-K144 HydrophobicContact CB-CG 4.17Å; A142-K144 PolarHBondContact O-N 3.29Å
145	I	94.3	Very high	93	Very high	9 Å²	9	63 Å²	63	5%	0.046	35%	0.346	C	S	.	.	S	Bend	trans	-127	152.8	178	66	176	0	0	0	110.9	Y103 V106 L136 L139 Q140 E149 A150	Y103-I145 HydrophobicContact CD2-CG2 4.15Å; V106-I145 HydrophobicContact CB-CG2 4.47Å; V106-I145 HydrophobicContact CG1-CB 4.39Å; V106-I145 HydrophobicContact CG1-CG2 3.87Å; L136-I145 HydrophobicContact CD2-CD1 3.91Å; L139-I145 HydrophobicContact CB-CD1 3.72Å; L139-I145 HydrophobicContact CB-CG1 3.82Å; L139-I145 HydrophobicContact CB-CG2 4.22Å; L139-I145 HydrophobicContact CD1-CD1 4.5Å; L139-I145 HydrophobicContact CD1-CG2 4.44Å; Q140-I145 HydrophobicContact CB-CG1 4.21Å; I145-E149 WeakPolarHBondContact CA-OE2 3.34Å; I145-E149 HydrophobicContact CB-CB 4.29Å; I145-E149 WeakPolarHBondContact CB-OE2 3.21Å; I145-A150 HydrophobicContact CD1-CB 3.95Å
146	T	93.5	Very high	92.9	Very high	73 Å²	73	63.2 Å²	63.2	45%	0.448	35%	0.347	S	S	.	.			trans	-84.3	161.7	175.6	70.5	0	0	0	0	111.4	E148 E149 A150	T146-E148 PolarHBondContact O-N 3Å; T146-E149 PolarHBondContact N-OE2 2.59Å; T146-E149 PolarHBondContact O-N 2.87Å; T146-E149 VanDerWaalsContact O-N 3.15Å; T146-E149 WeakPolarHBondContact OG1-CG 3.02Å; T146-E149 PolarHBondContact OG1-N 2.87Å; T146-E149 VanDerWaalsContact OG1-N 3.16Å; T146-A150 PolarHBondContact O-N 2.8Å
147	D	91.4	Very high	92.9	Very high	106 Å²	106	63 Å²	63	57%	0.567	35%	0.346	S	S	*	.	H	α-helix	trans	-59.4	-34.2	175.1	-62.9	-13.3	0	0	0	112.1	Q140 T151	Q140-D147 PolarHBondContact NE2-OD1 3.29Å; D147-T151 WeakPolarHBondContact O-CB 3.44Å; D147-T151 PolarHBondContact O-N 3.26Å; D147-T151 PolarHBondContact O-OG1 3.07Å
148	E	92.6	Very high	93	Very high	119 Å²	119	61.3 Å²	61.3	56%	0.556	33%	0.334	S	S	*	.	H	α-helix	trans	-67.8	-42.8	175.8	-170.7	-175.5	173.4	0	0	111.7	T146 T151 K152	T146-E148 PolarHBondContact O-N 3Å; E148-T151 PolarHBondContact O-N 3.31Å; E148-K152 HydrophobicContact CG-CD 4.28Å; E148-K152 WeakPolarHBondContact O-CB 3.1Å; E148-K152 WeakPolarHBondContact O-CG 3.26Å; E148-K152 PolarHBondContact O-N 3.12Å; E148-K152 WeakPolarHBondContact OE1-CE 3.33Å; E148-K152 IonicContact OE1-NZ 2.96Å; E148-K152 PolarHBondContact OE1-NZ 2.72Å
149	E	92.9	Very high	93	Very high	49 Å²	49	59.3 Å²	59.3	23%	0.229	32%	0.323	C	S	.	.	H	α-helix	trans	-63.5	-42.8	175.7	-74.7	174.5	152.8	0	0	111.5	V106 K107 I145 T146 S153	V106-E149 HydrophobicContact CG1-CB 3.81Å; K107-E149 WeakPolarHBondContact CD-OE1 3.41Å; K107-E149 VanDerWaalsContact NZ-CD 3.25Å; K107-E149 IonicContact NZ-OE1 2.67Å; K107-E149 PolarHBondContact NZ-OE1 3.14Å; K107-E149 IonicContact NZ-OE2 2.71Å; K107-E149 PolarHBondContact NZ-OE2 2.99Å; I145-E149 WeakPolarHBondContact CA-OE2 3.34Å; I145-E149 HydrophobicContact CB-CB 4.29Å; I145-E149 WeakPolarHBondContact CB-OE2 3.21Å; T146-E149 PolarHBondContact N-OE2 2.59Å; T146-E149 PolarHBondContact O-N 2.87Å; T146-E149 VanDerWaalsContact O-N 3.15Å; T146-E149 WeakPolarHBondContact OG1-CG 3.02Å; T146-E149 PolarHBondContact OG1-N 2.87Å; T146-E149 VanDerWaalsContact OG1-N 3.16Å; E149-S153 VanDerWaalsContact O-CB 3.27Å; E149-S153 WeakPolarHBondContact O-CB 3.47Å; E149-S153 PolarHBondContact O-N 3.25Å; E149-S153 PolarHBondContact O-OG 3.18Å
150	A	91.6	Very high	93.1	Very high	12 Å²	12	59.3 Å²	59.3	10%	0.099	32%	0.323	C	S	.	.	H	α-helix	trans	-63.4	-42.6	176.2	0	0	0	0	0	111.6	I145 T146 S153 S154	I145-A150 HydrophobicContact CD1-CB 3.95Å; T146-A150 PolarHBondContact O-N 2.8Å; A150-S153 CarbonylContact O-C 3.39Å; A150-S153 PolarHBondContact O-N 3.36Å; A150-S154 WeakPolarHBondContact O-CA 3.2Å; A150-S154 PolarHBondContact O-N 2.78Å
151	T	91.7	Very high	93.3	Very high	102 Å²	102	55.3 Å²	55.3	63%	0.626	30%	0.304	S	S	*	.	H	α-helix	trans	-66	-47	178.6	-57.7	0	0	0	0	111.6	D147 E148 S153 S154	D147-T151 WeakPolarHBondContact O-CB 3.44Å; D147-T151 PolarHBondContact O-N 3.26Å; D147-T151 PolarHBondContact O-OG1 3.07Å; E148-T151 PolarHBondContact O-N 3.31Å; T151-S153 PolarHBondContact O-N 2.93Å; T151-S154 WeakPolarHBondContact O-CB 3.38Å; T151-S154 PolarHBondContact O-N 3.31Å; T151-S154 PolarHBondContact O-OG 2.9Å
152	K	90.4	Very high	93.4	Very high	144 Å²	144	47.9 Å²	47.9	63%	0.626	27%	0.272	S	S	*	.	H	α-helix	trans	-63	-28.1	176.9	-74.6	178.6	-176.2	171.4	0	112.7	E148	E148-K152 HydrophobicContact CG-CD 4.28Å; E148-K152 WeakPolarHBondContact O-CB 3.1Å; E148-K152 WeakPolarHBondContact O-CG 3.26Å; E148-K152 PolarHBondContact O-N 3.12Å; E148-K152 WeakPolarHBondContact OE1-CE 3.33Å; E148-K152 IonicContact OE1-NZ 2.96Å; E148-K152 PolarHBondContact OE1-NZ 2.72Å
153	S	92	Very high	93.5	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.021	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	18.8	-178.8	-45.3	0	0	0	0	113.3	W132 L136 E149 A150 T151 Y155	W132-S153 PolarHBondContact NE1-O 3.4Å; L136-S153 VanDerWaalsContact CD1-O 3.28Å; L136-S153 WeakPolarHBondContact CD1-O 3.42Å; E149-S153 VanDerWaalsContact O-CB 3.27Å; E149-S153 WeakPolarHBondContact O-CB 3.47Å; E149-S153 PolarHBondContact O-N 3.25Å; E149-S153 PolarHBondContact O-OG 3.18Å; A150-S153 CarbonylContact O-C 3.39Å; A150-S153 PolarHBondContact O-N 3.36Å; T151-S153 PolarHBondContact O-N 2.93Å; S153-Y155 PolarHBondContact O-N 3.42Å
154	S	91.2	Very high	93.6	Very high	69 Å²	69	42.3 Å²	42.3	48%	0.483	22%	0.22	S	C	.	.	S	Bend	trans	-52.8	-24.9	-170	45.3	0	0	0	0	115.4	A150 T151	A150-S154 WeakPolarHBondContact O-CA 3.2Å; A150-S154 PolarHBondContact O-N 2.78Å; T151-S154 WeakPolarHBondContact O-CB 3.38Å; T151-S154 PolarHBondContact O-N 3.31Å; T151-S154 PolarHBondContact O-OG 2.9Å
155	Y	92.1	Very high	93.8	Very high	77 Å²	77	38.3 Å²	38.3	30%	0.302	20%	0.202	S	C	.	.			trans	-137.3	154.6	174.5	62.3	-80.9	0	0	0	111.4	S153 P329	S153-Y155 PolarHBondContact O-N 3.42Å; Y155-P329 HydrophobicContact CD1-CG 3.78Å; Y155-P329 HydrophobicContact CD2-CG 4.34Å; Y155-P329 HydrophobicContact CE1-CG 4.08Å; Y155-P329 HydrophobicContact CG-CB 4.38Å; Y155-P329 HydrophobicContact CG-CG 3.93Å
156	L	94.3	Very high	93.7	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.021	20%	0.204	C	C	.	.			trans	-115.8	119.5	174.3	-177.6	71.3	0	0	0	109.7	L105 L113 F128 R129 W132 I158	L105-L156 HydrophobicContact CD1-CD1 4.43Å; L113-L156 HydrophobicContact CB-CD1 4.34Å; F128-L156 HydrophobicContact CD1-CD2 3.75Å; F128-L156 HydrophobicContact CE1-CD2 3.82Å; R129-L156 WeakPolarHBondContact CD-O 3.19Å; R129-L156 WeakPolarHBondContact CG-O 3.49Å; R129-L156 PolarHBondContact NE-O 2.71Å; W132-L156 HydrophobicContact CB-CB 4.41Å; W132-L156 HydrophobicContact CD2-CB 3.59Å; W132-L156 HydrophobicContact CD2-CD2 4.09Å; W132-L156 HydrophobicContact CD2-CG 4.35Å; W132-L156 HydrophobicContact CE3-CB 4.04Å; W132-L156 HydrophobicContact CE3-CD2 3.63Å; W132-L156 HydrophobicContact CE3-CG 4.31Å; W132-L156 HydrophobicContact CG-CB 3.75Å; W132-L156 HydrophobicContact CH2-CD1 4.22Å; W132-L156 HydrophobicContact CZ2-CB 4.3Å; W132-L156 HydrophobicContact CZ2-CD1 4.36Å; W132-L156 HydrophobicContact CZ3-CD1 4.36Å; W132-L156 HydrophobicContact CZ3-CD2 3.86Å; W132-L156 HydrophobicContact CZ3-CG 4.49Å; L156-I158 HydrophobicContact CD2-CD1 3.75Å; L156-I158 HydrophobicContact CD2-CG1 3.89Å; L156-I158 HydrophobicContact CG-CD1 4.37Å; L156-I158 HydrophobicContact CG-CG1 3.95Å
157	N	94.7	Very high	93.8	Very high	8 Å²	8	35.9 Å²	35.9	4%	0.043	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	129.8	170	-70.1	-26.3	0	0	0	109.4	T111 N112 L113 L324 G327	T111-N157 PolarHBondContact O-N 3.3Å; N112-N157 CarbonylContact C-O 3.59Å; N112-N157 WeakPolarHBondContact CA-O 3.47Å; N112-N157 WeakPolarHBondContact OD1-CB 3.26Å; N112-N157 PolarHBondContact OD1-ND2 3.28Å; N112-N157 VanDerWaalsContact OD1-ND2 3.13Å; L113-N157 PolarHBondContact N-O 3.25Å; N157-L324 HydrophobicContact CB-CD2 3.96Å; N157-L324 PolarHBondContact ND2-O 3.01Å; N157-G327 PolarHBondContact ND2-O 3.45Å
158	I	95.7	Very high	93.8	Very high	6 Å²	6	31.3 Å²	31.3	3%	0.031	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	133	176.8	-62	-163.8	0	0	0	110.2	L113 A125 R129 L156 A333	L113-I158 HydrophobicContact CB-CG1 4.29Å; L113-I158 HydrophobicContact CD2-CD1 4.26Å; L113-I158 WeakPolarHBondContact O-CA 3.47Å; A125-I158 HydrophobicContact CB-CD1 4.14Å; A125-I158 HydrophobicContact CB-CG2 3.89Å; A125-I158 WeakPolarHBondContact O-CD1 3.35Å; R129-I158 HydrophobicContact CB-CD1 3.67Å; R129-I158 HydrophobicContact CB-CG1 4.08Å; L156-I158 HydrophobicContact CD2-CD1 3.75Å; L156-I158 HydrophobicContact CD2-CG1 3.89Å; L156-I158 HydrophobicContact CG-CD1 4.37Å; L156-I158 HydrophobicContact CG-CG1 3.95Å; I158-A333 HydrophobicContact CB-CB 4.45Å
159	V	96.2	Very high	93.6	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.018	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	129.2	167	174.7	0	0	0	0	109.9	L113 C114 V115 A320 A323 L324 C334 V336	L113-V159 PolarHBondContact O-N 3.29Å; C114-V159 WeakPolarHBondContact CA-O 3.31Å; V115-V159 PolarHBondContact N-O 3.31Å; V159-A320 HydrophobicContact CB-CB 4.4Å; V159-A320 HydrophobicContact CG1-CB 3.64Å; V159-A323 HydrophobicContact CG2-CB 3.68Å; V159-L324 HydrophobicContact CB-CD2 4.04Å; V159-L324 HydrophobicContact CB-CG 4.05Å; V159-L324 HydrophobicContact CG2-CD2 3.63Å; V159-L324 HydrophobicContact CG2-CG 3.66Å; V159-C334 WeakPolarHBondContact CA-O 3.11Å; V159-V336 HydrophobicContact CG1-CG2 3.75Å
160	G	96.1	Very high	93.4	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	139.6	173.9	0	0	0	0	0	112.7	V115 L122 C334 V335 V336	V115-G160 CarbonylContact O-C 3.47Å; V115-G160 WeakPolarHBondContact O-CA 3.48Å; L122-G160 VanDerWaalsContact CD2-CA 3.43Å; G160-C334 PolarHBondContact N-O 3.26Å; G160-V335 VanDerWaalsContact O-CA 3.3Å; G160-V335 WeakPolarHBondContact O-CA 3.37Å; G160-V335 WeakPolarHBondContact O-CG2 3.31Å; G160-V336 PolarHBondContact O-N 3.37Å
161	L	96.5	Very high	93.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	131.9	164.1	-59.7	-173.1	0	0	0	109.2	A33 V115 I116 G117 G163 I176 M316 A320 V336	A33-L161 HydrophobicContact CB-CD1 3.84Å; V115-L161 PolarHBondContact O-N 2.91Å; I116-L161 WeakPolarHBondContact CA-O 3.43Å; I116-L161 HydrophobicContact CB-CB 4.42Å; I116-L161 HydrophobicContact CD1-CD1 4.36Å; I116-L161 HydrophobicContact CG1-CB 4.08Å; I116-L161 HydrophobicContact CG1-CD1 4.07Å; I116-L161 HydrophobicContact CG1-CG 4.38Å; I116-L161 HydrophobicContact CG2-CB 4.26Å; G117-L161 PolarHBondContact N-O 3.43Å; L161-G163 PolarHBondContact O-N 3.29Å; L161-I176 HydrophobicContact CB-CD1 4.44Å; L161-M316 HydrophobicContact CD1-CB 4.31Å; L161-M316 HydrophobicContact CD2-CB 3.84Å; L161-A320 HydrophobicContact CD1-CB 4.3Å; L161-A320 HydrophobicContact CD2-CB 4Å; L161-A320 HydrophobicContact CG-CB 4.34Å; L161-V336 HydrophobicContact CD2-CB 3.54Å; L161-V336 HydrophobicContact CD2-CG1 4.5Å; L161-V336 HydrophobicContact CD2-CG2 3.81Å
162	V	95.5	Very high	93	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.012	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	100.9	-176.1	-165.4	0	0	0	0	110.6	G117 L122 F169 T175 I176 V335	G117-V162 WeakPolarHBondContact O-CA 3.47Å; L122-V162 HydrophobicContact CD1-CG2 3.89Å; V162-F169 HydrophobicContact CG1-CB 3.69Å; V162-F169 HydrophobicContact CG1-CD1 4.38Å; V162-F169 HydrophobicContact CG1-CD2 4.36Å; V162-F169 HydrophobicContact CG1-CG 3.91Å; V162-F169 HydrophobicContact CG2-CB 4.38Å; V162-F169 HydrophobicContact CG2-CD1 3.5Å; V162-F169 VanDerWaalsContact CG2-CD1 3.5Å; V162-F169 HydrophobicContact CG2-CD2 4.37Å; V162-F169 HydrophobicContact CG2-CE1 3.71Å; V162-F169 HydrophobicContact CG2-CG 3.84Å; V162-F169 HydrophobicContact CG2-CZ 4.26Å; V162-T175 HydrophobicContact CB-CG2 4.01Å; V162-T175 HydrophobicContact CG1-CG2 3.42Å; V162-T175 VanDerWaalsContact CG1-CG2 3.42Å; V162-I176 PolarHBondContact O-N 2.74Å; V162-V335 HydrophobicContact CG2-CG2 3.6Å
163	G	95.5	Very high	92.9	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.01	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	101.5	171.1	0	0	0	0	0	110.3	M30 G117 L161	M30-G163 WeakPolarHBondContact CE-O 3.29Å; G117-G163 CarbonylContact C-O 3.45Å; G117-G163 PolarHBondContact O-N 3.17Å; L161-G163 PolarHBondContact O-N 3.29Å
164	S	94.9	Very high	93	Very high	11 Å²	11	17.8 Å²	17.8	8%	0.077	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	144.8	-179.1	179.5	0	0	0	0	109.3	D166 T175 I176 T178	S164-D166 PolarHBondContact OG-N 3.27Å; S164-T175 WeakPolarHBondContact O-CB 3.48Å; S164-T175 PolarHBondContact O-OG1 2.55Å; S164-I176 PolarHBondContact N-O 3.34Å; S164-I176 VanDerWaalsContact O-O 3.09Å; S164-T178 PolarHBondContact O-OG1 2.76Å
165	I	95.6	Very high	93.1	Very high	6 Å²	6	14.5 Å²	14.5	3%	0.031	8%	0.08	C	C	.	.	S	Bend	trans	-84.1	-17.6	172.9	63.5	155.2	0	0	0	112.7	A27 N167 T178 A181 M208 L215 Q300 R301	A27-I165 HydrophobicContact CB-CG2 4.18Å; I165-N167 VanDerWaalsContact C-N 3.33Å; I165-N167 PolarHBondContact O-N 3.33Å; I165-T178 PolarHBondContact O-OG1 3.28Å; I165-A181 HydrophobicContact CB-CB 3.75Å; I165-A181 HydrophobicContact CD1-CB 4.47Å; I165-A181 HydrophobicContact CG2-CB 3.89Å; I165-M208 HydrophobicContact CD1-CB 4.03Å; I165-M208 HydrophobicContact CD1-SD 4.31Å; I165-L215 HydrophobicContact CD1-CD1 4.25Å; I165-L215 WeakPolarHBondContact O-CD1 3.49Å; I165-L215 WeakPolarHBondContact O-CD2 3.16Å; I165-L215 WeakPolarHBondContact O-CG 3.28Å; I165-Q300 HydrophobicContact CD1-CB 4.37Å; I165-R301 HydrophobicContact CD1-CG 3.71Å; I165-R301 HydrophobicContact CG1-CG 4.33Å; I165-R301 HydrophobicContact CG2-CG 4.48Å
166	D	94.1	Very high	93.3	Very high	15 Å²	15	10.9 Å²	10.9	8%	0.08	7%	0.066	C	C	.	.	S	Bend	trans	-78.5	-20.7	-166.7	-58.1	-35.1	0	0	0	112.6	S164 D168 G209	S164-D166 PolarHBondContact OG-N 3.27Å; D166-D168 HydrophobicContact CB-CB 4.1Å; D166-D168 PolarHBondContact O-N 3.21Å; D166-G209 WeakPolarHBondContact OD1-CA 3.49Å; D166-G209 PolarHBondContact OD1-N 3.24Å
167	N	94	Very high	93.5	Very high	16 Å²	16	10.7 Å²	10.7	9%	0.086	7%	0.065	C	C	.	.			trans	50.7	39	-169.6	-155.5	33.2	0	0	0	113.7	I165 D173 M174 T175 T178 Y214	I165-N167 VanDerWaalsContact C-N 3.33Å; I165-N167 PolarHBondContact O-N 3.33Å; N167-D173 PolarHBondContact ND2-O 3.45Å; N167-M174 WeakPolarHBondContact OD1-CA 3.42Å; N167-T175 PolarHBondContact OD1-N 3.12Å; N167-T175 VanDerWaalsContact OD1-N 3.08Å; N167-T178 HydrophobicContact CB-CG2 3.81Å; N167-T178 WeakPolarHBondContact CB-OG1 3.47Å; N167-T178 PolarHBondContact N-OG1 2.89Å; N167-Y214 HydrophobicContact CB-CD1 3.66Å; N167-Y214 HydrophobicContact CB-CE1 4.2Å; N167-Y214 HydrophobicContact CB-CG 3.89Å; N167-Y214 WeakPolarHBondContact ND2-CE1 3.28Å; N167-Y214 WeakPolarHBondContact ND2-CE2 3.32Å
168	D	91.3	Very high	93.6	Very high	11 Å²	11	10.3 Å²	10.3	6%	0.059	6%	0.063	C	C	.	.			trans	-93.9	-7.4	-173.1	66.4	-21.1	0	0	0	114	D166 C170 R210 C212 T355 R374	D166-D168 HydrophobicContact CB-CB 4.1Å; D166-D168 PolarHBondContact O-N 3.21Å; D168-C170 PolarHBondContact O-N 2.97Å; D168-R210 IonicContact OD2-NH1 3.63Å; D168-C212 HydrophobicContact CB-CB 3.75Å; D168-T355 WeakPolarHBondContact O-CG2 3.46Å; D168-R374 VanDerWaalsContact CA-NH1 3.35Å; D168-R374 PolarHBondContact O-NH1 2.67Å
169	F	89.8	Confident	93.6	Very high	5 Å²	5	10.3 Å²	10.3	2%	0.022	6%	0.063	C	C	.	.			trans	-84.4	113	-177.1	-166	-93.3	0	0	0	112.2	D119 L122 V162 G171 T172 T175 V335 C351 V352	D119-F169 HydrophobicContact CB-CD2 4.14Å; D119-F169 HydrophobicContact CB-CE2 4.5Å; L122-F169 HydrophobicContact CD1-CE2 3.84Å; L122-F169 HydrophobicContact CD1-CZ 3.9Å; V162-F169 HydrophobicContact CG1-CB 3.69Å; V162-F169 HydrophobicContact CG1-CD1 4.38Å; V162-F169 HydrophobicContact CG1-CD2 4.36Å; V162-F169 HydrophobicContact CG1-CG 3.91Å; V162-F169 HydrophobicContact CG2-CB 4.38Å; V162-F169 HydrophobicContact CG2-CD1 3.5Å; V162-F169 VanDerWaalsContact CG2-CD1 3.5Å; V162-F169 HydrophobicContact CG2-CD2 4.37Å; V162-F169 HydrophobicContact CG2-CE1 3.71Å; V162-F169 HydrophobicContact CG2-CG 3.84Å; V162-F169 HydrophobicContact CG2-CZ 4.26Å; F169-G171 PolarHBondContact O-N 3.43Å; F169-T172 HydrophobicContact CD1-CG2 4.38Å; F169-T175 HydrophobicContact CB-CG2 4.17Å; F169-V335 HydrophobicContact CE1-CG1 4.05Å; F169-V335 HydrophobicContact CE1-CG2 4.05Å; F169-V335 HydrophobicContact CZ-CG1 4.4Å; F169-V335 HydrophobicContact CZ-CG2 4.36Å; F169-C351 HydrophobicContact CD1-CB 4.31Å; F169-C351 HydrophobicContact CE1-CB 3.33Å; F169-C351 HydrophobicContact CE2-CB 4.41Å; F169-C351 HydrophobicContact CZ-CB 3.39Å; F169-V352 HydrophobicContact CE2-CG2 4.07Å; F169-V352 HydrophobicContact CZ-CG2 4.37Å
170	C	88.4	Confident	93.7	Very high	10 Å²	10	10.3 Å²	10.3	7%	0.068	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	130.4	179.5	-68	0	0	0	0	111.7	D168 C351 V354 T355	D168-C170 PolarHBondContact O-N 2.97Å; C170-C351 VanDerWaalsContact O-CB 3.28Å; C170-C351 WeakPolarHBondContact O-CB 3.23Å; C170-V354 HydrophobicContact CB-CB 3.97Å; C170-V354 HydrophobicContact CB-CG1 3.52Å; C170-T355 PolarHBondContact N-OG1 2.93Å
171	G	85.2	Confident	93.8	Very high	26 Å²	26	10.3 Å²	10.3	27%	0.268	6%	0.063	S	C	.	.	T	Hydrogen-bonded Turn	trans	122.6	-23.1	177.9	0	0	0	0	0	113.5	F169 L346	F169-G171 PolarHBondContact O-N 3.43Å; G171-L346 WeakPolarHBondContact O-CD1 3.29Å
172	T	89.8	Confident	93.8	Very high	13 Å²	13	10.5 Å²	10.5	8%	0.08	6%	0.064	C	C	.	.			trans	-110.3	141.3	172.4	-167.9	0	0	0	0	110.7	F169 M174 T175 L338	F169-T172 HydrophobicContact CD1-CG2 4.38Å; T172-M174 VanDerWaalsContact C-N 3.29Å; T172-M174 PolarHBondContact OG1-O 3Å; T172-T175 HydrophobicContact CG2-CG2 3.71Å; T172-L338 PolarHBondContact OG1-N 3.18Å
173	D	88.7	Confident	94	Very high	65 Å²	65	12.1 Å²	12.1	35%	0.348	7%	0.071	S	C	.	.	S	Bend	trans	-72.2	-27.4	175.2	-74.6	-33.8	0	0	0	112.2	N167 L338 S339 G340	N167-D173 PolarHBondContact ND2-O 3.45Å; D173-L338 PolarHBondContact N-O 3.43Å; D173-S339 WeakPolarHBondContact OD2-CA 3.26Å; D173-G340 PolarHBondContact OD2-N 2.77Å
174	M	92.5	Very high	94	Very high	26 Å²	26	15.4 Å²	15.4	13%	0.128	8%	0.083	C	C	.	.	S	Bend	trans	-149.1	135	178.9	-162.2	61.2	64.5	0	0	110.7	N167 T172 T178 Y214 F308 L338	N167-M174 WeakPolarHBondContact OD1-CA 3.42Å; T172-M174 VanDerWaalsContact C-N 3.29Å; T172-M174 PolarHBondContact OG1-O 3Å; M174-T178 VanDerWaalsContact SD-CB 3.5Å; M174-T178 HydrophobicContact SD-CG2 3.41Å; M174-T178 WeakPolarHBondContact SD-CG2 3.4Å; M174-Y214 HydrophobicContact CE-CE1 4.18Å; M174-Y214 WeakPolarHBondContact CE-OH 3.31Å; M174-Y214 HydrophobicContact SD-CE1 4.29Å; M174-F308 HydrophobicContact CB-CE1 4.19Å; M174-F308 HydrophobicContact CB-CZ 4.24Å; M174-F308 HydrophobicContact CG-CE1 3.64Å; M174-F308 HydrophobicContact CG-CZ 4.13Å; M174-L338 HydrophobicContact CB-CD2 4.09Å
175	T	94.9	Very high	94.2	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.08	C	C	.	.			trans	-91	152.5	170.3	57.4	0	0	0	0	111.3	V162 S164 N167 F169 T172 G177 T178	V162-T175 HydrophobicContact CB-CG2 4.01Å; V162-T175 HydrophobicContact CG1-CG2 3.42Å; V162-T175 VanDerWaalsContact CG1-CG2 3.42Å; S164-T175 WeakPolarHBondContact O-CB 3.48Å; S164-T175 PolarHBondContact O-OG1 2.55Å; N167-T175 PolarHBondContact OD1-N 3.12Å; N167-T175 VanDerWaalsContact OD1-N 3.08Å; F169-T175 HydrophobicContact CB-CG2 4.17Å; T172-T175 HydrophobicContact CG2-CG2 3.71Å; T175-G177 PolarHBondContact O-N 3.31Å; T175-G177 VanDerWaalsContact O-N 3.15Å; T175-T178 PolarHBondContact O-N 3.11Å; T175-T178 PolarHBondContact OG1-OG1 3.21Å
176	I	96.6	Very high	94.2	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	116.6	177	-58.3	167.4	0	0	0	108.6	A27 G29 A33 L161 V162 S164 L312 M316	A27-I176 WeakPolarHBondContact CB-O 3.46Å; G29-I176 VanDerWaalsContact C-CG2 3.42Å; A33-I176 HydrophobicContact CB-CD1 4.14Å; L161-I176 HydrophobicContact CB-CD1 4.44Å; V162-I176 PolarHBondContact O-N 2.74Å; S164-I176 PolarHBondContact N-O 3.34Å; S164-I176 VanDerWaalsContact O-O 3.09Å; I176-L312 HydrophobicContact CG1-CD2 4.07Å; I176-L312 HydrophobicContact CG1-CG 4.15Å; I176-M316 HydrophobicContact CD1-SD 3.77Å; I176-M316 HydrophobicContact CG1-SD 3.74Å
177	G	96.6	Very high	94.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	110.3	-13.9	175.7	0	0	0	0	0	115.3	Q28 T175 S180 A181 D309	Q28-G177 WeakPolarHBondContact O-CA 3.34Å; Q28-G177 PolarHBondContact O-N 3.31Å; T175-G177 PolarHBondContact O-N 3.31Å; T175-G177 VanDerWaalsContact O-N 3.15Å; G177-S180 PolarHBondContact O-N 3.4Å; G177-A181 WeakPolarHBondContact O-CB 3.35Å; G177-A181 PolarHBondContact O-N 2.93Å; G177-D309 VanDerWaalsContact CA-OD2 3.27Å; G177-D309 WeakPolarHBondContact CA-OD2 3.36Å; G177-D309 PolarHBondContact N-OD1 2.73Å; G177-D309 PolarHBondContact N-OD2 3.3Å
178	T	96.9	Very high	94.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.4	-45.2	178.1	-67	0	0	0	0	111.7	S164 I165 N167 M174 T175 S180 A181 L182 Y214 L215	S164-T178 PolarHBondContact O-OG1 2.76Å; I165-T178 PolarHBondContact O-OG1 3.28Å; N167-T178 HydrophobicContact CB-CG2 3.81Å; N167-T178 WeakPolarHBondContact CB-OG1 3.47Å; N167-T178 PolarHBondContact N-OG1 2.89Å; M174-T178 VanDerWaalsContact SD-CB 3.5Å; M174-T178 HydrophobicContact SD-CG2 3.41Å; M174-T178 WeakPolarHBondContact SD-CG2 3.4Å; T175-T178 PolarHBondContact O-N 3.11Å; T175-T178 PolarHBondContact OG1-OG1 3.21Å; T178-S180 PolarHBondContact O-N 3.01Å; T178-A181 PolarHBondContact O-N 3.44Å; T178-L182 HydrophobicContact CG2-CD1 4.33Å; T178-L182 WeakPolarHBondContact O-CG 3.31Å; T178-L182 PolarHBondContact O-N 3.2Å; T178-Y214 HydrophobicContact CG2-CD1 3.85Å; T178-Y214 HydrophobicContact CG2-CE1 3.73Å; T178-L215 HydrophobicContact CG2-CD2 3.97Å
179	D	97.1	Very high	94.4	Very high	7 Å²	7	20 Å²	20	4%	0.037	10%	0.103	C	C	.	.	H	α-helix	trans	-64.8	-42.5	-179	-178.8	70.6	0	0	0	111.1	A181 L182 H183 S306 F308	D179-A181 VanDerWaalsContact C-N 3.35Å; D179-A181 PolarHBondContact O-N 2.98Å; D179-L182 WeakPolarHBondContact O-CB 3.39Å; D179-L182 PolarHBondContact O-N 3.3Å; D179-H183 PolarHBondContact O-CD2 3.4Å; D179-H183 VanDerWaalsContact O-CD2 3.27Å; D179-H183 PolarHBondContact O-N 3.46Å; D179-H183 IonicContact OD2-CD2 3.34Å; D179-H183 IonicContact OD2-NE2 3.29Å; D179-S306 WeakPolarHBondContact OD2-CB 3.33Å; D179-S306 PolarHBondContact OD2-OG 3.3Å; D179-F308 HydrophobicContact CB-CB 4.45Å; D179-F308 HydrophobicContact CB-CD1 3.74Å; D179-F308 HydrophobicContact CB-CE1 4.47Å; D179-F308 HydrophobicContact CB-CG 4.42Å
180	S	97.9	Very high	94.6	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.014	11%	0.113	C	C	.	.	H	α-helix	trans	-61.5	-40.5	174.3	-61.2	0	0	0	0	112.8	Q28 G177 T178 L182 H183 R184 P305 S306 D309	Q28-S180 WeakPolarHBondContact CB-OG 3.28Å; G177-S180 PolarHBondContact O-N 3.4Å; T178-S180 PolarHBondContact O-N 3.01Å; S180-L182 VanDerWaalsContact C-N 3.35Å; S180-H183 WeakPolarHBondContact O-CB 3.29Å; S180-H183 PolarHBondContact O-N 3.19Å; S180-R184 WeakPolarHBondContact O-CG 3.49Å; S180-R184 PolarHBondContact O-N 2.78Å; S180-R184 VanDerWaalsContact O-N 3.09Å; S180-P305 WeakPolarHBondContact OG-CA 2.95Å; S180-S306 PolarHBondContact OG-N 2.56Å; S180-D309 WeakPolarHBondContact CB-OD2 3.45Å; S180-D309 PolarHBondContact N-OD2 2.88Å; S180-D309 PolarHBondContact OG-OD2 3.35Å
181	A	97.9	Very high	94.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61.7	-43.9	174.2	0	0	0	0	0	111.2	I165 G177 T178 D179 H183 R184 I185 L215 Q300	I165-A181 HydrophobicContact CB-CB 3.75Å; I165-A181 HydrophobicContact CD1-CB 4.47Å; I165-A181 HydrophobicContact CG2-CB 3.89Å; G177-A181 WeakPolarHBondContact O-CB 3.35Å; G177-A181 PolarHBondContact O-N 2.93Å; T178-A181 PolarHBondContact O-N 3.44Å; D179-A181 VanDerWaalsContact C-N 3.35Å; D179-A181 PolarHBondContact O-N 2.98Å; A181-H183 VanDerWaalsContact C-N 3.29Å; A181-H183 PolarHBondContact O-N 3.16Å; A181-R184 PolarHBondContact O-N 3.06Å; A181-R184 VanDerWaalsContact O-N 3.11Å; A181-I185 WeakPolarHBondContact O-CD1 3.27Å; A181-I185 VanDerWaalsContact O-CG1 3.28Å; A181-I185 WeakPolarHBondContact O-CG1 3.44Å; A181-I185 PolarHBondContact O-N 3.42Å; A181-L215 HydrophobicContact CB-CD1 4.45Å; A181-L215 HydrophobicContact CB-CD2 4.2Å; A181-Q300 WeakPolarHBondContact CA-O 3.44Å; A181-Q300 WeakPolarHBondContact CB-O 3.41Å
182	L	97.7	Very high	95.2	Very high	5 Å²	5	23.9 Å²	23.9	3%	0.026	13%	0.126	C	C	.	.	H	α-helix	trans	-59.1	-39	173.4	-70.1	169.9	0	0	0	112.2	T178 D179 S180 R184 I185 M186 Y214 L215 V218 P670	T178-L182 HydrophobicContact CG2-CD1 4.33Å; T178-L182 WeakPolarHBondContact O-CG 3.31Å; T178-L182 PolarHBondContact O-N 3.2Å; D179-L182 WeakPolarHBondContact O-CB 3.39Å; D179-L182 PolarHBondContact O-N 3.3Å; S180-L182 VanDerWaalsContact C-N 3.35Å; L182-R184 VanDerWaalsContact C-N 3.35Å; L182-R184 PolarHBondContact O-N 2.82Å; L182-I185 HydrophobicContact CD2-CD1 4.37Å; L182-I185 PolarHBondContact O-N 3.46Å; L182-M186 WeakPolarHBondContact O-CB 3.2Å; L182-M186 WeakPolarHBondContact O-CG 3.23Å; L182-M186 PolarHBondContact O-N 3.01Å; L182-Y214 HydrophobicContact CD1-CE1 4.47Å; L182-L215 HydrophobicContact CD2-CD2 3.67Å; L182-L215 HydrophobicContact CG-CD2 3.69Å; L182-V218 HydrophobicContact CD1-CB 4.27Å; L182-V218 HydrophobicContact CD1-CG1 3.73Å; L182-V218 HydrophobicContact CD2-CB 3.95Å; L182-V218 HydrophobicContact CD2-CG1 3.89Å; L182-V218 HydrophobicContact CG-CG1 4.46Å; L182-P670 VanDerWaalsContact C-CG 3.46Å; L182-P670 HydrophobicContact CB-CB 3.77Å; L182-P670 HydrophobicContact CB-CG 3.85Å; L182-P670 WeakPolarHBondContact O-CG 3.31Å
183	H	97.7	Very high	95.2	Very high	35 Å²	35	24.6 Å²	24.6	16%	0.162	13%	0.13	C	C	.	.	H	α-helix	trans	-60.8	-42.9	174.4	-89.6	-114.8	0	0	0	111.8	D179 S180 A181 E187 T669 P670	D179-H183 PolarHBondContact O-CD2 3.4Å; D179-H183 VanDerWaalsContact O-CD2 3.27Å; D179-H183 PolarHBondContact O-N 3.46Å; D179-H183 IonicContact OD2-CD2 3.34Å; D179-H183 IonicContact OD2-NE2 3.29Å; S180-H183 WeakPolarHBondContact O-CB 3.29Å; S180-H183 PolarHBondContact O-N 3.19Å; A181-H183 VanDerWaalsContact C-N 3.29Å; A181-H183 PolarHBondContact O-N 3.16Å; H183-E187 PolarHBondContact O-N 3.19Å; H183-E187 VanDerWaalsContact O-N 3.11Å; H183-T669 VanDerWaalsContact CE1-CG2 3.45Å; H183-T669 WeakPolarHBondContact CE1-CG2 3.46Å; H183-P670 HydrophobicContact CB-CG 4.48Å; H183-P670 VanDerWaalsContact CD2-CD 3.41Å; H183-P670 WeakPolarHBondContact CD2-CD 3.06Å; H183-P670 WeakPolarHBondContact NE2-CD 3.09Å
184	R	97.3	Very high	95.1	Very high	71 Å²	71	25.8 Å²	25.8	27%	0.268	14%	0.14	S	C	.	.	H	α-helix	trans	-65.9	-43.3	176.8	-61.6	-61.6	86.6	-150.3	-7.8	111.7	S180 A181 L182 M186 E187 I188 V299 G302	S180-R184 WeakPolarHBondContact O-CG 3.49Å; S180-R184 PolarHBondContact O-N 2.78Å; S180-R184 VanDerWaalsContact O-N 3.09Å; A181-R184 PolarHBondContact O-N 3.06Å; A181-R184 VanDerWaalsContact O-N 3.11Å; L182-R184 VanDerWaalsContact C-N 3.35Å; L182-R184 PolarHBondContact O-N 2.82Å; R184-M186 PolarHBondContact O-N 3.31Å; R184-E187 IonicContact CZ-OE2 3.84Å; R184-E187 IonicContact NH1-OE1 2.98Å; R184-E187 IonicContact NH1-OE2 3.6Å; R184-E187 PolarHBondContact NH1-OE2 3.36Å; R184-E187 IonicContact NH2-OE2 3.57Å; R184-E187 PolarHBondContact NH2-OE2 2.94Å; R184-E187 PolarHBondContact O-N 3.32Å; R184-I188 WeakPolarHBondContact O-CG1 3Å; R184-I188 PolarHBondContact O-N 3.03Å; R184-V299 WeakPolarHBondContact CG-O 3.24Å; R184-G302 WeakPolarHBondContact CD-O 3.47Å
185	I	97.4	Very high	95	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-59.6	-48.5	176.9	-64.6	158.6	0	0	0	110	A181 L182 E187 I188 V189 V207 L215 T219 L296 Q300	A181-I185 WeakPolarHBondContact O-CD1 3.27Å; A181-I185 VanDerWaalsContact O-CG1 3.28Å; A181-I185 WeakPolarHBondContact O-CG1 3.44Å; A181-I185 PolarHBondContact O-N 3.42Å; L182-I185 HydrophobicContact CD2-CD1 4.37Å; L182-I185 PolarHBondContact O-N 3.46Å; I185-E187 PolarHBondContact O-N 3.48Å; I185-I188 PolarHBondContact O-N 3.4Å; I185-V189 HydrophobicContact CG2-CG2 4.03Å; I185-V189 VanDerWaalsContact O-CG2 3.24Å; I185-V189 WeakPolarHBondContact O-CG2 3.26Å; I185-V189 PolarHBondContact O-N 2.92Å; I185-V207 HydrophobicContact CD1-CG1 3.48Å; I185-V207 VanDerWaalsContact CD1-CG1 3.48Å; I185-V207 HydrophobicContact CG1-CG1 4.17Å; I185-V207 HydrophobicContact CG2-CG2 4.33Å; I185-L215 HydrophobicContact CD1-CB 4.16Å; I185-L215 HydrophobicContact CD1-CD1 4.33Å; I185-L215 HydrophobicContact CD1-CD2 4.17Å; I185-L215 HydrophobicContact CD1-CG 4.47Å; I185-T219 HydrophobicContact CG2-CG2 3.53Å; I185-T219 WeakPolarHBondContact CG2-OG1 3.1Å; I185-L296 HydrophobicContact CB-CD2 4.12Å; I185-L296 HydrophobicContact CG1-CD2 3.91Å; I185-L296 HydrophobicContact CG2-CD2 3.87Å; I185-Q300 HydrophobicContact CD1-CG 4.47Å; I185-Q300 HydrophobicContact CG1-CG 3.81Å
186	M	96	Very high	94.6	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.02	15%	0.149	C	C	.	.	H	α-helix	trans	-67	-34.3	-177.2	-72.5	-51.6	-47.2	0	0	113.5	L182 R184 I188 V189 D190 T219 C223 P670	L182-M186 WeakPolarHBondContact O-CB 3.2Å; L182-M186 WeakPolarHBondContact O-CG 3.23Å; L182-M186 PolarHBondContact O-N 3.01Å; R184-M186 PolarHBondContact O-N 3.31Å; M186-I188 VanDerWaalsContact C-N 3.31Å; M186-I188 PolarHBondContact O-N 3.01Å; M186-V189 HydrophobicContact CE-CB 4.36Å; M186-V189 HydrophobicContact CE-CG1 4.34Å; M186-V189 PolarHBondContact O-N 3.22Å; M186-D190 WeakPolarHBondContact O-CB 3.3Å; M186-D190 VanDerWaalsContact O-CG 3.25Å; M186-D190 PolarHBondContact O-N 2.97Å; M186-T219 HydrophobicContact SD-CG2 4.32Å; M186-C223 HydrophobicContact CE-CB 4.02Å; M186-C223 HydrophobicContact SD-CB 4.44Å; M186-P670 HydrophobicContact CB-CG 4.11Å; M186-P670 HydrophobicContact CG-CB 3.95Å; M186-P670 HydrophobicContact CG-CG 3.69Å
187	E	94.9	Very high	94.1	Very high	109 Å²	109	31.2 Å²	31.2	51%	0.509	17%	0.169	S	C	.	.	H	α-helix	trans	-59.1	-43.7	172.5	-176.2	176.6	144.4	0	0	111.6	H183 R184 I185 A191	H183-E187 PolarHBondContact O-N 3.19Å; H183-E187 VanDerWaalsContact O-N 3.11Å; R184-E187 IonicContact CZ-OE2 3.84Å; R184-E187 IonicContact NH1-OE1 2.98Å; R184-E187 IonicContact NH1-OE2 3.6Å; R184-E187 PolarHBondContact NH1-OE2 3.36Å; R184-E187 IonicContact NH2-OE2 3.57Å; R184-E187 PolarHBondContact NH2-OE2 2.94Å; R184-E187 PolarHBondContact O-N 3.32Å; I185-E187 PolarHBondContact O-N 3.48Å; E187-A191 WeakPolarHBondContact O-CB 3.44Å; E187-A191 PolarHBondContact O-N 2.97Å
188	I	95.2	Very high	93.7	Very high	42 Å²	42	35.1 Å²	35.1	22%	0.215	20%	0.196	C	C	.	.	H	α-helix	trans	-69.8	-44.2	179.1	-63.7	165.5	0	0	0	110.8	R184 I185 M186 D190 A191 I192 L296 V299	R184-I188 WeakPolarHBondContact O-CG1 3Å; R184-I188 PolarHBondContact O-N 3.03Å; I185-I188 PolarHBondContact O-N 3.4Å; M186-I188 VanDerWaalsContact C-N 3.31Å; M186-I188 PolarHBondContact O-N 3.01Å; I188-D190 VanDerWaalsContact C-N 3.33Å; I188-D190 PolarHBondContact O-N 3.36Å; I188-A191 PolarHBondContact O-N 3.33Å; I188-I192 HydrophobicContact CG2-CD1 3.69Å; I188-I192 HydrophobicContact CG2-CG1 4.32Å; I188-I192 WeakPolarHBondContact O-CB 3.44Å; I188-I192 VanDerWaalsContact O-CG1 3.29Å; I188-I192 WeakPolarHBondContact O-CG1 3.33Å; I188-I192 PolarHBondContact O-N 3.41Å; I188-L296 HydrophobicContact CD1-CB 4.39Å; I188-L296 HydrophobicContact CD1-CD2 4.14Å; I188-L296 HydrophobicContact CD1-CG 3.9Å; I188-L296 HydrophobicContact CG2-CD1 4.34Å; I188-L296 HydrophobicContact CG2-CG 4.1Å; I188-V299 HydrophobicContact CD1-CB 4.3Å; I188-V299 HydrophobicContact CD1-CG2 3.32Å
189	V	94.4	Very high	93.2	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	22%	0.219	C	C	.	.	H	α-helix	trans	-60.6	-43.6	178.1	173.7	0	0	0	0	111	I185 M186 I192 T193 L205 T219 C223 I259	I185-V189 HydrophobicContact CG2-CG2 4.03Å; I185-V189 VanDerWaalsContact O-CG2 3.24Å; I185-V189 WeakPolarHBondContact O-CG2 3.26Å; I185-V189 PolarHBondContact O-N 2.92Å; M186-V189 HydrophobicContact CE-CB 4.36Å; M186-V189 HydrophobicContact CE-CG1 4.34Å; M186-V189 PolarHBondContact O-N 3.22Å; V189-I192 PolarHBondContact O-N 2.85Å; V189-T193 WeakPolarHBondContact O-CB 3.46Å; V189-T193 PolarHBondContact O-N 2.93Å; V189-T193 PolarHBondContact O-OG1 3.42Å; V189-L205 HydrophobicContact CB-CD1 4.46Å; V189-L205 HydrophobicContact CG1-CD1 4.48Å; V189-L205 HydrophobicContact CG2-CD1 3.72Å; V189-T219 HydrophobicContact CG2-CG2 4.14Å; V189-C223 HydrophobicContact CG1-CB 3.52Å; V189-I259 HydrophobicContact CG1-CD1 4.33Å
190	D	93.4	Very high	92.7	Very high	42 Å²	42	44.6 Å²	44.6	23%	0.225	24%	0.239	C	C	.	.	H	α-helix	trans	-64.9	-42.1	177.5	-74	-10.4	0	0	0	111.1	M186 I188 T193 T194 R673	M186-D190 WeakPolarHBondContact O-CB 3.3Å; M186-D190 VanDerWaalsContact O-CG 3.25Å; M186-D190 PolarHBondContact O-N 2.97Å; I188-D190 VanDerWaalsContact C-N 3.33Å; I188-D190 PolarHBondContact O-N 3.36Å; D190-T193 WeakPolarHBondContact O-CB 3.29Å; D190-T193 PolarHBondContact O-N 3.45Å; D190-T194 PolarHBondContact O-N 2.83Å; D190-R673 IonicContact OD1-CZ 3.46Å; D190-R673 IonicContact OD1-NH1 2.89Å; D190-R673 PolarHBondContact OD1-NH1 3.5Å; D190-R673 IonicContact OD1-NH2 3.27Å; D190-R673 IonicContact OD2-CZ 2.85Å; D190-R673 IonicContact OD2-NH1 3.4Å; D190-R673 PolarHBondContact OD2-NH1 2.89Å; D190-R673 IonicContact OD2-NH2 3.47Å; D190-R673 PolarHBondContact OD2-NH2 2.71Å
191	A	93.4	Very high	92.4	Very high	61 Å²	61	47 Å²	47	50%	0.504	25%	0.248	S	C	.	.	H	α-helix	trans	-60.7	-46.7	175.2	0	0	0	0	0	111.9	E187 I188 T193 T194	E187-A191 WeakPolarHBondContact O-CB 3.44Å; E187-A191 PolarHBondContact O-N 2.97Å; I188-A191 PolarHBondContact O-N 3.33Å; A191-T193 VanDerWaalsContact C-N 3.32Å; A191-T193 PolarHBondContact O-N 3.03Å; A191-T194 PolarHBondContact O-N 2.81Å; A191-T194 PolarHBondContact O-OG1 2.92Å
192	I	92.6	Very high	92.2	Very high	19 Å²	19	47 Å²	47	10%	0.097	25%	0.248	C	C	.	.	H	α-helix	trans	-63.3	-39.4	177.8	-70.3	171.9	0	0	0	111.3	I188 V189 T194 T195 A196 F203 L205 T294	I188-I192 HydrophobicContact CG2-CD1 3.69Å; I188-I192 HydrophobicContact CG2-CG1 4.32Å; I188-I192 WeakPolarHBondContact O-CB 3.44Å; I188-I192 VanDerWaalsContact O-CG1 3.29Å; I188-I192 WeakPolarHBondContact O-CG1 3.33Å; I188-I192 PolarHBondContact O-N 3.41Å; V189-I192 PolarHBondContact O-N 2.85Å; I192-T194 PolarHBondContact O-N 2.98Å; I192-T195 WeakPolarHBondContact O-CG2 3.35Å; I192-T195 PolarHBondContact O-N 3.46Å; I192-A196 HydrophobicContact CG2-CB 4.44Å; I192-A196 WeakPolarHBondContact O-CB 3.4Å; I192-A196 PolarHBondContact O-N 3.12Å; I192-F203 HydrophobicContact CG2-CB 4.13Å; I192-F203 HydrophobicContact CG2-CD1 3.4Å; I192-F203 HydrophobicContact CG2-CD2 3.91Å; I192-F203 HydrophobicContact CG2-CE1 3.64Å; I192-F203 HydrophobicContact CG2-CE2 4.13Å; I192-F203 HydrophobicContact CG2-CG 3.53Å; I192-F203 HydrophobicContact CG2-CZ 3.99Å; I192-L205 HydrophobicContact CD1-CD1 4.42Å; I192-L205 HydrophobicContact CD1-CD2 3.46Å; I192-L205 VanDerWaalsContact CD1-CD2 3.46Å; I192-L205 HydrophobicContact CG2-CD2 4.49Å; I192-T294 HydrophobicContact CD1-CG2 3.97Å
193	T	89.4	Confident	92.1	Very high	27 Å²	27	47.4 Å²	47.4	17%	0.166	25%	0.25	C	C	.	.	H	α-helix	trans	-55	-39.3	-178.8	-66	0	0	0	0	111.7	V189 D190 A191 A196 Q197 L257	V189-T193 WeakPolarHBondContact O-CB 3.46Å; V189-T193 PolarHBondContact O-N 2.93Å; V189-T193 PolarHBondContact O-OG1 3.42Å; D190-T193 WeakPolarHBondContact O-CB 3.29Å; D190-T193 PolarHBondContact O-N 3.45Å; A191-T193 VanDerWaalsContact C-N 3.32Å; A191-T193 PolarHBondContact O-N 3.03Å; T193-A196 PolarHBondContact O-N 3.44Å; T193-Q197 HydrophobicContact CG2-CG 4.36Å; T193-Q197 WeakPolarHBondContact O-CB 3.27Å; T193-Q197 VanDerWaalsContact O-CG 3.26Å; T193-Q197 WeakPolarHBondContact O-CG 3.09Å; T193-Q197 PolarHBondContact O-N 3.44Å; T193-L257 HydrophobicContact CG2-CD2 3.75Å
194	T	87.4	Confident	92	Very high	91 Å²	91	45.8 Å²	45.8	56%	0.558	24%	0.242	S	C	*	.	H	α-helix	trans	-64.9	-46.8	-179.7	65.6	0	0	0	0	113.2	D190 A191 I192 S198	D190-T194 PolarHBondContact O-N 2.83Å; A191-T194 PolarHBondContact O-N 2.81Å; A191-T194 PolarHBondContact O-OG1 2.92Å; I192-T194 PolarHBondContact O-N 2.98Å; T194-S198 PolarHBondContact O-N 3.27Å; T194-S198 PolarHBondContact O-OG 3.07Å
195	T	90.6	Very high	92	Very high	54 Å²	54	42.4 Å²	42.4	33%	0.331	23%	0.23	S	C	.	.	H	α-helix	trans	-70.4	-36.2	177.1	-178.9	0	0	0	0	111.6	I192 S198 H199 F203	I192-T195 WeakPolarHBondContact O-CG2 3.35Å; I192-T195 PolarHBondContact O-N 3.46Å; T195-S198 WeakPolarHBondContact O-CB 3.48Å; T195-S198 PolarHBondContact O-N 3.4Å; T195-H199 PolarHBondContact O-CD2 3.14Å; T195-H199 PolarHBondContact O-N 3.18Å; T195-F203 HydrophobicContact CG2-CZ 4.28Å
196	A	86.4	Confident	92.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-70.3	-38.8	-176	0	0	0	0	0	112.5	I192 T193 S198 H199 Q200 R201 F203 L257	I192-A196 HydrophobicContact CG2-CB 4.44Å; I192-A196 WeakPolarHBondContact O-CB 3.4Å; I192-A196 PolarHBondContact O-N 3.12Å; T193-A196 PolarHBondContact O-N 3.44Å; A196-S198 VanDerWaalsContact C-N 3.27Å; A196-S198 PolarHBondContact O-N 2.79Å; A196-H199 PolarHBondContact O-N 2.96Å; A196-Q200 PolarHBondContact O-N 3.45Å; A196-Q200 VanDerWaalsContact O-N 3.12Å; A196-R201 PolarHBondContact O-N 3.25Å; A196-R201 VanDerWaalsContact O-N 3.16Å; A196-F203 HydrophobicContact CB-CD2 3.38Å; A196-F203 HydrophobicContact CB-CE2 3.24Å; A196-F203 HydrophobicContact CB-CG 4.5Å; A196-F203 HydrophobicContact CB-CZ 4.27Å; A196-L257 HydrophobicContact CB-CD1 3.18Å; A196-L257 HydrophobicContact CB-CD2 4.36Å; A196-L257 HydrophobicContact CB-CG 4.33Å
197	Q	84.9	Confident	92.1	Very high	86 Å²	86	44.6 Å²	44.6	40%	0.402	24%	0.24	S	C	.	.	H	α-helix	trans	-63.1	-33.2	171.4	-74.8	177.5	-4	0	0	112.7	T193 R256 L257	T193-Q197 HydrophobicContact CG2-CG 4.36Å; T193-Q197 WeakPolarHBondContact O-CB 3.27Å; T193-Q197 VanDerWaalsContact O-CG 3.26Å; T193-Q197 WeakPolarHBondContact O-CG 3.09Å; T193-Q197 PolarHBondContact O-N 3.44Å; Q197-R256 PolarHBondContact O-NE 2.88Å; Q197-R256 PolarHBondContact O-NH2 3.39Å; Q197-L257 HydrophobicContact CG-CB 4.14Å; Q197-L257 HydrophobicContact CG-CD2 4.11Å
198	S	88.8	Confident	92.2	Very high	81 Å²	81	40.2 Å²	40.2	57%	0.566	22%	0.22	S	C	*	.	H	α-helix	trans	-67.3	-43.3	179.5	-59.8	0	0	0	0	111.6	T194 T195 A196 R256	T194-S198 PolarHBondContact O-N 3.27Å; T194-S198 PolarHBondContact O-OG 3.07Å; T195-S198 WeakPolarHBondContact O-CB 3.48Å; T195-S198 PolarHBondContact O-N 3.4Å; A196-S198 VanDerWaalsContact C-N 3.27Å; A196-S198 PolarHBondContact O-N 2.79Å; S198-R256 PolarHBondContact O-NH2 3.31Å
199	H	86.9	Confident	92.1	Very high	108 Å²	108	38.3 Å²	38.3	50%	0.5	21%	0.21	S	C	.	.	H	α-helix	trans	-100	5.6	-173.9	-67.1	-69.1	0	0	0	115.9	T195 A196 R201	T195-H199 PolarHBondContact O-CD2 3.14Å; T195-H199 PolarHBondContact O-N 3.18Å; A196-H199 PolarHBondContact O-N 2.96Å; H199-R201 VanDerWaalsContact C-N 3.34Å; H199-R201 HydrophobicContact CB-CG 3.7Å; H199-R201 PolarHBondContact O-N 3.25Å
200	Q	85.5	Confident	92	Very high	98 Å²	98	43.6 Å²	43.6	46%	0.458	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	44.8	-175.4	-53.6	-176.1	32.4	0	0	114	A196 R251 R256	A196-Q200 PolarHBondContact O-N 3.45Å; A196-Q200 VanDerWaalsContact O-N 3.12Å; Q200-R251 PolarHBondContact O-NH1 2.91Å; Q200-R251 PolarHBondContact O-NH2 2.9Å; Q200-R256 CarbonylContact C-O 3.55Å; Q200-R256 WeakPolarHBondContact CA-O 3.45Å; Q200-R256 HydrophobicContact CG-CB 4.33Å
201	R	91.5	Very high	91.9	Very high	54 Å²	54	46.8 Å²	46.8	20%	0.204	24%	0.243	C	C	.	.			trans	-97.5	158.2	-170	-76.7	178.4	177.3	159.7	3.5	113.4	A196 H199 F203 L257 N258 D290	A196-R201 PolarHBondContact O-N 3.25Å; A196-R201 VanDerWaalsContact O-N 3.16Å; H199-R201 VanDerWaalsContact C-N 3.34Å; H199-R201 HydrophobicContact CB-CG 3.7Å; H199-R201 PolarHBondContact O-N 3.25Å; R201-F203 HydrophobicContact CB-CD2 4.04Å; R201-F203 HydrophobicContact CB-CE2 3.66Å; R201-L257 WeakPolarHBondContact O-CD1 3.47Å; R201-N258 PolarHBondContact O-N 3.37Å; R201-D290 HydrophobicContact CG-CB 4.18Å; R201-D290 IonicContact CZ-OD2 2.79Å; R201-D290 IonicContact NE-OD2 2.78Å; R201-D290 PolarHBondContact NE-OD2 3.35Å; R201-D290 IonicContact NH2-OD2 3.88Å; R201-D290 PolarHBondContact NH2-OD2 3.32Å
202	T	94.1	Very high	91.9	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	133.4	165.2	-56.7	0	0	0	0	108.9	R251 N258 I260 V283 D290 T291 R292	T202-R251 PolarHBondContact OG1-NH2 3.4Å; T202-R251 VanDerWaalsContact OG1-NH2 3.11Å; T202-N258 CarbonylContact C-O 3.55Å; T202-N258 WeakPolarHBondContact CA-O 3.35Å; T202-N258 HydrophobicContact CG2-CB 3.81Å; T202-I260 HydrophobicContact CG2-CD1 4.05Å; T202-V283 HydrophobicContact CG2-CG1 4.33Å; T202-D290 PolarHBondContact N-O 3.28Å; T202-T291 HydrophobicContact CG2-CG2 4.02Å; T202-T291 CarbonylContact O-C 3.45Å; T202-T291 VanDerWaalsContact O-CA 3.27Å; T202-T291 WeakPolarHBondContact O-CA 3.4Å; T202-R292 PolarHBondContact O-N 3.4Å
203	F	95.7	Very high	92.1	Very high	13 Å²	13	43 Å²	43	6%	0.057	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	132.5	175.2	-83.5	-98.9	0	0	0	110.8	I192 T195 A196 R201 L205 N258 I260 R292	I192-F203 HydrophobicContact CG2-CB 4.13Å; I192-F203 HydrophobicContact CG2-CD1 3.4Å; I192-F203 HydrophobicContact CG2-CD2 3.91Å; I192-F203 HydrophobicContact CG2-CE1 3.64Å; I192-F203 HydrophobicContact CG2-CE2 4.13Å; I192-F203 HydrophobicContact CG2-CG 3.53Å; I192-F203 HydrophobicContact CG2-CZ 3.99Å; T195-F203 HydrophobicContact CG2-CZ 4.28Å; A196-F203 HydrophobicContact CB-CD2 3.38Å; A196-F203 HydrophobicContact CB-CE2 3.24Å; A196-F203 HydrophobicContact CB-CG 4.5Å; A196-F203 HydrophobicContact CB-CZ 4.27Å; R201-F203 HydrophobicContact CB-CD2 4.04Å; R201-F203 HydrophobicContact CB-CE2 3.66Å; F203-L205 HydrophobicContact CB-CD2 4.13Å; F203-L205 HydrophobicContact CB-CG 4.48Å; F203-L205 HydrophobicContact CD1-CD2 4.33Å; F203-N258 PolarHBondContact N-O 2.98Å; F203-I260 PolarHBondContact O-N 3.44Å; F203-R292 CarbonylContact C-O 3.35Å; F203-R292 WeakPolarHBondContact CA-O 3.24Å; F203-R292 HydrophobicContact CD1-CB 3.97Å; F203-R292 HydrophobicContact CE1-CB 3.75Å; F203-R292 HydrophobicContact CE1-CG 4.38Å; F203-R292 HydrophobicContact CZ-CB 4.16Å; F203-R292 HydrophobicContact CZ-CG 4.33Å
204	V	97	Very high	92.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	113.3	170.2	-175.1	0	0	0	0	107.1	I260 V262 I279 T291 R292 V293 T294	V204-I260 CarbonylContact C-O 3.56Å; V204-I260 WeakPolarHBondContact CA-O 3.46Å; V204-I260 HydrophobicContact CG2-CB 4.41Å; V204-I260 HydrophobicContact CG2-CD1 4.22Å; V204-V262 HydrophobicContact CG1-CG2 3.6Å; V204-I279 HydrophobicContact CG1-CB 4.41Å; V204-I279 HydrophobicContact CG1-CG2 4.29Å; V204-I279 HydrophobicContact CG2-CB 4.46Å; V204-I279 HydrophobicContact CG2-CG2 3.8Å; V204-T291 HydrophobicContact CG2-CG2 3.93Å; V204-R292 PolarHBondContact N-O 3.38Å; V204-V293 HydrophobicContact CB-CG2 4.12Å; V204-V293 CarbonylContact O-C 3.45Å; V204-V293 WeakPolarHBondContact O-CA 3.34Å; V204-T294 PolarHBondContact O-N 3.21Å
205	L	97.2	Very high	92.8	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	118.2	-175.5	-53.2	-177.9	0	0	0	109.7	V189 I192 F203 I259 I260 I261 V262 T294 L296	V189-L205 HydrophobicContact CB-CD1 4.46Å; V189-L205 HydrophobicContact CG1-CD1 4.48Å; V189-L205 HydrophobicContact CG2-CD1 3.72Å; I192-L205 HydrophobicContact CD1-CD1 4.42Å; I192-L205 HydrophobicContact CD1-CD2 3.46Å; I192-L205 VanDerWaalsContact CD1-CD2 3.46Å; I192-L205 HydrophobicContact CG2-CD2 4.49Å; F203-L205 HydrophobicContact CB-CD2 4.13Å; F203-L205 HydrophobicContact CB-CG 4.48Å; F203-L205 HydrophobicContact CD1-CD2 4.33Å; L205-I259 HydrophobicContact CD1-CG2 4.07Å; L205-I260 PolarHBondContact N-O 3.03Å; L205-I261 HydrophobicContact CB-CD1 3.86Å; L205-I261 HydrophobicContact CD1-CD1 3.87Å; L205-I261 HydrophobicContact CG-CD1 4.24Å; L205-V262 PolarHBondContact O-N 3.39Å; L205-T294 WeakPolarHBondContact CA-O 3.15Å; L205-L296 HydrophobicContact CB-CD1 4.25Å
206	E	97.9	Very high	93.2	Very high	48 Å²	48	35.6 Å²	35.6	22%	0.224	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	120.9	179.5	-168.4	-179.6	118.1	0	0	110.6	V262 S276 T294 V295 L296	E206-V262 CarbonylContact C-O 3.6Å; E206-V262 WeakPolarHBondContact CA-O 3.46Å; E206-S276 WeakPolarHBondContact OE2-CB 3.36Å; E206-S276 PolarHBondContact OE2-OG 3.34Å; E206-T294 PolarHBondContact N-O 3.35Å; E206-V295 HydrophobicContact CB-CB 4.42Å; E206-V295 HydrophobicContact CB-CG1 4.37Å; E206-V295 HydrophobicContact CB-CG2 4.12Å; E206-L296 PolarHBondContact O-N 3.13Å
207	V	97.4	Very high	93.7	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.012	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	140.9	-172.1	-178.4	0	0	0	0	109	I185 L215 I261 V262 A263 E264 L296 Q300	I185-V207 HydrophobicContact CD1-CG1 3.48Å; I185-V207 VanDerWaalsContact CD1-CG1 3.48Å; I185-V207 HydrophobicContact CG1-CG1 4.17Å; I185-V207 HydrophobicContact CG2-CG2 4.33Å; V207-L215 HydrophobicContact CG1-CB 3.72Å; V207-I261 HydrophobicContact CG2-CG2 3.79Å; V207-V262 PolarHBondContact N-O 3.32Å; V207-A263 CarbonylContact O-C 3.44Å; V207-E264 PolarHBondContact O-N 3.32Å; V207-L296 HydrophobicContact CG2-CD2 4.45Å; V207-Q300 VanDerWaalsContact CG1-OE1 3.32Å
208	M	97.4	Very high	94.2	Very high	17 Å²	17	31.6 Å²	31.6	8%	0.084	15%	0.149	C	C	.	.			trans	-69.3	171.6	176.5	-72.2	176.8	84.4	0	0	111.1	I165 L215 E264 G297 Q300 R301	I165-M208 HydrophobicContact CD1-CB 4.03Å; I165-M208 HydrophobicContact CD1-SD 4.31Å; M208-L215 WeakPolarHBondContact O-CD1 3.29Å; M208-E264 WeakPolarHBondContact CA-OE1 3.37Å; M208-G297 VanDerWaalsContact SD-O 3.39Å; M208-Q300 VanDerWaalsContact CG-NE2 3.31Å; M208-Q300 HydrophobicContact SD-CB 4.21Å; M208-R301 HydrophobicContact CE-CG 4.43Å; M208-R301 HydrophobicContact SD-CG 4.49Å
209	G	93.1	Very high	94.6	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.01	12%	0.122	C	C	.	.			trans	154.4	2.4	179	0	0	0	0	0	113.6	D166 H211 C212 E264	D166-G209 WeakPolarHBondContact OD1-CA 3.49Å; D166-G209 PolarHBondContact OD1-N 3.24Å; G209-H211 PolarHBondContact O-N 2.91Å; G209-C212 WeakPolarHBondContact CA-O 3.45Å; G209-C212 WeakPolarHBondContact O-CA 3.36Å; G209-C212 WeakPolarHBondContact O-CB 3.46Å; G209-C212 PolarHBondContact O-N 2.93Å; G209-E264 PolarHBondContact N-OE1 3.4Å
210	R	91.2	Very high	95	Very high	112 Å²	112	22.7 Å²	22.7	42%	0.423	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	-103.3	-171.1	-172.4	-165.5	-78.9	166	-12.2	111.1	D119 D168 E264 G265	D119-R210 IonicContact OD1-NH1 2.87Å; D119-R210 PolarHBondContact OD1-NH1 3.34Å; D168-R210 IonicContact OD2-NH1 3.63Å; R210-E264 VanDerWaalsContact CA-OE1 3.31Å; R210-E264 WeakPolarHBondContact CA-OE1 3.15Å; R210-E264 PolarHBondContact N-OE1 3.27Å; R210-G265 VanDerWaalsContact O-CA 3.22Å; R210-G265 WeakPolarHBondContact O-CA 3.39Å; R210-G265 PolarHBondContact O-N 3.09Å
211	H	91.1	Very high	95.4	Very high	109 Å²	109	18.2 Å²	18.2	51%	0.505	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	22.1	177.3	-58.3	-58.8	0	0	0	111.3	G209 P231 M362 R374	G209-H211 PolarHBondContact O-N 2.91Å; H211-P231 WeakPolarHBondContact O-CG 3.5Å; H211-M362 HydrophobicContact CB-CE 4.23Å; H211-R374 PolarHBondContact O-NH2 2.9Å
212	C	94.1	Very high	95.5	Very high	2 Å²	2	15.7 Å²	15.7	1%	0.014	7%	0.069	C	C	.	.			trans	-120	129.4	176.3	-168.6	0	0	0	0	111.6	D168 G209 Y214 E232 R374	D168-C212 HydrophobicContact CB-CB 3.75Å; G209-C212 WeakPolarHBondContact CA-O 3.45Å; G209-C212 WeakPolarHBondContact O-CA 3.36Å; G209-C212 WeakPolarHBondContact O-CB 3.46Å; G209-C212 PolarHBondContact O-N 2.93Å; C212-Y214 VanDerWaalsContact C-N 3.31Å; C212-Y214 PolarHBondContact O-N 3.31Å; C212-Y214 PolarHBondContact SG-N 2.97Å; C212-E232 VanDerWaalsContact CA-OE1 3.25Å; C212-E232 WeakPolarHBondContact CA-OE1 3.4Å; C212-E232 PolarHBondContact SG-OE1 3.25Å; C212-R374 VanDerWaalsContact SG-CZ 3.51Å
213	G	95.4	Very high	95.4	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.076	C	C	.	.			trans	-85.2	7.1	176.7	0	0	0	0	0	114.7	L215 A216 L217 E232	G213-L215 PolarHBondContact O-N 2.8Å; G213-A216 PolarHBondContact O-N 2.84Å; G213-L217 VanDerWaalsContact O-CB 3.25Å; G213-L217 WeakPolarHBondContact O-CB 3.45Å; G213-L217 PolarHBondContact O-N 3.22Å; G213-E232 WeakPolarHBondContact CA-OE2 3.48Å; G213-E232 VanDerWaalsContact N-CD 3.34Å; G213-E232 PolarHBondContact N-OE1 3.19Å; G213-E232 PolarHBondContact N-OE2 3.25Å
214	Y	96.2	Very high	95.1	Very high	14 Å²	14	17.2 Å²	17.2	6%	0.055	8%	0.084	C	C	.	.	H	α-helix	trans	-59.4	-49.5	-171.6	-175.2	-92.9	0	0	0	112.1	N167 M174 T178 L182 C212 A216 L217 V218 F378	N167-Y214 HydrophobicContact CB-CD1 3.66Å; N167-Y214 HydrophobicContact CB-CE1 4.2Å; N167-Y214 HydrophobicContact CB-CG 3.89Å; N167-Y214 WeakPolarHBondContact ND2-CE1 3.28Å; N167-Y214 WeakPolarHBondContact ND2-CE2 3.32Å; M174-Y214 HydrophobicContact CE-CE1 4.18Å; M174-Y214 WeakPolarHBondContact CE-OH 3.31Å; M174-Y214 HydrophobicContact SD-CE1 4.29Å; T178-Y214 HydrophobicContact CG2-CD1 3.85Å; T178-Y214 HydrophobicContact CG2-CE1 3.73Å; L182-Y214 HydrophobicContact CD1-CE1 4.47Å; C212-Y214 VanDerWaalsContact C-N 3.31Å; C212-Y214 PolarHBondContact O-N 3.31Å; C212-Y214 PolarHBondContact SG-N 2.97Å; Y214-A216 PolarHBondContact O-N 2.82Å; Y214-L217 PolarHBondContact O-N 3.36Å; Y214-V218 HydrophobicContact CD1-CG2 4.16Å; Y214-V218 HydrophobicContact CD2-CG2 4.44Å; Y214-V218 HydrophobicContact CE1-CG2 3.72Å; Y214-V218 HydrophobicContact CE2-CG2 4.07Å; Y214-V218 HydrophobicContact CG-CG2 4.5Å; Y214-V218 WeakPolarHBondContact O-CG2 3.38Å; Y214-V218 PolarHBondContact O-N 2.7Å; Y214-F378 AromaticContact CD2-CD2 3.86Å; Y214-F378 HydrophobicContact CD2-CD2 3.86Å; Y214-F378 HydrophobicContact CD2-CE2 4.35Å
215	L	97.3	Very high	94.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-59.5	-46.8	177.9	-70.7	179.4	0	0	0	111.5	I165 T178 A181 L182 I185 V207 M208 G213 L217 T219	I165-L215 HydrophobicContact CD1-CD1 4.25Å; I165-L215 WeakPolarHBondContact O-CD1 3.49Å; I165-L215 WeakPolarHBondContact O-CD2 3.16Å; I165-L215 WeakPolarHBondContact O-CG 3.28Å; T178-L215 HydrophobicContact CG2-CD2 3.97Å; A181-L215 HydrophobicContact CB-CD1 4.45Å; A181-L215 HydrophobicContact CB-CD2 4.2Å; L182-L215 HydrophobicContact CD2-CD2 3.67Å; L182-L215 HydrophobicContact CG-CD2 3.69Å; I185-L215 HydrophobicContact CD1-CB 4.16Å; I185-L215 HydrophobicContact CD1-CD1 4.33Å; I185-L215 HydrophobicContact CD1-CD2 4.17Å; I185-L215 HydrophobicContact CD1-CG 4.47Å; V207-L215 HydrophobicContact CG1-CB 3.72Å; M208-L215 WeakPolarHBondContact O-CD1 3.29Å; G213-L215 PolarHBondContact O-N 2.8Å; L215-L217 PolarHBondContact O-N 2.81Å; L215-T219 WeakPolarHBondContact O-CB 3.21Å; L215-T219 PolarHBondContact O-N 2.91Å; L215-T219 PolarHBondContact O-OG1 3.19Å
216	A	97.4	Very high	94.6	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.008	9%	0.091	C	C	.	.	H	α-helix	trans	-62.4	-42.9	178.4	0	0	0	0	0	112.4	G213 Y214 T219 S220 V228 I230 I261 A263	G213-A216 PolarHBondContact O-N 2.84Å; Y214-A216 PolarHBondContact O-N 2.82Å; A216-T219 PolarHBondContact O-N 2.89Å; A216-S220 WeakPolarHBondContact O-CB 3.46Å; A216-S220 PolarHBondContact O-N 3.48Å; A216-V228 HydrophobicContact CB-CG2 3.99Å; A216-I230 HydrophobicContact CB-CG2 4.05Å; A216-I261 HydrophobicContact CB-CG2 3.84Å; A216-A263 HydrophobicContact CB-CB 3.84Å
217	L	96.6	Very high	94.5	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-67.8	-45.4	179.6	176.8	56.7	0	0	0	112.6	G213 Y214 L215 T219 S220 L221 F378 N381 W382 Y385	G213-L217 VanDerWaalsContact O-CB 3.25Å; G213-L217 WeakPolarHBondContact O-CB 3.45Å; G213-L217 PolarHBondContact O-N 3.22Å; Y214-L217 PolarHBondContact O-N 3.36Å; L215-L217 PolarHBondContact O-N 2.81Å; L217-T219 VanDerWaalsContact C-N 3.31Å; L217-S220 PolarHBondContact O-N 3.35Å; L217-S220 PolarHBondContact O-OG 3.45Å; L217-L221 PolarHBondContact O-N 2.86Å; L217-F378 HydrophobicContact CD2-CD1 4.03Å; L217-F378 HydrophobicContact CD2-CE1 3.76Å; L217-F378 HydrophobicContact CD2-CE2 4.44Å; L217-F378 HydrophobicContact CD2-CG 4.47Å; L217-F378 HydrophobicContact CD2-CZ 3.98Å; L217-N381 HydrophobicContact CD2-CB 3.76Å; L217-N381 HydrophobicContact CG-CB 4Å; L217-W382 HydrophobicContact CD1-CE3 3.9Å; L217-W382 HydrophobicContact CD2-CB 4.12Å; L217-Y385 HydrophobicContact CD1-CD1 4.37Å; L217-Y385 HydrophobicContact CD1-CG 4.05Å
218	V	96.3	Very high	94.4	Very high	2 Å²	2	17.2 Å²	17.2	1%	0.012	9%	0.086	C	C	.	.	H	α-helix	trans	-68.1	-37.1	177.1	175	0	0	0	0	110.5	L182 Y214 L221 S222 N674	L182-V218 HydrophobicContact CD1-CB 4.27Å; L182-V218 HydrophobicContact CD1-CG1 3.73Å; L182-V218 HydrophobicContact CD2-CB 3.95Å; L182-V218 HydrophobicContact CD2-CG1 3.89Å; L182-V218 HydrophobicContact CG-CG1 4.46Å; Y214-V218 HydrophobicContact CD1-CG2 4.16Å; Y214-V218 HydrophobicContact CD2-CG2 4.44Å; Y214-V218 HydrophobicContact CE1-CG2 3.72Å; Y214-V218 HydrophobicContact CE2-CG2 4.07Å; Y214-V218 HydrophobicContact CG-CG2 4.5Å; Y214-V218 WeakPolarHBondContact O-CG2 3.38Å; Y214-V218 PolarHBondContact O-N 2.7Å; V218-L221 PolarHBondContact O-N 2.97Å; V218-S222 VanDerWaalsContact O-CB 3.23Å; V218-S222 WeakPolarHBondContact O-CB 3.38Å; V218-S222 PolarHBondContact O-N 3.45Å; V218-S222 PolarHBondContact O-OG 3.48Å; V218-N674 HydrophobicContact CG1-CB 4.24Å
219	T	96.7	Very high	94.4	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-60.8	-45.9	173.6	-61.6	0	0	0	0	111.1	I185 M186 V189 L215 A216 L217 L221 S222 C223 I261	I185-T219 HydrophobicContact CG2-CG2 3.53Å; I185-T219 WeakPolarHBondContact CG2-OG1 3.1Å; M186-T219 HydrophobicContact SD-CG2 4.32Å; V189-T219 HydrophobicContact CG2-CG2 4.14Å; L215-T219 WeakPolarHBondContact O-CB 3.21Å; L215-T219 PolarHBondContact O-N 2.91Å; L215-T219 PolarHBondContact O-OG1 3.19Å; A216-T219 PolarHBondContact O-N 2.89Å; L217-T219 VanDerWaalsContact C-N 3.31Å; T219-L221 VanDerWaalsContact C-N 3.33Å; T219-L221 PolarHBondContact O-N 3.44Å; T219-S222 PolarHBondContact O-N 2.79Å; T219-S222 VanDerWaalsContact O-N 3.13Å; T219-C223 PolarHBondContact O-N 3.26Å; T219-C223 PolarHBondContact O-SG 3.44Å; T219-I261 HydrophobicContact CG2-CD1 3.93Å; T219-I261 HydrophobicContact CG2-CG1 4.2Å; T219-I261 HydrophobicContact CG2-CG2 4.42Å
220	S	95.5	Very high	94.6	Very high	2 Å²	2	16.6 Å²	16.6	1%	0.014	8%	0.082	C	C	.	.	H	α-helix	trans	-61.1	-41.2	-179.1	76.5	0	0	0	0	112.1	A216 L217 G224 A225 Y385	A216-S220 WeakPolarHBondContact O-CB 3.46Å; A216-S220 PolarHBondContact O-N 3.48Å; L217-S220 PolarHBondContact O-N 3.35Å; L217-S220 PolarHBondContact O-OG 3.45Å; S220-G224 CarbonylContact O-C 3.18Å; S220-G224 VanDerWaalsContact O-CA 3.26Å; S220-G224 WeakPolarHBondContact O-CA 3.25Å; S220-G224 PolarHBondContact O-N 2.7Å; S220-A225 PolarHBondContact O-N 2.85Å; S220-Y385 VanDerWaalsContact OG-CD2 3.26Å; S220-Y385 WeakPolarHBondContact OG-CD2 3.4Å
221	L	94.1	Very high	94.8	Very high	5 Å²	5	11.4 Å²	11.4	3%	0.026	6%	0.063	C	C	.	.	H	α-helix	trans	-64.8	-44.3	172.7	-72	172.6	0	0	0	112.3	L217 V218 T219 G224 N381 V384 L388 T677	L217-L221 PolarHBondContact O-N 2.86Å; V218-L221 PolarHBondContact O-N 2.97Å; T219-L221 VanDerWaalsContact C-N 3.33Å; T219-L221 PolarHBondContact O-N 3.44Å; L221-G224 PolarHBondContact O-N 2.77Å; L221-N381 HydrophobicContact CD1-CB 3.77Å; L221-V384 HydrophobicContact CD2-CB 4.4Å; L221-V384 HydrophobicContact CD2-CG1 3.89Å; L221-L388 HydrophobicContact CD2-CD1 4.44Å; L221-T677 HydrophobicContact CD2-CG2 4.5Å
222	S	94.2	Very high	94.9	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-74.1	-29.1	-172.7	-59.1	0	0	0	0	113.9	V218 T219 T460 P670 R673	V218-S222 VanDerWaalsContact O-CB 3.23Å; V218-S222 WeakPolarHBondContact O-CB 3.38Å; V218-S222 PolarHBondContact O-N 3.45Å; V218-S222 PolarHBondContact O-OG 3.48Å; T219-S222 PolarHBondContact O-N 2.79Å; T219-S222 VanDerWaalsContact O-N 3.13Å; S222-T460 WeakPolarHBondContact O-CG2 3.37Å; S222-P670 PolarHBondContact OG-O 3.48Å; S222-R673 WeakPolarHBondContact O-CD 3.36Å
223	C	92.1	Very high	94.8	Very high	23 Å²	23	7 Å²	7	16%	0.155	5%	0.045	C	C	.	.	H	α-helix	trans	-98.3	-17.1	173	70.3	0	0	0	0	113.2	M186 V189 T219	M186-C223 HydrophobicContact CE-CB 4.02Å; M186-C223 HydrophobicContact SD-CB 4.44Å; V189-C223 HydrophobicContact CG1-CB 3.52Å; T219-C223 PolarHBondContact O-N 3.26Å; T219-C223 PolarHBondContact O-SG 3.44Å
224	G	89.3	Confident	94.8	Very high	22 Å²	22	7.7 Å²	7.7	23%	0.227	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	43.2	-174.1	0	0	0	0	0	113	S220 L221 R420	S220-G224 CarbonylContact O-C 3.18Å; S220-G224 VanDerWaalsContact O-CA 3.26Å; S220-G224 WeakPolarHBondContact O-CA 3.25Å; S220-G224 PolarHBondContact O-N 2.7Å; L221-G224 PolarHBondContact O-N 2.77Å; G224-R420 VanDerWaalsContact CA-NH2 3.33Å
225	A	92.4	Very high	94.6	Very high	8 Å²	8	7.9 Å²	7.9	7%	0.066	5%	0.052	C	C	.	.			trans	-57.1	151	179	0	0	0	0	0	112.5	S220 I259 I261	S220-A225 PolarHBondContact O-N 2.85Å; A225-I259 HydrophobicContact CB-CB 4.39Å; A225-I259 HydrophobicContact CB-CG2 4.12Å; A225-I261 HydrophobicContact CB-CG1 3.73Å
226	D	91.8	Very high	94.3	Very high	16 Å²	16	12 Å²	12	9%	0.086	7%	0.074	C	C	.	.	S	Bend	trans	-74.1	-33.5	177.1	-67.4	-82.2	0	0	0	112.2	L247 T250 N258 I259	D226-L247 HydrophobicContact CB-CD2 3.9Å; D226-T250 VanDerWaalsContact OD1-CB 3.26Å; D226-T250 WeakPolarHBondContact OD1-CB 3.48Å; D226-T250 WeakPolarHBondContact OD1-CG2 3.48Å; D226-T250 PolarHBondContact OD1-OG1 2.89Å; D226-N258 WeakPolarHBondContact OD2-CA 3.26Å; D226-N258 PolarHBondContact OD2-ND2 3.19Å; D226-I259 PolarHBondContact N-O 3.4Å; D226-I259 PolarHBondContact OD2-N 2.88Å
227	W	94.6	Very high	93.8	Very high	22 Å²	22	17.9 Å²	17.9	8%	0.083	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	151.4	-179.8	-154.9	-85.8	0	0	0	112	F229 H242 L243 R246 I260 I261 Y385 H390	W227-F229 AromaticContact CD1-CD2 3.67Å; W227-F229 AromaticContact CD1-CE2 3.28Å; W227-F229 AromaticContact CD1-CZ 3.55Å; W227-F229 HydrophobicContact CG-CE2 4.25Å; W227-F229 AromaticContact NE1-CE1 3.8Å; W227-F229 AromaticContact NE1-CE2 3.79Å; W227-F229 AromaticContact NE1-CZ 3.55Å; W227-H242 HydrophobicContact CH2-CB 3.91Å; W227-H242 HydrophobicContact CZ3-CB 4.48Å; W227-L243 HydrophobicContact CB-CD1 3.68Å; W227-L243 HydrophobicContact CD2-CD1 3.96Å; W227-L243 HydrophobicContact CE3-CD1 4.26Å; W227-L243 HydrophobicContact CG-CD1 3.71Å; W227-R246 HydrophobicContact CE3-CB 4.3Å; W227-R246 HydrophobicContact CE3-CG 4.3Å; W227-R246 HydrophobicContact CZ3-CB 4.29Å; W227-I260 HydrophobicContact CB-CG1 4.44Å; W227-I260 HydrophobicContact CB-CG2 4.35Å; W227-I260 WeakPolarHBondContact O-CA 3.43Å; W227-I261 PolarHBondContact O-N 3.26Å; W227-Y385 VanDerWaalsContact C-OH 3.32Å; W227-Y385 VanDerWaalsContact CA-OH 3.23Å; W227-Y385 WeakPolarHBondContact CA-OH 3.38Å; W227-H390 AromaticContact CH2-CD2 3.92Å; W227-H390 AromaticContact CH2-NE2 3.51Å; W227-H390 AromaticContact CZ2-NE2 3.87Å; W227-H390 AromaticContact CZ3-NE2 3.69Å
228	V	96.3	Very high	93.5	Very high	6 Å²	6	21.2 Å²	21.2	4%	0.036	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	138.1	173.9	76.8	0	0	0	0	109.7	A216 I230 I261 W382 Y385	A216-V228 HydrophobicContact CB-CG2 3.99Å; V228-I230 HydrophobicContact CG2-CG2 3.93Å; V228-I261 CarbonylContact C-O 3.54Å; V228-I261 VanDerWaalsContact CA-O 3.23Å; V228-I261 WeakPolarHBondContact CA-O 3.36Å; V228-I261 HydrophobicContact CG2-CB 4.06Å; V228-I261 HydrophobicContact CG2-CG2 4.22Å; V228-W382 HydrophobicContact CG1-CZ3 3.93Å; V228-Y385 HydrophobicContact CB-CE1 4.35Å; V228-Y385 HydrophobicContact CB-CE2 4.2Å; V228-Y385 HydrophobicContact CG1-CD1 3.87Å; V228-Y385 HydrophobicContact CG1-CD2 4.39Å; V228-Y385 HydrophobicContact CG1-CE1 3.26Å; V228-Y385 HydrophobicContact CG1-CE2 3.86Å; V228-Y385 HydrophobicContact CG1-CG 4.4Å; V228-Y385 PolarHBondContact N-OH 3.35Å
229	F	96.9	Very high	93.3	Very high	3 Å²	3	22.3 Å²	22.3	1%	0.013	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	121	170.2	-66	-93.5	0	0	0	109.3	W227 P235 W239 L243 I260 I261 V262 A263 A266 I274 I279	W227-F229 AromaticContact CD1-CD2 3.67Å; W227-F229 AromaticContact CD1-CE2 3.28Å; W227-F229 AromaticContact CD1-CZ 3.55Å; W227-F229 HydrophobicContact CG-CE2 4.25Å; W227-F229 AromaticContact NE1-CE1 3.8Å; W227-F229 AromaticContact NE1-CE2 3.79Å; W227-F229 AromaticContact NE1-CZ 3.55Å; F229-P235 HydrophobicContact CD1-CG 4.11Å; F229-P235 HydrophobicContact CE1-CG 4.02Å; F229-W239 HydrophobicContact CE1-CD2 4.09Å; F229-W239 AromaticContact CE1-CE3 3.62Å; F229-W239 HydrophobicContact CE1-CE3 3.62Å; F229-W239 HydrophobicContact CE1-CH2 4.48Å; F229-W239 AromaticContact CE1-CZ3 3.85Å; F229-W239 HydrophobicContact CE1-CZ3 3.85Å; F229-W239 HydrophobicContact CZ-CD2 4.47Å; F229-W239 AromaticContact CZ-CE3 3.56Å; F229-W239 HydrophobicContact CZ-CE3 3.56Å; F229-W239 HydrophobicContact CZ-CH2 4.39Å; F229-W239 AromaticContact CZ-CZ3 3.51Å; F229-W239 HydrophobicContact CZ-CZ3 3.51Å; F229-L243 HydrophobicContact CZ-CD2 4.28Å; F229-I260 HydrophobicContact CD2-CG2 4.01Å; F229-I260 HydrophobicContact CE2-CG2 3.75Å; F229-I261 PolarHBondContact N-O 3.05Å; F229-V262 HydrophobicContact CB-CG1 4.27Å; F229-V262 HydrophobicContact CD2-CG2 4.01Å; F229-A263 WeakPolarHBondContact O-CB 3.01Å; F229-A263 PolarHBondContact O-N 2.89Å; F229-A266 HydrophobicContact CB-CB 3.84Å; F229-I274 HydrophobicContact CD1-CD1 3.95Å; F229-I274 HydrophobicContact CD1-CG2 4.17Å; F229-I274 HydrophobicContact CE1-CD1 4.19Å; F229-I274 HydrophobicContact CE1-CG2 4.26Å; F229-I279 HydrophobicContact CD2-CD1 3.64Å; F229-I279 HydrophobicContact CE2-CD1 3.48Å; F229-I279 VanDerWaalsContact CE2-CD1 3.48Å; F229-I279 HydrophobicContact CE2-CG1 4.1Å; F229-I279 HydrophobicContact CG-CD1 4.27Å; F229-I279 HydrophobicContact CZ-CD1 3.99Å; F229-I279 HydrophobicContact CZ-CG1 4.23Å
230	I	96.5	Very high	93.2	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	14%	0.143	C	C	.	.			trans	-131.6	144.8	179.3	59.9	171.1	0	0	0	110.9	A216 V228 E232 C233 F378 W382	A216-I230 HydrophobicContact CB-CG2 4.05Å; V228-I230 HydrophobicContact CG2-CG2 3.93Å; I230-E232 VanDerWaalsContact C-N 3.29Å; I230-E232 PolarHBondContact O-N 3.49Å; I230-C233 HydrophobicContact CD1-CB 4.07Å; I230-C233 HydrophobicContact CG1-CB 4.03Å; I230-C233 CarbonylContact O-C 3.46Å; I230-C233 PolarHBondContact O-N 3.41Å; I230-F378 HydrophobicContact CD1-CE1 4.07Å; I230-F378 HydrophobicContact CD1-CZ 4.09Å; I230-W382 HydrophobicContact CD1-CD2 4.26Å; I230-W382 HydrophobicContact CD1-CE3 3.61Å; I230-W382 HydrophobicContact CD1-CH2 4.18Å; I230-W382 HydrophobicContact CD1-CZ3 3.56Å; I230-W382 HydrophobicContact CG1-CH2 4.34Å; I230-W382 HydrophobicContact CG1-CZ3 4.02Å
231	P	95.3	Very high	93	Very high	3 Å²	3	31.5 Å²	31.5	2%	0.019	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-30.6	179.4	19.8	-28	0	0	0	113.7	H211 C233 P234 G265 I267 M362	H211-P231 WeakPolarHBondContact O-CG 3.5Å; P231-C233 PolarHBondContact O-N 3.3Å; P231-P234 WeakPolarHBondContact O-CD 3.5Å; P231-G265 WeakPolarHBondContact CB-O 3.34Å; P231-I267 HydrophobicContact CB-CG1 4.5Å; P231-M362 HydrophobicContact CB-SD 4.2Å
232	E	94	Very high	92.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-18.6	-178.2	-64.4	89.8	164.5	0	0	113.5	C212 G213 I230 M362 L371 R374 F378	C212-E232 VanDerWaalsContact CA-OE1 3.25Å; C212-E232 WeakPolarHBondContact CA-OE1 3.4Å; C212-E232 PolarHBondContact SG-OE1 3.25Å; G213-E232 WeakPolarHBondContact CA-OE2 3.48Å; G213-E232 VanDerWaalsContact N-CD 3.34Å; G213-E232 PolarHBondContact N-OE1 3.19Å; G213-E232 PolarHBondContact N-OE2 3.25Å; I230-E232 VanDerWaalsContact C-N 3.29Å; I230-E232 PolarHBondContact O-N 3.49Å; E232-M362 HydrophobicContact CG-SD 4.29Å; E232-L371 HydrophobicContact CB-CD1 4.32Å; E232-R374 HydrophobicContact CG-CG 4.1Å; E232-R374 IonicContact OE1-CZ 3.71Å; E232-R374 IonicContact OE1-NE 3.01Å; E232-R374 PolarHBondContact OE1-NE 2.96Å; E232-R374 IonicContact OE1-NH2 2.68Å; E232-R374 PolarHBondContact OE1-NH2 3.12Å; E232-F378 HydrophobicContact CB-CE1 4.17Å; E232-F378 HydrophobicContact CB-CZ 4.18Å; E232-F378 HydrophobicContact CG-CE1 4.33Å; E232-F378 HydrophobicContact CG-CZ 3.99Å
233	C	93	Very high	92.8	Very high	20 Å²	20	33.8 Å²	33.8	14%	0.135	18%	0.18	C	C	.	.	S	Bend	trans	-141.5	75	177.6	-73	0	0	0	0	110.2	I230 P231 W382	I230-C233 HydrophobicContact CD1-CB 4.07Å; I230-C233 HydrophobicContact CG1-CB 4.03Å; I230-C233 CarbonylContact O-C 3.46Å; I230-C233 PolarHBondContact O-N 3.41Å; P231-C233 PolarHBondContact O-N 3.3Å; C233-W382 HydrophobicContact CB-CH2 3.67Å; C233-W382 HydrophobicContact CB-CZ2 3.22Å; C233-W382 HydrophobicContact CB-CZ3 4.44Å; C233-W382 PolarHBondContact SG-NE1 3.28Å
234	P	93.6	Very high	92.9	Very high	14 Å²	14	33.2 Å²	33.2	9%	0.091	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-57.2	144.1	175	-26.4	39.3	0	0	0	110.8	P231 I267 K269 F367	P231-P234 WeakPolarHBondContact O-CD 3.5Å; P234-I267 WeakPolarHBondContact CB-O 3.37Å; P234-I267 HydrophobicContact CG-CD1 4.34Å; P234-I267 HydrophobicContact CG-CG1 3.98Å; P234-K269 HydrophobicContact CB-CG 4.16Å; P234-F367 HydrophobicContact CG-CD1 3.75Å; P234-F367 HydrophobicContact CG-CD2 4.2Å; P234-F367 HydrophobicContact CG-CE1 3.49Å; P234-F367 VanDerWaalsContact CG-CE1 3.49Å; P234-F367 HydrophobicContact CG-CE2 3.95Å; P234-F367 HydrophobicContact CG-CG 4.12Å; P234-F367 HydrophobicContact CG-CZ 3.6Å
235	P	92.6	Very high	93	Very high	18 Å²	18	36.6 Å²	36.6	12%	0.117	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-74.5	163	-175.6	38.2	-41.5	0	0	0	111.2	F229 W239 K269 I274	F229-P235 HydrophobicContact CD1-CG 4.11Å; F229-P235 HydrophobicContact CE1-CG 4.02Å; P235-W239 HydrophobicContact CB-CB 3.54Å; P235-W239 HydrophobicContact CB-CG 4.06Å; P235-W239 HydrophobicContact CG-CB 3.88Å; P235-W239 HydrophobicContact CG-CD2 4.39Å; P235-W239 HydrophobicContact CG-CG 3.8Å; P235-K269 WeakPolarHBondContact O-CG 3.45Å; P235-I274 HydrophobicContact CG-CD1 3.69Å
236	D	90.3	Very high	92.8	Very high	86 Å²	86	36.9 Å²	36.9	46%	0.46	18%	0.181	S	C	.	.	P	Polyproline II helix	trans	-64.1	162.5	176.5	-63.5	-48.5	0	0	0	112.3	D238 W239 K269	D236-D238 WeakPolarHBondContact CB-OD1 3.47Å; D236-D238 PolarHBondContact O-N 2.87Å; D236-D238 VanDerWaalsContact O-N 3.11Å; D236-W239 WeakPolarHBondContact O-CB 3.31Å; D236-W239 VanDerWaalsContact O-CD1 3.25Å; D236-W239 PolarHBondContact O-N 3.25Å; D236-K269 VanDerWaalsContact OD1-CE 3.32Å; D236-K269 WeakPolarHBondContact OD1-CE 3.47Å; D236-K269 IonicContact OD1-NZ 3Å; D236-K269 PolarHBondContact OD1-NZ 3.35Å
237	D	88.5	Confident	92.8	Very high	124 Å²	124	36.1 Å²	36.1	66%	0.663	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-26.5	-174.8	-63.4	-31.8	0	0	0	112.8	W239	D237-W239 VanDerWaalsContact C-N 3.34Å
238	D	90.1	Very high	92.7	Very high	70 Å²	70	36.6 Å²	36.6	37%	0.374	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	16.7	177.7	66.6	-8.6	0	0	0	113.7	D236 E240 E241 H242	D236-D238 WeakPolarHBondContact CB-OD1 3.47Å; D236-D238 PolarHBondContact O-N 2.87Å; D236-D238 VanDerWaalsContact O-N 3.11Å; D238-E240 PolarHBondContact O-N 3.39Å; D238-E241 WeakPolarHBondContact O-CB 3.43Å; D238-E241 PolarHBondContact O-N 3.15Å; D238-H242 PolarHBondContact O-N 3.32Å; D238-H242 IonicContact OD1-CE1 3.89Å; D238-H242 PolarHBondContact OD1-CE1 2.98Å; D238-H242 IonicContact OD1-ND1 3.43Å; D238-H242 PolarHBondContact OD1-ND1 3.43Å; D238-H242 VanDerWaalsContact OD1-ND1 3.08Å; D238-H242 IonicContact OD2-CE1 2.86Å; D238-H242 PolarHBondContact OD2-CE1 3.37Å; D238-H242 IonicContact OD2-ND1 2.68Å; D238-H242 IonicContact OD2-NE2 2.63Å
239	W	92.5	Very high	92.2	Very high	26 Å²	26	37.9 Å²	37.9	10%	0.098	19%	0.19	C	C	.	.	H	α-helix	trans	-54	-30.8	-176.3	71.6	-91.5	0	0	0	113.9	F229 P235 D236 D237 E241 H242 L243 I274 I279 L282	F229-W239 HydrophobicContact CE1-CD2 4.09Å; F229-W239 AromaticContact CE1-CE3 3.62Å; F229-W239 HydrophobicContact CE1-CE3 3.62Å; F229-W239 HydrophobicContact CE1-CH2 4.48Å; F229-W239 AromaticContact CE1-CZ3 3.85Å; F229-W239 HydrophobicContact CE1-CZ3 3.85Å; F229-W239 HydrophobicContact CZ-CD2 4.47Å; F229-W239 AromaticContact CZ-CE3 3.56Å; F229-W239 HydrophobicContact CZ-CE3 3.56Å; F229-W239 HydrophobicContact CZ-CH2 4.39Å; F229-W239 AromaticContact CZ-CZ3 3.51Å; F229-W239 HydrophobicContact CZ-CZ3 3.51Å; P235-W239 HydrophobicContact CB-CB 3.54Å; P235-W239 HydrophobicContact CB-CG 4.06Å; P235-W239 HydrophobicContact CG-CB 3.88Å; P235-W239 HydrophobicContact CG-CD2 4.39Å; P235-W239 HydrophobicContact CG-CG 3.8Å; D236-W239 WeakPolarHBondContact O-CB 3.31Å; D236-W239 VanDerWaalsContact O-CD1 3.25Å; D236-W239 PolarHBondContact O-N 3.25Å; D237-W239 VanDerWaalsContact C-N 3.34Å; W239-E241 VanDerWaalsContact C-N 3.3Å; W239-E241 PolarHBondContact O-N 2.85Å; W239-H242 PolarHBondContact O-N 2.86Å; W239-L243 HydrophobicContact CE3-CB 4.36Å; W239-L243 HydrophobicContact CE3-CD2 4.27Å; W239-L243 HydrophobicContact CZ3-CD2 3.79Å; W239-L243 VanDerWaalsContact O-CB 3.26Å; W239-L243 WeakPolarHBondContact O-CB 3.47Å; W239-L243 PolarHBondContact O-N 2.9Å; W239-I274 HydrophobicContact CH2-CG2 4.36Å; W239-I274 HydrophobicContact CZ2-CG2 4.39Å; W239-I279 HydrophobicContact CH2-CG1 4.1Å; W239-I279 HydrophobicContact CZ3-CG1 4.27Å; W239-L282 HydrophobicContact CE3-CD2 4.36Å; W239-L282 HydrophobicContact CH2-CD2 3.69Å; W239-L282 HydrophobicContact CZ3-CD2 3.54Å
240	E	93.1	Very high	91.7	Very high	72 Å²	72	38.3 Å²	38.3	34%	0.336	19%	0.193	S	C	.	.	H	α-helix	trans	-60	-42.2	178.1	-63.7	-168.4	-175.8	0	0	111.7	D238 C244 L282 R286	D238-E240 PolarHBondContact O-N 3.39Å; E240-C244 WeakPolarHBondContact O-CB 3.36Å; E240-C244 PolarHBondContact O-N 3.15Å; E240-C244 VanDerWaalsContact O-N 3.09Å; E240-C244 PolarHBondContact O-SG 3.04Å; E240-L282 HydrophobicContact CB-CD1 3.93Å; E240-L282 HydrophobicContact CB-CD2 3.78Å; E240-L282 HydrophobicContact CB-CG 4.5Å; E240-L282 HydrophobicContact CG-CD1 4.05Å; E240-L282 HydrophobicContact CG-CD2 3.76Å; E240-L282 WeakPolarHBondContact OE2-CD1 3.15Å; E240-R286 IonicContact OE2-CZ 3.97Å; E240-R286 IonicContact OE2-NE 3.28Å; E240-R286 IonicContact OE2-NH2 2.72Å; E240-R286 PolarHBondContact OE2-NH2 3.17Å
241	E	92.6	Very high	91.2	Very high	122 Å²	122	40.7 Å²	40.7	57%	0.57	20%	0.202	S	C	*	.	H	α-helix	trans	-70.9	-45.2	177.5	-177.7	172.4	174.5	0	0	110.6	D238 W239 L243 C244 R245	D238-E241 WeakPolarHBondContact O-CB 3.43Å; D238-E241 PolarHBondContact O-N 3.15Å; W239-E241 VanDerWaalsContact C-N 3.3Å; W239-E241 PolarHBondContact O-N 2.85Å; E241-L243 PolarHBondContact O-N 3.25Å; E241-C244 PolarHBondContact O-N 2.9Å; E241-R245 VanDerWaalsContact O-CB 3.23Å; E241-R245 WeakPolarHBondContact O-CB 3.26Å; E241-R245 PolarHBondContact O-N 2.85Å
242	H	91.1	Very high	90.8	Very high	54 Å²	54	46.5 Å²	46.5	25%	0.25	24%	0.237	C	C	.	.	H	α-helix	trans	-59.9	-44.1	177.6	-72.2	155.6	0	0	0	113	W227 D238 W239 R246	W227-H242 HydrophobicContact CH2-CB 3.91Å; W227-H242 HydrophobicContact CZ3-CB 4.48Å; D238-H242 PolarHBondContact O-N 3.32Å; D238-H242 IonicContact OD1-CE1 3.89Å; D238-H242 PolarHBondContact OD1-CE1 2.98Å; D238-H242 IonicContact OD1-ND1 3.43Å; D238-H242 PolarHBondContact OD1-ND1 3.43Å; D238-H242 VanDerWaalsContact OD1-ND1 3.08Å; D238-H242 IonicContact OD2-CE1 2.86Å; D238-H242 PolarHBondContact OD2-CE1 3.37Å; D238-H242 IonicContact OD2-ND1 2.68Å; D238-H242 IonicContact OD2-NE2 2.63Å; W239-H242 PolarHBondContact O-N 2.86Å; H242-R246 VanDerWaalsContact O-CB 3.3Å; H242-R246 WeakPolarHBondContact O-CB 3.48Å; H242-R246 PolarHBondContact O-N 2.81Å
243	L	93	Very high	90.2	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61	-53.7	174.3	176.9	65.6	0	0	0	110.3	W227 F229 W239 E241 R245 R246 L247 I260 I279 L282 V283	W227-L243 HydrophobicContact CB-CD1 3.68Å; W227-L243 HydrophobicContact CD2-CD1 3.96Å; W227-L243 HydrophobicContact CE3-CD1 4.26Å; W227-L243 HydrophobicContact CG-CD1 3.71Å; F229-L243 HydrophobicContact CZ-CD2 4.28Å; W239-L243 HydrophobicContact CE3-CB 4.36Å; W239-L243 HydrophobicContact CE3-CD2 4.27Å; W239-L243 HydrophobicContact CZ3-CD2 3.79Å; W239-L243 VanDerWaalsContact O-CB 3.26Å; W239-L243 WeakPolarHBondContact O-CB 3.47Å; W239-L243 PolarHBondContact O-N 2.9Å; E241-L243 PolarHBondContact O-N 3.25Å; L243-R245 VanDerWaalsContact C-N 3.31Å; L243-R245 PolarHBondContact O-N 3.32Å; L243-R246 PolarHBondContact O-N 3.38Å; L243-L247 HydrophobicContact CD1-CD1 4Å; L243-L247 HydrophobicContact CD1-CD2 4.2Å; L243-L247 HydrophobicContact CD1-CG 3.97Å; L243-L247 HydrophobicContact CG-CD1 4Å; L243-L247 HydrophobicContact CG-CG 4.31Å; L243-L247 WeakPolarHBondContact O-CG 3.21Å; L243-L247 PolarHBondContact O-N 3.41Å; L243-I260 HydrophobicContact CD1-CD1 4.05Å; L243-I260 HydrophobicContact CD1-CG1 4.34Å; L243-I260 HydrophobicContact CD2-CD1 4.35Å; L243-I279 HydrophobicContact CD2-CG2 4.09Å; L243-L282 HydrophobicContact CD2-CD2 4.14Å; L243-V283 HydrophobicContact CD2-CG2 4.3Å
244	C	93.4	Very high	89.7	Confident	10 Å²	10	52.2 Å²	52.2	7%	0.068	28%	0.275	C	S	.	.	H	α-helix	trans	-59.8	-43.4	-176.1	-72.6	0	0	0	0	112.3	E240 E241 R246 S248 L287	E240-C244 WeakPolarHBondContact O-CB 3.36Å; E240-C244 PolarHBondContact O-N 3.15Å; E240-C244 VanDerWaalsContact O-N 3.09Å; E240-C244 PolarHBondContact O-SG 3.04Å; E241-C244 PolarHBondContact O-N 2.9Å; C244-R246 VanDerWaalsContact C-N 3.33Å; C244-R246 PolarHBondContact O-N 2.96Å; C244-S248 WeakPolarHBondContact O-CB 3.3Å; C244-S248 PolarHBondContact O-N 3.14Å; C244-S248 VanDerWaalsContact O-N 3.11Å; C244-S248 PolarHBondContact O-OG 2.74Å; C244-L287 HydrophobicContact CB-CD1 4.29Å; C244-L287 HydrophobicContact CB-CD2 3.98Å; C244-L287 HydrophobicContact CB-CG 4.18Å
245	R	91.6	Very high	89.2	Confident	94 Å²	94	53.8 Å²	53.8	36%	0.355	29%	0.286	S	S	.	.	H	α-helix	trans	-59.3	-45.7	174.3	-177.5	179.1	61.2	58.2	-4.1	111	E241 L243 S248 E249 R392	E241-R245 VanDerWaalsContact O-CB 3.23Å; E241-R245 WeakPolarHBondContact O-CB 3.26Å; E241-R245 PolarHBondContact O-N 2.85Å; L243-R245 VanDerWaalsContact C-N 3.31Å; L243-R245 PolarHBondContact O-N 3.32Å; R245-S248 PolarHBondContact O-N 3.27Å; R245-E249 VanDerWaalsContact CG-OE1 3.32Å; R245-E249 WeakPolarHBondContact CG-OE1 3.14Å; R245-E249 IonicContact CZ-OE1 2.73Å; R245-E249 IonicContact NH1-OE1 2.95Å; R245-E249 PolarHBondContact NH1-OE1 2.88Å; R245-E249 IonicContact NH1-OE2 3.11Å; R245-E249 WeakPolarHBondContact O-CG 3.31Å; R245-E249 PolarHBondContact O-N 2.75Å; R245-R392 VanDerWaalsContact CD-NH2 3.35Å; R245-R392 VanDerWaalsContact CZ-NH2 3.3Å
246	R	88.9	Confident	88.9	Confident	13 Å²	13	58.5 Å²	58.5	5%	0.049	30%	0.301	C	S	.	.	H	α-helix	trans	-64.7	-48.5	-178.1	-178.4	51.9	177.2	-180	-6.6	112.5	W227 H242 L243 C244 S248 E249 T250 A389	W227-R246 HydrophobicContact CE3-CB 4.3Å; W227-R246 HydrophobicContact CE3-CG 4.3Å; W227-R246 HydrophobicContact CZ3-CB 4.29Å; H242-R246 VanDerWaalsContact O-CB 3.3Å; H242-R246 WeakPolarHBondContact O-CB 3.48Å; H242-R246 PolarHBondContact O-N 2.81Å; L243-R246 PolarHBondContact O-N 3.38Å; C244-R246 VanDerWaalsContact C-N 3.33Å; C244-R246 PolarHBondContact O-N 2.96Å; R246-S248 VanDerWaalsContact C-N 3.27Å; R246-S248 PolarHBondContact O-N 3.24Å; R246-E249 IonicContact NH1-OE2 3.31Å; R246-E249 PolarHBondContact O-N 3.47Å; R246-T250 PolarHBondContact O-N 3.16Å; R246-T250 PolarHBondContact O-OG1 3.4Å; R246-A389 PolarHBondContact NE-O 2.69Å; R246-A389 PolarHBondContact NH2-O 2.85Å
247	L	92	Very high	88.9	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59	-42.7	178.7	-61.4	178.6	0	0	0	111.2	D226 L243 T250 R251 N258 I260 V283 L287 Y289	D226-L247 HydrophobicContact CB-CD2 3.9Å; L243-L247 HydrophobicContact CD1-CD1 4Å; L243-L247 HydrophobicContact CD1-CD2 4.2Å; L243-L247 HydrophobicContact CD1-CG 3.97Å; L243-L247 HydrophobicContact CG-CD1 4Å; L243-L247 HydrophobicContact CG-CG 4.31Å; L243-L247 WeakPolarHBondContact O-CG 3.21Å; L243-L247 PolarHBondContact O-N 3.41Å; L247-T250 PolarHBondContact O-N 3.29Å; L247-R251 PolarHBondContact O-N 3.09Å; L247-R251 VanDerWaalsContact O-N 3.09Å; L247-N258 HydrophobicContact CD2-CB 3.94Å; L247-I260 HydrophobicContact CD1-CD1 3.91Å; L247-I260 HydrophobicContact CD2-CD1 4.19Å; L247-I260 HydrophobicContact CD2-CG1 4.17Å; L247-V283 HydrophobicContact CD1-CG1 4.15Å; L247-V283 HydrophobicContact CD1-CG2 3.64Å; L247-L287 HydrophobicContact CB-CD1 3.84Å; L247-L287 HydrophobicContact CD1-CD1 4.09Å; L247-Y289 HydrophobicContact CB-CE2 4.33Å
248	S	91.7	Very high	89.1	Confident	32 Å²	32	49.3 Å²	49.3	22%	0.224	25%	0.252	C	S	.	.	H	α-helix	trans	-61	-47.2	176.7	-57.2	0	0	0	0	111.8	C244 R245 R246 T250 R251 T252 L287	C244-S248 WeakPolarHBondContact O-CB 3.3Å; C244-S248 PolarHBondContact O-N 3.14Å; C244-S248 VanDerWaalsContact O-N 3.11Å; C244-S248 PolarHBondContact O-OG 2.74Å; R245-S248 PolarHBondContact O-N 3.27Å; R246-S248 VanDerWaalsContact C-N 3.27Å; R246-S248 PolarHBondContact O-N 3.24Å; S248-T250 PolarHBondContact O-N 3.34Å; S248-R251 PolarHBondContact O-N 3.42Å; S248-T252 PolarHBondContact O-N 2.74Å; S248-T252 PolarHBondContact O-OG1 3.44Å; S248-L287 VanDerWaalsContact OG-CD2 3.24Å; S248-L287 WeakPolarHBondContact OG-CD2 3.32Å
249	E	86.6	Confident	89.2	Confident	33 Å²	33	46.4 Å²	46.4	15%	0.154	24%	0.236	C	C	.	.	H	α-helix	trans	-59.2	-44.1	176.2	-76.5	170.4	-151.8	0	0	112.7	R245 R246 R251 T252 R253 R392	R245-E249 VanDerWaalsContact CG-OE1 3.32Å; R245-E249 WeakPolarHBondContact CG-OE1 3.14Å; R245-E249 IonicContact CZ-OE1 2.73Å; R245-E249 IonicContact NH1-OE1 2.95Å; R245-E249 PolarHBondContact NH1-OE1 2.88Å; R245-E249 IonicContact NH1-OE2 3.11Å; R245-E249 WeakPolarHBondContact O-CG 3.31Å; R245-E249 PolarHBondContact O-N 2.75Å; R246-E249 IonicContact NH1-OE2 3.31Å; R246-E249 PolarHBondContact O-N 3.47Å; E249-R251 VanDerWaalsContact C-N 3.3Å; E249-R251 PolarHBondContact O-N 3.21Å; E249-T252 PolarHBondContact O-N 3.43Å; E249-R253 VanDerWaalsContact O-CG 3.26Å; E249-R253 WeakPolarHBondContact O-CG 3.34Å; E249-R253 PolarHBondContact O-N 3.24Å; E249-R392 IonicContact OE1-CZ 3.55Å; E249-R392 VanDerWaalsContact OE1-CZ 3.29Å; E249-R392 IonicContact OE1-NE 2.69Å; E249-R392 PolarHBondContact OE1-NE 2.87Å; E249-R392 IonicContact OE1-NH2 3.27Å; E249-R392 PolarHBondContact OE1-NH2 3.45Å; E249-R392 IonicContact OE2-NE 3.91Å; E249-R392 PolarHBondContact OE2-NE 2.6Å
250	T	85.7	Confident	89.4	Confident	13 Å²	13	45.2 Å²	45.2	8%	0.08	23%	0.232	C	C	.	.	H	α-helix	trans	-62.6	-40.2	179.6	-60	0	0	0	0	110.9	D226 R246 L247 S248 R253 S255	D226-T250 VanDerWaalsContact OD1-CB 3.26Å; D226-T250 WeakPolarHBondContact OD1-CB 3.48Å; D226-T250 WeakPolarHBondContact OD1-CG2 3.48Å; D226-T250 PolarHBondContact OD1-OG1 2.89Å; R246-T250 PolarHBondContact O-N 3.16Å; R246-T250 PolarHBondContact O-OG1 3.4Å; L247-T250 PolarHBondContact O-N 3.29Å; S248-T250 PolarHBondContact O-N 3.34Å; T250-R253 PolarHBondContact O-N 2.91Å; T250-S255 WeakPolarHBondContact O-CB 3.13Å; T250-S255 PolarHBondContact O-N 2.86Å; T250-S255 VanDerWaalsContact O-N 3.11Å
251	R	86.5	Confident	89.6	Confident	50 Å²	50	41.8 Å²	41.8	19%	0.189	22%	0.216	C	C	.	.	H	α-helix	trans	-66.1	-45.4	174.8	-70.5	-151.8	-175.9	-165.5	-8.6	112.8	Q200 T202 L247 S248 E249 R253 G254 S255 N258 Y289	Q200-R251 PolarHBondContact O-NH1 2.91Å; Q200-R251 PolarHBondContact O-NH2 2.9Å; T202-R251 PolarHBondContact OG1-NH2 3.4Å; T202-R251 VanDerWaalsContact OG1-NH2 3.11Å; L247-R251 PolarHBondContact O-N 3.09Å; L247-R251 VanDerWaalsContact O-N 3.09Å; S248-R251 PolarHBondContact O-N 3.42Å; E249-R251 VanDerWaalsContact C-N 3.3Å; E249-R251 PolarHBondContact O-N 3.21Å; R251-R253 PolarHBondContact O-N 3.44Å; R251-G254 WeakPolarHBondContact O-CA 3.43Å; R251-G254 PolarHBondContact O-N 3.23Å; R251-S255 WeakPolarHBondContact CA-O 3.18Å; R251-N258 VanDerWaalsContact CG-OD1 3.26Å; R251-N258 WeakPolarHBondContact CG-OD1 3.33Å; R251-N258 PolarHBondContact NE-OD1 3.13Å; R251-Y289 VanDerWaalsContact CD-CE2 3.47Å; R251-Y289 VanDerWaalsContact CD-CZ 3.47Å; R251-Y289 HydrophobicContact CG-CE2 4.03Å; R251-Y289 VanDerWaalsContact CZ-CG 3.43Å; R251-Y289 VanDerWaalsContact NE-CD2 3.34Å
252	T	86.1	Confident	89.9	Confident	126 Å²	126	36 Å²	36	77%	0.773	19%	0.189	S	C	*	.	H	α-helix	trans	-61.2	-28.9	177.8	-55.5	0	0	0	0	112.2	S248 E249 G254	S248-T252 PolarHBondContact O-N 2.74Å; S248-T252 PolarHBondContact O-OG1 3.44Å; E249-T252 PolarHBondContact O-N 3.43Å; T252-G254 PolarHBondContact O-N 3.16Å
253	R	81.9	Confident	90.2	Very high	81 Å²	81	33.5 Å²	33.5	31%	0.306	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	4.5	173.4	-69.8	173	-175.3	-166	2.1	114.2	E249 T250 R251	E249-R253 VanDerWaalsContact O-CG 3.26Å; E249-R253 WeakPolarHBondContact O-CG 3.34Å; E249-R253 PolarHBondContact O-N 3.24Å; T250-R253 PolarHBondContact O-N 2.91Å; R251-R253 PolarHBondContact O-N 3.44Å
254	G	81.6	Confident	90.3	Very high	59 Å²	59	37.6 Å²	37.6	61%	0.608	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	94.7	4.3	176.9	0	0	0	0	0	114.8	R251 T252 R256	R251-G254 WeakPolarHBondContact O-CA 3.43Å; R251-G254 PolarHBondContact O-N 3.23Å; T252-G254 PolarHBondContact O-N 3.16Å; G254-R256 PolarHBondContact O-N 3.11Å
255	S	83.3	Confident	90.4	Very high	47 Å²	47	37.7 Å²	37.7	33%	0.329	20%	0.2	S	C	.	.			trans	-69.5	124.6	172.6	-168.3	0	0	0	0	110.1	T250 R251 L257	T250-S255 WeakPolarHBondContact O-CB 3.13Å; T250-S255 PolarHBondContact O-N 2.86Å; T250-S255 VanDerWaalsContact O-N 3.11Å; R251-S255 WeakPolarHBondContact CA-O 3.18Å; S255-L257 VanDerWaalsContact C-N 3.27Å; S255-L257 PolarHBondContact OG-N 3.49Å; S255-L257 PolarHBondContact OG-O 3.33Å
256	R	86.8	Confident	90.6	Very high	117 Å²	117	33.4 Å²	33.4	44%	0.442	18%	0.184	S	C	.	.	S	Bend	trans	-79	-17	172.8	-61.8	177.2	60.3	78.6	-0.6	112	Q197 S198 Q200 G254	Q197-R256 PolarHBondContact O-NE 2.88Å; Q197-R256 PolarHBondContact O-NH2 3.39Å; S198-R256 PolarHBondContact O-NH2 3.31Å; Q200-R256 CarbonylContact C-O 3.55Å; Q200-R256 WeakPolarHBondContact CA-O 3.45Å; Q200-R256 HydrophobicContact CG-CB 4.33Å; G254-R256 PolarHBondContact O-N 3.11Å
257	L	89.9	Confident	90.9	Very high	16 Å²	16	34.6 Å²	34.6	8%	0.084	19%	0.191	C	C	.	.			trans	-121.1	139.6	-170.9	172.8	57.5	0	0	0	109.9	T193 A196 Q197 R201 S255 I259	T193-L257 HydrophobicContact CG2-CD2 3.75Å; A196-L257 HydrophobicContact CB-CD1 3.18Å; A196-L257 HydrophobicContact CB-CD2 4.36Å; A196-L257 HydrophobicContact CB-CG 4.33Å; Q197-L257 HydrophobicContact CG-CB 4.14Å; Q197-L257 HydrophobicContact CG-CD2 4.11Å; R201-L257 WeakPolarHBondContact O-CD1 3.47Å; S255-L257 VanDerWaalsContact C-N 3.27Å; S255-L257 PolarHBondContact OG-N 3.49Å; S255-L257 PolarHBondContact OG-O 3.33Å; L257-I259 HydrophobicContact CD1-CG1 4.01Å; L257-I259 HydrophobicContact CD2-CD1 3.87Å; L257-I259 HydrophobicContact CD2-CG1 3.92Å; L257-I259 HydrophobicContact CG-CD1 4.37Å; L257-I259 HydrophobicContact CG-CG1 3.86Å
258	N	92.1	Very high	91	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	132.2	160.6	-64.6	119.8	0	0	0	111.6	R201 T202 F203 D226 L247 R251	R201-N258 PolarHBondContact O-N 3.37Å; T202-N258 CarbonylContact C-O 3.55Å; T202-N258 WeakPolarHBondContact CA-O 3.35Å; T202-N258 HydrophobicContact CG2-CB 3.81Å; F203-N258 PolarHBondContact N-O 2.98Å; D226-N258 WeakPolarHBondContact OD2-CA 3.26Å; D226-N258 PolarHBondContact OD2-ND2 3.19Å; L247-N258 HydrophobicContact CD2-CB 3.94Å; R251-N258 VanDerWaalsContact CG-OD1 3.26Å; R251-N258 WeakPolarHBondContact CG-OD1 3.33Å; R251-N258 PolarHBondContact NE-OD1 3.13Å
259	I	93.7	Very high	91	Very high	10 Å²	10	37.8 Å²	37.8	5%	0.051	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	126.1	175.1	-59.2	178.9	0	0	0	109.1	V189 L205 A225 D226 L257 I261	V189-I259 HydrophobicContact CG1-CD1 4.33Å; L205-I259 HydrophobicContact CD1-CG2 4.07Å; A225-I259 HydrophobicContact CB-CB 4.39Å; A225-I259 HydrophobicContact CB-CG2 4.12Å; D226-I259 PolarHBondContact N-O 3.4Å; D226-I259 PolarHBondContact OD2-N 2.88Å; L257-I259 HydrophobicContact CD1-CG1 4.01Å; L257-I259 HydrophobicContact CD2-CD1 3.87Å; L257-I259 HydrophobicContact CD2-CG1 3.92Å; L257-I259 HydrophobicContact CG-CD1 4.37Å; L257-I259 HydrophobicContact CG-CG1 3.86Å; I259-I261 HydrophobicContact CG2-CD1 3.6Å; I259-I261 HydrophobicContact CG2-CG1 4.21Å
260	I	96.5	Very high	91.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	125.7	172.2	-58.3	165.8	0	0	0	107.3	T202 F203 V204 L205 W227 F229 L243 L247 V262 I279 V283	T202-I260 HydrophobicContact CG2-CD1 4.05Å; F203-I260 PolarHBondContact O-N 3.44Å; V204-I260 CarbonylContact C-O 3.56Å; V204-I260 WeakPolarHBondContact CA-O 3.46Å; V204-I260 HydrophobicContact CG2-CB 4.41Å; V204-I260 HydrophobicContact CG2-CD1 4.22Å; L205-I260 PolarHBondContact N-O 3.03Å; W227-I260 HydrophobicContact CB-CG1 4.44Å; W227-I260 HydrophobicContact CB-CG2 4.35Å; W227-I260 WeakPolarHBondContact O-CA 3.43Å; F229-I260 HydrophobicContact CD2-CG2 4.01Å; F229-I260 HydrophobicContact CE2-CG2 3.75Å; L243-I260 HydrophobicContact CD1-CD1 4.05Å; L243-I260 HydrophobicContact CD1-CG1 4.34Å; L243-I260 HydrophobicContact CD2-CD1 4.35Å; L247-I260 HydrophobicContact CD1-CD1 3.91Å; L247-I260 HydrophobicContact CD2-CD1 4.19Å; L247-I260 HydrophobicContact CD2-CG1 4.17Å; I260-V262 HydrophobicContact CG2-CG2 4.14Å; I260-I279 HydrophobicContact CD1-CG2 3.86Å; I260-I279 HydrophobicContact CG2-CG2 4.27Å; I260-V283 HydrophobicContact CD1-CG2 4.28Å
261	I	97.4	Very high	91.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	132.8	176.3	-54.5	-58.2	0	0	0	108.8	L205 V207 A216 T219 A225 W227 V228 F229 I259	L205-I261 HydrophobicContact CB-CD1 3.86Å; L205-I261 HydrophobicContact CD1-CD1 3.87Å; L205-I261 HydrophobicContact CG-CD1 4.24Å; V207-I261 HydrophobicContact CG2-CG2 3.79Å; A216-I261 HydrophobicContact CB-CG2 3.84Å; T219-I261 HydrophobicContact CG2-CD1 3.93Å; T219-I261 HydrophobicContact CG2-CG1 4.2Å; T219-I261 HydrophobicContact CG2-CG2 4.42Å; A225-I261 HydrophobicContact CB-CG1 3.73Å; W227-I261 PolarHBondContact O-N 3.26Å; V228-I261 CarbonylContact C-O 3.54Å; V228-I261 VanDerWaalsContact CA-O 3.23Å; V228-I261 WeakPolarHBondContact CA-O 3.36Å; V228-I261 HydrophobicContact CG2-CB 4.06Å; V228-I261 HydrophobicContact CG2-CG2 4.22Å; F229-I261 PolarHBondContact N-O 3.05Å; I259-I261 HydrophobicContact CG2-CD1 3.6Å; I259-I261 HydrophobicContact CG2-CG1 4.21Å
262	V	97.7	Very high	91.6	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.006	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	121.2	-178.9	-172.9	0	0	0	0	108.1	V204 L205 E206 V207 F229 I260 A266 I279	V204-V262 HydrophobicContact CG1-CG2 3.6Å; L205-V262 PolarHBondContact O-N 3.39Å; E206-V262 CarbonylContact C-O 3.6Å; E206-V262 WeakPolarHBondContact CA-O 3.46Å; V207-V262 PolarHBondContact N-O 3.32Å; F229-V262 HydrophobicContact CB-CG1 4.27Å; F229-V262 HydrophobicContact CD2-CG2 4.01Å; I260-V262 HydrophobicContact CG2-CG2 4.14Å; V262-A266 HydrophobicContact CG1-CB 3.91Å; V262-I279 HydrophobicContact CB-CD1 4.5Å; V262-I279 HydrophobicContact CG1-CD1 4.25Å; V262-I279 HydrophobicContact CG2-CD1 3.39Å
263	A	97.7	Very high	92	Very high	2 Å²	2	44.8 Å²	44.8	2%	0.017	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	143	169.1	0	0	0	0	0	109.8	V207 A216 F229 G265 A266	V207-A263 CarbonylContact O-C 3.44Å; A216-A263 HydrophobicContact CB-CB 3.84Å; F229-A263 WeakPolarHBondContact O-CB 3.01Å; F229-A263 PolarHBondContact O-N 2.89Å; A263-G265 PolarHBondContact O-N 3.44Å; A263-G265 VanDerWaalsContact O-N 3.13Å; A263-A266 WeakPolarHBondContact O-CB 3.09Å; A263-A266 PolarHBondContact O-N 3Å
264	E	95.7	Very high	92.7	Very high	86 Å²	86	41.5 Å²	41.5	40%	0.402	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-28.2	178.2	69.7	-175.6	160.2	0	0	113.2	V207 M208 G209 R210	V207-E264 PolarHBondContact O-N 3.32Å; M208-E264 WeakPolarHBondContact CA-OE1 3.37Å; G209-E264 PolarHBondContact N-OE1 3.4Å; R210-E264 VanDerWaalsContact CA-OE1 3.31Å; R210-E264 WeakPolarHBondContact CA-OE1 3.15Å; R210-E264 PolarHBondContact N-OE1 3.27Å
265	G	94.7	Very high	93.3	Very high	12 Å²	12	41.5 Å²	41.5	12%	0.124	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	15.6	174.6	0	0	0	0	0	115.3	R210 P231 A263 I267	R210-G265 VanDerWaalsContact O-CA 3.22Å; R210-G265 WeakPolarHBondContact O-CA 3.39Å; R210-G265 PolarHBondContact O-N 3.09Å; P231-G265 WeakPolarHBondContact CB-O 3.34Å; A263-G265 PolarHBondContact O-N 3.44Å; A263-G265 VanDerWaalsContact O-N 3.13Å; G265-I267 PolarHBondContact O-N 3.34Å
266	A	96.5	Very high	93.9	Very high	4 Å²	4	39.8 Å²	39.8	3%	0.033	21%	0.212	C	C	.	.			trans	-61.9	131.7	-177.8	0	0	0	0	0	112.6	F229 V262 A263 P273 I274	F229-A266 HydrophobicContact CB-CB 3.84Å; V262-A266 HydrophobicContact CG1-CB 3.91Å; A263-A266 WeakPolarHBondContact O-CB 3.09Å; A263-A266 PolarHBondContact O-N 3Å; A266-P273 WeakPolarHBondContact O-CA 3.42Å; A266-I274 HydrophobicContact CB-CB 4.46Å; A266-I274 PolarHBondContact O-N 2.78Å
267	I	95.4	Very high	94.3	Very high	37 Å²	37	37.8 Å²	37.8	19%	0.19	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-133.2	160.3	179.9	58.4	173.6	0	0	0	110.9	P231 P234 G265 K272 F367	P231-I267 HydrophobicContact CB-CG1 4.5Å; P234-I267 WeakPolarHBondContact CB-O 3.37Å; P234-I267 HydrophobicContact CG-CD1 4.34Å; P234-I267 HydrophobicContact CG-CG1 3.98Å; G265-I267 PolarHBondContact O-N 3.34Å; I267-K272 CarbonylContact C-O 3.53Å; I267-K272 VanDerWaalsContact CA-O 3.29Å; I267-K272 WeakPolarHBondContact CA-O 3.26Å; I267-F367 HydrophobicContact CD1-CE1 4.25Å
268	D	93.7	Very high	94.5	Very high	28 Å²	28	40.5 Å²	40.5	15%	0.15	22%	0.222	C	C	.	.			trans	-85.3	175.7	164.6	75.8	7.8	0	0	0	111.6	N270 G271 K272 I274	D268-N270 PolarHBondContact O-N 2.97Å; D268-N270 VanDerWaalsContact O-N 3.14Å; D268-N270 VanDerWaalsContact OD1-CA 3.25Å; D268-N270 WeakPolarHBondContact OD1-CA 3.05Å; D268-N270 WeakPolarHBondContact OD1-CB 3.26Å; D268-N270 PolarHBondContact OD1-N 3.37Å; D268-G271 PolarHBondContact O-N 3.11Å; D268-G271 PolarHBondContact OD1-N 3.43Å; D268-K272 PolarHBondContact N-O 3.23Å; D268-K272 WeakPolarHBondContact OD1-CB 3.5Å; D268-K272 PolarHBondContact OD1-N 3.3Å; D268-K272 WeakPolarHBondContact OD2-CB 3.49Å; D268-I274 HydrophobicContact CB-CD1 4.05Å; D268-I274 HydrophobicContact CB-CG1 4.21Å
269	K	91.5	Very high	94.7	Very high	71 Å²	71	40.5 Å²	40.5	31%	0.309	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-20	177.7	-73.6	-179.8	178.4	-178	0	114.1	P234 P235 D236 G271 K365	P234-K269 HydrophobicContact CB-CG 4.16Å; P235-K269 WeakPolarHBondContact O-CG 3.45Å; D236-K269 VanDerWaalsContact OD1-CE 3.32Å; D236-K269 WeakPolarHBondContact OD1-CE 3.47Å; D236-K269 IonicContact OD1-NZ 3Å; D236-K269 PolarHBondContact OD1-NZ 3.35Å; K269-G271 VanDerWaalsContact C-N 3.33Å; K269-K365 WeakPolarHBondContact O-CD 3.43Å; K269-K365 WeakPolarHBondContact O-CE 3.11Å
270	N	89.8	Confident	94.8	Very high	106 Å²	106	42.5 Å²	42.5	57%	0.567	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-6.9	178	-63.1	-52.1	0	0	0	112.7	D268	D268-N270 PolarHBondContact O-N 2.97Å; D268-N270 VanDerWaalsContact O-N 3.14Å; D268-N270 VanDerWaalsContact OD1-CA 3.25Å; D268-N270 WeakPolarHBondContact OD1-CA 3.05Å; D268-N270 WeakPolarHBondContact OD1-CB 3.26Å; D268-N270 PolarHBondContact OD1-N 3.37Å
271	G	88.2	Confident	94.8	Very high	41 Å²	41	46.5 Å²	46.5	42%	0.423	25%	0.252	S	S	.	.	S	Bend	trans	86.4	8.2	-175.8	0	0	0	0	0	113.3	D268 K269	D268-G271 PolarHBondContact O-N 3.11Å; D268-G271 PolarHBondContact OD1-N 3.43Å; K269-G271 VanDerWaalsContact C-N 3.33Å
272	K	93.2	Very high	94.7	Very high	139 Å²	139	47.3 Å²	47.3	60%	0.604	26%	0.256	S	S	*	.			trans	-77	132.4	175.7	-173.1	-173.3	171.9	-170.8	0	109.1	I267 D268 I274	I267-K272 CarbonylContact C-O 3.53Å; I267-K272 VanDerWaalsContact CA-O 3.29Å; I267-K272 WeakPolarHBondContact CA-O 3.26Å; D268-K272 PolarHBondContact N-O 3.23Å; D268-K272 WeakPolarHBondContact OD1-CB 3.5Å; D268-K272 PolarHBondContact OD1-N 3.3Å; D268-K272 WeakPolarHBondContact OD2-CB 3.49Å; K272-I274 PolarHBondContact O-N 2.9Å
273	P	94.9	Very high	94.6	Very high	83 Å²	83	47.2 Å²	47.2	54%	0.539	26%	0.255	S	S	.	.	B	Isolated β-bridge	trans	-58.4	136.5	174.9	-24.3	34	0	0	0	112.2	A266	A266-P273 WeakPolarHBondContact O-CA 3.42Å
274	I	95.6	Very high	94.5	Very high	12 Å²	12	50.4 Å²	50.4	6%	0.062	27%	0.274	C	S	.	.			trans	-101.9	107.8	169.8	-60.8	176.2	0	0	0	107.4	F229 P235 W239 A266 D268 K272 I279	F229-I274 HydrophobicContact CD1-CD1 3.95Å; F229-I274 HydrophobicContact CD1-CG2 4.17Å; F229-I274 HydrophobicContact CE1-CD1 4.19Å; F229-I274 HydrophobicContact CE1-CG2 4.26Å; P235-I274 HydrophobicContact CG-CD1 3.69Å; W239-I274 HydrophobicContact CH2-CG2 4.36Å; W239-I274 HydrophobicContact CZ2-CG2 4.39Å; A266-I274 HydrophobicContact CB-CB 4.46Å; A266-I274 PolarHBondContact O-N 2.78Å; D268-I274 HydrophobicContact CB-CD1 4.05Å; D268-I274 HydrophobicContact CB-CG1 4.21Å; K272-I274 PolarHBondContact O-N 2.9Å; I274-I279 HydrophobicContact CG2-CD1 3.84Å; I274-I279 HydrophobicContact CG2-CG1 3.97Å
275	T	95.3	Very high	94.5	Very high	60 Å²	60	55.3 Å²	55.3	37%	0.368	29%	0.294	S	S	.	.			trans	-89.4	157.1	-176.8	73.4	0	0	0	0	112.4	E277 D278 I279	T275-E277 PolarHBondContact O-N 3.26Å; T275-D278 WeakPolarHBondContact CB-OD2 3.29Å; T275-D278 PolarHBondContact N-OD2 3.18Å; T275-D278 VanDerWaalsContact N-OD2 3.09Å; T275-D278 PolarHBondContact O-N 3.36Å; T275-D278 PolarHBondContact OG1-N 3.1Å; T275-D278 VanDerWaalsContact OG1-N 3.16Å; T275-D278 PolarHBondContact OG1-OD2 2.72Å; T275-I279 PolarHBondContact O-N 3.42Å
276	S	95.8	Very high	94.5	Very high	11 Å²	11	60.9 Å²	60.9	8%	0.077	31%	0.312	C	S	.	.	H	α-helix	trans	-60.4	-31.3	174.5	52.2	0	0	0	0	112.7	E206 K280 V293	E206-S276 WeakPolarHBondContact OE2-CB 3.36Å; E206-S276 PolarHBondContact OE2-OG 3.34Å; S276-K280 PolarHBondContact O-N 2.78Å; S276-K280 VanDerWaalsContact O-N 3.11Å; S276-V293 WeakPolarHBondContact O-CG2 3.13Å
277	E	95.7	Very high	94.3	Very high	74 Å²	74	62.6 Å²	62.6	35%	0.346	32%	0.32	S	S	.	.	H	α-helix	trans	-74.5	-36.7	176.6	-168.6	59.1	-151.8	0	0	112.4	T275 I279 K280 N281	T275-E277 PolarHBondContact O-N 3.26Å; E277-I279 VanDerWaalsContact C-N 3.32Å; E277-I279 PolarHBondContact O-N 2.63Å; E277-K280 VanDerWaalsContact CD-NZ 3.26Å; E277-K280 PolarHBondContact O-N 2.86Å; E277-K280 IonicContact OE1-NZ 2.77Å; E277-K280 PolarHBondContact OE1-NZ 3Å; E277-K280 IonicContact OE2-NZ 3.32Å; E277-K280 PolarHBondContact OE2-NZ 3.32Å; E277-N281 WeakPolarHBondContact O-CB 3.45Å; E277-N281 VanDerWaalsContact O-CG 3.29Å; E277-N281 PolarHBondContact O-N 2.82Å; E277-N281 PolarHBondContact O-ND2 3.07Å; E277-N281 PolarHBondContact OE1-OD1 3.24Å
278	D	93.8	Very high	94.2	Very high	74 Å²	74	63.8 Å²	63.8	40%	0.396	34%	0.342	S	S	.	.	H	α-helix	trans	-58.3	-46.1	173.3	-64	-42.7	0	0	0	110.8	T275 N281 L282	T275-D278 WeakPolarHBondContact CB-OD2 3.29Å; T275-D278 PolarHBondContact N-OD2 3.18Å; T275-D278 VanDerWaalsContact N-OD2 3.09Å; T275-D278 PolarHBondContact O-N 3.36Å; T275-D278 PolarHBondContact OG1-N 3.1Å; T275-D278 VanDerWaalsContact OG1-N 3.16Å; T275-D278 PolarHBondContact OG1-OD2 2.72Å; D278-N281 PolarHBondContact O-N 2.92Å; D278-L282 WeakPolarHBondContact O-CB 3.38Å; D278-L282 PolarHBondContact O-N 3.26Å
279	I	95.8	Very high	94.2	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-63.8	-44.4	178.4	-65.8	162	0	0	0	110.9	V204 F229 W239 L243 I260 V262 I274 T275 E277 L282 V283	V204-I279 HydrophobicContact CG1-CB 4.41Å; V204-I279 HydrophobicContact CG1-CG2 4.29Å; V204-I279 HydrophobicContact CG2-CB 4.46Å; V204-I279 HydrophobicContact CG2-CG2 3.8Å; F229-I279 HydrophobicContact CD2-CD1 3.64Å; F229-I279 HydrophobicContact CE2-CD1 3.48Å; F229-I279 VanDerWaalsContact CE2-CD1 3.48Å; F229-I279 HydrophobicContact CE2-CG1 4.1Å; F229-I279 HydrophobicContact CG-CD1 4.27Å; F229-I279 HydrophobicContact CZ-CD1 3.99Å; F229-I279 HydrophobicContact CZ-CG1 4.23Å; W239-I279 HydrophobicContact CH2-CG1 4.1Å; W239-I279 HydrophobicContact CZ3-CG1 4.27Å; L243-I279 HydrophobicContact CD2-CG2 4.09Å; I260-I279 HydrophobicContact CD1-CG2 3.86Å; I260-I279 HydrophobicContact CG2-CG2 4.27Å; V262-I279 HydrophobicContact CB-CD1 4.5Å; V262-I279 HydrophobicContact CG1-CD1 4.25Å; V262-I279 HydrophobicContact CG2-CD1 3.39Å; I274-I279 HydrophobicContact CG2-CD1 3.84Å; I274-I279 HydrophobicContact CG2-CG1 3.97Å; T275-I279 PolarHBondContact O-N 3.42Å; E277-I279 VanDerWaalsContact C-N 3.32Å; E277-I279 PolarHBondContact O-N 2.63Å; I279-L282 WeakPolarHBondContact O-CB 3.38Å; I279-L282 PolarHBondContact O-N 3.29Å; I279-V283 HydrophobicContact CG2-CG2 4.45Å; I279-V283 VanDerWaalsContact O-CG2 3.31Å; I279-V283 WeakPolarHBondContact O-CG2 3.31Å; I279-V283 PolarHBondContact O-N 3.15Å
280	K	96.8	Very high	94.2	Very high	52 Å²	52	63.9 Å²	63.9	23%	0.226	34%	0.343	C	S	.	.	H	α-helix	trans	-59.6	-49.7	176.4	169.4	178.9	151	-126.8	0	111.2	S276 E277 L282 V283 V284 T291 V293	S276-K280 PolarHBondContact O-N 2.78Å; S276-K280 VanDerWaalsContact O-N 3.11Å; E277-K280 VanDerWaalsContact CD-NZ 3.26Å; E277-K280 PolarHBondContact O-N 2.86Å; E277-K280 IonicContact OE1-NZ 2.77Å; E277-K280 PolarHBondContact OE1-NZ 3Å; E277-K280 IonicContact OE2-NZ 3.32Å; E277-K280 PolarHBondContact OE2-NZ 3.32Å; K280-L282 VanDerWaalsContact C-N 3.29Å; K280-L282 PolarHBondContact O-N 3.4Å; K280-V283 PolarHBondContact O-N 2.68Å; K280-V284 HydrophobicContact CG-CG2 4.33Å; K280-V284 WeakPolarHBondContact O-CB 3.48Å; K280-V284 VanDerWaalsContact O-CG2 3.28Å; K280-V284 WeakPolarHBondContact O-CG2 3.42Å; K280-V284 PolarHBondContact O-N 3.3Å; K280-T291 HydrophobicContact CB-CG2 4.14Å; K280-T291 HydrophobicContact CG-CG2 4.05Å; K280-V293 HydrophobicContact CB-CG2 3.71Å; K280-V293 HydrophobicContact CD-CG2 3.61Å; K280-V293 HydrophobicContact CG-CG2 4.26Å
281	N	96.5	Very high	94.5	Very high	84 Å²	84	59 Å²	59	45%	0.449	32%	0.317	S	S	.	.	H	α-helix	trans	-60.3	-41.2	-179.7	-74	-31.7	0	0	0	111.6	E277 D278 K285	E277-N281 WeakPolarHBondContact O-CB 3.45Å; E277-N281 VanDerWaalsContact O-CG 3.29Å; E277-N281 PolarHBondContact O-N 2.82Å; E277-N281 PolarHBondContact O-ND2 3.07Å; E277-N281 PolarHBondContact OE1-OD1 3.24Å; D278-N281 PolarHBondContact O-N 2.92Å; N281-K285 WeakPolarHBondContact O-CB 3.4Å; N281-K285 PolarHBondContact O-N 3.49Å
282	L	95.5	Very high	94.8	Very high	16 Å²	16	62.9 Å²	62.9	8%	0.084	32%	0.319	C	S	.	.	H	α-helix	trans	-58.9	-53	174.4	175.9	69	0	0	0	112.1	W239 E240 L243 D278 I279 K280 V284 K285 R286	W239-L282 HydrophobicContact CE3-CD2 4.36Å; W239-L282 HydrophobicContact CH2-CD2 3.69Å; W239-L282 HydrophobicContact CZ3-CD2 3.54Å; E240-L282 HydrophobicContact CB-CD1 3.93Å; E240-L282 HydrophobicContact CB-CD2 3.78Å; E240-L282 HydrophobicContact CB-CG 4.5Å; E240-L282 HydrophobicContact CG-CD1 4.05Å; E240-L282 HydrophobicContact CG-CD2 3.76Å; E240-L282 WeakPolarHBondContact OE2-CD1 3.15Å; L243-L282 HydrophobicContact CD2-CD2 4.14Å; D278-L282 WeakPolarHBondContact O-CB 3.38Å; D278-L282 PolarHBondContact O-N 3.26Å; I279-L282 WeakPolarHBondContact O-CB 3.38Å; I279-L282 PolarHBondContact O-N 3.29Å; K280-L282 VanDerWaalsContact C-N 3.29Å; K280-L282 PolarHBondContact O-N 3.4Å; L282-V284 PolarHBondContact O-N 2.9Å; L282-K285 PolarHBondContact O-N 3.43Å; L282-R286 HydrophobicContact CD1-CG 3.92Å; L282-R286 VanDerWaalsContact CD1-NE 3.3Å; L282-R286 WeakPolarHBondContact O-CB 3.22Å; L282-R286 PolarHBondContact O-N 2.91Å
283	V	95	Very high	95	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-64.5	-41.9	-176.8	173.9	0	0	0	0	111.1	T202 L243 L247 I260 I279 K280 L287 G288 Y289 T291	T202-V283 HydrophobicContact CG2-CG1 4.33Å; L243-V283 HydrophobicContact CD2-CG2 4.3Å; L247-V283 HydrophobicContact CD1-CG1 4.15Å; L247-V283 HydrophobicContact CD1-CG2 3.64Å; I260-V283 HydrophobicContact CD1-CG2 4.28Å; I279-V283 HydrophobicContact CG2-CG2 4.45Å; I279-V283 VanDerWaalsContact O-CG2 3.31Å; I279-V283 WeakPolarHBondContact O-CG2 3.31Å; I279-V283 PolarHBondContact O-N 3.15Å; K280-V283 PolarHBondContact O-N 2.68Å; V283-L287 HydrophobicContact CG1-CD1 4.4Å; V283-L287 WeakPolarHBondContact O-CA 3.41Å; V283-L287 WeakPolarHBondContact O-CB 3.32Å; V283-L287 PolarHBondContact O-N 3.21Å; V283-G288 PolarHBondContact O-N 2.82Å; V283-Y289 HydrophobicContact CG1-CD2 4.32Å; V283-T291 HydrophobicContact CB-CG2 4.44Å; V283-T291 HydrophobicContact CG1-CG2 4.43Å; V283-T291 VanDerWaalsContact CG1-OG1 3.22Å; V283-T291 WeakPolarHBondContact CG1-OG1 3.32Å
284	V	95.9	Very high	95.1	Very high	68 Å²	68	56.3 Å²	56.3	41%	0.412	29%	0.289	S	S	.	.	H	α-helix	trans	-63.6	-47.7	176.5	173.7	0	0	0	0	110.6	K280 L282 G288	K280-V284 HydrophobicContact CG-CG2 4.33Å; K280-V284 WeakPolarHBondContact O-CB 3.48Å; K280-V284 VanDerWaalsContact O-CG2 3.28Å; K280-V284 WeakPolarHBondContact O-CG2 3.42Å; K280-V284 PolarHBondContact O-N 3.3Å; L282-V284 PolarHBondContact O-N 2.9Å; V284-G288 VanDerWaalsContact O-CA 3.25Å; V284-G288 WeakPolarHBondContact O-CA 3.35Å; V284-G288 PolarHBondContact O-N 3.42Å
285	K	95.6	Very high	95.1	Very high	189 Å²	189	59.7 Å²	59.7	82%	0.822	31%	0.31	S	S	*	.	H	α-helix	trans	-68.4	-43.6	-176.7	-175.8	-179.6	178.2	-177.2	0	113	N281 L282	N281-K285 WeakPolarHBondContact O-CB 3.4Å; N281-K285 PolarHBondContact O-N 3.49Å; L282-K285 PolarHBondContact O-N 3.43Å
286	R	94.2	Very high	95.1	Very high	130 Å²	130	57.5 Å²	57.5	49%	0.491	30%	0.296	S	S	.	.	H	α-helix	trans	-87.6	-34.8	-174.6	-69.2	-164.2	-174.8	-150.8	7.6	113.8	E240 L282	E240-R286 IonicContact OE2-CZ 3.97Å; E240-R286 IonicContact OE2-NE 3.28Å; E240-R286 IonicContact OE2-NH2 2.72Å; E240-R286 PolarHBondContact OE2-NH2 3.17Å; L282-R286 HydrophobicContact CD1-CG 3.92Å; L282-R286 VanDerWaalsContact CD1-NE 3.3Å; L282-R286 WeakPolarHBondContact O-CB 3.22Å; L282-R286 PolarHBondContact O-N 2.91Å
287	L	92.9	Very high	95	Very high	39 Å²	39	57.9 Å²	57.9	20%	0.204	30%	0.302	C	S	.	.	H	α-helix	trans	-111.4	-16.5	-175.1	-59.4	-175.9	0	0	0	114.4	C244 L247 S248 V283 Y289	C244-L287 HydrophobicContact CB-CD1 4.29Å; C244-L287 HydrophobicContact CB-CD2 3.98Å; C244-L287 HydrophobicContact CB-CG 4.18Å; L247-L287 HydrophobicContact CB-CD1 3.84Å; L247-L287 HydrophobicContact CD1-CD1 4.09Å; S248-L287 VanDerWaalsContact OG-CD2 3.24Å; S248-L287 WeakPolarHBondContact OG-CD2 3.32Å; V283-L287 HydrophobicContact CG1-CD1 4.4Å; V283-L287 WeakPolarHBondContact O-CA 3.41Å; V283-L287 WeakPolarHBondContact O-CB 3.32Å; V283-L287 PolarHBondContact O-N 3.21Å; L287-Y289 HydrophobicContact CB-CD1 3.95Å; L287-Y289 HydrophobicContact CB-CD2 4.01Å; L287-Y289 HydrophobicContact CB-CE1 4.03Å; L287-Y289 HydrophobicContact CB-CE2 4.11Å; L287-Y289 HydrophobicContact CB-CG 3.94Å; L287-Y289 HydrophobicContact CD1-CD2 3.86Å; L287-Y289 HydrophobicContact CD1-CE2 3.6Å; L287-Y289 HydrophobicContact CG-CE2 4.47Å; L287-Y289 VanDerWaalsContact O-CD1 3.26Å; L287-Y289 WeakPolarHBondContact O-CD1 3.35Å; L287-Y289 WeakPolarHBondContact O-CE1 3.26Å; L287-Y289 PolarHBondContact O-N 3.32Å
288	G	92.5	Very high	94.9	Very high	63 Å²	63	60.3 Å²	60.3	65%	0.649	31%	0.313	S	S	*	.			trans	69	17.8	-176.9	0	0	0	0	0	114.3	V283 V284	V283-G288 PolarHBondContact O-N 2.82Å; V284-G288 VanDerWaalsContact O-CA 3.25Å; V284-G288 WeakPolarHBondContact O-CA 3.35Å; V284-G288 PolarHBondContact O-N 3.42Å
289	Y	92.8	Very high	95	Very high	42 Å²	42	60.3 Å²	60.3	17%	0.165	32%	0.315	C	S	.	.			trans	-80.9	137.6	-178.7	-64.8	-6.8	0	0	0	111.6	L247 R251 V283 L287 T291	L247-Y289 HydrophobicContact CB-CE2 4.33Å; R251-Y289 VanDerWaalsContact CD-CE2 3.47Å; R251-Y289 VanDerWaalsContact CD-CZ 3.47Å; R251-Y289 HydrophobicContact CG-CE2 4.03Å; R251-Y289 VanDerWaalsContact CZ-CG 3.43Å; R251-Y289 VanDerWaalsContact NE-CD2 3.34Å; V283-Y289 HydrophobicContact CG1-CD2 4.32Å; L287-Y289 HydrophobicContact CB-CD1 3.95Å; L287-Y289 HydrophobicContact CB-CD2 4.01Å; L287-Y289 HydrophobicContact CB-CE1 4.03Å; L287-Y289 HydrophobicContact CB-CE2 4.11Å; L287-Y289 HydrophobicContact CB-CG 3.94Å; L287-Y289 HydrophobicContact CD1-CD2 3.86Å; L287-Y289 HydrophobicContact CD1-CE2 3.6Å; L287-Y289 HydrophobicContact CG-CE2 4.47Å; L287-Y289 VanDerWaalsContact O-CD1 3.26Å; L287-Y289 WeakPolarHBondContact O-CD1 3.35Å; L287-Y289 WeakPolarHBondContact O-CE1 3.26Å; L287-Y289 PolarHBondContact O-N 3.32Å; Y289-T291 PolarHBondContact O-N 3.19Å; Y289-T291 PolarHBondContact O-OG1 3Å
290	D	93.2	Very high	95	Very high	59 Å²	59	60.3 Å²	60.3	32%	0.316	32%	0.315	S	S	.	.			trans	-63.6	103.7	169.8	-177.1	12.4	0	0	0	109.1	R201 T202 R292	R201-D290 HydrophobicContact CG-CB 4.18Å; R201-D290 IonicContact CZ-OD2 2.79Å; R201-D290 IonicContact NE-OD2 2.78Å; R201-D290 PolarHBondContact NE-OD2 3.35Å; R201-D290 IonicContact NH2-OD2 3.88Å; R201-D290 PolarHBondContact NH2-OD2 3.32Å; T202-D290 PolarHBondContact N-O 3.28Å; D290-R292 IonicContact OD1-CZ 3.67Å; D290-R292 VanDerWaalsContact OD1-CZ 3.28Å; D290-R292 IonicContact OD1-NE 2.78Å; D290-R292 PolarHBondContact OD1-NE 2.99Å; D290-R292 IonicContact OD1-NH2 3.68Å; D290-R292 PolarHBondContact OD1-NH2 2.84Å; D290-R292 IonicContact OD2-NH2 3.7Å
291	T	95	Very high	94.8	Very high	4 Å²	4	61 Å²	61	3%	0.025	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	129.6	-170.5	-54.7	0	0	0	0	110.4	T202 V204 K280 V283 Y289	T202-T291 HydrophobicContact CG2-CG2 4.02Å; T202-T291 CarbonylContact O-C 3.45Å; T202-T291 VanDerWaalsContact O-CA 3.27Å; T202-T291 WeakPolarHBondContact O-CA 3.4Å; V204-T291 HydrophobicContact CG2-CG2 3.93Å; K280-T291 HydrophobicContact CB-CG2 4.14Å; K280-T291 HydrophobicContact CG-CG2 4.05Å; V283-T291 HydrophobicContact CB-CG2 4.44Å; V283-T291 HydrophobicContact CG1-CG2 4.43Å; V283-T291 VanDerWaalsContact CG1-OG1 3.22Å; V283-T291 WeakPolarHBondContact CG1-OG1 3.32Å; Y289-T291 PolarHBondContact O-N 3.19Å; Y289-T291 PolarHBondContact O-OG1 3Å
292	R	95.8	Very high	94.6	Very high	121 Å²	121	58.2 Å²	58.2	46%	0.457	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	141.7	-179.9	-58	-63.7	164.4	174.2	-3.6	110.6	T202 F203 V204 D290	T202-R292 PolarHBondContact O-N 3.4Å; F203-R292 CarbonylContact C-O 3.35Å; F203-R292 WeakPolarHBondContact CA-O 3.24Å; F203-R292 HydrophobicContact CD1-CB 3.97Å; F203-R292 HydrophobicContact CE1-CB 3.75Å; F203-R292 HydrophobicContact CE1-CG 4.38Å; F203-R292 HydrophobicContact CZ-CB 4.16Å; F203-R292 HydrophobicContact CZ-CG 4.33Å; V204-R292 PolarHBondContact N-O 3.38Å; D290-R292 IonicContact OD1-CZ 3.67Å; D290-R292 VanDerWaalsContact OD1-CZ 3.28Å; D290-R292 IonicContact OD1-NE 2.78Å; D290-R292 PolarHBondContact OD1-NE 2.99Å; D290-R292 IonicContact OD1-NH2 3.68Å; D290-R292 PolarHBondContact OD1-NH2 2.84Å; D290-R292 IonicContact OD2-NH2 3.7Å
293	V	96.5	Very high	94.4	Very high	42 Å²	42	59.5 Å²	59.5	26%	0.255	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	137.7	172.6	172.8	0	0	0	0	108.2	V204 S276 K280 V295	V204-V293 HydrophobicContact CB-CG2 4.12Å; V204-V293 CarbonylContact O-C 3.45Å; V204-V293 WeakPolarHBondContact O-CA 3.34Å; S276-V293 WeakPolarHBondContact O-CG2 3.13Å; K280-V293 HydrophobicContact CB-CG2 3.71Å; K280-V293 HydrophobicContact CD-CG2 3.61Å; K280-V293 HydrophobicContact CG-CG2 4.26Å; V293-V295 HydrophobicContact CG1-CG2 4.16Å
294	T	96	Very high	94.4	Very high	43 Å²	43	63.1 Å²	63.1	26%	0.264	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	112	169.4	-55.3	0	0	0	0	108.7	I192 V204 L205 E206 L296	I192-T294 HydrophobicContact CD1-CG2 3.97Å; V204-T294 PolarHBondContact O-N 3.21Å; L205-T294 WeakPolarHBondContact CA-O 3.15Å; E206-T294 PolarHBondContact N-O 3.35Å; T294-L296 HydrophobicContact CG2-CD1 4.32Å; T294-L296 WeakPolarHBondContact O-CD1 3.37Å
295	V	96.3	Very high	94.5	Very high	83 Å²	83	60 Å²	60	50%	0.503	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	111.8	171.4	-177	0	0	0	0	107.5	E206 V293 G297	E206-V295 HydrophobicContact CB-CB 4.42Å; E206-V295 HydrophobicContact CB-CG1 4.37Å; E206-V295 HydrophobicContact CB-CG2 4.12Å; V293-V295 HydrophobicContact CG1-CG2 4.16Å; V295-G297 VanDerWaalsContact C-N 3.33Å
296	L	94.7	Very high	94.6	Very high	13 Å²	13	51.3 Å²	51.3	7%	0.068	29%	0.291	C	S	.	.			trans	-66.3	-41.3	-176.7	-80.9	60.1	0	0	0	110.2	I185 I188 L205 E206 V207 T294 V299 Q300	I185-L296 HydrophobicContact CB-CD2 4.12Å; I185-L296 HydrophobicContact CG1-CD2 3.91Å; I185-L296 HydrophobicContact CG2-CD2 3.87Å; I188-L296 HydrophobicContact CD1-CB 4.39Å; I188-L296 HydrophobicContact CD1-CD2 4.14Å; I188-L296 HydrophobicContact CD1-CG 3.9Å; I188-L296 HydrophobicContact CG2-CD1 4.34Å; I188-L296 HydrophobicContact CG2-CG 4.1Å; L205-L296 HydrophobicContact CB-CD1 4.25Å; E206-L296 PolarHBondContact O-N 3.13Å; V207-L296 HydrophobicContact CG2-CD2 4.45Å; T294-L296 HydrophobicContact CG2-CD1 4.32Å; T294-L296 WeakPolarHBondContact O-CD1 3.37Å; L296-V299 HydrophobicContact CB-CG2 4.17Å; L296-V299 WeakPolarHBondContact O-CG2 3.46Å; L296-Q300 HydrophobicContact CB-CG 4.09Å; L296-Q300 VanDerWaalsContact CB-NE2 3.3Å; L296-Q300 HydrophobicContact CD2-CG 4.32Å
297	G	93.6	Very high	94.7	Very high	20 Å²	20	45.1 Å²	45.1	21%	0.206	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	60.6	-146.4	179.2	0	0	0	0	0	112.9	M208 V295 V299 Q300	M208-G297 VanDerWaalsContact SD-O 3.39Å; V295-G297 VanDerWaalsContact C-N 3.33Å; G297-V299 PolarHBondContact O-N 3.42Å; G297-V299 VanDerWaalsContact O-N 3.07Å; G297-Q300 WeakPolarHBondContact O-CG 3.48Å; G297-Q300 PolarHBondContact O-N 3.16Å; G297-Q300 PolarHBondContact O-NE2 2.84Å
298	H	94.1	Very high	94.9	Very high	125 Å²	125	45.9 Å²	45.9	58%	0.579	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-68.1	-8.7	-167.2	-70.7	88.5	0	0	0	116	Q300 R301 G302	H298-Q300 PolarHBondContact O-N 3.49Å; H298-Q300 VanDerWaalsContact O-N 3.09Å; H298-R301 VanDerWaalsContact CD2-CZ 3.41Å; H298-R301 PolarHBondContact CD2-NH2 3.03Å; H298-R301 PolarHBondContact NE2-NH2 2.95Å; H298-R301 PolarHBondContact O-N 3.44Å; H298-G302 PolarHBondContact O-N 2.95Å
299	V	95.5	Very high	95.1	Very high	73 Å²	73	42.9 Å²	42.9	44%	0.442	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-56.4	-24.2	170.7	-57.6	0	0	0	0	112.1	R184 I188 L296 G297 G302	R184-V299 WeakPolarHBondContact CG-O 3.24Å; I188-V299 HydrophobicContact CD1-CB 4.3Å; I188-V299 HydrophobicContact CD1-CG2 3.32Å; L296-V299 HydrophobicContact CB-CG2 4.17Å; L296-V299 WeakPolarHBondContact O-CG2 3.46Å; G297-V299 PolarHBondContact O-N 3.42Å; G297-V299 VanDerWaalsContact O-N 3.07Å; V299-G302 PolarHBondContact O-N 3.06Å
300	Q	96	Very high	95.4	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-73.4	-23.1	176.6	-61.6	171.1	83.7	0	0	113.4	I165 A181 I185 V207 M208 L296 G297 H298	I165-Q300 HydrophobicContact CD1-CB 4.37Å; A181-Q300 WeakPolarHBondContact CA-O 3.44Å; A181-Q300 WeakPolarHBondContact CB-O 3.41Å; I185-Q300 HydrophobicContact CD1-CG 4.47Å; I185-Q300 HydrophobicContact CG1-CG 3.81Å; V207-Q300 VanDerWaalsContact CG1-OE1 3.32Å; M208-Q300 VanDerWaalsContact CG-NE2 3.31Å; M208-Q300 HydrophobicContact SD-CB 4.21Å; L296-Q300 HydrophobicContact CB-CG 4.09Å; L296-Q300 VanDerWaalsContact CB-NE2 3.3Å; L296-Q300 HydrophobicContact CD2-CG 4.32Å; G297-Q300 WeakPolarHBondContact O-CG 3.48Å; G297-Q300 PolarHBondContact O-N 3.16Å; G297-Q300 PolarHBondContact O-NE2 2.84Å; H298-Q300 PolarHBondContact O-N 3.49Å; H298-Q300 VanDerWaalsContact O-N 3.09Å
301	R	93	Very high	95.5	Very high	68 Å²	68	38.6 Å²	38.6	26%	0.257	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-96	3.6	172.5	-63.8	-148.9	-62	-109.1	0.6	112.7	D26 Q28 I165 M208 H298	D26-R301 IonicContact OD1-NE 2.98Å; Q28-R301 PolarHBondContact NE2-O 2.61Å; Q28-R301 VanDerWaalsContact OE1-C 3.28Å; Q28-R301 PolarHBondContact OE1-O 3.38Å; I165-R301 HydrophobicContact CD1-CG 3.71Å; I165-R301 HydrophobicContact CG1-CG 4.33Å; I165-R301 HydrophobicContact CG2-CG 4.48Å; M208-R301 HydrophobicContact CE-CG 4.43Å; M208-R301 HydrophobicContact SD-CG 4.49Å; H298-R301 VanDerWaalsContact CD2-CZ 3.41Å; H298-R301 PolarHBondContact CD2-NH2 3.03Å; H298-R301 PolarHBondContact NE2-NH2 2.95Å; H298-R301 PolarHBondContact O-N 3.44Å
302	G	91.8	Very high	95.5	Very high	25 Å²	25	38.6 Å²	38.6	26%	0.258	22%	0.218	S	C	.	.			trans	-111.3	172	-173.7	0	0	0	0	0	113.6	Q28 R184 H298 V299	Q28-G302 VanDerWaalsContact NE2-CA 3.29Å; Q28-G302 PolarHBondContact NE2-O 3.45Å; R184-G302 WeakPolarHBondContact CD-O 3.47Å; H298-G302 PolarHBondContact O-N 2.95Å; V299-G302 PolarHBondContact O-N 3.06Å
303	G	92.8	Very high	95.4	Very high	42 Å²	42	32.9 Å²	32.9	43%	0.433	20%	0.196	S	C	.	.	S	Bend	trans	90	178.4	173.8	0	0	0	0	0	114.5	Q28 G80	Q28-G303 WeakPolarHBondContact CG-O 3.03Å; Q28-G303 PolarHBondContact NE2-O 3.35Å; G80-G303 WeakPolarHBondContact CA-O 3.32Å
304	T	94.8	Very high	95.4	Very high	77 Å²	77	30.9 Å²	30.9	47%	0.472	18%	0.184	S	C	.	.	P	Polyproline II helix	trans	-73.8	137.3	179.9	-72.6	0	0	0	0	110.5	Q78	Q78-T304 HydrophobicContact CB-CG2 4.37Å; Q78-T304 WeakPolarHBondContact O-CG2 3.34Å; Q78-T304 PolarHBondContact O-OG1 3.31Å; Q78-T304 VanDerWaalsContact O-OG1 3.1Å
305	P	97.2	Very high	95.2	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.019	18%	0.177	C	C	.	.	P	Polyproline II helix	trans	-65	144.6	178.6	25.5	-34.4	0	0	0	112.4	Q28 L77 S180 D309 R310	Q28-P305 HydrophobicContact CB-CB 3.95Å; L77-P305 WeakPolarHBondContact O-CG 3.5Å; S180-P305 WeakPolarHBondContact OG-CA 2.95Å; P305-D309 HydrophobicContact CB-CB 4.39Å; P305-R310 HydrophobicContact CB-CG 3.97Å; P305-R310 HydrophobicContact CG-CG 3.77Å; P305-R310 PolarHBondContact O-NE 2.81Å; P305-R310 PolarHBondContact O-NH2 3.04Å; P305-R310 VanDerWaalsContact O-NH2 3.12Å
306	S	97.8	Very high	95.2	Very high	6 Å²	6	26.5 Å²	26.5	4%	0.042	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-61.1	161.4	171.3	75.9	0	0	0	0	111.1	D179 S180 F308 D309 R310	D179-S306 WeakPolarHBondContact OD2-CB 3.33Å; D179-S306 PolarHBondContact OD2-OG 3.3Å; S180-S306 PolarHBondContact OG-N 2.56Å; S306-F308 PolarHBondContact O-N 3.05Å; S306-F308 PolarHBondContact OG-N 3.21Å; S306-D309 PolarHBondContact O-N 2.76Å; S306-D309 PolarHBondContact OG-N 2.96Å; S306-D309 VanDerWaalsContact OG-N 3.16Å; S306-R310 VanDerWaalsContact O-CG 3.32Å; S306-R310 WeakPolarHBondContact O-CG 3.5Å; S306-R310 PolarHBondContact O-N 3.36Å; S306-R310 VanDerWaalsContact O-N 3.14Å
307	A	97.4	Very high	95.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-60.8	-35.9	176.2	0	0	0	0	0	111.9	I311 L546 N547 C550 A587	A307-I311 VanDerWaalsContact O-CG1 3.26Å; A307-I311 WeakPolarHBondContact O-CG1 3.34Å; A307-I311 PolarHBondContact O-N 3.29Å; A307-I311 VanDerWaalsContact O-N 3.09Å; A307-L546 HydrophobicContact CB-CD1 4.37Å; A307-L546 HydrophobicContact CB-CD2 3.95Å; A307-L546 HydrophobicContact CB-CG 3.61Å; A307-N547 PolarHBondContact N-OD1 2.58Å; A307-C550 HydrophobicContact CB-CB 3.97Å; A307-A587 HydrophobicContact CB-CB 4.07Å
308	F	96.4	Very high	95.2	Very high	54 Å²	54	25.5 Å²	25.5	24%	0.237	14%	0.144	C	C	.	.	H	α-helix	trans	-61.5	-52	176.1	178.9	-91.4	0	0	0	111.7	M174 D179 S306 R310 I311 L312 L338	M174-F308 HydrophobicContact CB-CE1 4.19Å; M174-F308 HydrophobicContact CB-CZ 4.24Å; M174-F308 HydrophobicContact CG-CE1 3.64Å; M174-F308 HydrophobicContact CG-CZ 4.13Å; D179-F308 HydrophobicContact CB-CB 4.45Å; D179-F308 HydrophobicContact CB-CD1 3.74Å; D179-F308 HydrophobicContact CB-CE1 4.47Å; D179-F308 HydrophobicContact CB-CG 4.42Å; S306-F308 PolarHBondContact O-N 3.05Å; S306-F308 PolarHBondContact OG-N 3.21Å; F308-R310 VanDerWaalsContact C-N 3.29Å; F308-R310 PolarHBondContact O-N 2.91Å; F308-I311 PolarHBondContact O-N 2.74Å; F308-I311 VanDerWaalsContact O-N 3.12Å; F308-L312 HydrophobicContact CD1-CB 4.49Å; F308-L312 HydrophobicContact CE1-CB 4.21Å; F308-L312 HydrophobicContact CE1-CD2 3.71Å; F308-L312 HydrophobicContact CE1-CG 4.44Å; F308-L312 HydrophobicContact CZ-CD2 4.26Å; F308-L312 VanDerWaalsContact O-CB 3.31Å; F308-L312 WeakPolarHBondContact O-CB 3.49Å; F308-L312 PolarHBondContact O-N 3.31Å; F308-L338 HydrophobicContact CZ-CD2 3.9Å
309	D	97.3	Very high	95.1	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-66	-30.8	-178.1	-81.6	-41.2	0	0	0	113	G177 S180 P305 S306 G313	G177-D309 VanDerWaalsContact CA-OD2 3.27Å; G177-D309 WeakPolarHBondContact CA-OD2 3.36Å; G177-D309 PolarHBondContact N-OD1 2.73Å; G177-D309 PolarHBondContact N-OD2 3.3Å; S180-D309 WeakPolarHBondContact CB-OD2 3.45Å; S180-D309 PolarHBondContact N-OD2 2.88Å; S180-D309 PolarHBondContact OG-OD2 3.35Å; P305-D309 HydrophobicContact CB-CB 4.39Å; S306-D309 PolarHBondContact O-N 2.76Å; S306-D309 PolarHBondContact OG-N 2.96Å; S306-D309 VanDerWaalsContact OG-N 3.16Å; D309-G313 PolarHBondContact O-N 2.87Å
310	R	97.4	Very high	95.1	Very high	3 Å²	3	17.5 Å²	17.5	1%	0.011	10%	0.102	C	C	.	.	H	α-helix	trans	-64.7	-44.9	171.8	-67.6	-179.5	-153.7	-161.7	4.4	112.1	A32 L77 P305 S306 F308 S314 C550 D554 A587	A32-R310 HydrophobicContact CB-CB 4.5Å; A32-R310 WeakPolarHBondContact CB-O 3.22Å; L77-R310 WeakPolarHBondContact O-CD 3.34Å; L77-R310 WeakPolarHBondContact O-CG 3.31Å; L77-R310 PolarHBondContact O-NE 3.28Å; P305-R310 HydrophobicContact CB-CG 3.97Å; P305-R310 HydrophobicContact CG-CG 3.77Å; P305-R310 PolarHBondContact O-NE 2.81Å; P305-R310 PolarHBondContact O-NH2 3.04Å; P305-R310 VanDerWaalsContact O-NH2 3.12Å; S306-R310 VanDerWaalsContact O-CG 3.32Å; S306-R310 WeakPolarHBondContact O-CG 3.5Å; S306-R310 PolarHBondContact O-N 3.36Å; S306-R310 VanDerWaalsContact O-N 3.14Å; F308-R310 VanDerWaalsContact C-N 3.29Å; F308-R310 PolarHBondContact O-N 2.91Å; R310-S314 VanDerWaalsContact O-CB 3.3Å; R310-S314 WeakPolarHBondContact O-CB 3.43Å; R310-S314 PolarHBondContact O-N 2.95Å; R310-S314 PolarHBondContact O-OG 3.2Å; R310-C550 PolarHBondContact NH1-SG 3.24Å; R310-D554 IonicContact CZ-OD1 3.05Å; R310-D554 IonicContact CZ-OD2 3.77Å; R310-D554 VanDerWaalsContact NH1-CG 3.31Å; R310-D554 IonicContact NH1-OD1 2.68Å; R310-D554 PolarHBondContact NH1-OD1 3.5Å; R310-D554 IonicContact NH1-OD2 3.65Å; R310-D554 PolarHBondContact NH1-OD2 3.48Å; R310-D554 IonicContact NH2-OD2 2.71Å; R310-D554 PolarHBondContact NH2-OD2 2.75Å; R310-A587 HydrophobicContact CB-CB 4.38Å; R310-A587 WeakPolarHBondContact CD-O 3.26Å
311	I	95.4	Very high	95.1	Very high	8 Å²	8	17.5 Å²	17.5	4%	0.041	10%	0.102	C	C	.	.	H	α-helix	trans	-69.4	-45.8	179.1	-68.4	170.5	0	0	0	109.9	A307 F308 S314 R315 L546 M583 L586 A587	A307-I311 VanDerWaalsContact O-CG1 3.26Å; A307-I311 WeakPolarHBondContact O-CG1 3.34Å; A307-I311 PolarHBondContact O-N 3.29Å; A307-I311 VanDerWaalsContact O-N 3.09Å; F308-I311 PolarHBondContact O-N 2.74Å; F308-I311 VanDerWaalsContact O-N 3.12Å; I311-S314 PolarHBondContact O-N 2.78Å; I311-R315 HydrophobicContact CG2-CG 4.16Å; I311-R315 WeakPolarHBondContact O-CB 3.34Å; I311-R315 WeakPolarHBondContact O-CG 3.41Å; I311-R315 PolarHBondContact O-N 3.48Å; I311-L546 HydrophobicContact CD1-CD2 3.94Å; I311-M583 HydrophobicContact CD1-CB 4.08Å; I311-M583 HydrophobicContact CD1-CE 3.74Å; I311-M583 WeakPolarHBondContact CD1-O 3.49Å; I311-M583 HydrophobicContact CD1-SD 4.44Å; I311-M583 HydrophobicContact CG2-CE 4.11Å; I311-L586 HydrophobicContact CB-CD2 4.48Å; I311-L586 HydrophobicContact CG1-CB 4.44Å; I311-L586 HydrophobicContact CG1-CD2 4.26Å; I311-L586 HydrophobicContact CG1-CG 4.28Å; I311-L586 HydrophobicContact CG2-CD2 3.86Å; I311-A587 HydrophobicContact CD1-CB 4.01Å; I311-A587 HydrophobicContact CG1-CB 3.82Å
312	L	95.2	Very high	95.1	Very high	5 Å²	5	14.9 Å²	14.9	3%	0.026	9%	0.093	C	C	.	.	H	α-helix	trans	-57.4	-54.1	178.4	-178.2	63.6	0	0	0	110.7	I176 F308 S314 R315 M316 L338	I176-L312 HydrophobicContact CG1-CD2 4.07Å; I176-L312 HydrophobicContact CG1-CG 4.15Å; F308-L312 HydrophobicContact CD1-CB 4.49Å; F308-L312 HydrophobicContact CE1-CB 4.21Å; F308-L312 HydrophobicContact CE1-CD2 3.71Å; F308-L312 HydrophobicContact CE1-CG 4.44Å; F308-L312 HydrophobicContact CZ-CD2 4.26Å; F308-L312 VanDerWaalsContact O-CB 3.31Å; F308-L312 WeakPolarHBondContact O-CB 3.49Å; F308-L312 PolarHBondContact O-N 3.31Å; L312-S314 VanDerWaalsContact C-N 3.31Å; L312-S314 PolarHBondContact O-N 2.88Å; L312-R315 PolarHBondContact O-N 3.34Å; L312-M316 HydrophobicContact CD1-CE 3.61Å; L312-M316 HydrophobicContact CD1-CG 4.19Å; L312-M316 HydrophobicContact CD1-SD 3.86Å; L312-M316 HydrophobicContact CD2-CE 4.43Å; L312-M316 HydrophobicContact CD2-SD 4.43Å; L312-M316 HydrophobicContact CG-CE 4.12Å; L312-M316 HydrophobicContact CG-SD 3.84Å; L312-M316 WeakPolarHBondContact O-CB 3.38Å; L312-M316 WeakPolarHBondContact O-CG 3.25Å; L312-M316 PolarHBondContact O-N 2.95Å; L312-L338 HydrophobicContact CD1-CB 4.14Å; L312-L338 HydrophobicContact CD1-CD1 4.04Å; L312-L338 HydrophobicContact CD1-CD2 4Å; L312-L338 HydrophobicContact CD1-CG 4.29Å
313	G	95.2	Very high	95.1	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-58.2	-43.2	177.1	0	0	0	0	0	112	A33 D309 R315 G317	A33-G313 VanDerWaalsContact CA-O 3.24Å; A33-G313 WeakPolarHBondContact CA-O 3.33Å; D309-G313 PolarHBondContact O-N 2.87Å; G313-R315 PolarHBondContact O-N 2.92Å; G313-G317 PolarHBondContact O-N 2.9Å
314	S	94.7	Very high	95.2	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-63.1	-43.8	178.3	-61	0	0	0	0	112.6	A36 R310 I311 L312 V318	A36-S314 WeakPolarHBondContact CB-O 3.39Å; R310-S314 VanDerWaalsContact O-CB 3.3Å; R310-S314 WeakPolarHBondContact O-CB 3.43Å; R310-S314 PolarHBondContact O-N 2.95Å; R310-S314 PolarHBondContact O-OG 3.2Å; I311-S314 PolarHBondContact O-N 2.78Å; L312-S314 VanDerWaalsContact C-N 3.31Å; L312-S314 PolarHBondContact O-N 2.88Å; S314-V318 WeakPolarHBondContact O-CG2 3.38Å; S314-V318 PolarHBondContact O-N 3.4Å; S314-V318 VanDerWaalsContact O-N 3.1Å
315	R	93.7	Very high	95	Very high	32 Å²	32	8.6 Å²	8.6	12%	0.121	4%	0.042	C	C	.	.	H	α-helix	trans	-67.5	-46.4	179.5	-70.3	172.5	65.4	-166.3	0.3	111.7	I311 L312 G313 G317 V318 E319 N341 L745	I311-R315 HydrophobicContact CG2-CG 4.16Å; I311-R315 WeakPolarHBondContact O-CB 3.34Å; I311-R315 WeakPolarHBondContact O-CG 3.41Å; I311-R315 PolarHBondContact O-N 3.48Å; L312-R315 PolarHBondContact O-N 3.34Å; G313-R315 PolarHBondContact O-N 2.92Å; R315-G317 VanDerWaalsContact C-N 3.31Å; R315-G317 PolarHBondContact O-N 3.08Å; R315-V318 PolarHBondContact O-N 3.22Å; R315-E319 PolarHBondContact O-N 3.18Å; R315-E319 VanDerWaalsContact O-N 3.09Å; R315-N341 PolarHBondContact NH1-O 2.84Å; R315-N341 PolarHBondContact NH2-O 2.96Å; R315-L745 HydrophobicContact CG-CD2 4.43Å
316	M	94.4	Very high	94.6	Very high	2 Å²	2	11.2 Å²	11.2	1%	0.01	5%	0.054	C	C	.	.	H	α-helix	trans	-62.5	-39.1	177	-75.8	179.3	162.6	0	0	111.7	L161 I176 L312 E319 A320 V336 L338	L161-M316 HydrophobicContact CD1-CB 4.31Å; L161-M316 HydrophobicContact CD2-CB 3.84Å; I176-M316 HydrophobicContact CD1-SD 3.77Å; I176-M316 HydrophobicContact CG1-SD 3.74Å; L312-M316 HydrophobicContact CD1-CE 3.61Å; L312-M316 HydrophobicContact CD1-CG 4.19Å; L312-M316 HydrophobicContact CD1-SD 3.86Å; L312-M316 HydrophobicContact CD2-CE 4.43Å; L312-M316 HydrophobicContact CD2-SD 4.43Å; L312-M316 HydrophobicContact CG-CE 4.12Å; L312-M316 HydrophobicContact CG-SD 3.84Å; L312-M316 WeakPolarHBondContact O-CB 3.38Å; L312-M316 WeakPolarHBondContact O-CG 3.25Å; L312-M316 PolarHBondContact O-N 2.95Å; M316-E319 PolarHBondContact O-N 2.75Å; M316-A320 VanDerWaalsContact O-CB 3.29Å; M316-A320 WeakPolarHBondContact O-CB 3.35Å; M316-A320 PolarHBondContact O-N 2.89Å; M316-V336 HydrophobicContact CB-CG1 4.22Å; M316-V336 HydrophobicContact CG-CG1 4Å; M316-L338 HydrophobicContact CE-CB 3.99Å
317	G	95.2	Very high	94.1	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-66.2	-37.3	176.5	0	0	0	0	0	113.6	G313 R315 A320 V321	G313-G317 PolarHBondContact O-N 2.9Å; R315-G317 VanDerWaalsContact C-N 3.31Å; R315-G317 PolarHBondContact O-N 3.08Å; G317-A320 PolarHBondContact O-N 2.63Å; G317-V321 WeakPolarHBondContact O-CG2 3.48Å; G317-V321 PolarHBondContact O-N 2.93Å
318	V	93.4	Very high	93.6	Very high	13 Å²	13	14.3 Å²	14.3	8%	0.079	7%	0.074	C	C	.	.	H	α-helix	trans	-62.4	-50.6	173.5	174.9	0	0	0	0	110	A36 V40 S314 R315 A320 V321 M322 I748	A36-V318 HydrophobicContact CB-CG2 4.35Å; V40-V318 HydrophobicContact CG1-CG1 4.48Å; V40-V318 HydrophobicContact CG2-CB 4.18Å; V40-V318 HydrophobicContact CG2-CG1 4.24Å; V40-V318 HydrophobicContact CG2-CG2 3.64Å; S314-V318 WeakPolarHBondContact O-CG2 3.38Å; S314-V318 PolarHBondContact O-N 3.4Å; S314-V318 VanDerWaalsContact O-N 3.1Å; R315-V318 PolarHBondContact O-N 3.22Å; V318-A320 VanDerWaalsContact C-N 3.28Å; V318-A320 PolarHBondContact O-N 3.42Å; V318-V321 PolarHBondContact O-N 2.9Å; V318-M322 PolarHBondContact O-N 3.39Å; V318-I748 HydrophobicContact CG1-CG1 4.49Å; V318-I748 HydrophobicContact CG2-CG2 3.71Å
319	E	93.4	Very high	93.1	Very high	30 Å²	30	15.3 Å²	15.3	14%	0.14	9%	0.085	C	C	.	.	H	α-helix	trans	-63.2	-35.9	-179.8	-169.9	56.8	-139.6	0	0	112.1	R315 M316 V321 M322 A323 V336 A343 R345 A765	R315-E319 PolarHBondContact O-N 3.18Å; R315-E319 VanDerWaalsContact O-N 3.09Å; M316-E319 PolarHBondContact O-N 2.75Å; E319-V321 VanDerWaalsContact C-N 3.34Å; E319-V321 PolarHBondContact O-N 3.44Å; E319-M322 PolarHBondContact O-N 2.88Å; E319-A323 WeakPolarHBondContact O-CB 3.47Å; E319-A323 PolarHBondContact O-N 2.77Å; E319-V336 HydrophobicContact CB-CG1 3.88Å; E319-V336 HydrophobicContact CB-CG2 4.33Å; E319-V336 HydrophobicContact CG-CG1 3.82Å; E319-V336 HydrophobicContact CG-CG2 4.19Å; E319-A343 HydrophobicContact CG-CB 4.44Å; E319-R345 HydrophobicContact CG-CG 4.48Å; E319-R345 IonicContact OE1-CZ 2.69Å; E319-R345 IonicContact OE1-NE 2.9Å; E319-R345 PolarHBondContact OE1-NE 3.44Å; E319-R345 IonicContact OE1-NH2 2.96Å; E319-R345 PolarHBondContact OE1-NH2 2.77Å; E319-A765 WeakPolarHBondContact OE1-CB 3.14Å
320	A	95.4	Very high	92.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-63.9	-38.3	177	0	0	0	0	0	112.5	V159 L161 M316 G317 V318 A323 L324 V336	V159-A320 HydrophobicContact CB-CB 4.4Å; V159-A320 HydrophobicContact CG1-CB 3.64Å; L161-A320 HydrophobicContact CD1-CB 4.3Å; L161-A320 HydrophobicContact CD2-CB 4Å; L161-A320 HydrophobicContact CG-CB 4.34Å; M316-A320 VanDerWaalsContact O-CB 3.29Å; M316-A320 WeakPolarHBondContact O-CB 3.35Å; M316-A320 PolarHBondContact O-N 2.89Å; G317-A320 PolarHBondContact O-N 2.63Å; V318-A320 VanDerWaalsContact C-N 3.28Å; V318-A320 PolarHBondContact O-N 3.42Å; A320-A323 PolarHBondContact O-N 2.88Å; A320-L324 WeakPolarHBondContact O-CB 3.45Å; A320-L324 VanDerWaalsContact O-CG 3.27Å; A320-L324 WeakPolarHBondContact O-CG 3.44Å; A320-L324 PolarHBondContact O-N 3.21Å; A320-V336 HydrophobicContact CB-CG2 4.14Å
321	V	95.2	Very high	92	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-65.5	-45.3	174.9	173.7	0	0	0	0	110.4	I18 V37 V40 G317 V318 E319 A323 L324 L325	I18-V321 HydrophobicContact CD1-CG1 4.06Å; V37-V321 HydrophobicContact CB-CG2 4.19Å; V37-V321 HydrophobicContact CG1-CG2 3.98Å; V37-V321 HydrophobicContact CG2-CG2 4.36Å; V37-V321 WeakPolarHBondContact O-CG2 3.5Å; V40-V321 HydrophobicContact CB-CB 4.24Å; V40-V321 HydrophobicContact CB-CG1 4.32Å; V40-V321 HydrophobicContact CB-CG2 4.17Å; V40-V321 HydrophobicContact CG1-CB 3.89Å; V40-V321 HydrophobicContact CG1-CG1 3.77Å; V40-V321 HydrophobicContact CG1-CG2 4.37Å; G317-V321 WeakPolarHBondContact O-CG2 3.48Å; G317-V321 PolarHBondContact O-N 2.93Å; V318-V321 PolarHBondContact O-N 2.9Å; E319-V321 VanDerWaalsContact C-N 3.34Å; E319-V321 PolarHBondContact O-N 3.44Å; V321-A323 VanDerWaalsContact C-N 3.33Å; V321-A323 PolarHBondContact O-N 2.87Å; V321-L324 PolarHBondContact O-N 2.92Å; V321-L325 HydrophobicContact CG1-CD1 3.66Å; V321-L325 HydrophobicContact CG1-CG 4.08Å; V321-L325 WeakPolarHBondContact O-CB 3.44Å; V321-L325 VanDerWaalsContact O-CG 3.25Å; V321-L325 WeakPolarHBondContact O-CG 3.03Å; V321-L325 PolarHBondContact O-N 3.17Å
322	M	92.1	Very high	91.5	Very high	12 Å²	12	26.7 Å²	26.7	6%	0.059	15%	0.152	C	C	.	.	H	α-helix	trans	-58.9	-46.8	176.9	-61.5	-56.3	161.9	0	0	111.3	V40 T44 V318 E319 L324 L325 E326 L759	V40-M322 HydrophobicContact CG1-CE 3.74Å; T44-M322 HydrophobicContact CG2-CE 4.32Å; V318-M322 PolarHBondContact O-N 3.39Å; E319-M322 PolarHBondContact O-N 2.88Å; M322-L324 VanDerWaalsContact C-N 3.33Å; M322-L324 PolarHBondContact O-N 3.03Å; M322-L325 PolarHBondContact O-N 2.87Å; M322-E326 WeakPolarHBondContact O-CB 3.41Å; M322-E326 VanDerWaalsContact O-CG 3.27Å; M322-E326 WeakPolarHBondContact O-CG 3.42Å; M322-E326 PolarHBondContact O-N 3.14Å; M322-L759 HydrophobicContact CE-CD1 3.39Å; M322-L759 HydrophobicContact CE-CD2 3.37Å; M322-L759 HydrophobicContact CE-CG 4.04Å; M322-L759 HydrophobicContact SD-CD2 4.12Å
323	A	92.4	Very high	91.3	Very high	7 Å²	7	26.6 Å²	26.6	6%	0.058	15%	0.151	C	C	.	.	H	α-helix	trans	-59.7	-38.7	176.7	0	0	0	0	0	113.4	V159 E319 A320 V321 G327	V159-A323 HydrophobicContact CG2-CB 3.68Å; E319-A323 WeakPolarHBondContact O-CB 3.47Å; E319-A323 PolarHBondContact O-N 2.77Å; A320-A323 PolarHBondContact O-N 2.88Å; V321-A323 VanDerWaalsContact C-N 3.33Å; V321-A323 PolarHBondContact O-N 2.87Å; A323-G327 PolarHBondContact O-N 3.41Å; A323-G327 VanDerWaalsContact O-N 3.15Å
324	L	94.1	Very high	91.2	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-69.9	-41.9	176.2	-73.7	171.8	0	0	0	112.2	I18 N112 C114 N157 V159 A320 V321 M322 G327	I18-L324 HydrophobicContact CG2-CD1 3.86Å; N112-L324 HydrophobicContact CB-CB 4.17Å; N112-L324 HydrophobicContact CB-CD1 4.3Å; N112-L324 HydrophobicContact CB-CD2 4.06Å; N112-L324 HydrophobicContact CB-CG 4.4Å; N112-L324 PolarHBondContact OD1-O 3.42Å; N112-L324 VanDerWaalsContact OD1-O 3.08Å; C114-L324 HydrophobicContact CB-CD1 4.05Å; N157-L324 HydrophobicContact CB-CD2 3.96Å; N157-L324 PolarHBondContact ND2-O 3.01Å; V159-L324 HydrophobicContact CB-CD2 4.04Å; V159-L324 HydrophobicContact CB-CG 4.05Å; V159-L324 HydrophobicContact CG2-CD2 3.63Å; V159-L324 HydrophobicContact CG2-CG 3.66Å; A320-L324 WeakPolarHBondContact O-CB 3.45Å; A320-L324 VanDerWaalsContact O-CG 3.27Å; A320-L324 WeakPolarHBondContact O-CG 3.44Å; A320-L324 PolarHBondContact O-N 3.21Å; V321-L324 PolarHBondContact O-N 2.92Å; M322-L324 VanDerWaalsContact C-N 3.33Å; M322-L324 PolarHBondContact O-N 3.03Å; L324-G327 PolarHBondContact O-N 2.97Å
325	L	91.8	Very high	91.2	Very high	5 Å²	5	26.9 Å²	26.9	3%	0.026	15%	0.153	C	C	.	.	H	α-helix	trans	-71.9	-31.7	-178.3	-66.1	178.6	0	0	0	112.6	L12 K16 I18 T44 A46 V321 M322	L12-L325 HydrophobicContact CB-CD1 4.07Å; K16-L325 HydrophobicContact CB-CD2 4.38Å; K16-L325 HydrophobicContact CD-CD2 3.8Å; K16-L325 PolarHBondContact NZ-O 2.78Å; I18-L325 HydrophobicContact CD1-CD2 4.22Å; T44-L325 HydrophobicContact CG2-CD1 3.83Å; T44-L325 VanDerWaalsContact OG1-CD1 3.29Å; T44-L325 WeakPolarHBondContact OG1-CD1 3.22Å; A46-L325 HydrophobicContact CB-CD2 4.46Å; V321-L325 HydrophobicContact CG1-CD1 3.66Å; V321-L325 HydrophobicContact CG1-CG 4.08Å; V321-L325 WeakPolarHBondContact O-CB 3.44Å; V321-L325 VanDerWaalsContact O-CG 3.25Å; V321-L325 WeakPolarHBondContact O-CG 3.03Å; V321-L325 PolarHBondContact O-N 3.17Å; M322-L325 PolarHBondContact O-N 2.87Å
326	E	89.2	Confident	91.2	Very high	58 Å²	58	25.4 Å²	25.4	27%	0.271	15%	0.148	S	C	.	.	H	α-helix	trans	-82.2	-13.7	174.8	-67.3	166.8	-174.6	0	0	112.8	M322 T328 R345 H764	M322-E326 WeakPolarHBondContact O-CB 3.41Å; M322-E326 VanDerWaalsContact O-CG 3.27Å; M322-E326 WeakPolarHBondContact O-CG 3.42Å; M322-E326 PolarHBondContact O-N 3.14Å; E326-T328 PolarHBondContact O-N 3.41Å; E326-R345 IonicContact OE1-NH2 2.67Å; E326-R345 IonicContact OE2-CZ 3.99Å; E326-R345 VanDerWaalsContact OE2-CZ 3.27Å; E326-R345 IonicContact OE2-NH1 2.6Å; E326-R345 PolarHBondContact OE2-NH1 2.72Å; E326-R345 IonicContact OE2-NH2 3.22Å; E326-R345 PolarHBondContact OE2-NH2 2.87Å; E326-H764 IonicContact OE1-CE1 2.69Å; E326-H764 PolarHBondContact OE1-CE1 3.04Å; E326-H764 VanDerWaalsContact OE1-CE1 3.26Å; E326-H764 IonicContact OE1-ND1 3.59Å; E326-H764 PolarHBondContact OE1-ND1 2.99Å; E326-H764 IonicContact OE2-ND1 3.66Å
327	G	87.2	Confident	91	Very high	7 Å²	7	25.3 Å²	25.3	7%	0.072	15%	0.147	C	C	.	.			trans	-63.5	130.3	-173.9	0	0	0	0	0	114	N157 A323 L324	N157-G327 PolarHBondContact ND2-O 3.45Å; A323-G327 PolarHBondContact O-N 3.41Å; A323-G327 VanDerWaalsContact O-N 3.15Å; L324-G327 PolarHBondContact O-N 2.97Å
328	T	87.2	Confident	90.7	Very high	64 Å²	64	25.8 Å²	25.8	39%	0.393	15%	0.15	S	C	.	.			trans	-109.1	168.2	174.1	68.6	0	0	0	0	111	E326 D330 T331	E326-T328 PolarHBondContact O-N 3.41Å; T328-D330 PolarHBondContact O-N 2.8Å; T328-D330 VanDerWaalsContact O-N 3.15Å; T328-T331 PolarHBondContact N-OG1 3.34Å; T328-T331 VanDerWaalsContact O-CB 3.3Å; T328-T331 WeakPolarHBondContact O-CB 3.48Å; T328-T331 PolarHBondContact O-N 3.09Å; T328-T331 PolarHBondContact O-OG1 2.89Å; T328-T331 PolarHBondContact OG1-N 3.17Å; T328-T331 PolarHBondContact OG1-OG1 2.88Å
329	P	84.4	Confident	90.3	Very high	74 Å²	74	26.4 Å²	26.4	48%	0.481	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-35.7	175.2	-27.2	35.2	0	0	0	113.8	R129 Y155 T331	R129-P329 PolarHBondContact NH2-O 2.86Å; Y155-P329 HydrophobicContact CD1-CG 3.78Å; Y155-P329 HydrophobicContact CD2-CG 4.34Å; Y155-P329 HydrophobicContact CE1-CG 4.08Å; Y155-P329 HydrophobicContact CG-CB 4.38Å; Y155-P329 HydrophobicContact CG-CG 3.93Å; P329-T331 VanDerWaalsContact C-N 3.32Å
330	D	86	Confident	89.7	Confident	149 Å²	149	25.8 Å²	25.8	80%	0.797	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-11	-179.9	-56.3	-45.7	0	0	0	113.4	T328 P332	T328-D330 PolarHBondContact O-N 2.8Å; T328-D330 VanDerWaalsContact O-N 3.15Å; D330-P332 VanDerWaalsContact O-CD 3.31Å; D330-P332 WeakPolarHBondContact O-CD 3.25Å
331	T	85.3	Confident	88.9	Confident	48 Å²	48	26.3 Å²	26.3	29%	0.294	16%	0.159	S	C	.	.	S	Bend	trans	-75.2	113.5	-178.2	-59.6	0	0	0	0	109.8	R129 T328 P329	R129-T331 VanDerWaalsContact CZ-O 3.28Å; R129-T331 PolarHBondContact NH2-O 2.93Å; T328-T331 PolarHBondContact N-OG1 3.34Å; T328-T331 VanDerWaalsContact O-CB 3.3Å; T328-T331 WeakPolarHBondContact O-CB 3.48Å; T328-T331 PolarHBondContact O-N 3.09Å; T328-T331 PolarHBondContact O-OG1 2.89Å; T328-T331 PolarHBondContact OG1-N 3.17Å; T328-T331 PolarHBondContact OG1-OG1 2.88Å; P329-T331 VanDerWaalsContact C-N 3.32Å
332	P	86.7	Confident	88.2	Confident	54 Å²	54	30.9 Å²	30.9	35%	0.351	18%	0.181	S	C	.	.			trans	-63.6	157	-179.7	28.3	-35.3	0	0	0	111.4	D330 C334 L767	D330-P332 VanDerWaalsContact O-CD 3.31Å; D330-P332 WeakPolarHBondContact O-CD 3.25Å; P332-C334 PolarHBondContact O-N 3.49Å; P332-L767 HydrophobicContact CG-CD1 4.46Å; P332-L767 HydrophobicContact CG-CD2 3.73Å
333	A	90	Very high	87.9	Confident	3 Å²	3	31.5 Å²	31.5	3%	0.025	19%	0.187	C	C	.	.			trans	-56.1	127.1	169.7	0	0	0	0	0	109.3	I158 L348	I158-A333 HydrophobicContact CB-CB 4.45Å; A333-L348 HydrophobicContact CB-CB 4.26Å; A333-L348 WeakPolarHBondContact O-CB 3.33Å; A333-L348 PolarHBondContact O-N 2.62Å
334	C	92.9	Very high	87.7	Confident	6 Å²	6	31.6 Å²	31.6	4%	0.041	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	158.3	-178.9	76.4	0	0	0	0	111.3	V159 G160 P332 L346 L767	V159-C334 WeakPolarHBondContact CA-O 3.11Å; G160-C334 PolarHBondContact N-O 3.26Å; P332-C334 PolarHBondContact O-N 3.49Å; C334-L346 CarbonylContact C-O 3.56Å; C334-L346 WeakPolarHBondContact CA-O 3.22Å; C334-L346 WeakPolarHBondContact CB-O 3.24Å; C334-L767 HydrophobicContact CB-CD1 3.7Å
335	V	94.1	Very high	87.7	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.6	172.2	61.2	0	0	0	0	108.4	L122 G160 V162 F169 S337 L346 L348 C351	L122-V335 HydrophobicContact CD1-CG2 4.19Å; G160-V335 VanDerWaalsContact O-CA 3.3Å; G160-V335 WeakPolarHBondContact O-CA 3.37Å; G160-V335 WeakPolarHBondContact O-CG2 3.31Å; V162-V335 HydrophobicContact CG2-CG2 3.6Å; F169-V335 HydrophobicContact CE1-CG1 4.05Å; F169-V335 HydrophobicContact CE1-CG2 4.05Å; F169-V335 HydrophobicContact CZ-CG1 4.4Å; F169-V335 HydrophobicContact CZ-CG2 4.36Å; V335-S337 PolarHBondContact O-N 2.98Å; V335-L346 HydrophobicContact CG1-CB 4.01Å; V335-L346 PolarHBondContact N-O 3.23Å; V335-L346 PolarHBondContact O-N 3.2Å; V335-L348 HydrophobicContact CB-CD1 4.44Å; V335-C351 HydrophobicContact CG1-CB 4.24Å; V335-C351 VanDerWaalsContact CG1-SG 3.51Å
336	V	94.2	Very high	87.7	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	120.7	171.7	-173.6	0	0	0	0	108	V159 G160 L161 M316 E319 A320 A343 V344	V159-V336 HydrophobicContact CG1-CG2 3.75Å; G160-V336 PolarHBondContact O-N 3.37Å; L161-V336 HydrophobicContact CD2-CB 3.54Å; L161-V336 HydrophobicContact CD2-CG1 4.5Å; L161-V336 HydrophobicContact CD2-CG2 3.81Å; M316-V336 HydrophobicContact CB-CG1 4.22Å; M316-V336 HydrophobicContact CG-CG1 4Å; E319-V336 HydrophobicContact CB-CG1 3.88Å; E319-V336 HydrophobicContact CB-CG2 4.33Å; E319-V336 HydrophobicContact CG-CG1 3.82Å; E319-V336 HydrophobicContact CG-CG2 4.19Å; A320-V336 HydrophobicContact CB-CG2 4.14Å; V336-A343 HydrophobicContact CG1-CB 4.28Å; V336-V344 WeakPolarHBondContact CA-O 3.27Å
337	S	91.5	Very high	87.7	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	157.9	-175.5	-63.6	0	0	0	0	111	V335 A343 V344	V335-S337 PolarHBondContact O-N 2.98Å; S337-A343 WeakPolarHBondContact O-CA 3.47Å; S337-V344 PolarHBondContact N-O 3.05Å; S337-V344 PolarHBondContact O-N 3.26Å
338	L	89	Confident	87.9	Confident	11 Å²	11	30 Å²	30	6%	0.058	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	130.1	171.1	-172.7	70.9	0	0	0	109.7	T172 D173 M174 F308 L312 M316 G340	T172-L338 PolarHBondContact OG1-N 3.18Å; D173-L338 PolarHBondContact N-O 3.43Å; M174-L338 HydrophobicContact CB-CD2 4.09Å; F308-L338 HydrophobicContact CZ-CD2 3.9Å; L312-L338 HydrophobicContact CD1-CB 4.14Å; L312-L338 HydrophobicContact CD1-CD1 4.04Å; L312-L338 HydrophobicContact CD1-CD2 4Å; L312-L338 HydrophobicContact CD1-CG 4.29Å; M316-L338 HydrophobicContact CE-CB 3.99Å; L338-G340 WeakPolarHBondContact CG-O 3.46Å
339	S	84.5	Confident	87.7	Confident	25 Å²	25	30.6 Å²	30.6	18%	0.175	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	103.1	173.4	-171.9	0	0	0	0	108.9	D173 N341 Q342	D173-S339 WeakPolarHBondContact OD2-CA 3.26Å; S339-N341 PolarHBondContact O-N 2.92Å; S339-Q342 PolarHBondContact N-O 2.89Å; S339-Q342 PolarHBondContact O-N 3.42Å
340	G	81.2	Confident	88	Confident	17 Å²	17	29.8 Å²	29.8	18%	0.175	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	-117.4	-167.4	0	0	0	0	0	111.1	D173 L338 K715	D173-G340 PolarHBondContact OD2-N 2.77Å; L338-G340 WeakPolarHBondContact CG-O 3.46Å; G340-K715 WeakPolarHBondContact CA-O 3.43Å
341	N	77.4	Confident	88.1	Confident	12 Å²	12	22.7 Å²	22.7	6%	0.064	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100	6.5	175.9	63.6	-10	0	0	0	113.8	R315 S339 D537 F538 W741	R315-N341 PolarHBondContact NH1-O 2.84Å; R315-N341 PolarHBondContact NH2-O 2.96Å; S339-N341 PolarHBondContact O-N 2.92Å; N341-D537 PolarHBondContact ND2-OD2 3.45Å; N341-F538 HydrophobicContact CB-CE2 4.31Å; N341-W741 HydrophobicContact CB-CD2 4.42Å; N341-W741 HydrophobicContact CB-CE3 4.22Å; N341-W741 HydrophobicContact CB-CZ3 4.27Å
342	Q	80.3	Confident	88.2	Confident	96 Å²	96	20.5 Å²	20.5	45%	0.449	12%	0.116	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	143.5	-176.3	-68.1	180	-24.3	0	0	112.2	S339	S339-Q342 PolarHBondContact N-O 2.89Å; S339-Q342 PolarHBondContact O-N 3.42Å
343	A	85.9	Confident	88.3	Confident	24 Å²	24	22.3 Å²	22.3	20%	0.198	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	134	169.2	0	0	0	0	0	108.4	E319 V336 S337	E319-A343 HydrophobicContact CG-CB 4.44Å; V336-A343 HydrophobicContact CG1-CB 4.28Å; S337-A343 WeakPolarHBondContact O-CA 3.47Å
344	V	89.3	Confident	88.2	Confident	10 Å²	10	23 Å²	23	6%	0.061	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	155	-179.5	-61.6	0	0	0	0	110.5	V336 S337 L346	V336-V344 WeakPolarHBondContact CA-O 3.27Å; S337-V344 PolarHBondContact N-O 3.05Å; S337-V344 PolarHBondContact O-N 3.26Å; V344-L346 HydrophobicContact CG2-CD2 4.31Å; V344-L346 HydrophobicContact CG2-CG 4.38Å
345	R	93	Very high	88	Confident	24 Å²	24	23.2 Å²	23.2	9%	0.091	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	125.4	177.6	-56.3	177.8	-166.1	173.1	1.8	109.1	E319 E326 A765 L767 E768	E319-R345 HydrophobicContact CG-CG 4.48Å; E319-R345 IonicContact OE1-CZ 2.69Å; E319-R345 IonicContact OE1-NE 2.9Å; E319-R345 PolarHBondContact OE1-NE 3.44Å; E319-R345 IonicContact OE1-NH2 2.96Å; E319-R345 PolarHBondContact OE1-NH2 2.77Å; E326-R345 IonicContact OE1-NH2 2.67Å; E326-R345 IonicContact OE2-CZ 3.99Å; E326-R345 VanDerWaalsContact OE2-CZ 3.27Å; E326-R345 IonicContact OE2-NH1 2.6Å; E326-R345 PolarHBondContact OE2-NH1 2.72Å; E326-R345 IonicContact OE2-NH2 3.22Å; E326-R345 PolarHBondContact OE2-NH2 2.87Å; R345-A765 VanDerWaalsContact CD-O 3.27Å; R345-A765 WeakPolarHBondContact CD-O 3.38Å; R345-A765 HydrophobicContact CG-CB 4.01Å; R345-A765 PolarHBondContact NE-O 2.9Å; R345-L767 HydrophobicContact CB-CD1 4.48Å; R345-L767 WeakPolarHBondContact O-CA 3.23Å; R345-E768 PolarHBondContact O-N 2.67Å
346	L	91.5	Very high	87.8	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	148.4	177.3	-56.7	179.1	0	0	0	110.4	G171 C334 V335 V344 L348 E768 I770 K773	G171-L346 WeakPolarHBondContact O-CD1 3.29Å; C334-L346 CarbonylContact C-O 3.56Å; C334-L346 WeakPolarHBondContact CA-O 3.22Å; C334-L346 WeakPolarHBondContact CB-O 3.24Å; V335-L346 HydrophobicContact CG1-CB 4.01Å; V335-L346 PolarHBondContact N-O 3.23Å; V335-L346 PolarHBondContact O-N 3.2Å; V344-L346 HydrophobicContact CG2-CD2 4.31Å; V344-L346 HydrophobicContact CG2-CG 4.38Å; L346-L348 PolarHBondContact O-N 2.75Å; L346-E768 HydrophobicContact CD2-CB 3.85Å; L346-E768 WeakPolarHBondContact CD2-O 3.47Å; L346-I770 HydrophobicContact CD1-CG1 4.46Å; L346-K773 HydrophobicContact CD2-CD 4.48Å
347	P	90.8	Very high	87.7	Confident	11 Å²	11	30.6 Å²	30.6	7%	0.071	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	125.5	170.4	-21	31.1	0	0	0	110.5	M349 E350 C351 L767 E768	P347-M349 PolarHBondContact O-N 2.83Å; P347-E350 HydrophobicContact CB-CB 4.21Å; P347-E350 HydrophobicContact CB-CG 3.94Å; P347-E350 HydrophobicContact CG-CG 4.36Å; P347-E350 PolarHBondContact O-N 2.96Å; P347-C351 PolarHBondContact O-N 2.9Å; P347-C351 PolarHBondContact O-SG 3.01Å; P347-C351 VanDerWaalsContact O-SG 3.35Å; P347-L767 HydrophobicContact CG-CD2 3.97Å; P347-L767 HydrophobicContact CG-CG 4.16Å; P347-E768 WeakPolarHBondContact CD-O 3.25Å
348	L	89.7	Confident	87.6	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-64.2	-41.8	-172.7	179.6	140.6	0	0	0	111.6	L122 D126 A333 V335 L346 E350 C351 V352	L122-L348 HydrophobicContact CB-CD1 3.94Å; L122-L348 HydrophobicContact CB-CG 4.41Å; L122-L348 HydrophobicContact CD2-CD1 4.13Å; L122-L348 HydrophobicContact CG-CD1 4.42Å; L122-L348 WeakPolarHBondContact O-CD2 3.32Å; D126-L348 HydrophobicContact CB-CD2 3.63Å; A333-L348 HydrophobicContact CB-CB 4.26Å; A333-L348 WeakPolarHBondContact O-CB 3.33Å; A333-L348 PolarHBondContact O-N 2.62Å; V335-L348 HydrophobicContact CB-CD1 4.44Å; L346-L348 PolarHBondContact O-N 2.75Å; L348-E350 PolarHBondContact O-N 2.71Å; L348-C351 WeakPolarHBondContact O-CB 3.45Å; L348-C351 PolarHBondContact O-N 3.34Å; L348-V352 HydrophobicContact CD2-CG2 4.27Å; L348-V352 WeakPolarHBondContact O-CG2 3.36Å; L348-V352 PolarHBondContact O-N 3.37Å
349	M	84.8	Confident	87.6	Confident	78 Å²	78	32.8 Å²	32.8	38%	0.384	17%	0.173	S	C	.	.	H	α-helix	trans	-69	-30.4	-179.8	-74.6	-56.6	-69.5	0	0	114.2	D126 P347 C351 Q353	D126-M349 HydrophobicContact CB-CG 4.26Å; D126-M349 HydrophobicContact CB-SD 3.83Å; D126-M349 WeakPolarHBondContact OD1-CG 3.45Å; D126-M349 WeakPolarHBondContact OD2-CG 3.44Å; P347-M349 PolarHBondContact O-N 2.83Å; M349-C351 VanDerWaalsContact C-N 3.34Å; M349-Q353 VanDerWaalsContact O-CB 3.28Å; M349-Q353 WeakPolarHBondContact O-CB 3.37Å; M349-Q353 PolarHBondContact O-N 2.98Å
350	E	89.1	Confident	88	Confident	56 Å²	56	37.1 Å²	37.1	26%	0.262	19%	0.189	S	C	.	.	H	α-helix	trans	-64.2	-43.3	171.6	-69.9	-176.4	-166.8	0	0	110.8	P347 L348 Q353 V354 H769 I770	P347-E350 HydrophobicContact CB-CB 4.21Å; P347-E350 HydrophobicContact CB-CG 3.94Å; P347-E350 HydrophobicContact CG-CG 4.36Å; P347-E350 PolarHBondContact O-N 2.96Å; L348-E350 PolarHBondContact O-N 2.71Å; E350-Q353 PolarHBondContact O-N 2.96Å; E350-V354 VanDerWaalsContact O-CG2 3.31Å; E350-V354 WeakPolarHBondContact O-CG2 3.41Å; E350-V354 PolarHBondContact O-N 2.94Å; E350-H769 IonicContact OE1-CE1 3.53Å; E350-H769 PolarHBondContact OE1-CE1 2.95Å; E350-H769 IonicContact OE1-CG 3.95Å; E350-H769 IonicContact OE1-ND1 3.13Å; E350-H769 PolarHBondContact OE1-ND1 3.41Å; E350-H769 IonicContact OE2-ND1 3.63Å; E350-I770 VanDerWaalsContact C-CD1 3.45Å; E350-I770 HydrophobicContact CB-CD1 3.59Å; E350-I770 HydrophobicContact CB-CG1 4.09Å; E350-I770 PolarHBondContact OE2-N 3Å
351	C	88.8	Confident	88.6	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65.9	-43.7	-179.2	-61.3	0	0	0	0	111.3	F169 C170 V335 P347 L348 M349 T355 I770	F169-C351 HydrophobicContact CD1-CB 4.31Å; F169-C351 HydrophobicContact CE1-CB 3.33Å; F169-C351 HydrophobicContact CE2-CB 4.41Å; F169-C351 HydrophobicContact CZ-CB 3.39Å; C170-C351 VanDerWaalsContact O-CB 3.28Å; C170-C351 WeakPolarHBondContact O-CB 3.23Å; V335-C351 HydrophobicContact CG1-CB 4.24Å; V335-C351 VanDerWaalsContact CG1-SG 3.51Å; P347-C351 PolarHBondContact O-N 2.9Å; P347-C351 PolarHBondContact O-SG 3.01Å; P347-C351 VanDerWaalsContact O-SG 3.35Å; L348-C351 WeakPolarHBondContact O-CB 3.45Å; L348-C351 PolarHBondContact O-N 3.34Å; M349-C351 VanDerWaalsContact C-N 3.34Å; C351-T355 WeakPolarHBondContact O-CB 3.43Å; C351-T355 PolarHBondContact O-N 2.77Å; C351-T355 PolarHBondContact O-OG1 3.48Å; C351-I770 VanDerWaalsContact CA-CD1 3.49Å; C351-I770 HydrophobicContact CB-CD1 4.07Å; C351-I770 WeakPolarHBondContact SG-CD1 3.24Å
352	V	87.5	Confident	89.2	Confident	3 Å²	3	36.5 Å²	36.5	2%	0.018	18%	0.181	C	C	.	.	H	α-helix	trans	-62.9	-43.7	176.5	171.3	0	0	0	0	110.9	T123 F169 L348 T355 K356	T123-V352 WeakPolarHBondContact OG1-CG1 3.3Å; F169-V352 HydrophobicContact CE2-CG2 4.07Å; F169-V352 HydrophobicContact CZ-CG2 4.37Å; L348-V352 HydrophobicContact CD2-CG2 4.27Å; L348-V352 WeakPolarHBondContact O-CG2 3.36Å; L348-V352 PolarHBondContact O-N 3.37Å; V352-T355 WeakPolarHBondContact O-CB 3.22Å; V352-T355 PolarHBondContact O-N 3.45Å; V352-K356 HydrophobicContact CG1-CD 4.33Å; V352-K356 WeakPolarHBondContact O-CG 3.33Å; V352-K356 PolarHBondContact O-N 3.05Å
353	Q	88	Confident	89.7	Confident	91 Å²	91	37.8 Å²	37.8	43%	0.425	19%	0.191	S	C	.	.	H	α-helix	trans	-62.4	-48	179.6	-174.6	57.3	47.8	0	0	111.4	M349 E350 T355 K356 D357	M349-Q353 VanDerWaalsContact O-CB 3.28Å; M349-Q353 WeakPolarHBondContact O-CB 3.37Å; M349-Q353 PolarHBondContact O-N 2.98Å; E350-Q353 PolarHBondContact O-N 2.96Å; Q353-T355 PolarHBondContact O-N 2.84Å; Q353-K356 WeakPolarHBondContact O-CB 3.26Å; Q353-K356 PolarHBondContact O-N 2.97Å; Q353-K356 VanDerWaalsContact O-N 3.1Å; Q353-D357 PolarHBondContact NE2-OD1 2.88Å; Q353-D357 PolarHBondContact O-N 3.34Å
354	V	89.1	Confident	90.1	Very high	18 Å²	18	41 Å²	41	11%	0.109	20%	0.202	C	C	.	.	H	α-helix	trans	-60.9	-36.9	177.5	177.1	0	0	0	0	111.4	C170 E350 D357 V358 L373 I770	C170-V354 HydrophobicContact CB-CB 3.97Å; C170-V354 HydrophobicContact CB-CG1 3.52Å; E350-V354 VanDerWaalsContact O-CG2 3.31Å; E350-V354 WeakPolarHBondContact O-CG2 3.41Å; E350-V354 PolarHBondContact O-N 2.94Å; V354-D357 WeakPolarHBondContact O-CB 3.33Å; V354-D357 PolarHBondContact O-N 2.88Å; V354-V358 WeakPolarHBondContact O-CG2 3.38Å; V354-V358 PolarHBondContact O-N 2.68Å; V354-V358 VanDerWaalsContact O-N 3.14Å; V354-L373 HydrophobicContact CG1-CD2 4.41Å; V354-I770 HydrophobicContact CG2-CD1 4.4Å; V354-I770 HydrophobicContact CG2-CG2 4.46Å
355	T	89	Confident	90.2	Very high	10 Å²	10	45.7 Å²	45.7	6%	0.061	22%	0.222	C	C	.	.	H	α-helix	trans	-64.9	-39.8	176.2	-56	0	0	0	0	111.8	D168 C170 C351 V352 Q353 V358 T359	D168-T355 WeakPolarHBondContact O-CG2 3.46Å; C170-T355 PolarHBondContact N-OG1 2.93Å; C351-T355 WeakPolarHBondContact O-CB 3.43Å; C351-T355 PolarHBondContact O-N 2.77Å; C351-T355 PolarHBondContact O-OG1 3.48Å; V352-T355 WeakPolarHBondContact O-CB 3.22Å; V352-T355 PolarHBondContact O-N 3.45Å; Q353-T355 PolarHBondContact O-N 2.84Å; T355-V358 PolarHBondContact O-N 2.94Å; T355-T359 PolarHBondContact O-N 3.44Å
356	K	88.7	Confident	90.3	Very high	103 Å²	103	49.3 Å²	49.3	45%	0.448	24%	0.238	S	C	.	.	H	α-helix	trans	-66.1	-38.4	172.9	-71	176	-179.9	175.3	0	112	V352 Q353 V358 T359 K360	V352-K356 HydrophobicContact CG1-CD 4.33Å; V352-K356 WeakPolarHBondContact O-CG 3.33Å; V352-K356 PolarHBondContact O-N 3.05Å; Q353-K356 WeakPolarHBondContact O-CB 3.26Å; Q353-K356 PolarHBondContact O-N 2.97Å; Q353-K356 VanDerWaalsContact O-N 3.1Å; K356-V358 VanDerWaalsContact C-N 3.27Å; K356-V358 PolarHBondContact O-N 2.69Å; K356-T359 WeakPolarHBondContact O-CB 3.08Å; K356-T359 PolarHBondContact O-N 3.41Å; K356-T359 VanDerWaalsContact O-N 3.11Å; K356-K360 PolarHBondContact O-N 3.19Å
357	D	91.8	Very high	90.3	Very high	53 Å²	53	50.8 Å²	50.8	28%	0.283	24%	0.244	S	C	.	.	H	α-helix	trans	-62	-34.4	177.6	-62.2	-22.7	0	0	0	111.7	Q353 V354 K360 A361 L373	Q353-D357 PolarHBondContact NE2-OD1 2.88Å; Q353-D357 PolarHBondContact O-N 3.34Å; V354-D357 WeakPolarHBondContact O-CB 3.33Å; V354-D357 PolarHBondContact O-N 2.88Å; D357-K360 PolarHBondContact O-N 3.43Å; D357-A361 VanDerWaalsContact O-CB 3.32Å; D357-A361 WeakPolarHBondContact O-CB 3.41Å; D357-A361 PolarHBondContact O-N 3.11Å; D357-L373 HydrophobicContact CB-CD1 4.1Å
358	V	90.1	Very high	90.3	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.6	-47.7	172.3	177.8	0	0	0	0	111	V354 T355 K356 A361 M362 A370 L373 R374	V354-V358 WeakPolarHBondContact O-CG2 3.38Å; V354-V358 PolarHBondContact O-N 2.68Å; V354-V358 VanDerWaalsContact O-N 3.14Å; T355-V358 PolarHBondContact O-N 2.94Å; K356-V358 VanDerWaalsContact C-N 3.27Å; K356-V358 PolarHBondContact O-N 2.69Å; V358-A361 PolarHBondContact O-N 3.5Å; V358-M362 HydrophobicContact CG1-CE 4.1Å; V358-M362 HydrophobicContact CG1-SD 4.46Å; V358-M362 WeakPolarHBondContact O-CG 3.48Å; V358-M362 PolarHBondContact O-N 3.31Å; V358-A370 HydrophobicContact CG1-CB 4.37Å; V358-L373 HydrophobicContact CG2-CB 3.48Å; V358-L373 VanDerWaalsContact CG2-CB 3.48Å; V358-L373 HydrophobicContact CG2-CD1 4.19Å; V358-L373 HydrophobicContact CG2-CG 4.47Å; V358-R374 HydrophobicContact CG1-CG 4.49Å
359	T	89.8	Confident	90.5	Very high	57 Å²	57	60.5 Å²	60.5	35%	0.35	29%	0.293	S	S	.	.	H	α-helix	trans	-62.2	-47	-179.9	-54.1	0	0	0	0	110.3	T355 K356 A361 M362 D363	T355-T359 PolarHBondContact O-N 3.44Å; K356-T359 WeakPolarHBondContact O-CB 3.08Å; K356-T359 PolarHBondContact O-N 3.41Å; K356-T359 VanDerWaalsContact O-N 3.11Å; T359-A361 VanDerWaalsContact C-N 3.34Å; T359-A361 PolarHBondContact O-N 2.91Å; T359-M362 PolarHBondContact O-N 3.43Å; T359-M362 VanDerWaalsContact O-N 3.14Å; T359-D363 PolarHBondContact O-N 3.45Å
360	K	92.8	Very high	90.7	Very high	116 Å²	116	56.8 Å²	56.8	50%	0.504	28%	0.275	S	S	.	.	H	α-helix	trans	-57.6	-44.4	175	-177.7	-179.8	175	-177.6	0	112.3	K356 D357 M362 D363 E364	K356-K360 PolarHBondContact O-N 3.19Å; D357-K360 PolarHBondContact O-N 3.43Å; K360-M362 VanDerWaalsContact C-N 3.32Å; K360-M362 PolarHBondContact O-N 3.11Å; K360-D363 PolarHBondContact O-N 3.37Å; K360-E364 WeakPolarHBondContact CE-OE1 3.13Å; K360-E364 HydrophobicContact CG-CG 4.4Å; K360-E364 IonicContact NZ-OE1 2.91Å; K360-E364 WeakPolarHBondContact O-CB 3.5Å; K360-E364 WeakPolarHBondContact O-CG 3.23Å; K360-E364 PolarHBondContact O-N 2.93Å
361	A	93.1	Very high	90.8	Very high	3 Å²	3	55 Å²	55	3%	0.025	27%	0.267	C	S	.	.	H	α-helix	trans	-63	-38.3	177.9	0	0	0	0	0	112	D357 V358 T359 K365 K366 E369 A370 L373	D357-A361 VanDerWaalsContact O-CB 3.32Å; D357-A361 WeakPolarHBondContact O-CB 3.41Å; D357-A361 PolarHBondContact O-N 3.11Å; V358-A361 PolarHBondContact O-N 3.5Å; T359-A361 VanDerWaalsContact C-N 3.34Å; T359-A361 PolarHBondContact O-N 2.91Å; A361-K365 PolarHBondContact O-N 2.85Å; A361-K366 HydrophobicContact CB-CB 4.38Å; A361-K366 CarbonylContact O-C 3.53Å; A361-K366 WeakPolarHBondContact O-CA 3.34Å; A361-K366 PolarHBondContact O-N 3.18Å; A361-E369 HydrophobicContact CB-CB 4.39Å; A361-E369 HydrophobicContact CB-CG 4.44Å; A361-A370 HydrophobicContact CB-CB 4.04Å; A361-L373 HydrophobicContact CB-CD1 4.31Å
362	M	90.5	Very high	90.9	Very high	13 Å²	13	61.9 Å²	61.9	6%	0.064	30%	0.297	C	S	.	.	H	α-helix	trans	-67.1	-44	174.4	-67.4	-174.7	-58.7	0	0	112	H211 P231 E232 V358 T359 K360 E364 K365 A370	H211-M362 HydrophobicContact CB-CE 4.23Å; P231-M362 HydrophobicContact CB-SD 4.2Å; E232-M362 HydrophobicContact CG-SD 4.29Å; V358-M362 HydrophobicContact CG1-CE 4.1Å; V358-M362 HydrophobicContact CG1-SD 4.46Å; V358-M362 WeakPolarHBondContact O-CG 3.48Å; V358-M362 PolarHBondContact O-N 3.31Å; T359-M362 PolarHBondContact O-N 3.43Å; T359-M362 VanDerWaalsContact O-N 3.14Å; K360-M362 VanDerWaalsContact C-N 3.32Å; K360-M362 PolarHBondContact O-N 3.11Å; M362-E364 VanDerWaalsContact C-N 3.33Å; M362-E364 PolarHBondContact O-N 3.09Å; M362-K365 PolarHBondContact O-N 3.48Å; M362-A370 HydrophobicContact CG-CB 3.65Å
363	D	91	Very high	90.9	Very high	123 Å²	123	62.6 Å²	62.6	66%	0.658	30%	0.301	S	S	*	.	H	α-helix	trans	-63.4	-38.1	177.9	-66.8	-22.4	0	0	0	112.1	T359 K360 K365	T359-D363 PolarHBondContact O-N 3.45Å; K360-D363 PolarHBondContact O-N 3.37Å; D363-K365 PolarHBondContact O-N 3.2Å
364	E	93.8	Very high	90.9	Very high	92 Å²	92	60.1 Å²	60.1	43%	0.43	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	5.1	174.7	-68.2	-179.6	-177.9	0	0	113.4	K360 M362 K366	K360-E364 WeakPolarHBondContact CE-OE1 3.13Å; K360-E364 HydrophobicContact CG-CG 4.4Å; K360-E364 IonicContact NZ-OE1 2.91Å; K360-E364 WeakPolarHBondContact O-CB 3.5Å; K360-E364 WeakPolarHBondContact O-CG 3.23Å; K360-E364 PolarHBondContact O-N 2.93Å; M362-E364 VanDerWaalsContact C-N 3.33Å; M362-E364 PolarHBondContact O-N 3.09Å; E364-K366 HydrophobicContact CB-CD 4.31Å; E364-K366 HydrophobicContact CB-CG 4.29Å; E364-K366 PolarHBondContact O-N 3.38Å; E364-K366 WeakPolarHBondContact OE2-CE 3.43Å; E364-K366 IonicContact OE2-NZ 2.84Å; E364-K366 PolarHBondContact OE2-NZ 2.9Å
365	K	92.2	Very high	90.7	Very high	108 Å²	108	60.3 Å²	60.3	47%	0.47	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	24	-178.8	-54.3	177.2	176.9	-175.9	0	114.6	K269 A361 M362 D363 F367	K269-K365 WeakPolarHBondContact O-CD 3.43Å; K269-K365 WeakPolarHBondContact O-CE 3.11Å; A361-K365 PolarHBondContact O-N 2.85Å; M362-K365 PolarHBondContact O-N 3.48Å; D363-K365 PolarHBondContact O-N 3.2Å; K365-F367 VanDerWaalsContact C-N 3.34Å; K365-F367 HydrophobicContact CB-CE2 3.9Å; K365-F367 HydrophobicContact CB-CZ 4.04Å; K365-F367 HydrophobicContact CG-CE2 4.45Å; K365-F367 HydrophobicContact CG-CZ 4.23Å; K365-F367 WeakPolarHBondContact O-CD2 3.5Å; K365-F367 PolarHBondContact O-N 2.9Å
366	K	93.2	Very high	90.4	Very high	99 Å²	99	65.5 Å²	65.5	43%	0.43	31%	0.312	S	S	.	.			trans	-91.1	62.5	175.1	-63.1	176.5	-177	162.5	0	110.8	A361 E364 D368 E369 A370	A361-K366 HydrophobicContact CB-CB 4.38Å; A361-K366 CarbonylContact O-C 3.53Å; A361-K366 WeakPolarHBondContact O-CA 3.34Å; A361-K366 PolarHBondContact O-N 3.18Å; E364-K366 HydrophobicContact CB-CD 4.31Å; E364-K366 HydrophobicContact CB-CG 4.29Å; E364-K366 PolarHBondContact O-N 3.38Å; E364-K366 WeakPolarHBondContact OE2-CE 3.43Å; E364-K366 IonicContact OE2-NZ 2.84Å; E364-K366 PolarHBondContact OE2-NZ 2.9Å; K366-D368 PolarHBondContact O-N 2.97Å; K366-E369 HydrophobicContact CB-CB 4.13Å; K366-E369 WeakPolarHBondContact CD-OE2 3.26Å; K366-E369 WeakPolarHBondContact O-CB 3.09Å; K366-E369 PolarHBondContact O-N 3.1Å; K366-E369 VanDerWaalsContact O-N 3.09Å; K366-A370 PolarHBondContact O-N 3.44Å; K366-A370 VanDerWaalsContact O-N 3.09Å
367	F	92.4	Very high	90.2	Very high	31 Å²	31	62.7 Å²	62.7	14%	0.136	31%	0.305	C	S	.	.	H	α-helix	trans	-62.3	-37	-171.9	-57.3	-62.9	0	0	0	114.2	P234 I267 K365 E369 A370 L371	P234-F367 HydrophobicContact CG-CD1 3.75Å; P234-F367 HydrophobicContact CG-CD2 4.2Å; P234-F367 HydrophobicContact CG-CE1 3.49Å; P234-F367 VanDerWaalsContact CG-CE1 3.49Å; P234-F367 HydrophobicContact CG-CE2 3.95Å; P234-F367 HydrophobicContact CG-CG 4.12Å; P234-F367 HydrophobicContact CG-CZ 3.6Å; I267-F367 HydrophobicContact CD1-CE1 4.25Å; K365-F367 VanDerWaalsContact C-N 3.34Å; K365-F367 HydrophobicContact CB-CE2 3.9Å; K365-F367 HydrophobicContact CB-CZ 4.04Å; K365-F367 HydrophobicContact CG-CE2 4.45Å; K365-F367 HydrophobicContact CG-CZ 4.23Å; K365-F367 WeakPolarHBondContact O-CD2 3.5Å; K365-F367 PolarHBondContact O-N 2.9Å; F367-E369 VanDerWaalsContact C-N 3.25Å; F367-E369 PolarHBondContact O-N 3.13Å; F367-A370 PolarHBondContact O-N 3.38Å; F367-L371 PolarHBondContact O-N 2.83Å
368	D	91.5	Very high	90.1	Very high	123 Å²	123	60.4 Å²	60.4	66%	0.658	29%	0.293	S	S	*	.	H	α-helix	trans	-63.2	-32.7	175.8	-72.7	-30.8	0	0	0	112.5	K366 K372	K366-D368 PolarHBondContact O-N 2.97Å; D368-K372 VanDerWaalsContact O-CG 3.3Å; D368-K372 WeakPolarHBondContact O-CG 3.13Å; D368-K372 PolarHBondContact O-N 2.95Å
369	E	92.3	Very high	90.1	Very high	93 Å²	93	62.5 Å²	62.5	44%	0.435	30%	0.303	S	S	.	.	H	α-helix	trans	-72.4	-46	174.8	-171.8	177.2	172.1	0	0	110.5	A361 K366 F367 L371 K372 L373	A361-E369 HydrophobicContact CB-CB 4.39Å; A361-E369 HydrophobicContact CB-CG 4.44Å; K366-E369 HydrophobicContact CB-CB 4.13Å; K366-E369 WeakPolarHBondContact CD-OE2 3.26Å; K366-E369 WeakPolarHBondContact O-CB 3.09Å; K366-E369 PolarHBondContact O-N 3.1Å; K366-E369 VanDerWaalsContact O-N 3.09Å; F367-E369 VanDerWaalsContact C-N 3.25Å; F367-E369 PolarHBondContact O-N 3.13Å; E369-L371 VanDerWaalsContact C-N 3.29Å; E369-L371 PolarHBondContact O-N 2.9Å; E369-K372 PolarHBondContact O-N 3.2Å; E369-K372 VanDerWaalsContact O-N 3.12Å; E369-L373 HydrophobicContact CG-CD1 4.18Å; E369-L373 HydrophobicContact CG-CG 4.43Å; E369-L373 VanDerWaalsContact O-CG 3.29Å; E369-L373 WeakPolarHBondContact O-CG 3.4Å; E369-L373 PolarHBondContact O-N 3.2Å
370	A	91	Very high	90	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-55.4	-44	175.3	0	0	0	0	0	111.9	V358 A361 M362 K366 F367 K372 L373 R374	V358-A370 HydrophobicContact CG1-CB 4.37Å; A361-A370 HydrophobicContact CB-CB 4.04Å; M362-A370 HydrophobicContact CG-CB 3.65Å; K366-A370 PolarHBondContact O-N 3.44Å; K366-A370 VanDerWaalsContact O-N 3.09Å; F367-A370 PolarHBondContact O-N 3.38Å; A370-K372 PolarHBondContact O-N 2.88Å; A370-L373 PolarHBondContact O-N 3.37Å; A370-R374 PolarHBondContact O-N 3.23Å
371	L	90	Very high	90	Very high	20 Å²	20	57.8 Å²	57.8	11%	0.105	28%	0.281	C	S	.	.	H	α-helix	trans	-61.9	-43	177.2	-168.3	78.8	0	0	0	112.2	E232 F367 E369 L373 R374 F378 M379 W382	E232-L371 HydrophobicContact CB-CD1 4.32Å; F367-L371 PolarHBondContact O-N 2.83Å; E369-L371 VanDerWaalsContact C-N 3.29Å; E369-L371 PolarHBondContact O-N 2.9Å; L371-L373 VanDerWaalsContact C-N 3.34Å; L371-R374 PolarHBondContact O-N 3.38Å; L371-F378 HydrophobicContact CD1-CD1 3.49Å; L371-F378 VanDerWaalsContact CD1-CD1 3.49Å; L371-F378 HydrophobicContact CD1-CE1 3.48Å; L371-F378 VanDerWaalsContact CD1-CE1 3.48Å; L371-M379 HydrophobicContact CD2-CG 3.99Å; L371-M379 HydrophobicContact CG-CG 3.84Å; L371-W382 HydrophobicContact CD1-CB 4.49Å; L371-W382 HydrophobicContact CD1-CG 4.38Å
372	K	90.1	Very high	90	Very high	143 Å²	143	58.6 Å²	58.6	62%	0.622	28%	0.283	S	S	*	.	H	α-helix	trans	-64.8	-39	176.1	-73.2	170	-174.8	172.8	0	111.7	D368 E369 A370 G375 M379	D368-K372 VanDerWaalsContact O-CG 3.3Å; D368-K372 WeakPolarHBondContact O-CG 3.13Å; D368-K372 PolarHBondContact O-N 2.95Å; E369-K372 PolarHBondContact O-N 3.2Å; E369-K372 VanDerWaalsContact O-N 3.12Å; A370-K372 PolarHBondContact O-N 2.88Å; K372-G375 PolarHBondContact O-N 3.28Å; K372-G375 VanDerWaalsContact O-N 3.14Å; K372-M379 HydrophobicContact CB-SD 4.48Å; K372-M379 HydrophobicContact CG-SD 3.96Å
373	L	88.8	Confident	90	Very high	19 Å²	19	63.2 Å²	63.2	10%	0.099	31%	0.305	C	S	.	.	H	α-helix	trans	-67.2	-34.5	179.4	-70.4	173	0	0	0	112.7	V354 D357 V358 A361 E369 A370 L371 G375 R774	V354-L373 HydrophobicContact CG1-CD2 4.41Å; D357-L373 HydrophobicContact CB-CD1 4.1Å; V358-L373 HydrophobicContact CG2-CB 3.48Å; V358-L373 VanDerWaalsContact CG2-CB 3.48Å; V358-L373 HydrophobicContact CG2-CD1 4.19Å; V358-L373 HydrophobicContact CG2-CG 4.47Å; A361-L373 HydrophobicContact CB-CD1 4.31Å; E369-L373 HydrophobicContact CG-CD1 4.18Å; E369-L373 HydrophobicContact CG-CG 4.43Å; E369-L373 VanDerWaalsContact O-CG 3.29Å; E369-L373 WeakPolarHBondContact O-CG 3.4Å; E369-L373 PolarHBondContact O-N 3.2Å; A370-L373 PolarHBondContact O-N 3.37Å; L371-L373 VanDerWaalsContact C-N 3.34Å; L373-G375 PolarHBondContact O-N 3.48Å; L373-R774 VanDerWaalsContact CD2-NH2 3.28Å
374	R	88.3	Confident	90	Very high	38 Å²	38	58.3 Å²	58.3	14%	0.143	28%	0.279	C	S	.	.	H	α-helix	trans	-60.5	-24.9	170.8	-71.6	-66.1	-169.2	-153.5	-4.3	113.2	D168 H211 C212 E232 V358 A370 L371 F378	D168-R374 VanDerWaalsContact CA-NH1 3.35Å; D168-R374 PolarHBondContact O-NH1 2.67Å; H211-R374 PolarHBondContact O-NH2 2.9Å; C212-R374 VanDerWaalsContact SG-CZ 3.51Å; E232-R374 HydrophobicContact CG-CG 4.1Å; E232-R374 IonicContact OE1-CZ 3.71Å; E232-R374 IonicContact OE1-NE 3.01Å; E232-R374 PolarHBondContact OE1-NE 2.96Å; E232-R374 IonicContact OE1-NH2 2.68Å; E232-R374 PolarHBondContact OE1-NH2 3.12Å; V358-R374 HydrophobicContact CG1-CG 4.49Å; A370-R374 PolarHBondContact O-N 3.23Å; L371-R374 PolarHBondContact O-N 3.38Å; R374-F378 HydrophobicContact CB-CB 3.84Å; R374-F378 HydrophobicContact CB-CD1 4.4Å; R374-F378 HydrophobicContact CB-CD2 4.06Å; R374-F378 HydrophobicContact CB-CG 3.86Å; R374-F378 HydrophobicContact CG-CD2 4.21Å; R374-F378 HydrophobicContact CG-CE2 4.49Å; R374-F378 HydrophobicContact CG-CG 4.35Å
375	G	85.2	Confident	89.9	Confident	23 Å²	23	54.2 Å²	54.2	24%	0.237	26%	0.26	C	S	.	.			trans	100.6	173.4	172.3	0	0	0	0	0	114.9	K372 L373 S377 F378 M379	K372-G375 PolarHBondContact O-N 3.28Å; K372-G375 VanDerWaalsContact O-N 3.14Å; L373-G375 PolarHBondContact O-N 3.48Å; G375-S377 VanDerWaalsContact C-N 3.33Å; G375-S377 PolarHBondContact O-N 3.47Å; G375-F378 PolarHBondContact O-N 2.93Å; G375-M379 PolarHBondContact O-N 3.5Å
376	R	82.5	Confident	89.8	Confident	119 Å²	119	53.7 Å²	53.7	45%	0.449	26%	0.258	S	S	.	.	H	α-helix	trans	-63.1	-34.7	-169.4	-65.2	-178.8	179.1	-168.6	-3.8	113.7	M379 N380 E777	R376-M379 HydrophobicContact CB-CE 4.4Å; R376-M379 HydrophobicContact CG-CE 4.03Å; R376-M379 PolarHBondContact O-N 2.84Å; R376-N380 WeakPolarHBondContact O-CB 3.41Å; R376-N380 PolarHBondContact O-N 3.28Å; R376-N380 PolarHBondContact O-ND2 3.36Å; R376-E777 IonicContact CZ-OE1 2.71Å; R376-E777 IonicContact CZ-OE2 2.87Å; R376-E777 VanDerWaalsContact NH1-CD 3.28Å; R376-E777 IonicContact NH1-OE1 3.24Å; R376-E777 PolarHBondContact NH1-OE1 2.97Å; R376-E777 IonicContact NH1-OE2 3.91Å; R376-E777 PolarHBondContact NH1-OE2 2.92Å; R376-E777 IonicContact NH2-OE1 2.83Å; R376-E777 IonicContact NH2-OE2 3.28Å; R376-E777 PolarHBondContact NH2-OE2 3.27Å
377	S	83.7	Confident	89.5	Confident	44 Å²	44	51.7 Å²	51.7	31%	0.308	25%	0.251	S	S	.	.	H	α-helix	trans	-63	-44.7	179.4	-171.4	0	0	0	0	111.5	G375 N380 N381	G375-S377 VanDerWaalsContact C-N 3.33Å; G375-S377 PolarHBondContact O-N 3.47Å; S377-N380 PolarHBondContact O-N 2.71Å; S377-N381 VanDerWaalsContact O-CG 3.29Å; S377-N381 PolarHBondContact O-N 3.33Å; S377-N381 VanDerWaalsContact O-N 3.09Å; S377-N381 PolarHBondContact O-OD1 2.94Å
378	F	90.1	Very high	89.1	Confident	5 Å²	5	50.8 Å²	50.8	2%	0.022	25%	0.248	C	C	.	.	H	α-helix	trans	-63	-49.5	176.4	-164.7	-71.4	0	0	0	111	Y214 L217 I230 E232 L371 R374 G375 N380 N381 W382	Y214-F378 AromaticContact CD2-CD2 3.86Å; Y214-F378 HydrophobicContact CD2-CD2 3.86Å; Y214-F378 HydrophobicContact CD2-CE2 4.35Å; L217-F378 HydrophobicContact CD2-CD1 4.03Å; L217-F378 HydrophobicContact CD2-CE1 3.76Å; L217-F378 HydrophobicContact CD2-CE2 4.44Å; L217-F378 HydrophobicContact CD2-CG 4.47Å; L217-F378 HydrophobicContact CD2-CZ 3.98Å; I230-F378 HydrophobicContact CD1-CE1 4.07Å; I230-F378 HydrophobicContact CD1-CZ 4.09Å; E232-F378 HydrophobicContact CB-CE1 4.17Å; E232-F378 HydrophobicContact CB-CZ 4.18Å; E232-F378 HydrophobicContact CG-CE1 4.33Å; E232-F378 HydrophobicContact CG-CZ 3.99Å; L371-F378 HydrophobicContact CD1-CD1 3.49Å; L371-F378 VanDerWaalsContact CD1-CD1 3.49Å; L371-F378 HydrophobicContact CD1-CE1 3.48Å; L371-F378 VanDerWaalsContact CD1-CE1 3.48Å; R374-F378 HydrophobicContact CB-CB 3.84Å; R374-F378 HydrophobicContact CB-CD1 4.4Å; R374-F378 HydrophobicContact CB-CD2 4.06Å; R374-F378 HydrophobicContact CB-CG 3.86Å; R374-F378 HydrophobicContact CG-CD2 4.21Å; R374-F378 HydrophobicContact CG-CE2 4.49Å; R374-F378 HydrophobicContact CG-CG 4.35Å; G375-F378 PolarHBondContact O-N 2.93Å; F378-N380 PolarHBondContact O-N 3.22Å; F378-N381 PolarHBondContact O-N 2.93Å; F378-W382 PolarHBondContact O-N 3.03Å
379	M	90.1	Very high	88.6	Confident	43 Å²	43	45.2 Å²	45.2	21%	0.212	22%	0.219	C	C	.	.	H	α-helix	trans	-56.1	-47.8	176.9	-73.1	-171.5	-64.4	0	0	112.2	L371 K372 G375 R376 N381 W382 E383	L371-M379 HydrophobicContact CD2-CG 3.99Å; L371-M379 HydrophobicContact CG-CG 3.84Å; K372-M379 HydrophobicContact CB-SD 4.48Å; K372-M379 HydrophobicContact CG-SD 3.96Å; G375-M379 PolarHBondContact O-N 3.5Å; R376-M379 HydrophobicContact CB-CE 4.4Å; R376-M379 HydrophobicContact CG-CE 4.03Å; R376-M379 PolarHBondContact O-N 2.84Å; M379-N381 VanDerWaalsContact C-N 3.31Å; M379-N381 PolarHBondContact O-N 3.43Å; M379-W382 WeakPolarHBondContact O-CB 3.36Å; M379-W382 PolarHBondContact O-N 2.93Å; M379-W382 VanDerWaalsContact O-N 3.09Å; M379-E383 WeakPolarHBondContact O-CG 3.32Å; M379-E383 PolarHBondContact O-N 2.56Å
380	N	88.4	Confident	87.7	Confident	74 Å²	74	44.7 Å²	44.7	40%	0.396	22%	0.216	S	C	.	.	H	α-helix	trans	-60.8	-40	178.6	-73.1	-24.9	0	0	0	112.1	R376 S377 F378 W382 V384	R376-N380 WeakPolarHBondContact O-CB 3.41Å; R376-N380 PolarHBondContact O-N 3.28Å; R376-N380 PolarHBondContact O-ND2 3.36Å; S377-N380 PolarHBondContact O-N 2.71Å; F378-N380 PolarHBondContact O-N 3.22Å; N380-W382 VanDerWaalsContact C-N 3.34Å; N380-V384 VanDerWaalsContact O-CG2 3.26Å; N380-V384 WeakPolarHBondContact O-CG2 3.21Å; N380-V384 PolarHBondContact O-N 2.85Å; N380-V384 VanDerWaalsContact O-N 3.1Å
381	N	92.2	Very high	86.8	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.5	-42.2	175.4	-68.8	-10.2	0	0	0	110.7	L217 L221 S377 F378 M379 V384 Y385 K678	L217-N381 HydrophobicContact CD2-CB 3.76Å; L217-N381 HydrophobicContact CG-CB 4Å; L221-N381 HydrophobicContact CD1-CB 3.77Å; S377-N381 VanDerWaalsContact O-CG 3.29Å; S377-N381 PolarHBondContact O-N 3.33Å; S377-N381 VanDerWaalsContact O-N 3.09Å; S377-N381 PolarHBondContact O-OD1 2.94Å; F378-N381 PolarHBondContact O-N 2.93Å; M379-N381 VanDerWaalsContact C-N 3.31Å; M379-N381 PolarHBondContact O-N 3.43Å; N381-V384 PolarHBondContact O-N 3.43Å; N381-Y385 WeakPolarHBondContact O-CB 3.44Å; N381-Y385 PolarHBondContact O-N 3.34Å; N381-K678 WeakPolarHBondContact OD1-CD 3.36Å; N381-K678 WeakPolarHBondContact OD1-CE 3.47Å; N381-K678 PolarHBondContact OD1-NZ 3.35Å
382	W	92.8	Very high	85.9	Confident	21 Å²	21	52.2 Å²	52.2	8%	0.08	25%	0.25	C	C	.	.	H	α-helix	trans	-63.7	-44.3	178.9	-179.5	-122.7	0	0	0	112.6	L217 V228 I230 C233 L371 F378 M379 N380 Y385 K386	L217-W382 HydrophobicContact CD1-CE3 3.9Å; L217-W382 HydrophobicContact CD2-CB 4.12Å; V228-W382 HydrophobicContact CG1-CZ3 3.93Å; I230-W382 HydrophobicContact CD1-CD2 4.26Å; I230-W382 HydrophobicContact CD1-CE3 3.61Å; I230-W382 HydrophobicContact CD1-CH2 4.18Å; I230-W382 HydrophobicContact CD1-CZ3 3.56Å; I230-W382 HydrophobicContact CG1-CH2 4.34Å; I230-W382 HydrophobicContact CG1-CZ3 4.02Å; C233-W382 HydrophobicContact CB-CH2 3.67Å; C233-W382 HydrophobicContact CB-CZ2 3.22Å; C233-W382 HydrophobicContact CB-CZ3 4.44Å; C233-W382 PolarHBondContact SG-NE1 3.28Å; L371-W382 HydrophobicContact CD1-CB 4.49Å; L371-W382 HydrophobicContact CD1-CG 4.38Å; F378-W382 PolarHBondContact O-N 3.03Å; M379-W382 WeakPolarHBondContact O-CB 3.36Å; M379-W382 PolarHBondContact O-N 2.93Å; M379-W382 VanDerWaalsContact O-N 3.09Å; N380-W382 VanDerWaalsContact C-N 3.34Å; W382-Y385 AromaticContact CE3-CD1 3.78Å; W382-Y385 HydrophobicContact CE3-CD1 3.78Å; W382-Y385 HydrophobicContact CE3-CE1 4.42Å; W382-Y385 HydrophobicContact CH2-CD1 4.37Å; W382-Y385 HydrophobicContact CH2-CE1 4.29Å; W382-Y385 AromaticContact CZ3-CD1 3.58Å; W382-Y385 HydrophobicContact CZ3-CD1 3.58Å; W382-Y385 AromaticContact CZ3-CE1 3.76Å; W382-Y385 HydrophobicContact CZ3-CE1 3.76Å; W382-Y385 PolarHBondContact O-N 3.09Å; W382-K386 HydrophobicContact CD2-CD 4.49Å; W382-K386 HydrophobicContact CD2-CG 4.37Å; W382-K386 HydrophobicContact CZ2-CD 4.22Å; W382-K386 HydrophobicContact CZ2-CG 4.23Å; W382-K386 WeakPolarHBondContact O-CB 3.32Å; W382-K386 PolarHBondContact O-N 3.18Å
383	E	91.1	Very high	85.1	Confident	110 Å²	110	47 Å²	47	51%	0.514	23%	0.23	S	C	.	.	H	α-helix	trans	-62.4	-46.8	176.6	-72.6	174.5	-177.6	0	0	111.9	M379 Y385 K386 L387	M379-E383 WeakPolarHBondContact O-CG 3.32Å; M379-E383 PolarHBondContact O-N 2.56Å; E383-Y385 VanDerWaalsContact C-N 3.31Å; E383-Y385 PolarHBondContact O-N 3.23Å; E383-K386 PolarHBondContact O-N 3.1Å; E383-L387 VanDerWaalsContact O-CG 3.32Å; E383-L387 WeakPolarHBondContact O-CG 3.26Å; E383-L387 PolarHBondContact O-N 3.34Å
384	V	89.9	Confident	84.2	Confident	20 Å²	20	49.1 Å²	49.1	12%	0.121	25%	0.245	C	C	.	.	H	α-helix	trans	-62.3	-41.1	177	172.8	0	0	0	0	110.9	L221 N380 N381 L387 L388 T677 K678 A681	L221-V384 HydrophobicContact CD2-CB 4.4Å; L221-V384 HydrophobicContact CD2-CG1 3.89Å; N380-V384 VanDerWaalsContact O-CG2 3.26Å; N380-V384 WeakPolarHBondContact O-CG2 3.21Å; N380-V384 PolarHBondContact O-N 2.85Å; N380-V384 VanDerWaalsContact O-N 3.1Å; N381-V384 PolarHBondContact O-N 3.43Å; V384-L387 PolarHBondContact O-N 2.81Å; V384-L388 HydrophobicContact CG1-CD1 3.87Å; V384-L388 WeakPolarHBondContact O-CG 3.43Å; V384-L388 PolarHBondContact O-N 2.88Å; V384-T677 HydrophobicContact CG1-CG2 4.27Å; V384-K678 HydrophobicContact CG2-CG 4.5Å; V384-A681 HydrophobicContact CG1-CB 4.21Å; V384-A681 HydrophobicContact CG2-CB 4.44Å
385	Y	92	Very high	83	Confident	5 Å²	5	54.4 Å²	54.4	2%	0.02	28%	0.281	C	S	.	.	H	α-helix	trans	-63	-48	175.7	168.7	-98.9	0	0	0	111.3	L217 S220 W227 V228 N381 W382 E383 L387 L388 A389 H390	L217-Y385 HydrophobicContact CD1-CD1 4.37Å; L217-Y385 HydrophobicContact CD1-CG 4.05Å; S220-Y385 VanDerWaalsContact OG-CD2 3.26Å; S220-Y385 WeakPolarHBondContact OG-CD2 3.4Å; W227-Y385 VanDerWaalsContact C-OH 3.32Å; W227-Y385 VanDerWaalsContact CA-OH 3.23Å; W227-Y385 WeakPolarHBondContact CA-OH 3.38Å; V228-Y385 HydrophobicContact CB-CE1 4.35Å; V228-Y385 HydrophobicContact CB-CE2 4.2Å; V228-Y385 HydrophobicContact CG1-CD1 3.87Å; V228-Y385 HydrophobicContact CG1-CD2 4.39Å; V228-Y385 HydrophobicContact CG1-CE1 3.26Å; V228-Y385 HydrophobicContact CG1-CE2 3.86Å; V228-Y385 HydrophobicContact CG1-CG 4.4Å; V228-Y385 PolarHBondContact N-OH 3.35Å; N381-Y385 WeakPolarHBondContact O-CB 3.44Å; N381-Y385 PolarHBondContact O-N 3.34Å; W382-Y385 AromaticContact CE3-CD1 3.78Å; W382-Y385 HydrophobicContact CE3-CD1 3.78Å; W382-Y385 HydrophobicContact CE3-CE1 4.42Å; W382-Y385 HydrophobicContact CH2-CD1 4.37Å; W382-Y385 HydrophobicContact CH2-CE1 4.29Å; W382-Y385 AromaticContact CZ3-CD1 3.58Å; W382-Y385 HydrophobicContact CZ3-CD1 3.58Å; W382-Y385 AromaticContact CZ3-CE1 3.76Å; W382-Y385 HydrophobicContact CZ3-CE1 3.76Å; W382-Y385 PolarHBondContact O-N 3.09Å; E383-Y385 VanDerWaalsContact C-N 3.31Å; E383-Y385 PolarHBondContact O-N 3.23Å; Y385-L387 VanDerWaalsContact C-N 3.32Å; Y385-L387 PolarHBondContact O-N 3.1Å; Y385-L388 PolarHBondContact O-N 3.35Å; Y385-A389 HydrophobicContact CD2-CB 4.12Å; Y385-A389 HydrophobicContact CE1-CB 4.23Å; Y385-A389 HydrophobicContact CE2-CB 3.59Å; Y385-A389 WeakPolarHBondContact O-CB 3.42Å; Y385-A389 PolarHBondContact O-N 2.92Å; Y385-H390 AromaticContact CE1-CE1 3.56Å; Y385-H390 AromaticContact CZ-CE1 3.97Å
386	K	89.9	Confident	81.9	Confident	98 Å²	98	57.5 Å²	57.5	43%	0.426	30%	0.299	S	S	.	.	H	α-helix	trans	-54.5	-47.8	175.8	-85.1	-177.2	159.7	175	0	111.5	W382 E383 L388 H390	W382-K386 HydrophobicContact CD2-CD 4.49Å; W382-K386 HydrophobicContact CD2-CG 4.37Å; W382-K386 HydrophobicContact CZ2-CD 4.22Å; W382-K386 HydrophobicContact CZ2-CG 4.23Å; W382-K386 WeakPolarHBondContact O-CB 3.32Å; W382-K386 PolarHBondContact O-N 3.18Å; E383-K386 PolarHBondContact O-N 3.1Å; K386-L388 PolarHBondContact O-N 3.21Å; K386-H390 WeakPolarHBondContact O-CB 3.31Å; K386-H390 PolarHBondContact O-N 3.44Å
387	L	87.1	Confident	80.5	Confident	57 Å²	57	61.8 Å²	61.8	30%	0.298	32%	0.321	S	S	.	.	H	α-helix	trans	-58.4	-49.6	177.7	-72.1	171	0	0	0	111.8	E383 V384 Y385 V391 I425 I428	E383-L387 VanDerWaalsContact O-CG 3.32Å; E383-L387 WeakPolarHBondContact O-CG 3.26Å; E383-L387 PolarHBondContact O-N 3.34Å; V384-L387 PolarHBondContact O-N 2.81Å; Y385-L387 VanDerWaalsContact C-N 3.32Å; Y385-L387 PolarHBondContact O-N 3.1Å; L387-V391 HydrophobicContact CD2-CG2 4.18Å; L387-V391 WeakPolarHBondContact O-CB 3.3Å; L387-I425 HydrophobicContact CB-CD1 3.95Å; L387-I428 VanDerWaalsContact O-CD1 3.22Å; L387-I428 WeakPolarHBondContact O-CD1 3.5Å
388	L	84.3	Confident	79.2	Confident	12 Å²	12	65 Å²	65	6%	0.063	34%	0.344	C	S	.	.	H	α-helix	trans	-74.5	-32.6	-176	-70.8	172.1	0	0	0	114	L221 V384 Y385 K386 R424 I425 T677	L221-L388 HydrophobicContact CD2-CD1 4.44Å; V384-L388 HydrophobicContact CG1-CD1 3.87Å; V384-L388 WeakPolarHBondContact O-CG 3.43Å; V384-L388 PolarHBondContact O-N 2.88Å; Y385-L388 PolarHBondContact O-N 3.35Å; K386-L388 PolarHBondContact O-N 3.21Å; L388-R424 HydrophobicContact CD2-CB 3.86Å; L388-I425 HydrophobicContact CD2-CD1 3.59Å; L388-I425 HydrophobicContact CD2-CG1 3.86Å; L388-I425 HydrophobicContact CG-CD1 4.03Å; L388-T677 HydrophobicContact CD1-CG2 3.59Å
389	A	80.4	Confident	77.7	Confident	6 Å²	6	66.5 Å²	66.5	5%	0.05	36%	0.361	C	S	.	.	H	α-helix	trans	-93.8	-40.5	-173.4	0	0	0	0	0	113.2	R246 Y385	R246-A389 PolarHBondContact NE-O 2.69Å; R246-A389 PolarHBondContact NH2-O 2.85Å; Y385-A389 HydrophobicContact CD2-CB 4.12Å; Y385-A389 HydrophobicContact CE1-CB 4.23Å; Y385-A389 HydrophobicContact CE2-CB 3.59Å; Y385-A389 WeakPolarHBondContact O-CB 3.42Å; Y385-A389 PolarHBondContact O-N 2.92Å
390	H	73.7	Confident	77.2	Confident	81 Å²	81	67.5 Å²	67.5	38%	0.375	37%	0.371	S	S	.	.	H	α-helix	trans	-102.8	-28.9	-169	-62	74.8	0	0	0	113.6	W227 Y385 K386	W227-H390 AromaticContact CH2-CD2 3.92Å; W227-H390 AromaticContact CH2-NE2 3.51Å; W227-H390 AromaticContact CZ2-NE2 3.87Å; W227-H390 AromaticContact CZ3-NE2 3.69Å; Y385-H390 AromaticContact CE1-CE1 3.56Å; Y385-H390 AromaticContact CZ-CE1 3.97Å; K386-H390 WeakPolarHBondContact O-CB 3.31Å; K386-H390 PolarHBondContact O-N 3.44Å
391	V	71.6	Confident	77.2	Confident	57 Å²	57	65 Å²	65	35%	0.345	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-82.6	129	-176.3	-167.7	0	0	0	0	110.2	L387 I428	L387-V391 HydrophobicContact CD2-CG2 4.18Å; L387-V391 WeakPolarHBondContact O-CB 3.3Å; V391-I428 HydrophobicContact CB-CG2 3.86Å; V391-I428 HydrophobicContact CG1-CG2 3.43Å; V391-I428 VanDerWaalsContact CG1-CG2 3.43Å
392	R	72.6	Confident	77.4	Confident	122 Å²	122	65.6 Å²	65.6	46%	0.46	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-90	141.3	177.5	-66.1	-179.4	178.8	154.3	-6	109.9	R245 E249	R245-R392 VanDerWaalsContact CD-NH2 3.35Å; R245-R392 VanDerWaalsContact CZ-NH2 3.3Å; E249-R392 IonicContact OE1-CZ 3.55Å; E249-R392 VanDerWaalsContact OE1-CZ 3.29Å; E249-R392 IonicContact OE1-NE 2.69Å; E249-R392 PolarHBondContact OE1-NE 2.87Å; E249-R392 IonicContact OE1-NH2 3.27Å; E249-R392 PolarHBondContact OE1-NH2 3.45Å; E249-R392 IonicContact OE2-NE 3.91Å; E249-R392 PolarHBondContact OE2-NE 2.6Å
393	P	72	Confident	77.6	Confident	32 Å²	32	64.6 Å²	64.6	21%	0.208	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-54.9	141.9	162.5	-23.5	34.2	0	0	0	110.7	L427 I428 W453	P393-L427 HydrophobicContact CG-CB 4.44Å; P393-I428 HydrophobicContact CG-CG1 4.46Å; P393-W453 HydrophobicContact CG-CE3 3.76Å; P393-W453 HydrophobicContact CG-CZ3 3.89Å
394	P	70.5	Confident	77.9	Confident	65 Å²	65	59.3 Å²	59.3	42%	0.422	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-60.2	143.8	175.4	23.8	-30.6	0	0	0	110.5	S396 L427 I428 G430	P394-S396 VanDerWaalsContact C-N 3.33Å; P394-L427 WeakPolarHBondContact CD-O 3.49Å; P394-I428 WeakPolarHBondContact CD-O 3.02Å; P394-G430 VanDerWaalsContact CG-CA 3.4Å
395	V	63.8	Low	78.3	Confident	149 Å²	149	58.4 Å²	58.4	90%	0.903	33%	0.327	S	S	*	.	S	Bend	trans	-72.9	-28.7	-177.8	-176.2	0	0	0	0	111.2
396	S	60.3	Low	78.6	Confident	87 Å²	87	58.1 Å²	58.1	61%	0.608	33%	0.326	S	S	*	.	S	Bend	trans	-80.2	127.4	177	56.5	0	0	0	0	111.3	P394 S398	P394-S396 VanDerWaalsContact C-N 3.33Å; S396-S398 VanDerWaalsContact C-N 3.26Å; S396-S398 PolarHBondContact O-N 2.88Å
397	K	54.5	Low	79	Confident	209 Å²	209	53.5 Å²	53.5	91%	0.909	31%	0.306	S	S	*	.			trans	-80.2	6.9	-178.9	-72.4	-171.3	177.8	-176.6	0	114.9	G399	K397-G399 PolarHBondContact O-N 2.82Å
398	S	55	Low	79.5	Confident	113 Å²	113	50.8 Å²	50.8	79%	0.79	29%	0.291	S	S	*	.			trans	-73.3	77.8	172.5	-66.9	0	0	0	0	108.3	S396 S400	S396-S398 VanDerWaalsContact C-N 3.26Å; S396-S398 PolarHBondContact O-N 2.88Å; S398-S400 PolarHBondContact O-N 3.44Å
399	G	59.9	Low	80.1	Confident	36 Å²	36	50.3 Å²	50.3	37%	0.371	29%	0.289	S	S	.	.			trans	-57.8	122.1	179.9	0	0	0	0	0	108.5	K397 H401 G430	K397-G399 PolarHBondContact O-N 2.82Å; G399-H401 PolarHBondContact O-N 3.31Å; G399-G430 CarbonylContact C-O 3.6Å; G399-G430 WeakPolarHBondContact CA-O 3.28Å
400	S	78.4	Confident	80.8	Confident	63 Å²	63	51.2 Å²	51.2	44%	0.441	30%	0.297	S	S	.	.	S	Bend	trans	-58.1	-42.3	-176.5	58.5	0	0	0	0	110.6	S398 G430 N431	S398-S400 PolarHBondContact O-N 3.44Å; S400-G430 PolarHBondContact N-O 3.23Å; S400-N431 PolarHBondContact OG-OD1 2.86Å
401	H	90	Very high	81.9	Confident	23 Å²	23	49.3 Å²	49.3	11%	0.106	29%	0.292	C	S	.	.			trans	-144.5	160.5	-178.5	-54.3	-66.9	0	0	0	112.7	G399 N431 R432 Q491 I691	G399-H401 PolarHBondContact O-N 3.31Å; H401-N431 CarbonylContact O-C 3.59Å; H401-N431 VanDerWaalsContact O-CA 3.3Å; H401-N431 WeakPolarHBondContact O-CA 3.46Å; H401-N431 WeakPolarHBondContact O-CB 3.17Å; H401-R432 PolarHBondContact O-N 2.93Å; H401-Q491 VanDerWaalsContact CB-OE1 3.23Å; H401-Q491 PolarHBondContact ND1-OE1 3.29Å; H401-I691 HydrophobicContact CB-CD1 4.36Å; H401-I691 HydrophobicContact CB-CG2 3.93Å; H401-I691 WeakPolarHBondContact ND1-CG2 3.35Å
402	T	95.1	Very high	83.1	Confident	11 Å²	11	46.6 Å²	46.6	7%	0.067	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	120.5	175.9	-59	0	0	0	0	111	R432 L434 N489 Q491 G492	T402-R432 CarbonylContact C-O 3.59Å; T402-R432 VanDerWaalsContact CA-O 3.29Å; T402-R432 WeakPolarHBondContact CA-O 3.43Å; T402-R432 HydrophobicContact CG2-CB 4.46Å; T402-R432 HydrophobicContact CG2-CG 4.47Å; T402-L434 HydrophobicContact CG2-CD1 3.57Å; T402-L434 HydrophobicContact CG2-CG 3.83Å; T402-N489 WeakPolarHBondContact CB-O 3.45Å; T402-Q491 WeakPolarHBondContact O-CA 3.35Å; T402-Q491 WeakPolarHBondContact O-CB 3.46Å; T402-Q491 PolarHBondContact O-N 3.16Å; T402-G492 PolarHBondContact O-N 3.44Å
403	V	97	Very high	84.1	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	132.8	-178.3	179.4	0	0	0	0	110.1	R432 V433 L434 G492 V494 M684 M687 I691	V403-R432 PolarHBondContact N-O 2.95Å; V403-V433 CarbonylContact O-C 3.55Å; V403-V433 WeakPolarHBondContact O-CA 3.45Å; V403-L434 PolarHBondContact O-N 3.13Å; V403-G492 WeakPolarHBondContact CA-O 3.37Å; V403-V494 HydrophobicContact CG1-CG2 4.21Å; V403-M684 HydrophobicContact CB-CE 4.19Å; V403-M684 HydrophobicContact CG1-CE 4.23Å; V403-M684 HydrophobicContact CG1-SD 4.08Å; V403-M684 HydrophobicContact CG2-CE 3.78Å; V403-M687 HydrophobicContact CG1-CG 3.99Å; V403-M687 HydrophobicContact CG2-CG 4.1Å; V403-I691 HydrophobicContact CG2-CD1 3.56Å
404	A	98	Very high	85.3	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	143.8	176.3	0	0	0	0	0	111.5	L434 V436 I490 G492 L493 V494	A404-L434 CarbonylContact C-O 3.54Å; A404-L434 VanDerWaalsContact CA-O 3.28Å; A404-L434 WeakPolarHBondContact CA-O 3.44Å; A404-L434 HydrophobicContact CB-CB 4.35Å; A404-V436 HydrophobicContact CB-CG2 4.09Å; A404-I490 HydrophobicContact CB-CD1 3.93Å; A404-I490 HydrophobicContact CB-CG1 4.18Å; A404-I490 HydrophobicContact CB-CG2 3.77Å; A404-G492 PolarHBondContact N-O 3.31Å; A404-L493 HydrophobicContact CB-CD1 3.89Å; A404-L493 CarbonylContact O-C 3.49Å; A404-L493 WeakPolarHBondContact O-CA 3.41Å; A404-V494 PolarHBondContact O-N 2.91Å
405	V	98.3	Very high	86.6	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	138.8	172.2	64.3	0	0	0	0	111	V419 T422 V423 V433 L434 V435 V436 V494 I496	V405-V419 HydrophobicContact CG1-CG1 4.2Å; V405-V419 HydrophobicContact CG2-CG2 4.28Å; V405-T422 HydrophobicContact CB-CG2 4.25Å; V405-T422 HydrophobicContact CG2-CG2 4.2Å; V405-V423 HydrophobicContact CG1-CG2 4.11Å; V405-V433 HydrophobicContact CG1-CG1 4.46Å; V405-L434 PolarHBondContact N-O 3.02Å; V405-V435 HydrophobicContact CG1-CB 4.46Å; V405-V435 HydrophobicContact CG1-CG1 3.69Å; V405-V435 WeakPolarHBondContact O-CA 3.25Å; V405-V436 PolarHBondContact O-N 3.5Å; V405-V494 VanDerWaalsContact CA-O 3.32Å; V405-V494 WeakPolarHBondContact CA-O 3.1Å; V405-V494 HydrophobicContact CB-CB 4.3Å; V405-V494 HydrophobicContact CG2-CB 4.1Å; V405-V494 HydrophobicContact CG2-CG1 4.17Å; V405-I496 HydrophobicContact CG2-CD1 3.8Å
406	M	98.2	Very high	88.2	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	156.8	-178.3	74.6	-179.6	169.8	0	0	113.1	V408 V436 F440 L443 L493 V494 I495 I496	M406-V408 HydrophobicContact CE-CG2 4.26Å; M406-V408 HydrophobicContact CG-CG2 4.2Å; M406-V408 HydrophobicContact SD-CG2 4.33Å; M406-V436 HydrophobicContact CB-CB 3.75Å; M406-V436 HydrophobicContact CB-CG2 4.25Å; M406-F440 HydrophobicContact CE-CD1 3.5Å; M406-F440 HydrophobicContact CE-CD2 4.5Å; M406-F440 HydrophobicContact CE-CE1 3.18Å; M406-F440 HydrophobicContact CE-CE2 4.24Å; M406-F440 HydrophobicContact CE-CG 4.19Å; M406-F440 HydrophobicContact CE-CZ 3.6Å; M406-F440 HydrophobicContact SD-CD1 4.3Å; M406-F440 HydrophobicContact SD-CE1 4.5Å; M406-L443 HydrophobicContact SD-CD2 4.4Å; M406-L493 HydrophobicContact CE-CD1 4.05Å; M406-L493 HydrophobicContact CE-CD2 3.77Å; M406-L493 HydrophobicContact CE-CG 4.19Å; M406-L493 HydrophobicContact CG-CD1 4.46Å; M406-L493 HydrophobicContact SD-CD1 4.29Å; M406-V494 PolarHBondContact N-O 3.32Å; M406-I495 HydrophobicContact CE-CB 4.36Å; M406-I495 HydrophobicContact CE-CD1 3.73Å; M406-I495 HydrophobicContact CE-CG1 3.75Å; M406-I495 HydrophobicContact CE-CG2 3.9Å; M406-I495 HydrophobicContact CG-CG2 4.26Å; M406-I496 PolarHBondContact O-N 2.95Å
407	N	98.4	Very high	89.9	Confident	0 Å²	0	25 Å²	25	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	136.4	175.2	-65.8	-12.6	0	0	0	111	M415 V419 G439 S465 T469 I496	N407-M415 HydrophobicContact CB-SD 4.45Å; N407-V419 WeakPolarHBondContact OD1-CG2 3.49Å; N407-G439 WeakPolarHBondContact O-CA 3.41Å; N407-S465 PolarHBondContact ND2-OG 2.92Å; N407-T469 PolarHBondContact O-OG1 3.35Å; N407-I496 CarbonylContact C-O 3.56Å; N407-I496 VanDerWaalsContact CA-O 3.22Å; N407-I496 WeakPolarHBondContact CA-O 3.28Å; N407-I496 WeakPolarHBondContact OD1-CB 3.15Å
408	V	98.1	Very high	91.9	Very high	0 Å²	0	15 Å²	15	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	136.7	-177.9	179.8	0	0	0	0	111.2	M406 F440 T469 I495 I496 G497 G498 E500 A501	M406-V408 HydrophobicContact CE-CG2 4.26Å; M406-V408 HydrophobicContact CG-CG2 4.2Å; M406-V408 HydrophobicContact SD-CG2 4.33Å; V408-F440 HydrophobicContact CB-CE2 4.44Å; V408-F440 HydrophobicContact CG1-CD2 3.95Å; V408-F440 HydrophobicContact CG1-CE2 3.9Å; V408-F440 HydrophobicContact CG2-CD2 3.82Å; V408-F440 HydrophobicContact CG2-CE2 3.81Å; V408-T469 VanDerWaalsContact C-OG1 3.26Å; V408-T469 WeakPolarHBondContact CA-OG1 3.32Å; V408-T469 PolarHBondContact N-OG1 2.94Å; V408-I495 HydrophobicContact CB-CG2 4.18Å; V408-I495 HydrophobicContact CG2-CG2 3.7Å; V408-I496 PolarHBondContact N-O 2.94Å; V408-G497 WeakPolarHBondContact O-CA 3.35Å; V408-G498 PolarHBondContact O-N 3.33Å; V408-E500 HydrophobicContact CG1-CB 3.94Å; V408-A501 HydrophobicContact CB-CB 3.97Å; V408-A501 HydrophobicContact CG1-CB 4.26Å
409	G	96.4	Very high	94	Very high	2 Å²	2	9.7 Å²	9.7	2%	0.021	7%	0.071	C	C	.	.	S	Bend	trans	101.3	-153.6	179.1	0	0	0	0	0	113.3	T469 K470	G409-T469 PolarHBondContact N-OG1 3.41Å; G409-T469 WeakPolarHBondContact O-CG2 3.13Å; G409-T469 PolarHBondContact O-OG1 3.48Å; G409-K470 PolarHBondContact N-O 2.86Å
410	A	95.6	Very high	95.7	Very high	26 Å²	26	8.3 Å²	8.3	22%	0.215	6%	0.055	C	C	.	.	S	Bend	trans	-77.1	148.5	174.6	0	0	0	0	0	110.9	M415	A410-M415 WeakPolarHBondContact O-CE 3.45Å
411	P	96.2	Very high	96.5	Very high	40 Å²	40	5.3 Å²	5.3	26%	0.26	3%	0.034	S	C	.	.			trans	-63.6	139.4	175.4	26.9	-33.9	0	0	0	111	T469	P411-T469 HydrophobicContact CB-CG2 4.12Å
412	A	96.4	Very high	96.8	Very high	1 Å²	1	4.2 Å²	4.2	1%	0.008	3%	0.029	C	C	.	.			trans	-133.9	139.2	176	0	0	0	0	0	109.7	G414 M415	A412-G414 PolarHBondContact O-N 3.45Å; A412-M415 HydrophobicContact CB-CE 4.01Å; A412-M415 HydrophobicContact CB-CG 4.29Å; A412-M415 HydrophobicContact CB-SD 4.42Å; A412-M415 PolarHBondContact N-SD 3.46Å; A412-M415 VanDerWaalsContact O-CG 3.31Å; A412-M415 WeakPolarHBondContact O-CG 3.35Å; A412-M415 PolarHBondContact O-N 3.21Å
413	A	95.1	Very high	96.8	Very high	1 Å²	1	3.7 Å²	3.7	1%	0.008	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	127.9	177.5	0	0	0	0	0	110.2	G541 T544 P668	A413-G541 WeakPolarHBondContact O-CA 3.49Å; A413-G541 PolarHBondContact O-N 2.95Å; A413-T544 HydrophobicContact CB-CG2 3.59Å; A413-P668 HydrophobicContact CB-CB 3.91Å
414	G	95.9	Very high	96.6	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.7	-13.4	-175.8	0	0	0	0	0	114.7	A412 N416 A417 A418 A676	A412-G414 PolarHBondContact O-N 3.45Å; G414-N416 VanDerWaalsContact C-N 3.27Å; G414-N416 PolarHBondContact O-N 2.92Å; G414-A417 WeakPolarHBondContact O-CB 3.48Å; G414-A417 PolarHBondContact O-N 2.63Å; G414-A418 PolarHBondContact O-N 3.12Å; G414-A676 VanDerWaalsContact O-CB 3.23Å; G414-A676 WeakPolarHBondContact O-CB 3.46Å
415	M	97.6	Very high	96.4	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-53.7	-44.7	172.9	-75.5	-177.6	165.9	0	0	112.1	N407 A410 A412 A417 A418 V419 I496 A527	N407-M415 HydrophobicContact CB-SD 4.45Å; A410-M415 WeakPolarHBondContact O-CE 3.45Å; A412-M415 HydrophobicContact CB-CE 4.01Å; A412-M415 HydrophobicContact CB-CG 4.29Å; A412-M415 HydrophobicContact CB-SD 4.42Å; A412-M415 PolarHBondContact N-SD 3.46Å; A412-M415 VanDerWaalsContact O-CG 3.31Å; A412-M415 WeakPolarHBondContact O-CG 3.35Å; A412-M415 PolarHBondContact O-N 3.21Å; M415-A417 VanDerWaalsContact C-N 3.29Å; M415-A417 PolarHBondContact O-N 2.87Å; M415-A418 PolarHBondContact O-N 3.45Å; M415-V419 WeakPolarHBondContact O-CG2 3.4Å; M415-V419 PolarHBondContact O-N 3.11Å; M415-I496 HydrophobicContact CB-CG2 4.37Å; M415-I496 HydrophobicContact CG-CG2 4.01Å; M415-A527 HydrophobicContact CE-CB 3.72Å; M415-A527 WeakPolarHBondContact CE-O 3.31Å; M415-A527 HydrophobicContact CG-CB 3.9Å
416	N	97.4	Very high	96.2	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-63.4	-33.5	178.1	-62	-36.3	0	0	0	112.9	G414 R420 W459 Q462 G463 G464 K466	G414-N416 VanDerWaalsContact C-N 3.27Å; G414-N416 PolarHBondContact O-N 2.92Å; N416-R420 VanDerWaalsContact O-CB 3.31Å; N416-R420 WeakPolarHBondContact O-CB 3.46Å; N416-R420 PolarHBondContact O-N 3.15Å; N416-W459 HydrophobicContact CB-CB 4.15Å; N416-W459 HydrophobicContact CB-CE3 4.29Å; N416-W459 WeakPolarHBondContact CB-O 3.46Å; N416-Q462 PolarHBondContact ND2-O 3.47Å; N416-G463 PolarHBondContact ND2-O 3.32Å; N416-G464 PolarHBondContact ND2-O 3.14Å; N416-K466 PolarHBondContact OD1-N 3.36Å
417	A	96.6	Very high	95.9	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-69.5	-39.6	175.7	0	0	0	0	0	111.7	G414 M415 R420 S421 T460 A676	G414-A417 WeakPolarHBondContact O-CB 3.48Å; G414-A417 PolarHBondContact O-N 2.63Å; M415-A417 VanDerWaalsContact C-N 3.29Å; M415-A417 PolarHBondContact O-N 2.87Å; A417-R420 PolarHBondContact O-N 3.12Å; A417-S421 WeakPolarHBondContact O-CB 3.41Å; A417-S421 PolarHBondContact O-N 3.42Å; A417-T460 HydrophobicContact CB-CG2 3.97Å; A417-A676 HydrophobicContact CB-CB 3.88Å
418	A	97.3	Very high	95.6	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-62.7	-49.4	173	0	0	0	0	0	111.3	G414 M415 R420 S421 T422 I496 A676	G414-A418 PolarHBondContact O-N 3.12Å; M415-A418 PolarHBondContact O-N 3.45Å; A418-R420 VanDerWaalsContact C-N 3.35Å; A418-R420 PolarHBondContact O-N 3Å; A418-S421 PolarHBondContact O-N 3.4Å; A418-T422 PolarHBondContact O-N 2.7Å; A418-T422 PolarHBondContact O-OG1 3.36Å; A418-I496 HydrophobicContact CB-CD1 3.68Å; A418-I496 HydrophobicContact CB-CG1 4.2Å; A418-I496 HydrophobicContact CB-CG2 4.24Å; A418-A676 WeakPolarHBondContact CA-O 3.38Å; A418-A676 HydrophobicContact CB-CB 4.01Å
419	V	97.7	Very high	95.1	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-56	-49.4	175.9	174.6	0	0	0	0	110.8	V405 N407 M415 S421 T422 V423 V456 W459 L467 I496	V405-V419 HydrophobicContact CG1-CG1 4.2Å; V405-V419 HydrophobicContact CG2-CG2 4.28Å; N407-V419 WeakPolarHBondContact OD1-CG2 3.49Å; M415-V419 WeakPolarHBondContact O-CG2 3.4Å; M415-V419 PolarHBondContact O-N 3.11Å; V419-S421 VanDerWaalsContact C-N 3.3Å; V419-S421 PolarHBondContact O-N 3.07Å; V419-T422 PolarHBondContact O-N 3.37Å; V419-V423 HydrophobicContact CG1-CG2 4.19Å; V419-V423 VanDerWaalsContact O-CG2 3.32Å; V419-V423 WeakPolarHBondContact O-CG2 3.49Å; V419-V423 PolarHBondContact O-N 3.08Å; V419-V456 HydrophobicContact CG1-CG1 4.39Å; V419-W459 HydrophobicContact CB-CE3 4.49Å; V419-W459 HydrophobicContact CB-CZ3 4.42Å; V419-W459 HydrophobicContact CG1-CE3 4.23Å; V419-W459 HydrophobicContact CG1-CZ3 3.82Å; V419-L467 HydrophobicContact CG1-CD1 3.97Å; V419-L467 HydrophobicContact CG1-CG 4.5Å; V419-L467 HydrophobicContact CG2-CD1 3.91Å; V419-I496 HydrophobicContact CB-CD1 4.36Å; V419-I496 HydrophobicContact CG2-CD1 3.53Å
420	R	95.8	Very high	94.8	Very high	8 Å²	8	11.1 Å²	11.1	3%	0.03	6%	0.064	C	C	.	.	H	α-helix	trans	-55.6	-46.5	178.5	174.2	-174.7	167.1	-85.7	6.8	111.9	G224 N416 A417 A418 R424 V456 W459 T460	G224-R420 VanDerWaalsContact CA-NH2 3.33Å; N416-R420 VanDerWaalsContact O-CB 3.31Å; N416-R420 WeakPolarHBondContact O-CB 3.46Å; N416-R420 PolarHBondContact O-N 3.15Å; A417-R420 PolarHBondContact O-N 3.12Å; A418-R420 VanDerWaalsContact C-N 3.35Å; A418-R420 PolarHBondContact O-N 3Å; R420-R424 WeakPolarHBondContact O-CB 3.39Å; R420-R424 WeakPolarHBondContact O-CG 3.34Å; R420-R424 PolarHBondContact O-N 3.49Å; R420-V456 HydrophobicContact CB-CB 3.99Å; R420-V456 HydrophobicContact CB-CG2 4.28Å; R420-V456 HydrophobicContact CG-CB 4.04Å; R420-V456 HydrophobicContact CG-CG2 3.9Å; R420-W459 HydrophobicContact CB-CB 4.31Å; R420-T460 WeakPolarHBondContact CD-OG1 3.42Å; R420-T460 PolarHBondContact NE-OG1 3.31Å
421	S	95.2	Very high	94.6	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-65.3	-46.8	-178.4	-170.2	0	0	0	0	111.4	A417 A418 V419 V423 R424 I425 T677 A681	A417-S421 WeakPolarHBondContact O-CB 3.41Å; A417-S421 PolarHBondContact O-N 3.42Å; A418-S421 PolarHBondContact O-N 3.4Å; V419-S421 VanDerWaalsContact C-N 3.3Å; V419-S421 PolarHBondContact O-N 3.07Å; S421-V423 PolarHBondContact O-N 2.79Å; S421-R424 PolarHBondContact O-N 2.93Å; S421-I425 WeakPolarHBondContact O-CB 3.49Å; S421-I425 WeakPolarHBondContact O-CG1 3.37Å; S421-I425 PolarHBondContact O-N 3.39Å; S421-T677 VanDerWaalsContact CB-O 3.29Å; S421-T677 WeakPolarHBondContact CB-O 3.26Å; S421-T677 PolarHBondContact OG-O 2.84Å; S421-A681 PolarHBondContact OG-N 3.33Å
422	T	96.5	Very high	94.5	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-57.7	-47.9	175.6	-62.1	0	0	0	0	112.1	V405 A418 V419 G426 V494 G680 M684	V405-T422 HydrophobicContact CB-CG2 4.25Å; V405-T422 HydrophobicContact CG2-CG2 4.2Å; A418-T422 PolarHBondContact O-N 2.7Å; A418-T422 PolarHBondContact O-OG1 3.36Å; V419-T422 PolarHBondContact O-N 3.37Å; T422-G426 PolarHBondContact O-N 3.35Å; T422-V494 HydrophobicContact CG2-CB 4.12Å; T422-V494 HydrophobicContact CG2-CG1 4.12Å; T422-V494 HydrophobicContact CG2-CG2 3.87Å; T422-G680 VanDerWaalsContact OG1-CA 3.3Å; T422-G680 WeakPolarHBondContact OG1-CA 3.45Å; T422-G680 PolarHBondContact OG1-O 3.41Å; T422-M684 HydrophobicContact CG2-CB 4.45Å; T422-M684 HydrophobicContact CG2-SD 4.09Å
423	V	95.4	Very high	94.5	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-61	-49.8	178.4	172	0	0	0	0	111.2	V405 V419 S421 I425 G426 L427 V433 V435 A451 V456	V405-V423 HydrophobicContact CG1-CG2 4.11Å; V419-V423 HydrophobicContact CG1-CG2 4.19Å; V419-V423 VanDerWaalsContact O-CG2 3.32Å; V419-V423 WeakPolarHBondContact O-CG2 3.49Å; V419-V423 PolarHBondContact O-N 3.08Å; S421-V423 PolarHBondContact O-N 2.79Å; V423-I425 PolarHBondContact O-N 3.26Å; V423-G426 PolarHBondContact O-N 2.93Å; V423-L427 HydrophobicContact CG1-CD1 3.95Å; V423-L427 HydrophobicContact CG1-CG 4.44Å; V423-L427 VanDerWaalsContact O-CG 3.27Å; V423-L427 WeakPolarHBondContact O-CG 3.48Å; V423-L427 PolarHBondContact O-N 2.99Å; V423-V433 HydrophobicContact CB-CG1 4.39Å; V423-V433 HydrophobicContact CG2-CG1 3.87Å; V423-V435 HydrophobicContact CG2-CG1 4.3Å; V423-A451 HydrophobicContact CG1-CB 3.94Å; V423-A451 HydrophobicContact CG2-CB 4.15Å; V423-V456 HydrophobicContact CB-CG1 4Å; V423-V456 HydrophobicContact CB-CG2 4.2Å; V423-V456 HydrophobicContact CG1-CG1 4.09Å; V423-V456 HydrophobicContact CG1-CG2 4.01Å; V423-V456 HydrophobicContact CG2-CG1 3.92Å
424	R	93.2	Very high	94.6	Very high	31 Å²	31	12.8 Å²	12.8	12%	0.117	6%	0.059	C	C	.	.	H	α-helix	trans	-64.8	-44.1	-177.2	-73.9	-175.4	175.9	-157.2	-1.1	112.6	L388 R420 S421 G426 L427 I428 W453 V456	L388-R424 HydrophobicContact CD2-CB 3.86Å; R420-R424 WeakPolarHBondContact O-CB 3.39Å; R420-R424 WeakPolarHBondContact O-CG 3.34Å; R420-R424 PolarHBondContact O-N 3.49Å; S421-R424 PolarHBondContact O-N 2.93Å; R424-G426 VanDerWaalsContact C-N 3.34Å; R424-L427 PolarHBondContact O-N 3.39Å; R424-I428 WeakPolarHBondContact O-CB 3.23Å; R424-I428 WeakPolarHBondContact O-CD1 3.23Å; R424-I428 VanDerWaalsContact O-CG1 3.28Å; R424-I428 WeakPolarHBondContact O-CG1 3.49Å; R424-I428 PolarHBondContact O-N 3.09Å; R424-W453 HydrophobicContact CB-CH2 4.49Å; R424-W453 HydrophobicContact CB-CZ3 4.11Å; R424-W453 HydrophobicContact CG-CD2 4.48Å; R424-W453 HydrophobicContact CG-CE3 4.17Å; R424-W453 HydrophobicContact CG-CH2 4.37Å; R424-W453 HydrophobicContact CG-CZ3 4.1Å; R424-V456 HydrophobicContact CG-CG2 4.12Å
425	I	93.6	Very high	94.7	Very high	2 Å²	2	12.8 Å²	12.8	1%	0.01	6%	0.059	C	C	.	.	H	α-helix	trans	-66.2	-39.7	177.5	-64.3	-62	0	0	0	110.8	L387 L388 S421 V423 L427 I428 Q429 A681 M684	L387-I425 HydrophobicContact CB-CD1 3.95Å; L388-I425 HydrophobicContact CD2-CD1 3.59Å; L388-I425 HydrophobicContact CD2-CG1 3.86Å; L388-I425 HydrophobicContact CG-CD1 4.03Å; S421-I425 WeakPolarHBondContact O-CB 3.49Å; S421-I425 WeakPolarHBondContact O-CG1 3.37Å; S421-I425 PolarHBondContact O-N 3.39Å; V423-I425 PolarHBondContact O-N 3.26Å; I425-L427 PolarHBondContact O-N 3.13Å; I425-I428 HydrophobicContact CD1-CD1 4.24Å; I425-I428 PolarHBondContact O-N 3.29Å; I425-Q429 HydrophobicContact CG2-CG 4.47Å; I425-Q429 WeakPolarHBondContact O-CG 3.16Å; I425-Q429 PolarHBondContact O-N 2.88Å; I425-A681 HydrophobicContact CD1-CB 4.45Å; I425-A681 HydrophobicContact CG1-CB 3.91Å; I425-M684 HydrophobicContact CB-CB 4.13Å; I425-M684 HydrophobicContact CB-CG 4.08Å; I425-M684 HydrophobicContact CG2-CB 3.81Å; I425-M684 HydrophobicContact CG2-CG 3.76Å
426	G	93.8	Very high	94.8	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-59.9	-45.8	176.3	0	0	0	0	0	111.7	T422 V423 R424 Q429 G430 N431	T422-G426 PolarHBondContact O-N 3.35Å; V423-G426 PolarHBondContact O-N 2.93Å; R424-G426 VanDerWaalsContact C-N 3.34Å; G426-Q429 PolarHBondContact O-N 3.35Å; G426-G430 PolarHBondContact O-N 2.88Å; G426-N431 WeakPolarHBondContact O-CB 3.43Å; G426-N431 PolarHBondContact O-N 2.96Å; G426-N431 PolarHBondContact O-ND2 2.84Å
427	L	92.3	Very high	94.8	Very high	30 Å²	30	15 Å²	15	16%	0.157	7%	0.069	C	C	.	.	H	α-helix	trans	-65	-39.6	175.2	-66.5	173.1	0	0	0	112.4	P393 P394 V423 R424 I425 Q429 G430 V433 W453	P393-L427 HydrophobicContact CG-CB 4.44Å; P394-L427 WeakPolarHBondContact CD-O 3.49Å; V423-L427 HydrophobicContact CG1-CD1 3.95Å; V423-L427 HydrophobicContact CG1-CG 4.44Å; V423-L427 VanDerWaalsContact O-CG 3.27Å; V423-L427 WeakPolarHBondContact O-CG 3.48Å; V423-L427 PolarHBondContact O-N 2.99Å; R424-L427 PolarHBondContact O-N 3.39Å; I425-L427 PolarHBondContact O-N 3.13Å; L427-Q429 VanDerWaalsContact C-N 3.27Å; L427-Q429 PolarHBondContact O-N 2.98Å; L427-G430 PolarHBondContact O-N 2.83Å; L427-V433 HydrophobicContact CD2-CG2 4.39Å; L427-V433 HydrophobicContact CG-CG2 4.34Å; L427-W453 HydrophobicContact CD1-CB 4.3Å
428	I	90.7	Very high	94.8	Very high	19 Å²	19	17.1 Å²	17.1	10%	0.097	8%	0.081	C	C	.	.	H	α-helix	trans	-59.9	-39	175.8	-79.3	159.5	0	0	0	111.6	L387 V391 P393 P394 R424 I425 G430 W453	L387-I428 VanDerWaalsContact O-CD1 3.22Å; L387-I428 WeakPolarHBondContact O-CD1 3.5Å; V391-I428 HydrophobicContact CB-CG2 3.86Å; V391-I428 HydrophobicContact CG1-CG2 3.43Å; V391-I428 VanDerWaalsContact CG1-CG2 3.43Å; P393-I428 HydrophobicContact CG-CG1 4.46Å; P394-I428 WeakPolarHBondContact CD-O 3.02Å; R424-I428 WeakPolarHBondContact O-CB 3.23Å; R424-I428 WeakPolarHBondContact O-CD1 3.23Å; R424-I428 VanDerWaalsContact O-CG1 3.28Å; R424-I428 WeakPolarHBondContact O-CG1 3.49Å; R424-I428 PolarHBondContact O-N 3.09Å; I425-I428 HydrophobicContact CD1-CD1 4.24Å; I425-I428 PolarHBondContact O-N 3.29Å; I428-G430 PolarHBondContact O-N 2.8Å; I428-W453 HydrophobicContact CD1-CH2 4.23Å; I428-W453 HydrophobicContact CD1-CZ3 4.01Å; I428-W453 HydrophobicContact CG1-CZ3 4.03Å
429	Q	89.6	Confident	94.8	Very high	62 Å²	62	17.1 Å²	17.1	29%	0.29	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-0.7	176.9	-69	167.9	-16.8	0	0	113.4	I425 G426 L427 N431 N685 S688	I425-Q429 HydrophobicContact CG2-CG 4.47Å; I425-Q429 WeakPolarHBondContact O-CG 3.16Å; I425-Q429 PolarHBondContact O-N 2.88Å; G426-Q429 PolarHBondContact O-N 3.35Å; L427-Q429 VanDerWaalsContact C-N 3.27Å; L427-Q429 PolarHBondContact O-N 2.98Å; Q429-N431 WeakPolarHBondContact CB-ND2 3.37Å; Q429-N431 PolarHBondContact OE1-ND2 3.33Å; Q429-N685 PolarHBondContact NE2-OD1 3.45Å; Q429-S688 PolarHBondContact OE1-OG 3.43Å
430	G	89.9	Confident	94.8	Very high	14 Å²	14	17.2 Å²	17.2	14%	0.144	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	72	31.7	-176.7	0	0	0	0	0	113.1	P394 G399 S400 G426 L427 I428	P394-G430 VanDerWaalsContact CG-CA 3.4Å; G399-G430 CarbonylContact C-O 3.6Å; G399-G430 WeakPolarHBondContact CA-O 3.28Å; S400-G430 PolarHBondContact N-O 3.23Å; G426-G430 PolarHBondContact O-N 2.88Å; L427-G430 PolarHBondContact O-N 2.83Å; I428-G430 PolarHBondContact O-N 2.8Å
431	N	91.6	Very high	94.8	Very high	6 Å²	6	18.8 Å²	18.8	3%	0.032	9%	0.089	C	C	.	.			trans	-91.1	149.8	169.9	-57.9	-60.1	0	0	0	110.2	S400 H401 G426 Q429 M684 S688	S400-N431 PolarHBondContact OG-OD1 2.86Å; H401-N431 CarbonylContact O-C 3.59Å; H401-N431 VanDerWaalsContact O-CA 3.3Å; H401-N431 WeakPolarHBondContact O-CA 3.46Å; H401-N431 WeakPolarHBondContact O-CB 3.17Å; G426-N431 WeakPolarHBondContact O-CB 3.43Å; G426-N431 PolarHBondContact O-N 2.96Å; G426-N431 PolarHBondContact O-ND2 2.84Å; Q429-N431 WeakPolarHBondContact CB-ND2 3.37Å; Q429-N431 PolarHBondContact OE1-ND2 3.33Å; N431-M684 HydrophobicContact CB-CE 4.45Å; N431-M684 VanDerWaalsContact ND2-CE 3.27Å; N431-M684 WeakPolarHBondContact ND2-CE 3.14Å; N431-S688 PolarHBondContact ND2-OG 3.32Å
432	R	93.9	Very high	94.9	Very high	94 Å²	94	18.8 Å²	18.8	36%	0.355	9%	0.089	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	120.3	164.3	-175.8	-178.3	-176.2	-149.2	-2	108.2	H401 T402 V403 E450	H401-R432 PolarHBondContact O-N 2.93Å; T402-R432 CarbonylContact C-O 3.59Å; T402-R432 VanDerWaalsContact CA-O 3.29Å; T402-R432 WeakPolarHBondContact CA-O 3.43Å; T402-R432 HydrophobicContact CG2-CB 4.46Å; T402-R432 HydrophobicContact CG2-CG 4.47Å; V403-R432 PolarHBondContact N-O 2.95Å; R432-E450 HydrophobicContact CG-CG 4.35Å; R432-E450 IonicContact CZ-OE2 3.5Å; R432-E450 VanDerWaalsContact CZ-OE2 3.31Å; R432-E450 IonicContact NE-OE1 3.59Å; R432-E450 IonicContact NE-OE2 2.68Å; R432-E450 PolarHBondContact NE-OE2 2.78Å; R432-E450 IonicContact NH2-OE2 3.18Å; R432-E450 PolarHBondContact NH2-OE2 2.88Å
433	V	95.8	Very high	95	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.006	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	121.7	-177.8	-170.9	0	0	0	0	110.6	V403 V405 V423 L427 A451	V403-V433 CarbonylContact O-C 3.55Å; V403-V433 WeakPolarHBondContact O-CA 3.45Å; V405-V433 HydrophobicContact CG1-CG1 4.46Å; V423-V433 HydrophobicContact CB-CG1 4.39Å; V423-V433 HydrophobicContact CG2-CG1 3.87Å; L427-V433 HydrophobicContact CD2-CG2 4.39Å; L427-V433 HydrophobicContact CG-CG2 4.34Å; V433-A451 PolarHBondContact O-N 3.44Å
434	L	97.5	Very high	95.1	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.01	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	142.7	174.9	-57.1	-179.5	0	0	0	109.9	T402 V403 A404 V405 I448 E449 E450 F488 I490	T402-L434 HydrophobicContact CG2-CD1 3.57Å; T402-L434 HydrophobicContact CG2-CG 3.83Å; V403-L434 PolarHBondContact O-N 3.13Å; A404-L434 CarbonylContact C-O 3.54Å; A404-L434 VanDerWaalsContact CA-O 3.28Å; A404-L434 WeakPolarHBondContact CA-O 3.44Å; A404-L434 HydrophobicContact CB-CB 4.35Å; V405-L434 PolarHBondContact N-O 3.02Å; L434-I448 HydrophobicContact CB-CG2 3.78Å; L434-I448 HydrophobicContact CD1-CG2 3.97Å; L434-I448 HydrophobicContact CG-CG2 4.31Å; L434-E449 CarbonylContact C-O 3.54Å; L434-E449 WeakPolarHBondContact CA-O 3.43Å; L434-E450 HydrophobicContact CD2-CB 3.98Å; L434-E450 HydrophobicContact CD2-CG 4.29Å; L434-F488 HydrophobicContact CD1-CB 3.89Å; L434-F488 HydrophobicContact CD1-CD1 4.47Å; L434-I490 HydrophobicContact CD1-CG1 4.11Å
435	V	97.9	Very high	95.3	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	135.7	169.9	-66.6	0	0	0	0	108.9	V405 V423 I448 E449 A451 Y455 L467	V405-V435 HydrophobicContact CG1-CB 4.46Å; V405-V435 HydrophobicContact CG1-CG1 3.69Å; V405-V435 WeakPolarHBondContact O-CA 3.25Å; V423-V435 HydrophobicContact CG2-CG1 4.3Å; V435-I448 WeakPolarHBondContact O-CA 3.41Å; V435-E449 HydrophobicContact CG2-CG 3.39Å; V435-E449 WeakPolarHBondContact CG2-O 3.45Å; V435-E449 PolarHBondContact N-O 3.2Å; V435-E449 PolarHBondContact O-N 3.24Å; V435-E449 VanDerWaalsContact O-N 3.08Å; V435-A451 HydrophobicContact CG1-CB 3.58Å; V435-A451 HydrophobicContact CG2-CB 4.35Å; V435-Y455 HydrophobicContact CG1-CE1 4.22Å; V435-Y455 HydrophobicContact CG2-CE1 4.02Å; V435-L467 HydrophobicContact CB-CD1 4.18Å; V435-L467 HydrophobicContact CB-CD2 3.72Å; V435-L467 HydrophobicContact CG1-CD1 4.33Å; V435-L467 HydrophobicContact CG1-CD2 4.08Å; V435-L467 HydrophobicContact CG2-CD2 4.08Å
436	V	98.3	Very high	95.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	124.1	177.5	-171.6	0	0	0	0	108.4	A404 V405 M406 L443 I448	A404-V436 HydrophobicContact CB-CG2 4.09Å; V405-V436 PolarHBondContact O-N 3.5Å; M406-V436 HydrophobicContact CB-CB 3.75Å; M406-V436 HydrophobicContact CB-CG2 4.25Å; V436-L443 HydrophobicContact CG1-CB 3.8Å; V436-L443 HydrophobicContact CG1-CD1 4.39Å; V436-L443 VanDerWaalsContact CG1-N 3.35Å; V436-L443 HydrophobicContact CG2-CD1 4.35Å; V436-I448 HydrophobicContact CG1-CG1 4.17Å; V436-I448 HydrophobicContact CG2-CD1 4.5Å; V436-I448 HydrophobicContact CG2-CG1 4.16Å
437	H	97.8	Very high	95.5	Very high	45 Å²	45	28.8 Å²	28.8	21%	0.208	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	151.9	176.2	-65.9	-84.2	0	0	0	111.3	G439 G442 Q447 E449 L467	H437-G439 PolarHBondContact O-N 3.08Å; H437-G442 WeakPolarHBondContact O-CA 3.35Å; H437-Q447 HydrophobicContact CB-CB 4.23Å; H437-Q447 PolarHBondContact N-O 3.04Å; H437-E449 IonicContact CE1-OE1 2.62Å; H437-E449 IonicContact NE2-OE1 3.66Å; H437-E449 PolarHBondContact NE2-OE1 2.93Å; H437-L467 CarbonylContact C-O 3.47Å; H437-L467 WeakPolarHBondContact CA-O 3.49Å; H437-L467 PolarHBondContact ND1-O 2.76Å
438	D	96.8	Very high	95.8	Very high	45 Å²	45	28.3 Å²	28.3	24%	0.241	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	27.3	171.2	-68	-27	0	0	0	116.2	L467 K470	D438-L467 PolarHBondContact N-O 3.12Å; D438-K470 HydrophobicContact CB-CD 4.1Å; D438-K470 HydrophobicContact CB-CG 4.24Å
439	G	96.8	Very high	96.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	63.4	-141.5	174.2	0	0	0	0	0	113.6	N407 H437 E441 G442 L443	N407-G439 WeakPolarHBondContact O-CA 3.41Å; H437-G439 PolarHBondContact O-N 3.08Å; G439-E441 PolarHBondContact O-N 3.29Å; G439-G442 PolarHBondContact O-N 3.29Å; G439-L443 PolarHBondContact O-N 2.92Å
440	F	97.8	Very high	96.3	Very high	3 Å²	3	33.8 Å²	33.8	1%	0.013	17%	0.166	C	C	.	.	H	α-helix	trans	-61.2	-29.6	-178.3	-68	-68	0	0	0	113.8	M406 V408 L443 A444 T472 P474 I481 I495 L508	M406-F440 HydrophobicContact CE-CD1 3.5Å; M406-F440 HydrophobicContact CE-CD2 4.5Å; M406-F440 HydrophobicContact CE-CE1 3.18Å; M406-F440 HydrophobicContact CE-CE2 4.24Å; M406-F440 HydrophobicContact CE-CG 4.19Å; M406-F440 HydrophobicContact CE-CZ 3.6Å; M406-F440 HydrophobicContact SD-CD1 4.3Å; M406-F440 HydrophobicContact SD-CE1 4.5Å; V408-F440 HydrophobicContact CB-CE2 4.44Å; V408-F440 HydrophobicContact CG1-CD2 3.95Å; V408-F440 HydrophobicContact CG1-CE2 3.9Å; V408-F440 HydrophobicContact CG2-CD2 3.82Å; V408-F440 HydrophobicContact CG2-CE2 3.81Å; F440-L443 PolarHBondContact O-N 3.1Å; F440-A444 WeakPolarHBondContact O-CB 3.2Å; F440-A444 PolarHBondContact O-N 3.48Å; F440-T472 VanDerWaalsContact CD2-O 3.31Å; F440-T472 WeakPolarHBondContact CD2-O 3.21Å; F440-P474 HydrophobicContact CB-CB 4.4Å; F440-P474 HydrophobicContact CD1-CB 3.61Å; F440-P474 HydrophobicContact CD1-CG 4.02Å; F440-P474 HydrophobicContact CD2-CG 4.42Å; F440-P474 HydrophobicContact CE1-CB 3.86Å; F440-P474 HydrophobicContact CE1-CG 3.83Å; F440-P474 HydrophobicContact CE2-CG 4.25Å; F440-P474 HydrophobicContact CG-CB 3.98Å; F440-P474 HydrophobicContact CG-CG 4.29Å; F440-P474 HydrophobicContact CZ-CB 4.45Å; F440-P474 HydrophobicContact CZ-CG 3.95Å; F440-I481 HydrophobicContact CD1-CD1 4.42Å; F440-I495 HydrophobicContact CE1-CD1 4.35Å; F440-I495 HydrophobicContact CZ-CD1 3.95Å; F440-L508 HydrophobicContact CE1-CD1 3.96Å; F440-L508 HydrophobicContact CE1-CD2 4.44Å; F440-L508 HydrophobicContact CE1-CG 4.26Å; F440-L508 HydrophobicContact CZ-CD1 4.3Å
441	E	96.9	Very high	96.5	Very high	41 Å²	41	33.1 Å²	33.1	19%	0.192	16%	0.159	C	C	.	.	H	α-helix	trans	-68.1	-44.2	177.3	-171.3	-174.3	143.4	0	0	111.4	G439 L443 A444 K445 K470 T472	G439-E441 PolarHBondContact O-N 3.29Å; E441-L443 VanDerWaalsContact C-N 3.34Å; E441-A444 PolarHBondContact O-N 3.49Å; E441-K445 HydrophobicContact CG-CD 4.37Å; E441-K445 WeakPolarHBondContact O-CG 3.27Å; E441-K445 PolarHBondContact O-N 2.84Å; E441-K445 WeakPolarHBondContact OE1-CE 3.39Å; E441-K445 IonicContact OE1-NZ 2.64Å; E441-K445 PolarHBondContact OE1-NZ 2.83Å; E441-K470 HydrophobicContact CB-CD 4.33Å; E441-K470 IonicContact OE1-NZ 2.86Å; E441-K470 PolarHBondContact OE1-NZ 3.09Å; E441-K470 WeakPolarHBondContact OE2-CD 3.31Å; E441-K470 IonicContact OE2-NZ 2.94Å; E441-K470 PolarHBondContact OE2-NZ 2.91Å; E441-T472 HydrophobicContact CB-CG2 4.22Å; E441-T472 PolarHBondContact OE2-OG1 2.66Å
442	G	97.2	Very high	96.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-71.9	-29.4	175.3	0	0	0	0	0	112.6	H437 G439 A444 K445 G446 Q447	H437-G442 WeakPolarHBondContact O-CA 3.35Å; G439-G442 PolarHBondContact O-N 3.29Å; G442-A444 VanDerWaalsContact C-N 3.35Å; G442-A444 PolarHBondContact O-N 2.92Å; G442-K445 CarbonylContact O-C 3.55Å; G442-K445 PolarHBondContact O-N 2.99Å; G442-G446 PolarHBondContact O-N 3.18Å; G442-Q447 PolarHBondContact O-N 2.66Å
443	L	97.6	Very high	96.1	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-59.5	-45.1	168.8	-173.2	50.5	0	0	0	111.4	M406 V436 G439 F440 E441 G446 I448 I481 N484 I490	M406-L443 HydrophobicContact SD-CD2 4.4Å; V436-L443 HydrophobicContact CG1-CB 3.8Å; V436-L443 HydrophobicContact CG1-CD1 4.39Å; V436-L443 VanDerWaalsContact CG1-N 3.35Å; V436-L443 HydrophobicContact CG2-CD1 4.35Å; G439-L443 PolarHBondContact O-N 2.92Å; F440-L443 PolarHBondContact O-N 3.1Å; E441-L443 VanDerWaalsContact C-N 3.34Å; L443-G446 PolarHBondContact O-N 3.33Å; L443-I448 HydrophobicContact CD1-CD1 3.71Å; L443-I481 HydrophobicContact CB-CG1 4.48Å; L443-I481 HydrophobicContact CD2-CG1 4.38Å; L443-I481 HydrophobicContact CD2-CG2 3.76Å; L443-I481 HydrophobicContact CG-CG1 4.16Å; L443-I481 HydrophobicContact CG-CG2 4.08Å; L443-N484 PolarHBondContact O-ND2 3.11Å; L443-I490 HydrophobicContact CD1-CD1 4.04Å
444	A	97.6	Very high	95.8	Very high	15 Å²	15	35.7 Å²	35.7	12%	0.124	19%	0.192	C	C	.	.	H	α-helix	trans	-66.4	-36.3	176.5	0	0	0	0	0	112.5	F440 E441 G442 G446 Q480 I481 N484	F440-A444 WeakPolarHBondContact O-CB 3.2Å; F440-A444 PolarHBondContact O-N 3.48Å; E441-A444 PolarHBondContact O-N 3.49Å; G442-A444 VanDerWaalsContact C-N 3.35Å; G442-A444 PolarHBondContact O-N 2.92Å; A444-G446 VanDerWaalsContact C-N 3.33Å; A444-Q480 HydrophobicContact CB-CB 4.04Å; A444-I481 HydrophobicContact CB-CG1 4.02Å; A444-N484 PolarHBondContact O-ND2 2.86Å
445	K	97.2	Very high	95.4	Very high	130 Å²	130	38.8 Å²	38.8	57%	0.565	20%	0.204	S	C	*	.	H	α-helix	trans	-82	-6.3	178.2	-67.5	177.6	-173.1	176.8	0	114.3	E441 G442 Q447	E441-K445 HydrophobicContact CG-CD 4.37Å; E441-K445 WeakPolarHBondContact O-CG 3.27Å; E441-K445 PolarHBondContact O-N 2.84Å; E441-K445 WeakPolarHBondContact OE1-CE 3.39Å; E441-K445 IonicContact OE1-NZ 2.64Å; E441-K445 PolarHBondContact OE1-NZ 2.83Å; G442-K445 CarbonylContact O-C 3.55Å; G442-K445 PolarHBondContact O-N 2.99Å; K445-Q447 HydrophobicContact CB-CG 4.13Å
446	G	96.3	Very high	95.1	Very high	20 Å²	20	38.8 Å²	38.8	21%	0.206	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	26.7	-177.2	0	0	0	0	0	114.2	G442 L443 A444 I448 N484	G442-G446 PolarHBondContact O-N 3.18Å; L443-G446 PolarHBondContact O-N 3.33Å; A444-G446 VanDerWaalsContact C-N 3.33Å; G446-I448 PolarHBondContact O-N 3.09Å; G446-N484 PolarHBondContact N-ND2 3.18Å
447	Q	97.1	Very high	94.6	Very high	77 Å²	77	40.5 Å²	40.5	36%	0.36	22%	0.222	S	C	.	.			trans	-78.2	69.3	175.2	-64.9	178.2	-31.7	0	0	110.5	H437 G442 K445	H437-Q447 HydrophobicContact CB-CB 4.23Å; H437-Q447 PolarHBondContact N-O 3.04Å; G442-Q447 PolarHBondContact O-N 2.66Å; K445-Q447 HydrophobicContact CB-CG 4.13Å
448	I	97.6	Very high	94.1	Very high	20 Å²	20	40.3 Å²	40.3	10%	0.103	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	130.1	-170.4	-56	173.7	0	0	0	108.8	L434 V435 V436 L443 G446 F488 I490	L434-I448 HydrophobicContact CB-CG2 3.78Å; L434-I448 HydrophobicContact CD1-CG2 3.97Å; L434-I448 HydrophobicContact CG-CG2 4.31Å; V435-I448 WeakPolarHBondContact O-CA 3.41Å; V436-I448 HydrophobicContact CG1-CG1 4.17Å; V436-I448 HydrophobicContact CG2-CD1 4.5Å; V436-I448 HydrophobicContact CG2-CG1 4.16Å; L443-I448 HydrophobicContact CD1-CD1 3.71Å; G446-I448 PolarHBondContact O-N 3.09Å; I448-F488 HydrophobicContact CB-CD1 4.3Å; I448-F488 HydrophobicContact CB-CE1 4.02Å; I448-F488 HydrophobicContact CB-CE2 4.33Å; I448-F488 HydrophobicContact CB-CZ 4.02Å; I448-F488 HydrophobicContact CD1-CD2 3.63Å; I448-F488 HydrophobicContact CD1-CE2 3.78Å; I448-F488 HydrophobicContact CD1-CG 4.1Å; I448-F488 HydrophobicContact CD1-CZ 4.35Å; I448-F488 HydrophobicContact CG1-CE2 4.42Å; I448-F488 HydrophobicContact CG2-CD1 4.16Å; I448-F488 HydrophobicContact CG2-CE1 4.31Å; I448-F488 HydrophobicContact CG2-CG 4.44Å; I448-I490 HydrophobicContact CD1-CD1 4.19Å
449	E	96.3	Very high	93.9	Very high	84 Å²	84	39.3 Å²	39.3	39%	0.393	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	160.5	174.8	65.8	179.3	-172.4	0	0	111.6	L434 V435 H437 Y455	L434-E449 CarbonylContact C-O 3.54Å; L434-E449 WeakPolarHBondContact CA-O 3.43Å; V435-E449 HydrophobicContact CG2-CG 3.39Å; V435-E449 WeakPolarHBondContact CG2-O 3.45Å; V435-E449 PolarHBondContact N-O 3.2Å; V435-E449 PolarHBondContact O-N 3.24Å; V435-E449 VanDerWaalsContact O-N 3.08Å; H437-E449 IonicContact CE1-OE1 2.62Å; H437-E449 IonicContact NE2-OE1 3.66Å; H437-E449 PolarHBondContact NE2-OE1 2.93Å; E449-Y455 WeakPolarHBondContact OE1-CE2 3.25Å; E449-Y455 PolarHBondContact OE1-OH 2.58Å
450	E	95.4	Very high	93.7	Very high	111 Å²	111	39.4 Å²	39.4	52%	0.519	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	126.7	179.8	-173.7	169.7	159.7	0	0	110.6	R432 L434	R432-E450 HydrophobicContact CG-CG 4.35Å; R432-E450 IonicContact CZ-OE2 3.5Å; R432-E450 VanDerWaalsContact CZ-OE2 3.31Å; R432-E450 IonicContact NE-OE1 3.59Å; R432-E450 IonicContact NE-OE2 2.68Å; R432-E450 PolarHBondContact NE-OE2 2.78Å; R432-E450 IonicContact NH2-OE2 3.18Å; R432-E450 PolarHBondContact NH2-OE2 2.88Å; L434-E450 HydrophobicContact CD2-CB 3.98Å; L434-E450 HydrophobicContact CD2-CG 4.29Å
451	A	93.7	Very high	93.3	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.008	23%	0.234	C	C	.	.			trans	-96.5	117.4	-177.6	0	0	0	0	0	111.7	V423 V433 V435 Y455	V423-A451 HydrophobicContact CG1-CB 3.94Å; V423-A451 HydrophobicContact CG2-CB 4.15Å; V433-A451 PolarHBondContact O-N 3.44Å; V435-A451 HydrophobicContact CG1-CB 3.58Å; V435-A451 HydrophobicContact CG2-CB 4.35Å; A451-Y455 HydrophobicContact CB-CD1 3.73Å; A451-Y455 HydrophobicContact CB-CE1 4.26Å; A451-Y455 HydrophobicContact CB-CG 4.23Å
452	G	89.3	Confident	93.1	Very high	35 Å²	35	41.6 Å²	41.6	36%	0.361	24%	0.24	S	C	.	.			trans	-84.1	176.9	170.4	0	0	0	0	0	113.7	S454 Y455	G452-S454 VanDerWaalsContact C-N 3.35Å; G452-S454 PolarHBondContact O-N 2.53Å; G452-Y455 WeakPolarHBondContact O-CB 3.33Å; G452-Y455 PolarHBondContact O-N 3.42Å
453	W	88.3	Confident	92.9	Very high	35 Å²	35	42.9 Å²	42.9	13%	0.133	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-42	179.5	-176.5	-85.8	0	0	0	113.5	P393 R424 L427 I428	P393-W453 HydrophobicContact CG-CE3 3.76Å; P393-W453 HydrophobicContact CG-CZ3 3.89Å; R424-W453 HydrophobicContact CB-CH2 4.49Å; R424-W453 HydrophobicContact CB-CZ3 4.11Å; R424-W453 HydrophobicContact CG-CD2 4.48Å; R424-W453 HydrophobicContact CG-CE3 4.17Å; R424-W453 HydrophobicContact CG-CH2 4.37Å; R424-W453 HydrophobicContact CG-CZ3 4.1Å; L427-W453 HydrophobicContact CD1-CB 4.3Å; I428-W453 HydrophobicContact CD1-CH2 4.23Å; I428-W453 HydrophobicContact CD1-CZ3 4.01Å; I428-W453 HydrophobicContact CG1-CZ3 4.03Å
454	S	87.5	Confident	92.8	Very high	85 Å²	85	44.5 Å²	44.5	59%	0.594	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-23.9	-178.8	49.1	0	0	0	0	113	G452 V456 G457	G452-S454 VanDerWaalsContact C-N 3.35Å; G452-S454 PolarHBondContact O-N 2.53Å; S454-V456 VanDerWaalsContact C-N 3.31Å; S454-V456 PolarHBondContact O-N 3.16Å; S454-G457 PolarHBondContact O-N 3.47Å
455	Y	90.8	Very high	92.7	Very high	67 Å²	67	45.1 Å²	45.1	26%	0.263	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-43.7	-178.3	180	-95.6	0	0	0	112.1	V435 E449 A451 G452 G457 W459 L467	V435-Y455 HydrophobicContact CG1-CE1 4.22Å; V435-Y455 HydrophobicContact CG2-CE1 4.02Å; E449-Y455 WeakPolarHBondContact OE1-CE2 3.25Å; E449-Y455 PolarHBondContact OE1-OH 2.58Å; A451-Y455 HydrophobicContact CB-CD1 3.73Å; A451-Y455 HydrophobicContact CB-CE1 4.26Å; A451-Y455 HydrophobicContact CB-CG 4.23Å; G452-Y455 WeakPolarHBondContact O-CB 3.33Å; G452-Y455 PolarHBondContact O-N 3.42Å; Y455-G457 VanDerWaalsContact C-N 3.3Å; Y455-G457 PolarHBondContact O-N 2.95Å; Y455-W459 HydrophobicContact CD1-CH2 4.14Å; Y455-W459 HydrophobicContact CD1-CZ2 4.14Å; Y455-W459 AromaticContact CE1-CH2 3.43Å; Y455-W459 HydrophobicContact CE1-CH2 3.43Å; Y455-W459 VanDerWaalsContact CE1-CH2 3.43Å; Y455-W459 AromaticContact CE1-CZ2 3.7Å; Y455-W459 HydrophobicContact CE1-CZ2 3.7Å; Y455-W459 HydrophobicContact CE1-CZ3 4.38Å; Y455-W459 PolarHBondContact O-NE1 2.91Å; Y455-W459 VanDerWaalsContact O-NE1 3.15Å; Y455-L467 HydrophobicContact CE1-CD2 4.4Å
456	V	91.9	Very high	92.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	16.3	176.9	-61.7	0	0	0	0	113.5	V419 R420 V423 R424 S454 G458 W459	V419-V456 HydrophobicContact CG1-CG1 4.39Å; R420-V456 HydrophobicContact CB-CB 3.99Å; R420-V456 HydrophobicContact CB-CG2 4.28Å; R420-V456 HydrophobicContact CG-CB 4.04Å; R420-V456 HydrophobicContact CG-CG2 3.9Å; V423-V456 HydrophobicContact CB-CG1 4Å; V423-V456 HydrophobicContact CB-CG2 4.2Å; V423-V456 HydrophobicContact CG1-CG1 4.09Å; V423-V456 HydrophobicContact CG1-CG2 4.01Å; V423-V456 HydrophobicContact CG2-CG1 3.92Å; R424-V456 HydrophobicContact CG-CG2 4.12Å; S454-V456 VanDerWaalsContact C-N 3.31Å; S454-V456 PolarHBondContact O-N 3.16Å; V456-G458 PolarHBondContact O-N 3.45Å; V456-W459 HydrophobicContact CB-CD2 4.3Å; V456-W459 HydrophobicContact CB-CE3 4.45Å; V456-W459 HydrophobicContact CB-CG 4.44Å; V456-W459 HydrophobicContact CG1-CD2 4.36Å; V456-W459 HydrophobicContact CG1-CE3 4.12Å; V456-W459 HydrophobicContact CG1-CZ3 4.24Å; V456-W459 PolarHBondContact O-N 3.49Å
457	G	87.7	Confident	92.7	Very high	36 Å²	36	43.3 Å²	43.3	37%	0.371	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	126.5	179	0	0	0	0	0	111.9	S454 Y455 W459	S454-G457 PolarHBondContact O-N 3.47Å; Y455-G457 VanDerWaalsContact C-N 3.3Å; Y455-G457 PolarHBondContact O-N 2.95Å; G457-W459 VanDerWaalsContact C-N 3.27Å; G457-W459 PolarHBondContact O-N 3.27Å
458	G	86.4	Confident	92.6	Very high	41 Å²	41	40.6 Å²	40.6	42%	0.423	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	8.2	178	0	0	0	0	0	115.7	V456 T460 Q462	V456-G458 PolarHBondContact O-N 3.45Å; G458-T460 VanDerWaalsContact C-N 3.33Å; G458-T460 PolarHBondContact O-N 3.47Å; G458-Q462 PolarHBondContact O-NE2 2.79Å; G458-Q462 VanDerWaalsContact O-NE2 3.15Å
459	W	93	Very high	92.6	Very high	23 Å²	23	41 Å²	41	9%	0.087	26%	0.257	C	S	.	.			trans	-74.2	-18.7	-177.9	-78	30.6	0	0	0	114.1	N416 V419 R420 Y455 V456 G457 G461 Q462 K466 L467	N416-W459 HydrophobicContact CB-CB 4.15Å; N416-W459 HydrophobicContact CB-CE3 4.29Å; N416-W459 WeakPolarHBondContact CB-O 3.46Å; V419-W459 HydrophobicContact CB-CE3 4.49Å; V419-W459 HydrophobicContact CB-CZ3 4.42Å; V419-W459 HydrophobicContact CG1-CE3 4.23Å; V419-W459 HydrophobicContact CG1-CZ3 3.82Å; R420-W459 HydrophobicContact CB-CB 4.31Å; Y455-W459 HydrophobicContact CD1-CH2 4.14Å; Y455-W459 HydrophobicContact CD1-CZ2 4.14Å; Y455-W459 AromaticContact CE1-CH2 3.43Å; Y455-W459 HydrophobicContact CE1-CH2 3.43Å; Y455-W459 VanDerWaalsContact CE1-CH2 3.43Å; Y455-W459 AromaticContact CE1-CZ2 3.7Å; Y455-W459 HydrophobicContact CE1-CZ2 3.7Å; Y455-W459 HydrophobicContact CE1-CZ3 4.38Å; Y455-W459 PolarHBondContact O-NE1 2.91Å; Y455-W459 VanDerWaalsContact O-NE1 3.15Å; V456-W459 HydrophobicContact CB-CD2 4.3Å; V456-W459 HydrophobicContact CB-CE3 4.45Å; V456-W459 HydrophobicContact CB-CG 4.44Å; V456-W459 HydrophobicContact CG1-CD2 4.36Å; V456-W459 HydrophobicContact CG1-CE3 4.12Å; V456-W459 HydrophobicContact CG1-CZ3 4.24Å; V456-W459 PolarHBondContact O-N 3.49Å; G457-W459 VanDerWaalsContact C-N 3.27Å; G457-W459 PolarHBondContact O-N 3.27Å; W459-G461 VanDerWaalsContact C-N 3.32Å; W459-G461 PolarHBondContact O-N 3.42Å; W459-Q462 PolarHBondContact O-N 3.09Å; W459-K466 HydrophobicContact CD2-CB 4.17Å; W459-K466 HydrophobicContact CD2-CG 4.09Å; W459-K466 HydrophobicContact CE3-CB 3.98Å; W459-K466 HydrophobicContact CE3-CG 4.31Å; W459-K466 HydrophobicContact CH2-CB 3.45Å; W459-K466 VanDerWaalsContact CH2-CB 3.45Å; W459-K466 HydrophobicContact CH2-CG 4.33Å; W459-K466 HydrophobicContact CZ2-CB 3.67Å; W459-K466 HydrophobicContact CZ2-CG 4.11Å; W459-K466 HydrophobicContact CZ3-CB 3.61Å; W459-K466 HydrophobicContact CZ3-CG 4.42Å; W459-L467 HydrophobicContact CH2-CD2 3.86Å; W459-L467 HydrophobicContact CH2-CG 4.47Å; W459-L467 HydrophobicContact CZ3-CD2 4.11Å; W459-L467 HydrophobicContact CZ3-CG 4.29Å
460	T	91.6	Very high	92.5	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.018	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-41	-174.5	-38.2	0	0	0	0	112.9	S222 A417 R420 G458 P668 R673	S222-T460 WeakPolarHBondContact O-CG2 3.37Å; A417-T460 HydrophobicContact CB-CG2 3.97Å; R420-T460 WeakPolarHBondContact CD-OG1 3.42Å; R420-T460 PolarHBondContact NE-OG1 3.31Å; G458-T460 VanDerWaalsContact C-N 3.33Å; G458-T460 PolarHBondContact O-N 3.47Å; T460-P668 WeakPolarHBondContact O-CG 3.18Å; T460-R673 HydrophobicContact CG2-CB 4.22Å; T460-R673 HydrophobicContact CG2-CG 4.39Å; T460-R673 WeakPolarHBondContact O-CG 3.41Å
461	G	90.5	Very high	92.5	Very high	18 Å²	18	42.1 Å²	42.1	19%	0.186	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	4.8	-177.9	0	0	0	0	0	115.3	W459 P668 R673	W459-G461 VanDerWaalsContact C-N 3.32Å; W459-G461 PolarHBondContact O-N 3.42Å; G461-P668 WeakPolarHBondContact O-CD 3.42Å; G461-R673 VanDerWaalsContact CA-CZ 3.47Å
462	Q	92.9	Very high	92.6	Very high	71 Å²	71	44.5 Å²	44.5	33%	0.332	27%	0.27	S	S	.	.			trans	-98.5	129.2	-175	-60.9	-172.8	25.1	0	0	111.2	N416 G458 W459	N416-Q462 PolarHBondContact ND2-O 3.47Å; G458-Q462 PolarHBondContact O-NE2 2.79Å; G458-Q462 VanDerWaalsContact O-NE2 3.15Å; W459-Q462 PolarHBondContact O-N 3.09Å
463	G	93.3	Very high	93	Very high	28 Å²	28	45.6 Å²	45.6	29%	0.289	27%	0.267	S	S	.	.			trans	-71.6	179.7	170.9	0	0	0	0	0	114	N416 G666	N416-G463 PolarHBondContact ND2-O 3.32Å; G463-G666 WeakPolarHBondContact CA-O 3.31Å
464	G	94	Very high	93.4	Very high	34 Å²	34	44 Å²	44	35%	0.351	26%	0.26	S	S	.	.	S	Bend	trans	66.9	-157.1	179.8	0	0	0	0	0	113.9	N416	N416-G464 PolarHBondContact ND2-O 3.14Å
465	S	96.3	Very high	93.7	Very high	29 Å²	29	45.5 Å²	45.5	20%	0.203	26%	0.256	C	S	.	.			trans	-127.4	113.3	176.7	178.3	0	0	0	0	110.6	N407 L467 G468	N407-S465 PolarHBondContact ND2-OG 2.92Å; S465-L467 VanDerWaalsContact C-N 3.32Å; S465-G468 PolarHBondContact O-N 3.48Å; S465-G468 PolarHBondContact OG-N 2.82Å; S465-G468 PolarHBondContact OG-O 3.09Å
466	K	96.2	Very high	93.9	Very high	109 Å²	109	51.9 Å²	51.9	47%	0.474	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-26.6	175.9	-75.1	-64.8	-172.1	-178.9	0	113.8	N416 W459 G468	N416-K466 PolarHBondContact OD1-N 3.36Å; W459-K466 HydrophobicContact CD2-CB 4.17Å; W459-K466 HydrophobicContact CD2-CG 4.09Å; W459-K466 HydrophobicContact CE3-CB 3.98Å; W459-K466 HydrophobicContact CE3-CG 4.31Å; W459-K466 HydrophobicContact CH2-CB 3.45Å; W459-K466 VanDerWaalsContact CH2-CB 3.45Å; W459-K466 HydrophobicContact CH2-CG 4.33Å; W459-K466 HydrophobicContact CZ2-CB 3.67Å; W459-K466 HydrophobicContact CZ2-CG 4.11Å; W459-K466 HydrophobicContact CZ3-CB 3.61Å; W459-K466 HydrophobicContact CZ3-CG 4.42Å; K466-G468 PolarHBondContact O-N 3.17Å
467	L	96.6	Very high	94	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.01	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-6.1	174.4	-60.1	-174.4	0	0	0	112.6	V419 V435 H437 D438 Y455 W459 S465	V419-L467 HydrophobicContact CG1-CD1 3.97Å; V419-L467 HydrophobicContact CG1-CG 4.5Å; V419-L467 HydrophobicContact CG2-CD1 3.91Å; V435-L467 HydrophobicContact CB-CD1 4.18Å; V435-L467 HydrophobicContact CB-CD2 3.72Å; V435-L467 HydrophobicContact CG1-CD1 4.33Å; V435-L467 HydrophobicContact CG1-CD2 4.08Å; V435-L467 HydrophobicContact CG2-CD2 4.08Å; H437-L467 CarbonylContact C-O 3.47Å; H437-L467 WeakPolarHBondContact CA-O 3.49Å; H437-L467 PolarHBondContact ND1-O 2.76Å; D438-L467 PolarHBondContact N-O 3.12Å; Y455-L467 HydrophobicContact CE1-CD2 4.4Å; W459-L467 HydrophobicContact CH2-CD2 3.86Å; W459-L467 HydrophobicContact CH2-CG 4.47Å; W459-L467 HydrophobicContact CZ3-CD2 4.11Å; W459-L467 HydrophobicContact CZ3-CG 4.29Å; S465-L467 VanDerWaalsContact C-N 3.32Å
468	G	96.1	Very high	94.4	Very high	21 Å²	21	52.2 Å²	52.2	22%	0.216	28%	0.281	C	S	.	.			trans	72.8	165.1	-160.8	0	0	0	0	0	110.6	S465 K466	S465-G468 PolarHBondContact O-N 3.48Å; S465-G468 PolarHBondContact OG-N 2.82Å; S465-G468 PolarHBondContact OG-O 3.09Å; K466-G468 PolarHBondContact O-N 3.17Å
469	T	96.3	Very high	94.9	Very high	27 Å²	27	56.6 Å²	56.6	17%	0.166	29%	0.29	C	S	.	.			trans	-159.9	140.5	177.5	-175.3	0	0	0	0	109	N407 V408 G409 P411	N407-T469 PolarHBondContact O-OG1 3.35Å; V408-T469 VanDerWaalsContact C-OG1 3.26Å; V408-T469 WeakPolarHBondContact CA-OG1 3.32Å; V408-T469 PolarHBondContact N-OG1 2.94Å; G409-T469 PolarHBondContact N-OG1 3.41Å; G409-T469 WeakPolarHBondContact O-CG2 3.13Å; G409-T469 PolarHBondContact O-OG1 3.48Å; P411-T469 HydrophobicContact CB-CG2 4.12Å
470	K	95.5	Very high	95.1	Very high	68 Å²	68	59.4 Å²	59.4	30%	0.296	30%	0.304	S	S	.	.	B	Isolated β-bridge	trans	-137.6	159.5	-179.3	-64.1	-168.1	-177.7	-171.9	0	110.8	G409 D438 E441 T472	G409-K470 PolarHBondContact N-O 2.86Å; D438-K470 HydrophobicContact CB-CD 4.1Å; D438-K470 HydrophobicContact CB-CG 4.24Å; E441-K470 HydrophobicContact CB-CD 4.33Å; E441-K470 IonicContact OE1-NZ 2.86Å; E441-K470 PolarHBondContact OE1-NZ 3.09Å; E441-K470 WeakPolarHBondContact OE2-CD 3.31Å; E441-K470 IonicContact OE2-NZ 2.94Å; E441-K470 PolarHBondContact OE2-NZ 2.91Å; K470-T472 VanDerWaalsContact C-N 3.29Å
471	R	95.3	Very high	95.3	Very high	151 Å²	151	59.3 Å²	59.3	57%	0.57	30%	0.303	S	S	*	.			trans	-87.7	8.2	177.7	-65.2	-176.2	-176.6	-173.7	1.4	113.6	E500	R471-E500 HydrophobicContact CB-CG 3.94Å; R471-E500 HydrophobicContact CG-CG 4.25Å
472	T	95.9	Very high	95.6	Very high	52 Å²	52	58.6 Å²	58.6	32%	0.319	30%	0.296	S	S	.	.			trans	-67.8	132.3	-177.5	-50.4	0	0	0	0	110.7	F440 E441 K470	F440-T472 VanDerWaalsContact CD2-O 3.31Å; F440-T472 WeakPolarHBondContact CD2-O 3.21Å; E441-T472 HydrophobicContact CB-CG2 4.22Å; E441-T472 PolarHBondContact OE2-OG1 2.66Å; K470-T472 VanDerWaalsContact C-N 3.29Å
473	L	97	Very high	95.8	Very high	58 Å²	58	58 Å²	58	30%	0.304	30%	0.303	S	S	.	.			trans	-94.6	149	178.1	-64.9	178	0	0	0	111.5	K475 E500 T503 E507	L473-K475 PolarHBondContact O-N 2.99Å; L473-E500 HydrophobicContact CD2-CB 4.24Å; L473-E500 HydrophobicContact CD2-CG 4.48Å; L473-E500 WeakPolarHBondContact CD2-O 3.4Å; L473-T503 HydrophobicContact CD1-CG2 4.1Å; L473-T503 HydrophobicContact CD2-CG2 4.17Å; L473-E507 WeakPolarHBondContact CB-OE2 3.34Å
474	P	96.7	Very high	96	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-72.9	-24.7	-171	27.8	-35	0	0	0	115.2	F440 K476 S477 F478 I481 E507 L508	F440-P474 HydrophobicContact CB-CB 4.4Å; F440-P474 HydrophobicContact CD1-CB 3.61Å; F440-P474 HydrophobicContact CD1-CG 4.02Å; F440-P474 HydrophobicContact CD2-CG 4.42Å; F440-P474 HydrophobicContact CE1-CB 3.86Å; F440-P474 HydrophobicContact CE1-CG 3.83Å; F440-P474 HydrophobicContact CE2-CG 4.25Å; F440-P474 HydrophobicContact CG-CB 3.98Å; F440-P474 HydrophobicContact CG-CG 4.29Å; F440-P474 HydrophobicContact CZ-CB 4.45Å; F440-P474 HydrophobicContact CZ-CG 3.95Å; P474-K476 VanDerWaalsContact C-N 3.26Å; P474-K476 PolarHBondContact O-N 3.35Å; P474-K476 VanDerWaalsContact O-N 3.08Å; P474-S477 CarbonylContact O-C 3.59Å; P474-S477 PolarHBondContact O-N 2.73Å; P474-F478 HydrophobicContact CB-CD1 4.22Å; P474-F478 HydrophobicContact CB-CE1 3.88Å; P474-F478 HydrophobicContact CG-CE1 4.13Å; P474-F478 WeakPolarHBondContact O-CD1 3.2Å; P474-F478 PolarHBondContact O-N 3.19Å; P474-I481 HydrophobicContact CB-CD1 3.55Å; P474-E507 WeakPolarHBondContact CD-OE2 3.38Å; P474-E507 HydrophobicContact CG-CB 3.87Å; P474-L508 HydrophobicContact CB-CD2 4.25Å; P474-L508 HydrophobicContact CG-CD2 4.36Å; P474-L508 HydrophobicContact CG-CG 4.25Å
475	K	95	Very high	96.1	Very high	117 Å²	117	56.4 Å²	56.4	51%	0.509	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-54.5	-35.1	-169.9	178.8	171.7	-172.9	165.4	0	115.6	L473 S477 F478 E507	L473-K475 PolarHBondContact O-N 2.99Å; K475-S477 PolarHBondContact O-N 3.03Å; K475-F478 VanDerWaalsContact CA-CZ 3.44Å; K475-F478 HydrophobicContact CB-CE1 4.36Å; K475-F478 HydrophobicContact CB-CE2 4.07Å; K475-F478 HydrophobicContact CB-CZ 3.84Å; K475-F478 HydrophobicContact CG-CE2 3.98Å; K475-F478 HydrophobicContact CG-CZ 4.23Å; K475-E507 HydrophobicContact CB-CB 4.36Å; K475-E507 HydrophobicContact CB-CG 4.15Å; K475-E507 WeakPolarHBondContact CB-OE2 3.39Å; K475-E507 HydrophobicContact CD-CG 4.5Å; K475-E507 PolarHBondContact N-OE2 2.66Å
476	K	93.7	Very high	96	Very high	201 Å²	201	59.2 Å²	59.2	87%	0.874	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-74.2	-14.9	179	-64.9	-175.1	-179.6	-178.4	0	113.6	P474	P474-K476 VanDerWaalsContact C-N 3.26Å; P474-K476 PolarHBondContact O-N 3.35Å; P474-K476 VanDerWaalsContact O-N 3.08Å
477	S	94.7	Very high	96	Very high	30 Å²	30	61.3 Å²	61.3	21%	0.21	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-127.4	23.3	-172.7	-49.7	0	0	0	0	112.6	P474 K475 E479 Q480 I481	P474-S477 CarbonylContact O-C 3.59Å; P474-S477 PolarHBondContact O-N 2.73Å; K475-S477 PolarHBondContact O-N 3.03Å; S477-E479 VanDerWaalsContact C-N 3.28Å; S477-E479 PolarHBondContact O-N 2.86Å; S477-Q480 VanDerWaalsContact CA-OE1 3.26Å; S477-Q480 PolarHBondContact O-N 3.08Å; S477-Q480 PolarHBondContact O-OE1 2.94Å; S477-I481 WeakPolarHBondContact O-CB 3.3Å; S477-I481 VanDerWaalsContact O-CG1 3.23Å; S477-I481 WeakPolarHBondContact O-CG1 3.23Å; S477-I481 PolarHBondContact O-N 3.26Å
478	F	95.8	Very high	96	Very high	13 Å²	13	63.1 Å²	63.1	6%	0.057	31%	0.313	C	S	.	.	H	α-helix	trans	-56.6	-42.2	-177.4	-74.9	-28.2	0	0	0	112.5	P474 K475 Q480 I481 S482 E507 F515 L518	P474-F478 HydrophobicContact CB-CD1 4.22Å; P474-F478 HydrophobicContact CB-CE1 3.88Å; P474-F478 HydrophobicContact CG-CE1 4.13Å; P474-F478 WeakPolarHBondContact O-CD1 3.2Å; P474-F478 PolarHBondContact O-N 3.19Å; K475-F478 VanDerWaalsContact CA-CZ 3.44Å; K475-F478 HydrophobicContact CB-CE1 4.36Å; K475-F478 HydrophobicContact CB-CE2 4.07Å; K475-F478 HydrophobicContact CB-CZ 3.84Å; K475-F478 HydrophobicContact CG-CE2 3.98Å; K475-F478 HydrophobicContact CG-CZ 4.23Å; F478-Q480 PolarHBondContact O-N 3.1Å; F478-I481 PolarHBondContact O-N 3.26Å; F478-S482 VanDerWaalsContact O-CB 3.28Å; F478-S482 WeakPolarHBondContact O-CB 3.41Å; F478-S482 PolarHBondContact O-N 3.35Å; F478-S482 PolarHBondContact O-OG 2.93Å; F478-E507 HydrophobicContact CE1-CB 4.43Å; F478-E507 HydrophobicContact CZ-CB 4.06Å; F478-E507 WeakPolarHBondContact CZ-O 3.35Å; F478-F515 HydrophobicContact CB-CD2 3.9Å; F478-F515 HydrophobicContact CB-CE2 3.57Å; F478-F515 HydrophobicContact CB-CZ 4.29Å; F478-F515 HydrophobicContact CD2-CE2 4.4Å; F478-F515 HydrophobicContact CG-CE2 4.43Å; F478-L518 HydrophobicContact CD1-CD1 3.99Å; F478-L518 HydrophobicContact CE1-CD1 4.35Å; F478-L518 HydrophobicContact CG-CD1 4.21Å
479	E	96.1	Very high	95.9	Very high	133 Å²	133	66.3 Å²	66.3	62%	0.621	33%	0.325	S	S	*	.	H	α-helix	trans	-57.9	-48.4	178.4	-175.1	-178.9	-168.1	0	0	111.8	S477 S482 A483 F515	S477-E479 VanDerWaalsContact C-N 3.28Å; S477-E479 PolarHBondContact O-N 2.86Å; E479-S482 PolarHBondContact O-N 3.18Å; E479-A483 WeakPolarHBondContact O-CB 3.32Å; E479-A483 PolarHBondContact O-N 3.09Å; E479-F515 HydrophobicContact CB-CE1 4.5Å; E479-F515 HydrophobicContact CB-CZ 4.35Å
480	Q	96.9	Very high	95.9	Very high	83 Å²	83	65.3 Å²	65.3	39%	0.388	32%	0.319	S	S	.	.	H	α-helix	trans	-69.7	-37.4	179.7	-62.1	76.5	19.2	0	0	111.8	A444 S477 F478 A483 N484	A444-Q480 HydrophobicContact CB-CB 4.04Å; S477-Q480 VanDerWaalsContact CA-OE1 3.26Å; S477-Q480 PolarHBondContact O-N 3.08Å; S477-Q480 PolarHBondContact O-OE1 2.94Å; F478-Q480 PolarHBondContact O-N 3.1Å; Q480-A483 PolarHBondContact O-N 3.03Å; Q480-N484 PolarHBondContact O-N 3.23Å; Q480-N484 PolarHBondContact O-ND2 2.76Å
481	I	97.2	Very high	95.9	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-63.7	-48.7	175.8	-70.9	169.3	0	0	0	110	F440 L443 A444 P474 S477 F478 A483 N484 I485 L518	F440-I481 HydrophobicContact CD1-CD1 4.42Å; L443-I481 HydrophobicContact CB-CG1 4.48Å; L443-I481 HydrophobicContact CD2-CG1 4.38Å; L443-I481 HydrophobicContact CD2-CG2 3.76Å; L443-I481 HydrophobicContact CG-CG1 4.16Å; L443-I481 HydrophobicContact CG-CG2 4.08Å; A444-I481 HydrophobicContact CB-CG1 4.02Å; P474-I481 HydrophobicContact CB-CD1 3.55Å; S477-I481 WeakPolarHBondContact O-CB 3.3Å; S477-I481 VanDerWaalsContact O-CG1 3.23Å; S477-I481 WeakPolarHBondContact O-CG1 3.23Å; S477-I481 PolarHBondContact O-N 3.26Å; F478-I481 PolarHBondContact O-N 3.26Å; I481-A483 VanDerWaalsContact C-N 3.35Å; I481-A483 PolarHBondContact O-N 3.22Å; I481-N484 PolarHBondContact O-N 3.21Å; I481-I485 HydrophobicContact CG2-CD1 3.76Å; I481-I485 HydrophobicContact CG2-CG1 4.39Å; I481-I485 WeakPolarHBondContact O-CG1 3.27Å; I481-I485 PolarHBondContact O-N 3.19Å; I481-L518 HydrophobicContact CG2-CD2 4Å
482	S	96.2	Very high	96	Very high	4 Å²	4	56.1 Å²	56.1	3%	0.028	28%	0.283	C	S	.	.	H	α-helix	trans	-59.5	-44.7	176.9	-63.3	0	0	0	0	111.3	F478 E479 N484 I485 T486 F515	F478-S482 VanDerWaalsContact O-CB 3.28Å; F478-S482 WeakPolarHBondContact O-CB 3.41Å; F478-S482 PolarHBondContact O-N 3.35Å; F478-S482 PolarHBondContact O-OG 2.93Å; E479-S482 PolarHBondContact O-N 3.18Å; S482-N484 VanDerWaalsContact C-N 3.34Å; S482-N484 PolarHBondContact O-N 2.77Å; S482-I485 PolarHBondContact O-N 3.39Å; S482-T486 PolarHBondContact O-N 2.71Å; S482-T486 VanDerWaalsContact O-N 3.1Å; S482-T486 PolarHBondContact O-OG1 3.04Å; S482-F515 VanDerWaalsContact OG-CB 3.29Å; S482-F515 WeakPolarHBondContact OG-CB 3.3Å; S482-F515 VanDerWaalsContact OG-CG 3.32Å; S482-F515 WeakPolarHBondContact OG-CG 3.05Å
483	A	96.9	Very high	96	Very high	59 Å²	59	53.9 Å²	53.9	49%	0.488	27%	0.269	S	S	.	.	H	α-helix	trans	-59.6	-42	175.6	0	0	0	0	0	112.4	E479 Q480 I481 K487	E479-A483 WeakPolarHBondContact O-CB 3.32Å; E479-A483 PolarHBondContact O-N 3.09Å; Q480-A483 PolarHBondContact O-N 3.03Å; I481-A483 VanDerWaalsContact C-N 3.35Å; I481-A483 PolarHBondContact O-N 3.22Å; A483-K487 VanDerWaalsContact O-CB 3.3Å; A483-K487 WeakPolarHBondContact O-CB 3.37Å; A483-K487 PolarHBondContact O-N 2.69Å
484	N	97.5	Very high	96.1	Very high	17 Å²	17	51.1 Å²	51.1	9%	0.091	26%	0.255	C	S	.	.	H	α-helix	trans	-74.3	-34.5	178	-75.6	-37.3	0	0	0	113.1	L443 A444 G446 Q480 I481 S482 T486 K487 F488	L443-N484 PolarHBondContact O-ND2 3.11Å; A444-N484 PolarHBondContact O-ND2 2.86Å; G446-N484 PolarHBondContact N-ND2 3.18Å; Q480-N484 PolarHBondContact O-N 3.23Å; Q480-N484 PolarHBondContact O-ND2 2.76Å; I481-N484 PolarHBondContact O-N 3.21Å; S482-N484 VanDerWaalsContact C-N 3.34Å; S482-N484 PolarHBondContact O-N 2.77Å; N484-T486 VanDerWaalsContact C-N 3.27Å; N484-T486 PolarHBondContact O-N 2.94Å; N484-K487 PolarHBondContact O-N 2.83Å; N484-F488 HydrophobicContact CB-CD2 4.23Å; N484-F488 HydrophobicContact CB-CE2 4.45Å; N484-F488 WeakPolarHBondContact O-CB 3.41Å; N484-F488 VanDerWaalsContact O-CD2 3.3Å; N484-F488 WeakPolarHBondContact O-CD2 3.32Å; N484-F488 PolarHBondContact O-N 3.18Å
485	I	96.3	Very high	96.2	Very high	10 Å²	10	51.1 Å²	51.1	5%	0.051	26%	0.255	C	S	.	.	H	α-helix	trans	-56.3	-46.4	171.9	-74.8	167.2	0	0	0	109.9	I481 S482 N489 I490 E517 L518 I520	I481-I485 HydrophobicContact CG2-CD1 3.76Å; I481-I485 HydrophobicContact CG2-CG1 4.39Å; I481-I485 WeakPolarHBondContact O-CG1 3.27Å; I481-I485 PolarHBondContact O-N 3.19Å; S482-I485 PolarHBondContact O-N 3.39Å; I485-N489 CarbonylContact O-C 3.54Å; I485-N489 WeakPolarHBondContact O-CA 3.4Å; I485-N489 PolarHBondContact O-N 2.96Å; I485-I490 HydrophobicContact CG1-CB 4.41Å; I485-I490 HydrophobicContact CG1-CD1 4.39Å; I485-I490 HydrophobicContact CG2-CB 4.24Å; I485-I490 PolarHBondContact O-N 2.69Å; I485-E517 HydrophobicContact CG2-CB 4.34Å; I485-E517 WeakPolarHBondContact CG2-O 3.43Å; I485-L518 HydrophobicContact CD1-CD2 3.71Å; I485-I520 HydrophobicContact CD1-CD1 4.14Å; I485-I520 HydrophobicContact CG1-CD1 4.47Å; I485-I520 HydrophobicContact CG2-CD1 4.3Å
486	T	94.9	Very high	96.4	Very high	89 Å²	89	45.5 Å²	45.5	55%	0.546	23%	0.23	S	C	.	.	H	α-helix	trans	-66	-49.1	175.5	-62.7	0	0	0	0	112.1	S482 N484 F488 N489 E517	S482-T486 PolarHBondContact O-N 2.71Å; S482-T486 VanDerWaalsContact O-N 3.1Å; S482-T486 PolarHBondContact O-OG1 3.04Å; N484-T486 VanDerWaalsContact C-N 3.27Å; N484-T486 PolarHBondContact O-N 2.94Å; T486-F488 VanDerWaalsContact C-N 3.31Å; T486-F488 PolarHBondContact O-N 3.39Å; T486-N489 PolarHBondContact O-N 3.4Å; T486-N489 VanDerWaalsContact O-N 3.08Å; T486-E517 WeakPolarHBondContact OG1-CG 3.47Å
487	K	96.2	Very high	96.6	Very high	153 Å²	153	36 Å²	36	67%	0.665	19%	0.189	S	C	*	.	H	α-helix	trans	-56.7	-41.9	-178.4	179.6	-178.4	174.7	-177.3	0	113	A483 N484	A483-K487 VanDerWaalsContact O-CB 3.3Å; A483-K487 WeakPolarHBondContact O-CB 3.37Å; A483-K487 PolarHBondContact O-N 2.69Å; N484-K487 PolarHBondContact O-N 2.83Å
488	F	95.2	Very high	96.7	Very high	40 Å²	40	34.7 Å²	34.7	18%	0.175	18%	0.18	C	C	.	.	H	α-helix	trans	-95.1	1.1	-179.1	-68.7	-86.2	0	0	0	113.1	L434 I448 N484 T486 I490	L434-F488 HydrophobicContact CD1-CB 3.89Å; L434-F488 HydrophobicContact CD1-CD1 4.47Å; I448-F488 HydrophobicContact CB-CD1 4.3Å; I448-F488 HydrophobicContact CB-CE1 4.02Å; I448-F488 HydrophobicContact CB-CE2 4.33Å; I448-F488 HydrophobicContact CB-CZ 4.02Å; I448-F488 HydrophobicContact CD1-CD2 3.63Å; I448-F488 HydrophobicContact CD1-CE2 3.78Å; I448-F488 HydrophobicContact CD1-CG 4.1Å; I448-F488 HydrophobicContact CD1-CZ 4.35Å; I448-F488 HydrophobicContact CG1-CE2 4.42Å; I448-F488 HydrophobicContact CG2-CD1 4.16Å; I448-F488 HydrophobicContact CG2-CE1 4.31Å; I448-F488 HydrophobicContact CG2-CG 4.44Å; N484-F488 HydrophobicContact CB-CD2 4.23Å; N484-F488 HydrophobicContact CB-CE2 4.45Å; N484-F488 WeakPolarHBondContact O-CB 3.41Å; N484-F488 VanDerWaalsContact O-CD2 3.3Å; N484-F488 WeakPolarHBondContact O-CD2 3.32Å; N484-F488 PolarHBondContact O-N 3.18Å; T486-F488 VanDerWaalsContact C-N 3.31Å; T486-F488 PolarHBondContact O-N 3.39Å; F488-I490 VanDerWaalsContact C-N 3.3Å; F488-I490 HydrophobicContact CB-CD1 4.3Å; F488-I490 HydrophobicContact CB-CG1 4.01Å; F488-I490 PolarHBondContact O-N 2.9Å
489	N	94.4	Very high	96.8	Very high	88 Å²	88	34.3 Å²	34.3	47%	0.471	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	44.7	-176.2	-172.3	33.8	0	0	0	112.6	T402 I485 T486 Q491	T402-N489 WeakPolarHBondContact CB-O 3.45Å; I485-N489 CarbonylContact O-C 3.54Å; I485-N489 WeakPolarHBondContact O-CA 3.4Å; I485-N489 PolarHBondContact O-N 2.96Å; T486-N489 PolarHBondContact O-N 3.4Å; T486-N489 VanDerWaalsContact O-N 3.08Å; N489-Q491 PolarHBondContact O-N 3.24Å
490	I	96	Very high	96.9	Very high	6 Å²	6	28.9 Å²	28.9	3%	0.031	15%	0.153	C	C	.	.			trans	-70.6	118.8	-180	-61.5	171.9	0	0	0	108.6	A404 L434 L443 I448 I485 F488 G492 I520	A404-I490 HydrophobicContact CB-CD1 3.93Å; A404-I490 HydrophobicContact CB-CG1 4.18Å; A404-I490 HydrophobicContact CB-CG2 3.77Å; L434-I490 HydrophobicContact CD1-CG1 4.11Å; L443-I490 HydrophobicContact CD1-CD1 4.04Å; I448-I490 HydrophobicContact CD1-CD1 4.19Å; I485-I490 HydrophobicContact CG1-CB 4.41Å; I485-I490 HydrophobicContact CG1-CD1 4.39Å; I485-I490 HydrophobicContact CG2-CB 4.24Å; I485-I490 PolarHBondContact O-N 2.69Å; F488-I490 VanDerWaalsContact C-N 3.3Å; F488-I490 HydrophobicContact CB-CD1 4.3Å; F488-I490 HydrophobicContact CB-CG1 4.01Å; F488-I490 PolarHBondContact O-N 2.9Å; I490-G492 WeakPolarHBondContact CG2-O 3.14Å; I490-I520 HydrophobicContact CG2-CD1 3.9Å
491	Q	95.6	Very high	96.9	Very high	26 Å²	26	25 Å²	25	12%	0.121	14%	0.135	C	C	.	.			trans	-106.5	-8.7	-176.8	-72.1	169.3	-20.3	0	0	113	H401 T402 N489 P521 I700	H401-Q491 VanDerWaalsContact CB-OE1 3.23Å; H401-Q491 PolarHBondContact ND1-OE1 3.29Å; T402-Q491 WeakPolarHBondContact O-CA 3.35Å; T402-Q491 WeakPolarHBondContact O-CB 3.46Å; T402-Q491 PolarHBondContact O-N 3.16Å; N489-Q491 PolarHBondContact O-N 3.24Å; Q491-P521 VanDerWaalsContact O-CD 3.3Å; Q491-P521 WeakPolarHBondContact O-CD 3.38Å; Q491-I700 HydrophobicContact CB-CG1 3.98Å; Q491-I700 HydrophobicContact CG-CG1 3.9Å
492	G	97	Very high	96.9	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	154.5	173.4	0	0	0	0	0	111.7	T402 V403 A404 I490 P521	T402-G492 PolarHBondContact O-N 3.44Å; V403-G492 WeakPolarHBondContact CA-O 3.37Å; A404-G492 PolarHBondContact N-O 3.31Å; I490-G492 WeakPolarHBondContact CG2-O 3.14Å; G492-P521 VanDerWaalsContact CA-O 3.28Å; G492-P521 WeakPolarHBondContact CA-O 3.23Å
493	L	97.8	Very high	97	Very high	4 Å²	4	25.9 Å²	25.9	2%	0.021	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	122.3	-171.2	-177.8	64.7	0	0	0	112.4	A404 M406 I495 L508 I520 P521 F522 V523 M687	A404-L493 HydrophobicContact CB-CD1 3.89Å; A404-L493 CarbonylContact O-C 3.49Å; A404-L493 WeakPolarHBondContact O-CA 3.41Å; M406-L493 HydrophobicContact CE-CD1 4.05Å; M406-L493 HydrophobicContact CE-CD2 3.77Å; M406-L493 HydrophobicContact CE-CG 4.19Å; M406-L493 HydrophobicContact CG-CD1 4.46Å; M406-L493 HydrophobicContact SD-CD1 4.29Å; L493-I495 HydrophobicContact CD2-CD1 3.91Å; L493-I495 HydrophobicContact CD2-CG1 4.09Å; L493-I495 HydrophobicContact CG-CD1 4.26Å; L493-I495 HydrophobicContact CG-CG1 3.88Å; L493-L508 HydrophobicContact CD2-CD1 3.97Å; L493-I520 HydrophobicContact CB-CD1 4.32Å; L493-P521 PolarHBondContact N-O 3.11Å; L493-F522 HydrophobicContact CB-CB 3.91Å; L493-F522 HydrophobicContact CG-CB 4.5Å; L493-F522 CarbonylContact O-C 3.6Å; L493-F522 WeakPolarHBondContact O-CA 3.06Å; L493-F522 WeakPolarHBondContact O-CB 3.28Å; L493-V523 PolarHBondContact O-N 2.91Å; L493-M687 VanDerWaalsContact O-CE 3.22Å; L493-M687 WeakPolarHBondContact O-CE 3.27Å
494	V	98.4	Very high	97	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	118.6	172.9	-178.1	0	0	0	0	109.1	V403 A404 V405 M406 T422 I496 V523 I525 M687	V403-V494 HydrophobicContact CG1-CG2 4.21Å; A404-V494 PolarHBondContact O-N 2.91Å; V405-V494 VanDerWaalsContact CA-O 3.32Å; V405-V494 WeakPolarHBondContact CA-O 3.1Å; V405-V494 HydrophobicContact CB-CB 4.3Å; V405-V494 HydrophobicContact CG2-CB 4.1Å; V405-V494 HydrophobicContact CG2-CG1 4.17Å; M406-V494 PolarHBondContact N-O 3.32Å; T422-V494 HydrophobicContact CG2-CB 4.12Å; T422-V494 HydrophobicContact CG2-CG1 4.12Å; T422-V494 HydrophobicContact CG2-CG2 3.87Å; V494-I496 HydrophobicContact CG1-CG1 4.38Å; V494-V523 HydrophobicContact CB-CG1 4.36Å; V494-V523 HydrophobicContact CG1-CG1 4.2Å; V494-V523 HydrophobicContact CG2-CG1 3.96Å; V494-I525 HydrophobicContact CG1-CD1 3.98Å; V494-I525 HydrophobicContact CG1-CG1 4.49Å; V494-M687 HydrophobicContact CG2-CE 4.02Å
495	I	98.5	Very high	97	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	116.9	-176.4	-41.4	-174.1	0	0	0	108.5	M406 V408 F440 L493 A501 L508 F522 V523 V524 I525	M406-I495 HydrophobicContact CE-CB 4.36Å; M406-I495 HydrophobicContact CE-CD1 3.73Å; M406-I495 HydrophobicContact CE-CG1 3.75Å; M406-I495 HydrophobicContact CE-CG2 3.9Å; M406-I495 HydrophobicContact CG-CG2 4.26Å; V408-I495 HydrophobicContact CB-CG2 4.18Å; V408-I495 HydrophobicContact CG2-CG2 3.7Å; F440-I495 HydrophobicContact CE1-CD1 4.35Å; F440-I495 HydrophobicContact CZ-CD1 3.95Å; L493-I495 HydrophobicContact CD2-CD1 3.91Å; L493-I495 HydrophobicContact CD2-CG1 4.09Å; L493-I495 HydrophobicContact CG-CD1 4.26Å; L493-I495 HydrophobicContact CG-CG1 3.88Å; I495-A501 HydrophobicContact CG2-CB 3.81Å; I495-L508 HydrophobicContact CD1-CD1 3.93Å; I495-F522 HydrophobicContact CD1-CD2 4.27Å; I495-V523 PolarHBondContact N-O 2.95Å; I495-V524 HydrophobicContact CB-CG2 4.29Å; I495-V524 HydrophobicContact CD1-CG2 4.41Å; I495-V524 CarbonylContact O-C 3.58Å; I495-V524 VanDerWaalsContact O-CA 3.25Å; I495-V524 WeakPolarHBondContact O-CA 3.35Å; I495-I525 PolarHBondContact O-N 3.28Å
496	I	98.6	Very high	97	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	117.9	179.2	-60.8	157.9	0	0	0	108.1	V405 M406 N407 V408 M415 A418 V419 V494 I525 A527	V405-I496 HydrophobicContact CG2-CD1 3.8Å; M406-I496 PolarHBondContact O-N 2.95Å; N407-I496 CarbonylContact C-O 3.56Å; N407-I496 VanDerWaalsContact CA-O 3.22Å; N407-I496 WeakPolarHBondContact CA-O 3.28Å; N407-I496 WeakPolarHBondContact OD1-CB 3.15Å; V408-I496 PolarHBondContact N-O 2.94Å; M415-I496 HydrophobicContact CB-CG2 4.37Å; M415-I496 HydrophobicContact CG-CG2 4.01Å; A418-I496 HydrophobicContact CB-CD1 3.68Å; A418-I496 HydrophobicContact CB-CG1 4.2Å; A418-I496 HydrophobicContact CB-CG2 4.24Å; V419-I496 HydrophobicContact CB-CD1 4.36Å; V419-I496 HydrophobicContact CG2-CD1 3.53Å; V494-I496 HydrophobicContact CG1-CG1 4.38Å; I496-I525 WeakPolarHBondContact CA-O 3.35Å; I496-I525 HydrophobicContact CG1-CB 4.07Å; I496-I525 HydrophobicContact CG1-CD1 4.03Å; I496-I525 HydrophobicContact CG1-CG1 4.44Å; I496-A527 HydrophobicContact CG2-CB 3.7Å
497	G	98.1	Very high	97.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.8	-179.6	-174.5	0	0	0	0	0	117.6	V408 I525 P526 A527	V408-G497 WeakPolarHBondContact O-CA 3.35Å; G497-I525 PolarHBondContact N-O 2.67Å; G497-P526 CarbonylContact O-C 3.6Å; G497-P526 WeakPolarHBondContact O-CA 3.11Å; G497-A527 CarbonylContact C-O 3.48Å; G497-A527 PolarHBondContact O-N 3.38Å
498	G	97.3	Very high	97.2	Very high	3 Å²	3	12.8 Å²	12.8	3%	0.031	7%	0.065	C	C	.	.	S	Bend	trans	-84.4	-149.5	-176.4	0	0	0	0	0	113.2	V408 E500 A501 Y502 A527	V408-G498 PolarHBondContact O-N 3.33Å; G498-E500 VanDerWaalsContact C-N 3.26Å; G498-E500 PolarHBondContact O-N 3.09Å; G498-A501 VanDerWaalsContact O-CB 3.32Å; G498-A501 WeakPolarHBondContact O-CB 3.38Å; G498-A501 PolarHBondContact O-N 3.07Å; G498-Y502 PolarHBondContact O-N 3.25Å; G498-A527 WeakPolarHBondContact CA-O 3.42Å; G498-A527 PolarHBondContact N-O 3.45Å
499	F	97.4	Very high	97.2	Very high	6 Å²	6	12.5 Å²	12.5	3%	0.026	7%	0.065	C	C	.	.	H	α-helix	trans	-59.3	-35.8	-179.8	-161.9	-88.7	0	0	0	112.5	A501 Y502 T503 N532 P534 T730 F732 R735	F499-A501 VanDerWaalsContact C-N 3.27Å; F499-A501 PolarHBondContact O-N 2.95Å; F499-Y502 HydrophobicContact CE2-CD1 4.33Å; F499-Y502 HydrophobicContact CZ-CD1 4.42Å; F499-Y502 WeakPolarHBondContact O-CB 3.34Å; F499-Y502 PolarHBondContact O-N 2.87Å; F499-Y502 VanDerWaalsContact O-N 3.17Å; F499-T503 WeakPolarHBondContact CD1-OG1 3.38Å; F499-T503 WeakPolarHBondContact CE1-OG1 3.46Å; F499-T503 PolarHBondContact O-N 3.02Å; F499-T503 PolarHBondContact O-OG1 2.68Å; F499-T503 VanDerWaalsContact O-OG1 3.12Å; F499-N532 WeakPolarHBondContact CD2-O 3.49Å; F499-P534 HydrophobicContact CE2-CG 4.15Å; F499-T730 HydrophobicContact CE2-CG2 3.76Å; F499-T730 HydrophobicContact CZ-CG2 3.54Å; F499-F732 HydrophobicContact CE1-CD1 4.3Å; F499-F732 HydrophobicContact CZ-CD1 4.16Å; F499-R735 HydrophobicContact CD1-CB 3.79Å; F499-R735 HydrophobicContact CD1-CG 3.87Å; F499-R735 HydrophobicContact CD2-CB 3.98Å; F499-R735 WeakPolarHBondContact CD2-O 3.34Å; F499-R735 HydrophobicContact CE1-CB 3.81Å; F499-R735 HydrophobicContact CE1-CG 3.76Å; F499-R735 VanDerWaalsContact CE2-C 3.44Å; F499-R735 HydrophobicContact CE2-CB 4.01Å; F499-R735 HydrophobicContact CG-CB 3.87Å; F499-R735 HydrophobicContact CG-CG 4.45Å; F499-R735 HydrophobicContact CZ-CB 3.92Å; F499-R735 HydrophobicContact CZ-CG 4.26Å
500	E	97.6	Very high	97.2	Very high	19 Å²	19	12.5 Å²	12.5	9%	0.089	6%	0.062	C	C	.	.	H	α-helix	trans	-62.2	-31.2	174.1	-72.9	82.7	178.2	0	0	113.4	V408 R471 L473 G498 G504 R735	V408-E500 HydrophobicContact CG1-CB 3.94Å; R471-E500 HydrophobicContact CB-CG 3.94Å; R471-E500 HydrophobicContact CG-CG 4.25Å; L473-E500 HydrophobicContact CD2-CB 4.24Å; L473-E500 HydrophobicContact CD2-CG 4.48Å; L473-E500 WeakPolarHBondContact CD2-O 3.4Å; G498-E500 VanDerWaalsContact C-N 3.26Å; G498-E500 PolarHBondContact O-N 3.09Å; E500-G504 WeakPolarHBondContact O-CA 3.43Å; E500-G504 PolarHBondContact O-N 3.26Å; E500-R735 IonicContact OE1-CZ 2.79Å; E500-R735 IonicContact OE1-NH1 3.51Å; E500-R735 PolarHBondContact OE1-NH1 2.84Å; E500-R735 IonicContact OE1-NH2 3.87Å; E500-R735 PolarHBondContact OE1-NH2 2.91Å; E500-R735 IonicContact OE2-CZ 3.86Å; E500-R735 IonicContact OE2-NH2 3.31Å; E500-R735 PolarHBondContact OE2-NH2 2.99Å
501	A	97.9	Very high	97.1	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-69.5	-41.2	174.4	0	0	0	0	0	111.1	V408 I495 G498 F499 G504 G505 V524	V408-A501 HydrophobicContact CB-CB 3.97Å; V408-A501 HydrophobicContact CG1-CB 4.26Å; I495-A501 HydrophobicContact CG2-CB 3.81Å; G498-A501 VanDerWaalsContact O-CB 3.32Å; G498-A501 WeakPolarHBondContact O-CB 3.38Å; G498-A501 PolarHBondContact O-N 3.07Å; F499-A501 VanDerWaalsContact C-N 3.27Å; F499-A501 PolarHBondContact O-N 2.95Å; A501-G504 PolarHBondContact O-N 3.39Å; A501-G505 PolarHBondContact O-N 2.94Å; A501-V524 HydrophobicContact CB-CG1 3.91Å
502	Y	97.8	Very high	97.1	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-63.1	-51.3	174.4	168.5	-110.3	0	0	0	111.8	G498 F499 G504 G505 L506 P534 V710 V723 L726 K727 T730 F732	G498-Y502 PolarHBondContact O-N 3.25Å; F499-Y502 HydrophobicContact CE2-CD1 4.33Å; F499-Y502 HydrophobicContact CZ-CD1 4.42Å; F499-Y502 WeakPolarHBondContact O-CB 3.34Å; F499-Y502 PolarHBondContact O-N 2.87Å; F499-Y502 VanDerWaalsContact O-N 3.17Å; Y502-G504 VanDerWaalsContact C-N 3.31Å; Y502-G504 PolarHBondContact O-N 3.47Å; Y502-G505 WeakPolarHBondContact O-CA 3.47Å; Y502-G505 PolarHBondContact O-N 2.86Å; Y502-G505 VanDerWaalsContact O-N 3.11Å; Y502-L506 HydrophobicContact CD1-CD1 4.42Å; Y502-L506 HydrophobicContact CE1-CD1 3.73Å; Y502-L506 HydrophobicContact CE2-CD1 4.3Å; Y502-L506 HydrophobicContact CE2-CG 4.33Å; Y502-L506 PolarHBondContact O-N 2.99Å; Y502-P534 HydrophobicContact CD1-CG 4.21Å; Y502-P534 HydrophobicContact CE1-CG 3.97Å; Y502-V710 HydrophobicContact CD2-CG2 3.77Å; Y502-V710 HydrophobicContact CE2-CG2 4.4Å; Y502-V723 HydrophobicContact CD2-CG1 4.5Å; Y502-V723 HydrophobicContact CE2-CB 4.16Å; Y502-V723 PolarHBondContact OH-O 3.47Å; Y502-L726 HydrophobicContact CE2-CB 3.88Å; Y502-L726 HydrophobicContact CE2-CD1 4.15Å; Y502-L726 VanDerWaalsContact OH-C 3.22Å; Y502-L726 WeakPolarHBondContact OH-CB 3.38Å; Y502-L726 PolarHBondContact OH-O 2.98Å; Y502-K727 PolarHBondContact OH-N 3.29Å; Y502-T730 HydrophobicContact CE1-CG2 4.03Å; Y502-T730 PolarHBondContact OH-OG1 3.11Å; Y502-F732 HydrophobicContact CE1-CE1 4.17Å; Y502-F732 HydrophobicContact CE1-CZ 4.29Å
503	T	97.5	Very high	96.9	Very high	24 Å²	24	20.6 Å²	20.6	15%	0.147	10%	0.096	C	C	.	.	H	α-helix	trans	-61.5	-40.2	175.9	-52.8	0	0	0	0	111.6	L473 F499 G505 L506 E507	L473-T503 HydrophobicContact CD1-CG2 4.1Å; L473-T503 HydrophobicContact CD2-CG2 4.17Å; F499-T503 WeakPolarHBondContact CD1-OG1 3.38Å; F499-T503 WeakPolarHBondContact CE1-OG1 3.46Å; F499-T503 PolarHBondContact O-N 3.02Å; F499-T503 PolarHBondContact O-OG1 2.68Å; F499-T503 VanDerWaalsContact O-OG1 3.12Å; T503-G505 VanDerWaalsContact C-N 3.3Å; T503-G505 PolarHBondContact O-N 3.11Å; T503-L506 WeakPolarHBondContact O-CB 3.22Å; T503-L506 PolarHBondContact O-N 3.14Å; T503-L506 VanDerWaalsContact O-N 3.16Å; T503-E507 PolarHBondContact O-N 3.2Å
504	G	97.3	Very high	96.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61.5	-38	173.9	0	0	0	0	0	112.6	E500 A501 Y502 E507 L508	E500-G504 WeakPolarHBondContact O-CA 3.43Å; E500-G504 PolarHBondContact O-N 3.26Å; A501-G504 PolarHBondContact O-N 3.39Å; Y502-G504 VanDerWaalsContact C-N 3.31Å; Y502-G504 PolarHBondContact O-N 3.47Å; G504-E507 PolarHBondContact O-N 2.62Å; G504-L508 VanDerWaalsContact O-CG 3.32Å; G504-L508 WeakPolarHBondContact O-CG 3.46Å; G504-L508 PolarHBondContact O-N 3.19Å
505	G	97.2	Very high	96.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.3	-42.1	171.2	0	0	0	0	0	113.1	A501 Y502 T503 L508 M509 F522	A501-G505 PolarHBondContact O-N 2.94Å; Y502-G505 WeakPolarHBondContact O-CA 3.47Å; Y502-G505 PolarHBondContact O-N 2.86Å; Y502-G505 VanDerWaalsContact O-N 3.11Å; T503-G505 VanDerWaalsContact C-N 3.3Å; T503-G505 PolarHBondContact O-N 3.11Å; G505-L508 PolarHBondContact O-N 3.24Å; G505-M509 WeakPolarHBondContact O-CG 3.35Å; G505-M509 PolarHBondContact O-N 3.28Å; G505-M509 VanDerWaalsContact O-N 3.1Å; G505-F522 WeakPolarHBondContact O-CZ 3.47Å
506	L	96.9	Very high	96.2	Very high	18 Å²	18	33.4 Å²	33.4	9%	0.094	16%	0.158	C	C	.	.	H	α-helix	trans	-61.7	-45.6	173.4	-74.2	169.9	0	0	0	112	Y502 T503 L508 M509 E510 V723 F732	Y502-L506 HydrophobicContact CD1-CD1 4.42Å; Y502-L506 HydrophobicContact CE1-CD1 3.73Å; Y502-L506 HydrophobicContact CE2-CD1 4.3Å; Y502-L506 HydrophobicContact CE2-CG 4.33Å; Y502-L506 PolarHBondContact O-N 2.99Å; T503-L506 WeakPolarHBondContact O-CB 3.22Å; T503-L506 PolarHBondContact O-N 3.14Å; T503-L506 VanDerWaalsContact O-N 3.16Å; L506-L508 VanDerWaalsContact C-N 3.35Å; L506-L508 PolarHBondContact O-N 3.27Å; L506-M509 WeakPolarHBondContact O-CB 3.32Å; L506-M509 PolarHBondContact O-N 3.02Å; L506-E510 PolarHBondContact O-N 2.64Å; L506-V723 HydrophobicContact CD2-CB 4.16Å; L506-V723 HydrophobicContact CD2-CG2 4.09Å; L506-V723 WeakPolarHBondContact CD2-O 3.37Å; L506-V723 HydrophobicContact CG-CB 4.46Å; L506-F732 HydrophobicContact CD1-CE1 3.61Å; L506-F732 HydrophobicContact CD1-CZ 3.63Å
507	E	97	Very high	95.9	Very high	27 Å²	27	37 Å²	37	13%	0.126	18%	0.175	C	C	.	.	H	α-helix	trans	-62.4	-41.6	177.2	-73.3	-171.4	169.1	0	0	111.6	L473 P474 K475 F478 T503 G504 M509 E510 G511	L473-E507 WeakPolarHBondContact CB-OE2 3.34Å; P474-E507 WeakPolarHBondContact CD-OE2 3.38Å; P474-E507 HydrophobicContact CG-CB 3.87Å; K475-E507 HydrophobicContact CB-CB 4.36Å; K475-E507 HydrophobicContact CB-CG 4.15Å; K475-E507 WeakPolarHBondContact CB-OE2 3.39Å; K475-E507 HydrophobicContact CD-CG 4.5Å; K475-E507 PolarHBondContact N-OE2 2.66Å; F478-E507 HydrophobicContact CE1-CB 4.43Å; F478-E507 HydrophobicContact CZ-CB 4.06Å; F478-E507 WeakPolarHBondContact CZ-O 3.35Å; T503-E507 PolarHBondContact O-N 3.2Å; G504-E507 PolarHBondContact O-N 2.62Å; E507-M509 VanDerWaalsContact C-N 3.29Å; E507-M509 PolarHBondContact O-N 3.09Å; E507-E510 PolarHBondContact O-N 2.93Å; E507-E510 VanDerWaalsContact O-N 3.14Å; E507-G511 PolarHBondContact O-N 2.84Å
508	L	96.8	Very high	95.8	Very high	7 Å²	7	37.2 Å²	37.2	4%	0.037	18%	0.176	C	C	.	.	H	α-helix	trans	-57.5	-42.3	173.6	-72.5	175.4	0	0	0	111.7	F440 P474 L493 I495 G504 G505 L506 E510 G511 R512 L518 F522	F440-L508 HydrophobicContact CE1-CD1 3.96Å; F440-L508 HydrophobicContact CE1-CD2 4.44Å; F440-L508 HydrophobicContact CE1-CG 4.26Å; F440-L508 HydrophobicContact CZ-CD1 4.3Å; P474-L508 HydrophobicContact CB-CD2 4.25Å; P474-L508 HydrophobicContact CG-CD2 4.36Å; P474-L508 HydrophobicContact CG-CG 4.25Å; L493-L508 HydrophobicContact CD2-CD1 3.97Å; I495-L508 HydrophobicContact CD1-CD1 3.93Å; G504-L508 VanDerWaalsContact O-CG 3.32Å; G504-L508 WeakPolarHBondContact O-CG 3.46Å; G504-L508 PolarHBondContact O-N 3.19Å; G505-L508 PolarHBondContact O-N 3.24Å; L506-L508 VanDerWaalsContact C-N 3.35Å; L506-L508 PolarHBondContact O-N 3.27Å; L508-E510 PolarHBondContact O-N 3.33Å; L508-G511 PolarHBondContact O-N 3.15Å; L508-R512 WeakPolarHBondContact O-CG 3.35Å; L508-R512 PolarHBondContact O-N 2.84Å; L508-L518 HydrophobicContact CD2-CD2 4.01Å; L508-F522 HydrophobicContact CB-CE1 4.14Å; L508-F522 HydrophobicContact CD1-CD1 4.38Å; L508-F522 HydrophobicContact CD1-CG 4.44Å
509	M	95.3	Very high	95.7	Very high	34 Å²	34	37.1 Å²	37.1	17%	0.167	18%	0.175	C	C	.	.	H	α-helix	trans	-61.9	-41.4	175.1	-68	-67.1	-67.6	0	0	112.3	G505 L506 E507 G511 R512 F522 V723	G505-M509 WeakPolarHBondContact O-CG 3.35Å; G505-M509 PolarHBondContact O-N 3.28Å; G505-M509 VanDerWaalsContact O-N 3.1Å; L506-M509 WeakPolarHBondContact O-CB 3.32Å; L506-M509 PolarHBondContact O-N 3.02Å; E507-M509 VanDerWaalsContact C-N 3.29Å; E507-M509 PolarHBondContact O-N 3.09Å; M509-G511 VanDerWaalsContact C-N 3.34Å; M509-R512 WeakPolarHBondContact O-CB 3.32Å; M509-R512 PolarHBondContact O-N 3.27Å; M509-R512 PolarHBondContact SD-NH1 2.72Å; M509-F522 HydrophobicContact CG-CE1 3.9Å; M509-F522 HydrophobicContact CG-CZ 3.68Å; M509-F522 HydrophobicContact SD-CE1 3.6Å; M509-F522 VanDerWaalsContact SD-CE1 3.6Å; M509-F522 HydrophobicContact SD-CZ 3.84Å; M509-V723 HydrophobicContact CG-CG2 3.53Å; M509-V723 HydrophobicContact SD-CG2 4.48Å
510	E	94.6	Very high	95.6	Very high	89 Å²	89	37.5 Å²	37.5	42%	0.416	18%	0.177	S	C	.	.	H	α-helix	trans	-65.3	-39.6	175.8	-69.1	179.4	178.5	0	0	111.5	L506 E507 L508 R512 K513	L506-E510 PolarHBondContact O-N 2.64Å; E507-E510 PolarHBondContact O-N 2.93Å; E507-E510 VanDerWaalsContact O-N 3.14Å; L508-E510 PolarHBondContact O-N 3.33Å; E510-R512 VanDerWaalsContact C-N 3.26Å; E510-R512 PolarHBondContact O-N 3.18Å; E510-K513 PolarHBondContact O-N 3.23Å
511	G	95	Very high	95.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.4	-23.9	179.5	0	0	0	0	0	114.2	E507 L508 M509 K513 Q514 F515	E507-G511 PolarHBondContact O-N 2.84Å; L508-G511 PolarHBondContact O-N 3.15Å; M509-G511 VanDerWaalsContact C-N 3.34Å; G511-K513 PolarHBondContact O-N 3.15Å; G511-Q514 PolarHBondContact O-N 3.25Å; G511-F515 PolarHBondContact O-N 3.06Å
512	R	94.9	Very high	95.6	Very high	6 Å²	6	36.7 Å²	36.7	2%	0.023	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-22.8	175.8	-72.3	177.4	176.5	-176.2	-3.8	114.3	L508 M509 E510 Q514 L518 I520 A702 T704 S707	L508-R512 WeakPolarHBondContact O-CG 3.35Å; L508-R512 PolarHBondContact O-N 2.84Å; M509-R512 WeakPolarHBondContact O-CB 3.32Å; M509-R512 PolarHBondContact O-N 3.27Å; M509-R512 PolarHBondContact SD-NH1 2.72Å; E510-R512 VanDerWaalsContact C-N 3.26Å; E510-R512 PolarHBondContact O-N 3.18Å; R512-Q514 VanDerWaalsContact C-N 3.27Å; R512-L518 HydrophobicContact CG-CB 4.11Å; R512-L518 WeakPolarHBondContact CG-O 3.3Å; R512-L518 PolarHBondContact NE-O 3.45Å; R512-I520 PolarHBondContact NH2-O 3.44Å; R512-A702 PolarHBondContact NH1-O 3.47Å; R512-A702 VanDerWaalsContact NH1-O 3.11Å; R512-A702 PolarHBondContact NH2-O 3.5Å; R512-T704 PolarHBondContact NH1-O 3.45Å; R512-S707 PolarHBondContact NH1-OG 2.92Å; R512-S707 PolarHBondContact NH2-OG 3.34Å
513	K	92.5	Very high	95.6	Very high	195 Å²	195	36.7 Å²	36.7	85%	0.848	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-22.2	175.1	-62.3	-179.2	-177.5	178.6	0	113.1	E510 G511	E510-K513 PolarHBondContact O-N 3.23Å; G511-K513 PolarHBondContact O-N 3.15Å
514	Q	93.5	Very high	95.7	Very high	141 Å²	141	35.5 Å²	35.5	66%	0.659	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.1	-33	-173.9	-62.1	178	24.2	0	0	112	G511 R512	G511-Q514 PolarHBondContact O-N 3.25Å; R512-Q514 VanDerWaalsContact C-N 3.27Å
515	F	94.1	Very high	95.7	Very high	52 Å²	52	35.5 Å²	35.5	23%	0.228	17%	0.166	C	C	.	.			trans	-131.6	114.6	-175.3	-60.1	-84	0	0	0	110.4	F478 E479 S482 G511 E517 L518	F478-F515 HydrophobicContact CB-CD2 3.9Å; F478-F515 HydrophobicContact CB-CE2 3.57Å; F478-F515 HydrophobicContact CB-CZ 4.29Å; F478-F515 HydrophobicContact CD2-CE2 4.4Å; F478-F515 HydrophobicContact CG-CE2 4.43Å; E479-F515 HydrophobicContact CB-CE1 4.5Å; E479-F515 HydrophobicContact CB-CZ 4.35Å; S482-F515 VanDerWaalsContact OG-CB 3.29Å; S482-F515 WeakPolarHBondContact OG-CB 3.3Å; S482-F515 VanDerWaalsContact OG-CG 3.32Å; S482-F515 WeakPolarHBondContact OG-CG 3.05Å; G511-F515 PolarHBondContact O-N 3.06Å; F515-E517 PolarHBondContact O-N 3.35Å; F515-L518 HydrophobicContact CB-CD1 4Å; F515-L518 HydrophobicContact CB-CG 3.9Å; F515-L518 HydrophobicContact CD2-CD1 4.17Å; F515-L518 HydrophobicContact CG-CD1 4.47Å; F515-L518 PolarHBondContact O-N 2.95Å; F515-L518 VanDerWaalsContact O-N 3.12Å
516	D	93	Very high	95.8	Very high	81 Å²	81	35.5 Å²	35.5	43%	0.433	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-60	-28.8	175.6	-93.6	12.6	0	0	0	111.4	L518 C519 R699	D516-L518 PolarHBondContact O-N 3.22Å; D516-C519 WeakPolarHBondContact O-CB 3.47Å; D516-C519 PolarHBondContact O-N 3.19Å; D516-R699 IonicContact OD2-NH1 3.68Å; D516-R699 PolarHBondContact OD2-NH1 3.41Å; D516-R699 IonicContact OD2-NH2 3.36Å
517	E	92.9	Very high	95.9	Very high	75 Å²	75	34.7 Å²	34.7	35%	0.35	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-62.8	-26.3	178	-62.2	76.4	-170.6	0	0	112.6	I485 T486 F515 C519	I485-E517 HydrophobicContact CG2-CB 4.34Å; I485-E517 WeakPolarHBondContact CG2-O 3.43Å; T486-E517 WeakPolarHBondContact OG1-CG 3.47Å; F515-E517 PolarHBondContact O-N 3.35Å; E517-C519 VanDerWaalsContact C-N 3.26Å; E517-C519 PolarHBondContact O-N 3.49Å
518	L	94.8	Very high	95.9	Very high	4 Å²	4	34 Å²	34	2%	0.021	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-80.5	-8	176.5	-58.9	179.9	0	0	0	112.5	F478 I481 I485 L508 R512 F515 D516 I520	F478-L518 HydrophobicContact CD1-CD1 3.99Å; F478-L518 HydrophobicContact CE1-CD1 4.35Å; F478-L518 HydrophobicContact CG-CD1 4.21Å; I481-L518 HydrophobicContact CG2-CD2 4Å; I485-L518 HydrophobicContact CD1-CD2 3.71Å; L508-L518 HydrophobicContact CD2-CD2 4.01Å; R512-L518 HydrophobicContact CG-CB 4.11Å; R512-L518 WeakPolarHBondContact CG-O 3.3Å; R512-L518 PolarHBondContact NE-O 3.45Å; F515-L518 HydrophobicContact CB-CD1 4Å; F515-L518 HydrophobicContact CB-CG 3.9Å; F515-L518 HydrophobicContact CD2-CD1 4.17Å; F515-L518 HydrophobicContact CG-CD1 4.47Å; F515-L518 PolarHBondContact O-N 2.95Å; F515-L518 VanDerWaalsContact O-N 3.12Å; D516-L518 PolarHBondContact O-N 3.22Å; L518-I520 PolarHBondContact O-N 2.92Å
519	C	95.4	Very high	95.9	Very high	1 Å²	1	34 Å²	34	1%	0.007	16%	0.16	C	C	.	.			trans	-77.5	48.4	174.5	-63.5	0	0	0	0	111.7	D516 E517 F701 A702	D516-C519 WeakPolarHBondContact O-CB 3.47Å; D516-C519 PolarHBondContact O-N 3.19Å; E517-C519 VanDerWaalsContact C-N 3.26Å; E517-C519 PolarHBondContact O-N 3.49Å; C519-F701 HydrophobicContact CB-CD2 3.66Å; C519-F701 HydrophobicContact CB-CE2 3.67Å; C519-F701 HydrophobicContact CB-CG 4.38Å; C519-F701 HydrophobicContact CB-CZ 4.37Å; C519-F701 WeakPolarHBondContact O-CA 3.37Å; C519-A702 PolarHBondContact O-N 3.13Å
520	I	95.7	Very high	96	Very high	14 Å²	14	33 Å²	33	7%	0.072	16%	0.156	C	C	.	.	S	Bend	trans	-107.9	150	169.5	58.6	169.9	0	0	0	109.9	I485 I490 L493 R512 L518 I700	I485-I520 HydrophobicContact CD1-CD1 4.14Å; I485-I520 HydrophobicContact CG1-CD1 4.47Å; I485-I520 HydrophobicContact CG2-CD1 4.3Å; I490-I520 HydrophobicContact CG2-CD1 3.9Å; L493-I520 HydrophobicContact CB-CD1 4.32Å; R512-I520 PolarHBondContact NH2-O 3.44Å; L518-I520 PolarHBondContact O-N 2.92Å; I520-I700 HydrophobicContact CG2-CG2 4.4Å
521	P	97.5	Very high	96.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.138	C	C	.	.			trans	-63.9	137.9	173.1	26.4	-34.1	0	0	0	110.9	Q491 G492 L493 M687 K690 I691 A702 S707	Q491-P521 VanDerWaalsContact O-CD 3.3Å; Q491-P521 WeakPolarHBondContact O-CD 3.38Å; G492-P521 VanDerWaalsContact CA-O 3.28Å; G492-P521 WeakPolarHBondContact CA-O 3.23Å; L493-P521 PolarHBondContact N-O 3.11Å; P521-M687 HydrophobicContact CB-SD 3.96Å; P521-M687 HydrophobicContact CG-SD 3.88Å; P521-K690 HydrophobicContact CB-CB 4.01Å; P521-I691 HydrophobicContact CG-CG1 3.6Å; P521-A702 HydrophobicContact CB-CB 4.48Å; P521-S707 CarbonylContact C-O 3.52Å; P521-S707 VanDerWaalsContact CA-O 3.25Å; P521-S707 WeakPolarHBondContact CA-O 3.47Å
522	F	98.1	Very high	96.3	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.009	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	152.1	172.3	72.7	-95.2	0	0	0	111.8	L493 I495 G505 L508 M509 V524 W686 S707 G708 C709 V723	L493-F522 HydrophobicContact CB-CB 3.91Å; L493-F522 HydrophobicContact CG-CB 4.5Å; L493-F522 CarbonylContact O-C 3.6Å; L493-F522 WeakPolarHBondContact O-CA 3.06Å; L493-F522 WeakPolarHBondContact O-CB 3.28Å; I495-F522 HydrophobicContact CD1-CD2 4.27Å; G505-F522 WeakPolarHBondContact O-CZ 3.47Å; L508-F522 HydrophobicContact CB-CE1 4.14Å; L508-F522 HydrophobicContact CD1-CD1 4.38Å; L508-F522 HydrophobicContact CD1-CG 4.44Å; M509-F522 HydrophobicContact CG-CE1 3.9Å; M509-F522 HydrophobicContact CG-CZ 3.68Å; M509-F522 HydrophobicContact SD-CE1 3.6Å; M509-F522 VanDerWaalsContact SD-CE1 3.6Å; M509-F522 HydrophobicContact SD-CZ 3.84Å; F522-V524 HydrophobicContact CD2-CG2 4.43Å; F522-V524 HydrophobicContact CE2-CG2 4.4Å; F522-W686 WeakPolarHBondContact O-CH2 3.33Å; F522-S707 PolarHBondContact N-O 3.27Å; F522-G708 VanDerWaalsContact CZ-CA 3.42Å; F522-G708 WeakPolarHBondContact O-CA 3.4Å; F522-C709 PolarHBondContact O-N 3.27Å; F522-C709 VanDerWaalsContact O-N 3.15Å; F522-V723 HydrophobicContact CE2-CG1 4.02Å; F522-V723 HydrophobicContact CE2-CG2 4.37Å; F522-V723 HydrophobicContact CZ-CG1 4.45Å; F522-V723 HydrophobicContact CZ-CG2 3.98Å
523	V	98.3	Very high	96.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	134.2	174.8	61.9	0	0	0	0	111	L493 V494 I495 A683 W686 M687 C709 L711 F720	L493-V523 PolarHBondContact O-N 2.91Å; V494-V523 HydrophobicContact CB-CG1 4.36Å; V494-V523 HydrophobicContact CG1-CG1 4.2Å; V494-V523 HydrophobicContact CG2-CG1 3.96Å; I495-V523 PolarHBondContact N-O 2.95Å; V523-A683 HydrophobicContact CG1-CB 3.83Å; V523-A683 HydrophobicContact CG2-CB 4.47Å; V523-W686 HydrophobicContact CB-CE3 4.01Å; V523-W686 HydrophobicContact CB-CH2 4.48Å; V523-W686 HydrophobicContact CB-CZ3 3.73Å; V523-W686 HydrophobicContact CG1-CE3 4.37Å; V523-W686 HydrophobicContact CG1-CZ3 4.35Å; V523-M687 HydrophobicContact CB-CE 4.38Å; V523-M687 HydrophobicContact CG1-CE 3.74Å; V523-C709 CarbonylContact C-O 3.59Å; V523-C709 VanDerWaalsContact CA-O 3.28Å; V523-C709 WeakPolarHBondContact CA-O 3.47Å; V523-L711 HydrophobicContact CG2-CB 3.81Å; V523-F720 HydrophobicContact CG2-CD1 4.12Å; V523-F720 HydrophobicContact CG2-CE1 3.96Å
524	V	98.6	Very high	96.5	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	124.1	173.6	-179.3	0	0	0	0	109.3	I495 A501 F522 P526 C709 V710 L711	I495-V524 HydrophobicContact CB-CG2 4.29Å; I495-V524 HydrophobicContact CD1-CG2 4.41Å; I495-V524 CarbonylContact O-C 3.58Å; I495-V524 VanDerWaalsContact O-CA 3.25Å; I495-V524 WeakPolarHBondContact O-CA 3.35Å; A501-V524 HydrophobicContact CB-CG1 3.91Å; F522-V524 HydrophobicContact CD2-CG2 4.43Å; F522-V524 HydrophobicContact CE2-CG2 4.4Å; V524-P526 WeakPolarHBondContact O-CD 3.41Å; V524-C709 PolarHBondContact N-O 3.08Å; V524-V710 HydrophobicContact CB-CG2 3.96Å; V524-V710 HydrophobicContact CG1-CG2 4.31Å; V524-V710 WeakPolarHBondContact O-CA 3.48Å; V524-L711 PolarHBondContact O-N 3.15Å
525	I	98.5	Very high	96.5	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	111.4	168.4	-61	177.3	0	0	0	107.6	V494 I495 I496 G497 A527 V540 M679 A683	V494-I525 HydrophobicContact CG1-CD1 3.98Å; V494-I525 HydrophobicContact CG1-CG1 4.49Å; I495-I525 PolarHBondContact O-N 3.28Å; I496-I525 WeakPolarHBondContact CA-O 3.35Å; I496-I525 HydrophobicContact CG1-CB 4.07Å; I496-I525 HydrophobicContact CG1-CD1 4.03Å; I496-I525 HydrophobicContact CG1-CG1 4.44Å; G497-I525 PolarHBondContact N-O 2.67Å; I525-A527 PolarHBondContact O-N 3.18Å; I525-V540 HydrophobicContact CG2-CG2 4.47Å; I525-M679 HydrophobicContact CD1-CB 4.34Å; I525-M679 HydrophobicContact CG2-CB 3.81Å; I525-M679 HydrophobicContact CG2-CE 4.29Å; I525-M679 HydrophobicContact CG2-CG 4.42Å; I525-A683 HydrophobicContact CD1-CB 3.71Å; I525-A683 HydrophobicContact CG1-CB 4.11Å
526	P	98.3	Very high	96.6	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	117.5	178.2	-27.5	37.8	0	0	0	112.5	G497 V524 V533 S539 V540 V710 L711	G497-P526 CarbonylContact O-C 3.6Å; G497-P526 WeakPolarHBondContact O-CA 3.11Å; V524-P526 WeakPolarHBondContact O-CD 3.41Å; P526-V533 HydrophobicContact CB-CB 3.91Å; P526-V533 HydrophobicContact CB-CG1 3.94Å; P526-V533 HydrophobicContact CB-CG2 4.21Å; P526-V533 HydrophobicContact CG-CB 4.37Å; P526-V533 HydrophobicContact CG-CG1 3.9Å; P526-S539 WeakPolarHBondContact O-CA 3.45Å; P526-V540 PolarHBondContact O-N 2.98Å; P526-V710 HydrophobicContact CG-CG1 3.6Å; P526-L711 WeakPolarHBondContact CD-O 3.49Å
527	A	98.3	Very high	96.6	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.045	C	C	.	.	B	Isolated β-bridge	trans	-140.2	104.3	178.5	0	0	0	0	0	110.6	M415 I496 G497 G498 I525 V540	M415-A527 HydrophobicContact CE-CB 3.72Å; M415-A527 WeakPolarHBondContact CE-O 3.31Å; M415-A527 HydrophobicContact CG-CB 3.9Å; I496-A527 HydrophobicContact CG2-CB 3.7Å; G497-A527 CarbonylContact C-O 3.48Å; G497-A527 PolarHBondContact O-N 3.38Å; G498-A527 WeakPolarHBondContact CA-O 3.42Å; G498-A527 PolarHBondContact N-O 3.45Å; I525-A527 PolarHBondContact O-N 3.18Å; A527-V540 CarbonylContact C-O 3.53Å; A527-V540 VanDerWaalsContact CA-O 3.28Å; A527-V540 WeakPolarHBondContact CA-O 3.43Å; A527-V540 HydrophobicContact CB-CB 3.92Å; A527-V540 HydrophobicContact CB-CG1 4.47Å
528	T	97.9	Very high	96.6	Very high	13 Å²	13	6.2 Å²	6.2	8%	0.08	4%	0.035	C	C	.	.			trans	-164.2	149.1	-179.1	174.9	0	0	0	0	109	S530 N532 V533 S539 V540	T528-S530 VanDerWaalsContact C-N 3.27Å; T528-S530 PolarHBondContact OG1-N 3.28Å; T528-N532 WeakPolarHBondContact CG2-OD1 3.23Å; T528-V533 HydrophobicContact CG2-CG2 3.8Å; T528-S539 WeakPolarHBondContact CG2-OG 3.35Å; T528-S539 PolarHBondContact O-OG 3.28Å; T528-V540 PolarHBondContact N-O 3.31Å
529	V	97.3	Very high	96.7	Very high	7 Å²	7	6.1 Å²	6.1	4%	0.042	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-28.8	172.4	-60.3	0	0	0	0	111.9	N531 A545 L580 Q664	V529-N531 VanDerWaalsContact C-N 3.3Å; V529-N531 PolarHBondContact O-N 3.4Å; V529-A545 HydrophobicContact CB-CB 3.7Å; V529-A545 HydrophobicContact CG1-CB 3.85Å; V529-L580 HydrophobicContact CB-CD1 4.42Å; V529-L580 HydrophobicContact CG2-CD1 4.46Å; V529-L580 WeakPolarHBondContact O-CD1 3.25Å; V529-L580 WeakPolarHBondContact O-CD2 3.41Å; V529-L580 WeakPolarHBondContact O-CG 3.38Å; V529-Q664 HydrophobicContact CG1-CG 4.32Å
530	S	97.4	Very high	96.9	Very high	14 Å²	14	6 Å²	6	10%	0.098	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-17.1	-171	-53.4	0	0	0	0	114.2	T528 N532 G574 C577	T528-S530 VanDerWaalsContact C-N 3.27Å; T528-S530 PolarHBondContact OG1-N 3.28Å; S530-N532 VanDerWaalsContact C-N 3.26Å; S530-N532 PolarHBondContact O-N 3.01Å; S530-G574 WeakPolarHBondContact CB-O 3.36Å; S530-G574 WeakPolarHBondContact OG-CA 3.45Å; S530-C577 PolarHBondContact O-SG 3.03Å
531	N	97.2	Very high	96.9	Very high	6 Å²	6	5.4 Å²	5.4	3%	0.032	3%	0.031	C	C	.	.			trans	53.9	38.7	-171.2	-158.9	30.2	0	0	0	114.5	V529 D537 F538 S539 A542 Y579	V529-N531 VanDerWaalsContact C-N 3.3Å; V529-N531 PolarHBondContact O-N 3.4Å; N531-D537 PolarHBondContact ND2-O 3.12Å; N531-F538 VanDerWaalsContact OD1-C 3.25Å; N531-F538 WeakPolarHBondContact OD1-CA 3.33Å; N531-S539 VanDerWaalsContact CA-OG 3.28Å; N531-S539 WeakPolarHBondContact CA-OG 3.41Å; N531-S539 PolarHBondContact OD1-N 2.86Å; N531-S539 PolarHBondContact OD1-OG 2.94Å; N531-A542 HydrophobicContact CB-CB 4.13Å; N531-Y579 HydrophobicContact CB-CD1 3.56Å; N531-Y579 HydrophobicContact CB-CD2 4.28Å; N531-Y579 HydrophobicContact CB-CE1 3.98Å; N531-Y579 HydrophobicContact CB-CG 3.74Å; N531-Y579 WeakPolarHBondContact ND2-CD2 3.41Å; N531-Y579 WeakPolarHBondContact ND2-CE2 3.29Å
532	N	97.2	Very high	96.9	Very high	9 Å²	9	5.4 Å²	5.4	5%	0.048	3%	0.031	C	C	.	.			trans	-106.7	15.4	-171.3	73.3	-42.6	0	0	0	114.5	F499 T528 S530 P534 C577 R735 I736	F499-N532 WeakPolarHBondContact CD2-O 3.49Å; T528-N532 WeakPolarHBondContact CG2-OD1 3.23Å; S530-N532 VanDerWaalsContact C-N 3.26Å; S530-N532 PolarHBondContact O-N 3.01Å; N532-P534 WeakPolarHBondContact O-CD 3.48Å; N532-C577 HydrophobicContact CB-CB 3.8Å; N532-R735 PolarHBondContact ND2-O 2.99Å; N532-I736 HydrophobicContact CB-CG2 4.29Å
533	V	96.9	Very high	96.9	Very high	1 Å²	1	5.9 Å²	5.9	1%	0.006	3%	0.034	C	C	.	.			trans	-91.4	121.6	-177.9	-178.7	0	0	0	0	110	P526 T528	P526-V533 HydrophobicContact CB-CB 3.91Å; P526-V533 HydrophobicContact CB-CG1 3.94Å; P526-V533 HydrophobicContact CB-CG2 4.21Å; P526-V533 HydrophobicContact CG-CB 4.37Å; P526-V533 HydrophobicContact CG-CG1 3.9Å; T528-V533 HydrophobicContact CG2-CG2 3.8Å
534	P	96	Very high	96.9	Very high	1 Å²	1	6 Å²	6	1%	0.006	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	146.7	175.8	-25.8	34.8	0	0	0	113	F499 Y502 N532 L726 T730	F499-P534 HydrophobicContact CE2-CG 4.15Å; Y502-P534 HydrophobicContact CD1-CG 4.21Å; Y502-P534 HydrophobicContact CE1-CG 3.97Å; N532-P534 WeakPolarHBondContact O-CD 3.48Å; P534-L726 HydrophobicContact CB-CB 4.33Å; P534-T730 WeakPolarHBondContact CB-OG1 3.31Å; P534-T730 HydrophobicContact CG-CG2 3.84Å; P534-T730 WeakPolarHBondContact CG-OG1 3.42Å
535	G	93.7	Very high	96.9	Very high	3 Å²	3	6 Å²	6	3%	0.031	4%	0.035	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.7	-3.9	178.2	0	0	0	0	0	115.4	Q721	G535-Q721 PolarHBondContact O-NE2 3.26Å
536	S	94.8	Very high	96.8	Very high	9 Å²	9	6.2 Å²	6.2	6%	0.063	4%	0.036	C	C	.	.			trans	-132.7	134	175.6	-159.6	0	0	0	0	112	F538 G712 M713	S536-F538 PolarHBondContact O-N 3.24Å; S536-F538 PolarHBondContact OG-O 2.88Å; S536-G712 WeakPolarHBondContact OG-CA 3.34Å; S536-M713 PolarHBondContact OG-N 3.25Å
537	D	93.3	Very high	96.8	Very high	16 Å²	16	7 Å²	7	9%	0.086	4%	0.039	C	C	.	.	S	Bend	trans	-72.2	-22.6	174	-67.2	-15.3	0	0	0	111.8	N341 N531 M713 R714 K715 W741	N341-D537 PolarHBondContact ND2-OD2 3.45Å; N531-D537 PolarHBondContact ND2-O 3.12Å; D537-M713 WeakPolarHBondContact CB-O 3.5Å; D537-M713 PolarHBondContact N-O 3.37Å; D537-R714 IonicContact OD1-NH1 3.46Å; D537-K715 PolarHBondContact OD2-N 3.48Å; D537-W741 PolarHBondContact O-NE1 2.89Å
538	F	94.1	Very high	96.8	Very high	31 Å²	31	8.7 Å²	8.7	14%	0.136	5%	0.05	C	C	.	.			trans	-141.3	137.8	179.4	-63.3	-93.4	0	0	0	111.3	N341 N531 S536 M713 W741	N341-F538 HydrophobicContact CB-CE2 4.31Å; N531-F538 VanDerWaalsContact OD1-C 3.25Å; N531-F538 WeakPolarHBondContact OD1-CA 3.33Å; S536-F538 PolarHBondContact O-N 3.24Å; S536-F538 PolarHBondContact OG-O 2.88Å; F538-M713 HydrophobicContact CB-CE 4.03Å; F538-M713 HydrophobicContact CD2-CE 3.07Å; F538-M713 HydrophobicContact CE2-CE 3.61Å; F538-M713 HydrophobicContact CG-CE 3.75Å; F538-W741 HydrophobicContact CE1-CH2 4.45Å; F538-W741 AromaticContact CE1-CZ2 3.8Å; F538-W741 HydrophobicContact CE1-CZ2 3.8Å; F538-W741 AromaticContact CE2-CZ2 3.97Å; F538-W741 HydrophobicContact CE2-CZ2 3.97Å; F538-W741 AromaticContact CZ-CH2 3.92Å; F538-W741 HydrophobicContact CZ-CH2 3.92Å; F538-W741 AromaticContact CZ-CZ2 3.38Å; F538-W741 HydrophobicContact CZ-CZ2 3.38Å
539	S	97.1	Very high	96.8	Very high	1 Å²	1	8.1 Å²	8.1	1%	0.007	5%	0.046	C	C	.	.			trans	-108.7	149.1	169	57.3	0	0	0	0	111.4	P526 T528 N531 G541 A542	P526-S539 WeakPolarHBondContact O-CA 3.45Å; T528-S539 WeakPolarHBondContact CG2-OG 3.35Å; T528-S539 PolarHBondContact O-OG 3.28Å; N531-S539 VanDerWaalsContact CA-OG 3.28Å; N531-S539 WeakPolarHBondContact CA-OG 3.41Å; N531-S539 PolarHBondContact OD1-N 2.86Å; N531-S539 PolarHBondContact OD1-OG 2.94Å; S539-G541 PolarHBondContact O-N 2.89Å; S539-A542 WeakPolarHBondContact O-CB 3.24Å; S539-A542 PolarHBondContact O-N 3.09Å
540	V	97.8	Very high	96.7	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.045	C	C	.	.	B	Isolated β-bridge	trans	-58.3	128	172.8	175.5	0	0	0	0	109.6	I525 P526 A527 T528 F675 A676	I525-V540 HydrophobicContact CG2-CG2 4.47Å; P526-V540 PolarHBondContact O-N 2.98Å; A527-V540 CarbonylContact C-O 3.53Å; A527-V540 VanDerWaalsContact CA-O 3.28Å; A527-V540 WeakPolarHBondContact CA-O 3.43Å; A527-V540 HydrophobicContact CB-CB 3.92Å; A527-V540 HydrophobicContact CB-CG1 4.47Å; T528-V540 PolarHBondContact N-O 3.31Å; V540-F675 HydrophobicContact CG2-CD1 3.69Å; V540-F675 HydrophobicContact CG2-CE1 3.97Å; V540-A676 HydrophobicContact CG1-CB 3.81Å; V540-A676 HydrophobicContact CG2-CB 3.98Å
541	G	97.5	Very high	96.6	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.3	-10.7	178.8	0	0	0	0	0	114.8	A413 S539 A545 D672	A413-G541 WeakPolarHBondContact O-CA 3.49Å; A413-G541 PolarHBondContact O-N 2.95Å; S539-G541 PolarHBondContact O-N 2.89Å; G541-A545 WeakPolarHBondContact O-CB 3.37Å; G541-A545 PolarHBondContact O-N 3.21Å; G541-A545 VanDerWaalsContact O-N 3.12Å; G541-D672 WeakPolarHBondContact CA-OD2 3.22Å; G541-D672 PolarHBondContact N-OD1 3.1Å; G541-D672 PolarHBondContact N-OD2 3.31Å
542	A	97.6	Very high	96.6	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.008	6%	0.062	C	C	.	.	H	α-helix	trans	-67.9	-37.9	178.6	0	0	0	0	0	112.1	N531 S539 A545 L546 Y579	N531-A542 HydrophobicContact CB-CB 4.13Å; S539-A542 WeakPolarHBondContact O-CB 3.24Å; S539-A542 PolarHBondContact O-N 3.09Å; A542-A545 PolarHBondContact O-N 3.08Å; A542-L546 WeakPolarHBondContact O-CB 3.43Å; A542-L546 PolarHBondContact O-N 3.29Å; A542-Y579 HydrophobicContact CB-CE1 4.02Å
543	D	97.7	Very high	96.5	Very high	12 Å²	12	10.3 Å²	10.3	6%	0.064	6%	0.06	C	C	.	.	H	α-helix	trans	-70.4	-40.2	178.7	177.7	69.6	0	0	0	112	A545 L546 N547 T669 F671	D543-A545 VanDerWaalsContact C-N 3.32Å; D543-A545 PolarHBondContact O-N 3.34Å; D543-L546 PolarHBondContact O-N 2.9Å; D543-N547 PolarHBondContact O-N 3.19Å; D543-N547 PolarHBondContact O-ND2 2.88Å; D543-N547 PolarHBondContact OD1-ND2 2.98Å; D543-N547 PolarHBondContact OD2-ND2 2.88Å; D543-T669 WeakPolarHBondContact OD2-CB 3.41Å; D543-T669 WeakPolarHBondContact OD2-CG2 3.33Å; D543-T669 PolarHBondContact OD2-OG1 3.17Å; D543-F671 HydrophobicContact CB-CB 4.42Å; D543-F671 HydrophobicContact CB-CD1 3.66Å; D543-F671 HydrophobicContact CB-CE1 4.39Å; D543-F671 HydrophobicContact CB-CG 4.36Å
544	T	98.1	Very high	96.4	Very high	3 Å²	3	11.3 Å²	11.3	2%	0.018	7%	0.065	C	C	.	.	H	α-helix	trans	-60.7	-42.5	173.3	-57.9	0	0	0	0	111.7	A413 T548 P668 T669 D672	A413-T544 HydrophobicContact CB-CG2 3.59Å; T544-T548 WeakPolarHBondContact O-CB 3.35Å; T544-T548 PolarHBondContact O-N 2.93Å; T544-T548 PolarHBondContact O-OG1 2.64Å; T544-P668 WeakPolarHBondContact OG1-CA 3.39Å; T544-T669 HydrophobicContact CG2-CG2 4.35Å; T544-T669 PolarHBondContact OG1-N 2.68Å; T544-T669 PolarHBondContact OG1-OG1 2.75Å; T544-D672 VanDerWaalsContact CB-OD2 3.26Å; T544-D672 WeakPolarHBondContact CB-OD2 3.39Å; T544-D672 PolarHBondContact N-OD2 3.36Å; T544-D672 PolarHBondContact OG1-OD2 3.06Å
545	A	98	Very high	96.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-63	-46.8	175.5	0	0	0	0	0	111.9	V529 G541 A542 D543 N547 T548 I549 L580 Q663	V529-A545 HydrophobicContact CB-CB 3.7Å; V529-A545 HydrophobicContact CG1-CB 3.85Å; G541-A545 WeakPolarHBondContact O-CB 3.37Å; G541-A545 PolarHBondContact O-N 3.21Å; G541-A545 VanDerWaalsContact O-N 3.12Å; A542-A545 PolarHBondContact O-N 3.08Å; D543-A545 VanDerWaalsContact C-N 3.32Å; D543-A545 PolarHBondContact O-N 3.34Å; A545-N547 PolarHBondContact O-N 3.02Å; A545-T548 PolarHBondContact O-N 3.12Å; A545-T548 VanDerWaalsContact O-N 3.16Å; A545-I549 VanDerWaalsContact O-CG1 3.29Å; A545-I549 WeakPolarHBondContact O-CG1 3.24Å; A545-I549 PolarHBondContact O-N 3.19Å; A545-L580 HydrophobicContact CB-CD1 4.46Å; A545-L580 HydrophobicContact CB-CD2 3.92Å; A545-Q663 WeakPolarHBondContact CA-O 3.39Å; A545-Q663 WeakPolarHBondContact CB-O 3.39Å
546	L	97.6	Very high	96.2	Very high	4 Å²	4	19.9 Å²	19.9	2%	0.021	10%	0.098	C	C	.	.	H	α-helix	trans	-58.9	-46.8	178.5	178	60.2	0	0	0	112.2	A307 I311 A542 D543 T548 I549 C550 M583 A584	A307-L546 HydrophobicContact CB-CD1 4.37Å; A307-L546 HydrophobicContact CB-CD2 3.95Å; A307-L546 HydrophobicContact CB-CG 3.61Å; I311-L546 HydrophobicContact CD1-CD2 3.94Å; A542-L546 WeakPolarHBondContact O-CB 3.43Å; A542-L546 PolarHBondContact O-N 3.29Å; D543-L546 PolarHBondContact O-N 2.9Å; L546-T548 VanDerWaalsContact C-N 3.31Å; L546-T548 PolarHBondContact O-N 3.41Å; L546-I549 PolarHBondContact O-N 3.09Å; L546-C550 VanDerWaalsContact O-CB 3.24Å; L546-C550 WeakPolarHBondContact O-CB 3.3Å; L546-C550 PolarHBondContact O-N 3.48Å; L546-M583 HydrophobicContact CD1-CB 3.75Å; L546-M583 HydrophobicContact CD2-CB 4.05Å; L546-A584 VanDerWaalsContact CD1-CA 3.49Å; L546-A584 HydrophobicContact CD1-CB 3.76Å; L546-A584 VanDerWaalsContact CD1-N 3.25Å
547	N	98	Very high	95.9	Very high	15 Å²	15	20.4 Å²	20.4	8%	0.08	10%	0.098	C	C	.	.	H	α-helix	trans	-62.8	-36.7	176.3	-84.9	-74.8	0	0	0	112.4	A307 D543 A545 C550 T551 T669	A307-N547 PolarHBondContact N-OD1 2.58Å; D543-N547 PolarHBondContact O-N 3.19Å; D543-N547 PolarHBondContact O-ND2 2.88Å; D543-N547 PolarHBondContact OD1-ND2 2.98Å; D543-N547 PolarHBondContact OD2-ND2 2.88Å; A545-N547 PolarHBondContact O-N 3.02Å; N547-C550 PolarHBondContact O-N 3.23Å; N547-T551 WeakPolarHBondContact O-CB 3.14Å; N547-T551 PolarHBondContact O-N 2.93Å; N547-T551 PolarHBondContact O-OG1 2.99Å; N547-T669 HydrophobicContact CB-CG2 4.25Å
548	T	97.4	Very high	95.7	Very high	37 Å²	37	26.6 Å²	26.6	23%	0.227	13%	0.127	C	C	.	.	H	α-helix	trans	-67.4	-43.8	177	-56.4	0	0	0	0	111.8	T544 A545 L546 T552 M662	T544-T548 WeakPolarHBondContact O-CB 3.35Å; T544-T548 PolarHBondContact O-N 2.93Å; T544-T548 PolarHBondContact O-OG1 2.64Å; A545-T548 PolarHBondContact O-N 3.12Å; A545-T548 VanDerWaalsContact O-N 3.16Å; L546-T548 VanDerWaalsContact C-N 3.31Å; L546-T548 PolarHBondContact O-N 3.41Å; T548-T552 WeakPolarHBondContact O-CB 3.46Å; T548-T552 PolarHBondContact O-N 3.15Å; T548-T552 PolarHBondContact O-OG1 3.27Å; T548-M662 VanDerWaalsContact CG2-O 3.23Å; T548-M662 WeakPolarHBondContact CG2-O 2.87Å
549	I	97.5	Very high	95.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.6	-48.7	174.7	-61.8	162.1	0	0	0	109.7	A545 L546 T551 T552 C553 T572 L580 A584 L626 L659 Q663	A545-I549 VanDerWaalsContact O-CG1 3.29Å; A545-I549 WeakPolarHBondContact O-CG1 3.24Å; A545-I549 PolarHBondContact O-N 3.19Å; L546-I549 PolarHBondContact O-N 3.09Å; I549-T551 PolarHBondContact O-N 2.95Å; I549-T552 PolarHBondContact O-N 2.87Å; I549-T552 VanDerWaalsContact O-N 3.13Å; I549-C553 PolarHBondContact O-N 3.13Å; I549-C553 PolarHBondContact O-SG 3.44Å; I549-T572 HydrophobicContact CD1-CG2 4.17Å; I549-T572 HydrophobicContact CG2-CG2 3.98Å; I549-L580 HydrophobicContact CD1-CB 3.89Å; I549-L580 HydrophobicContact CD1-CD1 4.18Å; I549-L580 HydrophobicContact CD1-CD2 4.02Å; I549-L580 HydrophobicContact CD1-CG 4.26Å; I549-A584 HydrophobicContact CB-CB 4.04Å; I549-A584 HydrophobicContact CG2-CB 3.42Å; I549-A584 VanDerWaalsContact CG2-CB 3.42Å; I549-L626 HydrophobicContact CG2-CD2 4.33Å; I549-L659 HydrophobicContact CB-CD1 4.24Å; I549-L659 HydrophobicContact CG1-CD1 3.98Å; I549-L659 HydrophobicContact CG2-CD1 3.88Å; I549-Q663 HydrophobicContact CD1-CG 4.26Å; I549-Q663 VanDerWaalsContact CD1-OE1 3.3Å; I549-Q663 HydrophobicContact CG1-CB 4.47Å; I549-Q663 HydrophobicContact CG1-CG 3.76Å
550	C	96.5	Very high	94.8	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.007	14%	0.143	C	C	.	.	H	α-helix	trans	-57.3	-49.4	-179.1	-168.8	0	0	0	0	112	A307 R310 L546 N547 T552 C553 D554	A307-C550 HydrophobicContact CB-CB 3.97Å; R310-C550 PolarHBondContact NH1-SG 3.24Å; L546-C550 VanDerWaalsContact O-CB 3.24Å; L546-C550 WeakPolarHBondContact O-CB 3.3Å; L546-C550 PolarHBondContact O-N 3.48Å; N547-C550 PolarHBondContact O-N 3.23Å; C550-T552 VanDerWaalsContact C-N 3.29Å; C550-T552 PolarHBondContact O-N 2.67Å; C550-C553 WeakPolarHBondContact O-CB 3.36Å; C550-C553 PolarHBondContact O-N 2.94Å; C550-D554 PolarHBondContact O-N 2.85Å
551	T	95.4	Very high	93.9	Very high	60 Å²	60	30.5 Å²	30.5	37%	0.368	16%	0.161	S	C	.	.	H	α-helix	trans	-61.9	-37.6	177.1	-56.8	0	0	0	0	111.9	N547 I549 D554 R555	N547-T551 WeakPolarHBondContact O-CB 3.14Å; N547-T551 PolarHBondContact O-N 2.93Å; N547-T551 PolarHBondContact O-OG1 2.99Å; I549-T551 PolarHBondContact O-N 2.95Å; T551-D554 PolarHBondContact O-N 3.21Å; T551-R555 WeakPolarHBondContact O-CG 3.31Å; T551-R555 PolarHBondContact O-N 3.02Å
552	T	95.8	Very high	93.1	Very high	22 Å²	22	33.6 Å²	33.6	14%	0.135	19%	0.193	C	C	.	.	H	α-helix	trans	-69.1	-41.4	177.3	-54.5	0	0	0	0	111.4	T548 I549 C550 D554 R555 I556 L659	T548-T552 WeakPolarHBondContact O-CB 3.46Å; T548-T552 PolarHBondContact O-N 3.15Å; T548-T552 PolarHBondContact O-OG1 3.27Å; I549-T552 PolarHBondContact O-N 2.87Å; I549-T552 VanDerWaalsContact O-N 3.13Å; C550-T552 VanDerWaalsContact C-N 3.29Å; C550-T552 PolarHBondContact O-N 2.67Å; T552-D554 VanDerWaalsContact C-N 3.29Å; T552-D554 PolarHBondContact O-N 3.34Å; T552-R555 PolarHBondContact O-N 3.34Å; T552-I556 HydrophobicContact CG2-CD1 3.94Å; T552-I556 VanDerWaalsContact O-CG1 3.31Å; T552-I556 WeakPolarHBondContact O-CG1 3.2Å; T552-I556 PolarHBondContact O-N 3.39Å; T552-L659 HydrophobicContact CG2-CD2 3.51Å
553	C	95.6	Very high	92.2	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-57.6	-41.1	172.4	-71.5	0	0	0	0	111.7	I549 C550 I556 K557 I570 A588 L624	I549-C553 PolarHBondContact O-N 3.13Å; I549-C553 PolarHBondContact O-SG 3.44Å; C550-C553 WeakPolarHBondContact O-CB 3.36Å; C550-C553 PolarHBondContact O-N 2.94Å; C553-I556 PolarHBondContact O-N 3.33Å; C553-K557 WeakPolarHBondContact O-CB 3.49Å; C553-K557 VanDerWaalsContact O-CG 3.29Å; C553-K557 WeakPolarHBondContact O-CG 3.5Å; C553-K557 PolarHBondContact O-N 3.18Å; C553-I570 HydrophobicContact CB-CD1 4.48Å; C553-I570 VanDerWaalsContact SG-CD1 3.56Å; C553-A588 HydrophobicContact CB-CB 3.71Å; C553-L624 HydrophobicContact CB-CD2 4.08Å
554	D	94	Very high	91.4	Very high	21 Å²	21	43 Å²	43	11%	0.112	24%	0.24	C	C	.	.	H	α-helix	trans	-63	-44.9	177.7	-68	-22.9	0	0	0	112.2	Q78 R310 C550 T551 T552 I556 K557 Q558	Q78-D554 WeakPolarHBondContact CB-OD2 3.41Å; R310-D554 IonicContact CZ-OD1 3.05Å; R310-D554 IonicContact CZ-OD2 3.77Å; R310-D554 VanDerWaalsContact NH1-CG 3.31Å; R310-D554 IonicContact NH1-OD1 2.68Å; R310-D554 PolarHBondContact NH1-OD1 3.5Å; R310-D554 IonicContact NH1-OD2 3.65Å; R310-D554 PolarHBondContact NH1-OD2 3.48Å; R310-D554 IonicContact NH2-OD2 2.71Å; R310-D554 PolarHBondContact NH2-OD2 2.75Å; C550-D554 PolarHBondContact O-N 2.85Å; T551-D554 PolarHBondContact O-N 3.21Å; T552-D554 VanDerWaalsContact C-N 3.29Å; T552-D554 PolarHBondContact O-N 3.34Å; D554-I556 VanDerWaalsContact C-N 3.3Å; D554-I556 PolarHBondContact O-N 2.7Å; D554-K557 WeakPolarHBondContact O-CB 3.19Å; D554-K557 PolarHBondContact O-N 3.27Å; D554-Q558 PolarHBondContact O-N 2.91Å
555	R	93.4	Very high	91	Very high	172 Å²	172	49 Å²	49	65%	0.649	26%	0.262	S	S	*	.	H	α-helix	trans	-60.5	-41.6	175.8	-67.7	173	-177.5	177.5	0.9	111.5	T551 T552 Q558 S559	T551-R555 WeakPolarHBondContact O-CG 3.31Å; T551-R555 PolarHBondContact O-N 3.02Å; T552-R555 PolarHBondContact O-N 3.34Å; R555-Q558 PolarHBondContact O-N 3.36Å; R555-S559 PolarHBondContact O-N 3.03Å; R555-S559 VanDerWaalsContact O-N 3.1Å
556	I	92.4	Very high	90.7	Very high	13 Å²	13	51.1 Å²	51.1	7%	0.067	27%	0.27	C	S	.	.	H	α-helix	trans	-65.7	-42.9	176.2	-70	166.1	0	0	0	110.9	T552 C553 D554 Q558 S559 A560 F568 I570 N657	T552-I556 HydrophobicContact CG2-CD1 3.94Å; T552-I556 VanDerWaalsContact O-CG1 3.31Å; T552-I556 WeakPolarHBondContact O-CG1 3.2Å; T552-I556 PolarHBondContact O-N 3.39Å; C553-I556 PolarHBondContact O-N 3.33Å; D554-I556 VanDerWaalsContact C-N 3.3Å; D554-I556 PolarHBondContact O-N 2.7Å; I556-Q558 VanDerWaalsContact C-N 3.32Å; I556-Q558 PolarHBondContact O-N 3.3Å; I556-S559 WeakPolarHBondContact O-CB 3.37Å; I556-S559 PolarHBondContact O-N 2.85Å; I556-A560 PolarHBondContact O-N 2.95Å; I556-F568 HydrophobicContact CG2-CB 3.66Å; I556-F568 HydrophobicContact CG2-CD1 3.39Å; I556-F568 HydrophobicContact CG2-CD2 3.46Å; I556-F568 VanDerWaalsContact CG2-CD2 3.46Å; I556-F568 HydrophobicContact CG2-CE1 3.77Å; I556-F568 HydrophobicContact CG2-CE2 3.84Å; I556-F568 HydrophobicContact CG2-CG 3.2Å; I556-F568 HydrophobicContact CG2-CZ 3.97Å; I556-I570 HydrophobicContact CD1-CD1 3.45Å; I556-I570 VanDerWaalsContact CD1-CD1 3.45Å; I556-I570 HydrophobicContact CD1-CG1 4.1Å; I556-I570 HydrophobicContact CG2-CD1 4.4Å; I556-N657 HydrophobicContact CD1-CB 4.33Å; I556-N657 WeakPolarHBondContact CD1-ND2 3.49Å
557	K	89.8	Confident	90.6	Very high	19 Å²	19	51 Å²	51	8%	0.083	27%	0.269	C	S	.	.	H	α-helix	trans	-61.8	-39.2	176.2	-78.2	-179.5	176.9	-147	0	112.3	M75 C553 D554 S559 A560 A561 A588 G589 L624	M75-K557 HydrophobicContact CE-CB 4.26Å; C553-K557 WeakPolarHBondContact O-CB 3.49Å; C553-K557 VanDerWaalsContact O-CG 3.29Å; C553-K557 WeakPolarHBondContact O-CG 3.5Å; C553-K557 PolarHBondContact O-N 3.18Å; D554-K557 WeakPolarHBondContact O-CB 3.19Å; D554-K557 PolarHBondContact O-N 3.27Å; K557-S559 VanDerWaalsContact C-N 3.35Å; K557-A560 WeakPolarHBondContact O-CB 3.22Å; K557-A560 PolarHBondContact O-N 3.25Å; K557-A561 PolarHBondContact O-N 3.47Å; K557-A588 WeakPolarHBondContact CE-O 3.4Å; K557-A588 PolarHBondContact NZ-O 3.21Å; K557-G589 PolarHBondContact NZ-O 2.99Å; K557-L624 HydrophobicContact CD-CD2 4.41Å; K557-L624 HydrophobicContact CG-CD2 4.5Å
558	Q	87.7	Confident	90.5	Very high	146 Å²	146	51.1 Å²	51.1	68%	0.682	27%	0.269	S	S	*	.	H	α-helix	trans	-62.5	-43.1	174.5	-172.5	176.6	2.8	0	0	111.1	D554 R555 I556 A561 G562	D554-Q558 PolarHBondContact O-N 2.91Å; R555-Q558 PolarHBondContact O-N 3.36Å; I556-Q558 VanDerWaalsContact C-N 3.32Å; I556-Q558 PolarHBondContact O-N 3.3Å; Q558-A561 PolarHBondContact O-N 2.89Å; Q558-G562 PolarHBondContact O-N 2.87Å
559	S	88	Confident	90.5	Very high	65 Å²	65	49.4 Å²	49.4	46%	0.455	26%	0.258	S	S	.	.	H	α-helix	trans	-59.9	-45	172.7	-180	0	0	0	0	112.2	R555 I556 K557 A561 G562	R555-S559 PolarHBondContact O-N 3.03Å; R555-S559 VanDerWaalsContact O-N 3.1Å; I556-S559 WeakPolarHBondContact O-CB 3.37Å; I556-S559 PolarHBondContact O-N 2.85Å; K557-S559 VanDerWaalsContact C-N 3.35Å; S559-A561 VanDerWaalsContact C-N 3.3Å; S559-A561 PolarHBondContact O-N 3.17Å; S559-G562 PolarHBondContact O-N 2.9Å
560	A	84.6	Confident	90.5	Very high	2 Å²	2	49.4 Å²	49.4	2%	0.017	26%	0.258	C	S	.	.	H	α-helix	trans	-61.7	-36.2	177.4	0	0	0	0	0	113.1	I556 K557 G562 K564 R566 F568 R622	I556-A560 PolarHBondContact O-N 2.95Å; K557-A560 WeakPolarHBondContact O-CB 3.22Å; K557-A560 PolarHBondContact O-N 3.25Å; A560-G562 VanDerWaalsContact C-N 3.28Å; A560-G562 PolarHBondContact O-N 3.49Å; A560-K564 PolarHBondContact O-N 3.05Å; A560-K564 VanDerWaalsContact O-N 3.15Å; A560-R566 HydrophobicContact CB-CB 4.46Å; A560-F568 HydrophobicContact CB-CD2 3.93Å; A560-F568 HydrophobicContact CB-CE2 3.65Å; A560-R622 HydrophobicContact CB-CB 4.12Å
561	A	79.5	Confident	90.5	Very high	47 Å²	47	51 Å²	51	39%	0.388	27%	0.266	S	S	.	.	H	α-helix	trans	-64.7	-32.9	179.6	0	0	0	0	0	112.4	K557 Q558 S559	K557-A561 PolarHBondContact O-N 3.47Å; Q558-A561 PolarHBondContact O-N 2.89Å; S559-A561 VanDerWaalsContact C-N 3.3Å; S559-A561 PolarHBondContact O-N 3.17Å
562	G	79.9	Confident	90.6	Very high	66 Å²	66	48.2 Å²	48.2	68%	0.68	25%	0.249	S	C	*	.	H	α-helix	trans	-70.4	-42.6	179.2	0	0	0	0	0	113.8	Q558 S559 A560	Q558-G562 PolarHBondContact O-N 2.87Å; S559-G562 PolarHBondContact O-N 2.9Å; A560-G562 VanDerWaalsContact C-N 3.28Å; A560-G562 PolarHBondContact O-N 3.49Å
563	T	80.3	Confident	90.7	Very high	73 Å²	73	48.4 Å²	48.4	45%	0.448	25%	0.248	S	C	.	.	H	α-helix	trans	-85.4	-19.5	-177.5	53.8	0	0	0	0	114	R566	T563-R566 PolarHBondContact OG1-NE 3.47Å; T563-R566 PolarHBondContact OG1-NH1 3.26Å; T563-R566 VanDerWaalsContact OG1-NH1 3.16Å
564	K	80.1	Confident	90.7	Very high	138 Å²	138	48.4 Å²	48.4	60%	0.6	25%	0.248	S	C	*	.			trans	57.1	162.3	-169.2	-55.6	178.7	-177.5	173.5	0	112.1	A560 R566 K621	A560-K564 PolarHBondContact O-N 3.05Å; A560-K564 VanDerWaalsContact O-N 3.15Å; K564-R566 PolarHBondContact O-N 3.45Å; K564-K621 HydrophobicContact CB-CB 4.43Å
565	R	89.5	Confident	90.8	Very high	129 Å²	129	48.3 Å²	48.3	49%	0.487	25%	0.252	S	S	.	.	S	Bend	trans	49	50.4	175.6	-65.5	178	172.3	178.9	1.6	113.5	K621 I651 F652 D653	R565-K621 WeakPolarHBondContact CA-O 3.38Å; R565-K621 HydrophobicContact CG-CB 4.16Å; R565-K621 HydrophobicContact CG-CD 4.24Å; R565-K621 PolarHBondContact N-O 3.24Å; R565-I651 WeakPolarHBondContact CD-O 3.17Å; R565-F652 HydrophobicContact CB-CB 4.4Å; R565-F652 CarbonylContact O-C 3.41Å; R565-F652 VanDerWaalsContact O-CA 3.26Å; R565-F652 WeakPolarHBondContact O-CA 3.45Å; R565-F652 VanDerWaalsContact O-CB 3.32Å; R565-F652 WeakPolarHBondContact O-CB 3.29Å; R565-D653 PolarHBondContact O-N 2.81Å
566	R	92.5	Very high	91	Very high	44 Å²	44	42.2 Å²	42.2	17%	0.166	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	135	-179.2	-170.8	168	-72.6	167.3	-1.2	112.5	A560 T563 K564 F568 R622 G623 D653	A560-R566 HydrophobicContact CB-CB 4.46Å; T563-R566 PolarHBondContact OG1-NE 3.47Å; T563-R566 PolarHBondContact OG1-NH1 3.26Å; T563-R566 VanDerWaalsContact OG1-NH1 3.16Å; K564-R566 PolarHBondContact O-N 3.45Å; R566-F568 HydrophobicContact CG-CD2 4.05Å; R566-F568 HydrophobicContact CG-CE2 3.66Å; R566-F568 HydrophobicContact CG-CZ 4.29Å; R566-R622 CarbonylContact O-C 3.51Å; R566-R622 VanDerWaalsContact O-CA 3.32Å; R566-R622 WeakPolarHBondContact O-CA 3.48Å; R566-G623 PolarHBondContact O-N 3.04Å; R566-D653 CarbonylContact C-O 3.53Å; R566-D653 VanDerWaalsContact CA-O 3.27Å; R566-D653 WeakPolarHBondContact CA-O 3.43Å
567	V	94.5	Very high	91.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	131.8	173.1	-178.8	0	0	0	0	109.2	L612 M616 G623 V625 Y644 F652 D653 S654 R655	V567-L612 HydrophobicContact CG1-CD1 3.92Å; V567-L612 HydrophobicContact CG2-CD1 4.13Å; V567-M616 HydrophobicContact CG2-CE 3.4Å; V567-M616 VanDerWaalsContact CG2-CE 3.4Å; V567-G623 WeakPolarHBondContact CA-O 3.16Å; V567-V625 HydrophobicContact CG1-CG2 4.21Å; V567-Y644 HydrophobicContact CG1-CD1 4.13Å; V567-Y644 HydrophobicContact CG1-CE1 4.45Å; V567-F652 HydrophobicContact CB-CD2 4Å; V567-F652 HydrophobicContact CB-CE2 4.06Å; V567-F652 HydrophobicContact CG2-CB 4.38Å; V567-F652 HydrophobicContact CG2-CD1 4.25Å; V567-F652 HydrophobicContact CG2-CD2 3.36Å; V567-F652 HydrophobicContact CG2-CE1 4.37Å; V567-F652 HydrophobicContact CG2-CE2 3.53Å; V567-F652 HydrophobicContact CG2-CG 3.75Å; V567-F652 HydrophobicContact CG2-CZ 4.04Å; V567-D653 PolarHBondContact N-O 3.17Å; V567-S654 CarbonylContact O-C 3.38Å; V567-S654 VanDerWaalsContact O-CA 3.31Å; V567-S654 WeakPolarHBondContact O-CA 3.25Å; V567-R655 PolarHBondContact O-N 3.02Å
568	F	95.8	Very high	91.6	Very high	19 Å²	19	40.7 Å²	40.7	8%	0.083	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	129.3	173	-79.6	-90.3	0	0	0	110.9	I556 A560 R566 G623 L624 V625 R655	I556-F568 HydrophobicContact CG2-CB 3.66Å; I556-F568 HydrophobicContact CG2-CD1 3.39Å; I556-F568 HydrophobicContact CG2-CD2 3.46Å; I556-F568 VanDerWaalsContact CG2-CD2 3.46Å; I556-F568 HydrophobicContact CG2-CE1 3.77Å; I556-F568 HydrophobicContact CG2-CE2 3.84Å; I556-F568 HydrophobicContact CG2-CG 3.2Å; I556-F568 HydrophobicContact CG2-CZ 3.97Å; A560-F568 HydrophobicContact CB-CD2 3.93Å; A560-F568 HydrophobicContact CB-CE2 3.65Å; R566-F568 HydrophobicContact CG-CD2 4.05Å; R566-F568 HydrophobicContact CG-CE2 3.66Å; R566-F568 HydrophobicContact CG-CZ 4.29Å; F568-G623 PolarHBondContact N-O 3.12Å; F568-L624 HydrophobicContact CB-CD1 3.96Å; F568-V625 PolarHBondContact O-N 2.93Å; F568-R655 CarbonylContact C-O 3.4Å; F568-R655 VanDerWaalsContact CA-O 3.31Å; F568-R655 WeakPolarHBondContact CA-O 3.27Å; F568-R655 HydrophobicContact CD1-CB 3.6Å; F568-R655 HydrophobicContact CE1-CB 3.48Å; F568-R655 VanDerWaalsContact CE1-CB 3.48Å; F568-R655 HydrophobicContact CE1-CG 4.09Å; F568-R655 HydrophobicContact CG-CB 4.37Å; F568-R655 HydrophobicContact CZ-CB 4.17Å; F568-R655 HydrophobicContact CZ-CG 4.36Å
569	I	97	Very high	92.1	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	114.6	171.8	-60.4	155.3	0	0	0	107.1	V625 T637 I640 F641 Y644 R655 K656 N657	I569-V625 CarbonylContact C-O 3.54Å; I569-V625 WeakPolarHBondContact CA-O 3.37Å; I569-V625 HydrophobicContact CG1-CB 4.27Å; I569-T637 HydrophobicContact CG2-CG2 4.18Å; I569-I640 HydrophobicContact CD1-CB 4.49Å; I569-I640 HydrophobicContact CD1-CG2 3.84Å; I569-I640 HydrophobicContact CG1-CG2 4.28Å; I569-I640 HydrophobicContact CG2-CG2 4.35Å; I569-F641 HydrophobicContact CD1-CB 3.93Å; I569-Y644 HydrophobicContact CD1-CD1 4.47Å; I569-Y644 HydrophobicContact CD1-CG 4.34Å; I569-R655 PolarHBondContact N-O 3.4Å; I569-K656 CarbonylContact O-C 3.6Å; I569-K656 VanDerWaalsContact O-CA 3.31Å; I569-K656 WeakPolarHBondContact O-CA 3.34Å; I569-N657 PolarHBondContact O-N 2.82Å
570	I	97.3	Very high	92.5	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	119.9	-175.2	-60.3	-176.9	0	0	0	109.3	C553 I556 L624 V625 L626 R627 N657 L659	C553-I570 HydrophobicContact CB-CD1 4.48Å; C553-I570 VanDerWaalsContact SG-CD1 3.56Å; I556-I570 HydrophobicContact CD1-CD1 3.45Å; I556-I570 VanDerWaalsContact CD1-CD1 3.45Å; I556-I570 HydrophobicContact CD1-CG1 4.1Å; I556-I570 HydrophobicContact CG2-CD1 4.4Å; I570-L624 HydrophobicContact CD1-CD1 3.41Å; I570-L624 VanDerWaalsContact CD1-CD1 3.41Å; I570-L624 HydrophobicContact CG1-CD1 3.96Å; I570-V625 PolarHBondContact N-O 3.07Å; I570-L626 CarbonylContact O-C 3.09Å; I570-L626 WeakPolarHBondContact O-CA 3.4Å; I570-R627 PolarHBondContact O-N 3.4Å; I570-N657 CarbonylContact C-O 3.52Å; I570-N657 WeakPolarHBondContact CA-O 3.14Å; I570-N657 HydrophobicContact CG1-CB 4.49Å; I570-L659 HydrophobicContact CG2-CD1 3.69Å; I570-L659 HydrophobicContact CG2-CD2 4Å; I570-L659 HydrophobicContact CG2-CG 3.65Å
571	E	98.2	Very high	93.1	Very high	36 Å²	36	30.9 Å²	30.9	17%	0.168	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	121.3	172.7	-169.1	177.7	108.5	0	0	110.6	R627 E629 T637 N657 V658 L659	E571-R627 CarbonylContact C-O 3.52Å; E571-R627 VanDerWaalsContact CA-O 3.28Å; E571-R627 WeakPolarHBondContact CA-O 3.49Å; E571-R627 IonicContact OE2-CZ 2.75Å; E571-R627 IonicContact OE2-NH1 3.6Å; E571-R627 PolarHBondContact OE2-NH1 3.33Å; E571-E629 HydrophobicContact CG-CB 4.2Å; E571-T637 WeakPolarHBondContact OE2-CB 3.4Å; E571-T637 PolarHBondContact OE2-OG1 2.98Å; E571-N657 PolarHBondContact N-O 3.48Å; E571-V658 HydrophobicContact CB-CB 4.39Å; E571-V658 HydrophobicContact CB-CG1 4.32Å; E571-V658 HydrophobicContact CB-CG2 4.05Å; E571-L659 PolarHBondContact O-N 3.08Å
572	T	97.8	Very high	94	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	151.9	172.3	66.1	0	0	0	0	110.8	I549 A581 L626 R627 E629 Q663	I549-T572 HydrophobicContact CD1-CG2 4.17Å; I549-T572 HydrophobicContact CG2-CG2 3.98Å; T572-A581 WeakPolarHBondContact OG1-CB 3.37Å; T572-L626 HydrophobicContact CG2-CD2 3.87Å; T572-R627 PolarHBondContact N-O 3.26Å; T572-E629 WeakPolarHBondContact O-CB 3.32Å; T572-E629 PolarHBondContact O-N 3.24Å; T572-Q663 VanDerWaalsContact CA-OE1 3.27Å
573	M	97.3	Very high	94.8	Very high	25 Å²	25	26 Å²	26	12%	0.123	12%	0.12	C	C	.	.			trans	-68.5	-180	167.6	-77.8	173.5	85.4	0	0	110.5	L580 G660 Q663	M573-L580 HydrophobicContact CB-CD1 4.44Å; M573-G660 VanDerWaalsContact SD-O 3.39Å; M573-Q663 VanDerWaalsContact CG-NE2 3.29Å; M573-Q663 HydrophobicContact SD-CB 4.25Å
574	G	95.7	Very high	95.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	10%	0.099	C	C	.	.			trans	146.7	-2.4	171.9	0	0	0	0	0	113.2	S530 Y576 C577 E629	S530-G574 WeakPolarHBondContact CB-O 3.36Å; S530-G574 WeakPolarHBondContact OG-CA 3.45Å; G574-Y576 PolarHBondContact O-N 3.35Å; G574-C577 VanDerWaalsContact O-CB 3.31Å; G574-C577 WeakPolarHBondContact O-CB 3.44Å; G574-C577 PolarHBondContact O-N 3.33Å; G574-E629 PolarHBondContact N-OE1 3.34Å
575	G	96.3	Very high	96.3	Very high	19 Å²	19	15.9 Å²	15.9	20%	0.196	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	-132.2	-160.5	0	0	0	0	0	108.8	C577 N628 E629 K630	G575-C577 VanDerWaalsContact C-N 3.28Å; G575-N628 PolarHBondContact O-ND2 3.36Å; G575-N628 PolarHBondContact O-OD1 3.09Å; G575-E629 WeakPolarHBondContact CA-OE1 3.46Å; G575-E629 PolarHBondContact N-OE1 2.75Å; G575-K630 WeakPolarHBondContact O-CB 3.45Å
576	Y	97.1	Very high	96.6	Very high	45 Å²	45	10 Å²	10	18%	0.176	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	0.2	172.7	-63.7	-86.4	0	0	0	113.5	G574 F596 K630 H734	G574-Y576 PolarHBondContact O-N 3.35Å; Y576-F596 HydrophobicContact CD1-CB 4.38Å; Y576-F596 HydrophobicContact CD1-CD1 4.23Å; Y576-F596 AromaticContact CD1-CD2 3.61Å; Y576-F596 HydrophobicContact CD1-CD2 3.61Å; Y576-F596 HydrophobicContact CD1-CE1 4.46Å; Y576-F596 AromaticContact CD1-CE2 3.87Å; Y576-F596 HydrophobicContact CD1-CE2 3.87Å; Y576-F596 AromaticContact CD1-CG 3.81Å; Y576-F596 HydrophobicContact CD1-CG 3.81Å; Y576-F596 HydrophobicContact CD1-CZ 4.3Å; Y576-F596 HydrophobicContact CE1-CD2 4.25Å; Y576-F596 HydrophobicContact CE1-CE2 4.25Å; Y576-F596 HydrophobicContact CG-CG 4.44Å; Y576-F596 WeakPolarHBondContact O-CB 3.29Å; Y576-K630 HydrophobicContact CD1-CB 3.76Å; Y576-K630 HydrophobicContact CD1-CD 4.35Å; Y576-K630 WeakPolarHBondContact CD1-O 3.49Å; Y576-K630 HydrophobicContact CD2-CB 4.49Å; Y576-K630 HydrophobicContact CD2-CD 3.77Å; Y576-K630 HydrophobicContact CE1-CB 3.85Å; Y576-K630 HydrophobicContact CE1-CD 4.07Å; Y576-K630 HydrophobicContact CE2-CD 3.44Å; Y576-K630 VanDerWaalsContact CE2-CD 3.44Å; Y576-K630 HydrophobicContact CG-CB 4.11Å; Y576-K630 HydrophobicContact CG-CD 4.22Å; Y576-H734 HydrophobicContact CD1-CB 4.49Å; Y576-H734 AromaticContact CD1-CD2 3.82Å; Y576-H734 HydrophobicContact CD2-CB 4.05Å; Y576-H734 VanDerWaalsContact CD2-O 3.23Å; Y576-H734 WeakPolarHBondContact CD2-O 3.39Å; Y576-H734 AromaticContact CE1-CD2 3.84Å; Y576-H734 HydrophobicContact CG-CB 3.92Å
577	C	97.4	Very high	96.8	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.041	C	C	.	.			trans	-86.7	118.9	177.4	-175	0	0	0	0	111.1	S530 N532 G574 G575 Y579 E597 N628 I736 Q740	S530-C577 PolarHBondContact O-SG 3.03Å; N532-C577 HydrophobicContact CB-CB 3.8Å; G574-C577 VanDerWaalsContact O-CB 3.31Å; G574-C577 WeakPolarHBondContact O-CB 3.44Å; G574-C577 PolarHBondContact O-N 3.33Å; G575-C577 VanDerWaalsContact C-N 3.28Å; C577-Y579 PolarHBondContact O-N 3.34Å; C577-E597 WeakPolarHBondContact CA-OE1 3.46Å; C577-N628 PolarHBondContact O-ND2 3.27Å; C577-I736 HydrophobicContact CB-CG2 3.82Å; C577-Q740 PolarHBondContact SG-OE1 3.41Å
578	G	97.3	Very high	96.8	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.041	C	C	.	.			trans	-77.6	3.7	179.5	0	0	0	0	0	115.7	L580 A581 T582 E597	G578-L580 PolarHBondContact O-N 2.95Å; G578-A581 PolarHBondContact O-N 3.14Å; G578-T582 WeakPolarHBondContact O-CB 3.34Å; G578-T582 PolarHBondContact O-N 3.15Å; G578-T582 PolarHBondContact O-OG1 3.43Å; G578-T582 VanDerWaalsContact O-OG1 3.09Å; G578-E597 WeakPolarHBondContact CA-OE2 3.42Å; G578-E597 VanDerWaalsContact N-CD 3.34Å; G578-E597 PolarHBondContact N-OE1 2.8Å; G578-E597 PolarHBondContact N-OE2 3.36Å
579	Y	97.4	Very high	96.7	Very high	6 Å²	6	7.7 Å²	7.7	2%	0.024	4%	0.044	C	C	.	.	H	α-helix	trans	-53.5	-53.9	-175.1	174.4	-99.3	0	0	0	112.1	N531 A542 C577 A581 T582 M583 W741 W742	N531-Y579 HydrophobicContact CB-CD1 3.56Å; N531-Y579 HydrophobicContact CB-CD2 4.28Å; N531-Y579 HydrophobicContact CB-CE1 3.98Å; N531-Y579 HydrophobicContact CB-CG 3.74Å; N531-Y579 WeakPolarHBondContact ND2-CD2 3.41Å; N531-Y579 WeakPolarHBondContact ND2-CE2 3.29Å; A542-Y579 HydrophobicContact CB-CE1 4.02Å; C577-Y579 PolarHBondContact O-N 3.34Å; Y579-A581 PolarHBondContact O-N 3.43Å; Y579-T582 PolarHBondContact O-N 3.03Å; Y579-M583 HydrophobicContact CD2-CG 3.73Å; Y579-M583 HydrophobicContact CE1-CG 4.36Å; Y579-M583 HydrophobicContact CE2-CE 4.37Å; Y579-M583 HydrophobicContact CE2-CG 3.54Å; Y579-M583 HydrophobicContact CE2-SD 4.41Å; Y579-M583 HydrophobicContact CG-CG 4.27Å; Y579-M583 VanDerWaalsContact O-CB 3.32Å; Y579-M583 WeakPolarHBondContact O-CB 3.34Å; Y579-M583 VanDerWaalsContact O-CG 3.25Å; Y579-M583 WeakPolarHBondContact O-CG 3.3Å; Y579-M583 PolarHBondContact O-N 3.33Å; Y579-W741 HydrophobicContact CE2-CZ2 4.15Å; Y579-W742 HydrophobicContact CD2-CB 4.26Å; Y579-W742 AromaticContact CD2-CD1 3.46Å; Y579-W742 VanDerWaalsContact CD2-CD1 3.46Å; Y579-W742 HydrophobicContact CD2-CD2 4.22Å; Y579-W742 AromaticContact CD2-CG 3.72Å; Y579-W742 HydrophobicContact CD2-CG 3.72Å; Y579-W742 AromaticContact CD2-NE1 3.73Å; Y579-W742 HydrophobicContact CE2-CG 4.45Å; Y579-W742 VanDerWaalsContact N-CZ2 3.28Å
580	L	97.7	Very high	96.6	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-62.3	-46.8	-177.5	-70.2	178.6	0	0	0	111.8	V529 A545 I549 M573 G578 T582 A584	V529-L580 HydrophobicContact CB-CD1 4.42Å; V529-L580 HydrophobicContact CG2-CD1 4.46Å; V529-L580 WeakPolarHBondContact O-CD1 3.25Å; V529-L580 WeakPolarHBondContact O-CD2 3.41Å; V529-L580 WeakPolarHBondContact O-CG 3.38Å; A545-L580 HydrophobicContact CB-CD1 4.46Å; A545-L580 HydrophobicContact CB-CD2 3.92Å; I549-L580 HydrophobicContact CD1-CB 3.89Å; I549-L580 HydrophobicContact CD1-CD1 4.18Å; I549-L580 HydrophobicContact CD1-CD2 4.02Å; I549-L580 HydrophobicContact CD1-CG 4.26Å; M573-L580 HydrophobicContact CB-CD1 4.44Å; G578-L580 PolarHBondContact O-N 2.95Å; L580-T582 VanDerWaalsContact C-N 3.34Å; L580-T582 PolarHBondContact O-N 3.25Å; L580-A584 WeakPolarHBondContact O-CB 3.48Å; L580-A584 PolarHBondContact O-N 3.24Å
581	A	97.3	Very high	96.4	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-61.3	-42.6	178.7	0	0	0	0	0	111.9	T572 G578 Y579 G585 I595 L626 N628	T572-A581 WeakPolarHBondContact OG1-CB 3.37Å; G578-A581 PolarHBondContact O-N 3.14Å; Y579-A581 PolarHBondContact O-N 3.43Å; A581-G585 WeakPolarHBondContact O-CA 3.41Å; A581-G585 PolarHBondContact O-N 2.77Å; A581-I595 HydrophobicContact CB-CG2 3.91Å; A581-L626 HydrophobicContact CB-CB 4.48Å; A581-N628 HydrophobicContact CB-CB 4.03Å
582	T	96.9	Very high	96.2	Very high	2 Å²	2	6.9 Å²	6.9	1%	0.012	4%	0.042	C	C	.	.	H	α-helix	trans	-71.5	-51.5	-178.5	-64	0	0	0	0	111.6	G578 Y579 L580 G585 L586 W742 R746	G578-T582 WeakPolarHBondContact O-CB 3.34Å; G578-T582 PolarHBondContact O-N 3.15Å; G578-T582 PolarHBondContact O-OG1 3.43Å; G578-T582 VanDerWaalsContact O-OG1 3.09Å; Y579-T582 PolarHBondContact O-N 3.03Å; L580-T582 VanDerWaalsContact C-N 3.34Å; L580-T582 PolarHBondContact O-N 3.25Å; T582-G585 PolarHBondContact O-N 2.95Å; T582-L586 PolarHBondContact O-N 3.16Å; T582-W742 HydrophobicContact CG2-CE3 3.94Å; T582-W742 HydrophobicContact CG2-CZ3 4.24Å; T582-W742 WeakPolarHBondContact OG1-CZ3 3.42Å; T582-R746 VanDerWaalsContact CG2-CD 3.45Å; T582-R746 HydrophobicContact CG2-CG 4.28Å; T582-R746 WeakPolarHBondContact OG1-CD 3.47Å; T582-R746 PolarHBondContact OG1-NH1 2.94Å
583	M	96.6	Very high	96.2	Very high	8 Å²	8	7 Å²	7	4%	0.039	4%	0.043	C	C	.	.	H	α-helix	trans	-67.5	-41.2	-177.3	-63.7	-58.9	-83.5	0	0	111.2	I311 L546 Y579 G585 L586 A587 W741 W742 L745	I311-M583 HydrophobicContact CD1-CB 4.08Å; I311-M583 HydrophobicContact CD1-CE 3.74Å; I311-M583 WeakPolarHBondContact CD1-O 3.49Å; I311-M583 HydrophobicContact CD1-SD 4.44Å; I311-M583 HydrophobicContact CG2-CE 4.11Å; L546-M583 HydrophobicContact CD1-CB 3.75Å; L546-M583 HydrophobicContact CD2-CB 4.05Å; Y579-M583 HydrophobicContact CD2-CG 3.73Å; Y579-M583 HydrophobicContact CE1-CG 4.36Å; Y579-M583 HydrophobicContact CE2-CE 4.37Å; Y579-M583 HydrophobicContact CE2-CG 3.54Å; Y579-M583 HydrophobicContact CE2-SD 4.41Å; Y579-M583 HydrophobicContact CG-CG 4.27Å; Y579-M583 VanDerWaalsContact O-CB 3.32Å; Y579-M583 WeakPolarHBondContact O-CB 3.34Å; Y579-M583 VanDerWaalsContact O-CG 3.25Å; Y579-M583 WeakPolarHBondContact O-CG 3.3Å; Y579-M583 PolarHBondContact O-N 3.33Å; M583-G585 VanDerWaalsContact C-N 3.32Å; M583-L586 PolarHBondContact O-N 2.94Å; M583-A587 WeakPolarHBondContact O-CB 3.39Å; M583-A587 PolarHBondContact O-N 3.22Å; M583-W741 HydrophobicContact CE-CH2 3.85Å; M583-W742 HydrophobicContact SD-CB 4.23Å; M583-L745 HydrophobicContact CE-CD1 4.22Å; M583-L745 HydrophobicContact SD-CD1 3.86Å
584	A	97.2	Very high	96.2	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-68.2	-34.4	174.4	0	0	0	0	0	111.6	L546 I549 L580 L586 A587 A588 L626	L546-A584 VanDerWaalsContact CD1-CA 3.49Å; L546-A584 HydrophobicContact CD1-CB 3.76Å; L546-A584 VanDerWaalsContact CD1-N 3.25Å; I549-A584 HydrophobicContact CB-CB 4.04Å; I549-A584 HydrophobicContact CG2-CB 3.42Å; I549-A584 VanDerWaalsContact CG2-CB 3.42Å; L580-A584 WeakPolarHBondContact O-CB 3.48Å; L580-A584 PolarHBondContact O-N 3.24Å; A584-L586 VanDerWaalsContact C-N 3.33Å; A584-L586 PolarHBondContact O-N 3.21Å; A584-A587 PolarHBondContact O-N 3.46Å; A584-A588 WeakPolarHBondContact O-CB 3.47Å; A584-A588 PolarHBondContact O-N 3.42Å; A584-L626 HydrophobicContact CB-CD2 3.63Å
585	G	95.9	Very high	96.2	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-60.2	-43.2	173.1	0	0	0	0	0	112	A581 T582 M583 G589 A590	A581-G585 WeakPolarHBondContact O-CA 3.41Å; A581-G585 PolarHBondContact O-N 2.77Å; T582-G585 PolarHBondContact O-N 2.95Å; M583-G585 VanDerWaalsContact C-N 3.32Å; G585-G589 CarbonylContact O-C 3.59Å; G585-G589 VanDerWaalsContact O-CA 3.3Å; G585-G589 WeakPolarHBondContact O-CA 3.46Å; G585-G589 PolarHBondContact O-N 3.37Å; G585-A590 PolarHBondContact O-N 2.86Å
586	L	95.3	Very high	96.2	Very high	5 Å²	5	8.1 Å²	8.1	3%	0.026	4%	0.042	C	C	.	.	H	α-helix	trans	-68.3	-46.9	175.7	-174.5	61.6	0	0	0	112.1	I311 T582 M583 A584 G589 I748 L752	I311-L586 HydrophobicContact CB-CD2 4.48Å; I311-L586 HydrophobicContact CG1-CB 4.44Å; I311-L586 HydrophobicContact CG1-CD2 4.26Å; I311-L586 HydrophobicContact CG1-CG 4.28Å; I311-L586 HydrophobicContact CG2-CD2 3.86Å; T582-L586 PolarHBondContact O-N 3.16Å; M583-L586 PolarHBondContact O-N 2.94Å; A584-L586 VanDerWaalsContact C-N 3.33Å; A584-L586 PolarHBondContact O-N 3.21Å; L586-G589 PolarHBondContact O-N 3.48Å; L586-I748 HydrophobicContact CD1-CG2 4Å; L586-L752 HydrophobicContact CD1-CD1 3.84Å
587	A	96.3	Very high	96.2	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-65.7	-40.8	-179.3	0	0	0	0	0	113.1	A307 R310 I311 M583 A584	A307-A587 HydrophobicContact CB-CB 4.07Å; R310-A587 HydrophobicContact CB-CB 4.38Å; R310-A587 WeakPolarHBondContact CD-O 3.26Å; I311-A587 HydrophobicContact CD1-CB 4.01Å; I311-A587 HydrophobicContact CG1-CB 3.82Å; M583-A587 WeakPolarHBondContact O-CB 3.39Å; M583-A587 PolarHBondContact O-N 3.22Å; A584-A587 PolarHBondContact O-N 3.46Å
588	A	95.1	Very high	96	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-78.4	-27.9	176.9	0	0	0	0	0	110.8	L77 C553 K557 A584 L624	L77-A588 WeakPolarHBondContact CD1-O 3.44Å; C553-A588 HydrophobicContact CB-CB 3.71Å; K557-A588 WeakPolarHBondContact CE-O 3.4Å; K557-A588 PolarHBondContact NZ-O 3.21Å; A584-A588 WeakPolarHBondContact O-CB 3.47Å; A584-A588 PolarHBondContact O-N 3.42Å; A588-L624 HydrophobicContact CB-CD2 3.97Å
589	G	93.7	Very high	95.7	Very high	14 Å²	14	16.6 Å²	16.6	14%	0.144	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	59.1	-168.5	0	0	0	0	0	110.6	K557 G585 L586	K557-G589 PolarHBondContact NZ-O 2.99Å; G585-G589 CarbonylContact O-C 3.59Å; G585-G589 VanDerWaalsContact O-CA 3.3Å; G585-G589 WeakPolarHBondContact O-CA 3.46Å; G585-G589 PolarHBondContact O-N 3.37Å; L586-G589 PolarHBondContact O-N 3.48Å
590	A	94.5	Very high	95.6	Very high	4 Å²	4	17 Å²	17	3%	0.033	10%	0.095	C	C	.	.			trans	-75.7	155.3	171	0	0	0	0	0	111.2	G585 L624 L626	G585-A590 PolarHBondContact O-N 2.86Å; A590-L624 HydrophobicContact CB-CB 4.46Å; A590-L624 HydrophobicContact CB-CD2 4.18Å; A590-L624 HydrophobicContact CB-CG 4.25Å; A590-L626 HydrophobicContact CB-CD1 3.22Å
591	D	93.7	Very high	95.4	Very high	8 Å²	8	20.3 Å²	20.3	4%	0.043	12%	0.115	C	C	.	.	S	Bend	trans	-78.5	-42.8	176.4	-62.3	-63.8	0	0	0	110.3	L612 K615 G623 L624 Y755	D591-L612 HydrophobicContact CB-CD2 3.93Å; D591-K615 IonicContact OD1-NZ 3.84Å; D591-K615 PolarHBondContact OD1-NZ 3.11Å; D591-K615 IonicContact OD2-NZ 3.26Å; D591-K615 PolarHBondContact OD2-NZ 3.47Å; D591-G623 VanDerWaalsContact OD2-CA 3.24Å; D591-G623 WeakPolarHBondContact OD2-CA 3.35Å; D591-L624 PolarHBondContact N-O 2.84Å; D591-L624 PolarHBondContact OD2-N 2.94Å; D591-Y755 WeakPolarHBondContact O-CE2 3.49Å; D591-Y755 PolarHBondContact O-OH 2.96Å
592	A	94.3	Very high	95.3	Very high	7 Å²	7	24 Å²	24	6%	0.058	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	153.9	175.4	0	0	0	0	0	111.2	V625 L626	A592-V625 HydrophobicContact CB-CG1 4.41Å; A592-V625 HydrophobicContact CB-CG2 4.48Å; A592-V625 WeakPolarHBondContact O-CA 3.41Å; A592-L626 PolarHBondContact O-N 3.02Å
593	A	96.4	Very high	95.1	Very high	3 Å²	3	33.4 Å²	33.4	3%	0.025	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	112.9	170.8	0	0	0	0	0	109.3	L626 R746 L749	A593-L626 CarbonylContact C-O 3.43Å; A593-L626 VanDerWaalsContact CA-O 3.25Å; A593-L626 WeakPolarHBondContact CA-O 3.44Å; A593-L626 HydrophobicContact CB-CB 4.27Å; A593-R746 VanDerWaalsContact O-CZ 3.26Å; A593-R746 PolarHBondContact O-NH1 2.82Å; A593-R746 PolarHBondContact O-NH2 3.43Å; A593-L749 HydrophobicContact CB-CD1 3.94Å
594	Y	97.2	Very high	95	Very high	11 Å²	11	36.4 Å²	36.4	4%	0.043	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	128.8	179.3	-58.5	-62.6	0	0	0	111.1	F600 L605 N608 V625 L626 N628 I640 Y644	Y594-F600 HydrophobicContact CD1-CD1 4.04Å; Y594-F600 AromaticContact CD1-CD2 3.96Å; Y594-F600 HydrophobicContact CD1-CD2 3.96Å; Y594-F600 HydrophobicContact CD1-CE1 4.27Å; Y594-F600 HydrophobicContact CD1-CE2 4.16Å; Y594-F600 AromaticContact CD1-CG 3.9Å; Y594-F600 HydrophobicContact CD1-CG 3.9Å; Y594-F600 HydrophobicContact CD1-CZ 4.32Å; Y594-F600 HydrophobicContact CE1-CD2 4.26Å; Y594-F600 HydrophobicContact CE1-CG 4.43Å; Y594-F600 HydrophobicContact CG-CE1 4.32Å; Y594-F600 HydrophobicContact CG-CE2 4.36Å; Y594-F600 HydrophobicContact CG-CZ 4.22Å; Y594-L605 HydrophobicContact CD1-CD2 4.45Å; Y594-L605 HydrophobicContact CE1-CD2 3.73Å; Y594-L605 HydrophobicContact CE2-CD2 3.86Å; Y594-L605 WeakPolarHBondContact OH-CD2 3.47Å; Y594-N608 WeakPolarHBondContact OH-CB 3.5Å; Y594-N608 VanDerWaalsContact OH-CG 3.24Å; Y594-N608 PolarHBondContact OH-ND2 3.03Å; Y594-V625 HydrophobicContact CD2-CG1 3.87Å; Y594-V625 HydrophobicContact CE2-CG1 3.47Å; Y594-V625 VanDerWaalsContact CE2-CG1 3.47Å; Y594-L626 PolarHBondContact N-O 2.77Å; Y594-N628 PolarHBondContact O-N 3.45Å; Y594-I640 HydrophobicContact CD2-CD1 3.99Å; Y594-I640 HydrophobicContact CE2-CD1 4.26Å; Y594-Y644 PolarHBondContact OH-OH 3.2Å
595	I	97	Very high	94.8	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	19%	0.186	C	C	.	.			trans	-135.5	164.5	-175.4	63.4	173	0	0	0	110.4	A581 E597 E598 N628 C631 W742 L743	A581-I595 HydrophobicContact CB-CG2 3.91Å; I595-E597 HydrophobicContact CD1-CB 4.16Å; I595-E598 HydrophobicContact CD1-CB 4.1Å; I595-E598 HydrophobicContact CG1-CB 3.83Å; I595-N628 HydrophobicContact CG2-CB 4.49Å; I595-C631 VanDerWaalsContact C-CB 3.46Å; I595-W742 HydrophobicContact CD1-CH2 4.04Å; I595-W742 HydrophobicContact CD1-CZ3 3.83Å; I595-L743 HydrophobicContact CD1-CD2 3.89Å
596	F	96.7	Very high	94.7	Very high	57 Å²	57	41.1 Å²	41.1	25%	0.25	21%	0.208	C	C	.	.	S	Bend	trans	-73.2	-38.3	178.9	172.1	-105	0	0	0	111.5	Y576 E598 H734 I736	Y576-F596 HydrophobicContact CD1-CB 4.38Å; Y576-F596 HydrophobicContact CD1-CD1 4.23Å; Y576-F596 AromaticContact CD1-CD2 3.61Å; Y576-F596 HydrophobicContact CD1-CD2 3.61Å; Y576-F596 HydrophobicContact CD1-CE1 4.46Å; Y576-F596 AromaticContact CD1-CE2 3.87Å; Y576-F596 HydrophobicContact CD1-CE2 3.87Å; Y576-F596 AromaticContact CD1-CG 3.81Å; Y576-F596 HydrophobicContact CD1-CG 3.81Å; Y576-F596 HydrophobicContact CD1-CZ 4.3Å; Y576-F596 HydrophobicContact CE1-CD2 4.25Å; Y576-F596 HydrophobicContact CE1-CE2 4.25Å; Y576-F596 HydrophobicContact CG-CG 4.44Å; Y576-F596 WeakPolarHBondContact O-CB 3.29Å; F596-E598 PolarHBondContact O-N 3.28Å; F596-H734 HydrophobicContact CE1-CB 3.98Å; F596-H734 AromaticContact CE1-CD2 3.79Å; F596-H734 AromaticContact CE1-CG 3.63Å; F596-H734 AromaticContact CE2-CD2 3.8Å; F596-H734 AromaticContact CE2-NE2 3.95Å; F596-H734 HydrophobicContact CZ-CB 4.33Å; F596-H734 AromaticContact CZ-CD2 3.23Å; F596-H734 WeakPolarHBondContact CZ-CD2 3.35Å; F596-H734 AromaticContact CZ-CE1 3.75Å; F596-H734 AromaticContact CZ-CG 3.51Å; F596-H734 AromaticContact CZ-ND1 3.81Å; F596-H734 AromaticContact CZ-NE2 3.39Å; F596-H734 WeakPolarHBondContact CZ-NE2 3.24Å; F596-I736 HydrophobicContact CD1-CD1 4.05Å; F596-I736 HydrophobicContact CE1-CD1 4.1Å
597	E	95.3	Very high	94.6	Very high	43 Å²	43	43.3 Å²	43.3	20%	0.201	23%	0.226	C	C	.	.	S	Bend	trans	-68.5	-16.8	-175.4	-58	93.3	149.5	0	0	114	C577 G578 I595 I736 Q740 W742 L743	C577-E597 WeakPolarHBondContact CA-OE1 3.46Å; G578-E597 WeakPolarHBondContact CA-OE2 3.42Å; G578-E597 VanDerWaalsContact N-CD 3.34Å; G578-E597 PolarHBondContact N-OE1 2.8Å; G578-E597 PolarHBondContact N-OE2 3.36Å; I595-E597 HydrophobicContact CD1-CB 4.16Å; E597-I736 HydrophobicContact CG-CD1 4.45Å; E597-Q740 PolarHBondContact OE1-NE2 3.49Å; E597-W742 HydrophobicContact CG-CH2 4.41Å; E597-W742 VanDerWaalsContact OE1-CH2 3.31Å; E597-W742 WeakPolarHBondContact OE1-CH2 3.07Å; E597-W742 VanDerWaalsContact OE1-CZ2 3.26Å; E597-W742 WeakPolarHBondContact OE1-CZ2 3.16Å; E597-L743 HydrophobicContact CB-CD1 4.32Å; E597-L743 HydrophobicContact CB-CD2 3.78Å; E597-L743 HydrophobicContact CG-CD2 4.39Å
598	E	93.1	Very high	94.5	Very high	62 Å²	62	44.1 Å²	44.1	29%	0.29	23%	0.231	S	C	.	.	S	Bend	trans	-121.6	87.2	174.7	-172.2	-174.7	154.6	0	0	108.2	I595 F596 F600 R746 K750	I595-E598 HydrophobicContact CD1-CB 4.1Å; I595-E598 HydrophobicContact CG1-CB 3.83Å; F596-E598 PolarHBondContact O-N 3.28Å; E598-F600 PolarHBondContact O-N 2.71Å; E598-R746 IonicContact OE1-NH2 3.81Å; E598-R746 IonicContact OE2-CZ 3.87Å; E598-R746 VanDerWaalsContact OE2-CZ 3.24Å; E598-R746 IonicContact OE2-NE 2.71Å; E598-R746 PolarHBondContact OE2-NE 2.95Å; E598-R746 IonicContact OE2-NH2 2.74Å; E598-R746 PolarHBondContact OE2-NH2 2.99Å; E598-K750 WeakPolarHBondContact OE1-CE 3.46Å; E598-K750 IonicContact OE1-NZ 3.26Å; E598-K750 PolarHBondContact OE1-NZ 2.73Å
599	P	92.6	Very high	94.5	Very high	117 Å²	117	44.4 Å²	44.4	76%	0.76	23%	0.232	S	C	*	.			trans	-55.8	139.2	178.7	-25.2	34.2	0	0	0	111.2
600	F	94	Very high	94.5	Very high	16 Å²	16	48.6 Å²	48.6	7%	0.07	25%	0.248	C	C	.	.			trans	-131	152.5	-179	62.3	-82	0	0	0	110.1	Y594 E598 D604 L605 C631 N632 Y635	Y594-F600 HydrophobicContact CD1-CD1 4.04Å; Y594-F600 AromaticContact CD1-CD2 3.96Å; Y594-F600 HydrophobicContact CD1-CD2 3.96Å; Y594-F600 HydrophobicContact CD1-CE1 4.27Å; Y594-F600 HydrophobicContact CD1-CE2 4.16Å; Y594-F600 AromaticContact CD1-CG 3.9Å; Y594-F600 HydrophobicContact CD1-CG 3.9Å; Y594-F600 HydrophobicContact CD1-CZ 4.32Å; Y594-F600 HydrophobicContact CE1-CD2 4.26Å; Y594-F600 HydrophobicContact CE1-CG 4.43Å; Y594-F600 HydrophobicContact CG-CE1 4.32Å; Y594-F600 HydrophobicContact CG-CE2 4.36Å; Y594-F600 HydrophobicContact CG-CZ 4.22Å; E598-F600 PolarHBondContact O-N 2.71Å; F600-D604 HydrophobicContact CB-CB 4.05Å; F600-L605 HydrophobicContact CD2-CD2 3.83Å; F600-L605 HydrophobicContact CD2-CG 4.08Å; F600-L605 HydrophobicContact CE2-CD1 4.37Å; F600-L605 HydrophobicContact CE2-CD2 3.84Å; F600-L605 HydrophobicContact CE2-CG 4.28Å; F600-C631 HydrophobicContact CE1-CB 4.07Å; F600-N632 HydrophobicContact CE1-CB 4.21Å; F600-N632 HydrophobicContact CZ-CB 3.94Å; F600-Y635 AromaticContact CD2-CD2 3.99Å; F600-Y635 HydrophobicContact CD2-CD2 3.99Å; F600-Y635 AromaticContact CE2-CD2 3.44Å; F600-Y635 HydrophobicContact CE2-CD2 3.44Å; F600-Y635 VanDerWaalsContact CE2-CD2 3.44Å; F600-Y635 HydrophobicContact CE2-CE2 4.38Å; F600-Y635 AromaticContact CE2-CG 3.94Å; F600-Y635 HydrophobicContact CE2-CG 3.94Å; F600-Y635 AromaticContact CZ-CD2 3.95Å; F600-Y635 HydrophobicContact CZ-CD2 3.95Å; F600-Y635 HydrophobicContact CZ-CG 4.43Å; F600-Y635 WeakPolarHBondContact O-CE2 3.48Å
601	T	94.8	Very high	94.4	Very high	68 Å²	68	50 Å²	50	42%	0.417	25%	0.254	S	S	.	.			trans	-115	175.4	-177.3	69.8	0	0	0	0	110.7	R603 D604 L605	T601-R603 PolarHBondContact O-N 3.38Å; T601-R603 PolarHBondContact OG1-N 2.9Å; T601-D604 WeakPolarHBondContact CB-OD2 3.11Å; T601-D604 PolarHBondContact N-OD2 3.17Å; T601-D604 PolarHBondContact O-N 3.13Å; T601-D604 VanDerWaalsContact O-N 3.14Å; T601-D604 PolarHBondContact OG1-OD2 3.48Å; T601-L605 PolarHBondContact O-N 3.34Å; T601-L605 VanDerWaalsContact O-N 3.15Å
602	I	94	Very high	94.4	Very high	77 Å²	77	49.7 Å²	49.7	40%	0.395	25%	0.252	S	S	.	.	H	α-helix	trans	-58.3	-30.4	172.1	-166.6	61	0	0	0	112.5	L605 Q606 F639 L643	I602-L605 HydrophobicContact CD1-CB 4.49Å; I602-L605 HydrophobicContact CD1-CD1 4.17Å; I602-L605 PolarHBondContact O-N 3.31Å; I602-Q606 WeakPolarHBondContact O-CB 3.44Å; I602-Q606 PolarHBondContact O-N 3.29Å; I602-F639 HydrophobicContact CD1-CE1 4.28Å; I602-F639 HydrophobicContact CD1-CZ 4.21Å; I602-L643 HydrophobicContact CD1-CD1 4.3Å; I602-L643 HydrophobicContact CD1-CD2 3.66Å
603	R	93.9	Very high	94.3	Very high	200 Å²	200	50.2 Å²	50.2	76%	0.755	26%	0.255	S	S	*	.	H	α-helix	trans	-66.1	-39.6	177	-63.9	-178	-177.8	170.4	0.8	111.4	T601 Q606 A607	T601-R603 PolarHBondContact O-N 3.38Å; T601-R603 PolarHBondContact OG1-N 2.9Å; R603-Q606 PolarHBondContact O-N 3.21Å; R603-A607 WeakPolarHBondContact O-CB 3.39Å; R603-A607 PolarHBondContact O-N 3.28Å
604	D	93	Very high	94.1	Very high	72 Å²	72	55.2 Å²	55.2	39%	0.385	28%	0.278	S	S	.	.	H	α-helix	trans	-66.7	-40.9	176.1	-56.3	-71.3	0	0	0	110.8	F600 T601 A607 N608	F600-D604 HydrophobicContact CB-CB 4.05Å; T601-D604 WeakPolarHBondContact CB-OD2 3.11Å; T601-D604 PolarHBondContact N-OD2 3.17Å; T601-D604 PolarHBondContact O-N 3.13Å; T601-D604 VanDerWaalsContact O-N 3.14Å; T601-D604 PolarHBondContact OG1-OD2 3.48Å; D604-A607 PolarHBondContact O-N 3.49Å; D604-N608 PolarHBondContact O-N 3.15Å; D604-N608 PolarHBondContact O-ND2 3.47Å
605	L	94.4	Very high	93.8	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.2	-45.7	174.4	-63.6	-179.7	0	0	0	111.3	Y594 F600 T601 I602 N608 V609 Y635 F639 I640 L643	Y594-L605 HydrophobicContact CD1-CD2 4.45Å; Y594-L605 HydrophobicContact CE1-CD2 3.73Å; Y594-L605 HydrophobicContact CE2-CD2 3.86Å; Y594-L605 WeakPolarHBondContact OH-CD2 3.47Å; F600-L605 HydrophobicContact CD2-CD2 3.83Å; F600-L605 HydrophobicContact CD2-CG 4.08Å; F600-L605 HydrophobicContact CE2-CD1 4.37Å; F600-L605 HydrophobicContact CE2-CD2 3.84Å; F600-L605 HydrophobicContact CE2-CG 4.28Å; T601-L605 PolarHBondContact O-N 3.34Å; T601-L605 VanDerWaalsContact O-N 3.15Å; I602-L605 HydrophobicContact CD1-CB 4.49Å; I602-L605 HydrophobicContact CD1-CD1 4.17Å; I602-L605 PolarHBondContact O-N 3.31Å; L605-N608 WeakPolarHBondContact O-CB 3.29Å; L605-N608 PolarHBondContact O-N 3.46Å; L605-V609 WeakPolarHBondContact O-CG2 3.41Å; L605-V609 PolarHBondContact O-N 2.98Å; L605-Y635 HydrophobicContact CD1-CD1 4.42Å; L605-Y635 HydrophobicContact CD1-CG 4.38Å; L605-F639 HydrophobicContact CD1-CD1 4.46Å; L605-F639 HydrophobicContact CD1-CE1 3.94Å; L605-I640 HydrophobicContact CD2-CG1 4.42Å; L605-L643 HydrophobicContact CB-CD2 3.71Å; L605-L643 HydrophobicContact CD1-CD2 3.77Å; L605-L643 HydrophobicContact CG-CD2 4.36Å
606	Q	93.8	Very high	93.5	Very high	99 Å²	99	56.8 Å²	56.8	46%	0.463	29%	0.285	S	S	.	.	H	α-helix	trans	-60	-48.3	176.6	-175.1	-176.3	-18.7	0	0	111.7	I602 R603 N608 V609 E610	I602-Q606 WeakPolarHBondContact O-CB 3.44Å; I602-Q606 PolarHBondContact O-N 3.29Å; R603-Q606 PolarHBondContact O-N 3.21Å; Q606-N608 PolarHBondContact O-N 3.36Å; Q606-V609 PolarHBondContact O-N 3.05Å; Q606-E610 WeakPolarHBondContact CG-OE1 3.45Å; Q606-E610 PolarHBondContact NE2-OE1 3.14Å; Q606-E610 WeakPolarHBondContact O-CG 3.47Å; Q606-E610 PolarHBondContact O-N 3.01Å
607	A	93.3	Very high	93.1	Very high	50 Å²	50	60.3 Å²	60.3	41%	0.413	30%	0.3	S	S	.	.	H	α-helix	trans	-58.4	-37	177.3	0	0	0	0	0	112.3	R603 D604 H611	R603-A607 WeakPolarHBondContact O-CB 3.39Å; R603-A607 PolarHBondContact O-N 3.28Å; D604-A607 PolarHBondContact O-N 3.49Å; A607-H611 VanDerWaalsContact O-CB 3.31Å; A607-H611 WeakPolarHBondContact O-CB 3.42Å; A607-H611 PolarHBondContact O-N 3.27Å
608	N	93.8	Very high	92.7	Very high	18 Å²	18	60.4 Å²	60.4	10%	0.096	30%	0.304	C	S	.	.	H	α-helix	trans	-68.2	-39.8	174.5	-73.5	-57.5	0	0	0	112.7	Y594 D604 L605 Q606 H611 L612 Y644 Y755	Y594-N608 WeakPolarHBondContact OH-CB 3.5Å; Y594-N608 VanDerWaalsContact OH-CG 3.24Å; Y594-N608 PolarHBondContact OH-ND2 3.03Å; D604-N608 PolarHBondContact O-N 3.15Å; D604-N608 PolarHBondContact O-ND2 3.47Å; L605-N608 WeakPolarHBondContact O-CB 3.29Å; L605-N608 PolarHBondContact O-N 3.46Å; Q606-N608 PolarHBondContact O-N 3.36Å; N608-H611 PolarHBondContact O-N 3.07Å; N608-L612 WeakPolarHBondContact O-CG 3.25Å; N608-L612 PolarHBondContact O-N 3.26Å; N608-Y644 WeakPolarHBondContact CB-OH 3.28Å; N608-Y755 WeakPolarHBondContact OD1-CE1 3.2Å; N608-Y755 PolarHBondContact OD1-OH 3.03Å
609	V	94.4	Very high	92.4	Very high	6 Å²	6	63 Å²	63	4%	0.036	32%	0.324	C	S	.	.	H	α-helix	trans	-63.7	-46.7	174.4	174.3	0	0	0	0	110.5	L605 Q606 H611 L612 V613 Y644 E647 F652	L605-V609 WeakPolarHBondContact O-CG2 3.41Å; L605-V609 PolarHBondContact O-N 2.98Å; Q606-V609 PolarHBondContact O-N 3.05Å; V609-H611 VanDerWaalsContact C-N 3.32Å; V609-H611 PolarHBondContact O-N 2.9Å; V609-L612 CarbonylContact O-C 3.52Å; V609-L612 WeakPolarHBondContact O-CB 3.27Å; V609-L612 PolarHBondContact O-N 2.82Å; V609-L612 VanDerWaalsContact O-N 3.14Å; V609-V613 HydrophobicContact CG1-CG2 4.24Å; V609-V613 WeakPolarHBondContact O-CG2 3.49Å; V609-V613 PolarHBondContact O-N 2.96Å; V609-Y644 HydrophobicContact CG2-CD1 4.05Å; V609-Y644 HydrophobicContact CG2-CD2 3.45Å; V609-Y644 VanDerWaalsContact CG2-CD2 3.45Å; V609-Y644 HydrophobicContact CG2-CE1 4.06Å; V609-Y644 HydrophobicContact CG2-CE2 3.46Å; V609-Y644 VanDerWaalsContact CG2-CE2 3.46Å; V609-Y644 HydrophobicContact CG2-CG 3.75Å; V609-E647 HydrophobicContact CG1-CB 3.69Å; V609-F652 HydrophobicContact CG1-CZ 4.21Å
610	E	93.9	Very high	92	Very high	101 Å²	101	58 Å²	58	47%	0.472	29%	0.291	S	S	.	.	H	α-helix	trans	-58.5	-44.6	176.7	-71.5	172.3	-171.2	0	0	111.4	Q606 L612 V613 Q614	Q606-E610 WeakPolarHBondContact CG-OE1 3.45Å; Q606-E610 PolarHBondContact NE2-OE1 3.14Å; Q606-E610 WeakPolarHBondContact O-CG 3.47Å; Q606-E610 PolarHBondContact O-N 3.01Å; E610-L612 PolarHBondContact O-N 2.82Å; E610-V613 WeakPolarHBondContact O-CB 3.47Å; E610-V613 PolarHBondContact O-N 2.85Å; E610-Q614 WeakPolarHBondContact O-CG 3.43Å; E610-Q614 PolarHBondContact O-N 3.17Å
611	H	92.9	Very high	91.7	Very high	34 Å²	34	60.8 Å²	60.8	16%	0.157	30%	0.303	C	S	.	.	H	α-helix	trans	-56.6	-48.1	173.6	176.6	85.5	0	0	0	111.8	A607 N608 V609 Q614 K615 A753 K754 Y755	A607-H611 VanDerWaalsContact O-CB 3.31Å; A607-H611 WeakPolarHBondContact O-CB 3.42Å; A607-H611 PolarHBondContact O-N 3.27Å; N608-H611 PolarHBondContact O-N 3.07Å; V609-H611 VanDerWaalsContact C-N 3.32Å; V609-H611 PolarHBondContact O-N 2.9Å; H611-Q614 PolarHBondContact O-N 3.15Å; H611-K615 WeakPolarHBondContact O-CB 3.25Å; H611-K615 PolarHBondContact O-N 2.89Å; H611-A753 PolarHBondContact CE1-O 3.03Å; H611-A753 PolarHBondContact NE2-O 2.86Å; H611-A753 VanDerWaalsContact NE2-O 3.12Å; H611-K754 PolarHBondContact CE1-O 3.44Å; H611-Y755 HydrophobicContact CB-CE1 4.02Å; H611-Y755 AromaticContact CD2-CE2 3.6Å; H611-Y755 AromaticContact CD2-CZ 3.53Å; H611-Y755 PolarHBondContact CD2-OH 3.44Å; H611-Y755 AromaticContact CE1-CD2 3.97Å; H611-Y755 AromaticContact CE1-CE2 3.82Å; H611-Y755 AromaticContact CG-CE1 3.91Å; H611-Y755 AromaticContact CG-CE2 3.91Å; H611-Y755 AromaticContact CG-CZ 3.6Å; H611-Y755 AromaticContact NE2-CE2 3.59Å
612	L	93.6	Very high	91.4	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-63.7	-41	176.6	-73.1	169.6	0	0	0	111.9	V567 D591 N608 V609 E610 Q614 K615 M616 V625 Y644 F652	V567-L612 HydrophobicContact CG1-CD1 3.92Å; V567-L612 HydrophobicContact CG2-CD1 4.13Å; D591-L612 HydrophobicContact CB-CD2 3.93Å; N608-L612 WeakPolarHBondContact O-CG 3.25Å; N608-L612 PolarHBondContact O-N 3.26Å; V609-L612 CarbonylContact O-C 3.52Å; V609-L612 WeakPolarHBondContact O-CB 3.27Å; V609-L612 PolarHBondContact O-N 2.82Å; V609-L612 VanDerWaalsContact O-N 3.14Å; E610-L612 PolarHBondContact O-N 2.82Å; L612-Q614 VanDerWaalsContact C-N 3.34Å; L612-Q614 PolarHBondContact O-N 2.77Å; L612-K615 HydrophobicContact CD2-CD 4.43Å; L612-K615 WeakPolarHBondContact O-CB 3.33Å; L612-K615 PolarHBondContact O-N 3.05Å; L612-M616 WeakPolarHBondContact O-CG 3.17Å; L612-M616 PolarHBondContact O-N 3.28Å; L612-V625 HydrophobicContact CD1-CG2 4.18Å; L612-Y644 HydrophobicContact CD1-CD1 4.03Å; L612-Y644 HydrophobicContact CD1-CE1 3.46Å; L612-Y644 VanDerWaalsContact CD1-CE1 3.46Å; L612-F652 HydrophobicContact CB-CE1 4.12Å; L612-F652 HydrophobicContact CB-CZ 4.47Å
613	V	93.1	Very high	91.4	Very high	18 Å²	18	55.9 Å²	55.9	11%	0.109	27%	0.274	C	S	.	.	H	α-helix	trans	-57.4	-46.9	175	163.4	0	0	0	0	110.8	V609 E610 M616 I651 F652	V609-V613 HydrophobicContact CG1-CG2 4.24Å; V609-V613 WeakPolarHBondContact O-CG2 3.49Å; V609-V613 PolarHBondContact O-N 2.96Å; E610-V613 WeakPolarHBondContact O-CB 3.47Å; E610-V613 PolarHBondContact O-N 2.85Å; V613-M616 PolarHBondContact O-N 3.01Å; V613-I651 HydrophobicContact CB-CD1 4.38Å; V613-I651 HydrophobicContact CG1-CD1 3.51Å; V613-I651 HydrophobicContact CG1-CG2 4.37Å; V613-I651 HydrophobicContact CG2-CD1 4.02Å; V613-I651 HydrophobicContact CG2-CG2 4.48Å; V613-F652 HydrophobicContact CG2-CD1 4.43Å; V613-F652 HydrophobicContact CG2-CE1 3.8Å
614	Q	91.2	Very high	91.4	Very high	109 Å²	109	46.6 Å²	46.6	51%	0.509	24%	0.239	S	C	.	.	H	α-helix	trans	-65.3	-42.1	177	-61.9	-55.1	-19.5	0	0	111.5	E610 H611 L612 M616 K617	E610-Q614 WeakPolarHBondContact O-CG 3.43Å; E610-Q614 PolarHBondContact O-N 3.17Å; H611-Q614 PolarHBondContact O-N 3.15Å; L612-Q614 VanDerWaalsContact C-N 3.34Å; L612-Q614 PolarHBondContact O-N 2.77Å; Q614-M616 VanDerWaalsContact C-N 3.3Å; Q614-M616 PolarHBondContact O-N 3.45Å; Q614-K617 WeakPolarHBondContact O-CB 3.24Å; Q614-K617 PolarHBondContact O-N 3.14Å; Q614-K617 VanDerWaalsContact O-N 3.1Å
615	K	91	Very high	91.6	Very high	41 Å²	41	43.2 Å²	43.2	18%	0.178	22%	0.221	C	C	.	.	H	α-helix	trans	-58.1	-41.1	175.7	-176.2	-177.5	173.5	-172.8	0	112.1	D591 H611 L612 K617 T618 R622	D591-K615 IonicContact OD1-NZ 3.84Å; D591-K615 PolarHBondContact OD1-NZ 3.11Å; D591-K615 IonicContact OD2-NZ 3.26Å; D591-K615 PolarHBondContact OD2-NZ 3.47Å; H611-K615 WeakPolarHBondContact O-CB 3.25Å; H611-K615 PolarHBondContact O-N 2.89Å; L612-K615 HydrophobicContact CD2-CD 4.43Å; L612-K615 WeakPolarHBondContact O-CB 3.33Å; L612-K615 PolarHBondContact O-N 3.05Å; K615-K617 PolarHBondContact O-N 3.29Å; K615-T618 WeakPolarHBondContact O-CB 3.28Å; K615-T618 PolarHBondContact O-N 2.78Å; K615-T618 PolarHBondContact O-OG1 3.27Å; K615-R622 WeakPolarHBondContact CE-O 3.23Å; K615-R622 PolarHBondContact NZ-O 2.88Å
616	M	90.4	Very high	91.7	Very high	3 Å²	3	43.2 Å²	43.2	2%	0.015	22%	0.221	C	C	.	.	H	α-helix	trans	-65.3	-17.3	179	-66.8	-62	175.7	0	0	114.2	V567 L612 V613 Q614 T618 K621 I651 F652	V567-M616 HydrophobicContact CG2-CE 3.4Å; V567-M616 VanDerWaalsContact CG2-CE 3.4Å; L612-M616 WeakPolarHBondContact O-CG 3.17Å; L612-M616 PolarHBondContact O-N 3.28Å; V613-M616 PolarHBondContact O-N 3.01Å; Q614-M616 VanDerWaalsContact C-N 3.3Å; Q614-M616 PolarHBondContact O-N 3.45Å; M616-T618 VanDerWaalsContact C-N 3.33Å; M616-K621 HydrophobicContact SD-CB 4.33Å; M616-I651 HydrophobicContact CB-CG2 3.91Å; M616-I651 HydrophobicContact CG-CG2 4.46Å; M616-F652 HydrophobicContact CE-CB 3.89Å; M616-F652 HydrophobicContact CE-CD1 4.28Å; M616-F652 HydrophobicContact CE-CG 4.13Å; M616-F652 HydrophobicContact CG-CB 4.08Å; M616-F652 HydrophobicContact CG-CD1 3.89Å; M616-F652 HydrophobicContact CG-CG 4.37Å; M616-F652 HydrophobicContact SD-CB 4.25Å
617	K	88.8	Confident	91.9	Very high	132 Å²	132	39 Å²	39	57%	0.574	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-17	173	-60.8	174	-171.4	169.3	0	112.7	Q614 K615	Q614-K617 WeakPolarHBondContact O-CB 3.24Å; Q614-K617 PolarHBondContact O-N 3.14Å; Q614-K617 VanDerWaalsContact O-N 3.1Å; K615-K617 PolarHBondContact O-N 3.29Å
618	T	87.7	Confident	92.1	Very high	45 Å²	45	36.6 Å²	36.6	28%	0.276	18%	0.181	S	C	.	.	S	Bend	trans	-82.3	-172.2	177	75.9	0	0	0	0	112	K615 M616 V620 K621	K615-T618 WeakPolarHBondContact O-CB 3.28Å; K615-T618 PolarHBondContact O-N 2.78Å; K615-T618 PolarHBondContact O-OG1 3.27Å; M616-T618 VanDerWaalsContact C-N 3.33Å; T618-V620 PolarHBondContact O-N 3.26Å; T618-V620 PolarHBondContact OG1-N 2.76Å; T618-V620 VanDerWaalsContact OG1-N 3.09Å; T618-K621 WeakPolarHBondContact O-CE 3.47Å
619	T	85.7	Confident	92.2	Very high	117 Å²	117	38.6 Å²	38.6	72%	0.718	19%	0.19	S	C	*	.	S	Bend	trans	-68.3	-21.3	171.1	58.5	0	0	0	0	112.4	E71 K621	E71-T619 WeakPolarHBondContact CB-OG1 3.16Å; E71-T619 WeakPolarHBondContact CG-OG1 3.08Å; T619-K621 PolarHBondContact O-N 3.42Å
620	V	84.1	Confident	92.3	Very high	12 Å²	12	43 Å²	43	7%	0.073	21%	0.208	C	C	.	.			trans	-93.3	89.7	-178.5	-173.3	0	0	0	0	110.7	E71 S74 T618 R622	E71-V620 HydrophobicContact CB-CG2 4.23Å; E71-V620 HydrophobicContact CG-CG2 4.08Å; S74-V620 WeakPolarHBondContact OG-CG1 3.42Å; S74-V620 VanDerWaalsContact OG-CG2 3.31Å; S74-V620 WeakPolarHBondContact OG-CG2 3.41Å; T618-V620 PolarHBondContact O-N 3.26Å; T618-V620 PolarHBondContact OG1-N 2.76Å; T618-V620 VanDerWaalsContact OG1-N 3.09Å; V620-R622 HydrophobicContact CG1-CG 4.31Å; V620-R622 PolarHBondContact O-N 2.92Å
621	K	87	Confident	92.4	Very high	73 Å²	73	38.4 Å²	38.4	32%	0.317	19%	0.188	S	C	.	.			trans	-95.3	50.4	-174.8	-58	-178.4	177.4	174.4	0	113.5	K564 R565 M616 T618 T619	K564-K621 HydrophobicContact CB-CB 4.43Å; R565-K621 WeakPolarHBondContact CA-O 3.38Å; R565-K621 HydrophobicContact CG-CB 4.16Å; R565-K621 HydrophobicContact CG-CD 4.24Å; R565-K621 PolarHBondContact N-O 3.24Å; M616-K621 HydrophobicContact SD-CB 4.33Å; T618-K621 WeakPolarHBondContact O-CE 3.47Å; T619-K621 PolarHBondContact O-N 3.42Å
622	R	90.5	Very high	92.5	Very high	38 Å²	38	39 Å²	39	14%	0.143	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	148.5	176.8	66.5	-176.1	-176	-75.8	-21.1	111.9	S74 M75 A560 R566 K615 V620	S74-R622 PolarHBondContact OG-NH2 2.92Å; M75-R622 PolarHBondContact SD-NE 2.82Å; M75-R622 PolarHBondContact SD-NH2 3.29Å; A560-R622 HydrophobicContact CB-CB 4.12Å; R566-R622 CarbonylContact O-C 3.51Å; R566-R622 VanDerWaalsContact O-CA 3.32Å; R566-R622 WeakPolarHBondContact O-CA 3.48Å; K615-R622 WeakPolarHBondContact CE-O 3.23Å; K615-R622 PolarHBondContact NZ-O 2.88Å; V620-R622 HydrophobicContact CG1-CG 4.31Å; V620-R622 PolarHBondContact O-N 2.92Å
623	G	92.4	Very high	92.6	Very high	5 Å²	5	46.3 Å²	46.3	5%	0.052	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	147.3	175.9	0	0	0	0	0	112.7	R566 V567 F568 D591	R566-G623 PolarHBondContact O-N 3.04Å; V567-G623 WeakPolarHBondContact CA-O 3.16Å; F568-G623 PolarHBondContact N-O 3.12Å; D591-G623 VanDerWaalsContact OD2-CA 3.24Å; D591-G623 WeakPolarHBondContact OD2-CA 3.35Å
624	L	94.8	Very high	92.7	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.021	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	124.4	172.8	-174.3	68.5	0	0	0	109.8	C553 K557 F568 I570 A588 A590 D591 L626	C553-L624 HydrophobicContact CB-CD2 4.08Å; K557-L624 HydrophobicContact CD-CD2 4.41Å; K557-L624 HydrophobicContact CG-CD2 4.5Å; F568-L624 HydrophobicContact CB-CD1 3.96Å; I570-L624 HydrophobicContact CD1-CD1 3.41Å; I570-L624 VanDerWaalsContact CD1-CD1 3.41Å; I570-L624 HydrophobicContact CG1-CD1 3.96Å; A588-L624 HydrophobicContact CB-CD2 3.97Å; A590-L624 HydrophobicContact CB-CB 4.46Å; A590-L624 HydrophobicContact CB-CD2 4.18Å; A590-L624 HydrophobicContact CB-CG 4.25Å; D591-L624 PolarHBondContact N-O 2.84Å; D591-L624 PolarHBondContact OD2-N 2.94Å; L624-L626 HydrophobicContact CD2-CD1 4.07Å; L624-L626 HydrophobicContact CG-CD1 4.09Å
625	V	96.8	Very high	92.9	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	126.6	-179.9	174.3	0	0	0	0	107.5	V567 F568 I569 I570 A592 Y594 L612 Y644	V567-V625 HydrophobicContact CG1-CG2 4.21Å; F568-V625 PolarHBondContact O-N 2.93Å; I569-V625 CarbonylContact C-O 3.54Å; I569-V625 WeakPolarHBondContact CA-O 3.37Å; I569-V625 HydrophobicContact CG1-CB 4.27Å; I570-V625 PolarHBondContact N-O 3.07Å; A592-V625 HydrophobicContact CB-CG1 4.41Å; A592-V625 HydrophobicContact CB-CG2 4.48Å; A592-V625 WeakPolarHBondContact O-CA 3.41Å; Y594-V625 HydrophobicContact CD2-CG1 3.87Å; Y594-V625 HydrophobicContact CE2-CG1 3.47Å; Y594-V625 VanDerWaalsContact CE2-CG1 3.47Å; L612-V625 HydrophobicContact CD1-CG2 4.18Å; V625-Y644 HydrophobicContact CG2-CE1 3.84Å
626	L	97.2	Very high	93.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	145.3	171.5	-74.3	82.7	0	0	0	109.8	I549 I570 T572 A581 A584 A590 A592 A593 Y594 L624	I549-L626 HydrophobicContact CG2-CD2 4.33Å; I570-L626 CarbonylContact O-C 3.09Å; I570-L626 WeakPolarHBondContact O-CA 3.4Å; T572-L626 HydrophobicContact CG2-CD2 3.87Å; A581-L626 HydrophobicContact CB-CB 4.48Å; A584-L626 HydrophobicContact CB-CD2 3.63Å; A590-L626 HydrophobicContact CB-CD1 3.22Å; A592-L626 PolarHBondContact O-N 3.02Å; A593-L626 CarbonylContact C-O 3.43Å; A593-L626 VanDerWaalsContact CA-O 3.25Å; A593-L626 WeakPolarHBondContact CA-O 3.44Å; A593-L626 HydrophobicContact CB-CB 4.27Å; Y594-L626 PolarHBondContact N-O 2.77Å; L624-L626 HydrophobicContact CD2-CD1 4.07Å; L624-L626 HydrophobicContact CG-CD1 4.09Å
627	R	97.3	Very high	93.4	Very high	11 Å²	11	49.5 Å²	49.5	4%	0.042	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	122.6	176.2	-176.8	-150.7	170.8	-108.1	-15.3	108.2	I570 E571 T572 E629 C631 N632 Y635 T637 I640	I570-R627 PolarHBondContact O-N 3.4Å; E571-R627 CarbonylContact C-O 3.52Å; E571-R627 VanDerWaalsContact CA-O 3.28Å; E571-R627 WeakPolarHBondContact CA-O 3.49Å; E571-R627 IonicContact OE2-CZ 2.75Å; E571-R627 IonicContact OE2-NH1 3.6Å; E571-R627 PolarHBondContact OE2-NH1 3.33Å; T572-R627 PolarHBondContact N-O 3.26Å; R627-E629 PolarHBondContact NH1-O 3.09Å; R627-E629 VanDerWaalsContact NH1-O 3.09Å; R627-E629 PolarHBondContact NH2-O 2.76Å; R627-C631 VanDerWaalsContact CG-SG 3.52Å; R627-N632 PolarHBondContact NH2-O 3.3Å; R627-Y635 PolarHBondContact NE-O 3.32Å; R627-Y635 VanDerWaalsContact NE-O 3.16Å; R627-T637 WeakPolarHBondContact CD-OG1 3.32Å; R627-T637 PolarHBondContact NH1-OG1 3.49Å; R627-I640 HydrophobicContact CG-CD1 4.19Å
628	N	97.7	Very high	93.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	137.4	166.8	162.7	-89.1	0	0	0	110.1	G575 C577 A581 Y594 I595 K630 C631	G575-N628 PolarHBondContact O-ND2 3.36Å; G575-N628 PolarHBondContact O-OD1 3.09Å; C577-N628 PolarHBondContact O-ND2 3.27Å; A581-N628 HydrophobicContact CB-CB 4.03Å; Y594-N628 PolarHBondContact O-N 3.45Å; I595-N628 HydrophobicContact CG2-CB 4.49Å; N628-K630 PolarHBondContact O-N 2.8Å; N628-K630 VanDerWaalsContact O-N 3.09Å; N628-K630 PolarHBondContact OD1-N 2.98Å; N628-K630 VanDerWaalsContact OD1-N 3.09Å; N628-C631 HydrophobicContact CB-CB 4.27Å; N628-C631 WeakPolarHBondContact O-CB 3.5Å; N628-C631 PolarHBondContact O-N 3.04Å; N628-C631 VanDerWaalsContact O-N 3.08Å; N628-C631 PolarHBondContact O-SG 3.14Å; N628-C631 PolarHBondContact OD1-N 2.91Å; N628-C631 VanDerWaalsContact OD1-N 3.08Å
629	E	96	Very high	94.2	Very high	60 Å²	60	48.4 Å²	48.4	28%	0.28	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-35	-173.6	56.8	179.5	168.2	0	0	114.8	E571 T572 G574 G575 R627	E571-E629 HydrophobicContact CG-CB 4.2Å; T572-E629 WeakPolarHBondContact O-CB 3.32Å; T572-E629 PolarHBondContact O-N 3.24Å; G574-E629 PolarHBondContact N-OE1 3.34Å; G575-E629 WeakPolarHBondContact CA-OE1 3.46Å; G575-E629 PolarHBondContact N-OE1 2.75Å; R627-E629 PolarHBondContact NH1-O 3.09Å; R627-E629 VanDerWaalsContact NH1-O 3.09Å; R627-E629 PolarHBondContact NH2-O 2.76Å
630	K	96.4	Very high	94.7	Very high	97 Å²	97	42.8 Å²	42.8	42%	0.422	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.4	26.8	-179.9	-60.1	-165.5	173.3	-163	0	113.7	G575 Y576 N628 N632	G575-K630 WeakPolarHBondContact O-CB 3.45Å; Y576-K630 HydrophobicContact CD1-CB 3.76Å; Y576-K630 HydrophobicContact CD1-CD 4.35Å; Y576-K630 WeakPolarHBondContact CD1-O 3.49Å; Y576-K630 HydrophobicContact CD2-CB 4.49Å; Y576-K630 HydrophobicContact CD2-CD 3.77Å; Y576-K630 HydrophobicContact CE1-CB 3.85Å; Y576-K630 HydrophobicContact CE1-CD 4.07Å; Y576-K630 HydrophobicContact CE2-CD 3.44Å; Y576-K630 VanDerWaalsContact CE2-CD 3.44Å; Y576-K630 HydrophobicContact CG-CB 4.11Å; Y576-K630 HydrophobicContact CG-CD 4.22Å; N628-K630 PolarHBondContact O-N 2.8Å; N628-K630 VanDerWaalsContact O-N 3.09Å; N628-K630 PolarHBondContact OD1-N 2.98Å; N628-K630 VanDerWaalsContact OD1-N 3.09Å; K630-N632 PolarHBondContact O-N 2.84Å
631	C	95.8	Very high	95.3	Very high	6 Å²	6	44.2 Å²	44.2	4%	0.041	21%	0.212	C	C	.	.	S	Bend	trans	-62.2	-32.7	177.9	67.1	0	0	0	0	113	I595 F600 R627 N628	I595-C631 VanDerWaalsContact C-CB 3.46Å; F600-C631 HydrophobicContact CE1-CB 4.07Å; R627-C631 VanDerWaalsContact CG-SG 3.52Å; N628-C631 HydrophobicContact CB-CB 4.27Å; N628-C631 WeakPolarHBondContact O-CB 3.5Å; N628-C631 PolarHBondContact O-N 3.04Å; N628-C631 VanDerWaalsContact O-N 3.08Å; N628-C631 PolarHBondContact O-SG 3.14Å; N628-C631 PolarHBondContact OD1-N 2.91Å; N628-C631 VanDerWaalsContact OD1-N 3.08Å
632	N	96.1	Very high	95.8	Very high	46 Å²	46	45.4 Å²	45.4	25%	0.246	22%	0.222	C	C	.	.			trans	-161.3	141.6	176.2	-168.1	-78.8	0	0	0	109.3	F600 R627 K630 N634 Y635	F600-N632 HydrophobicContact CE1-CB 4.21Å; F600-N632 HydrophobicContact CZ-CB 3.94Å; R627-N632 PolarHBondContact NH2-O 3.3Å; K630-N632 PolarHBondContact O-N 2.84Å; N632-N634 PolarHBondContact OD1-N 2.96Å; N632-Y635 HydrophobicContact CB-CD2 4.05Å; N632-Y635 HydrophobicContact CB-CG 4.41Å; N632-Y635 VanDerWaalsContact CG-CD2 3.49Å; N632-Y635 PolarHBondContact OD1-N 3.19Å
633	E	94	Very high	96.1	Very high	155 Å²	155	45.1 Å²	45.1	72%	0.724	22%	0.223	S	C	*	.	S	Bend	trans	-73.3	-33.2	-179.3	-61.9	-172.4	159.9	0	0	113	T636	E633-T636 WeakPolarHBondContact O-CG2 3.29Å
634	N	95.6	Very high	96.3	Very high	124 Å²	124	44.9 Å²	44.9	66%	0.663	22%	0.221	S	C	*	.	S	Bend	trans	-94	-39	-176	-62.4	-55.1	0	0	0	112.2	N632 T636	N632-N634 PolarHBondContact OD1-N 2.96Å; N634-T636 PolarHBondContact O-N 2.85Å
635	Y	95.3	Very high	96.3	Very high	56 Å²	56	46.3 Å²	46.3	22%	0.22	23%	0.231	C	C	.	.	S	Bend	trans	-82.7	65.1	176.1	-50.2	-41.2	0	0	0	110.8	F600 L605 R627 N632 F639	F600-Y635 AromaticContact CD2-CD2 3.99Å; F600-Y635 HydrophobicContact CD2-CD2 3.99Å; F600-Y635 AromaticContact CE2-CD2 3.44Å; F600-Y635 HydrophobicContact CE2-CD2 3.44Å; F600-Y635 VanDerWaalsContact CE2-CD2 3.44Å; F600-Y635 HydrophobicContact CE2-CE2 4.38Å; F600-Y635 AromaticContact CE2-CG 3.94Å; F600-Y635 HydrophobicContact CE2-CG 3.94Å; F600-Y635 AromaticContact CZ-CD2 3.95Å; F600-Y635 HydrophobicContact CZ-CD2 3.95Å; F600-Y635 HydrophobicContact CZ-CG 4.43Å; F600-Y635 WeakPolarHBondContact O-CE2 3.48Å; L605-Y635 HydrophobicContact CD1-CD1 4.42Å; L605-Y635 HydrophobicContact CD1-CG 4.38Å; R627-Y635 PolarHBondContact NE-O 3.32Å; R627-Y635 VanDerWaalsContact NE-O 3.16Å; N632-Y635 HydrophobicContact CB-CD2 4.05Å; N632-Y635 HydrophobicContact CB-CG 4.41Å; N632-Y635 VanDerWaalsContact CG-CD2 3.49Å; N632-Y635 PolarHBondContact OD1-N 3.19Å; Y635-F639 AromaticContact CD1-CD1 3.72Å; Y635-F639 HydrophobicContact CD1-CD1 3.72Å; Y635-F639 AromaticContact CD1-CE1 3.52Å; Y635-F639 HydrophobicContact CD1-CE1 3.52Å; Y635-F639 HydrophobicContact CD1-CG 4.48Å; Y635-F639 HydrophobicContact CD1-CZ 4.14Å; Y635-F639 HydrophobicContact CE1-CE1 4.02Å; Y635-F639 HydrophobicContact CE1-CZ 4.28Å; Y635-F639 HydrophobicContact CG-CD1 4.43Å; Y635-F639 HydrophobicContact CG-CE1 4.47Å
636	T	96	Very high	96.3	Very high	54 Å²	54	51.6 Å²	51.6	33%	0.331	26%	0.256	S	S	.	.			trans	-66.9	165.3	176.9	65.7	0	0	0	0	111.4	E633 N634 D638 F639 I640	E633-T636 WeakPolarHBondContact O-CG2 3.29Å; N634-T636 PolarHBondContact O-N 2.85Å; T636-D638 PolarHBondContact O-N 2.8Å; T636-D638 PolarHBondContact OG1-N 3.26Å; T636-F639 PolarHBondContact O-N 3.35Å; T636-F639 VanDerWaalsContact O-N 3.16Å; T636-F639 PolarHBondContact OG1-N 3.15Å; T636-F639 VanDerWaalsContact OG1-N 3.11Å; T636-I640 WeakPolarHBondContact O-CG1 3.49Å; T636-I640 PolarHBondContact O-N 3.41Å
637	T	96.5	Very high	96.1	Very high	4 Å²	4	57 Å²	57	3%	0.025	28%	0.281	C	S	.	.	H	α-helix	trans	-54.6	-35.7	172	-64.7	0	0	0	0	111.7	I569 E571 R627 F641 K656	I569-T637 HydrophobicContact CG2-CG2 4.18Å; E571-T637 WeakPolarHBondContact OE2-CB 3.4Å; E571-T637 PolarHBondContact OE2-OG1 2.98Å; R627-T637 WeakPolarHBondContact CD-OG1 3.32Å; R627-T637 PolarHBondContact NH1-OG1 3.49Å; T637-F641 WeakPolarHBondContact O-CB 3.26Å; T637-F641 PolarHBondContact O-N 3.07Å; T637-K656 HydrophobicContact CG2-CB 3.78Å; T637-K656 HydrophobicContact CG2-CD 4.34Å
638	D	96.7	Very high	95.9	Very high	77 Å²	77	56.5 Å²	56.5	41%	0.412	28%	0.279	S	S	.	.	H	α-helix	trans	-71.5	-41.7	178.8	-70.9	-4.5	0	0	0	112.2	T636 F641 N642 K656	T636-D638 PolarHBondContact O-N 2.8Å; T636-D638 PolarHBondContact OG1-N 3.26Å; D638-F641 PolarHBondContact O-N 2.97Å; D638-N642 WeakPolarHBondContact O-CB 3.41Å; D638-N642 VanDerWaalsContact O-CG 3.22Å; D638-N642 PolarHBondContact O-N 2.92Å; D638-N642 PolarHBondContact O-ND2 3.08Å; D638-K656 VanDerWaalsContact CG-NZ 3.26Å; D638-K656 VanDerWaalsContact OD1-CD 3.26Å; D638-K656 WeakPolarHBondContact OD1-CD 3.27Å; D638-K656 WeakPolarHBondContact OD1-CE 3.48Å; D638-K656 IonicContact OD1-NZ 3.42Å; D638-K656 PolarHBondContact OD1-NZ 3.3Å; D638-K656 IonicContact OD2-NZ 2.93Å
639	F	96.6	Very high	95.6	Very high	76 Å²	76	63.2 Å²	63.2	33%	0.333	31%	0.308	S	S	.	.	H	α-helix	trans	-60.8	-52.2	174.3	178.3	-90.5	0	0	0	111.3	I602 L605 Y635 T636 F641 N642 L643	I602-F639 HydrophobicContact CD1-CE1 4.28Å; I602-F639 HydrophobicContact CD1-CZ 4.21Å; L605-F639 HydrophobicContact CD1-CD1 4.46Å; L605-F639 HydrophobicContact CD1-CE1 3.94Å; Y635-F639 AromaticContact CD1-CD1 3.72Å; Y635-F639 HydrophobicContact CD1-CD1 3.72Å; Y635-F639 AromaticContact CD1-CE1 3.52Å; Y635-F639 HydrophobicContact CD1-CE1 3.52Å; Y635-F639 HydrophobicContact CD1-CG 4.48Å; Y635-F639 HydrophobicContact CD1-CZ 4.14Å; Y635-F639 HydrophobicContact CE1-CE1 4.02Å; Y635-F639 HydrophobicContact CE1-CZ 4.28Å; Y635-F639 HydrophobicContact CG-CD1 4.43Å; Y635-F639 HydrophobicContact CG-CE1 4.47Å; T636-F639 PolarHBondContact O-N 3.35Å; T636-F639 VanDerWaalsContact O-N 3.16Å; T636-F639 PolarHBondContact OG1-N 3.15Å; T636-F639 VanDerWaalsContact OG1-N 3.11Å; F639-F641 VanDerWaalsContact C-N 3.27Å; F639-F641 PolarHBondContact O-N 3.42Å; F639-N642 PolarHBondContact O-N 3.21Å; F639-L643 HydrophobicContact CE1-CD2 4.18Å; F639-L643 WeakPolarHBondContact O-CB 3.3Å; F639-L643 PolarHBondContact O-N 2.92Å
640	I	96.5	Very high	95.3	Very high	0 Å²	0	64 Å²	64	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-60.9	-40.9	180	-62.5	172.9	0	0	0	110.1	I569 Y594 L605 R627 T636 L643 Y644	I569-I640 HydrophobicContact CD1-CB 4.49Å; I569-I640 HydrophobicContact CD1-CG2 3.84Å; I569-I640 HydrophobicContact CG1-CG2 4.28Å; I569-I640 HydrophobicContact CG2-CG2 4.35Å; Y594-I640 HydrophobicContact CD2-CD1 3.99Å; Y594-I640 HydrophobicContact CE2-CD1 4.26Å; L605-I640 HydrophobicContact CD2-CG1 4.42Å; R627-I640 HydrophobicContact CG-CD1 4.19Å; T636-I640 WeakPolarHBondContact O-CG1 3.49Å; T636-I640 PolarHBondContact O-N 3.41Å; I640-L643 PolarHBondContact O-N 3.23Å; I640-Y644 HydrophobicContact CG2-CD2 3.75Å; I640-Y644 HydrophobicContact CG2-CE2 3.68Å; I640-Y644 HydrophobicContact CG2-CG 4.41Å; I640-Y644 VanDerWaalsContact O-CB 3.31Å; I640-Y644 WeakPolarHBondContact O-CB 3.43Å; I640-Y644 WeakPolarHBondContact O-CD2 3.47Å; I640-Y644 PolarHBondContact O-N 3.43Å
641	F	96.8	Very high	95.1	Very high	41 Å²	41	62.2 Å²	62.2	18%	0.18	33%	0.327	C	S	.	.	H	α-helix	trans	-60.3	-48.1	175.9	165.7	-99	0	0	0	112.7	I569 T637 D638 F639 S645 S654 K656	I569-F641 HydrophobicContact CD1-CB 3.93Å; T637-F641 WeakPolarHBondContact O-CB 3.26Å; T637-F641 PolarHBondContact O-N 3.07Å; D638-F641 PolarHBondContact O-N 2.97Å; F639-F641 VanDerWaalsContact C-N 3.27Å; F639-F641 PolarHBondContact O-N 3.42Å; F641-S645 VanDerWaalsContact O-CB 3.29Å; F641-S645 WeakPolarHBondContact O-CB 3.31Å; F641-S645 PolarHBondContact O-N 3.04Å; F641-S645 PolarHBondContact O-OG 3.15Å; F641-S654 WeakPolarHBondContact CE2-O 3.48Å; F641-K656 HydrophobicContact CB-CB 4.32Å; F641-K656 HydrophobicContact CB-CD 4.39Å; F641-K656 HydrophobicContact CD1-CD 4.38Å; F641-K656 HydrophobicContact CD2-CB 4.22Å; F641-K656 HydrophobicContact CD2-CG 4.45Å; F641-K656 HydrophobicContact CG-CB 4.35Å; F641-K656 HydrophobicContact CG-CD 4.22Å; F641-K656 HydrophobicContact CG-CG 4.46Å
642	N	96.9	Very high	95	Very high	98 Å²	98	62.5 Å²	62.5	52%	0.524	33%	0.328	S	S	.	.	H	α-helix	trans	-65	-45.3	179.5	-70.5	-22.5	0	0	0	111.1	D638 F639 S645 E646	D638-N642 WeakPolarHBondContact O-CB 3.41Å; D638-N642 VanDerWaalsContact O-CG 3.22Å; D638-N642 PolarHBondContact O-N 2.92Å; D638-N642 PolarHBondContact O-ND2 3.08Å; F639-N642 PolarHBondContact O-N 3.21Å; N642-S645 PolarHBondContact O-N 3.43Å; N642-E646 PolarHBondContact O-N 2.96Å
643	L	96	Very high	94.8	Very high	33 Å²	33	63.3 Å²	63.3	17%	0.173	33%	0.332	C	S	.	.	H	α-helix	trans	-57.5	-53.1	176.7	177.7	67	0	0	0	111.4	I602 L605 F639 I640 S645 E646 E647	I602-L643 HydrophobicContact CD1-CD1 4.3Å; I602-L643 HydrophobicContact CD1-CD2 3.66Å; L605-L643 HydrophobicContact CB-CD2 3.71Å; L605-L643 HydrophobicContact CD1-CD2 3.77Å; L605-L643 HydrophobicContact CG-CD2 4.36Å; F639-L643 HydrophobicContact CE1-CD2 4.18Å; F639-L643 WeakPolarHBondContact O-CB 3.3Å; F639-L643 PolarHBondContact O-N 2.92Å; I640-L643 PolarHBondContact O-N 3.23Å; L643-S645 VanDerWaalsContact C-N 3.25Å; L643-S645 PolarHBondContact O-N 2.68Å; L643-E646 PolarHBondContact O-N 3.23Å; L643-E647 HydrophobicContact CD1-CG 3.81Å; L643-E647 HydrophobicContact CG-CG 4.38Å; L643-E647 WeakPolarHBondContact O-CB 3.43Å; L643-E647 WeakPolarHBondContact O-CG 3.5Å; L643-E647 PolarHBondContact O-N 2.92Å
644	Y	96.5	Very high	94.9	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-64.2	-31.4	-179.7	-84.8	-130.9	0	0	0	112.5	V567 I569 Y594 N608 V609 L612 V625 I640 G648 F652	V567-Y644 HydrophobicContact CG1-CD1 4.13Å; V567-Y644 HydrophobicContact CG1-CE1 4.45Å; I569-Y644 HydrophobicContact CD1-CD1 4.47Å; I569-Y644 HydrophobicContact CD1-CG 4.34Å; Y594-Y644 PolarHBondContact OH-OH 3.2Å; N608-Y644 WeakPolarHBondContact CB-OH 3.28Å; V609-Y644 HydrophobicContact CG2-CD1 4.05Å; V609-Y644 HydrophobicContact CG2-CD2 3.45Å; V609-Y644 VanDerWaalsContact CG2-CD2 3.45Å; V609-Y644 HydrophobicContact CG2-CE1 4.06Å; V609-Y644 HydrophobicContact CG2-CE2 3.46Å; V609-Y644 VanDerWaalsContact CG2-CE2 3.46Å; V609-Y644 HydrophobicContact CG2-CG 3.75Å; L612-Y644 HydrophobicContact CD1-CD1 4.03Å; L612-Y644 HydrophobicContact CD1-CE1 3.46Å; L612-Y644 VanDerWaalsContact CD1-CE1 3.46Å; V625-Y644 HydrophobicContact CG2-CE1 3.84Å; I640-Y644 HydrophobicContact CG2-CD2 3.75Å; I640-Y644 HydrophobicContact CG2-CE2 3.68Å; I640-Y644 HydrophobicContact CG2-CG 4.41Å; I640-Y644 VanDerWaalsContact O-CB 3.31Å; I640-Y644 WeakPolarHBondContact O-CB 3.43Å; I640-Y644 WeakPolarHBondContact O-CD2 3.47Å; I640-Y644 PolarHBondContact O-N 3.43Å; Y644-G648 WeakPolarHBondContact O-CA 3.27Å; Y644-G648 PolarHBondContact O-N 3.35Å; Y644-F652 WeakPolarHBondContact O-CE2 3.43Å
645	S	95.7	Very high	94.8	Very high	33 Å²	33	54.7 Å²	54.7	23%	0.231	28%	0.284	C	S	.	.	H	α-helix	trans	-70.4	-40.3	176.9	-59.3	0	0	0	0	112.2	F641 N642 L643 K649 S654	F641-S645 VanDerWaalsContact O-CB 3.29Å; F641-S645 WeakPolarHBondContact O-CB 3.31Å; F641-S645 PolarHBondContact O-N 3.04Å; F641-S645 PolarHBondContact O-OG 3.15Å; N642-S645 PolarHBondContact O-N 3.43Å; L643-S645 VanDerWaalsContact C-N 3.25Å; L643-S645 PolarHBondContact O-N 2.68Å; S645-K649 PolarHBondContact O-N 3.34Å; S645-S654 WeakPolarHBondContact OG-CB 3.23Å
646	E	96.3	Very high	94.8	Very high	112 Å²	112	56.6 Å²	56.6	52%	0.523	29%	0.293	S	S	.	.	H	α-helix	trans	-76	-47.4	179.3	-166.5	59.7	-148.7	0	0	111.4	N642 L643 G648 K649	N642-E646 PolarHBondContact O-N 2.96Å; L643-E646 PolarHBondContact O-N 3.23Å; E646-G648 VanDerWaalsContact C-N 3.33Å; E646-G648 PolarHBondContact O-N 3.21Å; E646-K649 WeakPolarHBondContact O-CB 3.36Å; E646-K649 PolarHBondContact O-N 3.33Å; E646-K649 IonicContact OE1-NZ 3.11Å; E646-K649 PolarHBondContact OE1-NZ 3.48Å; E646-K649 IonicContact OE2-NZ 2.76Å
647	E	94.4	Very high	94.8	Very high	115 Å²	115	56.7 Å²	56.7	54%	0.537	29%	0.291	S	S	.	.	H	α-helix	trans	-71.2	-28.4	-179.9	-63.2	-59.5	142.7	0	0	112.5	V609 L643 K649	V609-E647 HydrophobicContact CG1-CB 3.69Å; L643-E647 HydrophobicContact CD1-CG 3.81Å; L643-E647 HydrophobicContact CG-CG 4.38Å; L643-E647 WeakPolarHBondContact O-CB 3.43Å; L643-E647 WeakPolarHBondContact O-CG 3.5Å; L643-E647 PolarHBondContact O-N 2.92Å; E647-K649 VanDerWaalsContact C-N 3.33Å
648	G	92.2	Very high	94.7	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-4.6	175.3	0	0	0	0	0	114.5	Y644 E646 G650 I651 F652	Y644-G648 WeakPolarHBondContact O-CA 3.27Å; Y644-G648 PolarHBondContact O-N 3.35Å; E646-G648 VanDerWaalsContact C-N 3.33Å; E646-G648 PolarHBondContact O-N 3.21Å; G648-G650 PolarHBondContact O-N 3.15Å; G648-I651 WeakPolarHBondContact O-CA 3.48Å; G648-I651 WeakPolarHBondContact O-CB 3.41Å; G648-I651 PolarHBondContact O-N 2.7Å; G648-F652 PolarHBondContact O-N 3.21Å; G648-F652 VanDerWaalsContact O-O 3.13Å
649	K	90.6	Very high	94.7	Very high	140 Å²	140	56.7 Å²	56.7	61%	0.609	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	130.5	-169.9	-170.9	176.4	-172.1	170	0	112.2	S645 E646 E647 I651	S645-K649 PolarHBondContact O-N 3.34Å; E646-K649 WeakPolarHBondContact O-CB 3.36Å; E646-K649 PolarHBondContact O-N 3.33Å; E646-K649 IonicContact OE1-NZ 3.11Å; E646-K649 PolarHBondContact OE1-NZ 3.48Å; E646-K649 IonicContact OE2-NZ 2.76Å; E647-K649 VanDerWaalsContact C-N 3.33Å; K649-I651 PolarHBondContact O-N 3.32Å
650	G	89.8	Confident	94.6	Very high	77 Å²	77	54.1 Å²	54.1	79%	0.794	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	-14.4	-175.6	0	0	0	0	0	114.9	G648	G648-G650 PolarHBondContact O-N 3.15Å
651	I	92.7	Very high	94.5	Very high	59 Å²	59	60.8 Å²	60.8	30%	0.303	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-47.1	-179.6	-54.4	-176.9	0	0	0	111.1	R565 V613 M616 G648 K649	R565-I651 WeakPolarHBondContact CD-O 3.17Å; V613-I651 HydrophobicContact CB-CD1 4.38Å; V613-I651 HydrophobicContact CG1-CD1 3.51Å; V613-I651 HydrophobicContact CG1-CG2 4.37Å; V613-I651 HydrophobicContact CG2-CD1 4.02Å; V613-I651 HydrophobicContact CG2-CG2 4.48Å; M616-I651 HydrophobicContact CB-CG2 3.91Å; M616-I651 HydrophobicContact CG-CG2 4.46Å; G648-I651 WeakPolarHBondContact O-CA 3.48Å; G648-I651 WeakPolarHBondContact O-CB 3.41Å; G648-I651 PolarHBondContact O-N 2.7Å; K649-I651 PolarHBondContact O-N 3.32Å
652	F	93.5	Very high	94.4	Very high	12 Å²	12	64.2 Å²	64.2	5%	0.053	34%	0.338	C	S	.	.			trans	-146.4	159.4	174.3	63.3	-102.2	0	0	0	112.4	R565 V567 V609 L612 V613 M616 Y644 G648 S654	R565-F652 HydrophobicContact CB-CB 4.4Å; R565-F652 CarbonylContact O-C 3.41Å; R565-F652 VanDerWaalsContact O-CA 3.26Å; R565-F652 WeakPolarHBondContact O-CA 3.45Å; R565-F652 VanDerWaalsContact O-CB 3.32Å; R565-F652 WeakPolarHBondContact O-CB 3.29Å; V567-F652 HydrophobicContact CB-CD2 4Å; V567-F652 HydrophobicContact CB-CE2 4.06Å; V567-F652 HydrophobicContact CG2-CB 4.38Å; V567-F652 HydrophobicContact CG2-CD1 4.25Å; V567-F652 HydrophobicContact CG2-CD2 3.36Å; V567-F652 HydrophobicContact CG2-CE1 4.37Å; V567-F652 HydrophobicContact CG2-CE2 3.53Å; V567-F652 HydrophobicContact CG2-CG 3.75Å; V567-F652 HydrophobicContact CG2-CZ 4.04Å; V609-F652 HydrophobicContact CG1-CZ 4.21Å; L612-F652 HydrophobicContact CB-CE1 4.12Å; L612-F652 HydrophobicContact CB-CZ 4.47Å; V613-F652 HydrophobicContact CG2-CD1 4.43Å; V613-F652 HydrophobicContact CG2-CE1 3.8Å; M616-F652 HydrophobicContact CE-CB 3.89Å; M616-F652 HydrophobicContact CE-CD1 4.28Å; M616-F652 HydrophobicContact CE-CG 4.13Å; M616-F652 HydrophobicContact CG-CB 4.08Å; M616-F652 HydrophobicContact CG-CD1 3.89Å; M616-F652 HydrophobicContact CG-CG 4.37Å; M616-F652 HydrophobicContact SD-CB 4.25Å; Y644-F652 WeakPolarHBondContact O-CE2 3.43Å; G648-F652 PolarHBondContact O-N 3.21Å; G648-F652 VanDerWaalsContact O-O 3.13Å; F652-S654 WeakPolarHBondContact CE2-OG 3.23Å
653	D	93.2	Very high	94.4	Very high	63 Å²	63	59.7 Å²	59.7	34%	0.337	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	145.4	171.6	-172.7	14.2	0	0	0	109.6	R565 R566 V567 R655	R565-D653 PolarHBondContact O-N 2.81Å; R566-D653 CarbonylContact C-O 3.53Å; R566-D653 VanDerWaalsContact CA-O 3.27Å; R566-D653 WeakPolarHBondContact CA-O 3.43Å; V567-D653 PolarHBondContact N-O 3.17Å; D653-R655 IonicContact OD1-CZ 3.89Å; D653-R655 IonicContact OD1-NH1 2.71Å; D653-R655 PolarHBondContact OD1-NH1 3.41Å; D653-R655 IonicContact OD2-CZ 2.59Å; D653-R655 IonicContact OD2-NH1 2.85Å; D653-R655 PolarHBondContact OD2-NH1 3.17Å; D653-R655 IonicContact OD2-NH2 3.1Å; D653-R655 PolarHBondContact OD2-NH2 3.26Å
654	S	94.2	Very high	94.3	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	151	-179.7	-64.7	0	0	0	0	110.9	V567 F641 S645 F652	V567-S654 CarbonylContact O-C 3.38Å; V567-S654 VanDerWaalsContact O-CA 3.31Å; V567-S654 WeakPolarHBondContact O-CA 3.25Å; F641-S654 WeakPolarHBondContact CE2-O 3.48Å; S645-S654 WeakPolarHBondContact OG-CB 3.23Å; F652-S654 WeakPolarHBondContact CE2-OG 3.23Å
655	R	94.9	Very high	94.1	Very high	99 Å²	99	61.4 Å²	61.4	37%	0.374	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	142.5	170.7	-71.1	-65.3	178.6	-86.2	-6.4	109.4	V567 F568 I569 D653	V567-R655 PolarHBondContact O-N 3.02Å; F568-R655 CarbonylContact C-O 3.4Å; F568-R655 VanDerWaalsContact CA-O 3.31Å; F568-R655 WeakPolarHBondContact CA-O 3.27Å; F568-R655 HydrophobicContact CD1-CB 3.6Å; F568-R655 HydrophobicContact CE1-CB 3.48Å; F568-R655 VanDerWaalsContact CE1-CB 3.48Å; F568-R655 HydrophobicContact CE1-CG 4.09Å; F568-R655 HydrophobicContact CG-CB 4.37Å; F568-R655 HydrophobicContact CZ-CB 4.17Å; F568-R655 HydrophobicContact CZ-CG 4.36Å; I569-R655 PolarHBondContact N-O 3.4Å; D653-R655 IonicContact OD1-CZ 3.89Å; D653-R655 IonicContact OD1-NH1 2.71Å; D653-R655 PolarHBondContact OD1-NH1 3.41Å; D653-R655 IonicContact OD2-CZ 2.59Å; D653-R655 IonicContact OD2-NH1 2.85Å; D653-R655 PolarHBondContact OD2-NH1 3.17Å; D653-R655 IonicContact OD2-NH2 3.1Å; D653-R655 PolarHBondContact OD2-NH2 3.26Å
656	K	94.8	Very high	93.9	Very high	96 Å²	96	62.3 Å²	62.3	42%	0.417	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	147.5	174	64.3	-176.4	-177.6	-176.1	0	111.1	I569 T637 D638 F641	I569-K656 CarbonylContact O-C 3.6Å; I569-K656 VanDerWaalsContact O-CA 3.31Å; I569-K656 WeakPolarHBondContact O-CA 3.34Å; T637-K656 HydrophobicContact CG2-CB 3.78Å; T637-K656 HydrophobicContact CG2-CD 4.34Å; D638-K656 VanDerWaalsContact CG-NZ 3.26Å; D638-K656 VanDerWaalsContact OD1-CD 3.26Å; D638-K656 WeakPolarHBondContact OD1-CD 3.27Å; D638-K656 WeakPolarHBondContact OD1-CE 3.48Å; D638-K656 IonicContact OD1-NZ 3.42Å; D638-K656 PolarHBondContact OD1-NZ 3.3Å; D638-K656 IonicContact OD2-NZ 2.93Å; F641-K656 HydrophobicContact CB-CB 4.32Å; F641-K656 HydrophobicContact CB-CD 4.39Å; F641-K656 HydrophobicContact CD1-CD 4.38Å; F641-K656 HydrophobicContact CD2-CB 4.22Å; F641-K656 HydrophobicContact CD2-CG 4.45Å; F641-K656 HydrophobicContact CG-CB 4.35Å; F641-K656 HydrophobicContact CG-CD 4.22Å; F641-K656 HydrophobicContact CG-CG 4.46Å
657	N	95.1	Very high	93.8	Very high	55 Å²	55	60.4 Å²	60.4	29%	0.294	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	120	174.2	-155.1	-20	0	0	0	110.3	I556 I569 I570 E571	I556-N657 HydrophobicContact CD1-CB 4.33Å; I556-N657 WeakPolarHBondContact CD1-ND2 3.49Å; I569-N657 PolarHBondContact O-N 2.82Å; I570-N657 CarbonylContact C-O 3.52Å; I570-N657 WeakPolarHBondContact CA-O 3.14Å; I570-N657 HydrophobicContact CG1-CB 4.49Å; E571-N657 PolarHBondContact N-O 3.48Å
658	V	96.2	Very high	93.9	Very high	76 Å²	76	55.1 Å²	55.1	46%	0.461	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	106.3	176.8	179.7	0	0	0	0	107.6	E571 G660	E571-V658 HydrophobicContact CB-CB 4.39Å; E571-V658 HydrophobicContact CB-CG1 4.32Å; E571-V658 HydrophobicContact CB-CG2 4.05Å; V658-G660 VanDerWaalsContact C-N 3.25Å; V658-G660 PolarHBondContact O-N 3.14Å
659	L	95.5	Very high	94.2	Very high	5 Å²	5	55.6 Å²	55.6	3%	0.026	32%	0.321	C	S	.	.			trans	-67.5	-30.6	-173.5	-59	-173.7	0	0	0	112.3	I549 T552 I570 E571 M662 Q663	I549-L659 HydrophobicContact CB-CD1 4.24Å; I549-L659 HydrophobicContact CG1-CD1 3.98Å; I549-L659 HydrophobicContact CG2-CD1 3.88Å; T552-L659 HydrophobicContact CG2-CD2 3.51Å; I570-L659 HydrophobicContact CG2-CD1 3.69Å; I570-L659 HydrophobicContact CG2-CD2 4Å; I570-L659 HydrophobicContact CG2-CG 3.65Å; E571-L659 PolarHBondContact O-N 3.08Å; L659-M662 VanDerWaalsContact O-CE 3.3Å; L659-M662 WeakPolarHBondContact O-CE 3.21Å; L659-M662 PolarHBondContact O-N 2.93Å; L659-Q663 HydrophobicContact CB-CG 3.78Å; L659-Q663 HydrophobicContact CD1-CG 4.17Å
660	G	94.8	Very high	94.5	Very high	22 Å²	22	49.1 Å²	49.1	23%	0.227	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	54	-141.3	179	0	0	0	0	0	112.7	M573 V658 M662 Q663	M573-G660 VanDerWaalsContact SD-O 3.39Å; V658-G660 VanDerWaalsContact C-N 3.25Å; V658-G660 PolarHBondContact O-N 3.14Å; G660-M662 PolarHBondContact O-N 2.93Å; G660-M662 VanDerWaalsContact O-N 3.16Å; G660-Q663 WeakPolarHBondContact O-CG 3.43Å; G660-Q663 PolarHBondContact O-N 3.32Å; G660-Q663 PolarHBondContact O-NE2 2.86Å
661	H	95	Very high	94.8	Very high	140 Å²	140	48.3 Å²	48.3	65%	0.648	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-68.1	-12.5	-172.6	-68.4	83.7	0	0	0	114.8	Q663 Q664	H661-Q663 PolarHBondContact O-N 3.28Å; H661-Q663 VanDerWaalsContact O-N 3.07Å; H661-Q664 WeakPolarHBondContact O-CB 3.49Å; H661-Q664 PolarHBondContact O-N 3.47Å
662	M	94.3	Very high	95	Very high	114 Å²	114	45.5 Å²	45.5	56%	0.562	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-55.5	-28.5	173	-65.9	-170.5	-68.8	0	0	111.5	T548 L659 G660 Q664 G665	T548-M662 VanDerWaalsContact CG2-O 3.23Å; T548-M662 WeakPolarHBondContact CG2-O 2.87Å; L659-M662 VanDerWaalsContact O-CE 3.3Å; L659-M662 WeakPolarHBondContact O-CE 3.21Å; L659-M662 PolarHBondContact O-N 2.93Å; G660-M662 PolarHBondContact O-N 2.93Å; G660-M662 VanDerWaalsContact O-N 3.16Å; M662-Q664 PolarHBondContact O-N 3.39Å; M662-Q664 VanDerWaalsContact O-N 3.17Å; M662-G665 PolarHBondContact O-N 2.91Å
663	Q	96.4	Very high	95.1	Very high	3 Å²	3	45.1 Å²	45.1	1%	0.014	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-63.8	-15.3	177.8	-63.6	174.2	85	0	0	114.1	A545 I549 T572 M573 L659 G660 H661 G665	A545-Q663 WeakPolarHBondContact CA-O 3.39Å; A545-Q663 WeakPolarHBondContact CB-O 3.39Å; I549-Q663 HydrophobicContact CD1-CG 4.26Å; I549-Q663 VanDerWaalsContact CD1-OE1 3.3Å; I549-Q663 HydrophobicContact CG1-CB 4.47Å; I549-Q663 HydrophobicContact CG1-CG 3.76Å; T572-Q663 VanDerWaalsContact CA-OE1 3.27Å; M573-Q663 VanDerWaalsContact CG-NE2 3.29Å; M573-Q663 HydrophobicContact SD-CB 4.25Å; L659-Q663 HydrophobicContact CB-CG 3.78Å; L659-Q663 HydrophobicContact CD1-CG 4.17Å; G660-Q663 WeakPolarHBondContact O-CG 3.43Å; G660-Q663 PolarHBondContact O-N 3.32Å; G660-Q663 PolarHBondContact O-NE2 2.86Å; H661-Q663 PolarHBondContact O-N 3.28Å; H661-Q663 VanDerWaalsContact O-N 3.07Å; Q663-G665 PolarHBondContact O-N 3.13Å
664	Q	94.5	Very high	95.2	Very high	38 Å²	38	42.8 Å²	42.8	18%	0.178	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-70.5	-13.5	171.5	-67.2	176.5	-5.1	0	0	112.6	V529 H661 M662	V529-Q664 HydrophobicContact CG1-CG 4.32Å; H661-Q664 WeakPolarHBondContact O-CB 3.49Å; H661-Q664 PolarHBondContact O-N 3.47Å; M662-Q664 PolarHBondContact O-N 3.39Å; M662-Q664 VanDerWaalsContact O-N 3.17Å
665	G	91.9	Very high	95.3	Very high	30 Å²	30	43.3 Å²	43.3	31%	0.309	24%	0.241	S	C	.	.			trans	72.6	179.6	-178.2	0	0	0	0	0	113.1	M662 Q663	M662-G665 PolarHBondContact O-N 2.91Å; Q663-G665 PolarHBondContact O-N 3.13Å
666	G	92.2	Very high	95.4	Very high	53 Å²	53	38.6 Å²	38.6	55%	0.546	22%	0.224	S	C	.	.	S	Bend	trans	-102.6	-104.1	169.7	0	0	0	0	0	109.3	G463	G463-G666 WeakPolarHBondContact CA-O 3.31Å
667	S	93.7	Very high	95.4	Very high	72 Å²	72	34 Å²	34	50%	0.503	20%	0.204	S	C	.	.	S	Bend	trans	-68.4	136.3	173.2	-51.7	0	0	0	0	110.9
668	P	96.9	Very high	95.3	Very high	3 Å²	3	33 Å²	33	2%	0.019	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-62.4	148.7	176.9	22.8	-30.5	0	0	0	112	A413 T460 G461 T544 D672 R673	A413-P668 HydrophobicContact CB-CB 3.91Å; T460-P668 WeakPolarHBondContact O-CG 3.18Å; G461-P668 WeakPolarHBondContact O-CD 3.42Å; T544-P668 WeakPolarHBondContact OG1-CA 3.39Å; P668-D672 HydrophobicContact CB-CB 4.2Å; P668-R673 HydrophobicContact CB-CG 3.86Å; P668-R673 HydrophobicContact CG-CG 3.62Å; P668-R673 PolarHBondContact O-NE 3.1Å; P668-R673 PolarHBondContact O-NH2 2.83Å
669	T	97.6	Very high	95.3	Very high	11 Å²	11	29.4 Å²	29.4	7%	0.067	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-67	160.8	174	59.7	0	0	0	0	111.6	H183 D543 T544 N547 F671 D672 R673	H183-T669 VanDerWaalsContact CE1-CG2 3.45Å; H183-T669 WeakPolarHBondContact CE1-CG2 3.46Å; D543-T669 WeakPolarHBondContact OD2-CB 3.41Å; D543-T669 WeakPolarHBondContact OD2-CG2 3.33Å; D543-T669 PolarHBondContact OD2-OG1 3.17Å; T544-T669 HydrophobicContact CG2-CG2 4.35Å; T544-T669 PolarHBondContact OG1-N 2.68Å; T544-T669 PolarHBondContact OG1-OG1 2.75Å; N547-T669 HydrophobicContact CB-CG2 4.25Å; T669-F671 PolarHBondContact O-N 2.96Å; T669-D672 PolarHBondContact O-N 2.97Å; T669-D672 PolarHBondContact OG1-N 2.87Å; T669-R673 WeakPolarHBondContact O-CG 3.3Å; T669-R673 PolarHBondContact O-N 3.37Å
670	P	96.7	Very high	95.4	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.019	17%	0.173	C	C	.	.	H	α-helix	trans	-54.9	-40	175.4	-17.8	27.3	0	0	0	112.3	L182 H183 M186 S222 R673 N674	L182-P670 VanDerWaalsContact C-CG 3.46Å; L182-P670 HydrophobicContact CB-CB 3.77Å; L182-P670 HydrophobicContact CB-CG 3.85Å; L182-P670 WeakPolarHBondContact O-CG 3.31Å; H183-P670 HydrophobicContact CB-CG 4.48Å; H183-P670 VanDerWaalsContact CD2-CD 3.41Å; H183-P670 WeakPolarHBondContact CD2-CD 3.06Å; H183-P670 WeakPolarHBondContact NE2-CD 3.09Å; M186-P670 HydrophobicContact CB-CG 4.11Å; M186-P670 HydrophobicContact CG-CB 3.95Å; M186-P670 HydrophobicContact CG-CG 3.69Å; S222-P670 PolarHBondContact OG-O 3.48Å; P670-R673 PolarHBondContact O-N 3.22Å; P670-N674 WeakPolarHBondContact O-CB 3.19Å; P670-N674 PolarHBondContact O-N 3.05Å
671	F	95.6	Very high	95.3	Very high	60 Å²	60	28.1 Å²	28.1	26%	0.263	16%	0.163	S	C	.	.	H	α-helix	trans	-58.9	-54.4	175.2	179.6	-93.6	0	0	0	111.4	D543 T669 R673 N674 F675	D543-F671 HydrophobicContact CB-CB 4.42Å; D543-F671 HydrophobicContact CB-CD1 3.66Å; D543-F671 HydrophobicContact CB-CE1 4.39Å; D543-F671 HydrophobicContact CB-CG 4.36Å; T669-F671 PolarHBondContact O-N 2.96Å; F671-R673 VanDerWaalsContact C-N 3.31Å; F671-R673 PolarHBondContact O-N 2.99Å; F671-N674 PolarHBondContact O-N 3.09Å; F671-F675 HydrophobicContact CD1-CB 4.43Å; F671-F675 HydrophobicContact CE1-CB 4.15Å; F671-F675 HydrophobicContact CE1-CD1 4.33Å; F671-F675 HydrophobicContact CE1-CG 4.22Å; F671-F675 HydrophobicContact CZ-CB 4.31Å; F671-F675 HydrophobicContact CZ-CD2 4.41Å; F671-F675 HydrophobicContact CZ-CG 4.23Å; F671-F675 WeakPolarHBondContact O-CB 3.49Å; F671-F675 PolarHBondContact O-N 2.92Å
672	D	97.4	Very high	95.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.7	-35.6	-178.4	-82.5	-38.1	0	0	0	112.3	G541 T544 P668 T669 A676	G541-D672 WeakPolarHBondContact CA-OD2 3.22Å; G541-D672 PolarHBondContact N-OD1 3.1Å; G541-D672 PolarHBondContact N-OD2 3.31Å; T544-D672 VanDerWaalsContact CB-OD2 3.26Å; T544-D672 WeakPolarHBondContact CB-OD2 3.39Å; T544-D672 PolarHBondContact N-OD2 3.36Å; T544-D672 PolarHBondContact OG1-OD2 3.06Å; P668-D672 HydrophobicContact CB-CB 4.2Å; T669-D672 PolarHBondContact O-N 2.97Å; T669-D672 PolarHBondContact OG1-N 2.87Å; D672-A676 WeakPolarHBondContact O-CB 3.45Å; D672-A676 PolarHBondContact O-N 2.85Å
673	R	96.9	Very high	95.5	Very high	5 Å²	5	19.8 Å²	19.8	2%	0.019	12%	0.122	C	C	.	.	H	α-helix	trans	-63.9	-50.3	174.6	-68.4	-173.9	-153.5	-161	3.7	112	D190 S222 T460 G461 P668 T669 P670 F671 T677	D190-R673 IonicContact OD1-CZ 3.46Å; D190-R673 IonicContact OD1-NH1 2.89Å; D190-R673 PolarHBondContact OD1-NH1 3.5Å; D190-R673 IonicContact OD1-NH2 3.27Å; D190-R673 IonicContact OD2-CZ 2.85Å; D190-R673 IonicContact OD2-NH1 3.4Å; D190-R673 PolarHBondContact OD2-NH1 2.89Å; D190-R673 IonicContact OD2-NH2 3.47Å; D190-R673 PolarHBondContact OD2-NH2 2.71Å; S222-R673 WeakPolarHBondContact O-CD 3.36Å; T460-R673 HydrophobicContact CG2-CB 4.22Å; T460-R673 HydrophobicContact CG2-CG 4.39Å; T460-R673 WeakPolarHBondContact O-CG 3.41Å; G461-R673 VanDerWaalsContact CA-CZ 3.47Å; P668-R673 HydrophobicContact CB-CG 3.86Å; P668-R673 HydrophobicContact CG-CG 3.62Å; P668-R673 PolarHBondContact O-NE 3.1Å; P668-R673 PolarHBondContact O-NH2 2.83Å; T669-R673 WeakPolarHBondContact O-CG 3.3Å; T669-R673 PolarHBondContact O-N 3.37Å; P670-R673 PolarHBondContact O-N 3.22Å; F671-R673 VanDerWaalsContact C-N 3.31Å; F671-R673 PolarHBondContact O-N 2.99Å; R673-T677 VanDerWaalsContact O-CB 3.31Å; R673-T677 WeakPolarHBondContact O-CB 3.35Å; R673-T677 PolarHBondContact O-N 2.83Å; R673-T677 PolarHBondContact O-OG1 2.98Å
674	N	95.3	Very high	95.4	Very high	14 Å²	14	19.6 Å²	19.6	8%	0.075	12%	0.121	C	C	.	.	H	α-helix	trans	-66.9	-48.9	-179.2	-175.6	15	0	0	0	111	V218 P670 F671 A676 T677 K678	V218-N674 HydrophobicContact CG1-CB 4.24Å; P670-N674 WeakPolarHBondContact O-CB 3.19Å; P670-N674 PolarHBondContact O-N 3.05Å; F671-N674 PolarHBondContact O-N 3.09Å; N674-A676 PolarHBondContact O-N 3.11Å; N674-T677 WeakPolarHBondContact O-CB 3.36Å; N674-T677 PolarHBondContact O-N 3Å; N674-K678 WeakPolarHBondContact O-CG 3.26Å; N674-K678 PolarHBondContact O-N 2.92Å; N674-K678 WeakPolarHBondContact OD1-CD 3.47Å
675	F	94.8	Very high	95.4	Very high	11 Å²	11	21.1 Å²	21.1	5%	0.048	13%	0.13	C	C	.	.	H	α-helix	trans	-58.8	-50.3	179.4	-174.6	-118.4	0	0	0	111.2	V540 F671 T677 K678 M679 M713 L718	V540-F675 HydrophobicContact CG2-CD1 3.69Å; V540-F675 HydrophobicContact CG2-CE1 3.97Å; F671-F675 HydrophobicContact CD1-CB 4.43Å; F671-F675 HydrophobicContact CE1-CB 4.15Å; F671-F675 HydrophobicContact CE1-CD1 4.33Å; F671-F675 HydrophobicContact CE1-CG 4.22Å; F671-F675 HydrophobicContact CZ-CB 4.31Å; F671-F675 HydrophobicContact CZ-CD2 4.41Å; F671-F675 HydrophobicContact CZ-CG 4.23Å; F671-F675 WeakPolarHBondContact O-CB 3.49Å; F671-F675 PolarHBondContact O-N 2.92Å; F675-T677 VanDerWaalsContact C-N 3.3Å; F675-T677 PolarHBondContact O-N 3.45Å; F675-K678 PolarHBondContact O-N 3.04Å; F675-M679 HydrophobicContact CD1-CG 4.31Å; F675-M679 HydrophobicContact CD2-CG 4.28Å; F675-M679 HydrophobicContact CE1-CE 4.09Å; F675-M679 HydrophobicContact CE1-CG 4.1Å; F675-M679 HydrophobicContact CE1-SD 4.5Å; F675-M679 HydrophobicContact CE2-CE 4.45Å; F675-M679 HydrophobicContact CE2-CG 4.09Å; F675-M679 HydrophobicContact CE2-SD 4.03Å; F675-M679 HydrophobicContact CG-CG 4.39Å; F675-M679 HydrophobicContact CZ-CE 3.7Å; F675-M679 HydrophobicContact CZ-CG 3.98Å; F675-M679 HydrophobicContact CZ-SD 3.88Å; F675-M679 WeakPolarHBondContact O-CB 3.42Å; F675-M679 WeakPolarHBondContact O-CG 3.41Å; F675-M679 PolarHBondContact O-N 3.38Å; F675-M713 HydrophobicContact CE2-CB 4.12Å; F675-M713 HydrophobicContact CE2-CE 4.36Å; F675-M713 HydrophobicContact CE2-SD 3.82Å; F675-M713 HydrophobicContact CZ-CB 4.04Å; F675-L718 HydrophobicContact CE2-CD2 3.85Å; F675-L718 HydrophobicContact CZ-CD2 4.42Å
676	A	97.1	Very high	95.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-59.4	-40.2	176	0	0	0	0	0	112.7	G414 A417 A418 V540 D672 N674 M679 G680	G414-A676 VanDerWaalsContact O-CB 3.23Å; G414-A676 WeakPolarHBondContact O-CB 3.46Å; A417-A676 HydrophobicContact CB-CB 3.88Å; A418-A676 WeakPolarHBondContact CA-O 3.38Å; A418-A676 HydrophobicContact CB-CB 4.01Å; V540-A676 HydrophobicContact CG1-CB 3.81Å; V540-A676 HydrophobicContact CG2-CB 3.98Å; D672-A676 WeakPolarHBondContact O-CB 3.45Å; D672-A676 PolarHBondContact O-N 2.85Å; N674-A676 PolarHBondContact O-N 3.11Å; A676-M679 PolarHBondContact O-N 3.37Å; A676-G680 PolarHBondContact O-N 2.98Å
677	T	95.5	Very high	95.7	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-62.4	-45.2	176.9	-62.3	0	0	0	0	111.3	L221 V384 L388 S421 R673 N674 F675 A681	L221-T677 HydrophobicContact CD2-CG2 4.5Å; V384-T677 HydrophobicContact CG1-CG2 4.27Å; L388-T677 HydrophobicContact CD1-CG2 3.59Å; S421-T677 VanDerWaalsContact CB-O 3.29Å; S421-T677 WeakPolarHBondContact CB-O 3.26Å; S421-T677 PolarHBondContact OG-O 2.84Å; R673-T677 VanDerWaalsContact O-CB 3.31Å; R673-T677 WeakPolarHBondContact O-CB 3.35Å; R673-T677 PolarHBondContact O-N 2.83Å; R673-T677 PolarHBondContact O-OG1 2.98Å; N674-T677 WeakPolarHBondContact O-CB 3.36Å; N674-T677 PolarHBondContact O-N 3Å; F675-T677 VanDerWaalsContact C-N 3.3Å; F675-T677 PolarHBondContact O-N 3.45Å; T677-A681 WeakPolarHBondContact O-CB 3.33Å; T677-A681 PolarHBondContact O-N 3.2Å; T677-A681 VanDerWaalsContact O-N 3.08Å
678	K	94	Very high	95.7	Very high	33 Å²	33	16 Å²	16	14%	0.143	8%	0.075	C	C	.	.	H	α-helix	trans	-65.3	-42.6	177.1	-68.7	171.6	69.9	164.1	0	112	N381 V384 N674 F675 A681 K682	N381-K678 WeakPolarHBondContact OD1-CD 3.36Å; N381-K678 WeakPolarHBondContact OD1-CE 3.47Å; N381-K678 PolarHBondContact OD1-NZ 3.35Å; V384-K678 HydrophobicContact CG2-CG 4.5Å; N674-K678 WeakPolarHBondContact O-CG 3.26Å; N674-K678 PolarHBondContact O-N 2.92Å; N674-K678 WeakPolarHBondContact OD1-CD 3.47Å; F675-K678 PolarHBondContact O-N 3.04Å; K678-A681 PolarHBondContact O-N 3.31Å; K678-K682 WeakPolarHBondContact O-CB 3.37Å; K678-K682 PolarHBondContact O-N 2.94Å
679	M	95.6	Very high	95.5	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-61.8	-47.5	177.7	-67.3	-70.6	-97.9	0	0	111	I525 F675 A676 A681 K682 A683 L711 L718	I525-M679 HydrophobicContact CD1-CB 4.34Å; I525-M679 HydrophobicContact CG2-CB 3.81Å; I525-M679 HydrophobicContact CG2-CE 4.29Å; I525-M679 HydrophobicContact CG2-CG 4.42Å; F675-M679 HydrophobicContact CD1-CG 4.31Å; F675-M679 HydrophobicContact CD2-CG 4.28Å; F675-M679 HydrophobicContact CE1-CE 4.09Å; F675-M679 HydrophobicContact CE1-CG 4.1Å; F675-M679 HydrophobicContact CE1-SD 4.5Å; F675-M679 HydrophobicContact CE2-CE 4.45Å; F675-M679 HydrophobicContact CE2-CG 4.09Å; F675-M679 HydrophobicContact CE2-SD 4.03Å; F675-M679 HydrophobicContact CG-CG 4.39Å; F675-M679 HydrophobicContact CZ-CE 3.7Å; F675-M679 HydrophobicContact CZ-CG 3.98Å; F675-M679 HydrophobicContact CZ-SD 3.88Å; F675-M679 WeakPolarHBondContact O-CB 3.42Å; F675-M679 WeakPolarHBondContact O-CG 3.41Å; F675-M679 PolarHBondContact O-N 3.38Å; A676-M679 PolarHBondContact O-N 3.37Å; M679-A681 VanDerWaalsContact C-N 3.35Å; M679-A681 PolarHBondContact O-N 3.08Å; M679-K682 PolarHBondContact O-N 3.34Å; M679-A683 WeakPolarHBondContact O-CB 3.42Å; M679-A683 PolarHBondContact O-N 3.42Å; M679-L711 HydrophobicContact CB-CD2 4.39Å; M679-L711 HydrophobicContact CE-CG 4.06Å; M679-L711 WeakPolarHBondContact CE-O 3.28Å; M679-L711 WeakPolarHBondContact O-CD2 3.32Å; M679-L711 HydrophobicContact SD-CD2 3.92Å; M679-L711 HydrophobicContact SD-CG 3.8Å; M679-L718 HydrophobicContact SD-CD1 4.05Å; M679-L718 HydrophobicContact SD-CD2 3.5Å; M679-L718 WeakPolarHBondContact SD-CD2 3.36Å; M679-L718 HydrophobicContact SD-CG 4.35Å
680	G	96.4	Very high	95.3	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-61.8	-40.1	177.9	0	0	0	0	0	113.2	T422 A676 M684	T422-G680 VanDerWaalsContact OG1-CA 3.3Å; T422-G680 WeakPolarHBondContact OG1-CA 3.45Å; T422-G680 PolarHBondContact OG1-O 3.41Å; A676-G680 PolarHBondContact O-N 2.98Å; G680-M684 WeakPolarHBondContact O-CB 3.43Å; G680-M684 PolarHBondContact O-N 3.04Å; G680-M684 VanDerWaalsContact O-N 3.14Å
681	A	94.4	Very high	95.2	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.008	9%	0.089	C	C	.	.	H	α-helix	trans	-68	-47.3	177.6	0	0	0	0	0	112.1	V384 S421 I425 T677 K678 M679 M684 N685	V384-A681 HydrophobicContact CG1-CB 4.21Å; V384-A681 HydrophobicContact CG2-CB 4.44Å; S421-A681 PolarHBondContact OG-N 3.33Å; I425-A681 HydrophobicContact CD1-CB 4.45Å; I425-A681 HydrophobicContact CG1-CB 3.91Å; T677-A681 WeakPolarHBondContact O-CB 3.33Å; T677-A681 PolarHBondContact O-N 3.2Å; T677-A681 VanDerWaalsContact O-N 3.08Å; K678-A681 PolarHBondContact O-N 3.31Å; M679-A681 VanDerWaalsContact C-N 3.35Å; M679-A681 PolarHBondContact O-N 3.08Å; A681-M684 PolarHBondContact O-N 2.86Å; A681-N685 PolarHBondContact O-N 3.13Å
682	K	94.9	Very high	94.9	Very high	78 Å²	78	21.5 Å²	21.5	34%	0.339	11%	0.106	S	C	.	.	H	α-helix	trans	-65.4	-41.3	179.5	-174	164.6	-175.6	168	0	111.8	K678 M679 M684 N685 W686 L711 L718 F720	K678-K682 WeakPolarHBondContact O-CB 3.37Å; K678-K682 PolarHBondContact O-N 2.94Å; M679-K682 PolarHBondContact O-N 3.34Å; K682-M684 VanDerWaalsContact C-N 3.35Å; K682-M684 PolarHBondContact O-N 3.04Å; K682-N685 PolarHBondContact O-N 2.7Å; K682-W686 WeakPolarHBondContact O-CB 3.45Å; K682-W686 PolarHBondContact O-N 3.46Å; K682-L711 HydrophobicContact CB-CD2 4.11Å; K682-L711 HydrophobicContact CD-CD1 4.21Å; K682-L711 HydrophobicContact CG-CD1 4.39Å; K682-L711 HydrophobicContact CG-CD2 4.31Å; K682-L718 HydrophobicContact CD-CB 3.73Å; K682-L718 HydrophobicContact CD-CD1 3.91Å; K682-L718 HydrophobicContact CD-CG 4.49Å; K682-L718 PolarHBondContact NZ-O 3.28Å; K682-F720 HydrophobicContact CD-CE2 4.38Å; K682-F720 HydrophobicContact CG-CE2 4Å; K682-F720 HydrophobicContact CG-CZ 3.85Å
683	A	97.1	Very high	94.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58.8	-44.7	175.1	0	0	0	0	0	112	V523 I525 M679 W686 M687 L711	V523-A683 HydrophobicContact CG1-CB 3.83Å; V523-A683 HydrophobicContact CG2-CB 4.47Å; I525-A683 HydrophobicContact CD1-CB 3.71Å; I525-A683 HydrophobicContact CG1-CB 4.11Å; M679-A683 WeakPolarHBondContact O-CB 3.42Å; M679-A683 PolarHBondContact O-N 3.42Å; A683-W686 PolarHBondContact O-N 2.67Å; A683-M687 VanDerWaalsContact O-CB 3.29Å; A683-M687 WeakPolarHBondContact O-CB 3.3Å; A683-M687 PolarHBondContact O-N 3.47Å; A683-L711 HydrophobicContact CB-CD2 3.95Å
684	M	95.7	Very high	94.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-69.4	-40.1	179.9	-169.3	64.7	-132	0	0	112.6	V403 T422 I425 N431 G680 A681 K682 W686 M687 S688	V403-M684 HydrophobicContact CB-CE 4.19Å; V403-M684 HydrophobicContact CG1-CE 4.23Å; V403-M684 HydrophobicContact CG1-SD 4.08Å; V403-M684 HydrophobicContact CG2-CE 3.78Å; T422-M684 HydrophobicContact CG2-CB 4.45Å; T422-M684 HydrophobicContact CG2-SD 4.09Å; I425-M684 HydrophobicContact CB-CB 4.13Å; I425-M684 HydrophobicContact CB-CG 4.08Å; I425-M684 HydrophobicContact CG2-CB 3.81Å; I425-M684 HydrophobicContact CG2-CG 3.76Å; N431-M684 HydrophobicContact CB-CE 4.45Å; N431-M684 VanDerWaalsContact ND2-CE 3.27Å; N431-M684 WeakPolarHBondContact ND2-CE 3.14Å; G680-M684 WeakPolarHBondContact O-CB 3.43Å; G680-M684 PolarHBondContact O-N 3.04Å; G680-M684 VanDerWaalsContact O-N 3.14Å; A681-M684 PolarHBondContact O-N 2.86Å; K682-M684 VanDerWaalsContact C-N 3.35Å; K682-M684 PolarHBondContact O-N 3.04Å; M684-W686 PolarHBondContact O-N 3Å; M684-M687 HydrophobicContact CE-CB 4.39Å; M684-M687 HydrophobicContact CE-CG 4.42Å; M684-M687 WeakPolarHBondContact O-CB 3.4Å; M684-M687 PolarHBondContact O-N 2.92Å; M684-S688 WeakPolarHBondContact CE-OG 3.31Å; M684-S688 PolarHBondContact O-N 2.98Å
685	N	93.5	Very high	93.9	Very high	70 Å²	70	32.6 Å²	32.6	37%	0.374	15%	0.154	S	C	.	.	H	α-helix	trans	-58.6	-46.8	173.3	-73.8	-13.7	0	0	0	112	Q429 A681 K682 G689	Q429-N685 PolarHBondContact NE2-OD1 3.45Å; A681-N685 PolarHBondContact O-N 3.13Å; K682-N685 PolarHBondContact O-N 2.7Å; N685-G689 PolarHBondContact O-N 3.24Å
686	W	95.5	Very high	93.3	Very high	37 Å²	37	40.4 Å²	40.4	14%	0.14	18%	0.183	C	C	.	.	H	α-helix	trans	-64.1	-42.2	175.6	175.4	92.2	0	0	0	112	F522 V523 K682 A683 M684 S688 G689 K690 D706 C709 F720	F522-W686 WeakPolarHBondContact O-CH2 3.33Å; V523-W686 HydrophobicContact CB-CE3 4.01Å; V523-W686 HydrophobicContact CB-CH2 4.48Å; V523-W686 HydrophobicContact CB-CZ3 3.73Å; V523-W686 HydrophobicContact CG1-CE3 4.37Å; V523-W686 HydrophobicContact CG1-CZ3 4.35Å; K682-W686 WeakPolarHBondContact O-CB 3.45Å; K682-W686 PolarHBondContact O-N 3.46Å; A683-W686 PolarHBondContact O-N 2.67Å; M684-W686 PolarHBondContact O-N 3Å; W686-S688 PolarHBondContact O-N 3.29Å; W686-G689 PolarHBondContact O-N 3.31Å; W686-G689 VanDerWaalsContact O-N 3.17Å; W686-K690 HydrophobicContact CD2-CG 3.85Å; W686-K690 VanDerWaalsContact CE2-CG 3.48Å; W686-K690 HydrophobicContact CE3-CG 4.24Å; W686-K690 HydrophobicContact CG-CG 4.44Å; W686-K690 HydrophobicContact CH2-CG 4Å; W686-K690 HydrophobicContact CZ2-CD 4.3Å; W686-K690 HydrophobicContact CZ2-CG 3.6Å; W686-K690 HydrophobicContact CZ3-CG 4.28Å; W686-K690 PolarHBondContact O-N 3.06Å; W686-D706 VanDerWaalsContact CZ2-O 3.3Å; W686-D706 WeakPolarHBondContact CZ2-O 3.47Å; W686-C709 HydrophobicContact CH2-CB 4.23Å; W686-C709 HydrophobicContact CZ2-CB 4.04Å; W686-F720 HydrophobicContact CB-CD1 4.39Å; W686-F720 HydrophobicContact CB-CE1 3.54Å; W686-F720 HydrophobicContact CB-CE2 3.74Å; W686-F720 HydrophobicContact CB-CZ 3.16Å; W686-F720 AromaticContact CD1-CD1 3.84Å; W686-F720 AromaticContact CD1-CD2 3.64Å; W686-F720 AromaticContact CD1-CE1 3.84Å; W686-F720 AromaticContact CD1-CE2 3.64Å; W686-F720 AromaticContact CD1-CG 3.75Å; W686-F720 AromaticContact CD1-CZ 3.76Å; W686-F720 AromaticContact CD2-CD1 3.82Å; W686-F720 HydrophobicContact CD2-CD1 3.82Å; W686-F720 AromaticContact CD2-CE1 3.68Å; W686-F720 HydrophobicContact CD2-CE1 3.68Å; W686-F720 HydrophobicContact CD2-CG 4.45Å; W686-F720 HydrophobicContact CD2-CZ 4.21Å; W686-F720 AromaticContact CE2-CD1 3.87Å; W686-F720 HydrophobicContact CE3-CD1 4.46Å; W686-F720 HydrophobicContact CE3-CE1 4.18Å; W686-F720 AromaticContact CG-CD1 3.78Å; W686-F720 HydrophobicContact CG-CD1 3.78Å; W686-F720 HydrophobicContact CG-CD2 4.15Å; W686-F720 AromaticContact CG-CE1 3.39Å; W686-F720 HydrophobicContact CG-CE1 3.39Å; W686-F720 AromaticContact CG-CE2 3.81Å; W686-F720 HydrophobicContact CG-CE2 3.81Å; W686-F720 HydrophobicContact CG-CG 4.15Å; W686-F720 AromaticContact CG-CZ 3.42Å; W686-F720 HydrophobicContact CG-CZ 3.42Å; W686-F720 VanDerWaalsContact CG-CZ 3.42Å; W686-F720 AromaticContact NE1-CD1 3.88Å; W686-F720 AromaticContact NE1-CG 3.78Å
687	M	95.8	Very high	92.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-57	-50.3	178.1	-174.8	60.3	66.1	0	0	111.2	V403 L493 V494 P521 V523 A683 M684 G689 K690 I691	V403-M687 HydrophobicContact CG1-CG 3.99Å; V403-M687 HydrophobicContact CG2-CG 4.1Å; L493-M687 VanDerWaalsContact O-CE 3.22Å; L493-M687 WeakPolarHBondContact O-CE 3.27Å; V494-M687 HydrophobicContact CG2-CE 4.02Å; P521-M687 HydrophobicContact CB-SD 3.96Å; P521-M687 HydrophobicContact CG-SD 3.88Å; V523-M687 HydrophobicContact CB-CE 4.38Å; V523-M687 HydrophobicContact CG1-CE 3.74Å; A683-M687 VanDerWaalsContact O-CB 3.29Å; A683-M687 WeakPolarHBondContact O-CB 3.3Å; A683-M687 PolarHBondContact O-N 3.47Å; M684-M687 HydrophobicContact CE-CB 4.39Å; M684-M687 HydrophobicContact CE-CG 4.42Å; M684-M687 WeakPolarHBondContact O-CB 3.4Å; M684-M687 PolarHBondContact O-N 2.92Å; M687-G689 VanDerWaalsContact C-N 3.31Å; M687-G689 PolarHBondContact O-N 3.29Å; M687-K690 PolarHBondContact O-N 3.06Å; M687-I691 HydrophobicContact CG-CD1 3.8Å; M687-I691 HydrophobicContact CG-CG1 4.38Å; M687-I691 WeakPolarHBondContact O-CB 3.46Å; M687-I691 VanDerWaalsContact O-CG1 3.22Å; M687-I691 WeakPolarHBondContact O-CG1 3.37Å; M687-I691 PolarHBondContact O-N 2.73Å; M687-I691 HydrophobicContact SD-CD1 4.1Å; M687-I691 HydrophobicContact SD-CG1 4.23Å
688	S	92.4	Very high	91.4	Very high	9 Å²	9	51.2 Å²	51.2	6%	0.063	25%	0.254	C	S	.	.	H	α-helix	trans	-64.4	-33.8	178.1	-73.7	0	0	0	0	113.4	Q429 N431 M684 W686 K692	Q429-S688 PolarHBondContact OE1-OG 3.43Å; N431-S688 PolarHBondContact ND2-OG 3.32Å; M684-S688 WeakPolarHBondContact CE-OG 3.31Å; M684-S688 PolarHBondContact O-N 2.98Å; W686-S688 PolarHBondContact O-N 3.29Å; S688-K692 VanDerWaalsContact O-CG 3.31Å; S688-K692 WeakPolarHBondContact O-CG 3.45Å; S688-K692 PolarHBondContact O-N 3.06Å
689	G	92.9	Very high	90.9	Very high	28 Å²	28	56.2 Å²	56.2	29%	0.289	27%	0.272	S	S	.	.	H	α-helix	trans	-63.3	-51.2	171	0	0	0	0	0	111.9	N685 W686 M687 I691 K692 E693	N685-G689 PolarHBondContact O-N 3.24Å; W686-G689 PolarHBondContact O-N 3.31Å; W686-G689 VanDerWaalsContact O-N 3.17Å; M687-G689 VanDerWaalsContact C-N 3.31Å; M687-G689 PolarHBondContact O-N 3.29Å; G689-I691 PolarHBondContact O-N 2.89Å; G689-K692 WeakPolarHBondContact O-CB 2.86Å; G689-K692 PolarHBondContact O-N 3.17Å; G689-K692 VanDerWaalsContact O-N 3.15Å; G689-E693 WeakPolarHBondContact O-CG 3.33Å; G689-E693 PolarHBondContact O-N 2.87Å
690	K	94.5	Very high	90.5	Very high	25 Å²	25	57.1 Å²	57.1	11%	0.109	28%	0.277	C	S	.	.	H	α-helix	trans	-64.8	-36.4	-179.1	-76.1	-60.5	179.7	-167.8	0	114.1	P521 W686 M687 K692 E693 S694 D706	P521-K690 HydrophobicContact CB-CB 4.01Å; W686-K690 HydrophobicContact CD2-CG 3.85Å; W686-K690 VanDerWaalsContact CE2-CG 3.48Å; W686-K690 HydrophobicContact CE3-CG 4.24Å; W686-K690 HydrophobicContact CG-CG 4.44Å; W686-K690 HydrophobicContact CH2-CG 4Å; W686-K690 HydrophobicContact CZ2-CD 4.3Å; W686-K690 HydrophobicContact CZ2-CG 3.6Å; W686-K690 HydrophobicContact CZ3-CG 4.28Å; W686-K690 PolarHBondContact O-N 3.06Å; M687-K690 PolarHBondContact O-N 3.06Å; K690-K692 VanDerWaalsContact C-N 3.34Å; K690-E693 WeakPolarHBondContact CD-OE2 3.38Å; K690-E693 IonicContact NZ-OE2 3.97Å; K690-E693 PolarHBondContact NZ-OE2 3.3Å; K690-E693 PolarHBondContact O-N 3.48Å; K690-S694 WeakPolarHBondContact O-CB 3.12Å; K690-S694 PolarHBondContact O-N 3.12Å; K690-S694 PolarHBondContact O-OG 3.09Å; K690-D706 IonicContact NZ-OD2 2.96Å; K690-D706 PolarHBondContact NZ-OD2 3.26Å
691	I	93.1	Very high	90.3	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-60.7	-45.8	173.2	-71.4	172.7	0	0	0	110	H401 V403 P521 M687 G689 S694 Y695 I700	H401-I691 HydrophobicContact CB-CD1 4.36Å; H401-I691 HydrophobicContact CB-CG2 3.93Å; H401-I691 WeakPolarHBondContact ND1-CG2 3.35Å; V403-I691 HydrophobicContact CG2-CD1 3.56Å; P521-I691 HydrophobicContact CG-CG1 3.6Å; M687-I691 HydrophobicContact CG-CD1 3.8Å; M687-I691 HydrophobicContact CG-CG1 4.38Å; M687-I691 WeakPolarHBondContact O-CB 3.46Å; M687-I691 VanDerWaalsContact O-CG1 3.22Å; M687-I691 WeakPolarHBondContact O-CG1 3.37Å; M687-I691 PolarHBondContact O-N 2.73Å; M687-I691 HydrophobicContact SD-CD1 4.1Å; M687-I691 HydrophobicContact SD-CG1 4.23Å; G689-I691 PolarHBondContact O-N 2.89Å; I691-S694 PolarHBondContact O-N 3.2Å; I691-Y695 PolarHBondContact O-N 3.41Å; I691-Y695 VanDerWaalsContact O-N 3.07Å; I691-I700 HydrophobicContact CB-CD1 4.39Å; I691-I700 HydrophobicContact CG2-CD1 3.51Å; I691-I700 HydrophobicContact CG2-CG1 4.29Å; I691-I700 WeakPolarHBondContact O-CD1 3.45Å
692	K	90.4	Very high	90.2	Very high	140 Å²	140	60.4 Å²	60.4	61%	0.609	29%	0.292	S	S	*	.	H	α-helix	trans	-63.3	-43.4	177.3	-70.3	173.2	-177.5	-178.8	0	112.4	S688 G689 K690 S694 Y695	S688-K692 VanDerWaalsContact O-CG 3.31Å; S688-K692 WeakPolarHBondContact O-CG 3.45Å; S688-K692 PolarHBondContact O-N 3.06Å; G689-K692 WeakPolarHBondContact O-CB 2.86Å; G689-K692 PolarHBondContact O-N 3.17Å; G689-K692 VanDerWaalsContact O-N 3.15Å; K690-K692 VanDerWaalsContact C-N 3.34Å; K692-S694 VanDerWaalsContact C-N 3.27Å; K692-S694 PolarHBondContact O-N 3.28Å; K692-Y695 PolarHBondContact O-N 3.1Å
693	E	91.2	Very high	90	Very high	121 Å²	121	61 Å²	61	57%	0.565	30%	0.298	S	S	*	.	H	α-helix	trans	-62.6	-33.9	176.2	-71.7	171.4	-158.2	0	0	112.7	G689 K690	G689-E693 WeakPolarHBondContact O-CG 3.33Å; G689-E693 PolarHBondContact O-N 2.87Å; K690-E693 WeakPolarHBondContact CD-OE2 3.38Å; K690-E693 IonicContact NZ-OE2 3.97Å; K690-E693 PolarHBondContact NZ-OE2 3.3Å; K690-E693 PolarHBondContact O-N 3.48Å
694	S	90.5	Very high	89.8	Confident	11 Å²	11	64.2 Å²	64.2	8%	0.077	32%	0.318	C	S	.	.	H	α-helix	trans	-92.4	-1.4	-175.5	-52.4	0	0	0	0	113.7	K690 I691 K692 R696 F701 A702	K690-S694 WeakPolarHBondContact O-CB 3.12Å; K690-S694 PolarHBondContact O-N 3.12Å; K690-S694 PolarHBondContact O-OG 3.09Å; I691-S694 PolarHBondContact O-N 3.2Å; K692-S694 VanDerWaalsContact C-N 3.27Å; K692-S694 PolarHBondContact O-N 3.28Å; S694-R696 PolarHBondContact O-N 3.36Å; S694-F701 PolarHBondContact O-N 2.98Å; S694-A702 WeakPolarHBondContact OG-CB 3.17Å
695	Y	87.4	Confident	89.6	Confident	121 Å²	121	67.6 Å²	67.6	48%	0.475	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	112.3	179.1	-169.5	-95.9	0	0	0	110.5	I691 K692 I700	I691-Y695 PolarHBondContact O-N 3.41Å; I691-Y695 VanDerWaalsContact O-N 3.07Å; K692-Y695 PolarHBondContact O-N 3.1Å; Y695-I700 HydrophobicContact CD2-CD1 3.6Å; Y695-I700 HydrophobicContact CD2-CG1 4.26Å; Y695-I700 HydrophobicContact CG-CD1 4.18Å
696	R	80.3	Confident	89.7	Confident	175 Å²	175	67.3 Å²	67.3	66%	0.66	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.7	134.3	-179.8	-62.5	-175.2	-177.2	-175.6	0.9	110.2	S694 G698 R699	S694-R696 PolarHBondContact O-N 3.36Å; R696-G698 VanDerWaalsContact C-N 3.26Å; R696-G698 PolarHBondContact O-N 3.43Å; R696-R699 CarbonylContact C-O 3.58Å; R696-R699 PolarHBondContact N-O 3.27Å; R696-R699 PolarHBondContact O-N 2.96Å; R696-R699 VanDerWaalsContact O-N 3.08Å
697	N	76.1	Confident	89.7	Confident	170 Å²	170	65.5 Å²	65.5	91%	0.909	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	39.1	175.7	-58.3	-16	0	0	0	114.3	R699	N697-R699 VanDerWaalsContact C-N 3.26Å; N697-R699 PolarHBondContact O-N 3.12Å
698	G	76.8	Confident	89.7	Confident	56 Å²	56	65.5 Å²	65.5	58%	0.577	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	0.8	178.2	0	0	0	0	0	115.4	R696	R696-G698 VanDerWaalsContact C-N 3.26Å; R696-G698 PolarHBondContact O-N 3.43Å
699	R	84.4	Confident	90	Very high	138 Å²	138	65.2 Å²	65.2	52%	0.521	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	155.8	175.1	68	179.1	-174.5	161.6	5.3	112	D516 R696 N697	D516-R699 IonicContact OD2-NH1 3.68Å; D516-R699 PolarHBondContact OD2-NH1 3.41Å; D516-R699 IonicContact OD2-NH2 3.36Å; R696-R699 CarbonylContact C-O 3.58Å; R696-R699 PolarHBondContact N-O 3.27Å; R696-R699 PolarHBondContact O-N 2.96Å; R696-R699 VanDerWaalsContact O-N 3.08Å; N697-R699 VanDerWaalsContact C-N 3.26Å; N697-R699 PolarHBondContact O-N 3.12Å
700	I	88.2	Confident	90.2	Very high	19 Å²	19	63.9 Å²	63.9	10%	0.097	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	129.1	168.4	-62.1	-67.5	0	0	0	108	Q491 I520 I691 Y695	Q491-I700 HydrophobicContact CB-CG1 3.98Å; Q491-I700 HydrophobicContact CG-CG1 3.9Å; I520-I700 HydrophobicContact CG2-CG2 4.4Å; I691-I700 HydrophobicContact CB-CD1 4.39Å; I691-I700 HydrophobicContact CG2-CD1 3.51Å; I691-I700 HydrophobicContact CG2-CG1 4.29Å; I691-I700 WeakPolarHBondContact O-CD1 3.45Å; Y695-I700 HydrophobicContact CD2-CD1 3.6Å; Y695-I700 HydrophobicContact CD2-CG1 4.26Å; Y695-I700 HydrophobicContact CG-CD1 4.18Å
701	F	91.8	Very high	90.4	Very high	69 Å²	69	62.7 Å²	62.7	30%	0.303	31%	0.311	S	S	.	.			trans	-142.8	97.8	173.5	-171.3	-97.6	0	0	0	110.3	C519 S694 N703	C519-F701 HydrophobicContact CB-CD2 3.66Å; C519-F701 HydrophobicContact CB-CE2 3.67Å; C519-F701 HydrophobicContact CB-CG 4.38Å; C519-F701 HydrophobicContact CB-CZ 4.37Å; C519-F701 WeakPolarHBondContact O-CA 3.37Å; S694-F701 PolarHBondContact O-N 2.98Å; F701-N703 HydrophobicContact CD1-CB 4.4Å; F701-N703 HydrophobicContact CE1-CB 3.71Å; F701-N703 HydrophobicContact CZ-CB 3.95Å
702	A	91.4	Very high	90.4	Very high	2 Å²	2	62.7 Å²	62.7	2%	0.017	31%	0.311	C	S	.	.			trans	-113.7	91.4	-178.1	0	0	0	0	0	109.8	R512 C519 P521 S694 S707	R512-A702 PolarHBondContact NH1-O 3.47Å; R512-A702 VanDerWaalsContact NH1-O 3.11Å; R512-A702 PolarHBondContact NH2-O 3.5Å; C519-A702 PolarHBondContact O-N 3.13Å; P521-A702 HydrophobicContact CB-CB 4.48Å; S694-A702 WeakPolarHBondContact OG-CB 3.17Å; A702-S707 PolarHBondContact O-OG 3.24Å
703	N	91.1	Very high	90.5	Very high	89 Å²	89	57.5 Å²	57.5	48%	0.476	29%	0.289	S	S	.	.			trans	-110.9	16.4	-178.6	-163.9	19.9	0	0	0	113.4	F701	F701-N703 HydrophobicContact CD1-CB 4.4Å; F701-N703 HydrophobicContact CE1-CB 3.71Å; F701-N703 HydrophobicContact CZ-CB 3.95Å
704	T	92.8	Very high	90.3	Very high	69 Å²	69	55.4 Å²	55.4	42%	0.423	28%	0.276	S	S	.	.	S	Bend	trans	-90.9	153.4	177.4	56	0	0	0	0	111	R512 D706 S707	R512-T704 PolarHBondContact NH1-O 3.45Å; T704-D706 VanDerWaalsContact C-N 3.26Å; T704-D706 WeakPolarHBondContact CB-OD1 3.42Å; T704-D706 PolarHBondContact O-N 3.19Å; T704-D706 PolarHBondContact OG1-OD1 3.38Å; T704-S707 PolarHBondContact O-N 3.47Å; T704-S707 VanDerWaalsContact O-N 3.14Å; T704-S707 PolarHBondContact O-OG 2.9Å
705	P	92	Very high	89.9	Confident	71 Å²	71	61 Å²	61	46%	0.461	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-56.1	-38.3	177.3	-27.2	35.8	0	0	0	113.8	S707 G708 P722	P705-S707 PolarHBondContact O-N 2.98Å; P705-G708 PolarHBondContact O-N 3.34Å; P705-P722 HydrophobicContact CB-CB 4.34Å
706	D	94.2	Very high	89.5	Confident	63 Å²	63	61.3 Å²	61.3	34%	0.337	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-74.5	1.5	-179.5	74.7	-45.6	0	0	0	114.4	W686 K690 T704 C709	W686-D706 VanDerWaalsContact CZ2-O 3.3Å; W686-D706 WeakPolarHBondContact CZ2-O 3.47Å; K690-D706 IonicContact NZ-OD2 2.96Å; K690-D706 PolarHBondContact NZ-OD2 3.26Å; T704-D706 VanDerWaalsContact C-N 3.26Å; T704-D706 WeakPolarHBondContact CB-OD1 3.42Å; T704-D706 PolarHBondContact O-N 3.19Å; T704-D706 PolarHBondContact OG1-OD1 3.38Å; D706-C709 PolarHBondContact O-SG 3.44Å; D706-C709 VanDerWaalsContact O-SG 3.4Å
707	S	95.6	Very high	89.8	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-91.1	-8.4	171.1	66.1	0	0	0	0	113.4	R512 P521 F522 A702 T704 P705	R512-S707 PolarHBondContact NH1-OG 2.92Å; R512-S707 PolarHBondContact NH2-OG 3.34Å; P521-S707 CarbonylContact C-O 3.52Å; P521-S707 VanDerWaalsContact CA-O 3.25Å; P521-S707 WeakPolarHBondContact CA-O 3.47Å; F522-S707 PolarHBondContact N-O 3.27Å; A702-S707 PolarHBondContact O-OG 3.24Å; T704-S707 PolarHBondContact O-N 3.47Å; T704-S707 VanDerWaalsContact O-N 3.14Å; T704-S707 PolarHBondContact O-OG 2.9Å; P705-S707 PolarHBondContact O-N 2.98Å
708	G	97.1	Very high	90.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	99.4	174.7	0	0	0	0	0	110.1	F522 P705 P722 V723	F522-G708 VanDerWaalsContact CZ-CA 3.42Å; F522-G708 WeakPolarHBondContact O-CA 3.4Å; P705-G708 PolarHBondContact O-N 3.34Å; G708-P722 WeakPolarHBondContact O-CA 3.49Å; G708-V723 PolarHBondContact O-N 2.95Å
709	C	97.8	Very high	91.3	Very high	3 Å²	3	48 Å²	48	2%	0.02	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	153.2	-169.3	-69.6	0	0	0	0	113.6	F522 V523 V524 W686 D706 F720 Q721	F522-C709 PolarHBondContact O-N 3.27Å; F522-C709 VanDerWaalsContact O-N 3.15Å; V523-C709 CarbonylContact C-O 3.59Å; V523-C709 VanDerWaalsContact CA-O 3.28Å; V523-C709 WeakPolarHBondContact CA-O 3.47Å; V524-C709 PolarHBondContact N-O 3.08Å; W686-C709 HydrophobicContact CH2-CB 4.23Å; W686-C709 HydrophobicContact CZ2-CB 4.04Å; D706-C709 PolarHBondContact O-SG 3.44Å; D706-C709 VanDerWaalsContact O-SG 3.4Å; C709-F720 HydrophobicContact CB-CB 4.15Å; C709-F720 HydrophobicContact CB-CD1 4.35Å; C709-Q721 CarbonylContact C-O 3.47Å; C709-Q721 WeakPolarHBondContact CA-O 3.5Å
710	V	98	Very high	91.9	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	126.5	156.2	168.6	0	0	0	0	108	Y502 V524 P526 G712 Q721 V723 L726	Y502-V710 HydrophobicContact CD2-CG2 3.77Å; Y502-V710 HydrophobicContact CE2-CG2 4.4Å; V524-V710 HydrophobicContact CB-CG2 3.96Å; V524-V710 HydrophobicContact CG1-CG2 4.31Å; V524-V710 WeakPolarHBondContact O-CA 3.48Å; P526-V710 HydrophobicContact CG-CG1 3.6Å; V710-G712 PolarHBondContact O-N 3.48Å; V710-Q721 PolarHBondContact N-O 3.45Å; V710-Q721 PolarHBondContact O-N 3.39Å; V710-V723 HydrophobicContact CG2-CG1 4.11Å; V710-L726 HydrophobicContact CB-CD1 3.81Å; V710-L726 HydrophobicContact CG1-CD1 4.5Å; V710-L726 HydrophobicContact CG2-CD1 3.85Å
711	L	97.9	Very high	92.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	101.3	164.8	175.3	58.9	0	0	0	107.7	V523 V524 P526 M679 K682 A683 L718 V719 F720	V523-L711 HydrophobicContact CG2-CB 3.81Å; V524-L711 PolarHBondContact O-N 3.15Å; P526-L711 WeakPolarHBondContact CD-O 3.49Å; M679-L711 HydrophobicContact CB-CD2 4.39Å; M679-L711 HydrophobicContact CE-CG 4.06Å; M679-L711 WeakPolarHBondContact CE-O 3.28Å; M679-L711 WeakPolarHBondContact O-CD2 3.32Å; M679-L711 HydrophobicContact SD-CD2 3.92Å; M679-L711 HydrophobicContact SD-CG 3.8Å; K682-L711 HydrophobicContact CB-CD2 4.11Å; K682-L711 HydrophobicContact CD-CD1 4.21Å; K682-L711 HydrophobicContact CG-CD1 4.39Å; K682-L711 HydrophobicContact CG-CD2 4.31Å; A683-L711 HydrophobicContact CB-CD2 3.95Å; L711-L718 HydrophobicContact CD1-CB 4.17Å; L711-V719 WeakPolarHBondContact CA-O 3.25Å; L711-F720 HydrophobicContact CB-CD1 4.1Å; L711-F720 HydrophobicContact CB-CE1 3.93Å; L711-F720 HydrophobicContact CD1-CD1 4.08Å; L711-F720 HydrophobicContact CD1-CD2 4.29Å; L711-F720 HydrophobicContact CD1-CE1 3.8Å; L711-F720 HydrophobicContact CD1-CE2 4.02Å; L711-F720 HydrophobicContact CD1-CG 4.31Å; L711-F720 HydrophobicContact CD1-CZ 3.75Å; L711-F720 HydrophobicContact CD2-CE1 4.16Å; L711-F720 HydrophobicContact CD2-CZ 4.23Å; L711-F720 HydrophobicContact CG-CE1 4.17Å; L711-F720 HydrophobicContact CG-CZ 4.43Å
712	G	93.9	Very high	92.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	157.9	-178.3	0	0	0	0	0	112.5	S536 V710 L718 V719	S536-G712 WeakPolarHBondContact OG-CA 3.34Å; V710-G712 PolarHBondContact O-N 3.48Å; G712-L718 CarbonylContact O-C 3.55Å; G712-L718 WeakPolarHBondContact O-CA 3.33Å; G712-V719 PolarHBondContact N-O 2.72Å; G712-V719 PolarHBondContact O-N 3Å
713	M	91.1	Very high	92.8	Very high	31 Å²	31	41.8 Å²	41.8	15%	0.153	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	121.3	167.9	-171.2	160.9	77.1	0	0	109.2	S536 D537 F538 F675 A717 L718	S536-M713 PolarHBondContact OG-N 3.25Å; D537-M713 WeakPolarHBondContact CB-O 3.5Å; D537-M713 PolarHBondContact N-O 3.37Å; F538-M713 HydrophobicContact CB-CE 4.03Å; F538-M713 HydrophobicContact CD2-CE 3.07Å; F538-M713 HydrophobicContact CE2-CE 3.61Å; F538-M713 HydrophobicContact CG-CE 3.75Å; F675-M713 HydrophobicContact CE2-CB 4.12Å; F675-M713 HydrophobicContact CE2-CE 4.36Å; F675-M713 HydrophobicContact CE2-SD 3.82Å; F675-M713 HydrophobicContact CZ-CB 4.04Å; M713-A717 WeakPolarHBondContact CA-O 3.44Å; M713-L718 HydrophobicContact CB-CD2 3.84Å; M713-L718 HydrophobicContact CG-CD2 4.14Å; M713-L718 HydrophobicContact SD-CD2 4.46Å
714	R	88.5	Confident	92.9	Very high	77 Å²	77	39.7 Å²	39.7	29%	0.291	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	117.3	172.8	-69.7	-68	-139.9	176.9	7	108.7	D537 R716 A717 V719	D537-R714 IonicContact OD1-NH1 3.46Å; R714-R716 PolarHBondContact O-N 2.94Å; R714-A717 PolarHBondContact N-O 3.3Å; R714-A717 PolarHBondContact O-N 3.23Å; R714-V719 HydrophobicContact CB-CG2 3.99Å; R714-V719 HydrophobicContact CG-CG2 3.58Å
715	K	82.2	Confident	93	Very high	129 Å²	129	42.1 Å²	42.1	56%	0.561	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	-94.1	-172.5	-57.7	179	178.7	-179.3	0	111.4	G340 D537	G340-K715 WeakPolarHBondContact CA-O 3.43Å; D537-K715 PolarHBondContact OD2-N 3.48Å
716	R	78.6	Confident	93.2	Very high	126 Å²	126	38.8 Å²	38.8	48%	0.475	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-12.4	-179.4	68.7	-179.8	-177.9	177.9	0.5	114.2	R714	R714-R716 PolarHBondContact O-N 2.94Å
717	A	85.6	Confident	93.2	Very high	44 Å²	44	40.6 Å²	40.6	36%	0.364	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	136.6	-169.4	0	0	0	0	0	111.3	M713 R714 V719	M713-A717 WeakPolarHBondContact CA-O 3.44Å; R714-A717 PolarHBondContact N-O 3.3Å; R714-A717 PolarHBondContact O-N 3.23Å; A717-V719 HydrophobicContact CB-CG1 4.05Å
718	L	90.9	Very high	93.1	Very high	32 Å²	32	46.6 Å²	46.6	17%	0.168	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	115.8	165.2	-65.1	-178	0	0	0	108.5	F675 M679 K682 L711 G712 M713	F675-L718 HydrophobicContact CE2-CD2 3.85Å; F675-L718 HydrophobicContact CZ-CD2 4.42Å; M679-L718 HydrophobicContact SD-CD1 4.05Å; M679-L718 HydrophobicContact SD-CD2 3.5Å; M679-L718 WeakPolarHBondContact SD-CD2 3.36Å; M679-L718 HydrophobicContact SD-CG 4.35Å; K682-L718 HydrophobicContact CD-CB 3.73Å; K682-L718 HydrophobicContact CD-CD1 3.91Å; K682-L718 HydrophobicContact CD-CG 4.49Å; K682-L718 PolarHBondContact NZ-O 3.28Å; L711-L718 HydrophobicContact CD1-CB 4.17Å; G712-L718 CarbonylContact O-C 3.55Å; G712-L718 WeakPolarHBondContact O-CA 3.33Å; M713-L718 HydrophobicContact CB-CD2 3.84Å; M713-L718 HydrophobicContact CG-CD2 4.14Å; M713-L718 HydrophobicContact SD-CD2 4.46Å
719	V	94.1	Very high	92.9	Very high	47 Å²	47	50.5 Å²	50.5	29%	0.285	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	143.6	-174.2	-65.8	0	0	0	0	110.9	L711 G712 R714 A717 Q721	L711-V719 WeakPolarHBondContact CA-O 3.25Å; G712-V719 PolarHBondContact N-O 2.72Å; G712-V719 PolarHBondContact O-N 3Å; R714-V719 HydrophobicContact CB-CG2 3.99Å; R714-V719 HydrophobicContact CG-CG2 3.58Å; A717-V719 HydrophobicContact CB-CG1 4.05Å; V719-Q721 HydrophobicContact CG2-CG 4.21Å
720	F	96.9	Very high	92.8	Very high	53 Å²	53	50.6 Å²	50.6	23%	0.232	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	119	170.4	-64.7	-87.5	0	0	0	107.9	V523 K682 W686 C709 L711	V523-F720 HydrophobicContact CG2-CD1 4.12Å; V523-F720 HydrophobicContact CG2-CE1 3.96Å; K682-F720 HydrophobicContact CD-CE2 4.38Å; K682-F720 HydrophobicContact CG-CE2 4Å; K682-F720 HydrophobicContact CG-CZ 3.85Å; W686-F720 HydrophobicContact CB-CD1 4.39Å; W686-F720 HydrophobicContact CB-CE1 3.54Å; W686-F720 HydrophobicContact CB-CE2 3.74Å; W686-F720 HydrophobicContact CB-CZ 3.16Å; W686-F720 AromaticContact CD1-CD1 3.84Å; W686-F720 AromaticContact CD1-CD2 3.64Å; W686-F720 AromaticContact CD1-CE1 3.84Å; W686-F720 AromaticContact CD1-CE2 3.64Å; W686-F720 AromaticContact CD1-CG 3.75Å; W686-F720 AromaticContact CD1-CZ 3.76Å; W686-F720 AromaticContact CD2-CD1 3.82Å; W686-F720 HydrophobicContact CD2-CD1 3.82Å; W686-F720 AromaticContact CD2-CE1 3.68Å; W686-F720 HydrophobicContact CD2-CE1 3.68Å; W686-F720 HydrophobicContact CD2-CG 4.45Å; W686-F720 HydrophobicContact CD2-CZ 4.21Å; W686-F720 AromaticContact CE2-CD1 3.87Å; W686-F720 HydrophobicContact CE3-CD1 4.46Å; W686-F720 HydrophobicContact CE3-CE1 4.18Å; W686-F720 AromaticContact CG-CD1 3.78Å; W686-F720 HydrophobicContact CG-CD1 3.78Å; W686-F720 HydrophobicContact CG-CD2 4.15Å; W686-F720 AromaticContact CG-CE1 3.39Å; W686-F720 HydrophobicContact CG-CE1 3.39Å; W686-F720 AromaticContact CG-CE2 3.81Å; W686-F720 HydrophobicContact CG-CE2 3.81Å; W686-F720 HydrophobicContact CG-CG 4.15Å; W686-F720 AromaticContact CG-CZ 3.42Å; W686-F720 HydrophobicContact CG-CZ 3.42Å; W686-F720 VanDerWaalsContact CG-CZ 3.42Å; W686-F720 AromaticContact NE1-CD1 3.88Å; W686-F720 AromaticContact NE1-CG 3.78Å; C709-F720 HydrophobicContact CB-CB 4.15Å; C709-F720 HydrophobicContact CB-CD1 4.35Å; L711-F720 HydrophobicContact CB-CD1 4.1Å; L711-F720 HydrophobicContact CB-CE1 3.93Å; L711-F720 HydrophobicContact CD1-CD1 4.08Å; L711-F720 HydrophobicContact CD1-CD2 4.29Å; L711-F720 HydrophobicContact CD1-CE1 3.8Å; L711-F720 HydrophobicContact CD1-CE2 4.02Å; L711-F720 HydrophobicContact CD1-CG 4.31Å; L711-F720 HydrophobicContact CD1-CZ 3.75Å; L711-F720 HydrophobicContact CD2-CE1 4.16Å; L711-F720 HydrophobicContact CD2-CZ 4.23Å; L711-F720 HydrophobicContact CG-CE1 4.17Å; L711-F720 HydrophobicContact CG-CZ 4.43Å
721	Q	96.5	Very high	92.8	Very high	30 Å²	30	52.6 Å²	52.6	14%	0.14	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127.4	178.2	-74.2	159.3	108.7	0	0	108.9	G535 C709 V710 V719 V723 L726	G535-Q721 PolarHBondContact O-NE2 3.26Å; C709-Q721 CarbonylContact C-O 3.47Å; C709-Q721 WeakPolarHBondContact CA-O 3.5Å; V710-Q721 PolarHBondContact N-O 3.45Å; V710-Q721 PolarHBondContact O-N 3.39Å; V719-Q721 HydrophobicContact CG2-CG 4.21Å; Q721-V723 PolarHBondContact O-N 2.94Å; Q721-L726 HydrophobicContact CB-CD1 4.16Å; Q721-L726 HydrophobicContact CB-CD2 4.22Å; Q721-L726 HydrophobicContact CB-CG 4.26Å
722	P	97.3	Very high	92.7	Very high	14 Å²	14	56.6 Å²	56.6	9%	0.091	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	131.8	175.1	-28.6	36.9	0	0	0	111.8	P705 G708 A724 E725 L726	P705-P722 HydrophobicContact CB-CB 4.34Å; G708-P722 WeakPolarHBondContact O-CA 3.49Å; P722-A724 PolarHBondContact O-N 2.97Å; P722-A724 VanDerWaalsContact O-N 3.17Å; P722-E725 HydrophobicContact CB-CB 4.37Å; P722-E725 HydrophobicContact CB-CG 4.02Å; P722-E725 WeakPolarHBondContact CD-OE2 3.48Å; P722-E725 HydrophobicContact CG-CG 4.34Å; P722-E725 PolarHBondContact O-N 3.19Å; P722-E725 VanDerWaalsContact O-N 3.13Å; P722-L726 PolarHBondContact O-N 3.02Å
723	V	96.6	Very high	92.7	Very high	0 Å²	0	64 Å²	64	0%	0	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-32.9	-178	-62.5	0	0	0	0	112.2	Y502 L506 M509 F522 G708 V710 Q721 L726	Y502-V723 HydrophobicContact CD2-CG1 4.5Å; Y502-V723 HydrophobicContact CE2-CB 4.16Å; Y502-V723 PolarHBondContact OH-O 3.47Å; L506-V723 HydrophobicContact CD2-CB 4.16Å; L506-V723 HydrophobicContact CD2-CG2 4.09Å; L506-V723 WeakPolarHBondContact CD2-O 3.37Å; L506-V723 HydrophobicContact CG-CB 4.46Å; M509-V723 HydrophobicContact CG-CG2 3.53Å; M509-V723 HydrophobicContact SD-CG2 4.48Å; F522-V723 HydrophobicContact CE2-CG1 4.02Å; F522-V723 HydrophobicContact CE2-CG2 4.37Å; F522-V723 HydrophobicContact CZ-CG1 4.45Å; F522-V723 HydrophobicContact CZ-CG2 3.98Å; G708-V723 PolarHBondContact O-N 2.95Å; V710-V723 HydrophobicContact CG2-CG1 4.11Å; Q721-V723 PolarHBondContact O-N 2.94Å; V723-L726 PolarHBondContact O-N 3.15Å
724	A	94.1	Very high	92.9	Very high	45 Å²	45	64.2 Å²	64.2	37%	0.372	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-37.9	179.5	0	0	0	0	0	112.7	P722 L726 K727	P722-A724 PolarHBondContact O-N 2.97Å; P722-A724 VanDerWaalsContact O-N 3.17Å; A724-L726 VanDerWaalsContact C-N 3.32Å; A724-K727 WeakPolarHBondContact O-CB 3.48Å; A724-K727 PolarHBondContact O-N 3.02Å
725	E	94.7	Very high	93.3	Very high	119 Å²	119	64.4 Å²	64.4	56%	0.556	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-71.3	-29.4	178.5	-69.1	175.4	-169.3	0	0	112.1	P722 K727	P722-E725 HydrophobicContact CB-CB 4.37Å; P722-E725 HydrophobicContact CB-CG 4.02Å; P722-E725 WeakPolarHBondContact CD-OE2 3.48Å; P722-E725 HydrophobicContact CG-CG 4.34Å; P722-E725 PolarHBondContact O-N 3.19Å; P722-E725 VanDerWaalsContact O-N 3.13Å; E725-K727 PolarHBondContact O-N 3.38Å
726	L	95.4	Very high	94	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.01	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-71.9	-12.7	177.2	-64.7	175.4	0	0	0	113	Y502 P534 V710 Q721 P722 V723 A724 D728 Q729 T730	Y502-L726 HydrophobicContact CE2-CB 3.88Å; Y502-L726 HydrophobicContact CE2-CD1 4.15Å; Y502-L726 VanDerWaalsContact OH-C 3.22Å; Y502-L726 WeakPolarHBondContact OH-CB 3.38Å; Y502-L726 PolarHBondContact OH-O 2.98Å; P534-L726 HydrophobicContact CB-CB 4.33Å; V710-L726 HydrophobicContact CB-CD1 3.81Å; V710-L726 HydrophobicContact CG1-CD1 4.5Å; V710-L726 HydrophobicContact CG2-CD1 3.85Å; Q721-L726 HydrophobicContact CB-CD1 4.16Å; Q721-L726 HydrophobicContact CB-CD2 4.22Å; Q721-L726 HydrophobicContact CB-CG 4.26Å; P722-L726 PolarHBondContact O-N 3.02Å; V723-L726 PolarHBondContact O-N 3.15Å; A724-L726 VanDerWaalsContact C-N 3.32Å; L726-D728 VanDerWaalsContact C-N 3.28Å; L726-D728 PolarHBondContact O-N 2.79Å; L726-Q729 PolarHBondContact O-N 3.21Å; L726-Q729 VanDerWaalsContact O-N 3.09Å; L726-T730 PolarHBondContact O-N 3.31Å; L726-T730 PolarHBondContact O-OG1 3.29Å
727	K	94.6	Very high	94.7	Very high	101 Å²	101	53.4 Å²	53.4	44%	0.439	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-58.3	-41.2	-179.4	-171.5	175.3	-178.1	172.1	0	111.7	Y502 A724 E725 Q729 T730 F732	Y502-K727 PolarHBondContact OH-N 3.29Å; A724-K727 WeakPolarHBondContact O-CB 3.48Å; A724-K727 PolarHBondContact O-N 3.02Å; E725-K727 PolarHBondContact O-N 3.38Å; K727-Q729 PolarHBondContact O-N 3.5Å; K727-T730 PolarHBondContact O-N 3.02Å; K727-T730 VanDerWaalsContact O-N 3.16Å; K727-F732 HydrophobicContact CG-CE2 3.69Å; K727-F732 HydrophobicContact CG-CZ 3.84Å
728	D	93.3	Very high	95.1	Very high	126 Å²	126	57.9 Å²	57.9	67%	0.674	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-70.6	-22.2	-179.1	-64.4	-26.3	0	0	0	112.7	L726 K738	L726-D728 VanDerWaalsContact C-N 3.28Å; L726-D728 PolarHBondContact O-N 2.79Å; D728-K738 WeakPolarHBondContact O-CD 3.27Å; D728-K738 WeakPolarHBondContact O-CE 3.28Å; D728-K738 PolarHBondContact O-NZ 3.5Å
729	Q	93	Very high	95	Very high	81 Å²	81	64.5 Å²	64.5	38%	0.379	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-92.2	2.6	176.9	-61.7	175.2	42.3	0	0	112.9	L726 K727 K738	L726-Q729 PolarHBondContact O-N 3.21Å; L726-Q729 VanDerWaalsContact O-N 3.09Å; K727-Q729 PolarHBondContact O-N 3.5Å; Q729-K738 PolarHBondContact O-N 3.28Å
730	T	96.5	Very high	94.8	Very high	6 Å²	6	63.3 Å²	63.3	4%	0.037	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	132.2	-173.1	-57.6	0	0	0	0	111.6	F499 Y502 P534 L726 K727 F732 K738	F499-T730 HydrophobicContact CE2-CG2 3.76Å; F499-T730 HydrophobicContact CZ-CG2 3.54Å; Y502-T730 HydrophobicContact CE1-CG2 4.03Å; Y502-T730 PolarHBondContact OH-OG1 3.11Å; P534-T730 WeakPolarHBondContact CB-OG1 3.31Å; P534-T730 HydrophobicContact CG-CG2 3.84Å; P534-T730 WeakPolarHBondContact CG-OG1 3.42Å; L726-T730 PolarHBondContact O-N 3.31Å; L726-T730 PolarHBondContact O-OG1 3.29Å; K727-T730 PolarHBondContact O-N 3.02Å; K727-T730 VanDerWaalsContact O-N 3.16Å; T730-F732 HydrophobicContact CG2-CD1 4.03Å; T730-F732 HydrophobicContact CG2-CD2 3.92Å; T730-F732 HydrophobicContact CG2-CE1 3.91Å; T730-F732 HydrophobicContact CG2-CE2 3.78Å; T730-F732 HydrophobicContact CG2-CG 4.04Å; T730-F732 HydrophobicContact CG2-CZ 3.77Å; T730-K738 WeakPolarHBondContact O-CE 3.44Å
731	D	96.4	Very high	94.5	Very high	42 Å²	42	62.9 Å²	62.9	23%	0.225	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	105.7	160	-177.7	-21.4	0	0	0	108.3	E733 H734 R735 I736	D731-E733 PolarHBondContact OD1-N 3.41Å; D731-H734 IonicContact OD1-CG 3.51Å; D731-H734 PolarHBondContact OD1-N 2.87Å; D731-H734 IonicContact OD1-ND1 2.88Å; D731-H734 PolarHBondContact OD1-ND1 2.84Å; D731-H734 IonicContact OD2-CE1 3.78Å; D731-H734 IonicContact OD2-CG 2.77Å; D731-H734 IonicContact OD2-ND1 2.76Å; D731-H734 PolarHBondContact OD2-ND1 3Å; D731-R735 WeakPolarHBondContact O-CA 3.43Å; D731-R735 PolarHBondContact O-N 2.69Å; D731-I736 HydrophobicContact CB-CG1 3.97Å; D731-I736 PolarHBondContact N-O 3.35Å; D731-I736 PolarHBondContact O-N 2.91Å; D731-I736 VanDerWaalsContact O-N 3.12Å
732	F	95.7	Very high	94.3	Very high	83 Å²	83	61.6 Å²	61.6	36%	0.364	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-26.4	-178.2	-72.8	-83.8	0	0	0	113.4	F499 Y502 L506 K727 T730	F499-F732 HydrophobicContact CE1-CD1 4.3Å; F499-F732 HydrophobicContact CZ-CD1 4.16Å; Y502-F732 HydrophobicContact CE1-CE1 4.17Å; Y502-F732 HydrophobicContact CE1-CZ 4.29Å; L506-F732 HydrophobicContact CD1-CE1 3.61Å; L506-F732 HydrophobicContact CD1-CZ 3.63Å; K727-F732 HydrophobicContact CG-CE2 3.69Å; K727-F732 HydrophobicContact CG-CZ 3.84Å; T730-F732 HydrophobicContact CG2-CD1 4.03Å; T730-F732 HydrophobicContact CG2-CD2 3.92Å; T730-F732 HydrophobicContact CG2-CE1 3.91Å; T730-F732 HydrophobicContact CG2-CE2 3.78Å; T730-F732 HydrophobicContact CG2-CG 4.04Å; T730-F732 HydrophobicContact CG2-CZ 3.77Å
733	E	95.3	Very high	94	Very high	155 Å²	155	63.6 Å²	63.6	72%	0.724	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-49.8	179.7	-178.4	175.7	-169.7	0	0	109.6	D731	D731-E733 PolarHBondContact OD1-N 3.41Å
734	H	95.4	Very high	93.7	Very high	36 Å²	36	70.2 Å²	70.2	17%	0.167	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-9.1	-179.3	-54.9	100.1	0	0	0	113.1	Y576 F596 D731 I736	Y576-H734 HydrophobicContact CD1-CB 4.49Å; Y576-H734 AromaticContact CD1-CD2 3.82Å; Y576-H734 HydrophobicContact CD2-CB 4.05Å; Y576-H734 VanDerWaalsContact CD2-O 3.23Å; Y576-H734 WeakPolarHBondContact CD2-O 3.39Å; Y576-H734 AromaticContact CE1-CD2 3.84Å; Y576-H734 HydrophobicContact CG-CB 3.92Å; F596-H734 HydrophobicContact CE1-CB 3.98Å; F596-H734 AromaticContact CE1-CD2 3.79Å; F596-H734 AromaticContact CE1-CG 3.63Å; F596-H734 AromaticContact CE2-CD2 3.8Å; F596-H734 AromaticContact CE2-NE2 3.95Å; F596-H734 HydrophobicContact CZ-CB 4.33Å; F596-H734 AromaticContact CZ-CD2 3.23Å; F596-H734 WeakPolarHBondContact CZ-CD2 3.35Å; F596-H734 AromaticContact CZ-CE1 3.75Å; F596-H734 AromaticContact CZ-CG 3.51Å; F596-H734 AromaticContact CZ-ND1 3.81Å; F596-H734 AromaticContact CZ-NE2 3.39Å; F596-H734 WeakPolarHBondContact CZ-NE2 3.24Å; D731-H734 IonicContact OD1-CG 3.51Å; D731-H734 PolarHBondContact OD1-N 2.87Å; D731-H734 IonicContact OD1-ND1 2.88Å; D731-H734 PolarHBondContact OD1-ND1 2.84Å; D731-H734 IonicContact OD2-CE1 3.78Å; D731-H734 IonicContact OD2-CG 2.77Å; D731-H734 IonicContact OD2-ND1 2.76Å; D731-H734 PolarHBondContact OD2-ND1 3Å; H734-I736 HydrophobicContact CB-CD1 4.19Å; H734-I736 HydrophobicContact CB-CG1 4.11Å
735	R	96.7	Very high	93.5	Very high	81 Å²	81	68.7 Å²	68.7	31%	0.306	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	50.4	177.7	-55.9	170.9	44.6	170	-4.8	113	F499 E500 N532 D731	F499-R735 HydrophobicContact CD1-CB 3.79Å; F499-R735 HydrophobicContact CD1-CG 3.87Å; F499-R735 HydrophobicContact CD2-CB 3.98Å; F499-R735 WeakPolarHBondContact CD2-O 3.34Å; F499-R735 HydrophobicContact CE1-CB 3.81Å; F499-R735 HydrophobicContact CE1-CG 3.76Å; F499-R735 VanDerWaalsContact CE2-C 3.44Å; F499-R735 HydrophobicContact CE2-CB 4.01Å; F499-R735 HydrophobicContact CG-CB 3.87Å; F499-R735 HydrophobicContact CG-CG 4.45Å; F499-R735 HydrophobicContact CZ-CB 3.92Å; F499-R735 HydrophobicContact CZ-CG 4.26Å; E500-R735 IonicContact OE1-CZ 2.79Å; E500-R735 IonicContact OE1-NH1 3.51Å; E500-R735 PolarHBondContact OE1-NH1 2.84Å; E500-R735 IonicContact OE1-NH2 3.87Å; E500-R735 PolarHBondContact OE1-NH2 2.91Å; E500-R735 IonicContact OE2-CZ 3.86Å; E500-R735 IonicContact OE2-NH2 3.31Å; E500-R735 PolarHBondContact OE2-NH2 2.99Å; N532-R735 PolarHBondContact ND2-O 2.99Å; D731-R735 WeakPolarHBondContact O-CA 3.43Å; D731-R735 PolarHBondContact O-N 2.69Å
736	I	95.9	Very high	93.3	Very high	9 Å²	9	63.9 Å²	63.9	5%	0.046	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	159.9	-179.2	60.1	178.9	0	0	0	111.3	N532 C577 F596 E597 D731 H734	N532-I736 HydrophobicContact CB-CG2 4.29Å; C577-I736 HydrophobicContact CB-CG2 3.82Å; F596-I736 HydrophobicContact CD1-CD1 4.05Å; F596-I736 HydrophobicContact CE1-CD1 4.1Å; E597-I736 HydrophobicContact CG-CD1 4.45Å; D731-I736 HydrophobicContact CB-CG1 3.97Å; D731-I736 PolarHBondContact N-O 3.35Å; D731-I736 PolarHBondContact O-N 2.91Å; D731-I736 VanDerWaalsContact O-N 3.12Å; H734-I736 HydrophobicContact CB-CD1 4.19Å; H734-I736 HydrophobicContact CB-CG1 4.11Å
737	P	95	Very high	93	Very high	16 Å²	16	66 Å²	66	10%	0.104	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	142.7	165.2	-13	29.5	0	0	0	110.4	E739 Q740	P737-E739 VanDerWaalsContact C-N 3.3Å; P737-E739 PolarHBondContact O-N 2.96Å; P737-Q740 HydrophobicContact CB-CG 4.31Å
738	K	92.8	Very high	92.8	Very high	137 Å²	137	62.4 Å²	62.4	60%	0.596	29%	0.294	S	S	*	.	S	Bend	trans	-65.1	-33.6	177.1	-69.4	179.7	-178.2	173.4	0	112.9	D728 Q729 T730	D728-K738 WeakPolarHBondContact O-CD 3.27Å; D728-K738 WeakPolarHBondContact O-CE 3.28Å; D728-K738 PolarHBondContact O-NZ 3.5Å; Q729-K738 PolarHBondContact O-N 3.28Å; T730-K738 WeakPolarHBondContact O-CE 3.44Å
739	E	89.8	Confident	92.7	Very high	172 Å²	172	56.6 Å²	56.6	80%	0.804	26%	0.263	S	S	*	.			trans	-117.2	133.8	177.7	-67.4	-176.3	-178.2	0	0	110.7	P737	P737-E739 VanDerWaalsContact C-N 3.3Å; P737-E739 PolarHBondContact O-N 2.96Å
740	Q	89.6	Confident	92.6	Very high	22 Å²	22	55.7 Å²	55.7	10%	0.103	26%	0.257	C	S	.	.			trans	-137.7	119.8	-176.2	-62.5	-170.3	71.6	0	0	110.9	C577 E597 P737 W742 L743	C577-Q740 PolarHBondContact SG-OE1 3.41Å; E597-Q740 PolarHBondContact OE1-NE2 3.49Å; P737-Q740 HydrophobicContact CB-CG 4.31Å; Q740-W742 HydrophobicContact CB-CZ2 4.27Å; Q740-W742 PolarHBondContact O-N 3.19Å; Q740-L743 HydrophobicContact CB-CD1 4.01Å; Q740-L743 HydrophobicContact CB-CG 4.18Å; Q740-L743 WeakPolarHBondContact O-CB 3.15Å; Q740-L743 PolarHBondContact O-N 2.97Å
741	W	90.2	Very high	92.3	Very high	44 Å²	44	55.6 Å²	55.6	17%	0.167	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-60.8	-31.5	-172.7	68.7	-93.3	0	0	0	113.7	N341 D537 F538 Y579 M583 L743 K744 L745	N341-W741 HydrophobicContact CB-CD2 4.42Å; N341-W741 HydrophobicContact CB-CE3 4.22Å; N341-W741 HydrophobicContact CB-CZ3 4.27Å; D537-W741 PolarHBondContact O-NE1 2.89Å; F538-W741 HydrophobicContact CE1-CH2 4.45Å; F538-W741 AromaticContact CE1-CZ2 3.8Å; F538-W741 HydrophobicContact CE1-CZ2 3.8Å; F538-W741 AromaticContact CE2-CZ2 3.97Å; F538-W741 HydrophobicContact CE2-CZ2 3.97Å; F538-W741 AromaticContact CZ-CH2 3.92Å; F538-W741 HydrophobicContact CZ-CH2 3.92Å; F538-W741 AromaticContact CZ-CZ2 3.38Å; F538-W741 HydrophobicContact CZ-CZ2 3.38Å; Y579-W741 HydrophobicContact CE2-CZ2 4.15Å; M583-W741 HydrophobicContact CE-CH2 3.85Å; W741-L743 VanDerWaalsContact C-N 3.28Å; W741-L743 PolarHBondContact O-N 3.28Å; W741-K744 PolarHBondContact O-N 2.87Å; W741-L745 HydrophobicContact CH2-CD1 4.4Å; W741-L745 HydrophobicContact CZ3-CD1 3.8Å
742	W	91.8	Very high	92	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.008	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-75.9	-14.7	-174.8	57.3	-97.5	0	0	0	112.9	Y579 T582 M583 I595 E597 Q740 K744 L745	Y579-W742 HydrophobicContact CD2-CB 4.26Å; Y579-W742 AromaticContact CD2-CD1 3.46Å; Y579-W742 VanDerWaalsContact CD2-CD1 3.46Å; Y579-W742 HydrophobicContact CD2-CD2 4.22Å; Y579-W742 AromaticContact CD2-CG 3.72Å; Y579-W742 HydrophobicContact CD2-CG 3.72Å; Y579-W742 AromaticContact CD2-NE1 3.73Å; Y579-W742 HydrophobicContact CE2-CG 4.45Å; Y579-W742 VanDerWaalsContact N-CZ2 3.28Å; T582-W742 HydrophobicContact CG2-CE3 3.94Å; T582-W742 HydrophobicContact CG2-CZ3 4.24Å; T582-W742 WeakPolarHBondContact OG1-CZ3 3.42Å; M583-W742 HydrophobicContact SD-CB 4.23Å; I595-W742 HydrophobicContact CD1-CH2 4.04Å; I595-W742 HydrophobicContact CD1-CZ3 3.83Å; E597-W742 HydrophobicContact CG-CH2 4.41Å; E597-W742 VanDerWaalsContact OE1-CH2 3.31Å; E597-W742 WeakPolarHBondContact OE1-CH2 3.07Å; E597-W742 VanDerWaalsContact OE1-CZ2 3.26Å; E597-W742 WeakPolarHBondContact OE1-CZ2 3.16Å; Q740-W742 HydrophobicContact CB-CZ2 4.27Å; Q740-W742 PolarHBondContact O-N 3.19Å; W742-K744 PolarHBondContact O-N 2.93Å; W742-L745 WeakPolarHBondContact O-CB 3.18Å; W742-L745 PolarHBondContact O-N 2.83Å
743	L	92.5	Very high	91.8	Very high	57 Å²	57	50 Å²	50	30%	0.298	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-61.4	-31.1	173.6	-71.4	170.2	0	0	0	111.5	I595 E597 Q740 W741 L745 R746	I595-L743 HydrophobicContact CD1-CD2 3.89Å; E597-L743 HydrophobicContact CB-CD1 4.32Å; E597-L743 HydrophobicContact CB-CD2 3.78Å; E597-L743 HydrophobicContact CG-CD2 4.39Å; Q740-L743 HydrophobicContact CB-CD1 4.01Å; Q740-L743 HydrophobicContact CB-CG 4.18Å; Q740-L743 WeakPolarHBondContact O-CB 3.15Å; Q740-L743 PolarHBondContact O-N 2.97Å; W741-L743 VanDerWaalsContact C-N 3.28Å; W741-L743 PolarHBondContact O-N 3.28Å; L743-L745 PolarHBondContact O-N 3.02Å; L743-L745 VanDerWaalsContact O-N 3.12Å; L743-R746 HydrophobicContact CD2-CG 4.41Å; L743-R746 VanDerWaalsContact O-CB 3.25Å; L743-R746 WeakPolarHBondContact O-CB 3.33Å; L743-R746 WeakPolarHBondContact O-CG 3.4Å; L743-R746 PolarHBondContact O-N 3.39Å; L743-R746 VanDerWaalsContact O-N 3.08Å
744	K	88.4	Confident	91.5	Very high	139 Å²	139	47.9 Å²	47.9	60%	0.604	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-62.5	-16.8	173.7	-64.2	-168.9	169.3	-157.6	0	113.7	W741 W742 P747 D763	W741-K744 PolarHBondContact O-N 2.87Å; W742-K744 PolarHBondContact O-N 2.93Å; K744-P747 WeakPolarHBondContact O-CD 3.33Å; K744-D763 IonicContact NZ-OD2 2.67Å; K744-D763 PolarHBondContact NZ-OD2 3.39Å
745	L	89.8	Confident	91	Very high	12 Å²	12	47.5 Å²	47.5	6%	0.063	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-87.4	-8.5	177.9	-54.9	-178.9	0	0	0	113.1	R315 M583 W741 W742 L743 I748 L749	R315-L745 HydrophobicContact CG-CD2 4.43Å; M583-L745 HydrophobicContact CE-CD1 4.22Å; M583-L745 HydrophobicContact SD-CD1 3.86Å; W741-L745 HydrophobicContact CH2-CD1 4.4Å; W741-L745 HydrophobicContact CZ3-CD1 3.8Å; W742-L745 WeakPolarHBondContact O-CB 3.18Å; W742-L745 PolarHBondContact O-N 2.83Å; L743-L745 PolarHBondContact O-N 3.02Å; L743-L745 VanDerWaalsContact O-N 3.12Å; L745-I748 HydrophobicContact CD2-CD1 4.05Å; L745-I748 WeakPolarHBondContact O-CB 3.4Å; L745-I748 PolarHBondContact O-N 2.61Å; L745-I748 VanDerWaalsContact O-N 3.15Å; L745-L749 PolarHBondContact O-N 3.27Å
746	R	91.3	Very high	89.9	Confident	18 Å²	18	52.1 Å²	52.1	7%	0.068	24%	0.242	C	C	.	.	H	α-helix	trans	-58.8	-42.2	-178.2	-66.2	-74.1	-60.4	168.4	6.7	113.3	T582 A593 E598 L743 I748 L749 K750	T582-R746 VanDerWaalsContact CG2-CD 3.45Å; T582-R746 HydrophobicContact CG2-CG 4.28Å; T582-R746 WeakPolarHBondContact OG1-CD 3.47Å; T582-R746 PolarHBondContact OG1-NH1 2.94Å; A593-R746 VanDerWaalsContact O-CZ 3.26Å; A593-R746 PolarHBondContact O-NH1 2.82Å; A593-R746 PolarHBondContact O-NH2 3.43Å; E598-R746 IonicContact OE1-NH2 3.81Å; E598-R746 IonicContact OE2-CZ 3.87Å; E598-R746 VanDerWaalsContact OE2-CZ 3.24Å; E598-R746 IonicContact OE2-NE 2.71Å; E598-R746 PolarHBondContact OE2-NE 2.95Å; E598-R746 IonicContact OE2-NH2 2.74Å; E598-R746 PolarHBondContact OE2-NH2 2.99Å; L743-R746 HydrophobicContact CD2-CG 4.41Å; L743-R746 VanDerWaalsContact O-CB 3.25Å; L743-R746 WeakPolarHBondContact O-CB 3.33Å; L743-R746 WeakPolarHBondContact O-CG 3.4Å; L743-R746 PolarHBondContact O-N 3.39Å; L743-R746 VanDerWaalsContact O-N 3.08Å; R746-I748 VanDerWaalsContact C-N 3.29Å; R746-I748 PolarHBondContact O-N 2.94Å; R746-L749 WeakPolarHBondContact O-CB 3.49Å; R746-L749 PolarHBondContact O-N 3.02Å; R746-K750 PolarHBondContact O-N 3.32Å
747	P	89.2	Confident	88.9	Confident	47 Å²	47	53.3 Å²	53.3	31%	0.305	25%	0.249	S	C	.	.	H	α-helix	trans	-58.6	-41.6	174.8	-25.8	36.6	0	0	0	112.2	K744 L749 K750 I751 I757	K744-P747 WeakPolarHBondContact O-CD 3.33Å; P747-L749 VanDerWaalsContact C-N 3.26Å; P747-L749 PolarHBondContact O-N 3.29Å; P747-K750 PolarHBondContact O-N 3.47Å; P747-I751 HydrophobicContact CB-CD1 4.32Å; P747-I751 WeakPolarHBondContact O-CD1 3.39Å; P747-I751 WeakPolarHBondContact O-CG1 3.48Å; P747-I751 PolarHBondContact O-N 3.37Å; P747-I757 HydrophobicContact CB-CD1 3.86Å; P747-I757 WeakPolarHBondContact O-CD1 3.4Å
748	I	90	Very high	87.2	Confident	25 Å²	25	56.5 Å²	56.5	13%	0.128	27%	0.265	C	S	.	.	H	α-helix	trans	-58.5	-40	179.9	-59.6	176.2	0	0	0	111.1	V318 L586 L745 R746 L752	V318-I748 HydrophobicContact CG1-CG1 4.49Å; V318-I748 HydrophobicContact CG2-CG2 3.71Å; L586-I748 HydrophobicContact CD1-CG2 4Å; L745-I748 HydrophobicContact CD2-CD1 4.05Å; L745-I748 WeakPolarHBondContact O-CB 3.4Å; L745-I748 PolarHBondContact O-N 2.61Å; L745-I748 VanDerWaalsContact O-N 3.15Å; R746-I748 VanDerWaalsContact C-N 3.29Å; R746-I748 PolarHBondContact O-N 2.94Å; I748-L752 HydrophobicContact CG2-CD1 3.62Å; I748-L752 HydrophobicContact CG2-CG 4.11Å; I748-L752 VanDerWaalsContact O-CB 3.3Å; I748-L752 WeakPolarHBondContact O-CB 3.16Å; I748-L752 VanDerWaalsContact O-CG 3.23Å; I748-L752 WeakPolarHBondContact O-CG 3.27Å; I748-L752 PolarHBondContact O-N 3.01Å
749	L	91.2	Very high	85.8	Confident	5 Å²	5	51.1 Å²	51.1	3%	0.026	24%	0.242	C	C	.	.	H	α-helix	trans	-59.3	-48.2	175.9	-175	154.5	0	0	0	111.3	A593 L745 R746 P747 A753	A593-L749 HydrophobicContact CB-CD1 3.94Å; L745-L749 PolarHBondContact O-N 3.27Å; R746-L749 WeakPolarHBondContact O-CB 3.49Å; R746-L749 PolarHBondContact O-N 3.02Å; P747-L749 VanDerWaalsContact C-N 3.26Å; P747-L749 PolarHBondContact O-N 3.29Å; L749-A753 WeakPolarHBondContact O-CB 3.31Å; L749-A753 PolarHBondContact O-N 2.75Å; L749-A753 VanDerWaalsContact O-N 3.1Å
750	K	90.5	Very high	84.1	Confident	61 Å²	61	47.6 Å²	47.6	27%	0.265	23%	0.229	S	C	.	.	H	α-helix	trans	-66.5	-45	179.8	-72.7	-172.1	-174.9	176.5	0	112.2	E598 R746 P747 A753 K754 Y755 I757	E598-K750 WeakPolarHBondContact OE1-CE 3.46Å; E598-K750 IonicContact OE1-NZ 3.26Å; E598-K750 PolarHBondContact OE1-NZ 2.73Å; R746-K750 PolarHBondContact O-N 3.32Å; P747-K750 PolarHBondContact O-N 3.47Å; K750-A753 CarbonylContact O-C 3.57Å; K750-A753 PolarHBondContact O-N 3.46Å; K750-A753 VanDerWaalsContact O-N 3.08Å; K750-K754 PolarHBondContact O-N 3.4Å; K750-Y755 HydrophobicContact CB-CG 4.48Å; K750-Y755 PolarHBondContact O-N 3.06Å; K750-I757 HydrophobicContact CB-CD1 3.58Å; K750-I757 HydrophobicContact CB-CG1 4.09Å; K750-I757 HydrophobicContact CB-CG2 4.24Å; K750-I757 HydrophobicContact CD-CD1 4.29Å; K750-I757 HydrophobicContact CD-CG2 3.81Å
751	I	90.1	Very high	82.3	Confident	4 Å²	4	48.8 Å²	48.8	2%	0.021	24%	0.238	C	C	.	.	H	α-helix	trans	-57.3	-53.5	175.7	-70	149.2	0	0	0	109.8	V40 F43 W70 P747 A753 K754 I757 L759	V40-I751 HydrophobicContact CG2-CG2 4.22Å; F43-I751 HydrophobicContact CB-CG2 4.27Å; F43-I751 HydrophobicContact CD1-CG2 3.95Å; F43-I751 HydrophobicContact CD2-CG2 4.15Å; F43-I751 HydrophobicContact CE1-CG1 4.12Å; F43-I751 HydrophobicContact CE1-CG2 4.32Å; F43-I751 HydrophobicContact CE2-CG1 4.46Å; F43-I751 HydrophobicContact CG-CG2 3.86Å; F43-I751 HydrophobicContact CZ-CG1 4.06Å; W70-I751 VanDerWaalsContact CH2-O 3.27Å; W70-I751 WeakPolarHBondContact CH2-O 3.49Å; P747-I751 HydrophobicContact CB-CD1 4.32Å; P747-I751 WeakPolarHBondContact O-CD1 3.39Å; P747-I751 WeakPolarHBondContact O-CG1 3.48Å; P747-I751 PolarHBondContact O-N 3.37Å; I751-A753 PolarHBondContact O-N 2.98Å; I751-A753 VanDerWaalsContact O-N 3.09Å; I751-K754 PolarHBondContact O-N 2.98Å; I751-I757 HydrophobicContact CD1-CD1 4.32Å; I751-I757 HydrophobicContact CG1-CD1 3.95Å; I751-I757 HydrophobicContact CG1-CG1 4Å; I751-L759 HydrophobicContact CD1-CB 4.3Å; I751-L759 HydrophobicContact CD1-CD1 3.28Å; I751-L759 HydrophobicContact CD1-CG 3.75Å; I751-L759 HydrophobicContact CG1-CD1 4.07Å
752	L	91.7	Very high	79.7	Confident	3 Å²	3	50.4 Å²	50.4	2%	0.016	26%	0.256	C	S	.	.	H	α-helix	trans	-66.1	-13.7	-179.5	-67.2	175.8	0	0	0	112.9	R35 A36 R39 V40 W70 L586 I748	R35-L752 PolarHBondContact NH2-O 2.88Å; A36-L752 HydrophobicContact CB-CD2 4.29Å; R39-L752 HydrophobicContact CB-CD2 3.77Å; R39-L752 WeakPolarHBondContact CD-O 3.26Å; R39-L752 PolarHBondContact NH1-O 3.08Å; V40-L752 HydrophobicContact CG2-CD2 3.95Å; W70-L752 VanDerWaalsContact CZ2-O 3.32Å; W70-L752 WeakPolarHBondContact CZ2-O 3.22Å; L586-L752 HydrophobicContact CD1-CD1 3.84Å; I748-L752 HydrophobicContact CG2-CD1 3.62Å; I748-L752 HydrophobicContact CG2-CG 4.11Å; I748-L752 VanDerWaalsContact O-CB 3.3Å; I748-L752 WeakPolarHBondContact O-CB 3.16Å; I748-L752 VanDerWaalsContact O-CG 3.23Å; I748-L752 WeakPolarHBondContact O-CG 3.27Å; I748-L752 PolarHBondContact O-N 3.01Å
753	A	90.8	Very high	77.7	Confident	6 Å²	6	56 Å²	56	5%	0.05	29%	0.286	C	S	.	.	H	α-helix	trans	-94.6	-2.5	172.7	0	0	0	0	0	113.9	H611 L749 K750 I751 Y755	H611-A753 PolarHBondContact CE1-O 3.03Å; H611-A753 PolarHBondContact NE2-O 2.86Å; H611-A753 VanDerWaalsContact NE2-O 3.12Å; L749-A753 WeakPolarHBondContact O-CB 3.31Å; L749-A753 PolarHBondContact O-N 2.75Å; L749-A753 VanDerWaalsContact O-N 3.1Å; K750-A753 CarbonylContact O-C 3.57Å; K750-A753 PolarHBondContact O-N 3.46Å; K750-A753 VanDerWaalsContact O-N 3.08Å; I751-A753 PolarHBondContact O-N 2.98Å; I751-A753 VanDerWaalsContact O-N 3.09Å; A753-Y755 HydrophobicContact CB-CD2 3.67Å; A753-Y755 HydrophobicContact CB-CE2 3.74Å
754	K	89.5	Confident	75.9	Confident	109 Å²	109	57.3 Å²	57.3	47%	0.474	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.3	29.9	-178.1	-150.7	-177.3	178.5	175.4	0	114	W70 H611 K750 I751	W70-K754 HydrophobicContact CD2-CB 4.45Å; W70-K754 HydrophobicContact CD2-CD 4.07Å; W70-K754 HydrophobicContact CD2-CG 4.26Å; W70-K754 HydrophobicContact CE3-CG 4.47Å; W70-K754 HydrophobicContact CG-CD 4.21Å; W70-K754 HydrophobicContact CH2-CB 3.89Å; W70-K754 HydrophobicContact CH2-CG 4.26Å; W70-K754 HydrophobicContact CZ2-CB 3.42Å; W70-K754 VanDerWaalsContact CZ2-CB 3.42Å; W70-K754 HydrophobicContact CZ2-CG 4.05Å; W70-K754 HydrophobicContact CZ3-CG 4.44Å; H611-K754 PolarHBondContact CE1-O 3.44Å; K750-K754 PolarHBondContact O-N 3.4Å; I751-K754 PolarHBondContact O-N 2.98Å
755	Y	84.1	Confident	74.3	Confident	28 Å²	28	51.4 Å²	51.4	11%	0.11	27%	0.268	C	S	.	.			trans	-78.6	144.5	169.5	-75.3	-101	0	0	0	110.4	D591 N608 H611 K750 A753 I757	D591-Y755 WeakPolarHBondContact O-CE2 3.49Å; D591-Y755 PolarHBondContact O-OH 2.96Å; N608-Y755 WeakPolarHBondContact OD1-CE1 3.2Å; N608-Y755 PolarHBondContact OD1-OH 3.03Å; H611-Y755 HydrophobicContact CB-CE1 4.02Å; H611-Y755 AromaticContact CD2-CE2 3.6Å; H611-Y755 AromaticContact CD2-CZ 3.53Å; H611-Y755 PolarHBondContact CD2-OH 3.44Å; H611-Y755 AromaticContact CE1-CD2 3.97Å; H611-Y755 AromaticContact CE1-CE2 3.82Å; H611-Y755 AromaticContact CG-CE1 3.91Å; H611-Y755 AromaticContact CG-CE2 3.91Å; H611-Y755 AromaticContact CG-CZ 3.6Å; H611-Y755 AromaticContact NE2-CE2 3.59Å; K750-Y755 HydrophobicContact CB-CG 4.48Å; K750-Y755 PolarHBondContact O-N 3.06Å; A753-Y755 HydrophobicContact CB-CD2 3.67Å; A753-Y755 HydrophobicContact CB-CE2 3.74Å; Y755-I757 PolarHBondContact O-N 3.32Å; Y755-I757 VanDerWaalsContact O-N 3.11Å
756	E	74	Confident	72.8	Confident	178 Å²	178	57.7 Å²	57.7	83%	0.832	30%	0.297	S	S	*	.			trans	-78.6	94.5	171.9	-65.2	-175.4	-175.4	0	0	108.8
757	I	74.1	Confident	71.5	Confident	35 Å²	35	60 Å²	60	18%	0.179	31%	0.31	C	S	.	.			trans	-129.9	163.5	173.6	62.5	154.8	0	0	0	111	K10 P747 K750 I751 Y755	K10-I757 WeakPolarHBondContact CE-O 3.36Å; P747-I757 HydrophobicContact CB-CD1 3.86Å; P747-I757 WeakPolarHBondContact O-CD1 3.4Å; K750-I757 HydrophobicContact CB-CD1 3.58Å; K750-I757 HydrophobicContact CB-CG1 4.09Å; K750-I757 HydrophobicContact CB-CG2 4.24Å; K750-I757 HydrophobicContact CD-CD1 4.29Å; K750-I757 HydrophobicContact CD-CG2 3.81Å; I751-I757 HydrophobicContact CD1-CD1 4.32Å; I751-I757 HydrophobicContact CG1-CD1 3.95Å; I751-I757 HydrophobicContact CG1-CG1 4Å; Y755-I757 PolarHBondContact O-N 3.32Å; Y755-I757 VanDerWaalsContact O-N 3.11Å
758	D	61	Low	70.6	Confident	83 Å²	83	61.5 Å²	61.5	44%	0.444	31%	0.313	S	S	.	.			trans	-78.3	131.6	170.9	-59.2	-32.6	0	0	0	109.2	H6	H6-D758 IonicContact CE1-OD2 3.92Å; H6-D758 IonicContact ND1-OD2 3.78Å
759	L	61.7	Low	69.7	Low	23 Å²	23	64.1 Å²	64.1	12%	0.12	32%	0.324	C	S	.	.			trans	-91.3	104.6	172.9	-163.6	144.7	0	0	0	106.2	A9 F43 M322 I751 T761	A9-L759 HydrophobicContact CB-CB 3.93Å; F43-L759 HydrophobicContact CD1-CD1 4.33Å; F43-L759 HydrophobicContact CE1-CB 4.35Å; F43-L759 HydrophobicContact CE1-CD1 4.09Å; M322-L759 HydrophobicContact CE-CD1 3.39Å; M322-L759 HydrophobicContact CE-CD2 3.37Å; M322-L759 HydrophobicContact CE-CG 4.04Å; M322-L759 HydrophobicContact SD-CD2 4.12Å; I751-L759 HydrophobicContact CD1-CB 4.3Å; I751-L759 HydrophobicContact CD1-CD1 3.28Å; I751-L759 HydrophobicContact CD1-CG 3.75Å; I751-L759 HydrophobicContact CG1-CD1 4.07Å; L759-T761 HydrophobicContact CD2-CG2 3.64Å; L759-T761 PolarHBondContact O-N 3.36Å
760	D	55.5	Low	68.4	Low	98 Å²	98	64.6 Å²	64.6	52%	0.524	33%	0.327	S	S	.	.			trans	-66.1	107.2	173.6	-172.4	3.6	0	0	0	108.8	S762	D760-S762 VanDerWaalsContact C-N 3.32Å; D760-S762 WeakPolarHBondContact OD1-CB 3.36Å; D760-S762 PolarHBondContact OD1-N 3.01Å; D760-S762 PolarHBondContact OD1-OG 3.08Å; D760-S762 PolarHBondContact OD2-OG 3.28Å
761	T	50.7	Low	66.8	Low	47 Å²	47	66.5 Å²	66.5	29%	0.288	34%	0.343	S	S	.	.			trans	-88.5	-0.2	177.1	53.2	0	0	0	0	111.7	A9 L12 L759 D763 H764	A9-T761 HydrophobicContact CB-CG2 3.95Å; L12-T761 HydrophobicContact CD1-CG2 4.41Å; L759-T761 HydrophobicContact CD2-CG2 3.64Å; L759-T761 PolarHBondContact O-N 3.36Å; T761-D763 VanDerWaalsContact C-N 3.32Å; T761-D763 PolarHBondContact O-N 2.96Å; T761-H764 PolarHBondContact O-CD2 2.89Å; T761-H764 PolarHBondContact O-CE1 3.15Å; T761-H764 PolarHBondContact O-ND1 3.16Å; T761-H764 PolarHBondContact O-NE2 3.29Å
762	S	36.8	Very low	64.9	Low	79 Å²	79	75.3 Å²	75.3	55%	0.552	38%	0.376	S	S	*	.			trans	-66.2	-29.4	-169.7	60.7	0	0	0	0	114.4	D760 H764	D760-S762 VanDerWaalsContact C-N 3.32Å; D760-S762 WeakPolarHBondContact OD1-CB 3.36Å; D760-S762 PolarHBondContact OD1-N 3.01Å; D760-S762 PolarHBondContact OD1-OG 3.08Å; D760-S762 PolarHBondContact OD2-OG 3.28Å; S762-H764 PolarHBondContact O-N 2.74Å
763	D	49.6	Very low	63	Low	120 Å²	120	77.2 Å²	77.2	64%	0.642	39%	0.385	S	S	*	.	S	Bend	trans	-87	72.5	173.4	-106.6	-13.4	0	0	0	110.1	K744 T761	K744-D763 IonicContact NZ-OD2 2.67Å; K744-D763 PolarHBondContact NZ-OD2 3.39Å; T761-D763 VanDerWaalsContact C-N 3.32Å; T761-D763 PolarHBondContact O-N 2.96Å
764	H	53	Low	60.9	Low	83 Å²	83	83.4 Å²	83.4	38%	0.384	41%	0.407	S	S	.	.			trans	-72.9	127.2	173.9	-63.8	-75.5	0	0	0	110.9	E326 T761 S762 H766	E326-H764 IonicContact OE1-CE1 2.69Å; E326-H764 PolarHBondContact OE1-CE1 3.04Å; E326-H764 VanDerWaalsContact OE1-CE1 3.26Å; E326-H764 IonicContact OE1-ND1 3.59Å; E326-H764 PolarHBondContact OE1-ND1 2.99Å; E326-H764 IonicContact OE2-ND1 3.66Å; T761-H764 PolarHBondContact O-CD2 2.89Å; T761-H764 PolarHBondContact O-CE1 3.15Å; T761-H764 PolarHBondContact O-ND1 3.16Å; T761-H764 PolarHBondContact O-NE2 3.29Å; S762-H764 PolarHBondContact O-N 2.74Å; H764-H766 PolarHBondContact O-N 2.94Å
765	A	56.4	Low	58.4	Low	16 Å²	16	82.4 Å²	82.4	13%	0.132	41%	0.414	C	S	.	.			trans	-70.1	104	166.5	0	0	0	0	0	109.2	E319 R345	E319-A765 WeakPolarHBondContact OE1-CB 3.14Å; R345-A765 VanDerWaalsContact CD-O 3.27Å; R345-A765 WeakPolarHBondContact CD-O 3.38Å; R345-A765 HydrophobicContact CG-CB 4.01Å; R345-A765 PolarHBondContact NE-O 2.9Å
766	H	58	Low	56	Low	144 Å²	144	83.3 Å²	83.3	67%	0.667	43%	0.431	S	S	*	.			trans	-65.7	150.8	174.3	-64	-62.4	0	0	0	111.1	H764 E768	H764-H766 PolarHBondContact O-N 2.94Å; H766-E768 PolarHBondContact O-N 3.3Å; H766-E768 VanDerWaalsContact O-N 3.13Å
767	L	63.4	Low	54	Low	65 Å²	65	81.7 Å²	81.7	34%	0.34	42%	0.424	S	S	.	.	B	Isolated β-bridge	trans	-65.3	111.5	171.5	-164	92	0	0	0	108.6	P332 C334 R345 P347	P332-L767 HydrophobicContact CG-CD1 4.46Å; P332-L767 HydrophobicContact CG-CD2 3.73Å; C334-L767 HydrophobicContact CB-CD1 3.7Å; R345-L767 HydrophobicContact CB-CD1 4.48Å; R345-L767 WeakPolarHBondContact O-CA 3.23Å; P347-L767 HydrophobicContact CG-CD2 3.97Å; P347-L767 HydrophobicContact CG-CG 4.16Å
768	E	70.7	Confident	51.7	Low	79 Å²	79	84.9 Å²	84.9	37%	0.369	46%	0.455	S	S	.	.			trans	-101.4	128.9	178.8	-69.6	-177.5	177.7	0	0	110.6	R345 L346 P347 H766 K773	R345-E768 PolarHBondContact O-N 2.67Å; L346-E768 HydrophobicContact CD2-CB 3.85Å; L346-E768 WeakPolarHBondContact CD2-O 3.47Å; P347-E768 WeakPolarHBondContact CD-O 3.25Å; H766-E768 PolarHBondContact O-N 3.3Å; H766-E768 VanDerWaalsContact O-N 3.13Å; E768-K773 WeakPolarHBondContact OE2-CE 3.48Å
769	H	71.4	Confident	49.9	Very low	80 Å²	80	85 Å²	85	37%	0.37	47%	0.468	S	S	.	.			trans	-75.1	140.7	171.6	-70.1	-80.9	0	0	0	111.3	E350 T771 R772	E350-H769 IonicContact OE1-CE1 3.53Å; E350-H769 PolarHBondContact OE1-CE1 2.95Å; E350-H769 IonicContact OE1-CG 3.95Å; E350-H769 IonicContact OE1-ND1 3.13Å; E350-H769 PolarHBondContact OE1-ND1 3.41Å; E350-H769 IonicContact OE2-ND1 3.63Å; H769-T771 PolarHBondContact O-N 3.47Å; H769-R772 PolarHBondContact O-N 2.92Å
770	I	63.9	Low	48.3	Very low	16 Å²	16	94.7 Å²	94.7	8%	0.082	53%	0.527	C	S	.	.	H	α-helix	trans	-63.3	-31.7	-176.4	-62.2	177.8	0	0	0	111.6	L346 E350 C351 V354 R772 K773 R774	L346-I770 HydrophobicContact CD1-CG1 4.46Å; E350-I770 VanDerWaalsContact C-CD1 3.45Å; E350-I770 HydrophobicContact CB-CD1 3.59Å; E350-I770 HydrophobicContact CB-CG1 4.09Å; E350-I770 PolarHBondContact OE2-N 3Å; C351-I770 VanDerWaalsContact CA-CD1 3.49Å; C351-I770 HydrophobicContact CB-CD1 4.07Å; C351-I770 WeakPolarHBondContact SG-CD1 3.24Å; V354-I770 HydrophobicContact CG2-CD1 4.4Å; V354-I770 HydrophobicContact CG2-CG2 4.46Å; I770-R772 VanDerWaalsContact C-N 3.33Å; I770-R772 PolarHBondContact O-N 3.31Å; I770-K773 WeakPolarHBondContact O-CB 3.37Å; I770-K773 PolarHBondContact O-N 3.3Å; I770-K773 VanDerWaalsContact O-N 3.15Å; I770-R774 PolarHBondContact O-N 2.94Å
771	T	56.6	Low	47.9	Very low	100 Å²	100	94.5 Å²	94.5	61%	0.613	53%	0.528	S	S	*	.	H	α-helix	trans	-61.8	-38	179.7	50.8	0	0	0	0	112.3	H769 K773 R774 S775	H769-T771 PolarHBondContact O-N 3.47Å; T771-K773 VanDerWaalsContact C-N 3.33Å; T771-K773 PolarHBondContact O-N 2.95Å; T771-R774 PolarHBondContact O-N 3.46Å; T771-S775 PolarHBondContact O-N 3.44Å; T771-S775 PolarHBondContact O-OG 2.67Å
772	R	49.5	Very low	47.7	Very low	189 Å²	189	97 Å²	97	71%	0.713	54%	0.54	S	S	*	.	H	α-helix	trans	-66.4	-33.7	175.4	-73.4	-174	177	179.3	0.1	112.5	H769 I770 R774 S775 G776	H769-R772 PolarHBondContact O-N 2.92Å; I770-R772 VanDerWaalsContact C-N 3.33Å; I770-R772 PolarHBondContact O-N 3.31Å; R772-R774 PolarHBondContact O-N 2.9Å; R772-S775 PolarHBondContact O-N 3.25Å; R772-S775 PolarHBondContact O-OG 3.33Å; R772-G776 PolarHBondContact O-N 2.69Å; R772-G776 VanDerWaalsContact O-N 3.17Å
773	K	51.9	Low	48.3	Very low	44 Å²	44	98 Å²	98	19%	0.191	54%	0.539	C	S	.	.	H	α-helix	trans	-65.1	-24.3	175.4	-79.6	-173.2	172.8	-174.7	0	113.3	L346 E768 I770 T771	L346-K773 HydrophobicContact CD2-CD 4.48Å; E768-K773 WeakPolarHBondContact OE2-CE 3.48Å; I770-K773 WeakPolarHBondContact O-CB 3.37Å; I770-K773 PolarHBondContact O-N 3.3Å; I770-K773 VanDerWaalsContact O-N 3.15Å; T771-K773 VanDerWaalsContact C-N 3.33Å; T771-K773 PolarHBondContact O-N 2.95Å
774	R	47.7	Very low	48.3	Very low	136 Å²	136	96.7 Å²	96.7	51%	0.513	53%	0.533	S	S	.	.	H	α-helix	trans	-83.6	-27.5	177.7	-68.4	-175.9	175.5	-177.9	-1.6	113.2	L373 I770 T771 R772	L373-R774 VanDerWaalsContact CD2-NH2 3.28Å; I770-R774 PolarHBondContact O-N 2.94Å; T771-R774 PolarHBondContact O-N 3.46Å; R772-R774 PolarHBondContact O-N 2.9Å
775	S	36	Very low	48	Very low	88 Å²	88	97.6 Å²	97.6	62%	0.615	54%	0.543	S	S	*	.	H	α-helix	trans	-103	-9.2	-175	54.1	0	0	0	0	115.8	T771 R772 E777	T771-S775 PolarHBondContact O-N 3.44Å; T771-S775 PolarHBondContact O-OG 2.67Å; R772-S775 PolarHBondContact O-N 3.25Å; R772-S775 PolarHBondContact O-OG 3.33Å; S775-E777 VanDerWaalsContact C-N 3.31Å; S775-E777 PolarHBondContact O-N 3.28Å
776	G	33.6	Very low	47.4	Very low	47 Å²	47	103 Å²	103	49%	0.485	57%	0.57	S	S	.	*			trans	-75.5	48.5	-169.9	0	0	0	0	0	118.4	R772	R772-G776 PolarHBondContact O-N 2.69Å; R772-G776 VanDerWaalsContact O-N 3.17Å
777	E	32.8	Very low	46.7	Very low	143 Å²	143	100.1 Å²	100.1	67%	0.668	56%	0.563	S	S	*	*			trans	-114.5	18.9	170.6	-92.8	175.1	170.6	0	0	113.7	R376 S775	R376-E777 IonicContact CZ-OE1 2.71Å; R376-E777 IonicContact CZ-OE2 2.87Å; R376-E777 VanDerWaalsContact NH1-CD 3.28Å; R376-E777 IonicContact NH1-OE1 3.24Å; R376-E777 PolarHBondContact NH1-OE1 2.97Å; R376-E777 IonicContact NH1-OE2 3.91Å; R376-E777 PolarHBondContact NH1-OE2 2.92Å; R376-E777 IonicContact NH2-OE1 2.83Å; R376-E777 IonicContact NH2-OE2 3.28Å; R376-E777 PolarHBondContact NH2-OE2 3.27Å; S775-E777 VanDerWaalsContact C-N 3.31Å; S775-E777 PolarHBondContact O-N 3.28Å
778	A	25.9	Very low	45.4	Very low	102 Å²	102	102.8 Å²	102.8	84%	0.843	58%	0.58	S	S	*	*	S	Bend	trans	-110.9	6.5	176.9	0	0	0	0	0	114.9
779	A	22	Very low	43.3	Very low	86 Å²	86	104.8 Å²	104.8	71%	0.711	60%	0.598	S	S	*	*			trans	-146.5	122.8	174.8	0	0	0	0	0	110.8
780	V	27.8	Very low	40.7	Very low	226 Å²	226	107 Å²	107	100%	1.37	62%	0.619	S	S	*	*			trans	104.7	0	-179.2	-173.2	0	0	0	0	113.9

Retrieved 780 of 780 residues in 162.8 ms (Link to these results)

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