A0A093GYV1_STRCA Loading...

V-type proton ATPase catalytic subunit A

Catalytic subunit of the V1 complex of vacuolar(H+)-ATPase (V-ATPase), a multisubunit enzyme composed of a peripheral complex (V1) that hydrolyzes ATP and a membrane integral complex (V0) that translocates protons. V-ATPase is responsible for acidifying and maintaining the pH of intracellular compartments and in some cell types, is targeted to the plasma membrane, where it is responsible for acidifying the extracellular environment. In aerobic conditions, involved in intracellular iron homeostasis, thus triggering the activity of Fe(2+) prolyl hydroxylase (PHD) enzymes, and leading to HIF1A hydroxylation and subsequent proteasomal degradation. May play a role in neurite development and synaptic connectivity.

AlphaFold DB , UniProt , Accession A0A093GYV1, Species STRCA (Struthio camelus australis), Gene n/a, Length 617 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	38.8	Very low	44.9	Very low	163 Å²	163	92 Å²	92	80%	0.803	44%	0.436	S	S	*	.				0	132.7	0	-80.6	-179.2	-174.7	0	0	107	K84 I208	M1-K84 PolarHBondContact SD-NZ 3.18Å; M1-I208 HydrophobicContact CB-CD1 4.17Å; M1-I208 WeakPolarHBondContact O-CD1 2.92Å
2	D	34	Very low	45.6	Very low	30 Å²	30	89 Å²	89	16%	0.16	42%	0.422	C	S	.	.			trans	-88.4	127.1	-169	-178.5	-8.1	0	0	0	109.6	S4 K5 L6	D2-S4 PolarHBondContact O-N 2.8Å; D2-S4 VanDerWaalsContact OD1-CB 3.26Å; D2-S4 WeakPolarHBondContact OD1-CB 3.42Å; D2-S4 PolarHBondContact OD1-N 3.13Å; D2-S4 PolarHBondContact OD1-OG 3.29Å; D2-S4 PolarHBondContact OD2-OG 3.49Å; D2-K5 HydrophobicContact CB-CB 4.03Å; D2-K5 HydrophobicContact CB-CD 3.89Å; D2-K5 HydrophobicContact CB-CG 3.8Å; D2-K5 CarbonylContact O-C 3.57Å; D2-K5 WeakPolarHBondContact O-CA 3.29Å; D2-K5 WeakPolarHBondContact O-CB 3.4Å; D2-K5 PolarHBondContact O-N 2.89Å; D2-L6 PolarHBondContact O-N 3.34Å
3	F	37.7	Very low	45.7	Very low	45 Å²	45	94.7 Å²	94.7	20%	0.197	46%	0.456	C	S	.	.	G	3₁₀ helix	trans	-65.8	-17.8	177	-79.7	-93.5	0	0	0	112.6	L6 E89 N123 I208	F3-L6 HydrophobicContact CD1-CD1 3.74Å; F3-L6 HydrophobicContact CE1-CD1 4.46Å; F3-E89 HydrophobicContact CD2-CG 3.68Å; F3-E89 VanDerWaalsContact CD2-OE1 3.22Å; F3-E89 WeakPolarHBondContact CD2-OE1 3.46Å; F3-E89 HydrophobicContact CE2-CG 3.37Å; F3-N123 PolarHBondContact O-ND2 3.06Å; F3-N123 VanDerWaalsContact O-ND2 3.17Å; F3-I208 HydrophobicContact CE2-CD1 4.19Å; F3-I208 HydrophobicContact CE2-CG1 4.33Å; F3-I208 HydrophobicContact CZ-CG2 4.43Å
4	S	36.4	Very low	46.4	Very low	59 Å²	59	99.6 Å²	99.6	41%	0.413	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-74.9	-13.8	168.3	80.3	0	0	0	0	113.2	D2	D2-S4 PolarHBondContact O-N 2.8Å; D2-S4 VanDerWaalsContact OD1-CB 3.26Å; D2-S4 WeakPolarHBondContact OD1-CB 3.42Å; D2-S4 PolarHBondContact OD1-N 3.13Å; D2-S4 PolarHBondContact OD1-OG 3.29Å; D2-S4 PolarHBondContact OD2-OG 3.49Å
5	K	38.7	Very low	47.2	Very low	164 Å²	164	104.1 Å²	104.1	71%	0.713	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-106	15.6	174.5	-61.3	-177.1	-173.5	177.8	0	113.4	D2	D2-K5 HydrophobicContact CB-CB 4.03Å; D2-K5 HydrophobicContact CB-CD 3.89Å; D2-K5 HydrophobicContact CB-CG 3.8Å; D2-K5 CarbonylContact O-C 3.57Å; D2-K5 WeakPolarHBondContact O-CA 3.29Å; D2-K5 WeakPolarHBondContact O-CB 3.4Å; D2-K5 PolarHBondContact O-N 2.89Å
6	L	47	Very low	48.1	Very low	31 Å²	31	102 Å²	102	16%	0.162	49%	0.494	C	S	.	.	S	Bend	trans	-60.8	137.9	159	-75.7	170.1	0	0	0	107.3	D2 F3 K8 T82	D2-L6 PolarHBondContact O-N 3.34Å; F3-L6 HydrophobicContact CD1-CD1 3.74Å; F3-L6 HydrophobicContact CE1-CD1 4.46Å; L6-K8 PolarHBondContact O-N 2.96Å; L6-K8 VanDerWaalsContact O-N 3.08Å; L6-T82 HydrophobicContact CD2-CG2 4.43Å
7	P	45.8	Very low	49.6	Very low	41 Å²	41	100.7 Å²	100.7	27%	0.266	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-53.2	124.1	177.6	20.1	-29.1	0	0	0	108	E12 L80	P7-E12 HydrophobicContact CB-CB 4.35Å; P7-E12 WeakPolarHBondContact CB-OE2 3.25Å; P7-E12 WeakPolarHBondContact CG-OE2 3.36Å; P7-L80 HydrophobicContact CB-CD2 4.29Å; P7-L80 HydrophobicContact CG-CD2 4.32Å; P7-L80 WeakPolarHBondContact O-CD2 3.46Å
8	K	56.2	Low	51.5	Low	98 Å²	98	96.2 Å²	96.2	43%	0.426	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-75.2	161	166.3	-62.9	175.6	-179.2	172.2	0	107.3	L6 R10 D11 E12 E49	L6-K8 PolarHBondContact O-N 2.96Å; L6-K8 VanDerWaalsContact O-N 3.08Å; K8-R10 PolarHBondContact O-N 3.47Å; K8-D11 HydrophobicContact CB-CB 4.46Å; K8-D11 VanDerWaalsContact CB-OD2 3.3Å; K8-D11 WeakPolarHBondContact CB-OD2 3.49Å; K8-D11 WeakPolarHBondContact CG-OD2 3.44Å; K8-D11 PolarHBondContact N-OD2 3.17Å; K8-D11 PolarHBondContact O-N 3.03Å; K8-E12 PolarHBondContact O-N 2.9Å; K8-E49 WeakPolarHBondContact CA-OE1 3.45Å; K8-E49 WeakPolarHBondContact CB-OE1 3.29Å
9	I	56.3	Low	53.6	Low	42 Å²	42	91.1 Å²	91.1	22%	0.215	44%	0.441	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-24.9	176.7	-63.2	173.6	0	0	0	111.2	G46 E49 P78 L80	I9-G46 WeakPolarHBondContact CD1-O 3.42Å; I9-E49 HydrophobicContact CD1-CG 3.78Å; I9-E49 HydrophobicContact CG1-CG 4.08Å; I9-E49 PolarHBondContact N-OE1 2.94Å; I9-P78 HydrophobicContact CD1-CB 4.28Å; I9-P78 HydrophobicContact CD1-CG 3.88Å; I9-P78 HydrophobicContact CG2-CB 4.17Å; I9-P78 HydrophobicContact CG2-CG 4.06Å; I9-L80 HydrophobicContact CG1-CB 4.09Å; I9-L80 HydrophobicContact CG1-CD2 4.28Å
10	R	52.1	Low	55.7	Low	236 Å²	236	91.8 Å²	91.8	89%	0.891	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-14.6	176.7	-61.7	-177.1	179.8	-175	-0.6	115.1	K8	K8-R10 PolarHBondContact O-N 3.47Å
11	D	51.4	Low	57.6	Low	103 Å²	103	87.5 Å²	87.5	55%	0.551	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102	-7.9	-173	-58.2	-28.8	0	0	0	112.5	K8	K8-D11 HydrophobicContact CB-CB 4.46Å; K8-D11 VanDerWaalsContact CB-OD2 3.3Å; K8-D11 WeakPolarHBondContact CB-OD2 3.49Å; K8-D11 WeakPolarHBondContact CG-OD2 3.44Å; K8-D11 PolarHBondContact N-OD2 3.17Å; K8-D11 PolarHBondContact O-N 3.03Å
12	E	52.8	Low	60.3	Low	56 Å²	56	85.2 Å²	85.2	26%	0.262	41%	0.406	S	S	.	.			trans	-102.2	100.7	-175.4	-164	70.9	-134.2	0	0	111.3	P7 K8 R14 F17 L80	P7-E12 HydrophobicContact CB-CB 4.35Å; P7-E12 WeakPolarHBondContact CB-OE2 3.25Å; P7-E12 WeakPolarHBondContact CG-OE2 3.36Å; K8-E12 PolarHBondContact O-N 2.9Å; E12-R14 PolarHBondContact O-N 3.36Å; E12-F17 HydrophobicContact CG-CB 4.28Å; E12-L80 HydrophobicContact CB-CD1 4.2Å; E12-L80 HydrophobicContact CG-CD1 4.11Å
13	D	46.9	Very low	63.1	Low	163 Å²	163	84.9 Å²	84.9	87%	0.872	41%	0.41	S	S	*	.			trans	-72.9	-3.1	179.1	-71.2	-37.2	0	0	0	113.8
14	R	56	Low	65.7	Low	164 Å²	164	85.6 Å²	85.6	62%	0.619	42%	0.415	S	S	*	.			trans	-102.9	100.1	-174.9	-67	-179.5	178.6	-178.5	0.3	111.4	E12 A16 F17	E12-R14 PolarHBondContact O-N 3.36Å; R14-A16 PolarHBondContact O-N 3.19Å; R14-F17 HydrophobicContact CB-CD2 3.81Å; R14-F17 HydrophobicContact CB-CE2 4.46Å; R14-F17 PolarHBondContact O-N 2.97Å
15	E	57.3	Low	68.2	Low	167 Å²	167	86.3 Å²	86.3	78%	0.78	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-49.8	-29.6	173.3	-71.2	-176.4	159.8	0	0	113.4	F17 V18	E15-F17 PolarHBondContact O-N 3.24Å; E15-V18 PolarHBondContact O-N 3.41Å
16	A	62.2	Low	70.5	Confident	70 Å²	70	80.1 Å²	80.1	58%	0.579	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-61.8	-22.4	178.7	0	0	0	0	0	114.1	R14 R81	R14-A16 PolarHBondContact O-N 3.19Å; A16-R81 PolarHBondContact O-NH2 3.04Å
17	F	73.6	Confident	72.4	Confident	80 Å²	80	80.2 Å²	80.2	35%	0.351	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-91.8	-3.7	-178.9	-77.2	-87.1	0	0	0	114.1	E12 R14 E15 L80 R81	E12-F17 HydrophobicContact CG-CB 4.28Å; R14-F17 HydrophobicContact CB-CD2 3.81Å; R14-F17 HydrophobicContact CB-CE2 4.46Å; R14-F17 PolarHBondContact O-N 2.97Å; E15-F17 PolarHBondContact O-N 3.24Å; F17-L80 HydrophobicContact CB-CD1 4.46Å; F17-R81 PolarHBondContact O-N 3.21Å; F17-R81 PolarHBondContact O-NE 3.04Å
18	V	84.6	Confident	74.6	Confident	19 Å²	19	79 Å²	79	12%	0.115	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	117.8	-174.5	-175.5	0	0	0	0	110.4	E15 N33 P78 L80	E15-V18 PolarHBondContact O-N 3.41Å; V18-N33 PolarHBondContact O-ND2 3.04Å; V18-P78 HydrophobicContact CG1-CB 3.95Å; V18-L80 HydrophobicContact CG2-CD1 4.15Å
19	G	91.3	Very high	76.4	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	178.4	165.2	0	0	0	0	0	111.8	C32 N33 V79	G19-C32 CarbonylContact C-O 3.44Å; G19-C32 VanDerWaalsContact CA-O 3.25Å; G19-C32 WeakPolarHBondContact CA-O 3.42Å; G19-N33 WeakPolarHBondContact CA-O 3.39Å; G19-V79 PolarHBondContact N-O 3.21Å; G19-V79 PolarHBondContact O-N 3.44Å
20	Y	94	Very high	78.2	Confident	105 Å²	105	74.2 Å²	74.2	41%	0.412	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	143	178.4	-62.1	-78.8	0	0	0	111.3	H22 A31 C32 N33 D77	Y20-H22 PolarHBondContact O-N 3.35Å; Y20-A31 CarbonylContact O-C 3.6Å; Y20-A31 WeakPolarHBondContact O-CA 3.44Å; Y20-C32 PolarHBondContact N-O 3.01Å; Y20-C32 PolarHBondContact O-N 3.07Å; Y20-C32 PolarHBondContact O-SG 3.39Å; Y20-C32 VanDerWaalsContact O-SG 3.4Å; Y20-N33 HydrophobicContact CD2-CB 4.49Å; Y20-D77 CarbonylContact C-O 3.57Å; Y20-D77 WeakPolarHBondContact CA-O 3.24Å
21	V	96	Very high	80.3	Confident	2 Å²	2	63 Å²	63	1%	0.012	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	119.7	175.5	176.3	0	0	0	0	109.6	I24 V29 V45 V73 V75 G76 D77 V79	V21-I24 HydrophobicContact CG1-CD1 3.89Å; V21-I24 HydrophobicContact CG1-CG1 3.59Å; V21-V29 HydrophobicContact CB-CG1 4.39Å; V21-V29 HydrophobicContact CG1-CG1 3.78Å; V21-V29 HydrophobicContact CG2-CG1 3.87Å; V21-V45 HydrophobicContact CG2-CG1 4.02Å; V21-V73 HydrophobicContact CG2-CG1 4.11Å; V21-V75 WeakPolarHBondContact O-CG1 3.47Å; V21-G76 PolarHBondContact O-N 3.46Å; V21-D77 HydrophobicContact CB-CB 4.29Å; V21-D77 HydrophobicContact CG2-CB 3.92Å; V21-D77 WeakPolarHBondContact CG2-O 3.13Å; V21-D77 PolarHBondContact N-O 3.29Å; V21-V79 HydrophobicContact CG2-CG2 3.6Å
22	H	95.4	Very high	82.3	Confident	114 Å²	114	59.7 Å²	59.7	53%	0.528	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	-39.5	175.7	-177.8	68.6	0	0	0	112	Y20 T30 C32	Y20-H22 PolarHBondContact O-N 3.35Å; H22-T30 WeakPolarHBondContact CA-O 3.44Å; H22-T30 HydrophobicContact CB-CG2 4.44Å; H22-T30 WeakPolarHBondContact CB-O 3.46Å; H22-T30 PolarHBondContact N-O 3.14Å; H22-C32 HydrophobicContact CB-CB 4.27Å
23	G	92.9	Very high	84.2	Confident	23 Å²	23	60.5 Å²	60.5	24%	0.237	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	154.9	-178.9	0	0	0	0	0	112.7	T30	G23-T30 PolarHBondContact N-O 3.28Å; G23-T30 VanDerWaalsContact N-O 3.12Å; G23-T30 PolarHBondContact O-N 3.43Å
24	I	92.9	Very high	86.2	Confident	61 Å²	61	52.9 Å²	52.9	31%	0.313	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	127.9	-174.6	-55.7	157.1	0	0	0	108.6	V21 V29 V73	V21-I24 HydrophobicContact CG1-CD1 3.89Å; V21-I24 HydrophobicContact CG1-CG1 3.59Å; I24-V29 HydrophobicContact CG1-CG1 4.37Å; I24-V29 HydrophobicContact CG1-CG2 4.4Å; I24-V29 HydrophobicContact CG2-CG2 4.3Å; I24-V73 VanDerWaalsContact CD1-C 3.48Å; I24-V73 HydrophobicContact CD1-CB 3.86Å; I24-V73 HydrophobicContact CD1-CG1 3.71Å; I24-V73 WeakPolarHBondContact CD1-O 3.46Å; I24-V73 HydrophobicContact CG1-CG1 4.4Å
25	S	88.6	Confident	87.7	Confident	73 Å²	73	48.1 Å²	48.1	51%	0.51	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	92.2	176.6	-173.9	0	0	0	0	110.1	V28	S25-V28 PolarHBondContact N-O 2.99Å; S25-V28 PolarHBondContact O-N 3.03Å
26	G	87.3	Confident	89.1	Confident	35 Å²	35	43.9 Å²	43.9	36%	0.361	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	-127.6	-174.6	0	0	0	0	0	111.2	V28 T70	G26-V28 PolarHBondContact O-N 3.3Å; G26-T70 PolarHBondContact O-OG1 3.15Å
27	P	87.3	Confident	90.4	Very high	33 Å²	33	41.2 Å²	41.2	21%	0.214	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-7.1	-179.5	32.8	-35.3	0	0	0	114	V66	P27-V66 PolarHBondContact O-N 3.41Å
28	V	91.2	Very high	91.2	Very high	14 Å²	14	40 Å²	40	9%	0.085	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	127.1	-178.8	-177.8	0	0	0	0	109.7	S25 G26 T63 V64 R364	S25-V28 PolarHBondContact N-O 2.99Å; S25-V28 PolarHBondContact O-N 3.03Å; G26-V28 PolarHBondContact O-N 3.3Å; V28-T63 HydrophobicContact CG1-CG2 3.3Å; V28-V64 WeakPolarHBondContact CA-O 3.42Å; V28-R364 HydrophobicContact CG2-CB 3.89Å
29	V	93.9	Very high	91.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	126.9	178.1	179.3	0	0	0	0	108.6	V21 I24 V45 V64 V66 T70	V21-V29 HydrophobicContact CB-CG1 4.39Å; V21-V29 HydrophobicContact CG1-CG1 3.78Å; V21-V29 HydrophobicContact CG2-CG1 3.87Å; I24-V29 HydrophobicContact CG1-CG1 4.37Å; I24-V29 HydrophobicContact CG1-CG2 4.4Å; I24-V29 HydrophobicContact CG2-CG2 4.3Å; V29-V45 HydrophobicContact CG1-CG1 4.13Å; V29-V45 HydrophobicContact CG2-CG1 4.47Å; V29-V64 HydrophobicContact CB-CB 4.47Å; V29-V64 PolarHBondContact N-O 3.34Å; V29-V64 WeakPolarHBondContact O-CA 3.46Å; V29-V64 WeakPolarHBondContact O-CB 3.25Å; V29-V64 PolarHBondContact O-N 2.97Å; V29-V66 HydrophobicContact CB-CG2 4.22Å; V29-V66 HydrophobicContact CG2-CG2 3.59Å; V29-T70 HydrophobicContact CG2-CG2 3.92Å
30	T	94.7	Very high	91.5	Very high	40 Å²	40	48.2 Å²	48.2	25%	0.245	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	122.2	171.7	-55.9	0	0	0	0	108.3	H22 G23 L61 A62	H22-T30 WeakPolarHBondContact CA-O 3.44Å; H22-T30 HydrophobicContact CB-CG2 4.44Å; H22-T30 WeakPolarHBondContact CB-O 3.46Å; H22-T30 PolarHBondContact N-O 3.14Å; G23-T30 PolarHBondContact N-O 3.28Å; G23-T30 VanDerWaalsContact N-O 3.12Å; G23-T30 PolarHBondContact O-N 3.43Å; T30-L61 HydrophobicContact CG2-CB 4.4Å; T30-L61 HydrophobicContact CG2-CD2 4.4Å; T30-A62 WeakPolarHBondContact CA-O 3.34Å
31	A	95.4	Very high	91.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	139.3	176.7	0	0	0	0	0	110.6	Y20 M34 L61 A62 V79	Y20-A31 CarbonylContact O-C 3.6Å; Y20-A31 WeakPolarHBondContact O-CA 3.44Å; A31-M34 HydrophobicContact CB-CG 3.78Å; A31-M34 HydrophobicContact CB-SD 4.25Å; A31-L61 CarbonylContact O-C 3.53Å; A31-L61 WeakPolarHBondContact O-CA 3.39Å; A31-A62 PolarHBondContact N-O 2.97Å; A31-A62 PolarHBondContact O-N 2.89Å; A31-V79 HydrophobicContact CB-CB 4.31Å; A31-V79 HydrophobicContact CB-CG1 4.38Å; A31-V79 HydrophobicContact CB-CG2 3.95Å
32	C	94.3	Very high	91.2	Very high	34 Å²	34	44.3 Å²	44.3	23%	0.23	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	168.5	171.9	61.7	0	0	0	0	111.4	G19 Y20 H22 M34 L61	G19-C32 CarbonylContact C-O 3.44Å; G19-C32 VanDerWaalsContact CA-O 3.25Å; G19-C32 WeakPolarHBondContact CA-O 3.42Å; Y20-C32 PolarHBondContact N-O 3.01Å; Y20-C32 PolarHBondContact O-N 3.07Å; Y20-C32 PolarHBondContact O-SG 3.39Å; Y20-C32 VanDerWaalsContact O-SG 3.4Å; H22-C32 HydrophobicContact CB-CB 4.27Å; C32-M34 VanDerWaalsContact C-N 3.31Å; C32-L61 HydrophobicContact CB-CD2 3.55Å
33	N	92.6	Very high	91	Very high	73 Å²	73	38.9 Å²	38.9	39%	0.39	26%	0.261	S	S	.	.	S	Bend	trans	59.3	42	-175	-162.6	44	0	0	0	112.5	V18 G19 Y20 D60	V18-N33 PolarHBondContact O-ND2 3.04Å; G19-N33 WeakPolarHBondContact CA-O 3.39Å; Y20-N33 HydrophobicContact CD2-CB 4.49Å; N33-D60 WeakPolarHBondContact CA-OD1 3.25Å; N33-D60 WeakPolarHBondContact CA-OD2 3.49Å; N33-D60 PolarHBondContact N-O 2.99Å; N33-D60 PolarHBondContact N-OD2 3.38Å
34	M	89.7	Confident	91	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.015	25%	0.252	C	S	.	.			trans	-106.1	18.8	-176.7	-68	-69.3	-73.6	0	0	112.4	A31 C32 G36 A37 V43 I54 D60 A62 V79 R81	A31-M34 HydrophobicContact CB-CG 3.78Å; A31-M34 HydrophobicContact CB-SD 4.25Å; C32-M34 VanDerWaalsContact C-N 3.31Å; M34-G36 PolarHBondContact O-N 3.46Å; M34-A37 HydrophobicContact CB-CB 4.49Å; M34-A37 HydrophobicContact CE-CB 4.32Å; M34-A37 WeakPolarHBondContact O-CB 3.34Å; M34-A37 PolarHBondContact O-N 3.26Å; M34-V43 HydrophobicContact CE-CG1 4.02Å; M34-I54 HydrophobicContact CE-CD1 3.81Å; M34-D60 PolarHBondContact N-O 3.39Å; M34-D60 PolarHBondContact N-OD1 2.95Å; M34-A62 HydrophobicContact CB-CB 3.66Å; M34-A62 HydrophobicContact CE-CB 4.26Å; M34-A62 HydrophobicContact CG-CB 3.83Å; M34-V79 HydrophobicContact CE-CG1 4.05Å; M34-V79 HydrophobicContact SD-CB 4.42Å; M34-V79 HydrophobicContact SD-CG1 4.19Å; M34-R81 HydrophobicContact CE-CG 3.61Å; M34-R81 PolarHBondContact O-NH1 2.93Å; M34-R81 HydrophobicContact SD-CG 4.12Å
35	A	87	Confident	91	Very high	64 Å²	64	35.5 Å²	35.5	53%	0.529	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	125.2	176.5	0	0	0	0	0	112.9	D60 R81	A35-D60 PolarHBondContact N-OD1 3.49Å; A35-R81 PolarHBondContact O-NH1 3.19Å; A35-R81 PolarHBondContact O-NH2 3.34Å
36	G	85.5	Confident	91.1	Very high	79 Å²	79	32 Å²	32	81%	0.814	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.1	6.9	-178.1	0	0	0	0	0	115	M34 R81	M34-G36 PolarHBondContact O-N 3.46Å; G36-R81 PolarHBondContact O-NH1 3.35Å
37	A	89.6	Confident	91.2	Very high	14 Å²	14	37.3 Å²	37.3	12%	0.116	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-77.4	146	173.1	0	0	0	0	0	110.5	M34 E41 I54 L57	M34-A37 HydrophobicContact CB-CB 4.49Å; M34-A37 HydrophobicContact CE-CB 4.32Å; M34-A37 WeakPolarHBondContact O-CB 3.34Å; M34-A37 PolarHBondContact O-N 3.26Å; A37-E41 WeakPolarHBondContact CA-OE2 3.44Å; A37-I54 HydrophobicContact CB-CD1 3.48Å; A37-I54 VanDerWaalsContact CB-CD1 3.48Å; A37-L57 HydrophobicContact CB-CD2 4.34Å; A37-L57 WeakPolarHBondContact O-CD1 3.46Å
38	A	91	Very high	91.2	Very high	53 Å²	53	39 Å²	39	44%	0.438	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-95.5	153	177.8	0	0	0	0	0	111.9	E41	A38-E41 HydrophobicContact CB-CB 4.25Å; A38-E41 PolarHBondContact N-OE2 3.33Å; A38-E41 WeakPolarHBondContact O-CB 3.4Å; A38-E41 PolarHBondContact O-N 2.89Å
39	M	91.6	Very high	91.1	Very high	114 Å²	114	39.8 Å²	39.8	56%	0.562	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	138.6	169.7	-168.9	-168	-72.3	0	0	109.7	E41	M39-E41 PolarHBondContact O-N 3.08Å
40	Y	90.1	Very high	91.1	Very high	78 Å²	78	40 Å²	40	31%	0.306	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	17.5	-174.9	-53	-60.7	0	0	0	115.3	E53 I54 P85 R381	Y40-E53 HydrophobicContact CD1-CG 4.5Å; Y40-I54 WeakPolarHBondContact CA-O 3.44Å; Y40-I54 PolarHBondContact N-O 3.21Å; Y40-P85 VanDerWaalsContact O-CA 3.31Å; Y40-P85 WeakPolarHBondContact O-CA 3.38Å; Y40-R381 PolarHBondContact OH-NH2 2.95Å
41	E	91.9	Very high	90.9	Very high	10 Å²	10	38.4 Å²	38.4	5%	0.047	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	141.9	172	-165.2	-170.6	146.1	0	0	110.9	A37 A38 M39 E53 I54 R81 T82 G83	A37-E41 WeakPolarHBondContact CA-OE2 3.44Å; A38-E41 HydrophobicContact CB-CB 4.25Å; A38-E41 PolarHBondContact N-OE2 3.33Å; A38-E41 WeakPolarHBondContact O-CB 3.4Å; A38-E41 PolarHBondContact O-N 2.89Å; M39-E41 PolarHBondContact O-N 3.08Å; E41-E53 WeakPolarHBondContact O-CA 3.44Å; E41-I54 HydrophobicContact CB-CD1 4.2Å; E41-I54 PolarHBondContact O-N 2.88Å; E41-R81 WeakPolarHBondContact OE1-CB 3.47Å; E41-T82 PolarHBondContact OE1-N 3.22Å; E41-G83 WeakPolarHBondContact OE1-CA 3.49Å; E41-G83 PolarHBondContact OE1-N 2.91Å
42	L	91.9	Very high	90.8	Very high	15 Å²	15	38.4 Å²	38.4	8%	0.079	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	137	175.4	-167.3	150.1	0	0	0	110.1	V51 G52 T82 K84 L86	L42-V51 HydrophobicContact CD1-CG1 3.81Å; L42-V51 HydrophobicContact CD2-CG1 3.99Å; L42-V51 HydrophobicContact CG-CG1 3.9Å; L42-G52 CarbonylContact C-O 3.59Å; L42-G52 WeakPolarHBondContact CA-O 3.45Å; L42-T82 HydrophobicContact CD2-CG2 3.72Å; L42-T82 WeakPolarHBondContact O-CB 3.48Å; L42-T82 WeakPolarHBondContact O-CG2 3.4Å; L42-T82 PolarHBondContact O-N 3Å; L42-T82 VanDerWaalsContact O-N 3.15Å; L42-T82 PolarHBondContact O-OG1 2.88Å; L42-K84 WeakPolarHBondContact CB-O 3.4Å; L42-K84 PolarHBondContact N-O 3.4Å; L42-L86 HydrophobicContact CD1-CB 4.37Å; L42-L86 HydrophobicContact CD1-CD1 3.73Å
43	V	92.5	Very high	90.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	159.1	179.3	-62.3	0	0	0	0	110.8	M34 V45 G52 I54 V64 V79 L80 R81	M34-V43 HydrophobicContact CE-CG1 4.02Å; V43-V45 HydrophobicContact CG2-CG2 3.96Å; V43-G52 PolarHBondContact N-O 3.16Å; V43-G52 PolarHBondContact O-N 3.44Å; V43-I54 HydrophobicContact CG1-CD1 3.73Å; V43-I54 HydrophobicContact CG1-CG1 3.77Å; V43-V64 HydrophobicContact CG2-CB 4.34Å; V43-V64 HydrophobicContact CG2-CG1 3.34Å; V43-V64 HydrophobicContact CG2-CG2 4.01Å; V43-V79 HydrophobicContact CB-CG1 4.03Å; V43-V79 HydrophobicContact CG2-CG1 4.23Å; V43-L80 CarbonylContact C-O 3.55Å; V43-L80 WeakPolarHBondContact CA-O 3.47Å; V43-L80 WeakPolarHBondContact CB-O 3.33Å; V43-R81 HydrophobicContact CG1-CG 4.26Å
44	R	92.5	Very high	90.7	Very high	13 Å²	13	33.4 Å²	33.4	5%	0.049	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	112.8	173.3	-61.8	-65.7	-172.6	154.2	-0.1	108.7	E49 L50 V51 V79 L80 N123	R44-E49 HydrophobicContact CB-CB 4.15Å; R44-E49 WeakPolarHBondContact CD-O 3.26Å; R44-E49 PolarHBondContact NH1-O 3.39Å; R44-L50 CarbonylContact C-O 3.58Å; R44-L50 WeakPolarHBondContact CA-O 3.49Å; R44-V51 VanDerWaalsContact NH1-CG2 3.29Å; R44-V79 CarbonylContact O-C 3.57Å; R44-V79 WeakPolarHBondContact O-CA 2.86Å; R44-L80 HydrophobicContact CB-CB 4.26Å; R44-L80 PolarHBondContact N-O 2.8Å; R44-L80 PolarHBondContact O-N 3.41Å; R44-N123 PolarHBondContact NH2-OD1 3.31Å
45	V	92.4	Very high	90.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	131.7	-173.2	-177.9	0	0	0	0	110.3	V21 V29 V43 L50 V64 V66 V73 V79	V21-V45 HydrophobicContact CG2-CG1 4.02Å; V29-V45 HydrophobicContact CG1-CG1 4.13Å; V29-V45 HydrophobicContact CG2-CG1 4.47Å; V43-V45 HydrophobicContact CG2-CG2 3.96Å; V45-L50 PolarHBondContact N-O 2.94Å; V45-L50 WeakPolarHBondContact O-CB 3.29Å; V45-L50 PolarHBondContact O-N 3.49Å; V45-V64 HydrophobicContact CG2-CG1 3.97Å; V45-V66 HydrophobicContact CG2-CG2 4.2Å; V45-V73 HydrophobicContact CG1-CG1 4.2Å; V45-V79 HydrophobicContact CG1-CG2 4.23Å; V45-V79 HydrophobicContact CG2-CG1 4.13Å; V45-V79 HydrophobicContact CG2-CG2 4.47Å
46	G	91.4	Very high	91	Very high	1 Å²	1	36 Å²	36	1%	0.01	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	170.4	173.4	0	0	0	0	0	114	I9 S48 E49 P78	I9-G46 WeakPolarHBondContact CD1-O 3.42Å; G46-S48 PolarHBondContact O-N 3.19Å; G46-E49 PolarHBondContact O-N 3.34Å; G46-P78 PolarHBondContact N-O 2.69Å
47	H	88.6	Confident	91.3	Very high	145 Å²	145	35.6 Å²	35.6	67%	0.671	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-23.9	176.5	-65	-55	0	0	0	113.8	E49 D77	H47-E49 VanDerWaalsContact C-N 3.29Å; H47-D77 IonicContact CD2-OD1 2.78Å; H47-D77 IonicContact NE2-OD1 3.64Å
48	S	87.4	Confident	91.4	Very high	68 Å²	68	39.8 Å²	39.8	48%	0.476	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	2.3	174.4	-55	0	0	0	0	113	G46 L50 G121	G46-S48 PolarHBondContact O-N 3.19Å; S48-L50 VanDerWaalsContact C-N 3.32Å; S48-L50 PolarHBondContact O-N 3.47Å; S48-G121 WeakPolarHBondContact O-CA 3.49Å
49	E	90.1	Very high	91.3	Very high	31 Å²	31	41.2 Å²	41.2	15%	0.145	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	45.4	177.6	-61.3	-175.8	169.6	0	0	113.8	K8 I9 R44 G46 H47 V51	K8-E49 WeakPolarHBondContact CA-OE1 3.45Å; K8-E49 WeakPolarHBondContact CB-OE1 3.29Å; I9-E49 HydrophobicContact CD1-CG 3.78Å; I9-E49 HydrophobicContact CG1-CG 4.08Å; I9-E49 PolarHBondContact N-OE1 2.94Å; R44-E49 HydrophobicContact CB-CB 4.15Å; R44-E49 WeakPolarHBondContact CD-O 3.26Å; R44-E49 PolarHBondContact NH1-O 3.39Å; G46-E49 PolarHBondContact O-N 3.34Å; H47-E49 VanDerWaalsContact C-N 3.29Å; E49-V51 PolarHBondContact O-N 3.27Å
50	L	92.4	Very high	91.3	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.021	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	133.9	178.5	-54.1	179.9	0	0	0	109.9	R44 V45 S48 G52 V66 E68 E69 V73 R120	R44-L50 CarbonylContact C-O 3.58Å; R44-L50 WeakPolarHBondContact CA-O 3.49Å; V45-L50 PolarHBondContact N-O 2.94Å; V45-L50 WeakPolarHBondContact O-CB 3.29Å; V45-L50 PolarHBondContact O-N 3.49Å; S48-L50 VanDerWaalsContact C-N 3.32Å; S48-L50 PolarHBondContact O-N 3.47Å; L50-G52 PolarHBondContact O-N 2.73Å; L50-V66 HydrophobicContact CB-CG1 3.85Å; L50-V66 HydrophobicContact CD1-CG1 4.25Å; L50-E68 HydrophobicContact CB-CB 4.41Å; L50-E68 HydrophobicContact CD2-CB 4.14Å; L50-E68 VanDerWaalsContact CD2-OE2 3.27Å; L50-E68 WeakPolarHBondContact CD2-OE2 3.41Å; L50-E69 WeakPolarHBondContact CD1-O 3.5Å; L50-V73 HydrophobicContact CD1-CG2 3.6Å; L50-R120 HydrophobicContact CD2-CB 4.09Å
51	V	91.7	Very high	91.4	Very high	8 Å²	8	38.3 Å²	38.3	5%	0.048	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	126	179	-170.6	0	0	0	0	109.5	L42 R44 E49 Y67 I102	L42-V51 HydrophobicContact CD1-CG1 3.81Å; L42-V51 HydrophobicContact CD2-CG1 3.99Å; L42-V51 HydrophobicContact CG-CG1 3.9Å; R44-V51 VanDerWaalsContact NH1-CG2 3.29Å; E49-V51 PolarHBondContact O-N 3.27Å; V51-Y67 HydrophobicContact CB-CD2 4.39Å; V51-Y67 HydrophobicContact CG1-CD2 3.84Å; V51-Y67 PolarHBondContact O-N 3.47Å; V51-I102 HydrophobicContact CB-CD1 4.36Å; V51-I102 HydrophobicContact CG2-CD1 3.99Å
52	G	91.8	Very high	91.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	167.3	171.6	0	0	0	0	0	112.9	L42 V43 L50 Q65	L42-G52 CarbonylContact C-O 3.59Å; L42-G52 WeakPolarHBondContact CA-O 3.45Å; V43-G52 PolarHBondContact N-O 3.16Å; V43-G52 PolarHBondContact O-N 3.44Å; L50-G52 PolarHBondContact O-N 2.73Å; G52-Q65 CarbonylContact C-O 3.57Å; G52-Q65 WeakPolarHBondContact CA-O 3.48Å
53	E	92.4	Very high	91.7	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	134.3	177.7	-175	-177.7	-145.2	0	0	109.9	Y40 E41 V64 Q65 Y67 R212	Y40-E53 HydrophobicContact CD1-CG 4.5Å; E41-E53 WeakPolarHBondContact O-CA 3.44Å; E53-V64 CarbonylContact O-C 3.57Å; E53-V64 WeakPolarHBondContact O-CA 3.35Å; E53-Q65 PolarHBondContact N-O 3.37Å; E53-Q65 PolarHBondContact O-N 3.26Å; E53-Y67 HydrophobicContact CB-CE2 3.82Å; E53-Y67 WeakPolarHBondContact CB-OH 3.47Å; E53-Y67 PolarHBondContact OE2-OH 2.68Å; E53-R212 IonicContact OE1-CZ 3.63Å; E53-R212 IonicContact OE1-NE 3.8Å; E53-R212 PolarHBondContact OE1-NE 3.12Å; E53-R212 IonicContact OE1-NH2 2.71Å; E53-R212 PolarHBondContact OE1-NH2 3.41Å; E53-R212 IonicContact OE2-CZ 3.91Å; E53-R212 IonicContact OE2-NE 3.6Å; E53-R212 IonicContact OE2-NH2 3.88Å; E53-R212 PolarHBondContact OE2-NH2 2.68Å
54	I	93.4	Very high	91.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	126.6	176.8	-60.3	178.4	0	0	0	109.7	M34 A37 Y40 E41 V43 L57 A62 V64	M34-I54 HydrophobicContact CE-CD1 3.81Å; A37-I54 HydrophobicContact CB-CD1 3.48Å; A37-I54 VanDerWaalsContact CB-CD1 3.48Å; Y40-I54 WeakPolarHBondContact CA-O 3.44Å; Y40-I54 PolarHBondContact N-O 3.21Å; E41-I54 HydrophobicContact CB-CD1 4.2Å; E41-I54 PolarHBondContact O-N 2.88Å; V43-I54 HydrophobicContact CG1-CD1 3.73Å; V43-I54 HydrophobicContact CG1-CG1 3.77Å; I54-L57 HydrophobicContact CG2-CD2 3.84Å; I54-L57 HydrophobicContact CG2-CG 3.99Å; I54-A62 HydrophobicContact CG2-CB 4.28Å; I54-V64 HydrophobicContact CG1-CG2 4.19Å
55	I	91.1	Very high	91.7	Very high	28 Å²	28	37.1 Å²	37.1	14%	0.144	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	-25.5	-176.8	51.2	165.7	0	0	0	113.6	T63 Q65 L365	I55-T63 HydrophobicContact CD1-CG2 4.11Å; I55-T63 HydrophobicContact CG1-CG2 4.11Å; I55-T63 WeakPolarHBondContact CG1-O 3.41Å; I55-T63 PolarHBondContact N-O 3.45Å; I55-Q65 HydrophobicContact CD1-CB 4.05Å; I55-Q65 HydrophobicContact CG1-CB 4.37Å; I55-Q65 HydrophobicContact CG2-CB 4.09Å; I55-L365 HydrophobicContact CD1-CD1 3.8Å; I55-L365 HydrophobicContact CD1-CD2 3.47Å; I55-L365 VanDerWaalsContact CD1-CD2 3.47Å; I55-L365 HydrophobicContact CD1-CG 4.1Å; I55-L365 HydrophobicContact CG1-CD2 4.49Å
56	R	90.9	Very high	91.7	Very high	95 Å²	95	37.1 Å²	37.1	36%	0.358	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	145.2	177.3	-161.6	174.1	77.3	-172.5	13.9	110.4	E58 A62 T63	R56-E58 IonicContact CZ-OE1 2.62Å; R56-E58 IonicContact CZ-OE2 2.7Å; R56-E58 IonicContact NE-OE1 3.56Å; R56-E58 PolarHBondContact NE-OE1 3.23Å; R56-E58 IonicContact NE-OE2 2.71Å; R56-E58 IonicContact NH1-OE1 3.24Å; R56-E58 VanDerWaalsContact NH2-CD 3.27Å; R56-E58 IonicContact NH2-OE1 2.88Å; R56-E58 PolarHBondContact NH2-OE1 3.24Å; R56-E58 IonicContact NH2-OE2 3.62Å; R56-E58 PolarHBondContact NH2-OE2 3.4Å; R56-A62 WeakPolarHBondContact O-CA 3.19Å; R56-T63 PolarHBondContact N-O 2.95Å; R56-T63 PolarHBondContact O-N 3.35Å
57	L	92.6	Very high	91.7	Very high	69 Å²	69	37.3 Å²	37.3	36%	0.361	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	123.8	177.3	-68.4	165.2	0	0	0	108.5	A37 I54 A62	A37-L57 HydrophobicContact CB-CD2 4.34Å; A37-L57 WeakPolarHBondContact O-CD1 3.46Å; I54-L57 HydrophobicContact CG2-CD2 3.84Å; I54-L57 HydrophobicContact CG2-CG 3.99Å; L57-A62 HydrophobicContact CD2-CB 3.66Å
58	E	91.9	Very high	91.7	Very high	102 Å²	102	31 Å²	31	48%	0.477	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	91.3	179.2	-74.4	177.3	168.6	0	0	109.2	R56 D60 L61	R56-E58 IonicContact CZ-OE1 2.62Å; R56-E58 IonicContact CZ-OE2 2.7Å; R56-E58 IonicContact NE-OE1 3.56Å; R56-E58 PolarHBondContact NE-OE1 3.23Å; R56-E58 IonicContact NE-OE2 2.71Å; R56-E58 IonicContact NH1-OE1 3.24Å; R56-E58 VanDerWaalsContact NH2-CD 3.27Å; R56-E58 IonicContact NH2-OE1 2.88Å; R56-E58 PolarHBondContact NH2-OE1 3.24Å; R56-E58 IonicContact NH2-OE2 3.62Å; R56-E58 PolarHBondContact NH2-OE2 3.4Å; E58-D60 PolarHBondContact O-N 3.23Å; E58-D60 VanDerWaalsContact O-N 3.11Å; E58-L61 PolarHBondContact N-O 3.48Å; E58-L61 PolarHBondContact O-N 3.49Å
59	G	89.9	Confident	91.8	Very high	84 Å²	84	33.1 Å²	33.1	87%	0.866	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.6	-112	-174.1	0	0	0	0	0	111.2
60	D	90.6	Very high	91.8	Very high	70 Å²	70	32.6 Å²	32.6	37%	0.374	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-2.5	178	-172.5	45.7	0	0	0	113.4	N33 M34 A35 E58	N33-D60 WeakPolarHBondContact CA-OD1 3.25Å; N33-D60 WeakPolarHBondContact CA-OD2 3.49Å; N33-D60 PolarHBondContact N-O 2.99Å; N33-D60 PolarHBondContact N-OD2 3.38Å; M34-D60 PolarHBondContact N-O 3.39Å; M34-D60 PolarHBondContact N-OD1 2.95Å; A35-D60 PolarHBondContact N-OD1 3.49Å; E58-D60 PolarHBondContact O-N 3.23Å; E58-D60 VanDerWaalsContact O-N 3.11Å
61	L	93.1	Very high	91.6	Very high	60 Å²	60	36.3 Å²	36.3	31%	0.314	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	132.5	174.3	-62.1	177.7	0	0	0	110.4	T30 A31 C32 E58	T30-L61 HydrophobicContact CG2-CB 4.4Å; T30-L61 HydrophobicContact CG2-CD2 4.4Å; A31-L61 CarbonylContact O-C 3.53Å; A31-L61 WeakPolarHBondContact O-CA 3.39Å; C32-L61 HydrophobicContact CB-CD2 3.55Å; E58-L61 PolarHBondContact N-O 3.48Å; E58-L61 PolarHBondContact O-N 3.49Å
62	A	94.5	Very high	91.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	128.1	171.1	0	0	0	0	0	110.1	T30 A31 M34 I54 R56 L57	T30-A62 WeakPolarHBondContact CA-O 3.34Å; A31-A62 PolarHBondContact N-O 2.97Å; A31-A62 PolarHBondContact O-N 2.89Å; M34-A62 HydrophobicContact CB-CB 3.66Å; M34-A62 HydrophobicContact CE-CB 4.26Å; M34-A62 HydrophobicContact CG-CB 3.83Å; I54-A62 HydrophobicContact CG2-CB 4.28Å; R56-A62 WeakPolarHBondContact O-CA 3.19Å; L57-A62 HydrophobicContact CD2-CB 3.66Å
63	T	93.9	Very high	91.5	Very high	8 Å²	8	40.1 Å²	40.1	5%	0.049	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	118.1	168.4	-51.1	0	0	0	0	108.5	V28 I55 R56 L365	V28-T63 HydrophobicContact CG1-CG2 3.3Å; I55-T63 HydrophobicContact CD1-CG2 4.11Å; I55-T63 HydrophobicContact CG1-CG2 4.11Å; I55-T63 WeakPolarHBondContact CG1-O 3.41Å; I55-T63 PolarHBondContact N-O 3.45Å; R56-T63 PolarHBondContact N-O 2.95Å; R56-T63 PolarHBondContact O-N 3.35Å; T63-L365 HydrophobicContact CG2-CD2 3.97Å
64	V	93.9	Very high	91.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	131.3	-178.1	-177.8	0	0	0	0	109.2	V28 V29 V43 V45 E53 I54 V66	V28-V64 WeakPolarHBondContact CA-O 3.42Å; V29-V64 HydrophobicContact CB-CB 4.47Å; V29-V64 PolarHBondContact N-O 3.34Å; V29-V64 WeakPolarHBondContact O-CA 3.46Å; V29-V64 WeakPolarHBondContact O-CB 3.25Å; V29-V64 PolarHBondContact O-N 2.97Å; V43-V64 HydrophobicContact CG2-CB 4.34Å; V43-V64 HydrophobicContact CG2-CG1 3.34Å; V43-V64 HydrophobicContact CG2-CG2 4.01Å; V45-V64 HydrophobicContact CG2-CG1 3.97Å; E53-V64 CarbonylContact O-C 3.57Å; E53-V64 WeakPolarHBondContact O-CA 3.35Å; I54-V64 HydrophobicContact CG1-CG2 4.19Å; V64-V66 HydrophobicContact CG1-CG2 4.38Å
65	Q	92.3	Very high	91.7	Very high	6 Å²	6	48.1 Å²	48.1	3%	0.028	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	119.8	168.9	-178.8	178.2	-7.9	0	0	109.3	G52 E53 I55 A321	G52-Q65 CarbonylContact C-O 3.57Å; G52-Q65 WeakPolarHBondContact CA-O 3.48Å; E53-Q65 PolarHBondContact N-O 3.37Å; E53-Q65 PolarHBondContact O-N 3.26Å; I55-Q65 HydrophobicContact CD1-CB 4.05Å; I55-Q65 HydrophobicContact CG1-CB 4.37Å; I55-Q65 HydrophobicContact CG2-CB 4.09Å; Q65-A321 HydrophobicContact CG-CB 3.76Å
66	V	92.6	Very high	91.7	Very high	0 Å²	0	49 Å²	49	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	132.2	-178.4	-173.5	0	0	0	0	109.9	P27 V29 V45 L50 V64 E68 T70	P27-V66 PolarHBondContact O-N 3.41Å; V29-V66 HydrophobicContact CB-CG2 4.22Å; V29-V66 HydrophobicContact CG2-CG2 3.59Å; V45-V66 HydrophobicContact CG2-CG2 4.2Å; L50-V66 HydrophobicContact CB-CG1 3.85Å; L50-V66 HydrophobicContact CD1-CG1 4.25Å; V64-V66 HydrophobicContact CG1-CG2 4.38Å; V66-E68 HydrophobicContact CG1-CB 4.33Å; V66-E68 PolarHBondContact O-N 3.07Å; V66-T70 HydrophobicContact CB-CG2 3.66Å; V66-T70 HydrophobicContact CG1-CG2 3.96Å; V66-T70 HydrophobicContact CG2-CG2 3.81Å
67	Y	90.2	Very high	91.8	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.016	30%	0.297	C	S	.	.	S	Bend	trans	-82.9	-0.1	178.6	-64.4	-59.8	0	0	0	113.8	V51 E53 L86 I102 P319 A321 A325	V51-Y67 HydrophobicContact CB-CD2 4.39Å; V51-Y67 HydrophobicContact CG1-CD2 3.84Å; V51-Y67 PolarHBondContact O-N 3.47Å; E53-Y67 HydrophobicContact CB-CE2 3.82Å; E53-Y67 WeakPolarHBondContact CB-OH 3.47Å; E53-Y67 PolarHBondContact OE2-OH 2.68Å; Y67-L86 HydrophobicContact CE2-CD2 4.27Å; Y67-I102 HydrophobicContact CD2-CG2 4.14Å; Y67-I102 HydrophobicContact CG-CG2 4.11Å; Y67-P319 VanDerWaalsContact O-CB 3.26Å; Y67-P319 WeakPolarHBondContact O-CB 3.49Å; Y67-P319 VanDerWaalsContact O-CG 3.26Å; Y67-P319 WeakPolarHBondContact O-CG 3.28Å; Y67-A321 VanDerWaalsContact CD1-C 3.46Å; Y67-A321 HydrophobicContact CD1-CB 3.34Å; Y67-A321 HydrophobicContact CE1-CB 3.81Å; Y67-A321 WeakPolarHBondContact CE1-O 3.48Å; Y67-A321 HydrophobicContact CG-CB 4.34Å; Y67-A325 HydrophobicContact CD1-CB 4.48Å; Y67-A325 HydrophobicContact CE1-CB 4.11Å
68	E	89.6	Confident	91.8	Very high	13 Å²	13	42.6 Å²	42.6	6%	0.061	28%	0.284	C	S	.	.	S	Bend	trans	-124.9	170.5	179.2	-66.1	-168.5	-162.8	0	0	111	L50 V66 T70 R104 G121	L50-E68 HydrophobicContact CB-CB 4.41Å; L50-E68 HydrophobicContact CD2-CB 4.14Å; L50-E68 VanDerWaalsContact CD2-OE2 3.27Å; L50-E68 WeakPolarHBondContact CD2-OE2 3.41Å; V66-E68 HydrophobicContact CG1-CB 4.33Å; V66-E68 PolarHBondContact O-N 3.07Å; E68-T70 PolarHBondContact O-N 3.47Å; E68-R104 IonicContact OE1-CZ 3.71Å; E68-R104 IonicContact OE1-NH1 2.73Å; E68-R104 PolarHBondContact OE1-NH1 3.42Å; E68-R104 IonicContact OE1-NH2 3.89Å; E68-G121 PolarHBondContact OE2-N 3.3Å
69	E	88.3	Confident	91.9	Very high	113 Å²	113	37.8 Å²	37.8	53%	0.528	26%	0.261	S	S	.	.			trans	-68	125.2	173.2	-69.1	-173.1	172.9	0	0	111.3	L50 S71	L50-E69 WeakPolarHBondContact CD1-O 3.5Å; E69-S71 PolarHBondContact O-N 3.35Å
70	T	90.3	Very high	92	Very high	20 Å²	20	33.8 Å²	33.8	12%	0.123	22%	0.22	C	C	.	.			trans	-82.3	3.8	179.5	53.7	0	0	0	0	113.8	G26 V29 V66 E68 G72 V73	G26-T70 PolarHBondContact O-OG1 3.15Å; V29-T70 HydrophobicContact CG2-CG2 3.92Å; V66-T70 HydrophobicContact CB-CG2 3.66Å; V66-T70 HydrophobicContact CG1-CG2 3.96Å; V66-T70 HydrophobicContact CG2-CG2 3.81Å; E68-T70 PolarHBondContact O-N 3.47Å; T70-G72 PolarHBondContact O-N 2.99Å; T70-V73 WeakPolarHBondContact O-CB 3.41Å; T70-V73 WeakPolarHBondContact O-CG2 3.46Å; T70-V73 PolarHBondContact O-N 3.4Å; T70-V73 VanDerWaalsContact O-N 3.09Å
71	S	89.7	Confident	91.9	Very high	82 Å²	82	31.5 Å²	31.5	57%	0.573	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	122.1	179.8	-178.2	0	0	0	0	110.8	E69 R120	E69-S71 PolarHBondContact O-N 3.35Å; S71-R120 PolarHBondContact O-NH1 2.98Å
72	G	87.9	Confident	91.6	Very high	68 Å²	68	29.9 Å²	29.9	70%	0.701	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.1	0.2	-178.2	0	0	0	0	0	115.3	T70	T70-G72 PolarHBondContact O-N 2.99Å
73	V	93	Very high	91.2	Very high	19 Å²	19	32.7 Å²	32.7	12%	0.115	23%	0.228	C	C	.	.			trans	-72.3	137.4	162.5	-176.8	0	0	0	0	108.3	V21 I24 V45 L50 T70 D77	V21-V73 HydrophobicContact CG2-CG1 4.11Å; I24-V73 VanDerWaalsContact CD1-C 3.48Å; I24-V73 HydrophobicContact CD1-CB 3.86Å; I24-V73 HydrophobicContact CD1-CG1 3.71Å; I24-V73 WeakPolarHBondContact CD1-O 3.46Å; I24-V73 HydrophobicContact CG1-CG1 4.4Å; V45-V73 HydrophobicContact CG1-CG1 4.2Å; L50-V73 HydrophobicContact CD1-CG2 3.6Å; T70-V73 WeakPolarHBondContact O-CB 3.41Å; T70-V73 WeakPolarHBondContact O-CG2 3.46Å; T70-V73 PolarHBondContact O-N 3.4Å; T70-V73 VanDerWaalsContact O-N 3.09Å; V73-D77 WeakPolarHBondContact CA-OD2 3.36Å; V73-D77 HydrophobicContact CG1-CB 4.32Å; V73-D77 WeakPolarHBondContact CG1-OD2 3.43Å
74	S	94.1	Very high	90.9	Very high	69 Å²	69	36.5 Å²	36.5	48%	0.483	24%	0.244	S	C	.	.			trans	-117.9	160.6	-179.1	-63.4	0	0	0	0	112.2	D77	S74-D77 PolarHBondContact N-OD2 2.71Å; S74-D77 VanDerWaalsContact O-CB 3.26Å; S74-D77 WeakPolarHBondContact O-CB 3.12Å; S74-D77 VanDerWaalsContact O-CG 3.25Å; S74-D77 PolarHBondContact O-N 3.16Å
75	V	94.6	Very high	90.8	Very high	101 Å²	101	39.3 Å²	39.3	61%	0.612	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	134.4	171.6	178.8	0	0	0	0	109	V21	V21-V75 WeakPolarHBondContact O-CG1 3.47Å
76	G	91.5	Very high	90.8	Very high	45 Å²	45	39.5 Å²	39.5	46%	0.464	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.3	-5.5	-173.6	0	0	0	0	0	114.4	V21	V21-G76 PolarHBondContact O-N 3.46Å
77	D	93.9	Very high	90.8	Very high	16 Å²	16	40.3 Å²	40.3	9%	0.086	27%	0.269	C	S	.	.			trans	-61.9	143.4	173.3	-81	5.7	0	0	0	111.2	Y20 V21 H47 V73 S74	Y20-D77 CarbonylContact C-O 3.57Å; Y20-D77 WeakPolarHBondContact CA-O 3.24Å; V21-D77 HydrophobicContact CB-CB 4.29Å; V21-D77 HydrophobicContact CG2-CB 3.92Å; V21-D77 WeakPolarHBondContact CG2-O 3.13Å; V21-D77 PolarHBondContact N-O 3.29Å; H47-D77 IonicContact CD2-OD1 2.78Å; H47-D77 IonicContact NE2-OD1 3.64Å; V73-D77 WeakPolarHBondContact CA-OD2 3.36Å; V73-D77 HydrophobicContact CG1-CB 4.32Å; V73-D77 WeakPolarHBondContact CG1-OD2 3.43Å; S74-D77 PolarHBondContact N-OD2 2.71Å; S74-D77 VanDerWaalsContact O-CB 3.26Å; S74-D77 WeakPolarHBondContact O-CB 3.12Å; S74-D77 VanDerWaalsContact O-CG 3.25Å; S74-D77 PolarHBondContact O-N 3.16Å
78	P	93.1	Very high	91.1	Very high	15 Å²	15	40.1 Å²	40.1	10%	0.097	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	145.4	179.2	27.4	-34.6	0	0	0	112.5	I9 V18 G46	I9-P78 HydrophobicContact CD1-CB 4.28Å; I9-P78 HydrophobicContact CD1-CG 3.88Å; I9-P78 HydrophobicContact CG2-CB 4.17Å; I9-P78 HydrophobicContact CG2-CG 4.06Å; V18-P78 HydrophobicContact CG1-CB 3.95Å; G46-P78 PolarHBondContact N-O 2.69Å
79	V	93.6	Very high	91.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	109	173.2	-177.5	0	0	0	0	109.2	G19 V21 A31 M34 V43 R44 V45	G19-V79 PolarHBondContact N-O 3.21Å; G19-V79 PolarHBondContact O-N 3.44Å; V21-V79 HydrophobicContact CG2-CG2 3.6Å; A31-V79 HydrophobicContact CB-CB 4.31Å; A31-V79 HydrophobicContact CB-CG1 4.38Å; A31-V79 HydrophobicContact CB-CG2 3.95Å; M34-V79 HydrophobicContact CE-CG1 4.05Å; M34-V79 HydrophobicContact SD-CB 4.42Å; M34-V79 HydrophobicContact SD-CG1 4.19Å; V43-V79 HydrophobicContact CB-CG1 4.03Å; V43-V79 HydrophobicContact CG2-CG1 4.23Å; R44-V79 CarbonylContact O-C 3.57Å; R44-V79 WeakPolarHBondContact O-CA 2.86Å; V45-V79 HydrophobicContact CG1-CG2 4.23Å; V45-V79 HydrophobicContact CG2-CG1 4.13Å; V45-V79 HydrophobicContact CG2-CG2 4.47Å
80	L	91.1	Very high	91.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	133.4	-178.6	178.5	68.7	0	0	0	111.4	P7 I9 E12 F17 V18 V43 R44	P7-L80 HydrophobicContact CB-CD2 4.29Å; P7-L80 HydrophobicContact CG-CD2 4.32Å; P7-L80 WeakPolarHBondContact O-CD2 3.46Å; I9-L80 HydrophobicContact CG1-CB 4.09Å; I9-L80 HydrophobicContact CG1-CD2 4.28Å; E12-L80 HydrophobicContact CB-CD1 4.2Å; E12-L80 HydrophobicContact CG-CD1 4.11Å; F17-L80 HydrophobicContact CB-CD1 4.46Å; V18-L80 HydrophobicContact CG2-CD1 4.15Å; V43-L80 CarbonylContact C-O 3.55Å; V43-L80 WeakPolarHBondContact CA-O 3.47Å; V43-L80 WeakPolarHBondContact CB-O 3.33Å; R44-L80 HydrophobicContact CB-CB 4.26Å; R44-L80 PolarHBondContact N-O 2.8Å; R44-L80 PolarHBondContact O-N 3.41Å
81	R	89.5	Confident	91.9	Very high	22 Å²	22	33.2 Å²	33.2	8%	0.083	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	136	178.5	-65.8	-174	-62.5	172.1	-3.5	111.7	A16 F17 M34 A35 G36 E41 V43	A16-R81 PolarHBondContact O-NH2 3.04Å; F17-R81 PolarHBondContact O-N 3.21Å; F17-R81 PolarHBondContact O-NE 3.04Å; M34-R81 HydrophobicContact CE-CG 3.61Å; M34-R81 PolarHBondContact O-NH1 2.93Å; M34-R81 HydrophobicContact SD-CG 4.12Å; A35-R81 PolarHBondContact O-NH1 3.19Å; A35-R81 PolarHBondContact O-NH2 3.34Å; G36-R81 PolarHBondContact O-NH1 3.35Å; E41-R81 WeakPolarHBondContact OE1-CB 3.47Å; V43-R81 HydrophobicContact CG1-CG 4.26Å
82	T	85.9	Confident	92.2	Very high	26 Å²	26	29.3 Å²	29.3	16%	0.16	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-12.8	-179.3	69.3	0	0	0	0	113.9	L6 E41 L42 K84	L6-T82 HydrophobicContact CD2-CG2 4.43Å; E41-T82 PolarHBondContact OE1-N 3.22Å; L42-T82 HydrophobicContact CD2-CG2 3.72Å; L42-T82 WeakPolarHBondContact O-CB 3.48Å; L42-T82 WeakPolarHBondContact O-CG2 3.4Å; L42-T82 PolarHBondContact O-N 3Å; L42-T82 VanDerWaalsContact O-N 3.15Å; L42-T82 PolarHBondContact O-OG1 2.88Å; T82-K84 PolarHBondContact O-N 3.13Å; T82-K84 PolarHBondContact OG1-O 3.01Å
83	G	86.1	Confident	92.4	Very high	59 Å²	59	27.2 Å²	27.2	61%	0.608	19%	0.186	S	C	*	.	E	Extended strand (participates in β ladder)	trans	69.6	6.3	-176.8	0	0	0	0	0	114.5	E41	E41-G83 WeakPolarHBondContact OE1-CA 3.49Å; E41-G83 PolarHBondContact OE1-N 2.91Å
84	K	87.4	Confident	92.5	Very high	89 Å²	89	26.3 Å²	26.3	39%	0.387	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	146.5	-173.6	-65.6	178.8	-175.1	173	0	111	M1 L42 T82	M1-K84 PolarHBondContact SD-NZ 3.18Å; L42-K84 WeakPolarHBondContact CB-O 3.4Å; L42-K84 PolarHBondContact N-O 3.4Å; T82-K84 PolarHBondContact O-N 3.13Å; T82-K84 PolarHBondContact OG1-O 3.01Å
85	P	92.6	Very high	92.5	Very high	58 Å²	58	23.7 Å²	23.7	38%	0.377	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	166.7	173.2	32.5	-36.4	0	0	0	111.5	Y40 S87 P210	Y40-P85 VanDerWaalsContact O-CA 3.31Å; Y40-P85 WeakPolarHBondContact O-CA 3.38Å; P85-S87 PolarHBondContact O-N 3.48Å; P85-S87 VanDerWaalsContact O-N 3.07Å; P85-S87 PolarHBondContact O-OG 3.5Å; P85-P210 HydrophobicContact CG-CB 3.89Å; P85-P210 HydrophobicContact CG-CG 3.98Å
86	L	91.4	Very high	92.4	Very high	10 Å²	10	20.3 Å²	20.3	5%	0.052	15%	0.146	C	C	.	.	S	Bend	trans	-52.7	118.9	170.6	179.7	65	0	0	0	110	L42 Y67 P210 V211 A325	L42-L86 HydrophobicContact CD1-CB 4.37Å; L42-L86 HydrophobicContact CD1-CD1 3.73Å; Y67-L86 HydrophobicContact CE2-CD2 4.27Å; L86-P210 WeakPolarHBondContact O-CA 3.49Å; L86-V211 HydrophobicContact CB-CG2 4.19Å; L86-V211 HydrophobicContact CD2-CG2 3.74Å; L86-V211 HydrophobicContact CG-CG2 3.84Å; L86-V211 PolarHBondContact O-N 3.36Å; L86-A325 HydrophobicContact CD2-CB 3.88Å
87	S	93.1	Very high	92.5	Very high	17 Å²	17	19.2 Å²	19.2	12%	0.119	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	150.5	-173.3	-56	0	0	0	0	110.3	P85 W209	P85-S87 PolarHBondContact O-N 3.48Å; P85-S87 VanDerWaalsContact O-N 3.07Å; P85-S87 PolarHBondContact O-OG 3.5Å; S87-W209 CarbonylContact C-O 3.59Å; S87-W209 VanDerWaalsContact CA-O 3.24Å; S87-W209 WeakPolarHBondContact CA-O 3.4Å; S87-W209 WeakPolarHBondContact CB-O 3.32Å
88	V	95.4	Very high	92.5	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.006	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	148.1	-179	-71.2	0	0	0	0	111	L90 Q103 I208 W209 V211 T329 T332	V88-L90 HydrophobicContact CG2-CD2 3.95Å; V88-L90 HydrophobicContact CG2-CG 4.31Å; V88-Q103 HydrophobicContact CG1-CB 4.16Å; V88-Q103 HydrophobicContact CG1-CG 4.4Å; V88-I208 WeakPolarHBondContact O-CA 3.3Å; V88-W209 PolarHBondContact N-O 2.79Å; V88-W209 PolarHBondContact O-N 3.12Å; V88-V211 HydrophobicContact CB-CG1 4.15Å; V88-V211 HydrophobicContact CG1-CG1 3.33Å; V88-V211 HydrophobicContact CG2-CG1 3.88Å; V88-T329 HydrophobicContact CG1-CG2 3.9Å; V88-T332 HydrophobicContact CG2-CG2 3.56Å
89	E	95.6	Very high	92.6	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	126.9	169	-63.7	-166.8	144.1	0	0	110.1	F3 Q103 A126 L127 R129	F3-E89 HydrophobicContact CD2-CG 3.68Å; F3-E89 VanDerWaalsContact CD2-OE1 3.22Å; F3-E89 WeakPolarHBondContact CD2-OE1 3.46Å; F3-E89 HydrophobicContact CE2-CG 3.37Å; E89-Q103 PolarHBondContact O-NE2 2.98Å; E89-A126 HydrophobicContact CB-CB 4.08Å; E89-A126 HydrophobicContact CG-CB 4.15Å; E89-L127 HydrophobicContact CB-CD1 4.11Å; E89-L127 HydrophobicContact CB-CG 4.24Å; E89-L127 PolarHBondContact OE2-N 2.9Å; E89-L127 VanDerWaalsContact OE2-N 3.15Å; E89-R129 IonicContact OE1-CZ 2.75Å; E89-R129 IonicContact OE1-NH2 3.36Å; E89-R129 PolarHBondContact OE1-NH2 3.46Å; E89-R129 IonicContact OE2-NH2 2.81Å
90	L	96.1	Very high	92.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	120.9	177.5	-55.1	174.5	0	0	0	108.3	V88 V206 Q207 W209 L333 Y336	V88-L90 HydrophobicContact CG2-CD2 3.95Å; V88-L90 HydrophobicContact CG2-CG 4.31Å; L90-V206 CarbonylContact O-C 3.55Å; L90-V206 WeakPolarHBondContact O-CA 3.5Å; L90-Q207 HydrophobicContact CB-CG 3.73Å; L90-Q207 HydrophobicContact CD1-CG 4.26Å; L90-Q207 HydrophobicContact CG-CG 4.48Å; L90-Q207 PolarHBondContact N-O 3.16Å; L90-Q207 PolarHBondContact O-N 3.25Å; L90-W209 HydrophobicContact CD1-CB 3.63Å; L90-W209 HydrophobicContact CD1-CG 4.42Å; L90-W209 HydrophobicContact CG-CB 4.49Å; L90-L333 HydrophobicContact CD2-CD2 3.72Å; L90-Y336 HydrophobicContact CB-CD1 4.03Å; L90-Y336 HydrophobicContact CB-CD2 3.81Å; L90-Y336 HydrophobicContact CB-CE1 4Å; L90-Y336 HydrophobicContact CB-CE2 3.8Å; L90-Y336 HydrophobicContact CB-CG 3.92Å; L90-Y336 HydrophobicContact CD1-CD2 3.75Å; L90-Y336 HydrophobicContact CD1-CE2 4.45Å; L90-Y336 HydrophobicContact CD1-CG 3.92Å; L90-Y336 HydrophobicContact CD2-CD1 4.1Å; L90-Y336 HydrophobicContact CD2-CG 3.91Å; L90-Y336 HydrophobicContact CG-CD2 4.24Å; L90-Y336 HydrophobicContact CG-CG 4.14Å
91	G	94.4	Very high	92.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	172.8	-174.7	-176.4	0	0	0	0	0	112	I94 H164	G91-I94 VanDerWaalsContact O-CD1 3.22Å; G91-I94 WeakPolarHBondContact O-CD1 3.42Å; G91-I94 WeakPolarHBondContact O-CG1 3.46Å; G91-H164 PolarHBondContact O-CE1 3.4Å
92	P	94.9	Very high	92.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	14%	0.135	C	C	.	.	S	Bend	trans	-67.4	145.2	178.6	28.9	-34.4	0	0	0	111.6	W133 V156 T187 M205	P92-W133 HydrophobicContact CB-CD2 4.01Å; P92-W133 HydrophobicContact CB-CG 4.19Å; P92-W133 HydrophobicContact CB-CZ2 4.44Å; P92-W133 HydrophobicContact CG-CG 4.2Å; P92-V156 HydrophobicContact CB-CG1 4.02Å; P92-T187 HydrophobicContact CG-CG2 4.31Å; P92-M205 HydrophobicContact CG-CB 4.3Å; P92-M205 HydrophobicContact CG-SD 4.18Å
93	G	92.9	Very high	92.9	Very high	24 Å²	24	18.6 Å²	18.6	25%	0.247	13%	0.129	C	C	.	.	S	Bend	trans	101.9	13.9	-176.2	0	0	0	0	0	114.5	E158	G93-E158 VanDerWaalsContact CA-OE1 3.3Å; G93-E158 WeakPolarHBondContact CA-OE1 3.28Å; G93-E158 PolarHBondContact N-OE1 3.28Å
94	I	95.5	Very high	93.3	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.104	C	C	.	.			trans	-91.2	-35.5	177.2	-67.6	172.4	0	0	0	110.6	G91 G96 A97 F99 L127 E158 A310 L333 Y336 F337	G91-I94 VanDerWaalsContact O-CD1 3.22Å; G91-I94 WeakPolarHBondContact O-CD1 3.42Å; G91-I94 WeakPolarHBondContact O-CG1 3.46Å; I94-G96 PolarHBondContact O-N 3.48Å; I94-A97 WeakPolarHBondContact O-CB 3.24Å; I94-A97 PolarHBondContact O-N 3.02Å; I94-A97 VanDerWaalsContact O-N 3.14Å; I94-F99 HydrophobicContact CG2-CE2 4.13Å; I94-L127 HydrophobicContact CG1-CD2 3.61Å; I94-E158 PolarHBondContact N-OE1 3.13Å; I94-A310 HydrophobicContact CG2-CB 3.96Å; I94-L333 HydrophobicContact CD1-CD2 4.01Å; I94-L333 HydrophobicContact CG2-CD2 4.3Å; I94-Y336 HydrophobicContact CD1-CE1 4.42Å; I94-F337 HydrophobicContact CB-CE2 4.48Å; I94-F337 HydrophobicContact CB-CZ 4.15Å; I94-F337 HydrophobicContact CG2-CE2 3.79Å; I94-F337 HydrophobicContact CG2-CZ 3.95Å
95	M	94.1	Very high	93.6	Very high	13 Å²	13	13.1 Å²	13.1	6%	0.064	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	127.6	-177.3	-65.7	-58.9	-169	0	0	110.8	A97 E158 I162 V271 F337	M95-A97 PolarHBondContact O-N 3.24Å; M95-E158 HydrophobicContact CB-CG 4.28Å; M95-E158 WeakPolarHBondContact CG-OE2 3.32Å; M95-E158 PolarHBondContact N-OE1 3.35Å; M95-I162 HydrophobicContact CE-CD1 4.49Å; M95-I162 HydrophobicContact CE-CG1 4.19Å; M95-I162 HydrophobicContact CE-CG2 3.97Å; M95-I162 HydrophobicContact CG-CG2 4.39Å; M95-V271 HydrophobicContact CE-CB 4.11Å; M95-V271 HydrophobicContact CE-CG1 3.43Å; M95-V271 VanDerWaalsContact CE-CG1 3.43Å; M95-V271 HydrophobicContact CE-CG2 3.49Å; M95-V271 VanDerWaalsContact CE-CG2 3.49Å; M95-V271 HydrophobicContact SD-CG1 4.12Å; M95-F337 HydrophobicContact CE-CD1 3.48Å; M95-F337 VanDerWaalsContact CE-CD1 3.48Å; M95-F337 HydrophobicContact CE-CD2 4.03Å; M95-F337 HydrophobicContact CE-CE1 3.1Å; M95-F337 HydrophobicContact CE-CE2 3.68Å; M95-F337 HydrophobicContact CE-CG 3.94Å; M95-F337 HydrophobicContact CE-CZ 3.2Å; M95-F337 HydrophobicContact CG-CZ 4.2Å; M95-F337 HydrophobicContact SD-CE1 4.31Å; M95-F337 HydrophobicContact SD-CE2 4.21Å; M95-F337 HydrophobicContact SD-CZ 3.86Å
96	G	91.5	Very high	93.6	Very high	31 Å²	31	12.1 Å²	12.1	32%	0.32	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	-3.6	-174.1	0	0	0	0	0	114.2	I94 M306 T309	I94-G96 PolarHBondContact O-N 3.48Å; G96-M306 VanDerWaalsContact CA-O 3.28Å; G96-M306 WeakPolarHBondContact CA-O 3.44Å; G96-M306 PolarHBondContact N-O 3.2Å; G96-M306 WeakPolarHBondContact O-CE 3.45Å; G96-T309 WeakPolarHBondContact CA-O 3.24Å; G96-T309 PolarHBondContact N-O 3.47Å
97	A	93.6	Very high	93.6	Very high	21 Å²	21	14.9 Å²	14.9	17%	0.174	10%	0.099	C	C	.	.			trans	-82.9	152.5	176	0	0	0	0	0	111.8	I94 M95 F99 L311	I94-A97 WeakPolarHBondContact O-CB 3.24Å; I94-A97 PolarHBondContact O-N 3.02Å; I94-A97 VanDerWaalsContact O-N 3.14Å; M95-A97 PolarHBondContact O-N 3.24Å; A97-F99 HydrophobicContact CB-CD2 4.44Å; A97-F99 HydrophobicContact CB-CE1 4.28Å; A97-F99 HydrophobicContact CB-CE2 3.64Å; A97-F99 HydrophobicContact CB-CZ 3.54Å; A97-L311 PolarHBondContact O-N 3.47Å
98	I	94.4	Very high	93.6	Very high	28 Å²	28	17.5 Å²	17.5	14%	0.144	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	116.3	178	-53	158.2	0	0	0	107.7	P105 L106 L288 M306 L311 A313	I98-P105 WeakPolarHBondContact O-CA 3.41Å; I98-L106 HydrophobicContact CG2-CD1 3.91Å; I98-L106 HydrophobicContact CG2-CG 4.44Å; I98-L106 PolarHBondContact O-N 3.27Å; I98-L288 HydrophobicContact CD1-CD1 4.49Å; I98-L288 HydrophobicContact CD1-CD2 3.45Å; I98-L288 VanDerWaalsContact CD1-CD2 3.45Å; I98-L288 HydrophobicContact CG1-CD2 3.9Å; I98-L288 HydrophobicContact CG2-CD2 4.21Å; I98-M306 HydrophobicContact CG1-CE 4.04Å; I98-L311 WeakPolarHBondContact CA-O 3.4Å; I98-L311 HydrophobicContact CG1-CB 4.37Å; I98-L311 HydrophobicContact CG1-CD1 4.3Å; I98-L311 HydrophobicContact CG2-CB 4.31Å; I98-A313 HydrophobicContact CG2-CB 4.14Å
99	F	95.1	Very high	93.5	Very high	1 Å²	1	17.7 Å²	17.7	0%	0.004	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	156.2	-177.6	-62.8	-67.9	0	0	0	111.8	I94 A97 Q103 R104 P105 A126 L127 L311 V312 A313	I94-F99 HydrophobicContact CG2-CE2 4.13Å; A97-F99 HydrophobicContact CB-CD2 4.44Å; A97-F99 HydrophobicContact CB-CE1 4.28Å; A97-F99 HydrophobicContact CB-CE2 3.64Å; A97-F99 HydrophobicContact CB-CZ 3.54Å; F99-Q103 HydrophobicContact CB-CG 4.48Å; F99-Q103 HydrophobicContact CD1-CG 3.81Å; F99-Q103 WeakPolarHBondContact CD1-O 3.22Å; F99-Q103 HydrophobicContact CE1-CG 4.15Å; F99-Q103 HydrophobicContact CG-CG 4Å; F99-R104 CarbonylContact C-O 3.48Å; F99-R104 WeakPolarHBondContact CA-O 3.41Å; F99-P105 HydrophobicContact CE1-CB 4.43Å; F99-A126 WeakPolarHBondContact CE1-O 3.44Å; F99-L127 HydrophobicContact CZ-CD2 4.42Å; F99-L311 PolarHBondContact N-O 2.87Å; F99-V312 CarbonylContact O-C 3.57Å; F99-V312 WeakPolarHBondContact O-CA 3.33Å; F99-A313 PolarHBondContact O-N 2.92Å
100	D	93.1	Very high	93.3	Very high	5 Å²	5	20.5 Å²	20.5	3%	0.027	13%	0.133	C	C	.	.			trans	-85.6	-176.1	161.5	75.9	-3.2	0	0	0	112	I102 Q103 R104 L106	D100-I102 PolarHBondContact O-N 3.43Å; D100-I102 VanDerWaalsContact O-N 3.14Å; D100-I102 WeakPolarHBondContact OD1-CG1 3.41Å; D100-I102 PolarHBondContact OD1-N 3.48Å; D100-I102 VanDerWaalsContact OD1-N 3.1Å; D100-Q103 PolarHBondContact O-N 3.48Å; D100-Q103 VanDerWaalsContact O-N 3.07Å; D100-Q103 PolarHBondContact OD1-N 3.09Å; D100-Q103 VanDerWaalsContact OD1-N 3.08Å; D100-R104 PolarHBondContact N-O 3.17Å; D100-R104 WeakPolarHBondContact OD1-CB 3.19Å; D100-R104 PolarHBondContact OD1-N 2.99Å; D100-R104 IonicContact OD1-NE 3.78Å; D100-R104 IonicContact OD2-CZ 3.85Å; D100-R104 IonicContact OD2-NE 3.61Å; D100-R104 PolarHBondContact OD2-NE 3.1Å; D100-R104 IonicContact OD2-NH2 2.71Å; D100-R104 PolarHBondContact OD2-NH2 3.23Å; D100-L106 HydrophobicContact CB-CD2 4.13Å
101	G	88.8	Confident	93.2	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.01	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-22.3	-177.5	0	0	0	0	0	115.6	A325 S326 T329	G101-A325 CarbonylContact O-C 3.51Å; G101-A325 WeakPolarHBondContact O-CB 3.41Å; G101-S326 PolarHBondContact O-N 3.21Å; G101-T329 PolarHBondContact O-OG1 2.87Å; G101-T329 VanDerWaalsContact O-OG1 3.13Å
102	I	90.8	Very high	93	Very high	26 Å²	26	31.5 Å²	31.5	13%	0.133	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.4	20	178.2	57.6	163.6	0	0	0	112.5	V51 Y67 D100 R104 A325	V51-I102 HydrophobicContact CB-CD1 4.36Å; V51-I102 HydrophobicContact CG2-CD1 3.99Å; Y67-I102 HydrophobicContact CD2-CG2 4.14Å; Y67-I102 HydrophobicContact CG-CG2 4.11Å; D100-I102 PolarHBondContact O-N 3.43Å; D100-I102 VanDerWaalsContact O-N 3.14Å; D100-I102 WeakPolarHBondContact OD1-CG1 3.41Å; D100-I102 PolarHBondContact OD1-N 3.48Å; D100-I102 VanDerWaalsContact OD1-N 3.1Å; I102-R104 HydrophobicContact CD1-CG 4.29Å; I102-R104 VanDerWaalsContact CD1-CZ 3.43Å; I102-R104 HydrophobicContact CG1-CG 4.2Å; I102-A325 HydrophobicContact CG2-CB 4.31Å
103	Q	94.5	Very high	92.7	Very high	5 Å²	5	33.4 Å²	33.4	2%	0.023	21%	0.207	C	C	.	.			trans	69.2	31	174.7	-150.2	-163.8	13.4	0	0	116.1	V88 E89 F99 D100 A126 T329	V88-Q103 HydrophobicContact CG1-CB 4.16Å; V88-Q103 HydrophobicContact CG1-CG 4.4Å; E89-Q103 PolarHBondContact O-NE2 2.98Å; F99-Q103 HydrophobicContact CB-CG 4.48Å; F99-Q103 HydrophobicContact CD1-CG 3.81Å; F99-Q103 WeakPolarHBondContact CD1-O 3.22Å; F99-Q103 HydrophobicContact CE1-CG 4.15Å; F99-Q103 HydrophobicContact CG-CG 4Å; D100-Q103 PolarHBondContact O-N 3.48Å; D100-Q103 VanDerWaalsContact O-N 3.07Å; D100-Q103 PolarHBondContact OD1-N 3.09Å; D100-Q103 VanDerWaalsContact OD1-N 3.08Å; Q103-A126 HydrophobicContact CG-CB 4.1Å; Q103-A126 WeakPolarHBondContact O-CA 3.44Å; Q103-A126 WeakPolarHBondContact O-CB 3.24Å; Q103-T329 HydrophobicContact CB-CG2 4.19Å; Q103-T329 HydrophobicContact CG-CG2 4.3Å
104	R	93.6	Very high	92.7	Very high	26 Å²	26	41.5 Å²	41.5	10%	0.098	24%	0.235	C	C	.	.			trans	-88.8	131.5	171.6	-62	179.8	-64.2	-162.3	-7	111.4	E68 F99 D100 I102 L106 I109 V122 V124	E68-R104 IonicContact OE1-CZ 3.71Å; E68-R104 IonicContact OE1-NH1 2.73Å; E68-R104 PolarHBondContact OE1-NH1 3.42Å; E68-R104 IonicContact OE1-NH2 3.89Å; F99-R104 CarbonylContact C-O 3.48Å; F99-R104 WeakPolarHBondContact CA-O 3.41Å; D100-R104 PolarHBondContact N-O 3.17Å; D100-R104 WeakPolarHBondContact OD1-CB 3.19Å; D100-R104 PolarHBondContact OD1-N 2.99Å; D100-R104 IonicContact OD1-NE 3.78Å; D100-R104 IonicContact OD2-CZ 3.85Å; D100-R104 IonicContact OD2-NE 3.61Å; D100-R104 PolarHBondContact OD2-NE 3.1Å; D100-R104 IonicContact OD2-NH2 2.71Å; D100-R104 PolarHBondContact OD2-NH2 3.23Å; I102-R104 HydrophobicContact CD1-CG 4.29Å; I102-R104 VanDerWaalsContact CD1-CZ 3.43Å; I102-R104 HydrophobicContact CG1-CG 4.2Å; R104-L106 PolarHBondContact O-N 3.18Å; R104-I109 HydrophobicContact CB-CD1 3.7Å; R104-V122 PolarHBondContact NH1-O 2.84Å; R104-V124 HydrophobicContact CB-CG2 3.82Å; R104-V124 HydrophobicContact CG-CG2 4.01Å
105	P	94.9	Very high	92.6	Very high	7 Å²	7	43.7 Å²	43.7	5%	0.045	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-70.8	116.4	-179.9	25.6	-34	0	0	0	111.6	I98 F99 S107 D108 I109 V124 S125	I98-P105 WeakPolarHBondContact O-CA 3.41Å; F99-P105 HydrophobicContact CE1-CB 4.43Å; P105-S107 PolarHBondContact O-N 2.9Å; P105-D108 HydrophobicContact CB-CB 4.11Å; P105-D108 HydrophobicContact CG-CB 3.87Å; P105-D108 WeakPolarHBondContact CG-OD2 3.43Å; P105-D108 PolarHBondContact O-N 3.08Å; P105-I109 WeakPolarHBondContact O-CD1 3.41Å; P105-I109 VanDerWaalsContact O-CG1 3.27Å; P105-I109 WeakPolarHBondContact O-CG1 3.31Å; P105-I109 PolarHBondContact O-N 3.38Å; P105-I109 VanDerWaalsContact O-N 3.11Å; P105-V124 HydrophobicContact CG-CG2 4.4Å; P105-S125 WeakPolarHBondContact CD-O 3.31Å; P105-S125 WeakPolarHBondContact CG-O 3.44Å
106	L	92.7	Very high	92.4	Very high	38 Å²	38	50.2 Å²	50.2	20%	0.199	28%	0.284	C	S	.	.	H	α-helix	trans	-66.5	-36.3	-176.7	-66.8	-175.7	0	0	0	112.6	I98 D100 R104 I109 S110 I118 A313	I98-L106 HydrophobicContact CG2-CD1 3.91Å; I98-L106 HydrophobicContact CG2-CG 4.44Å; I98-L106 PolarHBondContact O-N 3.27Å; D100-L106 HydrophobicContact CB-CD2 4.13Å; R104-L106 PolarHBondContact O-N 3.18Å; L106-I109 HydrophobicContact CD2-CD1 4.47Å; L106-I109 PolarHBondContact O-N 3.36Å; L106-S110 PolarHBondContact O-N 3.39Å; L106-I118 HydrophobicContact CD2-CD1 3.83Å; L106-A313 HydrophobicContact CD1-CB 4.11Å
107	S	91.5	Very high	92.4	Very high	67 Å²	67	57 Å²	57	47%	0.469	30%	0.301	S	S	.	.	H	α-helix	trans	-64.9	-40.8	178.7	-60.4	0	0	0	0	112.3	P105 S110 T111	P105-S107 PolarHBondContact O-N 2.9Å; S107-S110 PolarHBondContact O-N 2.65Å; S107-T111 WeakPolarHBondContact O-CB 3.42Å; S107-T111 PolarHBondContact O-N 3.34Å; S107-T111 PolarHBondContact O-OG1 3.37Å
108	D	92	Very high	92.3	Very high	73 Å²	73	59.2 Å²	59.2	39%	0.39	31%	0.31	S	S	.	.	H	α-helix	trans	-73.3	-38.9	-179.9	-62	-14.9	0	0	0	110.8	P105 S110 T111 L112	P105-D108 HydrophobicContact CB-CB 4.11Å; P105-D108 HydrophobicContact CG-CB 3.87Å; P105-D108 WeakPolarHBondContact CG-OD2 3.43Å; P105-D108 PolarHBondContact O-N 3.08Å; D108-S110 VanDerWaalsContact C-N 3.34Å; D108-S110 PolarHBondContact O-N 3.35Å; D108-T111 PolarHBondContact O-N 2.73Å; D108-L112 VanDerWaalsContact O-CB 3.23Å; D108-L112 WeakPolarHBondContact O-CB 3.4Å; D108-L112 PolarHBondContact O-N 3.02Å
109	I	92.6	Very high	92	Very high	4 Å²	4	60.5 Å²	60.5	2%	0.021	32%	0.32	C	S	.	.	H	α-helix	trans	-58.6	-47.5	173.6	-68.3	164.2	0	0	0	110.4	R104 P105 L106 T111 L112 T113 I118 V122 V124	R104-I109 HydrophobicContact CB-CD1 3.7Å; P105-I109 WeakPolarHBondContact O-CD1 3.41Å; P105-I109 VanDerWaalsContact O-CG1 3.27Å; P105-I109 WeakPolarHBondContact O-CG1 3.31Å; P105-I109 PolarHBondContact O-N 3.38Å; P105-I109 VanDerWaalsContact O-N 3.11Å; L106-I109 HydrophobicContact CD2-CD1 4.47Å; L106-I109 PolarHBondContact O-N 3.36Å; I109-T111 VanDerWaalsContact C-N 3.34Å; I109-T111 PolarHBondContact O-N 3.04Å; I109-L112 PolarHBondContact O-N 2.61Å; I109-T113 HydrophobicContact CG2-CG2 4.27Å; I109-T113 WeakPolarHBondContact O-CB 3.13Å; I109-T113 VanDerWaalsContact O-CG2 3.27Å; I109-T113 WeakPolarHBondContact O-CG2 3.46Å; I109-T113 PolarHBondContact O-N 3.4Å; I109-T113 PolarHBondContact O-OG1 2.77Å; I109-I118 HydrophobicContact CG2-CG2 4.44Å; I109-V122 HydrophobicContact CD1-CG1 4.35Å; I109-V124 HydrophobicContact CD1-CG2 3.93Å; I109-V124 HydrophobicContact CG1-CG1 4.2Å; I109-V124 HydrophobicContact CG1-CG2 3.64Å
110	S	92.9	Very high	91.6	Very high	61 Å²	61	66.5 Å²	66.5	43%	0.427	34%	0.342	S	S	.	.	H	α-helix	trans	-62.2	-42.7	179.1	-174.3	0	0	0	0	111.6	L106 S107 D108 K114	L106-S110 PolarHBondContact O-N 3.39Å; S107-S110 PolarHBondContact O-N 2.65Å; D108-S110 VanDerWaalsContact C-N 3.34Å; D108-S110 PolarHBondContact O-N 3.35Å; S110-K114 VanDerWaalsContact O-CA 3.32Å; S110-K114 WeakPolarHBondContact O-CA 3.33Å; S110-K114 PolarHBondContact O-N 3.03Å
111	T	92.4	Very high	91.2	Very high	106 Å²	106	67 Å²	67	65%	0.65	35%	0.349	S	S	*	.	H	α-helix	trans	-67.3	-42.5	179.9	-55.8	0	0	0	0	112.2	S107 D108 I109	S107-T111 WeakPolarHBondContact O-CB 3.42Å; S107-T111 PolarHBondContact O-N 3.34Å; S107-T111 PolarHBondContact O-OG1 3.37Å; D108-T111 PolarHBondContact O-N 2.73Å; I109-T111 VanDerWaalsContact C-N 3.34Å; I109-T111 PolarHBondContact O-N 3.04Å
112	L	90.3	Very high	91.2	Very high	124 Å²	124	68 Å²	68	65%	0.649	36%	0.355	S	S	*	.	H	α-helix	trans	-69.9	-42.8	-178.8	-176.1	145.1	0	0	0	112.1	D108 I109	D108-L112 VanDerWaalsContact O-CB 3.23Å; D108-L112 WeakPolarHBondContact O-CB 3.4Å; D108-L112 PolarHBondContact O-N 3.02Å; I109-L112 PolarHBondContact O-N 2.61Å
113	T	89.8	Confident	90.9	Very high	41 Å²	41	69.5 Å²	69.5	25%	0.252	36%	0.363	S	S	.	.	H	α-helix	trans	-86.6	-18.1	-176	63.4	0	0	0	0	113.1	I109 S115 P119	I109-T113 HydrophobicContact CG2-CG2 4.27Å; I109-T113 WeakPolarHBondContact O-CB 3.13Å; I109-T113 VanDerWaalsContact O-CG2 3.27Å; I109-T113 WeakPolarHBondContact O-CG2 3.46Å; I109-T113 PolarHBondContact O-N 3.4Å; I109-T113 PolarHBondContact O-OG1 2.77Å; T113-S115 PolarHBondContact O-N 3.05Å; T113-S115 VanDerWaalsContact O-N 3.14Å; T113-P119 HydrophobicContact CG2-CG 3.56Å
114	K	92.1	Very high	90.6	Very high	193 Å²	193	70.2 Å²	70.2	84%	0.839	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	33.1	-173.1	-58.6	-177	-179.2	178.3	0	112.6	S110	S110-K114 VanDerWaalsContact O-CA 3.32Å; S110-K114 WeakPolarHBondContact O-CA 3.33Å; S110-K114 PolarHBondContact O-N 3.03Å
115	S	92.9	Very high	90.4	Very high	46 Å²	46	70.1 Å²	70.1	32%	0.322	37%	0.371	S	S	.	.	S	Bend	trans	-125.3	158.8	-178.8	-176.7	0	0	0	0	109.9	T113 Y117	T113-S115 PolarHBondContact O-N 3.05Å; T113-S115 VanDerWaalsContact O-N 3.14Å; S115-Y117 VanDerWaalsContact C-N 3.34Å; S115-Y117 PolarHBondContact OG-N 3.32Å; S115-Y117 VanDerWaalsContact OG-N 3.15Å
116	I	92	Very high	90.2	Very high	151 Å²	151	70.3 Å²	70.3	77%	0.774	37%	0.373	S	S	*	.	S	Bend	trans	-85.1	-12.1	170.7	62	173.4	0	0	0	112.3
117	Y	90.6	Very high	90.3	Very high	173 Å²	173	68.6 Å²	68.6	68%	0.678	36%	0.364	S	S	*	.	S	Bend	trans	-101.7	145	-179.7	-62	-71.1	0	0	0	111	S115 P119	S115-Y117 VanDerWaalsContact C-N 3.34Å; S115-Y117 PolarHBondContact OG-N 3.32Å; S115-Y117 VanDerWaalsContact OG-N 3.15Å; Y117-P119 VanDerWaalsContact O-CD 3.31Å; Y117-P119 WeakPolarHBondContact O-CD 3.43Å
118	I	90.4	Very high	90.2	Very high	68 Å²	68	67.4 Å²	67.4	35%	0.349	36%	0.356	S	S	.	.			trans	-82.7	114.9	172.8	-57.3	170.6	0	0	0	107.8	L106 I109 V122 M318	L106-I118 HydrophobicContact CD2-CD1 3.83Å; I109-I118 HydrophobicContact CG2-CG2 4.44Å; I118-V122 HydrophobicContact CG2-CG1 4.12Å; I118-M318 HydrophobicContact CD1-CE 3.73Å
119	P	89.7	Confident	90.1	Very high	54 Å²	54	65.7 Å²	65.7	35%	0.351	34%	0.344	S	S	.	.			trans	-67	148.1	176.6	-18.6	33.2	0	0	0	111.4	T113 Y117 V122	T113-P119 HydrophobicContact CG2-CG 3.56Å; Y117-P119 VanDerWaalsContact O-CD 3.31Å; Y117-P119 WeakPolarHBondContact O-CD 3.43Å; P119-V122 VanDerWaalsContact O-CG1 3.31Å; P119-V122 WeakPolarHBondContact O-CG1 3.31Å
120	R	86.8	Confident	90	Very high	127 Å²	127	72.4 Å²	72.4	48%	0.479	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	140.6	173.6	-62.8	179.6	-65.7	177.5	6.3	110.2	L50 S71 V122	L50-R120 HydrophobicContact CD2-CB 4.09Å; S71-R120 PolarHBondContact O-NH1 2.98Å; R120-V122 PolarHBondContact O-N 3.32Å
121	G	83.9	Confident	90	Very high	17 Å²	17	72.6 Å²	72.6	18%	0.175	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	12.3	179.2	0	0	0	0	0	114.7	S48 E68 N123	S48-G121 WeakPolarHBondContact O-CA 3.49Å; E68-G121 PolarHBondContact OE2-N 3.3Å; G121-N123 PolarHBondContact O-N 3.13Å; G121-N123 VanDerWaalsContact O-N 3.17Å
122	V	87.9	Confident	90.1	Very high	21 Å²	21	74 Å²	74	13%	0.127	38%	0.376	C	S	.	.			trans	-67.6	117.5	179.3	68	0	0	0	0	109.9	R104 I109 I118 P119 R120 V124	R104-V122 PolarHBondContact NH1-O 2.84Å; I109-V122 HydrophobicContact CD1-CG1 4.35Å; I118-V122 HydrophobicContact CG2-CG1 4.12Å; P119-V122 VanDerWaalsContact O-CG1 3.31Å; P119-V122 WeakPolarHBondContact O-CG1 3.31Å; R120-V122 PolarHBondContact O-N 3.32Å; V122-V124 HydrophobicContact CG2-CG1 4.07Å
123	N	84.7	Confident	90.4	Very high	57 Å²	57	70 Å²	70	31%	0.305	35%	0.352	S	S	.	.			trans	-106.7	94.4	177.3	-164.8	24.1	0	0	0	109.4	F3 R44 G121	F3-N123 PolarHBondContact O-ND2 3.06Å; F3-N123 VanDerWaalsContact O-ND2 3.17Å; R44-N123 PolarHBondContact NH2-OD1 3.31Å; G121-N123 PolarHBondContact O-N 3.13Å; G121-N123 VanDerWaalsContact O-N 3.17Å
124	V	87.9	Confident	90.6	Very high	21 Å²	21	72.3 Å²	72.3	13%	0.127	36%	0.362	C	S	.	.			trans	-108.6	144	173.1	-74.2	0	0	0	0	109.2	R104 P105 I109 V122	R104-V124 HydrophobicContact CB-CG2 3.82Å; R104-V124 HydrophobicContact CG-CG2 4.01Å; P105-V124 HydrophobicContact CG-CG2 4.4Å; I109-V124 HydrophobicContact CD1-CG2 3.93Å; I109-V124 HydrophobicContact CG1-CG1 4.2Å; I109-V124 HydrophobicContact CG1-CG2 3.64Å; V122-V124 HydrophobicContact CG2-CG1 4.07Å
125	S	90.5	Very high	90.8	Very high	23 Å²	23	63.2 Å²	63.2	16%	0.161	32%	0.323	C	S	.	.			trans	-61.8	141.5	171.2	-174.3	0	0	0	0	109.3	P105 L127 R129	P105-S125 WeakPolarHBondContact CD-O 3.31Å; P105-S125 WeakPolarHBondContact CG-O 3.44Å; S125-L127 VanDerWaalsContact C-N 3.35Å; S125-L127 WeakPolarHBondContact CB-O 3.48Å; S125-L127 PolarHBondContact OG-O 2.96Å; S125-R129 PolarHBondContact OG-NE 3.29Å
126	A	91.4	Very high	91	Very high	11 Å²	11	64 Å²	64	9%	0.091	33%	0.326	C	S	.	.	S	Bend	trans	-66	-43.6	179.2	0	0	0	0	0	110.5	E89 F99 Q103	E89-A126 HydrophobicContact CB-CB 4.08Å; E89-A126 HydrophobicContact CG-CB 4.15Å; F99-A126 WeakPolarHBondContact CE1-O 3.44Å; Q103-A126 HydrophobicContact CG-CB 4.1Å; Q103-A126 WeakPolarHBondContact O-CA 3.44Å; Q103-A126 WeakPolarHBondContact O-CB 3.24Å
127	L	93.1	Very high	91.1	Very high	2 Å²	2	58.6 Å²	58.6	1%	0.01	30%	0.3	C	S	.	.	S	Bend	trans	-106.9	140.9	175	-55.7	176.1	0	0	0	110.6	E89 I94 F99 S125 V206	E89-L127 HydrophobicContact CB-CD1 4.11Å; E89-L127 HydrophobicContact CB-CG 4.24Å; E89-L127 PolarHBondContact OE2-N 2.9Å; E89-L127 VanDerWaalsContact OE2-N 3.15Å; I94-L127 HydrophobicContact CG1-CD2 3.61Å; F99-L127 HydrophobicContact CZ-CD2 4.42Å; S125-L127 VanDerWaalsContact C-N 3.35Å; S125-L127 WeakPolarHBondContact CB-O 3.48Å; S125-L127 PolarHBondContact OG-O 2.96Å; L127-V206 HydrophobicContact CD1-CG1 3.73Å
128	S	90.6	Very high	91	Very high	42 Å²	42	52.3 Å²	52.3	29%	0.294	28%	0.282	S	S	.	.			trans	-63	136.7	176.3	-178.6	0	0	0	0	111	D130 T187	S128-D130 PolarHBondContact OG-N 2.75Å; S128-T187 PolarHBondContact O-OG1 3.24Å; S128-T187 VanDerWaalsContact O-OG1 3.05Å
129	R	89.6	Confident	90.7	Very high	38 Å²	38	58.7 Å²	58.7	14%	0.143	31%	0.307	C	S	.	.	S	Bend	trans	-94	-9	175.7	-54.1	-50.4	-172.5	157.3	-7.6	112.6	E89 S125 D186 T187	E89-R129 IonicContact OE1-CZ 2.75Å; E89-R129 IonicContact OE1-NH2 3.36Å; E89-R129 PolarHBondContact OE1-NH2 3.46Å; E89-R129 IonicContact OE2-NH2 2.81Å; S125-R129 PolarHBondContact OG-NE 3.29Å; R129-D186 WeakPolarHBondContact O-CB 3.4Å; R129-T187 WeakPolarHBondContact CD-OG1 3.49Å; R129-T187 PolarHBondContact NH1-O 3.44Å; R129-T187 VanDerWaalsContact NH1-O 3.08Å; R129-T187 PolarHBondContact NH1-OG1 3.05Å; R129-T187 VanDerWaalsContact NH1-OG1 3.16Å
130	D	90.8	Very high	90.4	Very high	144 Å²	144	63 Å²	63	77%	0.77	33%	0.328	S	S	*	.	S	Bend	trans	-94.1	-26	-176.7	-57.7	-42.5	0	0	0	112.5	S128 K132	S128-D130 PolarHBondContact OG-N 2.75Å; D130-K132 PolarHBondContact O-N 2.81Å
131	V	92.3	Very high	90.5	Very high	65 Å²	65	58.5 Å²	58.5	39%	0.394	31%	0.313	S	S	.	.			trans	-73	126.3	179.3	-179.2	0	0	0	0	109.7	W133	V131-W133 HydrophobicContact CB-CZ2 4.46Å; V131-W133 HydrophobicContact CG1-CD2 4.28Å; V131-W133 HydrophobicContact CG1-CH2 4.24Å; V131-W133 HydrophobicContact CG1-CZ2 3.68Å
132	K	94.3	Very high	90.8	Very high	137 Å²	137	66.6 Å²	66.6	60%	0.596	34%	0.338	S	S	*	.			trans	-94.2	139.4	175.5	-61.8	-168.9	178.3	-167.7	0	110.7	D130 N184 Y185	D130-K132 PolarHBondContact O-N 2.81Å; K132-N184 HydrophobicContact CB-CB 4.4Å; K132-Y185 CarbonylContact C-O 3.52Å; K132-Y185 WeakPolarHBondContact CA-O 3.38Å
133	W	95.9	Very high	91	Very high	39 Å²	39	70.3 Å²	70.3	15%	0.148	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	142	-176.2	-62.2	103.7	0	0	0	111	P92 V131 F135 V156 E158 N184 Y185	P92-W133 HydrophobicContact CB-CD2 4.01Å; P92-W133 HydrophobicContact CB-CG 4.19Å; P92-W133 HydrophobicContact CB-CZ2 4.44Å; P92-W133 HydrophobicContact CG-CG 4.2Å; V131-W133 HydrophobicContact CB-CZ2 4.46Å; V131-W133 HydrophobicContact CG1-CD2 4.28Å; V131-W133 HydrophobicContact CG1-CH2 4.24Å; V131-W133 HydrophobicContact CG1-CZ2 3.68Å; W133-F135 PolarHBondContact O-N 3.16Å; W133-V156 HydrophobicContact CB-CG1 3.73Å; W133-V156 HydrophobicContact CD2-CG1 4.24Å; W133-V156 HydrophobicContact CE3-CG1 4.04Å; W133-V156 HydrophobicContact CG-CG1 4.16Å; W133-E158 HydrophobicContact CH2-CG 4.11Å; W133-E158 HydrophobicContact CZ3-CB 4.38Å; W133-E158 HydrophobicContact CZ3-CG 4.09Å; W133-N184 WeakPolarHBondContact O-CA 3.21Å; W133-Y185 PolarHBondContact N-O 3.44Å; W133-Y185 PolarHBondContact O-N 3.08Å
134	D	95.9	Very high	91.3	Very high	89 Å²	89	69.8 Å²	69.8	48%	0.476	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	96.7	177.5	-75.4	-44.3	0	0	0	111.3	N184	D134-N184 PolarHBondContact OD1-ND2 3.15Å; D134-N184 PolarHBondContact OD1-OD1 2.92Å
135	F	96.4	Very high	91.6	Very high	2 Å²	2	70.5 Å²	70.5	1%	0.009	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.8	113.4	166.9	174.2	-29.1	0	0	0	115.5	W133 P137 Y153 V156 I166 P182 G183 V191 M205	W133-F135 PolarHBondContact O-N 3.16Å; F135-P137 HydrophobicContact CE1-CB 3.96Å; F135-P137 HydrophobicContact CE1-CG 4.42Å; F135-P137 HydrophobicContact CZ-CB 4.18Å; F135-Y153 HydrophobicContact CE2-CD2 4.27Å; F135-Y153 HydrophobicContact CE2-CE2 4.15Å; F135-Y153 HydrophobicContact CZ-CD2 4.19Å; F135-Y153 HydrophobicContact CZ-CE2 4.31Å; F135-V156 HydrophobicContact CB-CG2 3.73Å; F135-V156 HydrophobicContact CD2-CG2 4.06Å; F135-V156 HydrophobicContact CG-CG2 4.46Å; F135-I166 HydrophobicContact CD2-CG1 4.23Å; F135-I166 HydrophobicContact CE2-CG1 4.37Å; F135-P182 WeakPolarHBondContact O-CA 3.26Å; F135-P182 WeakPolarHBondContact O-CB 3.43Å; F135-G183 VanDerWaalsContact CA-O 3.26Å; F135-G183 WeakPolarHBondContact CA-O 3.4Å; F135-G183 PolarHBondContact N-O 2.95Å; F135-G183 PolarHBondContact O-N 3.45Å; F135-G183 VanDerWaalsContact O-N 3.14Å; F135-V191 HydrophobicContact CD1-CG1 4.06Å; F135-V191 HydrophobicContact CD2-CG1 4.13Å; F135-V191 HydrophobicContact CE1-CG1 3.44Å; F135-V191 VanDerWaalsContact CE1-CG1 3.44Å; F135-V191 HydrophobicContact CE2-CG1 3.52Å; F135-V191 HydrophobicContact CG-CG1 4.4Å; F135-V191 HydrophobicContact CZ-CG1 3.15Å; F135-M205 HydrophobicContact CB-CE 3.59Å; F135-M205 HydrophobicContact CD2-CE 4.11Å; F135-M205 HydrophobicContact CG-CE 3.91Å
136	T	95.9	Very high	91.7	Very high	62 Å²	62	76.9 Å²	76.9	38%	0.38	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	111.9	162.4	59.7	0	0	0	0	112.6	G154 V155	T136-G154 CarbonylContact O-C 3.58Å; T136-G154 WeakPolarHBondContact O-CA 3.33Å; T136-V155 PolarHBondContact N-O 3.38Å; T136-V155 PolarHBondContact O-N 3.25Å; T136-V155 PolarHBondContact OG1-O 3.08Å
137	P	94.2	Very high	91.9	Very high	38 Å²	38	76.6 Å²	76.6	25%	0.247	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	154.2	178.8	28.4	-33.8	0	0	0	112	F135 K139 I179	F135-P137 HydrophobicContact CE1-CB 3.96Å; F135-P137 HydrophobicContact CE1-CG 4.42Å; F135-P137 HydrophobicContact CZ-CB 4.18Å; P137-K139 PolarHBondContact O-N 2.95Å; P137-I179 HydrophobicContact CB-CD1 3.66Å; P137-I179 HydrophobicContact CB-CG1 4.13Å
138	S	89.6	Confident	92	Very high	42 Å²	42	79.6 Å²	79.6	29%	0.294	42%	0.416	S	S	.	.			trans	-64.7	127.4	175.9	-175.4	0	0	0	0	110.9	N140 L141 Y153	S138-N140 PolarHBondContact O-N 3.38Å; S138-L141 PolarHBondContact O-N 3.46Å; S138-L141 VanDerWaalsContact O-N 3.09Å; S138-Y153 PolarHBondContact N-O 3.1Å
139	K	82.9	Confident	92.2	Very high	201 Å²	201	77.6 Å²	77.6	87%	0.874	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-24.5	-175.9	-66.2	-175.6	-179.7	-179.6	0	113.9	P137	P137-K139 PolarHBondContact O-N 2.95Å
140	N	83.8	Confident	92.3	Very high	146 Å²	146	76.1 Å²	76.1	78%	0.781	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-11.4	-174.8	-62.2	-8.1	0	0	0	112.6	S138	S138-N140 PolarHBondContact O-N 3.38Å
141	L	88.2	Confident	92.5	Very high	31 Å²	31	69.9 Å²	69.9	16%	0.162	37%	0.366	C	S	.	.			trans	-93.9	123.5	-174.3	-156.1	65.8	0	0	0	110.1	S138 I147 V176 I179	S138-L141 PolarHBondContact O-N 3.46Å; S138-L141 VanDerWaalsContact O-N 3.09Å; L141-I147 HydrophobicContact CD2-CD1 4.08Å; L141-V176 HydrophobicContact CD1-CG2 4.17Å; L141-V176 HydrophobicContact CD2-CG2 4.23Å; L141-V176 HydrophobicContact CG-CG2 4.17Å; L141-I179 HydrophobicContact CB-CD1 4.36Å; L141-I179 HydrophobicContact CD2-CD1 3.84Å; L141-I179 HydrophobicContact CG-CD1 4.39Å
142	R	90.2	Very high	92.6	Very high	188 Å²	188	67.8 Å²	67.8	71%	0.709	35%	0.353	S	S	*	.			trans	-123.3	161.1	177.3	-61.9	-176.8	-177.6	-178.9	1.1	110	G144 S145	R142-G144 PolarHBondContact O-N 3.45Å; R142-S145 PolarHBondContact N-OG 3.23Å; R142-S145 VanDerWaalsContact O-CB 3.24Å; R142-S145 WeakPolarHBondContact O-CB 3.4Å; R142-S145 PolarHBondContact O-N 2.86Å; R142-S145 PolarHBondContact O-OG 3.39Å; R142-S145 VanDerWaalsContact O-OG 3.12Å
143	V	93.1	Very high	92.6	Very high	99 Å²	99	61.4 Å²	61.4	60%	0.6	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	128.4	168	179.6	0	0	0	0	108.4	T177	V143-T177 VanDerWaalsContact CG1-O 3.26Å; V143-T177 WeakPolarHBondContact CG1-O 3.41Å
144	G	91.1	Very high	92.5	Very high	46 Å²	46	59.6 Å²	59.6	47%	0.474	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.3	-7.2	-172.8	0	0	0	0	0	115	R142 T175 V176	R142-G144 PolarHBondContact O-N 3.45Å; G144-T175 WeakPolarHBondContact O-CG2 3.3Å; G144-V176 PolarHBondContact N-O 2.97Å
145	S	93.6	Very high	92.5	Very high	35 Å²	35	57.2 Å²	57.2	25%	0.245	31%	0.306	C	S	.	.			trans	-71.5	142.5	174.5	-64.5	0	0	0	0	111.5	R142 V176	R142-S145 PolarHBondContact N-OG 3.23Å; R142-S145 VanDerWaalsContact O-CB 3.24Å; R142-S145 WeakPolarHBondContact O-CB 3.4Å; R142-S145 PolarHBondContact O-N 2.86Å; R142-S145 PolarHBondContact O-OG 3.39Å; R142-S145 VanDerWaalsContact O-OG 3.12Å; S145-V176 WeakPolarHBondContact O-CG2 3.44Å; S145-V176 PolarHBondContact O-N 3.28Å
146	H	93.3	Very high	92.6	Very high	157 Å²	157	57.1 Å²	57.1	73%	0.727	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	136.6	169.7	-62.4	-61.5	0	0	0	110.3	T175	H146-T175 PolarHBondContact CE1-OG1 2.93Å; H146-T175 PolarHBondContact ND1-OG1 3.37Å; H146-T175 VanDerWaalsContact ND1-OG1 3.13Å
147	I	95	Very high	92.4	Very high	6 Å²	6	58.1 Å²	58.1	3%	0.031	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	143.3	176.9	-166.5	174.3	0	0	0	109.4	L141 D151 L168 R173 G174 V176 L192 L194	L141-I147 HydrophobicContact CD2-CD1 4.08Å; I147-D151 HydrophobicContact CD1-CB 3.88Å; I147-D151 HydrophobicContact CG1-CB 3.47Å; I147-D151 VanDerWaalsContact CG1-CB 3.47Å; I147-D151 VanDerWaalsContact CG1-OD2 3.31Å; I147-D151 WeakPolarHBondContact CG1-OD2 3.33Å; I147-L168 HydrophobicContact CD1-CB 4.48Å; I147-L168 HydrophobicContact CD1-CD2 4.48Å; I147-L168 HydrophobicContact CG1-CD2 4.31Å; I147-L168 HydrophobicContact CG2-CD2 4.13Å; I147-R173 WeakPolarHBondContact O-CA 3.47Å; I147-G174 PolarHBondContact N-O 3.38Å; I147-G174 PolarHBondContact O-N 3.25Å; I147-V176 HydrophobicContact CB-CG2 4.32Å; I147-V176 HydrophobicContact CG2-CG2 3.95Å; I147-L192 HydrophobicContact CD1-CD2 4.46Å; I147-L194 HydrophobicContact CG2-CD1 3.62Å; I147-L194 HydrophobicContact CG2-CD2 3.51Å; I147-L194 HydrophobicContact CG2-CG 4.24Å
148	T	94.9	Very high	92.4	Very high	64 Å²	64	56.9 Å²	56.9	39%	0.393	30%	0.3	S	S	.	.			trans	-118.4	169.6	176.5	-164.9	0	0	0	0	110.9	D151 L168 N172	T148-D151 VanDerWaalsContact CG2-OD1 3.3Å; T148-D151 WeakPolarHBondContact CG2-OD1 3.48Å; T148-D151 PolarHBondContact N-OD2 3.38Å; T148-D151 VanDerWaalsContact O-CB 3.3Å; T148-D151 WeakPolarHBondContact O-CB 3.43Å; T148-D151 PolarHBondContact O-N 3.47Å; T148-L168 WeakPolarHBondContact O-CD2 3.01Å; T148-N172 CarbonylContact C-O 3.59Å
149	G	94.4	Very high	92.3	Very high	1 Å²	1	57 Å²	57	1%	0.01	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	145.9	177.6	0	0	0	0	0	110.8	D151 P169 N172 L395	G149-D151 PolarHBondContact O-N 2.79Å; G149-P169 WeakPolarHBondContact CA-O 3.25Å; G149-N172 WeakPolarHBondContact CA-O 3.2Å; G149-N172 PolarHBondContact N-O 2.86Å; G149-L395 WeakPolarHBondContact O-CD2 3.16Å
150	G	93.1	Very high	92.6	Very high	7 Å²	7	51.2 Å²	51.2	7%	0.072	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	-9.9	-179.7	0	0	0	0	0	116	L168 L395 R400	G150-L168 WeakPolarHBondContact CA-O 3.37Å; G150-L168 PolarHBondContact N-O 3.09Å; G150-L395 CarbonylContact C-O 3.58Å; G150-R400 PolarHBondContact O-NH2 2.91Å
151	D	94.8	Very high	92.9	Very high	13 Å²	13	46.4 Å²	46.4	7%	0.07	26%	0.256	C	S	.	.			trans	-63.2	138.6	176.8	-71	-3	0	0	0	111.3	I147 T148 G149 Y153 M167 L168 G396 N397	I147-D151 HydrophobicContact CD1-CB 3.88Å; I147-D151 HydrophobicContact CG1-CB 3.47Å; I147-D151 VanDerWaalsContact CG1-CB 3.47Å; I147-D151 VanDerWaalsContact CG1-OD2 3.31Å; I147-D151 WeakPolarHBondContact CG1-OD2 3.33Å; T148-D151 VanDerWaalsContact CG2-OD1 3.3Å; T148-D151 WeakPolarHBondContact CG2-OD1 3.48Å; T148-D151 PolarHBondContact N-OD2 3.38Å; T148-D151 VanDerWaalsContact O-CB 3.3Å; T148-D151 WeakPolarHBondContact O-CB 3.43Å; T148-D151 PolarHBondContact O-N 3.47Å; G149-D151 PolarHBondContact O-N 2.79Å; D151-Y153 PolarHBondContact O-N 2.99Å; D151-M167 WeakPolarHBondContact O-CA 3.42Å; D151-L168 PolarHBondContact O-N 3.31Å; D151-G396 VanDerWaalsContact OD1-C 3.31Å; D151-G396 WeakPolarHBondContact OD1-CA 3.28Å; D151-N397 VanDerWaalsContact CA-O 3.3Å; D151-N397 WeakPolarHBondContact CA-O 3.46Å; D151-N397 PolarHBondContact OD1-N 3.42Å
152	I	95	Very high	93.1	Very high	21 Å²	21	45 Å²	45	11%	0.108	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	115.8	174.1	-58.5	174.5	0	0	0	109	G154 K165 I166 M167 N397 P398 R400	I152-G154 WeakPolarHBondContact CG2-O 3.48Å; I152-K165 HydrophobicContact CD1-CB 3.9Å; I152-K165 HydrophobicContact CD1-CD 3.72Å; I152-K165 HydrophobicContact CD1-CG 3.96Å; I152-K165 HydrophobicContact CG1-CB 4.24Å; I152-K165 HydrophobicContact CG2-CB 4.19Å; I152-I166 WeakPolarHBondContact CA-O 3.36Å; I152-M167 HydrophobicContact CG1-CG 4Å; I152-N397 PolarHBondContact N-O 2.69Å; I152-P398 HydrophobicContact CD1-CG 4.12Å; I152-R400 VanDerWaalsContact CG1-NH1 3.28Å
153	Y	94.1	Very high	93.3	Very high	3 Å²	3	42 Å²	42	1%	0.012	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	-11	177.5	66.8	-96.1	0	0	0	113.6	F135 S138 D151 I166 L168 V191 L192 T204	F135-Y153 HydrophobicContact CE2-CD2 4.27Å; F135-Y153 HydrophobicContact CE2-CE2 4.15Å; F135-Y153 HydrophobicContact CZ-CD2 4.19Å; F135-Y153 HydrophobicContact CZ-CE2 4.31Å; S138-Y153 PolarHBondContact N-O 3.1Å; D151-Y153 PolarHBondContact O-N 2.99Å; Y153-I166 HydrophobicContact CE1-CG2 3.74Å; Y153-I166 HydrophobicContact CE2-CB 4.46Å; Y153-I166 HydrophobicContact CE2-CG2 3.79Å; Y153-I166 PolarHBondContact N-O 3.3Å; Y153-I166 VanDerWaalsContact N-O 3.11Å; Y153-I166 WeakPolarHBondContact OH-CG2 2.93Å; Y153-L168 HydrophobicContact CD1-CB 4.38Å; Y153-V191 HydrophobicContact CE2-CB 4.42Å; Y153-V191 HydrophobicContact CE2-CG1 3.84Å; Y153-L192 HydrophobicContact CD1-CD2 4.01Å; Y153-L192 HydrophobicContact CD2-CB 4.35Å; Y153-L192 HydrophobicContact CD2-CD2 4.12Å; Y153-L192 HydrophobicContact CE1-CD2 4.19Å; Y153-L192 HydrophobicContact CE2-CB 4.09Å; Y153-L192 HydrophobicContact CE2-CD2 4.31Å; Y153-L192 HydrophobicContact CG-CD2 3.95Å; Y153-T204 PolarHBondContact OH-O 3.43Å
154	G	94.1	Very high	93.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.2	175	170.8	0	0	0	0	0	113.7	T136 I152 I166	T136-G154 CarbonylContact O-C 3.58Å; T136-G154 WeakPolarHBondContact O-CA 3.33Å; I152-G154 WeakPolarHBondContact CG2-O 3.48Å; G154-I166 PolarHBondContact O-N 3.37Å
155	V	95.9	Very high	93.7	Very high	39 Å²	39	37.5 Å²	37.5	24%	0.236	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	133.8	-177.9	-178	0	0	0	0	108.9	T136 K163 H164 K165	T136-V155 PolarHBondContact N-O 3.38Å; T136-V155 PolarHBondContact O-N 3.25Å; T136-V155 PolarHBondContact OG1-O 3.08Å; V155-K163 HydrophobicContact CG1-CB 4.05Å; V155-H164 WeakPolarHBondContact CA-O 3.47Å; V155-K165 HydrophobicContact CG2-CG 4.46Å
156	V	96.6	Very high	93.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	129.3	170.7	170	0	0	0	0	107.6	P92 W133 F135 E158 H164 I166 M205	P92-V156 HydrophobicContact CB-CG1 4.02Å; W133-V156 HydrophobicContact CB-CG1 3.73Å; W133-V156 HydrophobicContact CD2-CG1 4.24Å; W133-V156 HydrophobicContact CE3-CG1 4.04Å; W133-V156 HydrophobicContact CG-CG1 4.16Å; F135-V156 HydrophobicContact CB-CG2 3.73Å; F135-V156 HydrophobicContact CD2-CG2 4.06Å; F135-V156 HydrophobicContact CG-CG2 4.46Å; V156-E158 PolarHBondContact O-N 3.39Å; V156-H164 HydrophobicContact CB-CB 4.28Å; V156-H164 PolarHBondContact N-O 2.88Å; V156-H164 WeakPolarHBondContact O-CA 3.4Å; V156-H164 VanDerWaalsContact O-CB 3.29Å; V156-H164 WeakPolarHBondContact O-CB 3.09Å; V156-H164 PolarHBondContact O-N 3.1Å; V156-I166 HydrophobicContact CB-CD1 4.45Å; V156-I166 HydrophobicContact CG2-CD1 3.98Å; V156-I166 HydrophobicContact CG2-CG1 3.9Å; V156-M205 HydrophobicContact CG2-CE 4.44Å; V156-M205 HydrophobicContact CG2-SD 3.79Å
157	N	93.4	Very high	93.9	Very high	84 Å²	84	28.6 Å²	28.6	45%	0.449	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	95.7	171.2	-61.2	-38.6	0	0	0	108.1
158	E	92.5	Very high	93.9	Very high	12 Å²	12	28.3 Å²	28.3	6%	0.056	15%	0.153	C	C	.	.			trans	-70.1	-47.4	-179	-178.1	169.9	-164.8	0	0	110.4	G93 I94 M95 W133 V156 I162 H164	G93-E158 VanDerWaalsContact CA-OE1 3.3Å; G93-E158 WeakPolarHBondContact CA-OE1 3.28Å; G93-E158 PolarHBondContact N-OE1 3.28Å; I94-E158 PolarHBondContact N-OE1 3.13Å; M95-E158 HydrophobicContact CB-CG 4.28Å; M95-E158 WeakPolarHBondContact CG-OE2 3.32Å; M95-E158 PolarHBondContact N-OE1 3.35Å; W133-E158 HydrophobicContact CH2-CG 4.11Å; W133-E158 HydrophobicContact CZ3-CB 4.38Å; W133-E158 HydrophobicContact CZ3-CG 4.09Å; V156-E158 PolarHBondContact O-N 3.39Å; E158-I162 PolarHBondContact N-O 3.06Å; E158-H164 HydrophobicContact CB-CB 4.12Å; E158-H164 IonicContact OE2-CE1 3.88Å; E158-H164 IonicContact OE2-CG 2.61Å; E158-H164 IonicContact OE2-ND1 2.65Å; E158-H164 PolarHBondContact OE2-ND1 2.89Å
159	N	89.1	Confident	93.9	Very high	45 Å²	45	26.4 Å²	26.4	24%	0.241	14%	0.143	C	C	.	.	S	Bend	trans	-132.9	176.8	177.3	-73.7	-22.1	0	0	0	110.1	L161 I162 K307	N159-L161 PolarHBondContact O-N 3.46Å; N159-I162 PolarHBondContact N-O 3.17Å; N159-K307 HydrophobicContact CB-CB 4.23Å; N159-K307 HydrophobicContact CB-CD 4.48Å; N159-K307 WeakPolarHBondContact ND2-CA 3.46Å; N159-K307 PolarHBondContact ND2-O 2.95Å
160	S	88.9	Confident	93.8	Very high	78 Å²	78	27.4 Å²	27.4	55%	0.545	15%	0.149	S	C	.	.	S	Bend	trans	-60.6	-23	172.3	44.6	0	0	0	0	113.5	E303 K307	S160-E303 VanDerWaalsContact CB-OE1 3.26Å; S160-E303 WeakPolarHBondContact CB-OE1 3.49Å; S160-E303 PolarHBondContact OG-OE1 2.92Å; S160-E303 PolarHBondContact OG-OE2 3.09Å; S160-K307 PolarHBondContact OG-NZ 3.46Å
161	L	88.8	Confident	93.7	Very high	46 Å²	46	35.5 Å²	35.5	24%	0.241	18%	0.177	C	C	.	.	S	Bend	trans	-103.8	-45.5	-174.4	-161.9	143.9	0	0	0	113.5	N159 M296 V298 R308	N159-L161 PolarHBondContact O-N 3.46Å; L161-M296 HydrophobicContact CD1-CE 3.07Å; L161-M296 HydrophobicContact CD2-CE 4.41Å; L161-M296 HydrophobicContact CG-CE 4.35Å; L161-V298 HydrophobicContact CD1-CB 4.24Å; L161-V298 HydrophobicContact CD1-CG1 4.46Å; L161-V298 HydrophobicContact CD1-CG2 3.96Å; L161-R308 HydrophobicContact CD2-CB 4.18Å
162	I	93.1	Very high	93.6	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	18%	0.183	C	C	.	.			trans	-97.8	123.3	-173.7	-60.3	-64.1	0	0	0	110.4	M95 E158 N159 V271 R308 Y342	M95-I162 HydrophobicContact CE-CD1 4.49Å; M95-I162 HydrophobicContact CE-CG1 4.19Å; M95-I162 HydrophobicContact CE-CG2 3.97Å; M95-I162 HydrophobicContact CG-CG2 4.39Å; E158-I162 PolarHBondContact N-O 3.06Å; N159-I162 PolarHBondContact N-O 3.17Å; I162-V271 HydrophobicContact CD1-CG2 3.83Å; I162-R308 HydrophobicContact CD1-CB 4.25Å; I162-R308 HydrophobicContact CG1-CB 4.21Å; I162-Y342 HydrophobicContact CG2-CE2 4.4Å
163	K	94.5	Very high	93.5	Very high	126 Å²	126	42.9 Å²	42.9	55%	0.548	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	102.3	170.2	-65.2	-177.9	-179.9	172.5	0	108.4	V155 K165 Y342	V155-K163 HydrophobicContact CG1-CB 4.05Å; K163-K165 PolarHBondContact O-N 2.9Å; K163-K165 VanDerWaalsContact O-N 3.11Å; K163-Y342 PolarHBondContact N-OH 3.23Å; K163-Y342 PolarHBondContact O-OH 3.11Å
164	H	96.8	Very high	93.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	105.9	-178.8	-157.6	114.2	0	0	0	109.8	G91 V155 V156 E158 I166 Y336 F337 M340	G91-H164 PolarHBondContact O-CE1 3.4Å; V155-H164 WeakPolarHBondContact CA-O 3.47Å; V156-H164 HydrophobicContact CB-CB 4.28Å; V156-H164 PolarHBondContact N-O 2.88Å; V156-H164 WeakPolarHBondContact O-CA 3.4Å; V156-H164 VanDerWaalsContact O-CB 3.29Å; V156-H164 WeakPolarHBondContact O-CB 3.09Å; V156-H164 PolarHBondContact O-N 3.1Å; E158-H164 HydrophobicContact CB-CB 4.12Å; E158-H164 IonicContact OE2-CE1 3.88Å; E158-H164 IonicContact OE2-CG 2.61Å; E158-H164 IonicContact OE2-ND1 2.65Å; E158-H164 PolarHBondContact OE2-ND1 2.89Å; H164-I166 PolarHBondContact O-N 3.21Å; H164-Y336 AromaticContact CE1-CE1 3.69Å; H164-Y336 AromaticContact NE2-CE1 3.48Å; H164-Y336 WeakPolarHBondContact NE2-CE1 3.37Å; H164-Y336 AromaticContact NE2-CZ 3.51Å; H164-Y336 PolarHBondContact NE2-OH 3.03Å; H164-F337 AromaticContact CE1-CE1 3.97Å; H164-M340 WeakPolarHBondContact NE2-CE 3.44Å
165	K	95.8	Very high	93.6	Very high	49 Å²	49	45.2 Å²	45.2	21%	0.213	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	113.6	179.5	-67.8	157.7	179.4	170.8	0	108.5	I152 V155 K163 M167 M340	I152-K165 HydrophobicContact CD1-CB 3.9Å; I152-K165 HydrophobicContact CD1-CD 3.72Å; I152-K165 HydrophobicContact CD1-CG 3.96Å; I152-K165 HydrophobicContact CG1-CB 4.24Å; I152-K165 HydrophobicContact CG2-CB 4.19Å; V155-K165 HydrophobicContact CG2-CG 4.46Å; K163-K165 PolarHBondContact O-N 2.9Å; K163-K165 VanDerWaalsContact O-N 3.11Å; K165-M167 PolarHBondContact O-N 3.35Å; K165-M340 HydrophobicContact CB-CB 4.31Å; K165-M340 HydrophobicContact CB-CG 4.15Å; K165-M340 HydrophobicContact CB-SD 4.36Å; K165-M340 HydrophobicContact CD-CB 4.05Å; K165-M340 WeakPolarHBondContact CD-O 3.46Å; K165-M340 PolarHBondContact NZ-O 2.74Å
166	I	95.9	Very high	93.6	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	121.3	178.6	-50.1	-64.8	0	0	0	108.5	F135 I152 Y153 G154 V156 H164 M205	F135-I166 HydrophobicContact CD2-CG1 4.23Å; F135-I166 HydrophobicContact CE2-CG1 4.37Å; I152-I166 WeakPolarHBondContact CA-O 3.36Å; Y153-I166 HydrophobicContact CE1-CG2 3.74Å; Y153-I166 HydrophobicContact CE2-CB 4.46Å; Y153-I166 HydrophobicContact CE2-CG2 3.79Å; Y153-I166 PolarHBondContact N-O 3.3Å; Y153-I166 VanDerWaalsContact N-O 3.11Å; Y153-I166 WeakPolarHBondContact OH-CG2 2.93Å; G154-I166 PolarHBondContact O-N 3.37Å; V156-I166 HydrophobicContact CB-CD1 4.45Å; V156-I166 HydrophobicContact CG2-CD1 3.98Å; V156-I166 HydrophobicContact CG2-CG1 3.9Å; H164-I166 PolarHBondContact O-N 3.21Å; I166-M205 HydrophobicContact CD1-CB 4.31Å
167	M	95.1	Very high	93.5	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.02	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	147	-173.6	-63	173.9	-66.4	0	0	111.1	D151 I152 K165 Y336 D339 M340 R400	D151-M167 WeakPolarHBondContact O-CA 3.42Å; I152-M167 HydrophobicContact CG1-CG 4Å; K165-M167 PolarHBondContact O-N 3.35Å; M167-Y336 HydrophobicContact CE-CD2 4.02Å; M167-Y336 HydrophobicContact CE-CE2 3.71Å; M167-D339 HydrophobicContact CE-CB 3.93Å; M167-D339 HydrophobicContact SD-CB 4.06Å; M167-D339 VanDerWaalsContact SD-O 3.38Å; M167-M340 HydrophobicContact CE-CE 4.26Å; M167-M340 HydrophobicContact CE-CG 3.53Å; M167-M340 HydrophobicContact SD-CG 4.13Å; M167-R400 PolarHBondContact SD-NH1 2.79Å
168	L	95.3	Very high	93.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.218	C	C	.	.			trans	-68.8	139.6	171.9	-167.8	70.3	0	0	0	110.4	I147 T148 G150 D151 Y153 N172 L192 L194 F203	I147-L168 HydrophobicContact CD1-CB 4.48Å; I147-L168 HydrophobicContact CD1-CD2 4.48Å; I147-L168 HydrophobicContact CG1-CD2 4.31Å; I147-L168 HydrophobicContact CG2-CD2 4.13Å; T148-L168 WeakPolarHBondContact O-CD2 3.01Å; G150-L168 WeakPolarHBondContact CA-O 3.37Å; G150-L168 PolarHBondContact N-O 3.09Å; D151-L168 PolarHBondContact O-N 3.31Å; Y153-L168 HydrophobicContact CD1-CB 4.38Å; L168-N172 HydrophobicContact CD2-CB 4.28Å; L168-N172 WeakPolarHBondContact CD2-O 3.37Å; L168-N172 HydrophobicContact CG-CB 4.34Å; L168-L192 HydrophobicContact CD1-CD2 4Å; L168-L194 HydrophobicContact CD1-CD1 3.62Å; L168-L194 HydrophobicContact CD2-CD1 3.56Å; L168-L194 HydrophobicContact CG-CD1 4.26Å; L168-F203 HydrophobicContact CD1-CD1 3.83Å; L168-F203 HydrophobicContact CD1-CD2 4.1Å; L168-F203 HydrophobicContact CD1-CE1 3.79Å; L168-F203 HydrophobicContact CD1-CE2 4.07Å; L168-F203 HydrophobicContact CD1-CG 3.98Å; L168-F203 HydrophobicContact CD1-CZ 3.91Å
169	P	94.8	Very high	93.8	Very high	25 Å²	25	46.7 Å²	46.7	16%	0.162	22%	0.222	C	C	.	.			trans	-54.5	141.1	174.4	-27.5	36.3	0	0	0	112.3	G149 R171 N172 F203 Q207	G149-P169 WeakPolarHBondContact CA-O 3.25Å; P169-R171 VanDerWaalsContact C-N 3.25Å; P169-R171 PolarHBondContact O-N 2.91Å; P169-N172 PolarHBondContact O-N 3.32Å; P169-F203 HydrophobicContact CG-CD1 4.1Å; P169-F203 HydrophobicContact CG-CE1 3.99Å; P169-Q207 HydrophobicContact CG-CB 4.01Å
170	P	92.1	Very high	94	Very high	22 Å²	22	44.6 Å²	44.6	14%	0.143	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-21.8	-168.8	-27	33.5	0	0	0	117.2	W209 P216	P170-W209 HydrophobicContact CB-CZ3 4.4Å; P170-W209 HydrophobicContact CG-CH2 4.17Å; P170-W209 HydrophobicContact CG-CZ3 3.88Å; P170-P216 HydrophobicContact CB-CG 3.35Å; P170-P216 HydrophobicContact CG-CG 3.79Å
171	R	91.7	Very high	94.3	Very high	177 Å²	177	44.2 Å²	44.2	67%	0.668	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-7.3	-176.3	-64.9	-173.2	-177.1	175.2	5	113.5	P169	P169-R171 VanDerWaalsContact C-N 3.25Å; P169-R171 PolarHBondContact O-N 2.91Å
172	N	91.7	Very high	94.6	Very high	34 Å²	34	46.5 Å²	46.5	18%	0.182	23%	0.225	C	C	.	.			trans	-104	142.5	-170.7	-59.4	65.6	0	0	0	109.1	T148 G149 L168 P169 E201 F203	T148-N172 CarbonylContact C-O 3.59Å; G149-N172 WeakPolarHBondContact CA-O 3.2Å; G149-N172 PolarHBondContact N-O 2.86Å; L168-N172 HydrophobicContact CD2-CB 4.28Å; L168-N172 WeakPolarHBondContact CD2-O 3.37Å; L168-N172 HydrophobicContact CG-CB 4.34Å; P169-N172 PolarHBondContact O-N 3.32Å; N172-E201 PolarHBondContact ND2-OE1 3.32Å; N172-E201 PolarHBondContact ND2-OE2 3.16Å; N172-F203 HydrophobicContact CB-CE1 4.08Å; N172-F203 HydrophobicContact CB-CZ 3.78Å; N172-F203 WeakPolarHBondContact ND2-CZ 3.49Å
173	R	93.8	Very high	94.7	Very high	155 Å²	155	47.6 Å²	47.6	59%	0.585	24%	0.237	S	C	*	.			trans	-149.7	153	176.4	61.7	-177.8	-179.1	-172	-0.8	107.9	I147 F196	I147-R173 WeakPolarHBondContact O-CA 3.47Å; R173-F196 HydrophobicContact CG-CD2 3.99Å; R173-F196 HydrophobicContact CG-CE2 3.83Å; R173-F196 HydrophobicContact CG-CZ 4.29Å; R173-F196 VanDerWaalsContact NE-CZ 3.34Å; R173-F196 WeakPolarHBondContact O-CB 3.15Å; R173-F196 WeakPolarHBondContact O-CD2 3.11Å; R173-F196 WeakPolarHBondContact O-CG 3.39Å
174	G	94.3	Very high	94.8	Very high	7 Å²	7	46.1 Å²	46.1	7%	0.072	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.8	-172	179.7	0	0	0	0	0	113.3	I147 E195	I147-G174 PolarHBondContact N-O 3.38Å; I147-G174 PolarHBondContact O-N 3.25Å; G174-E195 WeakPolarHBondContact CA-O 3.47Å
175	T	95.6	Very high	94.7	Very high	44 Å²	44	48 Å²	48	27%	0.27	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	133.3	174.6	-48.9	0	0	0	0	109	G144 H146 T177 L194 E195	G144-T175 WeakPolarHBondContact O-CG2 3.3Å; H146-T175 PolarHBondContact CE1-OG1 2.93Å; H146-T175 PolarHBondContact ND1-OG1 3.37Å; H146-T175 VanDerWaalsContact ND1-OG1 3.13Å; T175-T177 PolarHBondContact O-N 3.14Å; T175-L194 WeakPolarHBondContact O-CA 3.31Å; T175-E195 PolarHBondContact N-O 3.08Å; T175-E195 PolarHBondContact O-N 3.18Å
176	V	95.8	Very high	94.6	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.012	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	120.5	-178.6	179.5	0	0	0	0	109.9	L141 G144 S145 I147 I179 L192 L194	L141-V176 HydrophobicContact CD1-CG2 4.17Å; L141-V176 HydrophobicContact CD2-CG2 4.23Å; L141-V176 HydrophobicContact CG-CG2 4.17Å; G144-V176 PolarHBondContact N-O 2.97Å; S145-V176 WeakPolarHBondContact O-CG2 3.44Å; S145-V176 PolarHBondContact O-N 3.28Å; I147-V176 HydrophobicContact CB-CG2 4.32Å; I147-V176 HydrophobicContact CG2-CG2 3.95Å; V176-I179 HydrophobicContact CG1-CB 4.33Å; V176-L192 HydrophobicContact CG1-CD1 3.88Å; V176-L192 HydrophobicContact CG2-CD1 4.28Å; V176-L194 HydrophobicContact CB-CD2 4.23Å; V176-L194 HydrophobicContact CG2-CD2 3.72Å
177	T	95.3	Very high	94.4	Very high	36 Å²	36	47.4 Å²	47.4	22%	0.221	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	-35.3	175.4	58.6	0	0	0	0	112.1	V143 T175 E193 E195	V143-T177 VanDerWaalsContact CG1-O 3.26Å; V143-T177 WeakPolarHBondContact CG1-O 3.41Å; T175-T177 PolarHBondContact O-N 3.14Å; T177-E193 PolarHBondContact N-O 3Å; T177-E193 WeakPolarHBondContact OG1-CB 3.38Å; T177-E193 PolarHBondContact OG1-O 2.99Å; T177-E195 HydrophobicContact CG2-CB 3.52Å
178	Y	95.4	Very high	94.3	Very high	98 Å²	98	49.7 Å²	49.7	38%	0.384	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	140.9	176.8	169.6	-99.5	0	0	0	110	A180 E193	Y178-A180 HydrophobicContact CE1-CB 4.41Å; Y178-E193 HydrophobicContact CD1-CG 4.09Å; Y178-E193 PolarHBondContact N-O 3.2Å; Y178-E193 PolarHBondContact O-N 3.38Å
179	I	95.1	Very high	94.2	Very high	30 Å²	30	52.6 Å²	52.6	15%	0.154	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	133.8	171	-171.2	170.4	0	0	0	108.3	P137 L141 V176 L192	P137-I179 HydrophobicContact CB-CD1 3.66Å; P137-I179 HydrophobicContact CB-CG1 4.13Å; L141-I179 HydrophobicContact CB-CD1 4.36Å; L141-I179 HydrophobicContact CD2-CD1 3.84Å; L141-I179 HydrophobicContact CG-CD1 4.39Å; V176-I179 HydrophobicContact CG1-CB 4.33Å; I179-L192 HydrophobicContact CB-CD1 4.16Å; I179-L192 HydrophobicContact CD1-CD1 4.42Å; I179-L192 HydrophobicContact CG1-CD1 4.16Å
180	A	94.6	Very high	94.3	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.008	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-66.3	139.8	179.8	0	0	0	0	0	111.3	Y178 Y185 V191	Y178-A180 HydrophobicContact CE1-CB 4.41Å; A180-Y185 HydrophobicContact CB-CE1 4.33Å; A180-Y185 HydrophobicContact CB-CE2 4.32Å; A180-V191 HydrophobicContact CB-CG1 4.21Å; A180-V191 PolarHBondContact N-O 2.89Å
181	P	94.7	Very high	94.4	Very high	71 Å²	71	52.8 Å²	52.8	46%	0.461	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-65.2	166.4	173.2	28	-33.5	0	0	0	111.3	G183 Y185	P181-G183 PolarHBondContact O-N 3.32Å; P181-Y185 WeakPolarHBondContact CD-OH 3.43Å; P181-Y185 WeakPolarHBondContact CG-OH 3.43Å; P181-Y185 VanDerWaalsContact O-CE2 3.26Å; P181-Y185 WeakPolarHBondContact O-CE2 3.3Å; P181-Y185 PolarHBondContact O-OH 3.37Å; P181-Y185 VanDerWaalsContact O-OH 3.12Å
182	P	95.6	Very high	94.5	Very high	93 Å²	93	44.3 Å²	44.3	60%	0.604	24%	0.241	S	C	*	.	S	Bend	trans	-63.1	133.2	173.5	27	-34	0	0	0	110.7	F135	F135-P182 WeakPolarHBondContact O-CA 3.26Å; F135-P182 WeakPolarHBondContact O-CB 3.43Å
183	G	94.8	Very high	94.7	Very high	25 Å²	25	44.8 Å²	44.8	26%	0.258	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	174	179.3	-173.2	0	0	0	0	0	113.6	F135 P181 Y185	F135-G183 VanDerWaalsContact CA-O 3.26Å; F135-G183 WeakPolarHBondContact CA-O 3.4Å; F135-G183 PolarHBondContact N-O 2.95Å; F135-G183 PolarHBondContact O-N 3.45Å; F135-G183 VanDerWaalsContact O-N 3.14Å; P181-G183 PolarHBondContact O-N 3.32Å; G183-Y185 VanDerWaalsContact O-CD2 3.28Å; G183-Y185 WeakPolarHBondContact O-CD2 3.45Å
184	N	95.9	Very high	94.8	Very high	95 Å²	95	37.6 Å²	37.6	51%	0.508	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	117.2	177.5	-86.8	-83	0	0	0	110.4	K132 W133 D134	K132-N184 HydrophobicContact CB-CB 4.4Å; W133-N184 WeakPolarHBondContact O-CA 3.21Å; D134-N184 PolarHBondContact OD1-ND2 3.15Å; D134-N184 PolarHBondContact OD1-OD1 2.92Å
185	Y	95.2	Very high	94.9	Very high	40 Å²	40	40.8 Å²	40.8	16%	0.157	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	151.1	-177.7	-63.6	-81.5	0	0	0	110.5	K132 W133 A180 P181 G183 D189 M205	K132-Y185 CarbonylContact C-O 3.52Å; K132-Y185 WeakPolarHBondContact CA-O 3.38Å; W133-Y185 PolarHBondContact N-O 3.44Å; W133-Y185 PolarHBondContact O-N 3.08Å; A180-Y185 HydrophobicContact CB-CE1 4.33Å; A180-Y185 HydrophobicContact CB-CE2 4.32Å; P181-Y185 WeakPolarHBondContact CD-OH 3.43Å; P181-Y185 WeakPolarHBondContact CG-OH 3.43Å; P181-Y185 VanDerWaalsContact O-CE2 3.26Å; P181-Y185 WeakPolarHBondContact O-CE2 3.3Å; P181-Y185 PolarHBondContact O-OH 3.37Å; P181-Y185 VanDerWaalsContact O-OH 3.12Å; G183-Y185 VanDerWaalsContact O-CD2 3.28Å; G183-Y185 WeakPolarHBondContact O-CD2 3.45Å; Y185-D189 WeakPolarHBondContact CA-OD2 3.26Å; Y185-D189 HydrophobicContact CD1-CB 4.01Å; Y185-M205 HydrophobicContact CD2-CE 4.31Å; Y185-M205 HydrophobicContact CG-CE 4.24Å
186	D	94.3	Very high	94.7	Very high	36 Å²	36	42.5 Å²	42.5	19%	0.193	23%	0.232	C	C	.	.			trans	-84.7	179.3	168.9	70.4	36.9	0	0	0	111.6	R129 S188 D189	R129-D186 WeakPolarHBondContact O-CB 3.4Å; D186-S188 PolarHBondContact O-N 3.38Å; D186-S188 VanDerWaalsContact OD1-CA 3.25Å; D186-S188 WeakPolarHBondContact OD1-CA 3.4Å; D186-S188 VanDerWaalsContact OD1-CB 3.29Å; D186-S188 WeakPolarHBondContact OD1-CB 3.33Å; D186-S188 PolarHBondContact OD1-N 3.11Å; D186-D189 PolarHBondContact N-OD2 3.39Å; D186-D189 VanDerWaalsContact OD1-CG 3.24Å; D186-D189 PolarHBondContact OD1-N 2.72Å
187	T	91.5	Very high	94.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.269	C	S	.	.	S	Bend	trans	-76.7	-9.2	179.8	52.9	0	0	0	0	114	P92 S128 R129 V206	P92-T187 HydrophobicContact CG-CG2 4.31Å; S128-T187 PolarHBondContact O-OG1 3.24Å; S128-T187 VanDerWaalsContact O-OG1 3.05Å; R129-T187 WeakPolarHBondContact CD-OG1 3.49Å; R129-T187 PolarHBondContact NH1-O 3.44Å; R129-T187 VanDerWaalsContact NH1-O 3.08Å; R129-T187 PolarHBondContact NH1-OG1 3.05Å; R129-T187 VanDerWaalsContact NH1-OG1 3.16Å; T187-V206 HydrophobicContact CG2-CG1 4.04Å
188	S	92.1	Very high	94.2	Very high	52 Å²	52	51.6 Å²	51.6	36%	0.364	29%	0.288	S	S	.	.	S	Bend	trans	-100.4	-21.8	-178.7	-51.2	0	0	0	0	112.8	D186 T204	D186-S188 PolarHBondContact O-N 3.38Å; D186-S188 VanDerWaalsContact OD1-CA 3.25Å; D186-S188 WeakPolarHBondContact OD1-CA 3.4Å; D186-S188 VanDerWaalsContact OD1-CB 3.29Å; D186-S188 WeakPolarHBondContact OD1-CB 3.33Å; D186-S188 PolarHBondContact OD1-N 3.11Å; S188-T204 WeakPolarHBondContact O-CG2 3.4Å
189	D	94.8	Very high	94.1	Very high	61 Å²	61	51.9 Å²	51.9	33%	0.326	30%	0.3	S	S	.	.	S	Bend	trans	-61	139.6	177.9	-75.2	-32.7	0	0	0	111.1	Y185 D186 V191	Y185-D189 WeakPolarHBondContact CA-OD2 3.26Å; Y185-D189 HydrophobicContact CD1-CB 4.01Å; D186-D189 PolarHBondContact N-OD2 3.39Å; D186-D189 VanDerWaalsContact OD1-CG 3.24Å; D186-D189 PolarHBondContact OD1-N 2.72Å; D189-V191 PolarHBondContact O-N 3.35Å
190	V	95.6	Very high	94	Very high	51 Å²	51	56.7 Å²	56.7	31%	0.309	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	117.6	178.8	-179.9	0	0	0	0	108.9	E193 K202	V190-E193 HydrophobicContact CG1-CG 4.02Å; V190-K202 HydrophobicContact CG1-CB 3.97Å; V190-K202 HydrophobicContact CG1-CD 4.38Å; V190-K202 HydrophobicContact CG1-CG 4.39Å; V190-K202 HydrophobicContact CG2-CB 4.38Å; V190-K202 HydrophobicContact CG2-CD 4.25Å
191	V	94.9	Very high	94	Very high	0 Å²	0	61 Å²	61	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	-29.7	-175.5	-178.2	0	0	0	0	111.9	F135 Y153 A180 D189 F203 M205	F135-V191 HydrophobicContact CD1-CG1 4.06Å; F135-V191 HydrophobicContact CD2-CG1 4.13Å; F135-V191 HydrophobicContact CE1-CG1 3.44Å; F135-V191 VanDerWaalsContact CE1-CG1 3.44Å; F135-V191 HydrophobicContact CE2-CG1 3.52Å; F135-V191 HydrophobicContact CG-CG1 4.4Å; F135-V191 HydrophobicContact CZ-CG1 3.15Å; Y153-V191 HydrophobicContact CE2-CB 4.42Å; Y153-V191 HydrophobicContact CE2-CG1 3.84Å; A180-V191 HydrophobicContact CB-CG1 4.21Å; A180-V191 PolarHBondContact N-O 2.89Å; D189-V191 PolarHBondContact O-N 3.35Å; V191-F203 PolarHBondContact N-O 2.89Å; V191-M205 HydrophobicContact CG2-CE 3.83Å; V191-M205 HydrophobicContact CG2-CG 3.67Å
192	L	94.6	Very high	94.1	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	136.1	-175	-174.6	76	0	0	0	110.7	I147 Y153 L168 V176 I179 L194 F203	I147-L192 HydrophobicContact CD1-CD2 4.46Å; Y153-L192 HydrophobicContact CD1-CD2 4.01Å; Y153-L192 HydrophobicContact CD2-CB 4.35Å; Y153-L192 HydrophobicContact CD2-CD2 4.12Å; Y153-L192 HydrophobicContact CE1-CD2 4.19Å; Y153-L192 HydrophobicContact CE2-CB 4.09Å; Y153-L192 HydrophobicContact CE2-CD2 4.31Å; Y153-L192 HydrophobicContact CG-CD2 3.95Å; L168-L192 HydrophobicContact CD1-CD2 4Å; V176-L192 HydrophobicContact CG1-CD1 3.88Å; V176-L192 HydrophobicContact CG2-CD1 4.28Å; I179-L192 HydrophobicContact CB-CD1 4.16Å; I179-L192 HydrophobicContact CD1-CD1 4.42Å; I179-L192 HydrophobicContact CG1-CD1 4.16Å; L192-L194 HydrophobicContact CD1-CD2 4.22Å; L192-L194 HydrophobicContact CD2-CD1 4.31Å; L192-L194 HydrophobicContact CD2-CD2 3.87Å; L192-L194 HydrophobicContact CD2-CG 4.09Å; L192-L194 HydrophobicContact CG-CD2 3.88Å; L192-L194 HydrophobicContact CG-CG 4.25Å; L192-F203 HydrophobicContact CB-CB 4.21Å; L192-F203 PolarHBondContact N-O 3.16Å; L192-F203 PolarHBondContact O-N 3.44Å
193	E	96	Very high	94.1	Very high	43 Å²	43	60.5 Å²	60.5	20%	0.201	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	125.9	169.5	-57.9	-171.2	156.2	0	0	110.1	T177 Y178 V190 E201 K202	T177-E193 PolarHBondContact N-O 3Å; T177-E193 WeakPolarHBondContact OG1-CB 3.38Å; T177-E193 PolarHBondContact OG1-O 2.99Å; Y178-E193 HydrophobicContact CD1-CG 4.09Å; Y178-E193 PolarHBondContact N-O 3.2Å; Y178-E193 PolarHBondContact O-N 3.38Å; V190-E193 HydrophobicContact CG1-CG 4.02Å; E193-E201 WeakPolarHBondContact CA-O 3.44Å; E193-K202 HydrophobicContact CG-CG 4.18Å; E193-K202 WeakPolarHBondContact OE1-CE 3.48Å; E193-K202 IonicContact OE1-NZ 3.18Å; E193-K202 PolarHBondContact OE1-NZ 3.12Å
194	L	94.9	Very high	94.1	Very high	5 Å²	5	60.9 Å²	60.9	3%	0.026	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	144.9	179	-57.4	-174.3	0	0	0	110.8	I147 L168 T175 V176 L192 K200 E201 F203	I147-L194 HydrophobicContact CG2-CD1 3.62Å; I147-L194 HydrophobicContact CG2-CD2 3.51Å; I147-L194 HydrophobicContact CG2-CG 4.24Å; L168-L194 HydrophobicContact CD1-CD1 3.62Å; L168-L194 HydrophobicContact CD2-CD1 3.56Å; L168-L194 HydrophobicContact CG-CD1 4.26Å; T175-L194 WeakPolarHBondContact O-CA 3.31Å; V176-L194 HydrophobicContact CB-CD2 4.23Å; V176-L194 HydrophobicContact CG2-CD2 3.72Å; L192-L194 HydrophobicContact CD1-CD2 4.22Å; L192-L194 HydrophobicContact CD2-CD1 4.31Å; L192-L194 HydrophobicContact CD2-CD2 3.87Å; L192-L194 HydrophobicContact CD2-CG 4.09Å; L192-L194 HydrophobicContact CG-CD2 3.88Å; L192-L194 HydrophobicContact CG-CG 4.25Å; L194-K200 CarbonylContact O-C 3.49Å; L194-K200 WeakPolarHBondContact O-CA 3.33Å; L194-E201 PolarHBondContact N-O 3.42Å; L194-E201 PolarHBondContact O-N 2.78Å; L194-F203 HydrophobicContact CB-CE2 3.99Å; L194-F203 HydrophobicContact CD1-CD2 4.23Å; L194-F203 HydrophobicContact CD1-CE2 3.68Å; L194-F203 HydrophobicContact CD1-CZ 4.25Å; L194-F203 HydrophobicContact CG-CD2 4.04Å; L194-F203 HydrophobicContact CG-CE2 3.75Å
195	E	95.6	Very high	94	Very high	74 Å²	74	56.5 Å²	56.5	35%	0.346	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	126.4	171.2	-174.4	171.6	169.1	0	0	110.2	G174 T175 T177 V199 K200	G174-E195 WeakPolarHBondContact CA-O 3.47Å; T175-E195 PolarHBondContact N-O 3.08Å; T175-E195 PolarHBondContact O-N 3.18Å; T177-E195 HydrophobicContact CG2-CB 3.52Å; E195-V199 WeakPolarHBondContact CA-O 3.3Å; E195-K200 HydrophobicContact CB-CG 4.29Å; E195-K200 HydrophobicContact CG-CG 4.26Å; E195-K200 VanDerWaalsContact OE2-CE 3.29Å; E195-K200 WeakPolarHBondContact OE2-CE 3.48Å
196	F	92.8	Very high	94	Very high	79 Å²	79	55.1 Å²	55.1	35%	0.346	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	123.2	174.6	-172.9	-101.6	0	0	0	108.9	R173 G198 V199	R173-F196 HydrophobicContact CG-CD2 3.99Å; R173-F196 HydrophobicContact CG-CE2 3.83Å; R173-F196 HydrophobicContact CG-CZ 4.29Å; R173-F196 VanDerWaalsContact NE-CZ 3.34Å; R173-F196 WeakPolarHBondContact O-CB 3.15Å; R173-F196 WeakPolarHBondContact O-CD2 3.11Å; R173-F196 WeakPolarHBondContact O-CG 3.39Å; F196-G198 PolarHBondContact O-N 3.28Å; F196-G198 VanDerWaalsContact O-N 3.11Å; F196-V199 PolarHBondContact N-O 3.39Å; F196-V199 PolarHBondContact O-N 2.87Å
197	E	91.5	Very high	94	Very high	169 Å²	169	54 Å²	54	79%	0.79	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	35.4	179.6	-63.4	178.4	-179.1	0	0	114.2	V199	E197-V199 VanDerWaalsContact C-N 3.28Å; E197-V199 PolarHBondContact O-N 2.99Å
198	G	88.1	Confident	94.1	Very high	60 Å²	60	56.8 Å²	56.8	62%	0.619	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.7	-0	180	0	0	0	0	0	115.1	F196	F196-G198 PolarHBondContact O-N 3.28Å; F196-G198 VanDerWaalsContact O-N 3.11Å
199	V	93.7	Very high	94.3	Very high	104 Å²	104	54.9 Å²	54.9	63%	0.63	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	125.7	172.9	-176.5	0	0	0	0	109.3	E195 F196 E197	E195-V199 WeakPolarHBondContact CA-O 3.3Å; F196-V199 PolarHBondContact N-O 3.39Å; F196-V199 PolarHBondContact O-N 2.87Å; E197-V199 VanDerWaalsContact C-N 3.28Å; E197-V199 PolarHBondContact O-N 2.99Å
200	K	94.1	Very high	94.3	Very high	131 Å²	131	53.2 Å²	53.2	57%	0.57	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	122.6	174.7	-66.6	-169.6	177.9	-170.9	0	110.8	L194 E195	L194-K200 CarbonylContact O-C 3.49Å; L194-K200 WeakPolarHBondContact O-CA 3.33Å; E195-K200 HydrophobicContact CB-CG 4.29Å; E195-K200 HydrophobicContact CG-CG 4.26Å; E195-K200 VanDerWaalsContact OE2-CE 3.29Å; E195-K200 WeakPolarHBondContact OE2-CE 3.48Å
201	E	94.6	Very high	94.3	Very high	93 Å²	93	50.8 Å²	50.8	44%	0.435	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	137.7	178.8	-166.1	177.4	-172.2	0	0	110.7	N172 E193 L194 F203	N172-E201 PolarHBondContact ND2-OE1 3.32Å; N172-E201 PolarHBondContact ND2-OE2 3.16Å; E193-E201 WeakPolarHBondContact CA-O 3.44Å; L194-E201 PolarHBondContact N-O 3.42Å; L194-E201 PolarHBondContact O-N 2.78Å; E201-F203 HydrophobicContact CB-CE2 3.89Å; E201-F203 HydrophobicContact CB-CZ 4.22Å; E201-F203 VanDerWaalsContact CD-CZ 3.43Å; E201-F203 HydrophobicContact CG-CE2 3.87Å; E201-F203 HydrophobicContact CG-CZ 3.82Å; E201-F203 VanDerWaalsContact OE2-CZ 3.32Å; E201-F203 WeakPolarHBondContact OE2-CZ 3.44Å
202	K	95.8	Very high	94.2	Very high	138 Å²	138	53.8 Å²	53.8	60%	0.6	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.8	132.1	-177.9	-58.8	-169.4	177.8	-163.1	0	110.2	V190 E193	V190-K202 HydrophobicContact CG1-CB 3.97Å; V190-K202 HydrophobicContact CG1-CD 4.38Å; V190-K202 HydrophobicContact CG1-CG 4.39Å; V190-K202 HydrophobicContact CG2-CB 4.38Å; V190-K202 HydrophobicContact CG2-CD 4.25Å; E193-K202 HydrophobicContact CG-CG 4.18Å; E193-K202 WeakPolarHBondContact OE1-CE 3.48Å; E193-K202 IonicContact OE1-NZ 3.18Å; E193-K202 PolarHBondContact OE1-NZ 3.12Å
203	F	95.1	Very high	94.1	Very high	14 Å²	14	57.6 Å²	57.6	6%	0.061	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	136.1	179.6	-62.8	-89.8	0	0	0	111.1	L168 P169 N172 V191 L192 L194 E201	L168-F203 HydrophobicContact CD1-CD1 3.83Å; L168-F203 HydrophobicContact CD1-CD2 4.1Å; L168-F203 HydrophobicContact CD1-CE1 3.79Å; L168-F203 HydrophobicContact CD1-CE2 4.07Å; L168-F203 HydrophobicContact CD1-CG 3.98Å; L168-F203 HydrophobicContact CD1-CZ 3.91Å; P169-F203 HydrophobicContact CG-CD1 4.1Å; P169-F203 HydrophobicContact CG-CE1 3.99Å; N172-F203 HydrophobicContact CB-CE1 4.08Å; N172-F203 HydrophobicContact CB-CZ 3.78Å; N172-F203 WeakPolarHBondContact ND2-CZ 3.49Å; V191-F203 PolarHBondContact N-O 2.89Å; L192-F203 HydrophobicContact CB-CB 4.21Å; L192-F203 PolarHBondContact N-O 3.16Å; L192-F203 PolarHBondContact O-N 3.44Å; L194-F203 HydrophobicContact CB-CE2 3.99Å; L194-F203 HydrophobicContact CD1-CD2 4.23Å; L194-F203 HydrophobicContact CD1-CE2 3.68Å; L194-F203 HydrophobicContact CD1-CZ 4.25Å; L194-F203 HydrophobicContact CG-CD2 4.04Å; L194-F203 HydrophobicContact CG-CE2 3.75Å; E201-F203 HydrophobicContact CB-CE2 3.89Å; E201-F203 HydrophobicContact CB-CZ 4.22Å; E201-F203 VanDerWaalsContact CD-CZ 3.43Å; E201-F203 HydrophobicContact CG-CE2 3.87Å; E201-F203 HydrophobicContact CG-CZ 3.82Å; E201-F203 VanDerWaalsContact OE2-CZ 3.32Å; E201-F203 WeakPolarHBondContact OE2-CZ 3.44Å
204	T	95.8	Very high	94.1	Very high	33 Å²	33	59.5 Å²	59.5	20%	0.202	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	175.9	171.8	54.1	0	0	0	0	110	Y153 S188 V206	Y153-T204 PolarHBondContact OH-O 3.43Å; S188-T204 WeakPolarHBondContact O-CG2 3.4Å; T204-V206 PolarHBondContact O-N 3.34Å; T204-V206 WeakPolarHBondContact OG1-CG2 3.47Å; T204-V206 PolarHBondContact OG1-O 3.31Å
205	M	94.1	Very high	94.1	Very high	3 Å²	3	59.5 Å²	59.5	2%	0.015	30%	0.304	C	S	.	.	S	Bend	trans	-65.2	-26.2	172.6	-62.9	-167.5	-166.6	0	0	113.5	P92 F135 V156 I166 Y185 V191	P92-M205 HydrophobicContact CG-CB 4.3Å; P92-M205 HydrophobicContact CG-SD 4.18Å; F135-M205 HydrophobicContact CB-CE 3.59Å; F135-M205 HydrophobicContact CD2-CE 4.11Å; F135-M205 HydrophobicContact CG-CE 3.91Å; V156-M205 HydrophobicContact CG2-CE 4.44Å; V156-M205 HydrophobicContact CG2-SD 3.79Å; I166-M205 HydrophobicContact CD1-CB 4.31Å; Y185-M205 HydrophobicContact CD2-CE 4.31Å; Y185-M205 HydrophobicContact CG-CE 4.24Å; V191-M205 HydrophobicContact CG2-CE 3.83Å; V191-M205 HydrophobicContact CG2-CG 3.67Å
206	V	95.1	Very high	94.2	Very high	11 Å²	11	58.3 Å²	58.3	7%	0.067	30%	0.303	C	S	.	.			trans	-91.1	139.8	178.7	-58.8	0	0	0	0	111.2	L90 L127 T187 T204	L90-V206 CarbonylContact O-C 3.55Å; L90-V206 WeakPolarHBondContact O-CA 3.5Å; L127-V206 HydrophobicContact CD1-CG1 3.73Å; T187-V206 HydrophobicContact CG2-CG1 4.04Å; T204-V206 PolarHBondContact O-N 3.34Å; T204-V206 WeakPolarHBondContact OG1-CG2 3.47Å; T204-V206 PolarHBondContact OG1-O 3.31Å
207	Q	94.1	Very high	94.3	Very high	13 Å²	13	56.5 Å²	56.5	6%	0.061	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	153	169.2	67.9	-174.6	-80.8	0	0	110	L90 P169	L90-Q207 HydrophobicContact CB-CG 3.73Å; L90-Q207 HydrophobicContact CD1-CG 4.26Å; L90-Q207 HydrophobicContact CG-CG 4.48Å; L90-Q207 PolarHBondContact N-O 3.16Å; L90-Q207 PolarHBondContact O-N 3.25Å; P169-Q207 HydrophobicContact CG-CB 4.01Å
208	I	93.2	Very high	94.5	Very high	59 Å²	59	52.3 Å²	52.3	30%	0.303	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	129.4	178.8	-60.6	171.7	0	0	0	108	M1 F3 V88	M1-I208 HydrophobicContact CB-CD1 4.17Å; M1-I208 WeakPolarHBondContact O-CD1 2.92Å; F3-I208 HydrophobicContact CE2-CD1 4.19Å; F3-I208 HydrophobicContact CE2-CG1 4.33Å; F3-I208 HydrophobicContact CZ-CG2 4.43Å; V88-I208 WeakPolarHBondContact O-CA 3.3Å
209	W	95.4	Very high	94.9	Very high	12 Å²	12	54.1 Å²	54.1	5%	0.045	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	132.7	179.7	-168.4	-95.1	0	0	0	112.5	S87 V88 L90 P170 V211 Q213 R215 P216 T332	S87-W209 CarbonylContact C-O 3.59Å; S87-W209 VanDerWaalsContact CA-O 3.24Å; S87-W209 WeakPolarHBondContact CA-O 3.4Å; S87-W209 WeakPolarHBondContact CB-O 3.32Å; V88-W209 PolarHBondContact N-O 2.79Å; V88-W209 PolarHBondContact O-N 3.12Å; L90-W209 HydrophobicContact CD1-CB 3.63Å; L90-W209 HydrophobicContact CD1-CG 4.42Å; L90-W209 HydrophobicContact CG-CB 4.49Å; P170-W209 HydrophobicContact CB-CZ3 4.4Å; P170-W209 HydrophobicContact CG-CH2 4.17Å; P170-W209 HydrophobicContact CG-CZ3 3.88Å; W209-V211 PolarHBondContact O-N 3.18Å; W209-Q213 HydrophobicContact CZ2-CG 4.14Å; W209-Q213 PolarHBondContact NE1-O 2.95Å; W209-R215 HydrophobicContact CD2-CG 4.17Å; W209-R215 HydrophobicContact CG-CG 4.29Å; W209-R215 HydrophobicContact CZ2-CB 4.48Å; W209-R215 HydrophobicContact CZ2-CG 4.06Å; W209-P216 HydrophobicContact CH2-CG 4.32Å; W209-T332 HydrophobicContact CB-CG2 4.48Å; W209-T332 HydrophobicContact CG-CG2 4.4Å
210	P	95.7	Very high	95	Very high	26 Å²	26	55.1 Å²	55.1	17%	0.169	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	129	175.5	-21.8	33.7	0	0	0	112.6	P85 L86 R212 Q213	P85-P210 HydrophobicContact CG-CB 3.89Å; P85-P210 HydrophobicContact CG-CG 3.98Å; L86-P210 WeakPolarHBondContact O-CA 3.49Å; P210-R212 VanDerWaalsContact C-N 3.32Å; P210-R212 PolarHBondContact O-N 3.48Å; P210-Q213 HydrophobicContact CB-CB 4.13Å; P210-Q213 PolarHBondContact O-N 2.9Å
211	V	95	Very high	95	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-27.3	-172.7	-59.7	0	0	0	0	114	L86 V88 W209 Q213 T332 R388	L86-V211 HydrophobicContact CB-CG2 4.19Å; L86-V211 HydrophobicContact CD2-CG2 3.74Å; L86-V211 HydrophobicContact CG-CG2 3.84Å; L86-V211 PolarHBondContact O-N 3.36Å; V88-V211 HydrophobicContact CB-CG1 4.15Å; V88-V211 HydrophobicContact CG1-CG1 3.33Å; V88-V211 HydrophobicContact CG2-CG1 3.88Å; W209-V211 PolarHBondContact O-N 3.18Å; V211-Q213 VanDerWaalsContact C-N 3.31Å; V211-T332 WeakPolarHBondContact CA-OG1 3.35Å; V211-T332 PolarHBondContact O-OG1 2.86Å; V211-R388 PolarHBondContact O-NH1 3.34Å
212	R	92.4	Very high	95.1	Very high	63 Å²	63	51.3 Å²	51.3	24%	0.238	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-8.6	179	-61.5	-174.2	-178.3	-85.3	9.4	112.9	E53 P210 E324 Y328	E53-R212 IonicContact OE1-CZ 3.63Å; E53-R212 IonicContact OE1-NE 3.8Å; E53-R212 PolarHBondContact OE1-NE 3.12Å; E53-R212 IonicContact OE1-NH2 2.71Å; E53-R212 PolarHBondContact OE1-NH2 3.41Å; E53-R212 IonicContact OE2-CZ 3.91Å; E53-R212 IonicContact OE2-NE 3.6Å; E53-R212 IonicContact OE2-NH2 3.88Å; E53-R212 PolarHBondContact OE2-NH2 2.68Å; P210-R212 VanDerWaalsContact C-N 3.32Å; P210-R212 PolarHBondContact O-N 3.48Å; R212-E324 IonicContact CZ-OE1 2.72Å; R212-E324 IonicContact NH1-OE1 3.04Å; R212-E324 PolarHBondContact NH1-OE1 2.96Å; R212-E324 IonicContact NH2-OE1 3.6Å; R212-E324 PolarHBondContact NH2-OE1 3.34Å; R212-Y328 VanDerWaalsContact NH1-CE2 3.27Å
213	Q	93.8	Very high	95	Very high	80 Å²	80	45.6 Å²	45.6	37%	0.374	25%	0.245	S	C	.	.	S	Bend	trans	-100.7	125.9	179.4	-173.2	165.2	11.6	0	0	111	W209 P210 V211 R215	W209-Q213 HydrophobicContact CZ2-CG 4.14Å; W209-Q213 PolarHBondContact NE1-O 2.95Å; P210-Q213 HydrophobicContact CB-CB 4.13Å; P210-Q213 PolarHBondContact O-N 2.9Å; V211-Q213 VanDerWaalsContact C-N 3.31Å; Q213-R215 PolarHBondContact O-N 3.04Å
214	V	96.1	Very high	94.9	Very high	83 Å²	83	48.2 Å²	48.2	50%	0.503	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-62.7	132.4	175.1	-175.6	0	0	0	0	109.7	R388	V214-R388 HydrophobicContact CG1-CG 4.42Å; V214-R388 HydrophobicContact CG2-CG 4.01Å
215	R	95.1	Very high	94.9	Very high	5 Å²	5	49.5 Å²	49.5	2%	0.019	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-68.5	130.2	174.8	-71.6	-173.5	61.3	89.2	4.5	110.9	W209 Q213 E335 D339	W209-R215 HydrophobicContact CD2-CG 4.17Å; W209-R215 HydrophobicContact CG-CG 4.29Å; W209-R215 HydrophobicContact CZ2-CB 4.48Å; W209-R215 HydrophobicContact CZ2-CG 4.06Å; Q213-R215 PolarHBondContact O-N 3.04Å; R215-E335 HydrophobicContact CB-CB 4.16Å; R215-E335 WeakPolarHBondContact CB-OE2 3.46Å; R215-E335 HydrophobicContact CG-CB 4.14Å; R215-E335 WeakPolarHBondContact CG-OE2 3.43Å; R215-E335 PolarHBondContact N-OE2 2.86Å; R215-E335 VanDerWaalsContact N-OE2 3.11Å; R215-D339 IonicContact CZ-OD2 3.36Å; R215-D339 VanDerWaalsContact CZ-OD2 3.24Å; R215-D339 IonicContact NE-OD2 3.17Å; R215-D339 PolarHBondContact NE-OD2 3.1Å; R215-D339 IonicContact NH2-OD2 2.73Å; R215-D339 PolarHBondContact NH2-OD2 3.44Å
216	P	96	Very high	95	Very high	49 Å²	49	49.5 Å²	49.5	32%	0.318	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-68.1	144.1	-177.9	29.8	-36	0	0	0	111.3	P170 W209 L395	P170-P216 HydrophobicContact CB-CG 3.35Å; P170-P216 HydrophobicContact CG-CG 3.79Å; W209-P216 HydrophobicContact CH2-CG 4.32Å; P216-L395 HydrophobicContact CB-CD1 4.48Å
217	V	95.9	Very high	95	Very high	41 Å²	41	49 Å²	49	25%	0.248	26%	0.261	C	S	.	.			trans	-132.5	163.2	179.1	-62.9	0	0	0	0	109.3	V392	V217-V392 HydrophobicContact CB-CB 4.27Å; V217-V392 HydrophobicContact CB-CG2 4.34Å; V217-V392 HydrophobicContact CG1-CB 4.22Å; V217-V392 HydrophobicContact CG1-CG1 4.45Å; V217-V392 HydrophobicContact CG1-CG2 3.86Å; V217-V392 HydrophobicContact CG2-CB 4.44Å; V217-V392 HydrophobicContact CG2-CG1 4.39Å
218	T	95.9	Very high	95.1	Very high	81 Å²	81	50.3 Å²	50.3	50%	0.497	27%	0.268	S	S	.	.	S	Bend	trans	-72.2	-54.8	179.1	-56.2	0	0	0	0	110.7	K393 C394 L395	T218-K393 WeakPolarHBondContact CB-O 3.44Å; T218-K393 PolarHBondContact N-O 3.25Å; T218-C394 PolarHBondContact OG1-O 3.17Å; T218-L395 WeakPolarHBondContact OG1-CA 3.37Å
219	E	95.8	Very high	95	Very high	97 Å²	97	47.6 Å²	47.6	45%	0.453	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	152.2	179.1	57	-179.3	179.1	0	0	110.8	L221 V392 K393	E219-L221 HydrophobicContact CG-CD2 4.2Å; E219-V392 WeakPolarHBondContact O-CA 3.42Å; E219-K393 HydrophobicContact CG-CB 3.64Å; E219-K393 HydrophobicContact CG-CD 4.28Å; E219-K393 PolarHBondContact O-N 3.26Å; E219-K393 WeakPolarHBondContact OE1-CD 3.35Å
220	K	95.3	Very high	94.7	Very high	125 Å²	125	47 Å²	47	54%	0.543	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	131.5	170.8	-72.1	-162.3	171.4	-167.8	0	109.3	E387 V392	K220-E387 PolarHBondContact NZ-O 3.49Å; K220-E387 IonicContact NZ-OE2 2.83Å; K220-V392 HydrophobicContact CG-CG1 4.13Å
221	L	95.9	Very high	94.6	Very high	38 Å²	38	46.2 Å²	46.2	20%	0.199	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	149.8	179.2	-61.6	177.2	0	0	0	110.1	E219 R391 K393 E401	E219-L221 HydrophobicContact CG-CD2 4.2Å; L221-R391 HydrophobicContact CB-CG 4.44Å; L221-R391 PolarHBondContact N-O 3.02Å; L221-R391 VanDerWaalsContact O-O 3.08Å; L221-K393 HydrophobicContact CD1-CB 4.33Å; L221-E401 HydrophobicContact CD1-CG 4.12Å
222	P	95.1	Very high	94.6	Very high	107 Å²	107	46.2 Å²	46.2	70%	0.695	25%	0.246	S	C	*	.			trans	-63.7	143	169	28.2	-33.7	0	0	0	110.2	R391	P222-R391 PolarHBondContact O-NE 3.01Å; P222-R391 VanDerWaalsContact O-NE 3.09Å
223	A	93.9	Very high	94.8	Very high	17 Å²	17	43.3 Å²	43.3	14%	0.14	24%	0.235	C	C	.	.			trans	-87.4	115.9	177	0	0	0	0	0	110.3	V241 Q242 R391	A223-V241 HydrophobicContact CB-CB 4Å; A223-V241 HydrophobicContact CB-CG2 3.51Å; A223-Q242 WeakPolarHBondContact CB-O 3.45Å; A223-R391 HydrophobicContact CB-CB 4.41Å
224	N	94.1	Very high	94.8	Very high	69 Å²	69	39.6 Å²	39.6	37%	0.369	22%	0.218	S	C	.	.			trans	-119.8	-5.1	-174.7	58.8	-1.7	0	0	0	113.7	R391	N224-R391 PolarHBondContact OD1-NH1 3.04Å
225	H	94.9	Very high	94.8	Very high	60 Å²	60	35.8 Å²	35.8	28%	0.278	20%	0.195	S	C	.	.	S	Bend	trans	-107.7	130.3	178.8	-163.7	75.3	0	0	0	110.6	V241 Q242 N268 Y464	H225-V241 CarbonylContact O-C 2.91Å; H225-V241 WeakPolarHBondContact O-CA 3.39Å; H225-V241 WeakPolarHBondContact O-CB 3.48Å; H225-Q242 PolarHBondContact CD2-OE1 2.96Å; H225-Q242 PolarHBondContact O-N 2.87Å; H225-N268 PolarHBondContact NE2-ND2 2.96Å; H225-Y464 AromaticContact CE1-CE2 3.67Å; H225-Y464 AromaticContact ND1-CE2 3.49Å; H225-Y464 WeakPolarHBondContact ND1-CE2 3.26Å
226	P	96.4	Very high	94.8	Very high	4 Å²	4	35.6 Å²	35.6	3%	0.026	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	143.9	179.9	28.3	-33.4	0	0	0	112	C240 N268 L461 Y464	P226-C240 WeakPolarHBondContact CA-O 3.45Å; P226-N268 PolarHBondContact O-ND2 3Å; P226-L461 HydrophobicContact CB-CD1 4.43Å; P226-L461 HydrophobicContact CB-CD2 3.94Å; P226-L461 HydrophobicContact CG-CD2 4.32Å; P226-Y464 HydrophobicContact CG-CD1 3.78Å; P226-Y464 HydrophobicContact CG-CE1 3.43Å; P226-Y464 VanDerWaalsContact CG-CE1 3.43Å; P226-Y464 HydrophobicContact CG-CE2 4.4Å; P226-Y464 HydrophobicContact CG-CG 4.4Å
227	L	96.1	Very high	94.7	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	105.5	166.3	179.4	70.1	0	0	0	107.3	T229 C240 Q242 L263 S269	L227-T229 PolarHBondContact O-N 3.05Å; L227-C240 HydrophobicContact CB-CB 4.41Å; L227-C240 PolarHBondContact N-O 3.46Å; L227-Q242 HydrophobicContact CB-CG 4.3Å; L227-Q242 HydrophobicContact CD1-CG 4.24Å; L227-L263 HydrophobicContact CD2-CD1 4.23Å; L227-L263 HydrophobicContact CG-CD1 4.45Å; L227-S269 WeakPolarHBondContact CD1-OG 3.48Å
228	L	94.9	Very high	94.8	Very high	39 Å²	39	31.5 Å²	31.5	20%	0.204	17%	0.168	C	C	.	.			trans	-77.2	120	179.1	-63.1	176.9	0	0	0	108.6	S267 N268 F534	L228-S267 VanDerWaalsContact O-CA 3.26Å; L228-S267 WeakPolarHBondContact O-CA 3.39Å; L228-N268 PolarHBondContact N-OD1 2.78Å; L228-F534 HydrophobicContact CD2-CB 4.35Å; L228-F534 HydrophobicContact CD2-CD2 4.08Å; L228-F534 HydrophobicContact CD2-CG 4.44Å
229	T	91.1	Very high	94.8	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.012	15%	0.145	C	C	.	.			trans	-91	-21.5	180	69	0	0	0	0	112.1	L227 Q231 L234 D235 L263 W433	L227-T229 PolarHBondContact O-N 3.05Å; T229-Q231 VanDerWaalsContact C-N 3.27Å; T229-Q231 PolarHBondContact OG1-N 3.29Å; T229-L234 HydrophobicContact CG2-CB 4.26Å; T229-L234 HydrophobicContact CG2-CD1 4.42Å; T229-L234 WeakPolarHBondContact OG1-CB 3.37Å; T229-D235 VanDerWaalsContact CB-OD1 3.32Å; T229-D235 WeakPolarHBondContact CB-OD1 3.32Å; T229-D235 WeakPolarHBondContact CG2-OD1 3.19Å; T229-D235 PolarHBondContact N-OD1 3.34Å; T229-D235 PolarHBondContact N-OD2 2.88Å; T229-D235 VanDerWaalsContact OG1-CG 3.32Å; T229-D235 PolarHBondContact OG1-OD1 2.94Å; T229-L263 HydrophobicContact CG2-CD1 3.61Å; T229-W433 HydrophobicContact CG2-CH2 3.78Å; T229-W433 HydrophobicContact CG2-CZ2 4.33Å
230	G	89.6	Confident	94.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	85.2	-3.6	-173.2	0	0	0	0	0	114	D235 Q522 F531 C532	G230-D235 PolarHBondContact N-OD2 3.09Å; G230-Q522 PolarHBondContact O-NE2 3.42Å; G230-F531 VanDerWaalsContact CA-CD2 3.44Å; G230-C532 PolarHBondContact O-N 2.9Å
231	Q	93.4	Very high	94.8	Very high	9 Å²	9	17.2 Å²	17.2	4%	0.042	10%	0.098	C	C	.	.			trans	-98.9	128.5	176	-56.8	-57.1	-53.7	0	0	109.8	T229 V233 L234 D235	T229-Q231 VanDerWaalsContact C-N 3.27Å; T229-Q231 PolarHBondContact OG1-N 3.29Å; Q231-V233 PolarHBondContact O-N 3.06Å; Q231-L234 HydrophobicContact CB-CB 4.1Å; Q231-L234 HydrophobicContact CB-CD1 3.9Å; Q231-L234 HydrophobicContact CB-CG 3.87Å; Q231-L234 HydrophobicContact CG-CD1 4.02Å; Q231-L234 PolarHBondContact O-N 2.82Å; Q231-D235 WeakPolarHBondContact O-CB 3.32Å; Q231-D235 PolarHBondContact O-N 3.06Å
232	R	95.3	Very high	94.8	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-59.4	-46.9	-175.9	-71.8	171.2	-76.3	-175	-2.5	112.8	L234 A236 D518 F519 Q521 D529 C532 T537	R232-L234 VanDerWaalsContact C-N 3.35Å; R232-L234 PolarHBondContact O-N 3.3Å; R232-A236 WeakPolarHBondContact O-CB 3.34Å; R232-A236 PolarHBondContact O-N 2.86Å; R232-D518 PolarHBondContact NH1-O 3.03Å; R232-F519 HydrophobicContact CB-CE2 4.49Å; R232-F519 HydrophobicContact CB-CZ 4.34Å; R232-F519 WeakPolarHBondContact CD-O 3.44Å; R232-F519 PolarHBondContact NE-O 2.76Å; R232-Q521 PolarHBondContact NH2-O 2.78Å; R232-D529 IonicContact NH2-OD1 3.23Å; R232-D529 IonicContact NH2-OD2 2.71Å; R232-C532 HydrophobicContact CG-CB 3.78Å; R232-C532 VanDerWaalsContact CG-SG 3.57Å; R232-T537 HydrophobicContact CB-CG2 4.28Å; R232-T537 HydrophobicContact CG-CG2 4.17Å
233	V	95.4	Very high	94.8	Very high	3 Å²	3	11.2 Å²	11.2	2%	0.018	6%	0.061	C	C	.	.	H	α-helix	trans	-64.4	-39.2	-179.4	62.9	0	0	0	0	112.5	Q231 L237 F238 P446 V448 L520	Q231-V233 PolarHBondContact O-N 3.06Å; V233-L237 HydrophobicContact CG2-CD1 4.26Å; V233-L237 WeakPolarHBondContact O-CB 3.29Å; V233-L237 PolarHBondContact O-N 2.86Å; V233-F238 HydrophobicContact CG2-CD2 4.48Å; V233-F238 HydrophobicContact CG2-CE2 4.39Å; V233-P446 HydrophobicContact CG1-CG 3.53Å; V233-V448 HydrophobicContact CG1-CB 4.33Å; V233-V448 HydrophobicContact CG1-CG2 4.07Å; V233-V448 HydrophobicContact CG2-CB 4.21Å; V233-V448 HydrophobicContact CG2-CG1 4.22Å; V233-L520 HydrophobicContact CB-CD2 3.91Å; V233-L520 HydrophobicContact CG2-CD2 3.81Å
234	L	95.1	Very high	94.9	Very high	1 Å²	1	10.4 Å²	10.4	1%	0.005	5%	0.054	C	C	.	.	H	α-helix	trans	-74.5	-44.6	-177.9	-57.4	-176	0	0	0	110.6	T229 Q231 R232 F238 P239 I259 W433 V448	T229-L234 HydrophobicContact CG2-CB 4.26Å; T229-L234 HydrophobicContact CG2-CD1 4.42Å; T229-L234 WeakPolarHBondContact OG1-CB 3.37Å; Q231-L234 HydrophobicContact CB-CB 4.1Å; Q231-L234 HydrophobicContact CB-CD1 3.9Å; Q231-L234 HydrophobicContact CB-CG 3.87Å; Q231-L234 HydrophobicContact CG-CD1 4.02Å; Q231-L234 PolarHBondContact O-N 2.82Å; R232-L234 VanDerWaalsContact C-N 3.35Å; R232-L234 PolarHBondContact O-N 3.3Å; L234-F238 CarbonylContact O-C 3.56Å; L234-P239 VanDerWaalsContact O-CA 3.3Å; L234-P239 WeakPolarHBondContact O-CA 3.3Å; L234-P239 VanDerWaalsContact O-N 3.16Å; L234-I259 HydrophobicContact CD1-CG2 3.86Å; L234-W433 HydrophobicContact CB-CZ2 4.16Å; L234-W433 HydrophobicContact CD1-CD2 4.39Å; L234-W433 HydrophobicContact CD1-CE3 3.99Å; L234-W433 HydrophobicContact CD1-CH2 4.16Å; L234-W433 HydrophobicContact CD1-CZ2 4.47Å; L234-W433 HydrophobicContact CD1-CZ3 3.89Å; L234-W433 HydrophobicContact CD2-CB 4.42Å; L234-W433 HydrophobicContact CD2-CD2 3.59Å; L234-W433 HydrophobicContact CD2-CE3 3.97Å; L234-W433 HydrophobicContact CD2-CG 3.77Å; L234-W433 HydrophobicContact CD2-CZ2 4.39Å; L234-W433 HydrophobicContact CG-CD2 4.48Å; L234-V448 HydrophobicContact CD2-CG2 3.8Å
235	D	95.6	Very high	95	Very high	4 Å²	4	7.7 Å²	7.7	2%	0.021	4%	0.041	C	C	.	.	H	α-helix	trans	-75.2	-29.4	-177.8	-67.2	-10.3	0	0	0	112.4	T229 G230 Q231 F534	T229-D235 VanDerWaalsContact CB-OD1 3.32Å; T229-D235 WeakPolarHBondContact CB-OD1 3.32Å; T229-D235 WeakPolarHBondContact CG2-OD1 3.19Å; T229-D235 PolarHBondContact N-OD1 3.34Å; T229-D235 PolarHBondContact N-OD2 2.88Å; T229-D235 VanDerWaalsContact OG1-CG 3.32Å; T229-D235 PolarHBondContact OG1-OD1 2.94Å; G230-D235 PolarHBondContact N-OD2 3.09Å; Q231-D235 WeakPolarHBondContact O-CB 3.32Å; Q231-D235 PolarHBondContact O-N 3.06Å; D235-F534 HydrophobicContact CB-CD2 4.39Å; D235-F534 HydrophobicContact CB-CE2 4.49Å
236	A	95	Very high	95.1	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-91.3	-57.3	-178.3	0	0	0	0	0	113.7	R232 F472 R476 F519 T537	R232-A236 WeakPolarHBondContact O-CB 3.34Å; R232-A236 PolarHBondContact O-N 2.86Å; A236-F472 HydrophobicContact CB-CE2 4.06Å; A236-F472 HydrophobicContact CB-CZ 3.91Å; A236-R476 WeakPolarHBondContact O-CD 3.5Å; A236-F519 HydrophobicContact CB-CE1 4.16Å; A236-F519 HydrophobicContact CB-CZ 3.92Å; A236-T537 HydrophobicContact CB-CG2 3.98Å
237	L	95.3	Very high	95.1	Very high	2 Å²	2	4.7 Å²	4.7	1%	0.01	3%	0.027	C	C	.	.	H	α-helix	trans	-85.9	-31.8	-170.1	-63.2	-172.5	0	0	0	113.3	V233 W450 M458 R476 K480 L483 L520	V233-L237 HydrophobicContact CG2-CD1 4.26Å; V233-L237 WeakPolarHBondContact O-CB 3.29Å; V233-L237 PolarHBondContact O-N 2.86Å; L237-W450 HydrophobicContact CD1-CB 4.1Å; L237-M458 WeakPolarHBondContact O-CE 3.38Å; L237-R476 HydrophobicContact CD2-CG 4.34Å; L237-K480 HydrophobicContact CD2-CG 4.04Å; L237-K480 WeakPolarHBondContact O-CE 3.42Å; L237-K480 PolarHBondContact O-NZ 2.91Å; L237-L483 HydrophobicContact CD1-CD1 4.1Å; L237-L520 HydrophobicContact CD1-CD2 3.86Å
238	F	96.3	Very high	95	Very high	2 Å²	2	4.7 Å²	4.7	1%	0.009	3%	0.026	C	C	.	.	S	Bend	trans	-137	57.3	-173.9	-48.9	-64.3	0	0	0	112	V233 L234 W433 V448 W450 S453	V233-F238 HydrophobicContact CG2-CD2 4.48Å; V233-F238 HydrophobicContact CG2-CE2 4.39Å; L234-F238 CarbonylContact O-C 3.56Å; F238-W433 PolarHBondContact O-NE1 3.34Å; F238-V448 HydrophobicContact CD2-CG1 4.27Å; F238-V448 HydrophobicContact CE2-CG1 4.27Å; F238-W450 HydrophobicContact CE2-CB 4.22Å; F238-W450 HydrophobicContact CZ-CB 4.21Å; F238-W450 WeakPolarHBondContact CZ-O 3.49Å; F238-S453 WeakPolarHBondContact CE1-O 3.29Å
239	P	95.9	Very high	95	Very high	2 Å²	2	2.9 Å²	2.9	1%	0.013	2%	0.017	C	C	.	.			trans	-61.2	143.3	-172.8	26.4	-35.6	0	0	0	111.6	L234 S455 M458 L461	L234-P239 VanDerWaalsContact O-CA 3.3Å; L234-P239 WeakPolarHBondContact O-CA 3.3Å; L234-P239 VanDerWaalsContact O-N 3.16Å; P239-S455 PolarHBondContact O-OG 3.08Å; P239-M458 HydrophobicContact CG-CE 4.38Å; P239-M458 HydrophobicContact CG-SD 3.76Å; P239-L461 HydrophobicContact CB-CD1 3.68Å; P239-L461 HydrophobicContact CG-CD1 3.79Å
240	C	96	Very high	94.9	Very high	1 Å²	1	2.8 Å²	2.8	1%	0.007	2%	0.016	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	162	166.2	-169.8	0	0	0	0	109.9	P226 L227 T246 V431 W433	P226-C240 WeakPolarHBondContact CA-O 3.45Å; L227-C240 HydrophobicContact CB-CB 4.41Å; L227-C240 PolarHBondContact N-O 3.46Å; C240-T246 PolarHBondContact SG-OG1 3.35Å; C240-V431 HydrophobicContact CB-CG2 4.46Å; C240-W433 HydrophobicContact CB-CH2 4.34Å; C240-W433 HydrophobicContact CB-CZ2 3.95Å
241	V	96.8	Very high	94.7	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.019	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	154.2	-179.6	-61.3	0	0	0	0	110.4	A223 H225 G243 G244 Y457 L461	A223-V241 HydrophobicContact CB-CB 4Å; A223-V241 HydrophobicContact CB-CG2 3.51Å; H225-V241 CarbonylContact O-C 2.91Å; H225-V241 WeakPolarHBondContact O-CA 3.39Å; H225-V241 WeakPolarHBondContact O-CB 3.48Å; V241-G243 PolarHBondContact O-N 3.49Å; V241-G244 WeakPolarHBondContact O-CA 3.3Å; V241-G244 PolarHBondContact O-N 3.43Å; V241-Y457 HydrophobicContact CG1-CD1 4.3Å; V241-Y457 HydrophobicContact CG1-CD2 4.32Å; V241-Y457 HydrophobicContact CG1-CG 3.92Å; V241-Y457 HydrophobicContact CG2-CD1 3.79Å; V241-Y457 HydrophobicContact CG2-CD2 3.83Å; V241-Y457 HydrophobicContact CG2-CE1 3.76Å; V241-Y457 HydrophobicContact CG2-CE2 3.8Å; V241-Y457 HydrophobicContact CG2-CG 3.84Å; V241-L461 HydrophobicContact CG1-CD1 3.73Å; V241-L461 HydrophobicContact CG1-CD2 3.73Å; V241-L461 HydrophobicContact CG1-CG 3.68Å
242	Q	95.6	Very high	94.3	Very high	13 Å²	13	7.8 Å²	7.8	6%	0.061	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	115.1	170.8	-71.5	-176.1	-20	0	0	109.6	A223 H225 L227 N268 H343	A223-Q242 WeakPolarHBondContact CB-O 3.45Å; H225-Q242 PolarHBondContact CD2-OE1 2.96Å; H225-Q242 PolarHBondContact O-N 2.87Å; L227-Q242 HydrophobicContact CB-CG 4.3Å; L227-Q242 HydrophobicContact CD1-CG 4.24Å; Q242-N268 PolarHBondContact NE2-ND2 3.25Å; Q242-N268 PolarHBondContact NE2-O 2.89Å; Q242-N268 VanDerWaalsContact NE2-O 3.09Å; Q242-H343 PolarHBondContact OE1-ND1 3.11Å
243	G	94.5	Very high	93.7	Very high	6 Å²	6	11.2 Å²	11.2	6%	0.062	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.2	0	-168.3	0	0	0	0	0	114	V241 G390 V404 S405	V241-G243 PolarHBondContact O-N 3.49Å; G243-G390 WeakPolarHBondContact O-CA 3.2Å; G243-G390 PolarHBondContact O-N 3.34Å; G243-V404 CarbonylContact C-O 3.49Å; G243-V404 VanDerWaalsContact CA-O 3.29Å; G243-V404 WeakPolarHBondContact CA-O 3.32Å; G243-S405 PolarHBondContact N-OG 3.44Å
244	G	95.6	Very high	93.2	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	8%	0.075	C	C	.	.			trans	-81	164.5	-179.5	0	0	0	0	0	113.7	V241 S405 I406 Y457	V241-G244 WeakPolarHBondContact O-CA 3.3Å; V241-G244 PolarHBondContact O-N 3.43Å; G244-S405 CarbonylContact O-C 3.48Å; G244-S405 WeakPolarHBondContact O-CA 3.22Å; G244-I406 PolarHBondContact O-N 3.1Å; G244-Y457 WeakPolarHBondContact CA-OH 3.42Å
245	T	97.1	Very high	92.7	Very high	13 Å²	13	11.9 Å²	11.9	8%	0.08	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	124.2	173.4	58.2	0	0	0	0	109.6	Y386 A389 Q430 V431	T245-Y386 HydrophobicContact CG2-CD1 4.23Å; T245-Y386 WeakPolarHBondContact CG2-O 3.29Å; T245-A389 HydrophobicContact CG2-CB 3.67Å; T245-Q430 PolarHBondContact O-N 3.39Å; T245-Q430 PolarHBondContact OG1-N 3.21Å; T245-V431 PolarHBondContact O-N 2.96Å; T245-V431 VanDerWaalsContact O-N 3.16Å
246	T	96.7	Very high	92.4	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	139.3	177.8	-58.3	0	0	0	0	110.8	C240 I248 I406 V407 G408 V431 W433	C240-T246 PolarHBondContact SG-OG1 3.35Å; T246-I248 HydrophobicContact CG2-CG1 4.39Å; T246-I406 PolarHBondContact N-O 3.43Å; T246-V407 WeakPolarHBondContact O-CA 3.2Å; T246-G408 PolarHBondContact O-N 2.88Å; T246-V431 WeakPolarHBondContact CA-O 3.48Å; T246-V431 HydrophobicContact CG2-CB 4.12Å; T246-V431 HydrophobicContact CG2-CG1 3.98Å; T246-W433 HydrophobicContact CG2-CD2 3.54Å; T246-W433 HydrophobicContact CG2-CE3 3.56Å; T246-W433 HydrophobicContact CG2-CG 4.17Å; T246-W433 HydrophobicContact CG2-CH2 3.9Å; T246-W433 HydrophobicContact CG2-CZ2 3.94Å; T246-W433 HydrophobicContact CG2-CZ3 3.73Å
247	A	95.9	Very high	91.9	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.008	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	138.2	165	0	0	0	0	0	111.5	P249 G408 V410 T425 V429 V431 W433	A247-P249 WeakPolarHBondContact O-CD 3.48Å; A247-G408 CarbonylContact C-O 2.96Å; A247-G408 WeakPolarHBondContact CA-O 3.33Å; A247-V410 HydrophobicContact CB-CG2 4.46Å; A247-T425 HydrophobicContact CB-CG2 3.51Å; A247-V429 HydrophobicContact CB-CB 4.42Å; A247-V429 HydrophobicContact CB-CG1 4.1Å; A247-V429 HydrophobicContact CB-CG2 3.86Å; A247-V431 PolarHBondContact N-O 3.41Å; A247-W433 PolarHBondContact O-N 2.74Å
248	I	95.1	Very high	91.6	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	82.6	173.5	-45.9	-176.6	0	0	0	108.1	T246 K256 I259 V407 G408 V410 W433 L435	T246-I248 HydrophobicContact CG2-CG1 4.39Å; I248-K256 HydrophobicContact CG2-CG 4.27Å; I248-I259 HydrophobicContact CD1-CB 4.44Å; I248-I259 HydrophobicContact CD1-CG2 3.77Å; I248-V407 HydrophobicContact CD1-CG1 3.46Å; I248-V407 VanDerWaalsContact CD1-CG1 3.46Å; I248-V407 HydrophobicContact CG1-CG1 3.85Å; I248-G408 PolarHBondContact N-O 2.98Å; I248-V410 PolarHBondContact O-N 3.34Å; I248-W433 HydrophobicContact CD1-CE3 3.65Å; I248-W433 HydrophobicContact CD1-CZ3 3.93Å; I248-W433 HydrophobicContact CG1-CE3 3.68Å; I248-W433 HydrophobicContact CG1-CZ3 4.31Å; I248-L435 HydrophobicContact CG2-CD1 3.72Å; I248-L435 HydrophobicContact CG2-CD2 4.45Å; I248-L435 HydrophobicContact CG2-CG 3.88Å
249	P	93.4	Very high	91.3	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.006	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	150.1	170	37.3	-41.9	0	0	0	111	A247 V410 F417 T422 F432 W433 L435	A247-P249 WeakPolarHBondContact O-CD 3.48Å; P249-V410 VanDerWaalsContact CA-O 3.24Å; P249-V410 WeakPolarHBondContact CA-O 3.34Å; P249-V410 HydrophobicContact CB-CB 4.11Å; P249-F417 HydrophobicContact CB-CD1 4.31Å; P249-F417 HydrophobicContact CB-CE1 3.94Å; P249-F417 HydrophobicContact CG-CD1 4.47Å; P249-F417 HydrophobicContact CG-CE1 3.94Å; P249-T422 HydrophobicContact CB-CG2 4.49Å; P249-F432 HydrophobicContact CB-CE2 4.35Å; P249-F432 HydrophobicContact CG-CD2 4.08Å; P249-F432 HydrophobicContact CG-CE1 4.44Å; P249-F432 HydrophobicContact CG-CE2 3.27Å; P249-F432 HydrophobicContact CG-CZ 3.46Å; P249-F432 VanDerWaalsContact CG-CZ 3.46Å; P249-W433 WeakPolarHBondContact CD-O 3.45Å; P249-L435 WeakPolarHBondContact O-CB 3.47Å; P249-L435 PolarHBondContact O-N 2.96Å
250	G	88.9	Confident	90.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	12%	0.115	C	C	.	.			trans	177.3	160.3	169	0	0	0	0	0	111.7	K256 V410	G250-K256 PolarHBondContact O-NZ 2.71Å; G250-V410 PolarHBondContact N-O 3.11Å; G250-V410 VanDerWaalsContact N-O 3.1Å
251	A	86.5	Confident	90.4	Very high	8 Å²	8	18.6 Å²	18.6	7%	0.066	12%	0.121	C	C	.	.			trans	-62.3	166.3	171	0	0	0	0	0	111.3	C254 K256 K437	A251-C254 PolarHBondContact O-N 3.07Å; A251-K256 PolarHBondContact O-NZ 3.14Å; A251-K437 HydrophobicContact CB-CD 4.22Å
252	F	84.1	Confident	89.9	Confident	106 Å²	106	19 Å²	19	47%	0.465	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	137.1	171.7	-63.4	-76.4	0	0	0	110.5	C254	F252-C254 VanDerWaalsContact C-N 3.34Å; F252-C254 PolarHBondContact O-N 3.37Å
253	G	82.1	Confident	89.6	Confident	73 Å²	73	18.4 Å²	18.4	75%	0.753	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.3	3.3	179.4	0	0	0	0	0	115.9	G255	G253-G255 PolarHBondContact O-N 3.39Å
254	C	85.9	Confident	89.2	Confident	2 Å²	2	18.1 Å²	18.1	1%	0.014	12%	0.118	C	C	.	.	S	Bend	trans	-73.3	-7.4	174.8	-68.9	0	0	0	0	114	A251 F252 L435 S447	A251-C254 PolarHBondContact O-N 3.07Å; F252-C254 VanDerWaalsContact C-N 3.34Å; F252-C254 PolarHBondContact O-N 3.37Å; C254-L435 HydrophobicContact CB-CB 3.97Å; C254-L435 HydrophobicContact CB-CD1 4.07Å; C254-S447 PolarHBondContact O-OG 2.92Å
255	G	85.5	Confident	88.6	Confident	16 Å²	16	19.6 Å²	19.6	17%	0.165	12%	0.124	C	C	.	.	S	Bend	trans	97.2	24	179.8	0	0	0	0	0	115.3	G253 V258 I259	G253-G255 PolarHBondContact O-N 3.39Å; G255-V258 PolarHBondContact O-N 3.02Å; G255-I259 PolarHBondContact O-N 3.39Å; G255-I259 VanDerWaalsContact O-N 3.09Å
256	K	88.4	Confident	88.1	Confident	14 Å²	14	21.3 Å²	21.3	6%	0.061	13%	0.129	C	C	.	.	H	α-helix	trans	-54.1	-54.5	174.8	-66.7	-169.5	-62.2	-89.1	0	112.1	I248 G250 A251 V258 I259 S260 A409 S411 L435	I248-K256 HydrophobicContact CG2-CG 4.27Å; G250-K256 PolarHBondContact O-NZ 2.71Å; A251-K256 PolarHBondContact O-NZ 3.14Å; K256-V258 VanDerWaalsContact C-N 3.27Å; K256-V258 PolarHBondContact O-N 2.84Å; K256-I259 PolarHBondContact O-N 3.14Å; K256-I259 VanDerWaalsContact O-N 3.1Å; K256-S260 PolarHBondContact O-N 3.47Å; K256-S260 PolarHBondContact O-OG 3Å; K256-A409 HydrophobicContact CD-CB 4.31Å; K256-S411 WeakPolarHBondContact CE-OG 3.26Å; K256-S411 PolarHBondContact NZ-OG 3.43Å; K256-S411 VanDerWaalsContact NZ-OG 3.12Å; K256-L435 HydrophobicContact CB-CD1 4.43Å; K256-L435 HydrophobicContact CG-CD1 3.55Å
257	T	85.3	Confident	87.7	Confident	43 Å²	43	21.6 Å²	21.6	26%	0.264	13%	0.131	S	C	.	.	H	α-helix	trans	-63	-33.8	179.9	-44.7	0	0	0	0	112	I259 S260 Q261 D349	T257-I259 PolarHBondContact O-N 2.94Å; T257-S260 PolarHBondContact O-N 3.01Å; T257-Q261 VanDerWaalsContact O-CB 3.28Å; T257-Q261 WeakPolarHBondContact O-CB 3.34Å; T257-Q261 PolarHBondContact O-N 3.48Å; T257-D349 PolarHBondContact OG1-OD2 3.27Å
258	V	87.6	Confident	87.5	Confident	56 Å²	56	23.9 Å²	23.9	34%	0.339	14%	0.143	S	C	.	.	H	α-helix	trans	-64.2	-40	175.2	-179.5	0	0	0	0	111.3	G255 K256 S262	G255-V258 PolarHBondContact O-N 3.02Å; K256-V258 VanDerWaalsContact C-N 3.27Å; K256-V258 PolarHBondContact O-N 2.84Å; V258-S262 WeakPolarHBondContact O-CB 2.95Å; V258-S262 PolarHBondContact O-N 3.27Å; V258-S262 PolarHBondContact O-OG 3.39Å
259	I	90.3	Very high	87.4	Confident	11 Å²	11	24 Å²	24	6%	0.056	14%	0.144	C	C	.	.	H	α-helix	trans	-66.5	-46.2	174.6	-65.4	172	0	0	0	110.2	L234 I248 G255 K256 T257 Q261 S262 L263 W433 L435 P446	L234-I259 HydrophobicContact CD1-CG2 3.86Å; I248-I259 HydrophobicContact CD1-CB 4.44Å; I248-I259 HydrophobicContact CD1-CG2 3.77Å; G255-I259 PolarHBondContact O-N 3.39Å; G255-I259 VanDerWaalsContact O-N 3.09Å; K256-I259 PolarHBondContact O-N 3.14Å; K256-I259 VanDerWaalsContact O-N 3.1Å; T257-I259 PolarHBondContact O-N 2.94Å; I259-Q261 VanDerWaalsContact C-N 3.32Å; I259-Q261 PolarHBondContact O-N 2.97Å; I259-S262 PolarHBondContact O-N 3.15Å; I259-L263 WeakPolarHBondContact O-CB 3.14Å; I259-L263 PolarHBondContact O-N 3.41Å; I259-W433 HydrophobicContact CG2-CZ3 4.41Å; I259-L435 HydrophobicContact CD1-CD1 4.22Å; I259-L435 HydrophobicContact CD1-CD2 3.75Å; I259-P446 HydrophobicContact CD1-CB 4.39Å
260	S	87.6	Confident	87.5	Confident	2 Å²	2	26.6 Å²	26.6	1%	0.014	16%	0.158	C	C	.	.	H	α-helix	trans	-59.5	-41.8	176.1	-57.8	0	0	0	0	112.2	K256 T257 L263 S264	K256-S260 PolarHBondContact O-N 3.47Å; K256-S260 PolarHBondContact O-OG 3Å; T257-S260 PolarHBondContact O-N 3.01Å; S260-L263 PolarHBondContact O-N 3.46Å; S260-S264 PolarHBondContact O-N 3.49Å; S260-S264 PolarHBondContact O-OG 3.48Å
261	Q	84.4	Confident	87.8	Confident	26 Å²	26	26.6 Å²	26.6	12%	0.121	16%	0.158	C	C	.	.	H	α-helix	trans	-66.5	-39.5	176.5	-154.1	-157.5	8.4	0	0	111.4	T257 I259 S264 K265 D290 F291	T257-Q261 VanDerWaalsContact O-CB 3.28Å; T257-Q261 WeakPolarHBondContact O-CB 3.34Å; T257-Q261 PolarHBondContact O-N 3.48Å; I259-Q261 VanDerWaalsContact C-N 3.32Å; I259-Q261 PolarHBondContact O-N 2.97Å; Q261-S264 VanDerWaalsContact CA-OG 3.31Å; Q261-S264 WeakPolarHBondContact CA-OG 3.31Å; Q261-S264 PolarHBondContact O-OG 3.29Å; Q261-K265 WeakPolarHBondContact O-CD 3.35Å; Q261-K265 WeakPolarHBondContact O-CE 3.21Å; Q261-K265 WeakPolarHBondContact O-CG 3.37Å; Q261-K265 PolarHBondContact O-N 3.42Å; Q261-K265 VanDerWaalsContact O-N 3.17Å; Q261-D290 PolarHBondContact NE2-OD2 3.32Å; Q261-F291 HydrophobicContact CG-CE2 3.91Å
262	S	86.6	Confident	88.2	Confident	7 Å²	7	26.2 Å²	26.2	5%	0.049	16%	0.155	C	C	.	.	H	α-helix	trans	-68.3	-41.3	177.4	-59.3	0	0	0	0	111.3	V258 I259 S264 K265 Y266	V258-S262 WeakPolarHBondContact O-CB 2.95Å; V258-S262 PolarHBondContact O-N 3.27Å; V258-S262 PolarHBondContact O-OG 3.39Å; I259-S262 PolarHBondContact O-N 3.15Å; S262-S264 PolarHBondContact O-N 2.96Å; S262-K265 PolarHBondContact O-N 3.15Å; S262-Y266 WeakPolarHBondContact O-CD2 3.07Å; S262-Y266 PolarHBondContact O-N 2.96Å
263	L	89.2	Confident	88.8	Confident	2 Å²	2	21.1 Å²	21.1	1%	0.01	13%	0.133	C	C	.	.	H	α-helix	trans	-64.3	-39.2	177	-178	73.9	0	0	0	111.7	L227 T229 I259 S260 K265 S267 M347 V407	L227-L263 HydrophobicContact CD2-CD1 4.23Å; L227-L263 HydrophobicContact CG-CD1 4.45Å; T229-L263 HydrophobicContact CG2-CD1 3.61Å; I259-L263 WeakPolarHBondContact O-CB 3.14Å; I259-L263 PolarHBondContact O-N 3.41Å; S260-L263 PolarHBondContact O-N 3.46Å; L263-K265 VanDerWaalsContact C-N 3.32Å; L263-K265 PolarHBondContact O-N 3.34Å; L263-S267 WeakPolarHBondContact O-CB 3.45Å; L263-S267 PolarHBondContact O-N 3.17Å; L263-S267 VanDerWaalsContact O-N 3.1Å; L263-S267 PolarHBondContact O-OG 3.09Å; L263-M347 HydrophobicContact CB-CE 3.74Å; L263-M347 HydrophobicContact CD2-CE 3.58Å; L263-M347 HydrophobicContact CD2-CG 4.47Å; L263-M347 HydrophobicContact CG-CE 3.55Å; L263-V407 HydrophobicContact CD2-CB 4.17Å; L263-V407 HydrophobicContact CD2-CG1 4.3Å; L263-V407 HydrophobicContact CD2-CG2 3.58Å
264	S	86.4	Confident	89.4	Confident	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-68.4	-31.5	176.4	45	0	0	0	0	112.9	S260 Q261 S262 R308 M347	S260-S264 PolarHBondContact O-N 3.49Å; S260-S264 PolarHBondContact O-OG 3.48Å; Q261-S264 VanDerWaalsContact CA-OG 3.31Å; Q261-S264 WeakPolarHBondContact CA-OG 3.31Å; Q261-S264 PolarHBondContact O-OG 3.29Å; S262-S264 PolarHBondContact O-N 2.96Å; S264-R308 PolarHBondContact O-NH2 2.94Å; S264-M347 VanDerWaalsContact CA-CE 3.49Å
265	K	83.3	Confident	89.9	Confident	31 Å²	31	17.8 Å²	17.8	14%	0.135	10%	0.097	C	C	.	.	H	α-helix	trans	-73.3	-53.9	176.7	-70.4	170.9	-149.7	-154	0	112.2	Q261 S262 L263 L294 I305 R308	Q261-K265 WeakPolarHBondContact O-CD 3.35Å; Q261-K265 WeakPolarHBondContact O-CE 3.21Å; Q261-K265 WeakPolarHBondContact O-CG 3.37Å; Q261-K265 PolarHBondContact O-N 3.42Å; Q261-K265 VanDerWaalsContact O-N 3.17Å; S262-K265 PolarHBondContact O-N 3.15Å; L263-K265 VanDerWaalsContact C-N 3.32Å; L263-K265 PolarHBondContact O-N 3.34Å; K265-L294 HydrophobicContact CD-CD1 3.85Å; K265-L294 HydrophobicContact CD-CD2 3.94Å; K265-L294 HydrophobicContact CD-CG 4.47Å; K265-L294 HydrophobicContact CG-CD1 3.95Å; K265-I305 HydrophobicContact CG-CD1 4.23Å; K265-R308 PolarHBondContact O-NH2 2.81Å
266	Y	85.9	Confident	90.3	Very high	48 Å²	48	17 Å²	17	19%	0.188	9%	0.089	C	C	.	.	H	α-helix	trans	-109.5	-1	-160.7	-51	-62.3	0	0	0	114.7	S262 R530 F531	S262-Y266 WeakPolarHBondContact O-CD2 3.07Å; S262-Y266 PolarHBondContact O-N 2.96Å; Y266-R530 WeakPolarHBondContact CD2-O 3.31Å; Y266-R530 HydrophobicContact CE1-CG 4.32Å; Y266-R530 HydrophobicContact CE2-CB 4.26Å; Y266-R530 WeakPolarHBondContact CE2-O 3.19Å; Y266-R530 WeakPolarHBondContact OH-CB 3.5Å; Y266-R530 WeakPolarHBondContact OH-CD 3.19Å; Y266-R530 WeakPolarHBondContact OH-CG 3.42Å; Y266-F531 VanDerWaalsContact CB-CD2 3.41Å; Y266-F531 HydrophobicContact CD1-CB 3.75Å; Y266-F531 HydrophobicContact CD1-CD2 4.25Å; Y266-F531 HydrophobicContact CD1-CG 4.15Å; Y266-F531 HydrophobicContact CD2-CB 4.3Å; Y266-F531 HydrophobicContact CE1-CB 4.09Å; Y266-F531 HydrophobicContact CG-CB 3.88Å; Y266-F531 AromaticContact CG-CD2 3.87Å; Y266-F531 HydrophobicContact CG-CD2 3.87Å; Y266-F531 HydrophobicContact CG-CG 4.18Å
267	S	89.5	Confident	90.5	Very high	6 Å²	6	16.4 Å²	16.4	4%	0.042	9%	0.086	C	C	.	.			trans	-66.2	148.6	177.5	60.5	0	0	0	0	112.5	L228 L263 S269	L228-S267 VanDerWaalsContact O-CA 3.26Å; L228-S267 WeakPolarHBondContact O-CA 3.39Å; L263-S267 WeakPolarHBondContact O-CB 3.45Å; L263-S267 PolarHBondContact O-N 3.17Å; L263-S267 VanDerWaalsContact O-N 3.1Å; L263-S267 PolarHBondContact O-OG 3.09Å; S267-S269 PolarHBondContact O-N 3.3Å
268	N	91.7	Very high	90.7	Very high	49 Å²	49	14.7 Å²	14.7	26%	0.262	8%	0.077	S	C	.	.	S	Bend	trans	-74	29.2	168.5	61.4	-24.4	0	0	0	112.4	H225 P226 L228 Q242	H225-N268 PolarHBondContact NE2-ND2 2.96Å; P226-N268 PolarHBondContact O-ND2 3Å; L228-N268 PolarHBondContact N-OD1 2.78Å; Q242-N268 PolarHBondContact NE2-ND2 3.25Å; Q242-N268 PolarHBondContact NE2-O 2.89Å; Q242-N268 VanDerWaalsContact NE2-O 3.09Å
269	S	93.1	Very high	90.7	Very high	2 Å²	2	12.8 Å²	12.8	1%	0.014	7%	0.065	C	C	.	.			trans	-94.6	142.8	175.1	-59.4	0	0	0	0	110.3	L227 S267 R308 H343 S345	L227-S269 WeakPolarHBondContact CD1-OG 3.48Å; S267-S269 PolarHBondContact O-N 3.3Å; S269-R308 PolarHBondContact O-NH1 2.89Å; S269-H343 CarbonylContact C-O 3.53Å; S269-H343 WeakPolarHBondContact CB-O 3.39Å; S269-S345 WeakPolarHBondContact OG-CB 3.14Å
270	D	94.3	Very high	90.5	Very high	56 Å²	56	18.9 Å²	18.9	30%	0.299	9%	0.087	S	C	.	.	S	Bend	trans	-75.1	-39	-180	-58.1	-43.7	0	0	0	111.4	R308 Y342 H343	D270-R308 WeakPolarHBondContact O-CD 3.35Å; D270-Y342 HydrophobicContact CB-CD1 3.68Å; D270-Y342 HydrophobicContact CB-CG 4.24Å; D270-H343 PolarHBondContact N-O 3.46Å; D270-H343 IonicContact OD2-CD2 3.42Å; D270-H343 PolarHBondContact OD2-N 3.11Å
271	V	95.6	Very high	90.3	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	138.5	-175.4	177.8	0	0	0	0	110	M95 I162 I273 R308 F337 Y342 H343 V344 S345	M95-V271 HydrophobicContact CE-CB 4.11Å; M95-V271 HydrophobicContact CE-CG1 3.43Å; M95-V271 VanDerWaalsContact CE-CG1 3.43Å; M95-V271 HydrophobicContact CE-CG2 3.49Å; M95-V271 VanDerWaalsContact CE-CG2 3.49Å; M95-V271 HydrophobicContact SD-CG1 4.12Å; I162-V271 HydrophobicContact CD1-CG2 3.83Å; V271-I273 HydrophobicContact CG1-CD1 4.15Å; V271-I273 HydrophobicContact CG1-CG1 4.48Å; V271-R308 WeakPolarHBondContact CA-O 3.26Å; V271-F337 HydrophobicContact CG1-CB 4.33Å; V271-F337 HydrophobicContact CG1-CD2 4.04Å; V271-F337 HydrophobicContact CG1-CG 4.1Å; V271-F337 HydrophobicContact CG2-CB 4.49Å; V271-F337 HydrophobicContact CG2-CG 4.5Å; V271-Y342 HydrophobicContact CG2-CG 4.37Å; V271-H343 PolarHBondContact N-O 2.9Å; V271-V344 HydrophobicContact CB-CG1 4.33Å; V271-V344 HydrophobicContact CB-CG2 4.27Å; V271-V344 HydrophobicContact CG1-CG1 4.28Å; V271-V344 WeakPolarHBondContact O-CA 3.4Å; V271-S345 PolarHBondContact O-N 3.2Å
272	I	95.7	Very high	90.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	131.9	175	-55.2	-60.5	0	0	0	109.8	R308 T309 A310 S345 M347	I272-R308 PolarHBondContact N-O 3.08Å; I272-T309 HydrophobicContact CB-CG2 4.08Å; I272-T309 HydrophobicContact CG2-CG2 4.12Å; I272-T309 VanDerWaalsContact O-CA 3.26Å; I272-T309 WeakPolarHBondContact O-CA 3.26Å; I272-A310 PolarHBondContact O-N 3.21Å; I272-S345 WeakPolarHBondContact CA-O 3.36Å; I272-M347 HydrophobicContact CD1-CE 4.41Å; I272-M347 HydrophobicContact CG2-CE 4.06Å; I272-M347 HydrophobicContact CG2-SD 4.14Å
273	I	96.7	Very high	90.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	117.8	169.4	-54.7	-63.5	0	0	0	107.7	V271 V275 A310 L333 S334 F337 V344 S345 M346 M347	V271-I273 HydrophobicContact CG1-CD1 4.15Å; V271-I273 HydrophobicContact CG1-CG1 4.48Å; I273-V275 HydrophobicContact CG2-CG2 4.3Å; I273-A310 HydrophobicContact CD1-CB 3.73Å; I273-L333 HydrophobicContact CD1-CB 4.34Å; I273-S334 WeakPolarHBondContact CB-OG 3.42Å; I273-S334 WeakPolarHBondContact CG1-OG 3.29Å; I273-F337 HydrophobicContact CD1-CD2 4.15Å; I273-F337 HydrophobicContact CD1-CE2 4.28Å; I273-V344 HydrophobicContact CG1-CG1 4Å; I273-S345 PolarHBondContact N-O 2.89Å; I273-M346 CarbonylContact O-C 3.56Å; I273-M346 VanDerWaalsContact O-CA 3.31Å; I273-M346 WeakPolarHBondContact O-CA 3.16Å; I273-M347 PolarHBondContact O-N 3.13Å
274	Y	95.2	Very high	89.9	Confident	5 Å²	5	27.8 Å²	27.8	2%	0.02	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	123	178.1	-176.2	-86.6	0	0	0	109.7	M284 V287 A310 L311 V312 M347 D349	Y274-M284 HydrophobicContact CE1-CE 4.28Å; Y274-M284 HydrophobicContact CE1-SD 4.03Å; Y274-V287 HydrophobicContact CE1-CG1 4.48Å; Y274-A310 PolarHBondContact N-O 3.2Å; Y274-L311 HydrophobicContact CD1-CD2 4.24Å; Y274-L311 HydrophobicContact CG-CD2 4.2Å; Y274-L311 WeakPolarHBondContact O-CA 3.02Å; Y274-V312 PolarHBondContact O-N 2.91Å; Y274-M347 HydrophobicContact CD2-CB 3.76Å; Y274-M347 HydrophobicContact CD2-SD 4.01Å; Y274-M347 HydrophobicContact CE2-CB 4.3Å; Y274-D349 HydrophobicContact CE2-CB 4.48Å; Y274-D349 PolarHBondContact OH-OD2 2.98Å
275	V	95.7	Very high	89.9	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	109.3	177.7	-174.6	0	0	0	0	109.2	I273 V312 I327 M346 M347 D349	I273-V275 HydrophobicContact CG2-CG2 4.3Å; V275-V312 WeakPolarHBondContact CA-O 3.36Å; V275-V312 HydrophobicContact CB-CB 4.43Å; V275-V312 HydrophobicContact CG1-CB 4.18Å; V275-V312 HydrophobicContact CG1-CG1 4.29Å; V275-V312 HydrophobicContact CG2-CB 4.13Å; V275-V312 HydrophobicContact CG2-CG2 4.31Å; V275-I327 HydrophobicContact CG1-CD1 4.02Å; V275-M346 HydrophobicContact CB-CE 4.45Å; V275-M346 HydrophobicContact CG2-CE 3.74Å; V275-M347 PolarHBondContact N-O 3.29Å; V275-D349 PolarHBondContact O-N 3.46Å
276	G	93.8	Very high	90	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	102.3	168.7	0	0	0	0	0	109.9	V312 N314 D349	G276-V312 PolarHBondContact N-O 3.16Å; G276-N314 CarbonylContact O-C 3.54Å; G276-N314 VanDerWaalsContact O-CA 3.29Å; G276-N314 WeakPolarHBondContact O-CA 3.37Å; G276-N314 VanDerWaalsContact O-CB 3.31Å; G276-N314 WeakPolarHBondContact O-CB 3.16Å; G276-N314 PolarHBondContact O-N 2.95Å; G276-D349 CarbonylContact C-O 3.44Å; G276-D349 WeakPolarHBondContact CA-O 3.38Å
277	C	93.7	Very high	89.9	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	102.8	177.7	173.1	0	0	0	0	110.6	E279 I327 D349 S350 R353	C277-E279 VanDerWaalsContact C-N 3.3Å; C277-E279 PolarHBondContact O-N 3.31Å; C277-I327 HydrophobicContact CB-CD1 3.94Å; C277-I327 HydrophobicContact CB-CG1 4.31Å; C277-D349 PolarHBondContact N-O 3Å; C277-S350 PolarHBondContact O-N 2.85Å; C277-R353 VanDerWaalsContact O-CB 3.28Å; C277-R353 WeakPolarHBondContact O-CB 3.34Å
278	G	89.3	Confident	89.7	Confident	7 Å²	7	34.7 Å²	34.7	7%	0.072	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	73.9	20.2	175.3	0	0	0	0	0	114.2	N314	G278-N314 WeakPolarHBondContact CA-O 3.48Å; G278-N314 PolarHBondContact N-O 3.1Å
279	E	86.8	Confident	89.5	Confident	17 Å²	17	39.2 Å²	39.2	8%	0.079	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	161.9	178.9	-64.4	-54.2	124.7	0	0	112.2	C277 M284 T315 S316 D349 S350	C277-E279 VanDerWaalsContact C-N 3.3Å; C277-E279 PolarHBondContact O-N 3.31Å; E279-M284 HydrophobicContact CB-CG 4.14Å; E279-M284 HydrophobicContact CB-SD 4.32Å; E279-T315 CarbonylContact O-C 3.55Å; E279-T315 WeakPolarHBondContact O-CA 3.33Å; E279-S316 PolarHBondContact O-N 3.44Å; E279-D349 WeakPolarHBondContact CG-O 3.16Å; E279-D349 VanDerWaalsContact OE1-C 3.24Å; E279-S350 VanDerWaalsContact OE1-CB 3.24Å; E279-S350 WeakPolarHBondContact OE1-CB 3.16Å; E279-S350 PolarHBondContact OE1-N 3.44Å; E279-S350 PolarHBondContact OE1-OG 3.47Å
280	R	86.6	Confident	89	Confident	138 Å²	138	40.6 Å²	40.6	52%	0.521	21%	0.206	S	C	.	.			trans	-69.6	143.6	177.5	-59.8	-172.9	-179.6	124	-7.6	109.9	N282 E283 M284	R280-N282 PolarHBondContact O-N 2.76Å; R280-N282 VanDerWaalsContact O-N 3.14Å; R280-E283 HydrophobicContact CB-CB 4.44Å; R280-E283 HydrophobicContact CB-CG 4.16Å; R280-E283 VanDerWaalsContact CB-OE2 3.3Å; R280-E283 WeakPolarHBondContact CB-OE2 3.48Å; R280-E283 WeakPolarHBondContact CG-OE2 3.34Å; R280-E283 IonicContact CZ-OE1 2.98Å; R280-E283 PolarHBondContact N-OE2 2.84Å; R280-E283 IonicContact NH1-OE1 3.09Å; R280-E283 PolarHBondContact NH1-OE1 2.86Å; R280-E283 PolarHBondContact O-N 3.47Å; R280-M284 PolarHBondContact O-N 3.01Å; R280-M284 VanDerWaalsContact O-N 3.08Å
281	G	83.6	Confident	88.5	Confident	38 Å²	38	38 Å²	38	39%	0.392	19%	0.191	S	C	.	.	H	α-helix	trans	-55.9	-33.2	177.7	0	0	0	0	0	113.3	S285	G281-S285 WeakPolarHBondContact O-CB 3.37Å; G281-S285 PolarHBondContact O-N 3.09Å; G281-S285 PolarHBondContact O-OG 2.79Å
282	N	85.2	Confident	88	Confident	132 Å²	132	41 Å²	41	71%	0.706	21%	0.212	S	C	*	.	H	α-helix	trans	-71.5	-36.2	177.1	-66.3	-11	0	0	0	113.3	R280 S285 E286	R280-N282 PolarHBondContact O-N 2.76Å; R280-N282 VanDerWaalsContact O-N 3.14Å; N282-S285 WeakPolarHBondContact CA-OG 3.47Å; N282-S285 PolarHBondContact O-N 2.95Å; N282-S285 PolarHBondContact O-OG 3.34Å; N282-E286 WeakPolarHBondContact O-CB 3.42Å; N282-E286 PolarHBondContact O-N 3.02Å
283	E	81.6	Confident	87.5	Confident	49 Å²	49	47.9 Å²	47.9	23%	0.229	24%	0.243	C	C	.	.	H	α-helix	trans	-70.5	-39.7	178.1	-68.6	158.6	177.6	0	0	109.3	R280 E286 V287	R280-E283 HydrophobicContact CB-CB 4.44Å; R280-E283 HydrophobicContact CB-CG 4.16Å; R280-E283 VanDerWaalsContact CB-OE2 3.3Å; R280-E283 WeakPolarHBondContact CB-OE2 3.48Å; R280-E283 WeakPolarHBondContact CG-OE2 3.34Å; R280-E283 IonicContact CZ-OE1 2.98Å; R280-E283 PolarHBondContact N-OE2 2.84Å; R280-E283 IonicContact NH1-OE1 3.09Å; R280-E283 PolarHBondContact NH1-OE1 2.86Å; R280-E283 PolarHBondContact O-N 3.47Å; E283-E286 PolarHBondContact O-N 2.88Å; E283-V287 WeakPolarHBondContact O-CG2 3.17Å; E283-V287 PolarHBondContact O-N 3.19Å; E283-V287 VanDerWaalsContact O-N 3.08Å
284	M	84.3	Confident	86.8	Confident	5 Å²	5	49.6 Å²	49.6	3%	0.025	25%	0.253	C	S	.	.	H	α-helix	trans	-65.4	-40.3	172	-71.8	-55	-52.1	0	0	112.6	Y274 E279 R280 V287 L288 A313	Y274-M284 HydrophobicContact CE1-CE 4.28Å; Y274-M284 HydrophobicContact CE1-SD 4.03Å; E279-M284 HydrophobicContact CB-CG 4.14Å; E279-M284 HydrophobicContact CB-SD 4.32Å; R280-M284 PolarHBondContact O-N 3.01Å; R280-M284 VanDerWaalsContact O-N 3.08Å; M284-V287 WeakPolarHBondContact O-CB 3.29Å; M284-V287 PolarHBondContact O-N 3.29Å; M284-L288 VanDerWaalsContact O-CG 3.24Å; M284-L288 WeakPolarHBondContact O-CG 3.29Å; M284-L288 PolarHBondContact O-N 2.86Å; M284-A313 HydrophobicContact CE-CB 3.68Å
285	S	86.1	Confident	86.2	Confident	63 Å²	63	53.5 Å²	53.5	44%	0.441	28%	0.277	S	S	.	.	H	α-helix	trans	-68.7	-34.2	178.3	68.2	0	0	0	0	112.7	G281 N282 L288 R289	G281-S285 WeakPolarHBondContact O-CB 3.37Å; G281-S285 PolarHBondContact O-N 3.09Å; G281-S285 PolarHBondContact O-OG 2.79Å; N282-S285 WeakPolarHBondContact CA-OG 3.47Å; N282-S285 PolarHBondContact O-N 2.95Å; N282-S285 PolarHBondContact O-OG 3.34Å; S285-L288 PolarHBondContact O-N 2.91Å; S285-R289 WeakPolarHBondContact O-CB 3.45Å; S285-R289 PolarHBondContact O-N 2.8Å
286	E	85.6	Confident	85.6	Confident	101 Å²	101	54.8 Å²	54.8	47%	0.472	28%	0.283	S	S	.	.	H	α-helix	trans	-61.4	-47.2	171.4	-178.3	171.8	-153.1	0	0	111	N282 E283 L288 R289 D290	N282-E286 WeakPolarHBondContact O-CB 3.42Å; N282-E286 PolarHBondContact O-N 3.02Å; E283-E286 PolarHBondContact O-N 2.88Å; E286-L288 VanDerWaalsContact C-N 3.32Å; E286-L288 PolarHBondContact O-N 3.13Å; E286-R289 PolarHBondContact O-N 3.21Å; E286-D290 WeakPolarHBondContact O-CB 3.34Å; E286-D290 VanDerWaalsContact O-CG 3.25Å; E286-D290 PolarHBondContact O-N 3.18Å
287	V	84.3	Confident	84.9	Confident	8 Å²	8	61.3 Å²	61.3	5%	0.048	31%	0.314	C	S	.	.	H	α-helix	trans	-56.3	-46.4	173	165.3	0	0	0	0	111.2	Y274 E283 M284 R289 D290 F291 L311	Y274-V287 HydrophobicContact CE1-CG1 4.48Å; E283-V287 WeakPolarHBondContact O-CG2 3.17Å; E283-V287 PolarHBondContact O-N 3.19Å; E283-V287 VanDerWaalsContact O-N 3.08Å; M284-V287 WeakPolarHBondContact O-CB 3.29Å; M284-V287 PolarHBondContact O-N 3.29Å; V287-R289 VanDerWaalsContact C-N 3.34Å; V287-R289 PolarHBondContact O-N 3.23Å; V287-D290 PolarHBondContact O-N 3.32Å; V287-F291 HydrophobicContact CB-CD2 4.44Å; V287-F291 HydrophobicContact CB-CE2 4.26Å; V287-F291 HydrophobicContact CG1-CD2 3.81Å; V287-F291 HydrophobicContact CG1-CE1 4.36Å; V287-F291 HydrophobicContact CG1-CE2 3.59Å; V287-F291 HydrophobicContact CG1-CG 4.29Å; V287-F291 HydrophobicContact CG1-CZ 3.89Å; V287-F291 HydrophobicContact CG2-CE2 4.33Å; V287-F291 VanDerWaalsContact O-CB 3.29Å; V287-F291 WeakPolarHBondContact O-CB 3.34Å; V287-F291 WeakPolarHBondContact O-CD2 3.35Å; V287-F291 WeakPolarHBondContact O-CG 3.24Å; V287-F291 PolarHBondContact O-N 2.85Å; V287-L311 HydrophobicContact CG1-CD1 4.38Å
288	L	84.7	Confident	84.1	Confident	59 Å²	59	63.7 Å²	63.7	31%	0.309	33%	0.328	S	S	.	.	H	α-helix	trans	-66.9	-31	-179.3	-69.5	-179.9	0	0	0	113.9	I98 M284 S285 E286 P292 L311	I98-L288 HydrophobicContact CD1-CD1 4.49Å; I98-L288 HydrophobicContact CD1-CD2 3.45Å; I98-L288 VanDerWaalsContact CD1-CD2 3.45Å; I98-L288 HydrophobicContact CG1-CD2 3.9Å; I98-L288 HydrophobicContact CG2-CD2 4.21Å; M284-L288 VanDerWaalsContact O-CG 3.24Å; M284-L288 WeakPolarHBondContact O-CG 3.29Å; M284-L288 PolarHBondContact O-N 2.86Å; S285-L288 PolarHBondContact O-N 2.91Å; E286-L288 VanDerWaalsContact C-N 3.32Å; E286-L288 PolarHBondContact O-N 3.13Å; L288-P292 WeakPolarHBondContact O-CD 3.36Å; L288-P292 WeakPolarHBondContact O-CG 3.47Å; L288-L311 HydrophobicContact CD2-CD1 3.41Å; L288-L311 VanDerWaalsContact CD2-CD1 3.41Å
289	R	87.3	Confident	83.5	Confident	144 Å²	144	71.1 Å²	71.1	54%	0.543	37%	0.366	S	S	.	.	H	α-helix	trans	-77.8	-45.1	176.3	-176.1	-167.1	64.8	-154.9	-7	111.3	S285 E286 V287 P292	S285-R289 WeakPolarHBondContact O-CB 3.45Å; S285-R289 PolarHBondContact O-N 2.8Å; E286-R289 PolarHBondContact O-N 3.21Å; V287-R289 VanDerWaalsContact C-N 3.34Å; V287-R289 PolarHBondContact O-N 3.23Å; R289-P292 WeakPolarHBondContact O-CD 3.07Å
290	D	84.2	Confident	83	Confident	30 Å²	30	73.1 Å²	73.1	16%	0.16	39%	0.391	C	S	.	.	H	α-helix	trans	-76.6	-35	-171.8	-68.1	8	0	0	0	111.8	Q261 E286 V287 E293 L294	Q261-D290 PolarHBondContact NE2-OD2 3.32Å; E286-D290 WeakPolarHBondContact O-CB 3.34Å; E286-D290 VanDerWaalsContact O-CG 3.25Å; E286-D290 PolarHBondContact O-N 3.18Å; V287-D290 PolarHBondContact O-N 3.32Å; D290-E293 PolarHBondContact O-N 2.93Å; D290-L294 HydrophobicContact CB-CD1 4.49Å; D290-L294 WeakPolarHBondContact O-CD1 3.46Å; D290-L294 WeakPolarHBondContact O-CG 3.17Å; D290-L294 PolarHBondContact O-N 3.19Å
291	F	82.8	Confident	82.8	Confident	1 Å²	1	73.5 Å²	73.5	0%	0.004	40%	0.397	C	S	.	.	H	α-helix	trans	-61	-43.1	-175	-86.1	-135	0	0	0	114.1	Q261 V287 E293 L294 I305 M306 T309 L311	Q261-F291 HydrophobicContact CG-CE2 3.91Å; V287-F291 HydrophobicContact CB-CD2 4.44Å; V287-F291 HydrophobicContact CB-CE2 4.26Å; V287-F291 HydrophobicContact CG1-CD2 3.81Å; V287-F291 HydrophobicContact CG1-CE1 4.36Å; V287-F291 HydrophobicContact CG1-CE2 3.59Å; V287-F291 HydrophobicContact CG1-CG 4.29Å; V287-F291 HydrophobicContact CG1-CZ 3.89Å; V287-F291 HydrophobicContact CG2-CE2 4.33Å; V287-F291 VanDerWaalsContact O-CB 3.29Å; V287-F291 WeakPolarHBondContact O-CB 3.34Å; V287-F291 WeakPolarHBondContact O-CD2 3.35Å; V287-F291 WeakPolarHBondContact O-CG 3.24Å; V287-F291 PolarHBondContact O-N 2.85Å; F291-E293 VanDerWaalsContact C-N 3.35Å; F291-E293 PolarHBondContact O-N 3.22Å; F291-L294 PolarHBondContact O-N 2.8Å; F291-I305 HydrophobicContact CB-CD1 4.44Å; F291-I305 HydrophobicContact CD1-CD1 4.18Å; F291-I305 HydrophobicContact CG-CD1 4.17Å; F291-I305 WeakPolarHBondContact O-CG1 3.34Å; F291-M306 HydrophobicContact CB-SD 4.24Å; F291-T309 HydrophobicContact CD1-CG2 4.08Å; F291-T309 HydrophobicContact CE1-CG2 3.98Å; F291-L311 HydrophobicContact CD1-CD2 4.13Å; F291-L311 HydrophobicContact CE1-CD2 3.97Å
292	P	85.3	Confident	82.8	Confident	65 Å²	65	76.3 Å²	76.3	42%	0.422	41%	0.406	S	S	.	.	H	α-helix	trans	-63.4	-35.8	175	-26.7	36.3	0	0	0	114.3	L288 R289 L294 S304	L288-P292 WeakPolarHBondContact O-CD 3.36Å; L288-P292 WeakPolarHBondContact O-CG 3.47Å; R289-P292 WeakPolarHBondContact O-CD 3.07Å; P292-L294 VanDerWaalsContact C-N 3.27Å; P292-L294 PolarHBondContact O-N 3.02Å; P292-S304 PolarHBondContact O-OG 3.2Å
293	E	84.9	Confident	82.9	Confident	143 Å²	143	71.8 Å²	71.8	67%	0.668	38%	0.381	S	S	*	.	H	α-helix	trans	-72.1	-23.3	-178.9	-64.3	-178	-177.9	0	0	112.7	D290 F291	D290-E293 PolarHBondContact O-N 2.93Å; F291-E293 VanDerWaalsContact C-N 3.35Å; F291-E293 PolarHBondContact O-N 3.22Å
294	L	81.4	Confident	83.3	Confident	37 Å²	37	70.6 Å²	70.6	19%	0.194	38%	0.378	C	S	.	.			trans	-79.1	128.6	-178	-68.7	163.6	0	0	0	111	K265 D290 F291 P292 S304 I305	K265-L294 HydrophobicContact CD-CD1 3.85Å; K265-L294 HydrophobicContact CD-CD2 3.94Å; K265-L294 HydrophobicContact CD-CG 4.47Å; K265-L294 HydrophobicContact CG-CD1 3.95Å; D290-L294 HydrophobicContact CB-CD1 4.49Å; D290-L294 WeakPolarHBondContact O-CD1 3.46Å; D290-L294 WeakPolarHBondContact O-CG 3.17Å; D290-L294 PolarHBondContact O-N 3.19Å; F291-L294 PolarHBondContact O-N 2.8Å; P292-L294 VanDerWaalsContact C-N 3.27Å; P292-L294 PolarHBondContact O-N 3.02Å; L294-S304 WeakPolarHBondContact O-CA 3.35Å; L294-I305 HydrophobicContact CB-CD1 3.56Å; L294-I305 HydrophobicContact CB-CG1 3.8Å; L294-I305 HydrophobicContact CB-CG2 4.44Å; L294-I305 HydrophobicContact CD1-CD1 3.72Å; L294-I305 HydrophobicContact CG-CD1 4.32Å; L294-I305 PolarHBondContact O-N 2.63Å
295	T	83.6	Confident	83.5	Confident	86 Å²	86	70.5 Å²	70.5	53%	0.528	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	153.6	-179.6	56.4	0	0	0	0	111.2	V302 E303	T295-V302 VanDerWaalsContact CB-CG1 3.45Å; T295-V302 HydrophobicContact CG2-CG1 3.87Å; T295-E303 CarbonylContact C-O 3.4Å; T295-E303 VanDerWaalsContact CA-O 3.26Å; T295-E303 WeakPolarHBondContact CA-O 3.15Å
296	M	82.1	Confident	83.7	Confident	28 Å²	28	68.7 Å²	68.7	14%	0.138	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	156.1	172.3	63.4	171	-169.9	0	0	109.9	L161 V298 V302 E303 I305 R308	L161-M296 HydrophobicContact CD1-CE 3.07Å; L161-M296 HydrophobicContact CD2-CE 4.41Å; L161-M296 HydrophobicContact CG-CE 4.35Å; M296-V298 HydrophobicContact CE-CG2 3.54Å; M296-V298 HydrophobicContact CG-CG2 4.17Å; M296-V298 HydrophobicContact SD-CG2 3.93Å; M296-V302 WeakPolarHBondContact O-CA 3.28Å; M296-E303 PolarHBondContact N-O 3.41Å; M296-E303 PolarHBondContact O-N 3.02Å; M296-I305 HydrophobicContact CB-CG2 4.39Å; M296-I305 HydrophobicContact CG-CG2 4.26Å; M296-R308 HydrophobicContact CE-CG 4.17Å; M296-R308 PolarHBondContact SD-NE 2.86Å; M296-R308 VanDerWaalsContact SD-NE 3.43Å; M296-R308 PolarHBondContact SD-NH1 2.66Å; M296-R308 VanDerWaalsContact SD-NH1 3.43Å; M296-R308 PolarHBondContact SD-NH2 2.76Å; M296-R308 VanDerWaalsContact SD-NH2 3.35Å
297	E	79	Confident	84	Confident	136 Å²	136	67.2 Å²	67.2	64%	0.636	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.4	118.4	176.7	-169.9	176.9	169.7	0	0	109.5	K301	E297-K301 WeakPolarHBondContact CA-O 3.38Å
298	V	77.8	Confident	84.4	Confident	51 Å²	51	67.6 Å²	67.6	31%	0.309	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	126.5	173.9	-178.6	0	0	0	0	107.5	L161 M296 G300 K301	L161-V298 HydrophobicContact CD1-CB 4.24Å; L161-V298 HydrophobicContact CD1-CG1 4.46Å; L161-V298 HydrophobicContact CD1-CG2 3.96Å; M296-V298 HydrophobicContact CE-CG2 3.54Å; M296-V298 HydrophobicContact CG-CG2 4.17Å; M296-V298 HydrophobicContact SD-CG2 3.93Å; V298-G300 PolarHBondContact O-N 2.73Å; V298-G300 VanDerWaalsContact O-N 3.17Å; V298-K301 PolarHBondContact N-O 3.19Å; V298-K301 PolarHBondContact O-N 3.02Å
299	D	77.4	Confident	84.8	Confident	163 Å²	163	64.8 Å²	64.8	87%	0.872	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	37.1	-177.7	-57.4	-34.3	0	0	0	113.9	K301	D299-K301 PolarHBondContact O-N 3.2Å
300	G	74.4	Confident	85.2	Confident	58 Å²	58	58 Å²	58	60%	0.598	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.7	8.8	-179.2	0	0	0	0	0	114.9	V298	V298-G300 PolarHBondContact O-N 2.73Å; V298-G300 VanDerWaalsContact O-N 3.17Å
301	K	82.8	Confident	85.7	Confident	146 Å²	146	56.5 Å²	56.5	64%	0.635	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.6	135.6	173.9	-69	-179.3	-178.4	174.8	0	110.7	E297 V298 D299	E297-K301 WeakPolarHBondContact CA-O 3.38Å; V298-K301 PolarHBondContact N-O 3.19Å; V298-K301 PolarHBondContact O-N 3.02Å; D299-K301 PolarHBondContact O-N 3.2Å
302	V	84.6	Confident	86.3	Confident	98 Å²	98	56.5 Å²	56.5	59%	0.594	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	115.1	174.8	-177.2	0	0	0	0	108.4	T295 M296	T295-V302 VanDerWaalsContact CB-CG1 3.45Å; T295-V302 HydrophobicContact CG2-CG1 3.87Å; M296-V302 WeakPolarHBondContact O-CA 3.28Å
303	E	86.2	Confident	86.7	Confident	36 Å²	36	53.6 Å²	53.6	17%	0.168	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	147.7	-178.3	-73	-72.4	-167.1	0	0	110.9	S160 T295 M296 K307	S160-E303 VanDerWaalsContact CB-OE1 3.26Å; S160-E303 WeakPolarHBondContact CB-OE1 3.49Å; S160-E303 PolarHBondContact OG-OE1 2.92Å; S160-E303 PolarHBondContact OG-OE2 3.09Å; T295-E303 CarbonylContact C-O 3.4Å; T295-E303 VanDerWaalsContact CA-O 3.26Å; T295-E303 WeakPolarHBondContact CA-O 3.15Å; M296-E303 PolarHBondContact N-O 3.41Å; M296-E303 PolarHBondContact O-N 3.02Å; E303-K307 IonicContact OE1-NZ 2.86Å; E303-K307 WeakPolarHBondContact OE2-CD 3.39Å; E303-K307 WeakPolarHBondContact OE2-CE 3.42Å; E303-K307 IonicContact OE2-NZ 2.77Å; E303-K307 PolarHBondContact OE2-NZ 3.17Å
304	S	90.4	Very high	87.1	Confident	25 Å²	25	46.8 Å²	46.8	18%	0.175	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	140.4	177.3	177	0	0	0	0	111.1	P292 L294 M306 K307	P292-S304 PolarHBondContact O-OG 3.2Å; L294-S304 WeakPolarHBondContact O-CA 3.35Å; S304-M306 PolarHBondContact O-N 3.4Å; S304-M306 PolarHBondContact OG-N 2.85Å; S304-K307 PolarHBondContact O-N 3.03Å
305	I	89.4	Confident	87.6	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.01	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-64.9	-22.8	176.9	66	169.4	0	0	0	112.5	K265 F291 L294 M296 K307 R308 T309	K265-I305 HydrophobicContact CG-CD1 4.23Å; F291-I305 HydrophobicContact CB-CD1 4.44Å; F291-I305 HydrophobicContact CD1-CD1 4.18Å; F291-I305 HydrophobicContact CG-CD1 4.17Å; F291-I305 WeakPolarHBondContact O-CG1 3.34Å; L294-I305 HydrophobicContact CB-CD1 3.56Å; L294-I305 HydrophobicContact CB-CG1 3.8Å; L294-I305 HydrophobicContact CB-CG2 4.44Å; L294-I305 HydrophobicContact CD1-CD1 3.72Å; L294-I305 HydrophobicContact CG-CD1 4.32Å; L294-I305 PolarHBondContact O-N 2.63Å; M296-I305 HydrophobicContact CB-CG2 4.39Å; M296-I305 HydrophobicContact CG-CG2 4.26Å; I305-K307 PolarHBondContact O-N 2.96Å; I305-R308 VanDerWaalsContact O-CG 3.29Å; I305-R308 WeakPolarHBondContact O-CG 3.39Å; I305-R308 PolarHBondContact O-N 3.22Å; I305-R308 VanDerWaalsContact O-N 3.12Å; I305-T309 WeakPolarHBondContact O-CB 3.42Å; I305-T309 PolarHBondContact O-N 2.92Å; I305-T309 PolarHBondContact O-OG1 3.28Å
306	M	89.7	Confident	87.8	Confident	25 Å²	25	45.2 Å²	45.2	12%	0.123	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-62.1	-28.8	179	-164.4	64	-166.7	0	0	111.8	G96 I98 F291 S304 R308 T309 L311	G96-M306 VanDerWaalsContact CA-O 3.28Å; G96-M306 WeakPolarHBondContact CA-O 3.44Å; G96-M306 PolarHBondContact N-O 3.2Å; G96-M306 WeakPolarHBondContact O-CE 3.45Å; I98-M306 HydrophobicContact CG1-CE 4.04Å; F291-M306 HydrophobicContact CB-SD 4.24Å; S304-M306 PolarHBondContact O-N 3.4Å; S304-M306 PolarHBondContact OG-N 2.85Å; M306-R308 PolarHBondContact O-N 2.96Å; M306-T309 PolarHBondContact O-N 2.88Å; M306-T309 VanDerWaalsContact O-O 3.1Å; M306-L311 HydrophobicContact CE-CD1 3.86Å; M306-L311 HydrophobicContact CE-CG 4.08Å; M306-L311 HydrophobicContact SD-CD1 4.25Å
307	K	91.3	Very high	88.1	Confident	70 Å²	70	50.6 Å²	50.6	30%	0.304	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-67.1	-15.3	177.9	-71.1	-176.5	174.5	179.2	0	114.5	N159 S160 E303 S304 I305	N159-K307 HydrophobicContact CB-CB 4.23Å; N159-K307 HydrophobicContact CB-CD 4.48Å; N159-K307 WeakPolarHBondContact ND2-CA 3.46Å; N159-K307 PolarHBondContact ND2-O 2.95Å; S160-K307 PolarHBondContact OG-NZ 3.46Å; E303-K307 IonicContact OE1-NZ 2.86Å; E303-K307 WeakPolarHBondContact OE2-CD 3.39Å; E303-K307 WeakPolarHBondContact OE2-CE 3.42Å; E303-K307 IonicContact OE2-NZ 2.77Å; E303-K307 PolarHBondContact OE2-NZ 3.17Å; S304-K307 PolarHBondContact O-N 3.03Å; I305-K307 PolarHBondContact O-N 2.96Å
308	R	93	Very high	88.7	Confident	17 Å²	17	45.8 Å²	45.8	6%	0.064	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-119.1	9.2	176.6	68.5	162.4	-178.1	-178.4	1.5	113.3	L161 I162 S264 K265 S269 D270 V271 I272 M296 I305 M306	L161-R308 HydrophobicContact CD2-CB 4.18Å; I162-R308 HydrophobicContact CD1-CB 4.25Å; I162-R308 HydrophobicContact CG1-CB 4.21Å; S264-R308 PolarHBondContact O-NH2 2.94Å; K265-R308 PolarHBondContact O-NH2 2.81Å; S269-R308 PolarHBondContact O-NH1 2.89Å; D270-R308 WeakPolarHBondContact O-CD 3.35Å; V271-R308 WeakPolarHBondContact CA-O 3.26Å; I272-R308 PolarHBondContact N-O 3.08Å; M296-R308 HydrophobicContact CE-CG 4.17Å; M296-R308 PolarHBondContact SD-NE 2.86Å; M296-R308 VanDerWaalsContact SD-NE 3.43Å; M296-R308 PolarHBondContact SD-NH1 2.66Å; M296-R308 VanDerWaalsContact SD-NH1 3.43Å; M296-R308 PolarHBondContact SD-NH2 2.76Å; M296-R308 VanDerWaalsContact SD-NH2 3.35Å; I305-R308 VanDerWaalsContact O-CG 3.29Å; I305-R308 WeakPolarHBondContact O-CG 3.39Å; I305-R308 PolarHBondContact O-N 3.22Å; I305-R308 VanDerWaalsContact O-N 3.12Å; M306-R308 PolarHBondContact O-N 2.96Å
309	T	93.8	Very high	89.2	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	136.1	-174.7	-53.4	0	0	0	0	110	G96 I272 F291 I305 M306 L311	G96-T309 WeakPolarHBondContact CA-O 3.24Å; G96-T309 PolarHBondContact N-O 3.47Å; I272-T309 HydrophobicContact CB-CG2 4.08Å; I272-T309 HydrophobicContact CG2-CG2 4.12Å; I272-T309 VanDerWaalsContact O-CA 3.26Å; I272-T309 WeakPolarHBondContact O-CA 3.26Å; F291-T309 HydrophobicContact CD1-CG2 4.08Å; F291-T309 HydrophobicContact CE1-CG2 3.98Å; I305-T309 WeakPolarHBondContact O-CB 3.42Å; I305-T309 PolarHBondContact O-N 2.92Å; I305-T309 PolarHBondContact O-OG1 3.28Å; M306-T309 PolarHBondContact O-N 2.88Å; M306-T309 VanDerWaalsContact O-O 3.1Å; T309-L311 HydrophobicContact CG2-CD2 3.7Å; T309-L311 HydrophobicContact CG2-CG 4.44Å
310	A	95.2	Very high	89.8	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	140.6	166.3	0	0	0	0	0	109.8	I94 I272 I273 Y274	I94-A310 HydrophobicContact CG2-CB 3.96Å; I272-A310 PolarHBondContact O-N 3.21Å; I273-A310 HydrophobicContact CD1-CB 3.73Å; Y274-A310 PolarHBondContact N-O 3.2Å
311	L	94.6	Very high	90.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	131	-174.9	-55.6	-179	0	0	0	109.9	A97 I98 F99 Y274 V287 L288 F291 M306 T309	A97-L311 PolarHBondContact O-N 3.47Å; I98-L311 WeakPolarHBondContact CA-O 3.4Å; I98-L311 HydrophobicContact CG1-CB 4.37Å; I98-L311 HydrophobicContact CG1-CD1 4.3Å; I98-L311 HydrophobicContact CG2-CB 4.31Å; F99-L311 PolarHBondContact N-O 2.87Å; Y274-L311 HydrophobicContact CD1-CD2 4.24Å; Y274-L311 HydrophobicContact CG-CD2 4.2Å; Y274-L311 WeakPolarHBondContact O-CA 3.02Å; V287-L311 HydrophobicContact CG1-CD1 4.38Å; L288-L311 HydrophobicContact CD2-CD1 3.41Å; L288-L311 VanDerWaalsContact CD2-CD1 3.41Å; F291-L311 HydrophobicContact CD1-CD2 4.13Å; F291-L311 HydrophobicContact CE1-CD2 3.97Å; M306-L311 HydrophobicContact CE-CD1 3.86Å; M306-L311 HydrophobicContact CE-CG 4.08Å; M306-L311 HydrophobicContact SD-CD1 4.25Å; T309-L311 HydrophobicContact CG2-CD2 3.7Å; T309-L311 HydrophobicContact CG2-CG 4.44Å
312	V	95.7	Very high	90.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	104	169	-176.9	0	0	0	0	107.1	F99 Y274 V275 G276 T329 L333	F99-V312 CarbonylContact O-C 3.57Å; F99-V312 WeakPolarHBondContact O-CA 3.33Å; Y274-V312 PolarHBondContact O-N 2.91Å; V275-V312 WeakPolarHBondContact CA-O 3.36Å; V275-V312 HydrophobicContact CB-CB 4.43Å; V275-V312 HydrophobicContact CG1-CB 4.18Å; V275-V312 HydrophobicContact CG1-CG1 4.29Å; V275-V312 HydrophobicContact CG2-CB 4.13Å; V275-V312 HydrophobicContact CG2-CG2 4.31Å; G276-V312 PolarHBondContact N-O 3.16Å; V312-T329 HydrophobicContact CG2-CG2 4.42Å; V312-L333 HydrophobicContact CG2-CD1 4.15Å
313	A	93.4	Very high	91.2	Very high	4 Å²	4	25.9 Å²	25.9	3%	0.033	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	106.4	-175.1	0	0	0	0	0	110.5	I98 F99 L106 M284	I98-A313 HydrophobicContact CG2-CB 4.14Å; F99-A313 PolarHBondContact O-N 2.92Å; L106-A313 HydrophobicContact CD1-CB 4.11Å; M284-A313 HydrophobicContact CE-CB 3.68Å
314	N	93.3	Very high	91.4	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	100.6	169.6	-170.9	89.9	0	0	0	110.7	G276 G278 M318 A322 R323	G276-N314 CarbonylContact O-C 3.54Å; G276-N314 VanDerWaalsContact O-CA 3.29Å; G276-N314 WeakPolarHBondContact O-CA 3.37Å; G276-N314 VanDerWaalsContact O-CB 3.31Å; G276-N314 WeakPolarHBondContact O-CB 3.16Å; G276-N314 PolarHBondContact O-N 2.95Å; G278-N314 WeakPolarHBondContact CA-O 3.48Å; G278-N314 PolarHBondContact N-O 3.1Å; N314-M318 HydrophobicContact CB-SD 4.4Å; N314-A322 VanDerWaalsContact OD1-CB 3.31Å; N314-A322 WeakPolarHBondContact OD1-CB 3.38Å; N314-R323 WeakPolarHBondContact ND2-CG 3.44Å
315	T	91.9	Very high	91.5	Very high	29 Å²	29	23.4 Å²	23.4	18%	0.178	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	164.1	-178.1	67.4	0	0	0	0	112.6	E279 N317 M318	E279-T315 CarbonylContact O-C 3.55Å; E279-T315 WeakPolarHBondContact O-CA 3.33Å; T315-N317 PolarHBondContact O-N 3.21Å; T315-M318 PolarHBondContact N-SD 2.7Å; T315-M318 VanDerWaalsContact N-SD 3.44Å; T315-M318 WeakPolarHBondContact O-CB 3.39Å; T315-M318 PolarHBondContact O-N 2.89Å
316	S	88.1	Confident	91.7	Very high	61 Å²	61	23.3 Å²	23.3	43%	0.427	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-25.1	174.4	59.9	0	0	0	0	113.9	E279 M318 R323	E279-S316 PolarHBondContact O-N 3.44Å; S316-M318 VanDerWaalsContact C-N 3.33Å; S316-R323 PolarHBondContact O-NH2 2.84Å
317	N	88.9	Confident	92.1	Very high	141 Å²	141	22.1 Å²	22.1	75%	0.754	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-14.5	175.8	-165.4	39.1	0	0	0	113.1	T315	T315-N317 PolarHBondContact O-N 3.21Å
318	M	90	Very high	92.3	Very high	34 Å²	34	19.1 Å²	19.1	17%	0.167	11%	0.108	C	C	.	.	S	Bend	trans	-77.2	155.1	176.1	-72.4	173.7	175.8	0	0	111.2	I118 N314 T315 S316	I118-M318 HydrophobicContact CD1-CE 3.73Å; N314-M318 HydrophobicContact CB-SD 4.4Å; T315-M318 PolarHBondContact N-SD 2.7Å; T315-M318 VanDerWaalsContact N-SD 3.44Å; T315-M318 WeakPolarHBondContact O-CB 3.39Å; T315-M318 PolarHBondContact O-N 2.89Å; S316-M318 VanDerWaalsContact C-N 3.33Å
319	P	89.9	Confident	92.5	Very high	37 Å²	37	18.3 Å²	18.3	24%	0.24	11%	0.105	C	C	.	.			trans	-52.6	145.7	-177.9	-29.2	36.8	0	0	0	114	Y67 A321 A322 R323	Y67-P319 VanDerWaalsContact O-CB 3.26Å; Y67-P319 WeakPolarHBondContact O-CB 3.49Å; Y67-P319 VanDerWaalsContact O-CG 3.26Å; Y67-P319 WeakPolarHBondContact O-CG 3.28Å; P319-A321 VanDerWaalsContact C-N 3.3Å; P319-A321 PolarHBondContact O-N 2.62Å; P319-A322 WeakPolarHBondContact O-CB 3.36Å; P319-A322 PolarHBondContact O-N 3.38Å; P319-A322 VanDerWaalsContact O-N 3.1Å; P319-R323 PolarHBondContact O-N 2.79Å
320	V	89.1	Confident	92.6	Very high	22 Å²	22	18.3 Å²	18.3	13%	0.133	11%	0.105	C	C	.	.	H	α-helix	trans	-62.8	-38.9	-174.6	180	0	0	0	0	111.7	A322 R323 A357 E360	V320-A322 VanDerWaalsContact C-N 3.3Å; V320-A322 PolarHBondContact O-N 3.17Å; V320-R323 VanDerWaalsContact O-CB 3.26Å; V320-R323 WeakPolarHBondContact O-CB 3.38Å; V320-R323 PolarHBondContact O-N 3.49Å; V320-A357 VanDerWaalsContact CG1-CA 3.47Å; V320-A357 HydrophobicContact CG1-CB 3.44Å; V320-A357 VanDerWaalsContact CG1-CB 3.44Å; V320-E360 HydrophobicContact CG1-CB 4.23Å; V320-E360 VanDerWaalsContact CG2-OE2 3.32Å; V320-E360 WeakPolarHBondContact CG2-OE2 3.46Å
321	A	88.5	Confident	92.7	Very high	2 Å²	2	18.3 Å²	18.3	2%	0.017	11%	0.105	C	C	.	.	H	α-helix	trans	-63.9	-34.4	177.4	0	0	0	0	0	112.6	Q65 Y67 P319 R323 E324 A325	Q65-A321 HydrophobicContact CG-CB 3.76Å; Y67-A321 VanDerWaalsContact CD1-C 3.46Å; Y67-A321 HydrophobicContact CD1-CB 3.34Å; Y67-A321 HydrophobicContact CE1-CB 3.81Å; Y67-A321 WeakPolarHBondContact CE1-O 3.48Å; Y67-A321 HydrophobicContact CG-CB 4.34Å; P319-A321 VanDerWaalsContact C-N 3.3Å; P319-A321 PolarHBondContact O-N 2.62Å; A321-R323 PolarHBondContact O-N 3.19Å; A321-E324 PolarHBondContact O-N 3.44Å; A321-A325 PolarHBondContact O-N 3.47Å
322	A	90.1	Very high	92.8	Very high	7 Å²	7	18.3 Å²	18.3	6%	0.058	11%	0.105	C	C	.	.	H	α-helix	trans	-68.1	-24.5	178	0	0	0	0	0	112.4	N314 P319 V320 A325 S326	N314-A322 VanDerWaalsContact OD1-CB 3.31Å; N314-A322 WeakPolarHBondContact OD1-CB 3.38Å; P319-A322 WeakPolarHBondContact O-CB 3.36Å; P319-A322 PolarHBondContact O-N 3.38Å; P319-A322 VanDerWaalsContact O-N 3.1Å; V320-A322 VanDerWaalsContact C-N 3.3Å; V320-A322 PolarHBondContact O-N 3.17Å; A322-A325 PolarHBondContact O-N 3.5Å; A322-S326 WeakPolarHBondContact O-CB 3.23Å; A322-S326 PolarHBondContact O-N 2.89Å
323	R	92	Very high	92.9	Very high	30 Å²	30	18.3 Å²	18.3	11%	0.113	11%	0.105	C	C	.	.	H	α-helix	trans	-61.5	-47.5	172.2	-64.5	173.1	-173.9	-172.1	6.2	111.2	N314 S316 P319 V320 A321 S326 A357	N314-R323 WeakPolarHBondContact ND2-CG 3.44Å; S316-R323 PolarHBondContact O-NH2 2.84Å; P319-R323 PolarHBondContact O-N 2.79Å; V320-R323 VanDerWaalsContact O-CB 3.26Å; V320-R323 WeakPolarHBondContact O-CB 3.38Å; V320-R323 PolarHBondContact O-N 3.49Å; A321-R323 PolarHBondContact O-N 3.19Å; R323-S326 PolarHBondContact O-N 3.26Å; R323-S326 PolarHBondContact O-OG 3.12Å; R323-A357 HydrophobicContact CB-CB 4.1Å
324	E	91.1	Very high	93.1	Very high	8 Å²	8	18.1 Å²	18.1	4%	0.037	10%	0.103	C	C	.	.	H	α-helix	trans	-62.4	-47.1	175.9	175.6	178.4	-179.5	0	0	111.3	R212 A321 S326 I327 Y328 L358	R212-E324 IonicContact CZ-OE1 2.72Å; R212-E324 IonicContact NH1-OE1 3.04Å; R212-E324 PolarHBondContact NH1-OE1 2.96Å; R212-E324 IonicContact NH2-OE1 3.6Å; R212-E324 PolarHBondContact NH2-OE1 3.34Å; A321-E324 PolarHBondContact O-N 3.44Å; E324-S326 VanDerWaalsContact C-N 3.29Å; E324-S326 PolarHBondContact O-N 3.11Å; E324-I327 PolarHBondContact O-N 3.17Å; E324-Y328 HydrophobicContact CG-CD2 3.98Å; E324-Y328 HydrophobicContact CG-CE2 3.54Å; E324-Y328 VanDerWaalsContact O-CD2 3.23Å; E324-Y328 WeakPolarHBondContact O-CD2 3.4Å; E324-Y328 WeakPolarHBondContact OE1-CE2 3.42Å; E324-L358 HydrophobicContact CG-CD2 4.42Å
325	A	92	Very high	93.3	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.008	10%	0.103	C	C	.	.	H	α-helix	trans	-59.3	-39.3	178.4	0	0	0	0	0	112.3	Y67 L86 G101 I102 A321 A322 I327 Y328 T329	Y67-A325 HydrophobicContact CD1-CB 4.48Å; Y67-A325 HydrophobicContact CE1-CB 4.11Å; L86-A325 HydrophobicContact CD2-CB 3.88Å; G101-A325 CarbonylContact O-C 3.51Å; G101-A325 WeakPolarHBondContact O-CB 3.41Å; I102-A325 HydrophobicContact CG2-CB 4.31Å; A321-A325 PolarHBondContact O-N 3.47Å; A322-A325 PolarHBondContact O-N 3.5Å; A325-I327 VanDerWaalsContact C-N 3.33Å; A325-I327 PolarHBondContact O-N 3.15Å; A325-Y328 PolarHBondContact O-N 3.41Å; A325-Y328 VanDerWaalsContact O-N 3.15Å; A325-T329 WeakPolarHBondContact O-CB 3.32Å; A325-T329 PolarHBondContact O-N 3.14Å; A325-T329 PolarHBondContact O-OG1 2.77Å; A325-T329 VanDerWaalsContact O-OG1 3.05Å
326	S	95.3	Very high	93.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-58.3	-40.5	-177.4	74.4	0	0	0	0	113.5	G101 A322 R323 E324 T329 G330	G101-S326 PolarHBondContact O-N 3.21Å; A322-S326 WeakPolarHBondContact O-CB 3.23Å; A322-S326 PolarHBondContact O-N 2.89Å; R323-S326 PolarHBondContact O-N 3.26Å; R323-S326 PolarHBondContact O-OG 3.12Å; E324-S326 VanDerWaalsContact C-N 3.29Å; E324-S326 PolarHBondContact O-N 3.11Å; S326-T329 PolarHBondContact O-N 2.59Å; S326-G330 PolarHBondContact O-N 3Å
327	I	96.1	Very high	94	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-66	-45.4	178.2	-64.8	-66.6	0	0	0	110.3	V275 C277 E324 A325 G330 I331 A348 W354 F385	V275-I327 HydrophobicContact CG1-CD1 4.02Å; C277-I327 HydrophobicContact CB-CD1 3.94Å; C277-I327 HydrophobicContact CB-CG1 4.31Å; E324-I327 PolarHBondContact O-N 3.17Å; A325-I327 VanDerWaalsContact C-N 3.33Å; A325-I327 PolarHBondContact O-N 3.15Å; I327-G330 PolarHBondContact O-N 2.79Å; I327-I331 WeakPolarHBondContact O-CG2 3.35Å; I327-I331 PolarHBondContact O-N 3.21Å; I327-A348 HydrophobicContact CD1-CB 4.02Å; I327-W354 HydrophobicContact CG1-CB 4.26Å; I327-W354 HydrophobicContact CG1-CD2 4.25Å; I327-W354 HydrophobicContact CG1-CE3 4.49Å; I327-W354 HydrophobicContact CG1-CG 4.14Å; I327-W354 HydrophobicContact CG2-CE3 4.36Å; I327-W354 HydrophobicContact CG2-CZ3 4.36Å; I327-F385 HydrophobicContact CG2-CD2 3.52Å; I327-F385 HydrophobicContact CG2-CE2 3.41Å; I327-F385 VanDerWaalsContact CG2-CE2 3.41Å; I327-F385 HydrophobicContact CG2-CG 4.19Å; I327-F385 HydrophobicContact CG2-CZ 4Å
328	Y	96.2	Very high	94.4	Very high	8 Å²	8	7.5 Å²	7.5	3%	0.031	4%	0.04	C	C	.	.	H	α-helix	trans	-68.1	-36.2	178.5	-66.9	-60.4	0	0	0	113	R212 E324 A325 I331 T332 W354 R381	R212-Y328 VanDerWaalsContact NH1-CE2 3.27Å; E324-Y328 HydrophobicContact CG-CD2 3.98Å; E324-Y328 HydrophobicContact CG-CE2 3.54Å; E324-Y328 VanDerWaalsContact O-CD2 3.23Å; E324-Y328 WeakPolarHBondContact O-CD2 3.4Å; E324-Y328 WeakPolarHBondContact OE1-CE2 3.42Å; A325-Y328 PolarHBondContact O-N 3.41Å; A325-Y328 VanDerWaalsContact O-N 3.15Å; Y328-I331 VanDerWaalsContact O-CG2 3.23Å; Y328-I331 WeakPolarHBondContact O-CG2 3.43Å; Y328-T332 WeakPolarHBondContact O-CB 3.45Å; Y328-T332 PolarHBondContact O-N 3.19Å; Y328-T332 VanDerWaalsContact O-N 3.11Å; Y328-T332 PolarHBondContact O-OG1 2.83Å; Y328-W354 HydrophobicContact CE2-CZ2 4.41Å; Y328-R381 WeakPolarHBondContact OH-CD 3.25Å
329	T	96.4	Very high	94.7	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-61.1	-52.8	172.9	-64.7	0	0	0	0	110	V88 G101 Q103 V312 A325 S326 I331 T332 L333	V88-T329 HydrophobicContact CG1-CG2 3.9Å; G101-T329 PolarHBondContact O-OG1 2.87Å; G101-T329 VanDerWaalsContact O-OG1 3.13Å; Q103-T329 HydrophobicContact CB-CG2 4.19Å; Q103-T329 HydrophobicContact CG-CG2 4.3Å; V312-T329 HydrophobicContact CG2-CG2 4.42Å; A325-T329 WeakPolarHBondContact O-CB 3.32Å; A325-T329 PolarHBondContact O-N 3.14Å; A325-T329 PolarHBondContact O-OG1 2.77Å; A325-T329 VanDerWaalsContact O-OG1 3.05Å; S326-T329 PolarHBondContact O-N 2.59Å; T329-I331 PolarHBondContact O-N 2.85Å; T329-T332 PolarHBondContact O-N 3.2Å; T329-T332 VanDerWaalsContact O-N 3.17Å; T329-L333 HydrophobicContact CG2-CD1 4.33Å; T329-L333 WeakPolarHBondContact O-CG 3.43Å; T329-L333 PolarHBondContact O-N 2.89Å
330	G	96.6	Very high	95	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.023	C	C	.	.	H	α-helix	trans	-63.7	-39.6	-178.3	0	0	0	0	0	114.5	S326 I327 T332 L333 S334	S326-G330 PolarHBondContact O-N 3Å; I327-G330 PolarHBondContact O-N 2.79Å; G330-T332 VanDerWaalsContact C-N 3.31Å; G330-T332 PolarHBondContact O-N 3.41Å; G330-L333 PolarHBondContact O-N 2.87Å; G330-S334 WeakPolarHBondContact O-CB 3.43Å; G330-S334 PolarHBondContact O-N 3.31Å; G330-S334 PolarHBondContact O-OG 2.75Å
331	I	97.6	Very high	95.3	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-67.8	-34.1	175.5	-170.8	61.7	0	0	0	111.7	I327 Y328 T329 S334 E335 M346 F385 R388 V404 I406	I327-I331 WeakPolarHBondContact O-CG2 3.35Å; I327-I331 PolarHBondContact O-N 3.21Å; Y328-I331 VanDerWaalsContact O-CG2 3.23Å; Y328-I331 WeakPolarHBondContact O-CG2 3.43Å; T329-I331 PolarHBondContact O-N 2.85Å; I331-S334 WeakPolarHBondContact O-CB 3.44Å; I331-S334 PolarHBondContact O-N 2.92Å; I331-E335 WeakPolarHBondContact O-CG 3.35Å; I331-E335 PolarHBondContact O-N 3.43Å; I331-M346 VanDerWaalsContact CA-SD 3.58Å; I331-M346 HydrophobicContact CB-CE 4.17Å; I331-M346 HydrophobicContact CB-SD 3.77Å; I331-M346 HydrophobicContact CD1-SD 3.64Å; I331-M346 HydrophobicContact CG1-SD 4.3Å; I331-F385 HydrophobicContact CB-CD2 4.37Å; I331-F385 HydrophobicContact CB-CE2 4.05Å; I331-F385 HydrophobicContact CD1-CE2 4.49Å; I331-F385 HydrophobicContact CG1-CE2 4.37Å; I331-F385 HydrophobicContact CG2-CD2 4.49Å; I331-R388 HydrophobicContact CD1-CB 4.1Å; I331-R388 HydrophobicContact CG1-CB 3.88Å; I331-R388 VanDerWaalsContact CG2-CZ 3.46Å; I331-R388 VanDerWaalsContact CG2-NH1 3.29Å; I331-V404 HydrophobicContact CD1-CG1 4.08Å; I331-I406 HydrophobicContact CD1-CD1 3.61Å; I331-I406 HydrophobicContact CD1-CG1 4.18Å
332	T	97.5	Very high	95.7	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-69.5	-39.2	177.6	-56.9	0	0	0	0	111.5	V88 W209 V211 Y328 T329 G330 S334 E335 Y336 R388	V88-T332 HydrophobicContact CG2-CG2 3.56Å; W209-T332 HydrophobicContact CB-CG2 4.48Å; W209-T332 HydrophobicContact CG-CG2 4.4Å; V211-T332 WeakPolarHBondContact CA-OG1 3.35Å; V211-T332 PolarHBondContact O-OG1 2.86Å; Y328-T332 WeakPolarHBondContact O-CB 3.45Å; Y328-T332 PolarHBondContact O-N 3.19Å; Y328-T332 VanDerWaalsContact O-N 3.11Å; Y328-T332 PolarHBondContact O-OG1 2.83Å; T329-T332 PolarHBondContact O-N 3.2Å; T329-T332 VanDerWaalsContact O-N 3.17Å; G330-T332 VanDerWaalsContact C-N 3.31Å; G330-T332 PolarHBondContact O-N 3.41Å; T332-S334 VanDerWaalsContact C-N 3.3Å; T332-S334 PolarHBondContact O-N 2.82Å; T332-E335 PolarHBondContact O-N 3.11Å; T332-Y336 WeakPolarHBondContact O-CB 3.21Å; T332-Y336 PolarHBondContact O-N 3.35Å; T332-R388 PolarHBondContact OG1-NH2 3.36Å
333	L	97.3	Very high	96	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-61.2	-40.8	169.6	-65.6	177.4	0	0	0	111.3	L90 I94 I273 V312 T329 G330 Y336 F337	L90-L333 HydrophobicContact CD2-CD2 3.72Å; I94-L333 HydrophobicContact CD1-CD2 4.01Å; I94-L333 HydrophobicContact CG2-CD2 4.3Å; I273-L333 HydrophobicContact CD1-CB 4.34Å; V312-L333 HydrophobicContact CG2-CD1 4.15Å; T329-L333 HydrophobicContact CG2-CD1 4.33Å; T329-L333 WeakPolarHBondContact O-CG 3.43Å; T329-L333 PolarHBondContact O-N 2.89Å; G330-L333 PolarHBondContact O-N 2.87Å; L333-Y336 WeakPolarHBondContact O-CB 3.34Å; L333-Y336 PolarHBondContact O-N 3.38Å; L333-F337 VanDerWaalsContact O-CD2 3.27Å; L333-F337 WeakPolarHBondContact O-CD2 3.49Å; L333-F337 PolarHBondContact O-N 2.92Å; L333-F337 VanDerWaalsContact O-N 3.14Å
334	S	97.8	Very high	96.3	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-64.9	-44.7	178.8	-56.4	0	0	0	0	112.1	I273 G330 I331 T332 Y336 F337 R338	I273-S334 WeakPolarHBondContact CB-OG 3.42Å; I273-S334 WeakPolarHBondContact CG1-OG 3.29Å; G330-S334 WeakPolarHBondContact O-CB 3.43Å; G330-S334 PolarHBondContact O-N 3.31Å; G330-S334 PolarHBondContact O-OG 2.75Å; I331-S334 WeakPolarHBondContact O-CB 3.44Å; I331-S334 PolarHBondContact O-N 2.92Å; T332-S334 VanDerWaalsContact C-N 3.3Å; T332-S334 PolarHBondContact O-N 2.82Å; S334-Y336 VanDerWaalsContact C-N 3.3Å; S334-Y336 PolarHBondContact O-N 3.28Å; S334-F337 PolarHBondContact O-N 2.88Å; S334-R338 WeakPolarHBondContact O-CB 3.44Å; S334-R338 PolarHBondContact O-N 2.97Å
335	E	97.4	Very high	96.6	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-64.5	-33.7	174.4	-70.5	-178.4	162.9	0	0	112.5	R215 I331 T332 R338 D339 R388	R215-E335 HydrophobicContact CB-CB 4.16Å; R215-E335 WeakPolarHBondContact CB-OE2 3.46Å; R215-E335 HydrophobicContact CG-CB 4.14Å; R215-E335 WeakPolarHBondContact CG-OE2 3.43Å; R215-E335 PolarHBondContact N-OE2 2.86Å; R215-E335 VanDerWaalsContact N-OE2 3.11Å; I331-E335 WeakPolarHBondContact O-CG 3.35Å; I331-E335 PolarHBondContact O-N 3.43Å; T332-E335 PolarHBondContact O-N 3.11Å; E335-R338 WeakPolarHBondContact O-CB 3.26Å; E335-R338 PolarHBondContact O-N 3.49Å; E335-D339 PolarHBondContact O-N 3.4Å; E335-R388 VanDerWaalsContact CD-NH2 3.27Å; E335-R388 WeakPolarHBondContact OE1-CB 3.24Å; E335-R388 WeakPolarHBondContact OE1-CG 3.31Å; E335-R388 IonicContact OE1-CZ 2.73Å; E335-R388 IonicContact OE1-NE 2.75Å; E335-R388 PolarHBondContact OE1-NE 3.43Å; E335-R388 IonicContact OE1-NH2 3.9Å; E335-R388 PolarHBondContact OE1-NH2 3.43Å; E335-R388 IonicContact OE2-CZ 2.64Å; E335-R388 IonicContact OE2-NE 3.58Å; E335-R388 IonicContact OE2-NH2 3.46Å; E335-R388 PolarHBondContact OE2-NH2 3Å
336	Y	97.4	Very high	96.8	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-63.9	-48	176.8	175.8	-117.8	0	0	0	112.3	L90 I94 H164 M167 T332 L333 S334 R338 D339 M340	L90-Y336 HydrophobicContact CB-CD1 4.03Å; L90-Y336 HydrophobicContact CB-CD2 3.81Å; L90-Y336 HydrophobicContact CB-CE1 4Å; L90-Y336 HydrophobicContact CB-CE2 3.8Å; L90-Y336 HydrophobicContact CB-CG 3.92Å; L90-Y336 HydrophobicContact CD1-CD2 3.75Å; L90-Y336 HydrophobicContact CD1-CE2 4.45Å; L90-Y336 HydrophobicContact CD1-CG 3.92Å; L90-Y336 HydrophobicContact CD2-CD1 4.1Å; L90-Y336 HydrophobicContact CD2-CG 3.91Å; L90-Y336 HydrophobicContact CG-CD2 4.24Å; L90-Y336 HydrophobicContact CG-CG 4.14Å; I94-Y336 HydrophobicContact CD1-CE1 4.42Å; H164-Y336 AromaticContact CE1-CE1 3.69Å; H164-Y336 AromaticContact NE2-CE1 3.48Å; H164-Y336 WeakPolarHBondContact NE2-CE1 3.37Å; H164-Y336 AromaticContact NE2-CZ 3.51Å; H164-Y336 PolarHBondContact NE2-OH 3.03Å; M167-Y336 HydrophobicContact CE-CD2 4.02Å; M167-Y336 HydrophobicContact CE-CE2 3.71Å; T332-Y336 WeakPolarHBondContact O-CB 3.21Å; T332-Y336 PolarHBondContact O-N 3.35Å; L333-Y336 WeakPolarHBondContact O-CB 3.34Å; L333-Y336 PolarHBondContact O-N 3.38Å; S334-Y336 VanDerWaalsContact C-N 3.3Å; S334-Y336 PolarHBondContact O-N 3.28Å; Y336-R338 VanDerWaalsContact C-N 3.33Å; Y336-D339 PolarHBondContact O-N 2.91Å; Y336-M340 HydrophobicContact CD1-CE 3.84Å; Y336-M340 HydrophobicContact CD2-CE 4.46Å; Y336-M340 HydrophobicContact CE1-CE 3.17Å; Y336-M340 HydrophobicContact CE2-CE 3.89Å; Y336-M340 HydrophobicContact CG-CE 4.45Å; Y336-M340 WeakPolarHBondContact OH-CE 3.39Å
337	F	97.3	Very high	96.8	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-69.5	-31.6	176.3	-74	-65	0	0	0	112.5	I94 M95 H164 V271 I273 L333 S334 D339 M340 Y342 V344	I94-F337 HydrophobicContact CB-CE2 4.48Å; I94-F337 HydrophobicContact CB-CZ 4.15Å; I94-F337 HydrophobicContact CG2-CE2 3.79Å; I94-F337 HydrophobicContact CG2-CZ 3.95Å; M95-F337 HydrophobicContact CE-CD1 3.48Å; M95-F337 VanDerWaalsContact CE-CD1 3.48Å; M95-F337 HydrophobicContact CE-CD2 4.03Å; M95-F337 HydrophobicContact CE-CE1 3.1Å; M95-F337 HydrophobicContact CE-CE2 3.68Å; M95-F337 HydrophobicContact CE-CG 3.94Å; M95-F337 HydrophobicContact CE-CZ 3.2Å; M95-F337 HydrophobicContact CG-CZ 4.2Å; M95-F337 HydrophobicContact SD-CE1 4.31Å; M95-F337 HydrophobicContact SD-CE2 4.21Å; M95-F337 HydrophobicContact SD-CZ 3.86Å; H164-F337 AromaticContact CE1-CE1 3.97Å; V271-F337 HydrophobicContact CG1-CB 4.33Å; V271-F337 HydrophobicContact CG1-CD2 4.04Å; V271-F337 HydrophobicContact CG1-CG 4.1Å; V271-F337 HydrophobicContact CG2-CB 4.49Å; V271-F337 HydrophobicContact CG2-CG 4.5Å; I273-F337 HydrophobicContact CD1-CD2 4.15Å; I273-F337 HydrophobicContact CD1-CE2 4.28Å; L333-F337 VanDerWaalsContact O-CD2 3.27Å; L333-F337 WeakPolarHBondContact O-CD2 3.49Å; L333-F337 PolarHBondContact O-N 2.92Å; L333-F337 VanDerWaalsContact O-N 3.14Å; S334-F337 PolarHBondContact O-N 2.88Å; F337-D339 VanDerWaalsContact C-N 3.33Å; F337-D339 PolarHBondContact O-N 3.01Å; F337-M340 HydrophobicContact CD1-CE 3.95Å; F337-M340 HydrophobicContact CD1-SD 3.84Å; F337-M340 HydrophobicContact CE1-CE 4Å; F337-M340 HydrophobicContact CE1-SD 4.23Å; F337-M340 WeakPolarHBondContact O-CB 3.28Å; F337-M340 PolarHBondContact O-N 2.95Å; F337-Y342 WeakPolarHBondContact O-CB 3.16Å; F337-Y342 PolarHBondContact O-N 2.91Å; F337-V344 HydrophobicContact CB-CG2 3.6Å
338	R	97.1	Very high	96.7	Very high	8 Å²	8	5.8 Å²	5.8	3%	0.03	3%	0.03	C	C	.	.	H	α-helix	trans	-58.4	-44.7	170.7	178.9	-156.4	67.1	-164.9	-3.2	111.8	S334 E335 Y336 M340 G341 V344 V392 C394 V404	S334-R338 WeakPolarHBondContact O-CB 3.44Å; S334-R338 PolarHBondContact O-N 2.97Å; E335-R338 WeakPolarHBondContact O-CB 3.26Å; E335-R338 PolarHBondContact O-N 3.49Å; Y336-R338 VanDerWaalsContact C-N 3.33Å; R338-M340 PolarHBondContact O-N 3.28Å; R338-G341 WeakPolarHBondContact O-CA 3.26Å; R338-G341 PolarHBondContact O-N 3.35Å; R338-V344 HydrophobicContact CB-CG2 4.4Å; R338-V392 HydrophobicContact CG-CG2 4.08Å; R338-C394 PolarHBondContact O-SG 2.87Å; R338-V404 HydrophobicContact CB-CG2 3.54Å; R338-V404 HydrophobicContact CG-CG2 3.85Å
339	D	96.4	Very high	96.5	Very high	9 Å²	9	5.5 Å²	5.5	5%	0.048	3%	0.029	C	C	.	.	H	α-helix	trans	-64.4	-21.2	-178.3	-67.6	-6	0	0	0	112.8	M167 R215 E335 Y336 F337 G341 R400	M167-D339 HydrophobicContact CE-CB 3.93Å; M167-D339 HydrophobicContact SD-CB 4.06Å; M167-D339 VanDerWaalsContact SD-O 3.38Å; R215-D339 IonicContact CZ-OD2 3.36Å; R215-D339 VanDerWaalsContact CZ-OD2 3.24Å; R215-D339 IonicContact NE-OD2 3.17Å; R215-D339 PolarHBondContact NE-OD2 3.1Å; R215-D339 IonicContact NH2-OD2 2.73Å; R215-D339 PolarHBondContact NH2-OD2 3.44Å; E335-D339 PolarHBondContact O-N 3.4Å; Y336-D339 PolarHBondContact O-N 2.91Å; F337-D339 VanDerWaalsContact C-N 3.33Å; F337-D339 PolarHBondContact O-N 3.01Å; D339-G341 PolarHBondContact O-N 3.38Å; D339-R400 PolarHBondContact O-NH1 3.19Å
340	M	95.6	Very high	96.3	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-10.3	170.8	-63.4	-173.9	-166.9	0	0	113.3	H164 K165 M167 Y336 F337 R338 Y342	H164-M340 WeakPolarHBondContact NE2-CE 3.44Å; K165-M340 HydrophobicContact CB-CB 4.31Å; K165-M340 HydrophobicContact CB-CG 4.15Å; K165-M340 HydrophobicContact CB-SD 4.36Å; K165-M340 HydrophobicContact CD-CB 4.05Å; K165-M340 WeakPolarHBondContact CD-O 3.46Å; K165-M340 PolarHBondContact NZ-O 2.74Å; M167-M340 HydrophobicContact CE-CE 4.26Å; M167-M340 HydrophobicContact CE-CG 3.53Å; M167-M340 HydrophobicContact SD-CG 4.13Å; Y336-M340 HydrophobicContact CD1-CE 3.84Å; Y336-M340 HydrophobicContact CD2-CE 4.46Å; Y336-M340 HydrophobicContact CE1-CE 3.17Å; Y336-M340 HydrophobicContact CE2-CE 3.89Å; Y336-M340 HydrophobicContact CG-CE 4.45Å; Y336-M340 WeakPolarHBondContact OH-CE 3.39Å; F337-M340 HydrophobicContact CD1-CE 3.95Å; F337-M340 HydrophobicContact CD1-SD 3.84Å; F337-M340 HydrophobicContact CE1-CE 4Å; F337-M340 HydrophobicContact CE1-SD 4.23Å; F337-M340 WeakPolarHBondContact O-CB 3.28Å; F337-M340 PolarHBondContact O-N 2.95Å; R338-M340 PolarHBondContact O-N 3.28Å; M340-Y342 HydrophobicContact CB-CD2 3.67Å; M340-Y342 HydrophobicContact CB-CE2 3.99Å; M340-Y342 HydrophobicContact SD-CD2 4.21Å; M340-Y342 HydrophobicContact SD-CE2 4.08Å
341	G	95.4	Very high	96.1	Very high	17 Å²	17	5.5 Å²	5.5	18%	0.175	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	30.7	-172.8	0	0	0	0	0	113.2	R338 D339 E401	R338-G341 WeakPolarHBondContact O-CA 3.26Å; R338-G341 PolarHBondContact O-N 3.35Å; D339-G341 PolarHBondContact O-N 3.38Å; G341-E401 CarbonylContact C-O 3.57Å; G341-E401 VanDerWaalsContact CA-O 3.25Å; G341-E401 WeakPolarHBondContact CA-O 3.05Å
342	Y	96.9	Very high	95.9	Very high	29 Å²	29	5.6 Å²	5.6	11%	0.114	3%	0.03	C	C	.	.			trans	-98	152.9	171.8	-71.3	-60.8	0	0	0	111.1	I162 K163 D270 V271 F337 M340 S403	I162-Y342 HydrophobicContact CG2-CE2 4.4Å; K163-Y342 PolarHBondContact N-OH 3.23Å; K163-Y342 PolarHBondContact O-OH 3.11Å; D270-Y342 HydrophobicContact CB-CD1 3.68Å; D270-Y342 HydrophobicContact CB-CG 4.24Å; V271-Y342 HydrophobicContact CG2-CG 4.37Å; F337-Y342 WeakPolarHBondContact O-CB 3.16Å; F337-Y342 PolarHBondContact O-N 2.91Å; M340-Y342 HydrophobicContact CB-CD2 3.67Å; M340-Y342 HydrophobicContact CB-CE2 3.99Å; M340-Y342 HydrophobicContact SD-CD2 4.21Å; M340-Y342 HydrophobicContact SD-CE2 4.08Å; Y342-S403 PolarHBondContact O-N 3.5Å
343	H	97.4	Very high	95.7	Very high	49 Å²	49	8.6 Å²	8.6	23%	0.227	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	103.8	170.1	-62.8	-73.8	0	0	0	109.6	Q242 S269 D270 V271 S403	Q242-H343 PolarHBondContact OE1-ND1 3.11Å; S269-H343 CarbonylContact C-O 3.53Å; S269-H343 WeakPolarHBondContact CB-O 3.39Å; D270-H343 PolarHBondContact N-O 3.46Å; D270-H343 IonicContact OD2-CD2 3.42Å; D270-H343 PolarHBondContact OD2-N 3.11Å; V271-H343 PolarHBondContact N-O 2.9Å; H343-S403 PolarHBondContact ND1-OG 2.95Å
344	V	97.6	Very high	95.5	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	137.9	-175.5	-169.1	0	0	0	0	110.4	V271 I273 F337 R338 S403 V404 S405	V271-V344 HydrophobicContact CB-CG1 4.33Å; V271-V344 HydrophobicContact CB-CG2 4.27Å; V271-V344 HydrophobicContact CG1-CG1 4.28Å; V271-V344 WeakPolarHBondContact O-CA 3.4Å; I273-V344 HydrophobicContact CG1-CG1 4Å; F337-V344 HydrophobicContact CB-CG2 3.6Å; R338-V344 HydrophobicContact CB-CG2 4.4Å; V344-S403 PolarHBondContact N-O 3.04Å; V344-V404 HydrophobicContact CB-CG2 4.36Å; V344-V404 WeakPolarHBondContact O-CA 3.3Å; V344-S405 PolarHBondContact O-N 3.06Å
345	S	97.1	Very high	95.4	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	120.6	167.9	-177.9	0	0	0	0	110.2	S269 V271 I272 I273	S269-S345 WeakPolarHBondContact OG-CB 3.14Å; V271-S345 PolarHBondContact O-N 3.2Å; I272-S345 WeakPolarHBondContact CA-O 3.36Å; I273-S345 PolarHBondContact N-O 2.89Å
346	M	96.9	Very high	95.1	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	126.2	174.9	-178	-179.5	173.3	0	0	110.2	I273 V275 I331 A348 F385 S405 I406 V407	I273-M346 CarbonylContact O-C 3.56Å; I273-M346 VanDerWaalsContact O-CA 3.31Å; I273-M346 WeakPolarHBondContact O-CA 3.16Å; V275-M346 HydrophobicContact CB-CE 4.45Å; V275-M346 HydrophobicContact CG2-CE 3.74Å; I331-M346 VanDerWaalsContact CA-SD 3.58Å; I331-M346 HydrophobicContact CB-CE 4.17Å; I331-M346 HydrophobicContact CB-SD 3.77Å; I331-M346 HydrophobicContact CD1-SD 3.64Å; I331-M346 HydrophobicContact CG1-SD 4.3Å; M346-A348 HydrophobicContact CE-CB 4.44Å; M346-F385 HydrophobicContact CE-CE2 3.65Å; M346-F385 HydrophobicContact CE-CZ 3.81Å; M346-F385 HydrophobicContact SD-CE2 4.03Å; M346-F385 HydrophobicContact SD-CZ 4.18Å; M346-S405 PolarHBondContact N-O 2.94Å; M346-I406 HydrophobicContact CB-CG1 4.4Å; M346-V407 PolarHBondContact O-N 2.88Å
347	M	95.1	Very high	94.9	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	123.7	171.4	-67.3	152.3	-162.6	0	0	109.1	L263 S264 I272 I273 Y274 V275 V407	L263-M347 HydrophobicContact CB-CE 3.74Å; L263-M347 HydrophobicContact CD2-CE 3.58Å; L263-M347 HydrophobicContact CD2-CG 4.47Å; L263-M347 HydrophobicContact CG-CE 3.55Å; S264-M347 VanDerWaalsContact CA-CE 3.49Å; I272-M347 HydrophobicContact CD1-CE 4.41Å; I272-M347 HydrophobicContact CG2-CE 4.06Å; I272-M347 HydrophobicContact CG2-SD 4.14Å; I273-M347 PolarHBondContact O-N 3.13Å; Y274-M347 HydrophobicContact CD2-CB 3.76Å; Y274-M347 HydrophobicContact CD2-SD 4.01Å; Y274-M347 HydrophobicContact CE2-CB 4.3Å; V275-M347 PolarHBondContact N-O 3.29Å; M347-V407 WeakPolarHBondContact CA-O 3.48Å
348	A	94.6	Very high	94.6	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.008	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	101.7	176.4	0	0	0	0	0	109.4	I327 M346 T351 F385 V407 A409	I327-A348 HydrophobicContact CD1-CB 4.02Å; M346-A348 HydrophobicContact CE-CB 4.44Å; A348-T351 HydrophobicContact CB-CG2 3.93Å; A348-F385 HydrophobicContact CB-CZ 4.27Å; A348-V407 PolarHBondContact N-O 3.02Å; A348-A409 PolarHBondContact O-N 3.48Å
349	D	92.1	Very high	94.4	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.011	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	99.6	178.6	-160.5	8.5	0	0	0	108.9	T257 Y274 V275 G276 C277 E279 A409	T257-D349 PolarHBondContact OG1-OD2 3.27Å; Y274-D349 HydrophobicContact CE2-CB 4.48Å; Y274-D349 PolarHBondContact OH-OD2 2.98Å; V275-D349 PolarHBondContact O-N 3.46Å; G276-D349 CarbonylContact C-O 3.44Å; G276-D349 WeakPolarHBondContact CA-O 3.38Å; C277-D349 PolarHBondContact N-O 3Å; E279-D349 WeakPolarHBondContact CG-O 3.16Å; E279-D349 VanDerWaalsContact OE1-C 3.24Å; D349-A409 HydrophobicContact CB-CB 4.31Å; D349-A409 WeakPolarHBondContact OD1-CB 3.34Å
350	S	90.6	Very high	94.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	cis	-129.9	143.7	6.3	51.6	0	0	0	0	113.4	C277 E279 S352 R353 A409	C277-S350 PolarHBondContact O-N 2.85Å; E279-S350 VanDerWaalsContact OE1-CB 3.24Å; E279-S350 WeakPolarHBondContact OE1-CB 3.16Å; E279-S350 PolarHBondContact OE1-N 3.44Å; E279-S350 PolarHBondContact OE1-OG 3.47Å; S350-S352 VanDerWaalsContact C-N 3.29Å; S350-S352 PolarHBondContact O-N 2.99Å; S350-R353 PolarHBondContact O-N 3.41Å; S350-R353 WeakPolarHBondContact OG-CG 3.17Å; S350-A409 WeakPolarHBondContact CA-O 3.04Å
351	T	93.6	Very high	93.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-72.4	-22.9	180	57.1	0	0	0	0	112.4	A348 W354 A355 A409	A348-T351 HydrophobicContact CB-CG2 3.93Å; T351-W354 WeakPolarHBondContact O-CB 3.48Å; T351-W354 PolarHBondContact O-N 3Å; T351-A355 PolarHBondContact O-N 2.87Å; T351-A409 PolarHBondContact N-O 3.14Å; T351-A409 PolarHBondContact OG1-O 3.17Å; T351-A409 VanDerWaalsContact OG1-O 3.11Å
352	S	92.6	Very high	93.5	Very high	3 Å²	3	18.5 Å²	18.5	2%	0.021	8%	0.08	C	C	.	.	H	α-helix	trans	-65.9	-39	172.9	-60.5	0	0	0	0	112.7	S350 W354 A355 E356 V410 S411	S350-S352 VanDerWaalsContact C-N 3.29Å; S350-S352 PolarHBondContact O-N 2.99Å; S352-W354 VanDerWaalsContact C-N 3.25Å; S352-W354 PolarHBondContact O-N 2.85Å; S352-A355 PolarHBondContact O-N 2.71Å; S352-E356 WeakPolarHBondContact O-CG 3.26Å; S352-E356 PolarHBondContact O-N 2.81Å; S352-V410 VanDerWaalsContact OG-CG1 3.31Å; S352-V410 WeakPolarHBondContact OG-CG1 3.39Å; S352-S411 PolarHBondContact OG-N 3.43Å
353	R	92.7	Very high	93.1	Very high	62 Å²	62	19.6 Å²	19.6	23%	0.234	10%	0.1	C	C	.	.	H	α-helix	trans	-68.5	-29.2	177	-63.8	-69.6	138.4	-163.9	-12.9	111.7	C277 S350 E356 A357	C277-R353 VanDerWaalsContact O-CB 3.28Å; C277-R353 WeakPolarHBondContact O-CB 3.34Å; S350-R353 PolarHBondContact O-N 3.41Å; S350-R353 WeakPolarHBondContact OG-CG 3.17Å; R353-E356 WeakPolarHBondContact CD-OE2 3.43Å; R353-E356 VanDerWaalsContact CZ-CD 3.49Å; R353-E356 IonicContact CZ-OE1 3.96Å; R353-E356 IonicContact CZ-OE2 3.74Å; R353-E356 IonicContact NE-OE1 3.74Å; R353-E356 IonicContact NE-OE2 2.96Å; R353-E356 IonicContact NH1-OE1 3.02Å; R353-E356 PolarHBondContact NH1-OE1 2.79Å; R353-E356 IonicContact NH1-OE2 2.97Å; R353-E356 PolarHBondContact NH1-OE2 3.11Å; R353-E356 IonicContact NH2-OE1 3.76Å; R353-E356 PolarHBondContact NH2-OE1 2.89Å; R353-E356 IonicContact NH2-OE2 3.09Å; R353-A357 WeakPolarHBondContact O-CB 3.48Å; R353-A357 PolarHBondContact O-N 2.69Å
354	W	94.9	Very high	92.6	Very high	1 Å²	1	23.5 Å²	23.5	0%	0.004	11%	0.113	C	C	.	.	H	α-helix	trans	-67.4	-45.2	169.4	174.5	40.9	0	0	0	111.7	I327 Y328 T351 S352 E356 A357 L358 R381 L382 F385	I327-W354 HydrophobicContact CG1-CB 4.26Å; I327-W354 HydrophobicContact CG1-CD2 4.25Å; I327-W354 HydrophobicContact CG1-CE3 4.49Å; I327-W354 HydrophobicContact CG1-CG 4.14Å; I327-W354 HydrophobicContact CG2-CE3 4.36Å; I327-W354 HydrophobicContact CG2-CZ3 4.36Å; Y328-W354 HydrophobicContact CE2-CZ2 4.41Å; T351-W354 WeakPolarHBondContact O-CB 3.48Å; T351-W354 PolarHBondContact O-N 3Å; S352-W354 VanDerWaalsContact C-N 3.25Å; S352-W354 PolarHBondContact O-N 2.85Å; W354-E356 VanDerWaalsContact C-N 3.34Å; W354-E356 PolarHBondContact O-N 3.45Å; W354-A357 WeakPolarHBondContact O-CA 3.32Å; W354-A357 VanDerWaalsContact O-CB 3.3Å; W354-A357 WeakPolarHBondContact O-CB 3.39Å; W354-A357 PolarHBondContact O-N 3.48Å; W354-A357 VanDerWaalsContact O-N 3.09Å; W354-L358 HydrophobicContact CZ2-CD1 4.2Å; W354-L358 PolarHBondContact O-N 2.8Å; W354-R381 HydrophobicContact CH2-CB 4.11Å; W354-R381 HydrophobicContact CZ2-CB 4.16Å; W354-L382 HydrophobicContact CE3-CD2 4.06Å; W354-L382 HydrophobicContact CZ3-CD2 3.68Å; W354-F385 HydrophobicContact CH2-CB 4.03Å; W354-F385 HydrophobicContact CZ3-CB 4.15Å; W354-F385 HydrophobicContact CZ3-CD1 4.33Å; W354-F385 HydrophobicContact CZ3-CG 4.25Å
355	A	94.3	Very high	92	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62	-39.8	175.5	0	0	0	0	0	112.6	T351 S352 A357 L358 R359 Y374 L378 V421	T351-A355 PolarHBondContact O-N 2.87Å; S352-A355 PolarHBondContact O-N 2.71Å; A355-A357 VanDerWaalsContact C-N 3.3Å; A355-A357 PolarHBondContact O-N 3.46Å; A355-L358 PolarHBondContact O-N 3.47Å; A355-R359 PolarHBondContact O-N 2.87Å; A355-Y374 HydrophobicContact CB-CD1 4.44Å; A355-Y374 HydrophobicContact CB-CE1 3.95Å; A355-L378 HydrophobicContact CB-CD1 3.74Å; A355-V421 HydrophobicContact CB-CB 4.43Å; A355-V421 HydrophobicContact CB-CG1 3.99Å; A355-V421 HydrophobicContact CB-CG2 3.52Å
356	E	92.4	Very high	91.5	Very high	43 Å²	43	29 Å²	29	20%	0.201	15%	0.154	C	C	.	.	H	α-helix	trans	-61.4	-38.5	172	-73.4	176.7	-178.8	0	0	112	S352 R353 W354 R359 E360	S352-E356 WeakPolarHBondContact O-CG 3.26Å; S352-E356 PolarHBondContact O-N 2.81Å; R353-E356 WeakPolarHBondContact CD-OE2 3.43Å; R353-E356 VanDerWaalsContact CZ-CD 3.49Å; R353-E356 IonicContact CZ-OE1 3.96Å; R353-E356 IonicContact CZ-OE2 3.74Å; R353-E356 IonicContact NE-OE1 3.74Å; R353-E356 IonicContact NE-OE2 2.96Å; R353-E356 IonicContact NH1-OE1 3.02Å; R353-E356 PolarHBondContact NH1-OE1 2.79Å; R353-E356 IonicContact NH1-OE2 2.97Å; R353-E356 PolarHBondContact NH1-OE2 3.11Å; R353-E356 IonicContact NH2-OE1 3.76Å; R353-E356 PolarHBondContact NH2-OE1 2.89Å; R353-E356 IonicContact NH2-OE2 3.09Å; W354-E356 VanDerWaalsContact C-N 3.34Å; W354-E356 PolarHBondContact O-N 3.45Å; E356-R359 WeakPolarHBondContact O-CB 3.27Å; E356-R359 PolarHBondContact O-N 3.5Å; E356-E360 PolarHBondContact O-N 2.83Å
357	A	91.8	Very high	91.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.7	-44.8	175.1	0	0	0	0	0	111.4	V320 R323 R353 W354 A355 R359 E360 I361	V320-A357 VanDerWaalsContact CG1-CA 3.47Å; V320-A357 HydrophobicContact CG1-CB 3.44Å; V320-A357 VanDerWaalsContact CG1-CB 3.44Å; R323-A357 HydrophobicContact CB-CB 4.1Å; R353-A357 WeakPolarHBondContact O-CB 3.48Å; R353-A357 PolarHBondContact O-N 2.69Å; W354-A357 WeakPolarHBondContact O-CA 3.32Å; W354-A357 VanDerWaalsContact O-CB 3.3Å; W354-A357 WeakPolarHBondContact O-CB 3.39Å; W354-A357 PolarHBondContact O-N 3.48Å; W354-A357 VanDerWaalsContact O-N 3.09Å; A355-A357 VanDerWaalsContact C-N 3.3Å; A355-A357 PolarHBondContact O-N 3.46Å; A357-R359 VanDerWaalsContact C-N 3.29Å; A357-R359 PolarHBondContact O-N 3.09Å; A357-E360 PolarHBondContact O-N 2.89Å; A357-I361 VanDerWaalsContact O-CD1 3.31Å; A357-I361 WeakPolarHBondContact O-CD1 3.48Å; A357-I361 WeakPolarHBondContact O-CG1 3.5Å; A357-I361 PolarHBondContact O-N 3.21Å
358	L	92.1	Very high	91.1	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.016	21%	0.214	C	C	.	.	H	α-helix	trans	-60.2	-39.7	175.1	-67.4	177	0	0	0	112.1	E324 W354 A355 I361 S362 P375 Y377 L378 R381	E324-L358 HydrophobicContact CG-CD2 4.42Å; W354-L358 HydrophobicContact CZ2-CD1 4.2Å; W354-L358 PolarHBondContact O-N 2.8Å; A355-L358 PolarHBondContact O-N 3.47Å; L358-I361 PolarHBondContact O-N 2.95Å; L358-S362 WeakPolarHBondContact O-CB 3.44Å; L358-S362 PolarHBondContact O-N 2.97Å; L358-S362 PolarHBondContact O-OG 2.78Å; L358-P375 HydrophobicContact CB-CG 4.25Å; L358-Y377 HydrophobicContact CD2-CE2 4.44Å; L358-L378 HydrophobicContact CD1-CD1 4.17Å; L358-R381 HydrophobicContact CD1-CB 4.21Å; L358-R381 HydrophobicContact CD1-CG 4.26Å
359	R	92.9	Very high	91.1	Very high	99 Å²	99	45.3 Å²	45.3	37%	0.374	24%	0.241	S	C	.	.	H	α-helix	trans	-62.7	-42.1	174.5	173.9	172.3	78.1	179.1	1.3	112.7	A355 E356 A357 S362 G363 S372 G373 Y374	A355-R359 PolarHBondContact O-N 2.87Å; E356-R359 WeakPolarHBondContact O-CB 3.27Å; E356-R359 PolarHBondContact O-N 3.5Å; A357-R359 VanDerWaalsContact C-N 3.29Å; A357-R359 PolarHBondContact O-N 3.09Å; R359-S362 PolarHBondContact O-OG 2.83Å; R359-G363 PolarHBondContact O-N 3.28Å; R359-S372 PolarHBondContact NH1-O 3.35Å; R359-G373 VanDerWaalsContact CG-O 3.27Å; R359-G373 WeakPolarHBondContact CG-O 3.34Å; R359-Y374 HydrophobicContact CB-CD1 3.85Å; R359-Y374 HydrophobicContact CB-CE1 4.25Å
360	E	89.9	Confident	91	Very high	77 Å²	77	47.6 Å²	47.6	36%	0.36	26%	0.26	S	S	.	.	H	α-helix	trans	-66.4	-43.1	177.9	-173.6	175.7	163.3	0	0	111.2	V320 E356 A357 G363 R364	V320-E360 HydrophobicContact CG1-CB 4.23Å; V320-E360 VanDerWaalsContact CG2-OE2 3.32Å; V320-E360 WeakPolarHBondContact CG2-OE2 3.46Å; E356-E360 PolarHBondContact O-N 2.83Å; A357-E360 PolarHBondContact O-N 2.89Å; E360-G363 PolarHBondContact O-N 3.39Å; E360-R364 VanDerWaalsContact O-CG 3.31Å; E360-R364 WeakPolarHBondContact O-CG 3.31Å; E360-R364 PolarHBondContact O-N 3.3Å
361	I	87.3	Confident	91	Very high	15 Å²	15	53.5 Å²	53.5	8%	0.077	29%	0.291	C	S	.	.	H	α-helix	trans	-61.7	-48.7	177.9	-63.7	156.9	0	0	0	110.5	A357 L358 G363 R364 L365	A357-I361 VanDerWaalsContact O-CD1 3.31Å; A357-I361 WeakPolarHBondContact O-CD1 3.48Å; A357-I361 WeakPolarHBondContact O-CG1 3.5Å; A357-I361 PolarHBondContact O-N 3.21Å; L358-I361 PolarHBondContact O-N 2.95Å; I361-G363 VanDerWaalsContact C-N 3.31Å; I361-G363 PolarHBondContact O-N 3.43Å; I361-R364 PolarHBondContact O-N 3.33Å; I361-L365 HydrophobicContact CG2-CD1 3.99Å; I361-L365 WeakPolarHBondContact O-CG 3.47Å; I361-L365 PolarHBondContact O-N 3.17Å; I361-L365 VanDerWaalsContact O-N 3.1Å
362	S	90.3	Very high	90.6	Very high	4 Å²	4	57.5 Å²	57.5	3%	0.028	32%	0.319	C	S	.	.	H	α-helix	trans	-62.7	-38.5	179.1	67.4	0	0	0	0	112.2	L358 R359 R364 L365 A366 E367	L358-S362 WeakPolarHBondContact O-CB 3.44Å; L358-S362 PolarHBondContact O-N 2.97Å; L358-S362 PolarHBondContact O-OG 2.78Å; R359-S362 PolarHBondContact O-OG 2.83Å; S362-R364 VanDerWaalsContact C-N 3.35Å; S362-R364 PolarHBondContact O-N 2.92Å; S362-L365 PolarHBondContact O-N 2.95Å; S362-A366 PolarHBondContact O-N 3.23Å; S362-E367 WeakPolarHBondContact CB-OE2 3.31Å; S362-E367 PolarHBondContact O-N 2.66Å; S362-E367 VanDerWaalsContact O-N 3.1Å
363	G	89.8	Confident	90.6	Very high	53 Å²	53	58.8 Å²	58.8	55%	0.546	33%	0.333	S	S	.	.	H	α-helix	trans	-63	-38.3	175.4	0	0	0	0	0	113	R359 E360 I361 L365 A366	R359-G363 PolarHBondContact O-N 3.28Å; E360-G363 PolarHBondContact O-N 3.39Å; I361-G363 VanDerWaalsContact C-N 3.31Å; I361-G363 PolarHBondContact O-N 3.43Å; G363-L365 VanDerWaalsContact C-N 3.31Å; G363-A366 PolarHBondContact O-N 3.04Å
364	R	85.9	Confident	90.7	Very high	130 Å²	130	56.4 Å²	56.4	49%	0.491	32%	0.324	S	S	.	.	H	α-helix	trans	-69.2	-29.5	175.1	-66.3	-69.3	-178.6	-176.7	-0.9	112.8	V28 E360 I361 S362 A366	V28-R364 HydrophobicContact CG2-CB 3.89Å; E360-R364 VanDerWaalsContact O-CG 3.31Å; E360-R364 WeakPolarHBondContact O-CG 3.31Å; E360-R364 PolarHBondContact O-N 3.3Å; I361-R364 PolarHBondContact O-N 3.33Å; S362-R364 VanDerWaalsContact C-N 3.35Å; S362-R364 PolarHBondContact O-N 2.92Å; R364-A366 PolarHBondContact O-N 3.41Å
365	L	84.7	Confident	90.6	Very high	25 Å²	25	56.5 Å²	56.5	13%	0.131	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-3	175.4	-65.4	167.9	0	0	0	113.6	I55 T63 I361 S362 G363 E367	I55-L365 HydrophobicContact CD1-CD1 3.8Å; I55-L365 HydrophobicContact CD1-CD2 3.47Å; I55-L365 VanDerWaalsContact CD1-CD2 3.47Å; I55-L365 HydrophobicContact CD1-CG 4.1Å; I55-L365 HydrophobicContact CG1-CD2 4.49Å; T63-L365 HydrophobicContact CG2-CD2 3.97Å; I361-L365 HydrophobicContact CG2-CD1 3.99Å; I361-L365 WeakPolarHBondContact O-CG 3.47Å; I361-L365 PolarHBondContact O-N 3.17Å; I361-L365 VanDerWaalsContact O-N 3.1Å; S362-L365 PolarHBondContact O-N 2.95Å; G363-L365 VanDerWaalsContact C-N 3.31Å; L365-E367 HydrophobicContact CB-CG 3.99Å; L365-E367 PolarHBondContact O-N 2.94Å
366	A	87.6	Confident	90.6	Very high	90 Å²	90	60.7 Å²	60.7	74%	0.744	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	33.9	-174.1	0	0	0	0	0	112.9	S362 G363 R364	S362-A366 PolarHBondContact O-N 3.23Å; G363-A366 PolarHBondContact O-N 3.04Å; R364-A366 PolarHBondContact O-N 3.41Å
367	E	89.7	Confident	90.6	Very high	82 Å²	82	61.9 Å²	61.9	38%	0.383	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-72.3	148.3	171.1	-67.5	-178.9	167.5	0	0	110.4	S362 L365 P369 Y377	S362-E367 WeakPolarHBondContact CB-OE2 3.31Å; S362-E367 PolarHBondContact O-N 2.66Å; S362-E367 VanDerWaalsContact O-N 3.1Å; L365-E367 HydrophobicContact CB-CG 3.99Å; L365-E367 PolarHBondContact O-N 2.94Å; E367-P369 WeakPolarHBondContact O-CD 3.28Å; E367-Y377 VanDerWaalsContact OE2-CE1 3.29Å; E367-Y377 WeakPolarHBondContact OE2-CE1 3.44Å
368	M	92.9	Very high	90.7	Very high	174 Å²	174	62.3 Å²	62.3	86%	0.857	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-67.2	122.2	177	-68.6	-172.8	-67.1	0	0	109.8
369	P	94.4	Very high	90.8	Very high	89 Å²	89	63.8 Å²	63.8	58%	0.578	38%	0.381	S	S	*	.	B	Isolated β-bridge	trans	-71.1	149.9	175.6	29.3	-33.2	0	0	0	110.8	E367	E367-P369 WeakPolarHBondContact O-CD 3.28Å
370	A	91.6	Very high	90.9	Very high	50 Å²	50	62.2 Å²	62.2	41%	0.413	39%	0.389	S	S	.	.			trans	-93.7	-138.7	164.5	0	0	0	0	0	109	Y374	A370-Y374 PolarHBondContact N-O 3.46Å
371	D	89.1	Confident	91.1	Very high	124 Å²	124	61.3 Å²	61.3	66%	0.663	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-64.4	137.6	-177.5	-59.6	-37.4	0	0	0	112.5	G373 Y374 P420	D371-G373 PolarHBondContact O-N 3.3Å; D371-Y374 WeakPolarHBondContact O-CD2 3.43Å; D371-Y374 PolarHBondContact O-N 3.15Å; D371-P420 HydrophobicContact CB-CG 4.02Å
372	S	86.8	Confident	91.5	Very high	83 Å²	83	60.6 Å²	60.6	58%	0.58	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	51	25.3	177	-52.7	0	0	0	0	115.1	R359	R359-S372 PolarHBondContact NH1-O 3.35Å
373	G	91.4	Very high	91.7	Very high	30 Å²	30	61.9 Å²	61.9	31%	0.309	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	87.2	-4.7	179.2	0	0	0	0	0	115.1	R359 D371	R359-G373 VanDerWaalsContact CG-O 3.27Å; R359-G373 WeakPolarHBondContact CG-O 3.34Å; D371-G373 PolarHBondContact O-N 3.3Å
374	Y	94.4	Very high	92	Very high	13 Å²	13	61.9 Å²	61.9	5%	0.051	38%	0.381	C	S	.	.			trans	-72.2	153.6	-179.7	-67.2	-74.4	0	0	0	112.2	A355 R359 A370 D371 L378 P420 V421	A355-Y374 HydrophobicContact CB-CD1 4.44Å; A355-Y374 HydrophobicContact CB-CE1 3.95Å; R359-Y374 HydrophobicContact CB-CD1 3.85Å; R359-Y374 HydrophobicContact CB-CE1 4.25Å; A370-Y374 PolarHBondContact N-O 3.46Å; D371-Y374 WeakPolarHBondContact O-CD2 3.43Å; D371-Y374 PolarHBondContact O-N 3.15Å; Y374-L378 HydrophobicContact CD1-CD2 3.94Å; Y374-L378 HydrophobicContact CD2-CD2 4.32Å; Y374-L378 HydrophobicContact CG-CD2 3.79Å; Y374-P420 HydrophobicContact CD2-CB 3.86Å; Y374-P420 HydrophobicContact CD2-CG 3.97Å; Y374-P420 HydrophobicContact CE2-CB 4.12Å; Y374-P420 HydrophobicContact CE2-CG 4.12Å; Y374-V421 HydrophobicContact CE1-CG2 3.9Å; Y374-V421 HydrophobicContact CE2-CG2 4.06Å; Y374-V421 WeakPolarHBondContact OH-CG2 3.44Å
375	P	93.8	Very high	92.5	Very high	3 Å²	3	55.8 Å²	55.8	2%	0.019	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-70.1	151.7	175.4	27.6	-33.5	0	0	0	111.8	L358 Y377 L378	L358-P375 HydrophobicContact CB-CG 4.25Å; P375-Y377 HydrophobicContact CB-CD1 3.93Å; P375-Y377 HydrophobicContact CB-CD2 4.14Å; P375-Y377 HydrophobicContact CB-CE1 3.56Å; P375-Y377 HydrophobicContact CB-CE2 3.78Å; P375-Y377 HydrophobicContact CB-CG 4.21Å; P375-Y377 VanDerWaalsContact CB-CZ 3.47Å; P375-Y377 HydrophobicContact CG-CD2 4.03Å; P375-Y377 HydrophobicContact CG-CE1 4.26Å; P375-Y377 HydrophobicContact CG-CE2 3.53Å; P375-Y377 PolarHBondContact O-N 2.86Å; P375-Y377 VanDerWaalsContact O-N 3.1Å; P375-L378 WeakPolarHBondContact O-CB 3.47Å; P375-L378 PolarHBondContact O-N 3.35Å; P375-L378 VanDerWaalsContact O-N 3.09Å
376	A	93.2	Very high	93	Very high	88 Å²	88	54.6 Å²	54.6	73%	0.727	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-25.7	178.5	0	0	0	0	0	113.6	L378	A376-L378 VanDerWaalsContact C-N 3.34Å; A376-L378 PolarHBondContact O-N 3.37Å
377	Y	93.1	Very high	93.4	Very high	68 Å²	68	55.6 Å²	55.6	27%	0.267	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	4.9	179.7	58.1	-107.5	0	0	0	114.7	L358 E367 P375 G379 A380 R381	L358-Y377 HydrophobicContact CD2-CE2 4.44Å; E367-Y377 VanDerWaalsContact OE2-CE1 3.29Å; E367-Y377 WeakPolarHBondContact OE2-CE1 3.44Å; P375-Y377 HydrophobicContact CB-CD1 3.93Å; P375-Y377 HydrophobicContact CB-CD2 4.14Å; P375-Y377 HydrophobicContact CB-CE1 3.56Å; P375-Y377 HydrophobicContact CB-CE2 3.78Å; P375-Y377 HydrophobicContact CB-CG 4.21Å; P375-Y377 VanDerWaalsContact CB-CZ 3.47Å; P375-Y377 HydrophobicContact CG-CD2 4.03Å; P375-Y377 HydrophobicContact CG-CE1 4.26Å; P375-Y377 HydrophobicContact CG-CE2 3.53Å; P375-Y377 PolarHBondContact O-N 2.86Å; P375-Y377 VanDerWaalsContact O-N 3.1Å; Y377-G379 VanDerWaalsContact C-N 3.35Å; Y377-G379 PolarHBondContact O-N 2.81Å; Y377-A380 PolarHBondContact O-N 3.04Å; Y377-R381 HydrophobicContact CD2-CG 3.76Å; Y377-R381 HydrophobicContact CE2-CG 4.38Å; Y377-R381 WeakPolarHBondContact O-CG 3.48Å; Y377-R381 PolarHBondContact O-N 3.5Å
378	L	94.1	Very high	93.7	Very high	9 Å²	9	52.3 Å²	52.3	5%	0.047	33%	0.325	C	S	.	.	H	α-helix	trans	-54.8	-48.5	-179.1	176.4	64.5	0	0	0	112.1	A355 L358 Y374 P375 A376 A380 R381 L382 V421	A355-L378 HydrophobicContact CB-CD1 3.74Å; L358-L378 HydrophobicContact CD1-CD1 4.17Å; Y374-L378 HydrophobicContact CD1-CD2 3.94Å; Y374-L378 HydrophobicContact CD2-CD2 4.32Å; Y374-L378 HydrophobicContact CG-CD2 3.79Å; P375-L378 WeakPolarHBondContact O-CB 3.47Å; P375-L378 PolarHBondContact O-N 3.35Å; P375-L378 VanDerWaalsContact O-N 3.09Å; A376-L378 VanDerWaalsContact C-N 3.34Å; A376-L378 PolarHBondContact O-N 3.37Å; L378-A380 VanDerWaalsContact C-N 3.34Å; L378-A380 PolarHBondContact O-N 3.24Å; L378-R381 PolarHBondContact O-N 3.42Å; L378-L382 HydrophobicContact CD1-CD1 4.23Å; L378-L382 HydrophobicContact CD1-CG 4.34Å; L378-L382 HydrophobicContact CG-CD1 4.19Å; L378-L382 WeakPolarHBondContact O-CG 3.43Å; L378-L382 PolarHBondContact O-N 3.2Å; L378-V421 HydrophobicContact CD2-CG2 4.3Å
379	G	94.4	Very high	93.9	Very high	34 Å²	34	44.4 Å²	44.4	35%	0.351	29%	0.287	S	S	.	.	H	α-helix	trans	-61.3	-41.1	179.5	0	0	0	0	0	112.7	Y377 R381 L382 A383	Y377-G379 VanDerWaalsContact C-N 3.35Å; Y377-G379 PolarHBondContact O-N 2.81Å; G379-R381 PolarHBondContact O-N 2.75Å; G379-L382 PolarHBondContact O-N 2.9Å; G379-A383 VanDerWaalsContact O-CB 3.31Å; G379-A383 WeakPolarHBondContact O-CB 3.35Å; G379-A383 PolarHBondContact O-N 2.8Å
380	A	94.4	Very high	94	Very high	65 Å²	65	40.7 Å²	40.7	54%	0.537	27%	0.265	S	S	.	.	H	α-helix	trans	-65	-39.4	177.5	0	0	0	0	0	112.2	Y377 L378 A383 S384	Y377-A380 PolarHBondContact O-N 3.04Å; L378-A380 VanDerWaalsContact C-N 3.34Å; L378-A380 PolarHBondContact O-N 3.24Å; A380-A383 PolarHBondContact O-N 3.06Å; A380-S384 WeakPolarHBondContact O-CB 3.37Å; A380-S384 PolarHBondContact O-N 2.87Å; A380-S384 PolarHBondContact O-OG 2.85Å
381	R	93.8	Very high	94.2	Very high	58 Å²	58	40.2 Å²	40.2	22%	0.219	25%	0.253	C	S	.	.	H	α-helix	trans	-64.6	-48.6	176.3	-69.1	-66.7	-174.2	-174.8	-1.2	111.5	Y40 Y328 W354 L358 Y377 L378 G379 A383 S384 F385	Y40-R381 PolarHBondContact OH-NH2 2.95Å; Y328-R381 WeakPolarHBondContact OH-CD 3.25Å; W354-R381 HydrophobicContact CH2-CB 4.11Å; W354-R381 HydrophobicContact CZ2-CB 4.16Å; L358-R381 HydrophobicContact CD1-CB 4.21Å; L358-R381 HydrophobicContact CD1-CG 4.26Å; Y377-R381 HydrophobicContact CD2-CG 3.76Å; Y377-R381 HydrophobicContact CE2-CG 4.38Å; Y377-R381 WeakPolarHBondContact O-CG 3.48Å; Y377-R381 PolarHBondContact O-N 3.5Å; L378-R381 PolarHBondContact O-N 3.42Å; G379-R381 PolarHBondContact O-N 2.75Å; R381-A383 VanDerWaalsContact C-N 3.34Å; R381-A383 PolarHBondContact O-N 2.67Å; R381-S384 PolarHBondContact O-N 3.47Å; R381-S384 PolarHBondContact O-OG 2.8Å; R381-F385 PolarHBondContact O-N 3.19Å; R381-F385 VanDerWaalsContact O-N 3.1Å
382	L	95.3	Very high	94.6	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-59.7	-44.7	176.1	-68.2	173.9	0	0	0	111.3	W354 L378 G379 F385 Y386 A424 I428	W354-L382 HydrophobicContact CE3-CD2 4.06Å; W354-L382 HydrophobicContact CZ3-CD2 3.68Å; L378-L382 HydrophobicContact CD1-CD1 4.23Å; L378-L382 HydrophobicContact CD1-CG 4.34Å; L378-L382 HydrophobicContact CG-CD1 4.19Å; L378-L382 WeakPolarHBondContact O-CG 3.43Å; L378-L382 PolarHBondContact O-N 3.2Å; G379-L382 PolarHBondContact O-N 2.9Å; L382-F385 PolarHBondContact O-N 3.12Å; L382-Y386 VanDerWaalsContact O-CD2 3.29Å; L382-Y386 WeakPolarHBondContact O-CD2 3.36Å; L382-Y386 PolarHBondContact O-N 2.82Å; L382-A424 HydrophobicContact CD1-CB 3.67Å; L382-I428 HydrophobicContact CB-CD1 3.6Å
383	A	95.4	Very high	95.1	Very high	31 Å²	31	32.5 Å²	32.5	26%	0.256	20%	0.203	S	C	.	.	H	α-helix	trans	-61.9	-48.1	178.9	0	0	0	0	0	111.4	G379 A380 R381 F385 Y386 E387 I428	G379-A383 VanDerWaalsContact O-CB 3.31Å; G379-A383 WeakPolarHBondContact O-CB 3.35Å; G379-A383 PolarHBondContact O-N 2.8Å; A380-A383 PolarHBondContact O-N 3.06Å; R381-A383 VanDerWaalsContact C-N 3.34Å; R381-A383 PolarHBondContact O-N 2.67Å; A383-F385 PolarHBondContact O-N 3.39Å; A383-Y386 PolarHBondContact O-N 2.77Å; A383-E387 VanDerWaalsContact O-CB 3.25Å; A383-E387 WeakPolarHBondContact O-CB 3.47Å; A383-E387 VanDerWaalsContact O-CG 3.32Å; A383-E387 WeakPolarHBondContact O-CG 3.29Å; A383-E387 PolarHBondContact O-N 3.24Å; A383-I428 HydrophobicContact CB-CD1 3.97Å; A383-I428 HydrophobicContact CB-CG1 4.24Å
384	S	95.6	Very high	95.3	Very high	54 Å²	54	31.2 Å²	31.2	38%	0.378	19%	0.189	S	C	.	.	H	α-helix	trans	-60.4	-27.6	178	73.6	0	0	0	0	113.5	A380 R381 R388	A380-S384 WeakPolarHBondContact O-CB 3.37Å; A380-S384 PolarHBondContact O-N 2.87Å; A380-S384 PolarHBondContact O-OG 2.85Å; R381-S384 PolarHBondContact O-N 3.47Å; R381-S384 PolarHBondContact O-OG 2.8Å; S384-R388 WeakPolarHBondContact O-CG 3.25Å
385	F	96.4	Very high	95.3	Very high	1 Å²	1	32.8 Å²	32.8	0%	0.004	20%	0.199	C	C	.	.	H	α-helix	trans	-78.7	-53.2	176.3	167	-107.3	0	0	0	111.7	I327 I331 M346 A348 W354 R381 L382 A383 E387 R388 I406	I327-F385 HydrophobicContact CG2-CD2 3.52Å; I327-F385 HydrophobicContact CG2-CE2 3.41Å; I327-F385 VanDerWaalsContact CG2-CE2 3.41Å; I327-F385 HydrophobicContact CG2-CG 4.19Å; I327-F385 HydrophobicContact CG2-CZ 4Å; I331-F385 HydrophobicContact CB-CD2 4.37Å; I331-F385 HydrophobicContact CB-CE2 4.05Å; I331-F385 HydrophobicContact CD1-CE2 4.49Å; I331-F385 HydrophobicContact CG1-CE2 4.37Å; I331-F385 HydrophobicContact CG2-CD2 4.49Å; M346-F385 HydrophobicContact CE-CE2 3.65Å; M346-F385 HydrophobicContact CE-CZ 3.81Å; M346-F385 HydrophobicContact SD-CE2 4.03Å; M346-F385 HydrophobicContact SD-CZ 4.18Å; A348-F385 HydrophobicContact CB-CZ 4.27Å; W354-F385 HydrophobicContact CH2-CB 4.03Å; W354-F385 HydrophobicContact CZ3-CB 4.15Å; W354-F385 HydrophobicContact CZ3-CD1 4.33Å; W354-F385 HydrophobicContact CZ3-CG 4.25Å; R381-F385 PolarHBondContact O-N 3.19Å; R381-F385 VanDerWaalsContact O-N 3.1Å; L382-F385 PolarHBondContact O-N 3.12Å; A383-F385 PolarHBondContact O-N 3.39Å; F385-E387 VanDerWaalsContact C-N 3.34Å; F385-E387 PolarHBondContact O-N 3.25Å; F385-R388 WeakPolarHBondContact O-CB 3.35Å; F385-R388 PolarHBondContact O-N 3.24Å; F385-I406 HydrophobicContact CE1-CD1 4.42Å; F385-I406 HydrophobicContact CE1-CG2 3.8Å; F385-I406 HydrophobicContact CE2-CD1 4.33Å; F385-I406 HydrophobicContact CZ-CD1 4.15Å; F385-I406 HydrophobicContact CZ-CG2 3.84Å
386	Y	96.4	Very high	95.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-67.7	-32.2	-177.3	-78.5	-72.5	0	0	0	112.8	T245 L382 A383 R388 A389 I406 T425 I428 V429	T245-Y386 HydrophobicContact CG2-CD1 4.23Å; T245-Y386 WeakPolarHBondContact CG2-O 3.29Å; L382-Y386 VanDerWaalsContact O-CD2 3.29Å; L382-Y386 WeakPolarHBondContact O-CD2 3.36Å; L382-Y386 PolarHBondContact O-N 2.82Å; A383-Y386 PolarHBondContact O-N 2.77Å; Y386-R388 PolarHBondContact O-N 2.79Å; Y386-A389 VanDerWaalsContact O-CB 3.23Å; Y386-A389 WeakPolarHBondContact O-CB 3.27Å; Y386-A389 PolarHBondContact O-N 3.16Å; Y386-A389 VanDerWaalsContact O-N 3.09Å; Y386-I406 HydrophobicContact CD1-CB 4.37Å; Y386-I406 HydrophobicContact CD1-CG2 3.78Å; Y386-I406 HydrophobicContact CE1-CG2 3.69Å; Y386-T425 HydrophobicContact CE2-CG2 4.03Å; Y386-I428 HydrophobicContact CD2-CG2 4.23Å; Y386-I428 HydrophobicContact CG-CG2 4.22Å; Y386-V429 HydrophobicContact CD1-CG1 3.97Å; Y386-V429 HydrophobicContact CD2-CG1 4.41Å; Y386-V429 HydrophobicContact CE1-CG1 3.79Å; Y386-V429 HydrophobicContact CE2-CG1 4.27Å; Y386-V429 HydrophobicContact CG-CG1 4.28Å
387	E	95.6	Very high	94.8	Very high	111 Å²	111	34.1 Å²	34.1	52%	0.519	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-9.1	178.2	-76.7	-63.6	144.5	0	0	114.6	K220 A383 F385 A389	K220-E387 PolarHBondContact NZ-O 3.49Å; K220-E387 IonicContact NZ-OE2 2.83Å; A383-E387 VanDerWaalsContact O-CB 3.25Å; A383-E387 WeakPolarHBondContact O-CB 3.47Å; A383-E387 VanDerWaalsContact O-CG 3.32Å; A383-E387 WeakPolarHBondContact O-CG 3.29Å; A383-E387 PolarHBondContact O-N 3.24Å; F385-E387 VanDerWaalsContact C-N 3.34Å; F385-E387 PolarHBondContact O-N 3.25Å; E387-A389 VanDerWaalsContact C-N 3.27Å
388	R	96.4	Very high	94.7	Very high	13 Å²	13	34.3 Å²	34.3	5%	0.049	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-19.1	170.7	-70.2	174.5	74.9	170.7	-0.5	112.3	V211 V214 I331 T332 E335 S384 F385 Y386	V211-R388 PolarHBondContact O-NH1 3.34Å; V214-R388 HydrophobicContact CG1-CG 4.42Å; V214-R388 HydrophobicContact CG2-CG 4.01Å; I331-R388 HydrophobicContact CD1-CB 4.1Å; I331-R388 HydrophobicContact CG1-CB 3.88Å; I331-R388 VanDerWaalsContact CG2-CZ 3.46Å; I331-R388 VanDerWaalsContact CG2-NH1 3.29Å; T332-R388 PolarHBondContact OG1-NH2 3.36Å; E335-R388 VanDerWaalsContact CD-NH2 3.27Å; E335-R388 WeakPolarHBondContact OE1-CB 3.24Å; E335-R388 WeakPolarHBondContact OE1-CG 3.31Å; E335-R388 IonicContact OE1-CZ 2.73Å; E335-R388 IonicContact OE1-NE 2.75Å; E335-R388 PolarHBondContact OE1-NE 3.43Å; E335-R388 IonicContact OE1-NH2 3.9Å; E335-R388 PolarHBondContact OE1-NH2 3.43Å; E335-R388 IonicContact OE2-CZ 2.64Å; E335-R388 IonicContact OE2-NE 3.58Å; E335-R388 IonicContact OE2-NH2 3.46Å; E335-R388 PolarHBondContact OE2-NH2 3Å; S384-R388 WeakPolarHBondContact O-CG 3.25Å; F385-R388 WeakPolarHBondContact O-CB 3.35Å; F385-R388 PolarHBondContact O-N 3.24Å; Y386-R388 PolarHBondContact O-N 2.79Å
389	A	95.9	Very high	94.6	Very high	8 Å²	8	41 Å²	41	7%	0.066	24%	0.238	C	C	.	.			trans	-67.4	156.3	168.9	0	0	0	0	0	111.2	T245 Y386 E387 V404 I406	T245-A389 HydrophobicContact CG2-CB 3.67Å; Y386-A389 VanDerWaalsContact O-CB 3.23Å; Y386-A389 WeakPolarHBondContact O-CB 3.27Å; Y386-A389 PolarHBondContact O-N 3.16Å; Y386-A389 VanDerWaalsContact O-N 3.09Å; E387-A389 VanDerWaalsContact C-N 3.27Å; A389-V404 WeakPolarHBondContact CA-O 3.42Å; A389-V404 WeakPolarHBondContact CB-O 3.36Å; A389-I406 HydrophobicContact CB-CB 4.24Å; A389-I406 HydrophobicContact CB-CD1 3.69Å; A389-I406 HydrophobicContact CB-CG1 3.74Å
390	G	96.1	Very high	94.6	Very high	11 Å²	11	40.3 Å²	40.3	11%	0.113	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	149.1	158.4	176.5	0	0	0	0	0	113.1	G243 S403 V404	G243-G390 WeakPolarHBondContact O-CA 3.2Å; G243-G390 PolarHBondContact O-N 3.34Å; G390-S403 WeakPolarHBondContact O-CA 3.43Å; G390-V404 PolarHBondContact N-O 3.21Å; G390-V404 PolarHBondContact O-N 2.76Å
391	R	97.3	Very high	94.7	Very high	40 Å²	40	41.7 Å²	41.7	15%	0.151	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	129.7	163.9	-169	175.4	107.2	122.5	32.2	108.3	L221 P222 A223 N224 E401	L221-R391 HydrophobicContact CB-CG 4.44Å; L221-R391 PolarHBondContact N-O 3.02Å; L221-R391 VanDerWaalsContact O-O 3.08Å; P222-R391 PolarHBondContact O-NE 3.01Å; P222-R391 VanDerWaalsContact O-NE 3.09Å; A223-R391 HydrophobicContact CB-CB 4.41Å; N224-R391 PolarHBondContact OD1-NH1 3.04Å; R391-E401 IonicContact CZ-OE2 3.87Å; R391-E401 IonicContact NH1-OE2 3.54Å; R391-E401 IonicContact NH2-OE1 3.6Å; R391-E401 IonicContact NH2-OE2 2.92Å; R391-E401 PolarHBondContact NH2-OE2 2.79Å
392	V	97	Very high	94.8	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.012	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	152.2	-173.4	-54.5	0	0	0	0	110.8	V217 E219 K220 R338 G402	V217-V392 HydrophobicContact CB-CB 4.27Å; V217-V392 HydrophobicContact CB-CG2 4.34Å; V217-V392 HydrophobicContact CG1-CB 4.22Å; V217-V392 HydrophobicContact CG1-CG1 4.45Å; V217-V392 HydrophobicContact CG1-CG2 3.86Å; V217-V392 HydrophobicContact CG2-CB 4.44Å; V217-V392 HydrophobicContact CG2-CG1 4.39Å; E219-V392 WeakPolarHBondContact O-CA 3.42Å; K220-V392 HydrophobicContact CG-CG1 4.13Å; R338-V392 HydrophobicContact CG-CG2 4.08Å; V392-G402 PolarHBondContact N-O 3.48Å; V392-G402 PolarHBondContact O-N 2.93Å
393	K	97.2	Very high	94.9	Very high	43 Å²	43	38.9 Å²	38.9	19%	0.187	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	118.9	162.3	-168.9	170.7	179.2	172.9	0	108	T218 E219 L221 E399	T218-K393 WeakPolarHBondContact CB-O 3.44Å; T218-K393 PolarHBondContact N-O 3.25Å; E219-K393 HydrophobicContact CG-CB 3.64Å; E219-K393 HydrophobicContact CG-CD 4.28Å; E219-K393 PolarHBondContact O-N 3.26Å; E219-K393 WeakPolarHBondContact OE1-CD 3.35Å; L221-K393 HydrophobicContact CD1-CB 4.33Å; K393-E399 WeakPolarHBondContact CE-OE1 3.47Å; K393-E399 VanDerWaalsContact NZ-CD 3.27Å; K393-E399 IonicContact NZ-OE1 2.71Å; K393-E399 PolarHBondContact NZ-OE1 2.87Å; K393-E399 IonicContact NZ-OE2 3.64Å; K393-E399 PolarHBondContact NZ-OE2 2.93Å
394	C	95.1	Very high	95.1	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.02	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-65.2	158	-177.8	-56.4	0	0	0	0	110.8	T218 R338 R400	T218-C394 PolarHBondContact OG1-O 3.17Å; R338-C394 PolarHBondContact O-SG 2.87Å; C394-R400 HydrophobicContact CB-CB 4.11Å; C394-R400 PolarHBondContact N-O 2.97Å
395	L	93.8	Very high	95.2	Very high	47 Å²	47	34.9 Å²	34.9	25%	0.246	18%	0.18	C	C	.	.	S	Bend	trans	-83.8	143.2	176.6	-167.9	136.6	0	0	0	110.5	G149 G150 P216 T218 R400	G149-L395 WeakPolarHBondContact O-CD2 3.16Å; G150-L395 CarbonylContact C-O 3.58Å; P216-L395 HydrophobicContact CB-CD1 4.48Å; T218-L395 WeakPolarHBondContact OG1-CA 3.37Å; L395-R400 PolarHBondContact O-NH2 3.41Å; L395-R400 VanDerWaalsContact O-NH2 3.13Å
396	G	90.1	Very high	95.2	Very high	17 Å²	17	34.9 Å²	34.9	18%	0.175	18%	0.179	C	C	.	.	S	Bend	trans	84.6	166.6	177.7	0	0	0	0	0	115.6	D151 P398 R400	D151-G396 VanDerWaalsContact OD1-C 3.31Å; D151-G396 WeakPolarHBondContact OD1-CA 3.28Å; G396-P398 VanDerWaalsContact O-O 3.05Å; G396-R400 PolarHBondContact O-NH2 3.16Å
397	N	88.4	Confident	95.2	Very high	101 Å²	101	34.9 Å²	34.9	54%	0.54	18%	0.18	S	C	.	.	S	Bend	trans	-86.4	142	178.4	-60.8	-64.7	0	0	0	111.1	D151 I152	D151-N397 VanDerWaalsContact CA-O 3.3Å; D151-N397 WeakPolarHBondContact CA-O 3.46Å; D151-N397 PolarHBondContact OD1-N 3.42Å; I152-N397 PolarHBondContact N-O 2.69Å
398	P	89.8	Confident	95.2	Very high	73 Å²	73	29.6 Å²	29.6	47%	0.474	16%	0.155	S	C	.	.	S	Bend	cis	-70.5	160.1	-3.5	31	-36.3	0	0	0	112.9	I152 G396 R400	I152-P398 HydrophobicContact CD1-CG 4.12Å; G396-P398 VanDerWaalsContact O-O 3.05Å; P398-R400 HydrophobicContact CG-CG 4.33Å; P398-R400 WeakPolarHBondContact O-CG 3.14Å; P398-R400 PolarHBondContact O-N 3Å; P398-R400 PolarHBondContact O-NE 2.98Å
399	E	92.7	Very high	95.1	Very high	149 Å²	149	29.1 Å²	29.1	70%	0.696	15%	0.153	S	C	*	.	P	Polyproline II helix	trans	-60.2	124.8	173.1	-63.2	-158.1	139.5	0	0	110.4	K393	K393-E399 WeakPolarHBondContact CE-OE1 3.47Å; K393-E399 VanDerWaalsContact NZ-CD 3.27Å; K393-E399 IonicContact NZ-OE1 2.71Å; K393-E399 PolarHBondContact NZ-OE1 2.87Å; K393-E399 IonicContact NZ-OE2 3.64Å; K393-E399 PolarHBondContact NZ-OE2 2.93Å
400	R	94.5	Very high	95	Very high	20 Å²	20	28.8 Å²	28.8	8%	0.075	15%	0.151	C	C	.	.			trans	-138.9	145.6	-175.5	-70.4	161.5	-73.2	160.7	-5.4	109.6	G150 I152 M167 D339 C394 L395 G396 P398	G150-R400 PolarHBondContact O-NH2 2.91Å; I152-R400 VanDerWaalsContact CG1-NH1 3.28Å; M167-R400 PolarHBondContact SD-NH1 2.79Å; D339-R400 PolarHBondContact O-NH1 3.19Å; C394-R400 HydrophobicContact CB-CB 4.11Å; C394-R400 PolarHBondContact N-O 2.97Å; L395-R400 PolarHBondContact O-NH2 3.41Å; L395-R400 VanDerWaalsContact O-NH2 3.13Å; G396-R400 PolarHBondContact O-NH2 3.16Å; P398-R400 HydrophobicContact CG-CG 4.33Å; P398-R400 WeakPolarHBondContact O-CG 3.14Å; P398-R400 PolarHBondContact O-N 3Å; P398-R400 PolarHBondContact O-NE 2.98Å
401	E	96.4	Very high	94.7	Very high	93 Å²	93	28.5 Å²	28.5	44%	0.435	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	138.3	168.1	-64.2	-174.8	-171.2	0	0	108.4	L221 G341 R391	L221-E401 HydrophobicContact CD1-CG 4.12Å; G341-E401 CarbonylContact C-O 3.57Å; G341-E401 VanDerWaalsContact CA-O 3.25Å; G341-E401 WeakPolarHBondContact CA-O 3.05Å; R391-E401 IonicContact CZ-OE2 3.87Å; R391-E401 IonicContact NH1-OE2 3.54Å; R391-E401 IonicContact NH2-OE1 3.6Å; R391-E401 IonicContact NH2-OE2 2.92Å; R391-E401 PolarHBondContact NH2-OE2 2.79Å
402	G	96.4	Very high	94.4	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	161.8	175.2	0	0	0	0	0	110	V392	V392-G402 PolarHBondContact N-O 3.48Å; V392-G402 PolarHBondContact O-N 2.93Å
403	S	97.4	Very high	93.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	146.8	176.2	66.9	0	0	0	0	112.1	Y342 H343 V344 G390	Y342-S403 PolarHBondContact O-N 3.5Å; H343-S403 PolarHBondContact ND1-OG 2.95Å; V344-S403 PolarHBondContact N-O 3.04Å; G390-S403 WeakPolarHBondContact O-CA 3.43Å
404	V	98.1	Very high	93.2	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	115.2	166.4	175.2	0	0	0	0	108.4	G243 I331 R338 V344 A389 G390 I406	G243-V404 CarbonylContact C-O 3.49Å; G243-V404 VanDerWaalsContact CA-O 3.29Å; G243-V404 WeakPolarHBondContact CA-O 3.32Å; I331-V404 HydrophobicContact CD1-CG1 4.08Å; R338-V404 HydrophobicContact CB-CG2 3.54Å; R338-V404 HydrophobicContact CG-CG2 3.85Å; V344-V404 HydrophobicContact CB-CG2 4.36Å; V344-V404 WeakPolarHBondContact O-CA 3.3Å; A389-V404 WeakPolarHBondContact CA-O 3.42Å; A389-V404 WeakPolarHBondContact CB-O 3.36Å; G390-V404 PolarHBondContact N-O 3.21Å; G390-V404 PolarHBondContact O-N 2.76Å; V404-I406 HydrophobicContact CG1-CG1 4.11Å
405	S	97.6	Very high	92.6	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.007	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	129.7	170.8	-43.4	0	0	0	0	108.6	G243 G244 V344 M346	G243-S405 PolarHBondContact N-OG 3.44Å; G244-S405 CarbonylContact O-C 3.48Å; G244-S405 WeakPolarHBondContact O-CA 3.22Å; V344-S405 PolarHBondContact O-N 3.06Å; M346-S405 PolarHBondContact N-O 2.94Å
406	I	97.4	Very high	92.2	Very high	0 Å²	0	35 Å²	35	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	126.9	177.1	-65.5	177.9	0	0	0	109.1	G244 T246 I331 M346 F385 Y386 A389 V404	G244-I406 PolarHBondContact O-N 3.1Å; T246-I406 PolarHBondContact N-O 3.43Å; I331-I406 HydrophobicContact CD1-CD1 3.61Å; I331-I406 HydrophobicContact CD1-CG1 4.18Å; M346-I406 HydrophobicContact CB-CG1 4.4Å; F385-I406 HydrophobicContact CE1-CD1 4.42Å; F385-I406 HydrophobicContact CE1-CG2 3.8Å; F385-I406 HydrophobicContact CE2-CD1 4.33Å; F385-I406 HydrophobicContact CZ-CD1 4.15Å; F385-I406 HydrophobicContact CZ-CG2 3.84Å; Y386-I406 HydrophobicContact CD1-CB 4.37Å; Y386-I406 HydrophobicContact CD1-CG2 3.78Å; Y386-I406 HydrophobicContact CE1-CG2 3.69Å; A389-I406 HydrophobicContact CB-CB 4.24Å; A389-I406 HydrophobicContact CB-CD1 3.69Å; A389-I406 HydrophobicContact CB-CG1 3.74Å; V404-I406 HydrophobicContact CG1-CG1 4.11Å
407	V	96.6	Very high	92.1	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	103.7	171.9	-175.8	0	0	0	0	108.7	T246 I248 L263 M346 M347 A348	T246-V407 WeakPolarHBondContact O-CA 3.2Å; I248-V407 HydrophobicContact CD1-CG1 3.46Å; I248-V407 VanDerWaalsContact CD1-CG1 3.46Å; I248-V407 HydrophobicContact CG1-CG1 3.85Å; L263-V407 HydrophobicContact CD2-CB 4.17Å; L263-V407 HydrophobicContact CD2-CG1 4.3Å; L263-V407 HydrophobicContact CD2-CG2 3.58Å; M346-V407 PolarHBondContact O-N 2.88Å; M347-V407 WeakPolarHBondContact CA-O 3.48Å; A348-V407 PolarHBondContact N-O 3.02Å
408	G	95.4	Very high	92.1	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	122.8	-179.5	0	0	0	0	0	112	T246 A247 I248	T246-G408 PolarHBondContact O-N 2.88Å; A247-G408 CarbonylContact C-O 2.96Å; A247-G408 WeakPolarHBondContact CA-O 3.33Å; I248-G408 PolarHBondContact N-O 2.98Å
409	A	93.8	Very high	92.1	Very high	2 Å²	2	33.9 Å²	33.9	2%	0.017	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	122.5	171.7	0	0	0	0	0	110.1	K256 A348 D349 S350 T351	K256-A409 HydrophobicContact CD-CB 4.31Å; A348-A409 PolarHBondContact O-N 3.48Å; D349-A409 HydrophobicContact CB-CB 4.31Å; D349-A409 WeakPolarHBondContact OD1-CB 3.34Å; S350-A409 WeakPolarHBondContact CA-O 3.04Å; T351-A409 PolarHBondContact N-O 3.14Å; T351-A409 PolarHBondContact OG1-O 3.17Å; T351-A409 VanDerWaalsContact OG1-O 3.11Å
410	V	93.9	Very high	92.1	Very high	1 Å²	1	28 Å²	28	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	131	177.9	-169.9	0	0	0	0	108.1	A247 I248 P249 G250 S352 P412 V421 T425	A247-V410 HydrophobicContact CB-CG2 4.46Å; I248-V410 PolarHBondContact O-N 3.34Å; P249-V410 VanDerWaalsContact CA-O 3.24Å; P249-V410 WeakPolarHBondContact CA-O 3.34Å; P249-V410 HydrophobicContact CB-CB 4.11Å; G250-V410 PolarHBondContact N-O 3.11Å; G250-V410 VanDerWaalsContact N-O 3.1Å; S352-V410 VanDerWaalsContact OG-CG1 3.31Å; S352-V410 WeakPolarHBondContact OG-CG1 3.39Å; V410-P412 VanDerWaalsContact C-CD 3.45Å; V410-P412 WeakPolarHBondContact O-CD 3.29Å; V410-V421 HydrophobicContact CG1-CG1 4.23Å; V410-T425 HydrophobicContact CG2-CG2 4.08Å
411	S	90.9	Very high	92.1	Very high	6 Å²	6	27 Å²	27	4%	0.042	18%	0.176	C	C	.	.			trans	-115.9	77.8	179.9	-70.3	0	0	0	0	109.6	K256 S352	K256-S411 WeakPolarHBondContact CE-OG 3.26Å; K256-S411 PolarHBondContact NZ-OG 3.43Å; K256-S411 VanDerWaalsContact NZ-OG 3.12Å; S352-S411 PolarHBondContact OG-N 3.43Å
412	P	89.1	Confident	91.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	16%	0.156	C	C	.	.			trans	-62.5	142.8	176.6	23	-30.9	0	0	0	111.3	V410 G414 G415 D416 D419	V410-P412 VanDerWaalsContact C-CD 3.45Å; V410-P412 WeakPolarHBondContact O-CD 3.29Å; P412-G414 PolarHBondContact O-N 3.04Å; P412-G415 PolarHBondContact O-N 2.78Å; P412-D416 WeakPolarHBondContact CB-O 3.34Å; P412-D419 HydrophobicContact CB-CB 4.29Å
413	P	86.1	Confident	91.7	Very high	85 Å²	85	26.1 Å²	26.1	55%	0.552	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-61.3	123.9	174.7	27	-32.9	0	0	0	109.7	G415 D416	P413-G415 PolarHBondContact O-N 2.93Å; P413-G415 VanDerWaalsContact O-N 3.12Å; P413-D416 PolarHBondContact O-N 2.85Å
414	G	83	Confident	91.6	Very high	74 Å²	74	27.3 Å²	27.3	76%	0.763	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	72.1	-1.8	179.5	0	0	0	0	0	116.1	P412	P412-G414 PolarHBondContact O-N 3.04Å
415	G	82.7	Confident	91.4	Very high	26 Å²	26	27.5 Å²	27.5	27%	0.268	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	84.6	14.3	-174.2	0	0	0	0	0	114.3	P412 P413	P412-G415 PolarHBondContact O-N 2.78Å; P413-G415 PolarHBondContact O-N 2.93Å; P413-G415 VanDerWaalsContact O-N 3.12Å
416	D	86.8	Confident	91.2	Very high	87 Å²	87	29.6 Å²	29.6	47%	0.465	20%	0.202	S	C	.	.			trans	-83.5	124.5	-180	-173.4	3.7	0	0	0	111.8	P412 P413 S418	P412-D416 WeakPolarHBondContact CB-O 3.34Å; P413-D416 PolarHBondContact O-N 2.85Å; D416-S418 VanDerWaalsContact C-N 3.25Å; D416-S418 PolarHBondContact O-N 3.3Å; D416-S418 WeakPolarHBondContact OD1-CB 3.41Å; D416-S418 PolarHBondContact OD1-N 3.1Å; D416-S418 PolarHBondContact OD1-OG 3.09Å; D416-S418 PolarHBondContact OD2-OG 3.32Å
417	F	86.9	Confident	91	Very high	64 Å²	64	32.7 Å²	32.7	28%	0.281	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-6.3	178.8	-55.9	-41.6	0	0	0	113.7	P249 D419 T422 I452	P249-F417 HydrophobicContact CB-CD1 4.31Å; P249-F417 HydrophobicContact CB-CE1 3.94Å; P249-F417 HydrophobicContact CG-CD1 4.47Å; P249-F417 HydrophobicContact CG-CE1 3.94Å; F417-D419 PolarHBondContact O-N 3.01Å; F417-T422 HydrophobicContact CB-CG2 4.04Å; F417-T422 HydrophobicContact CD1-CG2 3.99Å; F417-T422 HydrophobicContact CG-CG2 4.42Å; F417-I452 HydrophobicContact CD2-CD1 4.42Å; F417-I452 HydrophobicContact CE2-CD1 3.37Å; F417-I452 HydrophobicContact CZ-CD1 3.75Å
418	S	88	Confident	91	Very high	89 Å²	89	34 Å²	34	62%	0.622	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-11.5	173	82.2	0	0	0	0	113.5	D416	D416-S418 VanDerWaalsContact C-N 3.25Å; D416-S418 PolarHBondContact O-N 3.3Å; D416-S418 WeakPolarHBondContact OD1-CB 3.41Å; D416-S418 PolarHBondContact OD1-N 3.1Å; D416-S418 PolarHBondContact OD1-OG 3.09Å; D416-S418 PolarHBondContact OD2-OG 3.32Å
419	D	90.4	Very high	91	Very high	14 Å²	14	34 Å²	34	8%	0.075	24%	0.241	C	C	.	.	S	Bend	trans	-57	136.4	178.3	173.5	76.6	0	0	0	112	P412 F417 V421 T422 S423	P412-D419 HydrophobicContact CB-CB 4.29Å; F417-D419 PolarHBondContact O-N 3.01Å; D419-V421 PolarHBondContact O-N 3.27Å; D419-V421 VanDerWaalsContact O-N 3.12Å; D419-V421 WeakPolarHBondContact OD2-CA 3.39Å; D419-V421 WeakPolarHBondContact OD2-CB 3.45Å; D419-V421 WeakPolarHBondContact OD2-CG2 3.24Å; D419-V421 PolarHBondContact OD2-N 3.29Å; D419-T422 PolarHBondContact O-N 2.99Å; D419-T422 PolarHBondContact OD2-N 3.42Å; D419-S423 PolarHBondContact O-N 2.97Å
420	P	92.1	Very high	91.1	Very high	25 Å²	25	36.9 Å²	36.9	16%	0.162	25%	0.254	C	S	.	.	H	α-helix	trans	-55.4	-33	-177.7	-29.8	36.3	0	0	0	114.6	D371 Y374 A424	D371-P420 HydrophobicContact CB-CG 4.02Å; Y374-P420 HydrophobicContact CD2-CB 3.86Å; Y374-P420 HydrophobicContact CD2-CG 3.97Å; Y374-P420 HydrophobicContact CE2-CB 4.12Å; Y374-P420 HydrophobicContact CE2-CG 4.12Å; P420-A424 WeakPolarHBondContact O-CB 3.41Å; P420-A424 PolarHBondContact O-N 3.3Å
421	V	94.2	Very high	91.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-69.6	-41	178	-170.9	0	0	0	0	110.3	A355 Y374 L378 V410 D419 T425	A355-V421 HydrophobicContact CB-CB 4.43Å; A355-V421 HydrophobicContact CB-CG1 3.99Å; A355-V421 HydrophobicContact CB-CG2 3.52Å; Y374-V421 HydrophobicContact CE1-CG2 3.9Å; Y374-V421 HydrophobicContact CE2-CG2 4.06Å; Y374-V421 WeakPolarHBondContact OH-CG2 3.44Å; L378-V421 HydrophobicContact CD2-CG2 4.3Å; V410-V421 HydrophobicContact CG1-CG1 4.23Å; D419-V421 PolarHBondContact O-N 3.27Å; D419-V421 VanDerWaalsContact O-N 3.12Å; D419-V421 WeakPolarHBondContact OD2-CA 3.39Å; D419-V421 WeakPolarHBondContact OD2-CB 3.45Å; D419-V421 WeakPolarHBondContact OD2-CG2 3.24Å; D419-V421 PolarHBondContact OD2-N 3.29Å; V421-T425 VanDerWaalsContact O-CB 3.27Å; V421-T425 WeakPolarHBondContact O-CB 3.23Å; V421-T425 PolarHBondContact O-N 2.73Å; V421-T425 PolarHBondContact O-OG1 2.86Å
422	T	93.1	Very high	91.6	Very high	2 Å²	2	37 Å²	37	1%	0.012	25%	0.253	C	S	.	.	H	α-helix	trans	-67.8	-46.7	177.8	-55.2	0	0	0	0	110.9	P249 F417 D419 T425 L426	P249-T422 HydrophobicContact CB-CG2 4.49Å; F417-T422 HydrophobicContact CB-CG2 4.04Å; F417-T422 HydrophobicContact CD1-CG2 3.99Å; F417-T422 HydrophobicContact CG-CG2 4.42Å; D419-T422 PolarHBondContact O-N 2.99Å; D419-T422 PolarHBondContact OD2-N 3.42Å; T422-T425 PolarHBondContact O-N 3.22Å; T422-L426 HydrophobicContact CG2-CD1 4.02Å; T422-L426 HydrophobicContact CG2-CG 4.41Å; T422-L426 WeakPolarHBondContact O-CB 3.45Å; T422-L426 WeakPolarHBondContact O-CG 3.48Å; T422-L426 PolarHBondContact O-N 2.86Å
423	S	92.5	Very high	91.9	Very high	72 Å²	72	37 Å²	37	50%	0.503	25%	0.254	S	S	.	.	H	α-helix	trans	-60.3	-46.8	177.6	-176.3	0	0	0	0	112.2	D419 T425 L426 G427	D419-S423 PolarHBondContact O-N 2.97Å; S423-T425 VanDerWaalsContact C-N 3.35Å; S423-T425 PolarHBondContact O-N 2.96Å; S423-L426 WeakPolarHBondContact O-CB 3.23Å; S423-L426 PolarHBondContact O-N 3Å; S423-G427 PolarHBondContact O-N 2.62Å; S423-G427 VanDerWaalsContact O-N 3.15Å
424	A	94.1	Very high	92.3	Very high	25 Å²	25	33 Å²	33	21%	0.207	23%	0.227	C	C	.	.	H	α-helix	trans	-62.8	-41.6	176.1	0	0	0	0	0	111.9	L382 P420 G427 I428	L382-A424 HydrophobicContact CD1-CB 3.67Å; P420-A424 WeakPolarHBondContact O-CB 3.41Å; P420-A424 PolarHBondContact O-N 3.3Å; A424-G427 PolarHBondContact O-N 2.83Å; A424-I428 VanDerWaalsContact O-CD1 3.25Å; A424-I428 WeakPolarHBondContact O-CD1 3.14Å; A424-I428 WeakPolarHBondContact O-CG1 3.33Å
425	T	95.1	Very high	92.8	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.018	19%	0.192	C	C	.	.	H	α-helix	trans	-64	-44.9	177.7	-58.4	0	0	0	0	111.3	A247 Y386 V410 V421 T422 S423 G427 I428 V429	A247-T425 HydrophobicContact CB-CG2 3.51Å; Y386-T425 HydrophobicContact CE2-CG2 4.03Å; V410-T425 HydrophobicContact CG2-CG2 4.08Å; V421-T425 VanDerWaalsContact O-CB 3.27Å; V421-T425 WeakPolarHBondContact O-CB 3.23Å; V421-T425 PolarHBondContact O-N 2.73Å; V421-T425 PolarHBondContact O-OG1 2.86Å; T422-T425 PolarHBondContact O-N 3.22Å; S423-T425 VanDerWaalsContact C-N 3.35Å; S423-T425 PolarHBondContact O-N 2.96Å; T425-G427 VanDerWaalsContact C-N 3.25Å; T425-G427 PolarHBondContact O-N 3.31Å; T425-I428 PolarHBondContact O-N 3.36Å; T425-V429 HydrophobicContact CG2-CG1 3.73Å; T425-V429 HydrophobicContact CG2-CG2 4.36Å; T425-V429 WeakPolarHBondContact O-CG2 3.32Å; T425-V429 PolarHBondContact O-N 3.11Å
426	L	93.8	Very high	93.2	Very high	45 Å²	45	30.4 Å²	30.4	24%	0.236	19%	0.19	C	C	.	.	H	α-helix	trans	-56.8	-36.3	176.8	-83.8	168.9	0	0	0	113.2	T422 S423 I428 F432 Y454	T422-L426 HydrophobicContact CG2-CD1 4.02Å; T422-L426 HydrophobicContact CG2-CG 4.41Å; T422-L426 WeakPolarHBondContact O-CB 3.45Å; T422-L426 WeakPolarHBondContact O-CG 3.48Å; T422-L426 PolarHBondContact O-N 2.86Å; S423-L426 WeakPolarHBondContact O-CB 3.23Å; S423-L426 PolarHBondContact O-N 3Å; L426-I428 VanDerWaalsContact C-N 3.25Å; L426-I428 PolarHBondContact O-N 3.5Å; L426-F432 HydrophobicContact CD1-CE2 4.3Å; L426-F432 HydrophobicContact CD2-CB 4.31Å; L426-F432 HydrophobicContact CD2-CD1 4.22Å; L426-F432 HydrophobicContact CD2-CD2 3.21Å; L426-F432 HydrophobicContact CD2-CE1 4.36Å; L426-F432 HydrophobicContact CD2-CE2 3.28Å; L426-F432 HydrophobicContact CD2-CG 3.68Å; L426-F432 HydrophobicContact CD2-CZ 3.91Å; L426-F432 HydrophobicContact CG-CD2 4.1Å; L426-F432 HydrophobicContact CG-CE2 3.83Å; L426-Y454 HydrophobicContact CD2-CE1 3.9Å; L426-Y454 WeakPolarHBondContact CD2-OH 3.25Å; L426-Y454 PolarHBondContact O-OH 3.45Å
427	G	92.9	Very high	93.4	Very high	66 Å²	66	31.4 Å²	31.4	68%	0.68	19%	0.19	S	C	*	.	H	α-helix	trans	-68.1	-23.3	177.2	0	0	0	0	0	114	S423 A424 T425	S423-G427 PolarHBondContact O-N 2.62Å; S423-G427 VanDerWaalsContact O-N 3.15Å; A424-G427 PolarHBondContact O-N 2.83Å; T425-G427 VanDerWaalsContact C-N 3.25Å; T425-G427 PolarHBondContact O-N 3.31Å
428	I	95.4	Very high	93.6	Very high	28 Å²	28	35 Å²	35	14%	0.144	21%	0.206	C	C	.	.	H	α-helix	trans	-102.3	-47.2	-173.2	-58	157.7	0	0	0	111.1	L382 A383 Y386 A424 T425 L426	L382-I428 HydrophobicContact CB-CD1 3.6Å; A383-I428 HydrophobicContact CB-CD1 3.97Å; A383-I428 HydrophobicContact CB-CG1 4.24Å; Y386-I428 HydrophobicContact CD2-CG2 4.23Å; Y386-I428 HydrophobicContact CG-CG2 4.22Å; A424-I428 VanDerWaalsContact O-CD1 3.25Å; A424-I428 WeakPolarHBondContact O-CD1 3.14Å; A424-I428 WeakPolarHBondContact O-CG1 3.33Å; T425-I428 PolarHBondContact O-N 3.36Å; L426-I428 VanDerWaalsContact C-N 3.25Å; L426-I428 PolarHBondContact O-N 3.5Å
429	V	96.6	Very high	93.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.181	C	C	.	.			trans	-72.9	148.7	-172.2	-57.9	0	0	0	0	112.5	A247 Y386 T425 V431	A247-V429 HydrophobicContact CB-CB 4.42Å; A247-V429 HydrophobicContact CB-CG1 4.1Å; A247-V429 HydrophobicContact CB-CG2 3.86Å; Y386-V429 HydrophobicContact CD1-CG1 3.97Å; Y386-V429 HydrophobicContact CD2-CG1 4.41Å; Y386-V429 HydrophobicContact CE1-CG1 3.79Å; Y386-V429 HydrophobicContact CE2-CG1 4.27Å; Y386-V429 HydrophobicContact CG-CG1 4.28Å; T425-V429 HydrophobicContact CG2-CG1 3.73Å; T425-V429 HydrophobicContact CG2-CG2 4.36Å; T425-V429 WeakPolarHBondContact O-CG2 3.32Å; T425-V429 PolarHBondContact O-N 3.11Å; V429-V431 WeakPolarHBondContact CG2-O 3.49Å
430	Q	96.4	Very high	93.8	Very high	63 Å²	63	31.8 Å²	31.8	29%	0.294	18%	0.184	S	C	.	.	S	Bend	trans	-91.1	-25.5	177.7	-61	-59.7	-44.9	0	0	113.2	T245 K456 Y457	T245-Q430 PolarHBondContact O-N 3.39Å; T245-Q430 PolarHBondContact OG1-N 3.21Å; Q430-K456 HydrophobicContact CB-CB 4.4Å; Q430-K456 PolarHBondContact O-N 3.23Å; Q430-Y457 HydrophobicContact CB-CD2 4.12Å; Q430-Y457 HydrophobicContact CB-CE1 4.1Å; Q430-Y457 HydrophobicContact CB-CE2 3.37Å; Q430-Y457 WeakPolarHBondContact CB-OH 3.46Å; Q430-Y457 HydrophobicContact CG-CE1 4.21Å; Q430-Y457 HydrophobicContact CG-CE2 4.22Å; Q430-Y457 VanDerWaalsContact CG-OH 3.26Å; Q430-Y457 WeakPolarHBondContact CG-OH 3.01Å
431	V	97.1	Very high	93.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	135.6	176.9	-174.3	0	0	0	0	110	C240 T245 T246 A247 V429 W433 Y457	C240-V431 HydrophobicContact CB-CG2 4.46Å; T245-V431 PolarHBondContact O-N 2.96Å; T245-V431 VanDerWaalsContact O-N 3.16Å; T246-V431 WeakPolarHBondContact CA-O 3.48Å; T246-V431 HydrophobicContact CG2-CB 4.12Å; T246-V431 HydrophobicContact CG2-CG1 3.98Å; A247-V431 PolarHBondContact N-O 3.41Å; V429-V431 WeakPolarHBondContact CG2-O 3.49Å; V431-W433 HydrophobicContact CG1-CG 4.46Å; V431-W433 HydrophobicContact CG1-CZ2 4.27Å; V431-Y457 HydrophobicContact CG2-CD2 3.35Å; V431-Y457 HydrophobicContact CG2-CE2 3.59Å
432	F	96.4	Very high	93.6	Very high	9 Å²	9	47 Å²	47	4%	0.039	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	114.8	-179	178.5	-102.7	0	0	0	110	P249 L426 I452 S453 Y454	P249-F432 HydrophobicContact CB-CE2 4.35Å; P249-F432 HydrophobicContact CG-CD2 4.08Å; P249-F432 HydrophobicContact CG-CE1 4.44Å; P249-F432 HydrophobicContact CG-CE2 3.27Å; P249-F432 HydrophobicContact CG-CZ 3.46Å; P249-F432 VanDerWaalsContact CG-CZ 3.46Å; L426-F432 HydrophobicContact CD1-CE2 4.3Å; L426-F432 HydrophobicContact CD2-CB 4.31Å; L426-F432 HydrophobicContact CD2-CD1 4.22Å; L426-F432 HydrophobicContact CD2-CD2 3.21Å; L426-F432 HydrophobicContact CD2-CE1 4.36Å; L426-F432 HydrophobicContact CD2-CE2 3.28Å; L426-F432 HydrophobicContact CD2-CG 3.68Å; L426-F432 HydrophobicContact CD2-CZ 3.91Å; L426-F432 HydrophobicContact CG-CD2 4.1Å; L426-F432 HydrophobicContact CG-CE2 3.83Å; F432-I452 HydrophobicContact CE1-CG1 4.44Å; F432-S453 WeakPolarHBondContact O-CA 3.11Å; F432-S453 VanDerWaalsContact O-CB 3.31Å; F432-S453 WeakPolarHBondContact O-CB 3.39Å; F432-Y454 HydrophobicContact CB-CD1 3.88Å; F432-Y454 HydrophobicContact CB-CD2 4.33Å; F432-Y454 HydrophobicContact CB-CE1 3.51Å; F432-Y454 HydrophobicContact CB-CE2 3.99Å; F432-Y454 HydrophobicContact CB-CG 4.27Å; F432-Y454 HydrophobicContact CD1-CD1 4Å; F432-Y454 AromaticContact CD1-CE1 3.82Å; F432-Y454 HydrophobicContact CD1-CE1 3.82Å; F432-Y454 HydrophobicContact CG-CD1 4.28Å; F432-Y454 AromaticContact CG-CE1 3.8Å; F432-Y454 HydrophobicContact CG-CE1 3.8Å; F432-Y454 PolarHBondContact N-O 3.21Å; F432-Y454 PolarHBondContact O-N 3.04Å; F432-Y454 VanDerWaalsContact O-N 3.1Å
433	W	96.1	Very high	93.5	Very high	1 Å²	1	54.7 Å²	54.7	0%	0.004	28%	0.277	C	S	.	.			trans	-106.7	85.2	176	-62.1	-24.4	0	0	0	109.7	T229 L234 F238 C240 T246 A247 I248 P249 I259 V431 L435	T229-W433 HydrophobicContact CG2-CH2 3.78Å; T229-W433 HydrophobicContact CG2-CZ2 4.33Å; L234-W433 HydrophobicContact CB-CZ2 4.16Å; L234-W433 HydrophobicContact CD1-CD2 4.39Å; L234-W433 HydrophobicContact CD1-CE3 3.99Å; L234-W433 HydrophobicContact CD1-CH2 4.16Å; L234-W433 HydrophobicContact CD1-CZ2 4.47Å; L234-W433 HydrophobicContact CD1-CZ3 3.89Å; L234-W433 HydrophobicContact CD2-CB 4.42Å; L234-W433 HydrophobicContact CD2-CD2 3.59Å; L234-W433 HydrophobicContact CD2-CE3 3.97Å; L234-W433 HydrophobicContact CD2-CG 3.77Å; L234-W433 HydrophobicContact CD2-CZ2 4.39Å; L234-W433 HydrophobicContact CG-CD2 4.48Å; F238-W433 PolarHBondContact O-NE1 3.34Å; C240-W433 HydrophobicContact CB-CH2 4.34Å; C240-W433 HydrophobicContact CB-CZ2 3.95Å; T246-W433 HydrophobicContact CG2-CD2 3.54Å; T246-W433 HydrophobicContact CG2-CE3 3.56Å; T246-W433 HydrophobicContact CG2-CG 4.17Å; T246-W433 HydrophobicContact CG2-CH2 3.9Å; T246-W433 HydrophobicContact CG2-CZ2 3.94Å; T246-W433 HydrophobicContact CG2-CZ3 3.73Å; A247-W433 PolarHBondContact O-N 2.74Å; I248-W433 HydrophobicContact CD1-CE3 3.65Å; I248-W433 HydrophobicContact CD1-CZ3 3.93Å; I248-W433 HydrophobicContact CG1-CE3 3.68Å; I248-W433 HydrophobicContact CG1-CZ3 4.31Å; P249-W433 WeakPolarHBondContact CD-O 3.45Å; I259-W433 HydrophobicContact CG2-CZ3 4.41Å; V431-W433 HydrophobicContact CG1-CG 4.46Å; V431-W433 HydrophobicContact CG1-CZ2 4.27Å; W433-L435 PolarHBondContact O-N 3.1Å
434	G	94.8	Very high	93.5	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.257	C	S	.	.			trans	-70.7	109.9	-179.9	0	0	0	0	0	111.5	N449 S453	G434-N449 PolarHBondContact O-N 3.03Å; G434-S453 PolarHBondContact N-OG 2.78Å
435	L	93.8	Very high	93.3	Very high	5 Å²	5	55 Å²	55	3%	0.026	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-84.6	128.7	174.4	-57.8	-177.9	0	0	0	111.1	I248 P249 C254 K256 I259 W433 S447 V448	I248-L435 HydrophobicContact CG2-CD1 3.72Å; I248-L435 HydrophobicContact CG2-CD2 4.45Å; I248-L435 HydrophobicContact CG2-CG 3.88Å; P249-L435 WeakPolarHBondContact O-CB 3.47Å; P249-L435 PolarHBondContact O-N 2.96Å; C254-L435 HydrophobicContact CB-CB 3.97Å; C254-L435 HydrophobicContact CB-CD1 4.07Å; K256-L435 HydrophobicContact CB-CD1 4.43Å; K256-L435 HydrophobicContact CG-CD1 3.55Å; I259-L435 HydrophobicContact CD1-CD1 4.22Å; I259-L435 HydrophobicContact CD1-CD2 3.75Å; W433-L435 PolarHBondContact O-N 3.1Å; L435-S447 CarbonylContact C-O 3.46Å; L435-S447 VanDerWaalsContact CA-O 3.29Å; L435-S447 WeakPolarHBondContact CA-O 3.42Å; L435-V448 HydrophobicContact CD2-CB 4.43Å; L435-V448 HydrophobicContact CD2-CG2 3.71Å
436	D	91.1	Very high	93.2	Very high	40 Å²	40	55.4 Å²	55.4	21%	0.214	27%	0.268	C	S	.	.			trans	-101	132.6	179.2	-179.4	13.5	0	0	0	111.9	K438 L439 A440 S447 N449	D436-K438 VanDerWaalsContact C-N 3.32Å; D436-K438 PolarHBondContact O-N 2.97Å; D436-K438 PolarHBondContact OD1-N 3.45Å; D436-L439 HydrophobicContact CB-CD1 4.28Å; D436-L439 HydrophobicContact CB-CG 4.46Å; D436-A440 PolarHBondContact O-N 3.47Å; D436-S447 PolarHBondContact N-O 2.94Å; D436-N449 HydrophobicContact CB-CB 3.8Å
437	K	90.9	Very high	93.2	Very high	108 Å²	108	53.3 Å²	53.3	47%	0.47	26%	0.257	S	S	.	.	H	α-helix	trans	-67.6	-32	177.3	-168.5	175.8	-178.3	-179	0	112	A251 A440 Q441	A251-K437 HydrophobicContact CB-CD 4.22Å; K437-A440 PolarHBondContact O-N 2.91Å; K437-Q441 HydrophobicContact CG-CG 4.48Å; K437-Q441 WeakPolarHBondContact O-CB 3.31Å; K437-Q441 VanDerWaalsContact O-CG 3.32Å; K437-Q441 WeakPolarHBondContact O-CG 3.22Å; K437-Q441 PolarHBondContact O-N 3.45Å
438	K	91	Very high	93.3	Very high	140 Å²	140	50.3 Å²	50.3	61%	0.609	23%	0.225	S	C	*	.	H	α-helix	trans	-64.6	-43.3	179.6	-63.6	178	-178.7	174.7	0	111.4	D436 Q441 R442	D436-K438 VanDerWaalsContact C-N 3.32Å; D436-K438 PolarHBondContact O-N 2.97Å; D436-K438 PolarHBondContact OD1-N 3.45Å; K438-Q441 PolarHBondContact O-N 3.37Å; K438-R442 WeakPolarHBondContact O-CG 3.43Å; K438-R442 PolarHBondContact O-N 2.97Å
439	L	91.5	Very high	93.2	Very high	20 Å²	20	50.3 Å²	50.3	11%	0.105	23%	0.225	C	C	.	.	H	α-helix	trans	-62.3	-46.5	174.8	-71.3	173	0	0	0	111.3	D436 Q441 R442 K443 H444 V448 W450	D436-L439 HydrophobicContact CB-CD1 4.28Å; D436-L439 HydrophobicContact CB-CG 4.46Å; L439-Q441 VanDerWaalsContact C-N 3.35Å; L439-Q441 PolarHBondContact O-N 2.93Å; L439-R442 CarbonylContact O-C 3.57Å; L439-R442 PolarHBondContact O-N 2.92Å; L439-R442 VanDerWaalsContact O-N 3.11Å; L439-K443 PolarHBondContact O-N 3.49Å; L439-H444 HydrophobicContact CB-CB 4.29Å; L439-H444 HydrophobicContact CD2-CB 4.17Å; L439-H444 PolarHBondContact O-N 3.26Å; L439-V448 WeakPolarHBondContact CD1-O 3.43Å; L439-W450 HydrophobicContact CD1-CE3 4.43Å; L439-W450 HydrophobicContact CD1-CH2 4.43Å; L439-W450 HydrophobicContact CD1-CZ3 3.88Å; L439-W450 HydrophobicContact CD2-CH2 3.98Å; L439-W450 HydrophobicContact CD2-CZ3 4.07Å
440	A	90.6	Very high	93.1	Very high	16 Å²	16	51.9 Å²	51.9	13%	0.132	23%	0.231	C	C	.	.	H	α-helix	trans	-60.9	-40.3	177.5	0	0	0	0	0	112.8	D436 K437 R442 K443 F445	D436-A440 PolarHBondContact O-N 3.47Å; K437-A440 PolarHBondContact O-N 2.91Å; A440-R442 VanDerWaalsContact C-N 3.26Å; A440-R442 PolarHBondContact O-N 3.04Å; A440-K443 WeakPolarHBondContact O-CA 3.45Å; A440-K443 PolarHBondContact O-N 2.7Å; A440-F445 HydrophobicContact CB-CE1 4.36Å
441	Q	90.6	Very high	93	Very high	140 Å²	140	52.7 Å²	52.7	65%	0.654	24%	0.237	S	C	*	.	H	α-helix	trans	-63.4	-31.5	175.9	-77	177.5	-14.1	0	0	112.9	K437 K438 L439 K443	K437-Q441 HydrophobicContact CG-CG 4.48Å; K437-Q441 WeakPolarHBondContact O-CB 3.31Å; K437-Q441 VanDerWaalsContact O-CG 3.32Å; K437-Q441 WeakPolarHBondContact O-CG 3.22Å; K437-Q441 PolarHBondContact O-N 3.45Å; K438-Q441 PolarHBondContact O-N 3.37Å; L439-Q441 VanDerWaalsContact C-N 3.35Å; L439-Q441 PolarHBondContact O-N 2.93Å; Q441-K443 PolarHBondContact O-N 3.44Å
442	R	91.2	Very high	92.8	Very high	205 Å²	205	55.9 Å²	55.9	77%	0.774	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	4.3	173.2	-66.1	178	-176.5	178.5	1.3	113.2	K438 L439 A440 H444	K438-R442 WeakPolarHBondContact O-CG 3.43Å; K438-R442 PolarHBondContact O-N 2.97Å; L439-R442 CarbonylContact O-C 3.57Å; L439-R442 PolarHBondContact O-N 2.92Å; L439-R442 VanDerWaalsContact O-N 3.11Å; A440-R442 VanDerWaalsContact C-N 3.26Å; A440-R442 PolarHBondContact O-N 3.04Å; R442-H444 PolarHBondContact O-N 2.97Å
443	K	91.2	Very high	92.7	Very high	162 Å²	162	55.8 Å²	55.8	70%	0.704	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	29.2	-173.4	-57.1	-178.5	176.7	-179.4	0	113.3	L439 A440 Q441 F445	L439-K443 PolarHBondContact O-N 3.49Å; A440-K443 WeakPolarHBondContact O-CA 3.45Å; A440-K443 PolarHBondContact O-N 2.7Å; Q441-K443 PolarHBondContact O-N 3.44Å; K443-F445 HydrophobicContact CB-CE2 4.26Å
444	H	92.2	Very high	92.7	Very high	18 Å²	18	59.1 Å²	59.1	8%	0.083	27%	0.267	C	S	.	.			trans	-83.6	114.9	168.1	-172.1	-74.9	0	0	0	108.3	L439 R442 K516	L439-H444 HydrophobicContact CB-CB 4.29Å; L439-H444 HydrophobicContact CD2-CB 4.17Å; L439-H444 PolarHBondContact O-N 3.26Å; R442-H444 PolarHBondContact O-N 2.97Å; H444-K516 PolarHBondContact NE2-O 3.27Å
445	F	90.8	Very high	92.8	Very high	86 Å²	86	59.7 Å²	59.7	38%	0.377	27%	0.272	S	S	.	.	S	Bend	trans	-129.1	142.3	-178.2	-68.7	-68.5	0	0	0	110.2	A440 K443 Q521 Q522	A440-F445 HydrophobicContact CB-CE1 4.36Å; K443-F445 HydrophobicContact CB-CE2 4.26Å; F445-Q521 CarbonylContact O-C 3.36Å; F445-Q521 WeakPolarHBondContact O-CA 3.49Å; F445-Q521 WeakPolarHBondContact O-CG 3.48Å; F445-Q522 PolarHBondContact O-N 3.33Å; F445-Q522 VanDerWaalsContact O-O 3.13Å
446	P	92.6	Very high	92.9	Very high	12 Å²	12	64.6 Å²	64.6	8%	0.078	29%	0.293	C	S	.	.	S	Bend	cis	-65.9	142.8	-9.1	30	-37	0	0	0	111.9	V233 I259 V448	V233-P446 HydrophobicContact CG1-CG 3.53Å; I259-P446 HydrophobicContact CD1-CB 4.39Å; P446-V448 HydrophobicContact CB-CG2 4.22Å; P446-V448 PolarHBondContact O-N 3.21Å
447	S	93.7	Very high	93.1	Very high	1 Å²	1	64.4 Å²	64.4	1%	0.007	29%	0.289	C	S	.	.			trans	-80.7	39.6	-170.6	65.2	0	0	0	0	113.6	C254 L435 D436	C254-S447 PolarHBondContact O-OG 2.92Å; L435-S447 CarbonylContact C-O 3.46Å; L435-S447 VanDerWaalsContact CA-O 3.29Å; L435-S447 WeakPolarHBondContact CA-O 3.42Å; D436-S447 PolarHBondContact N-O 2.94Å
448	V	95.2	Very high	93.1	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.012	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-78.1	124.4	-177	-178.2	0	0	0	0	109.4	V233 L234 F238 L435 L439 P446 W450	V233-V448 HydrophobicContact CG1-CB 4.33Å; V233-V448 HydrophobicContact CG1-CG2 4.07Å; V233-V448 HydrophobicContact CG2-CB 4.21Å; V233-V448 HydrophobicContact CG2-CG1 4.22Å; L234-V448 HydrophobicContact CD2-CG2 3.8Å; F238-V448 HydrophobicContact CD2-CG1 4.27Å; F238-V448 HydrophobicContact CE2-CG1 4.27Å; L435-V448 HydrophobicContact CD2-CB 4.43Å; L435-V448 HydrophobicContact CD2-CG2 3.71Å; L439-V448 WeakPolarHBondContact CD1-O 3.43Å; P446-V448 HydrophobicContact CB-CG2 4.22Å; P446-V448 PolarHBondContact O-N 3.21Å; V448-W450 PolarHBondContact O-N 3.37Å
449	N	94.7	Very high	93.2	Very high	28 Å²	28	64.6 Å²	64.6	15%	0.15	29%	0.285	C	S	.	.			trans	-81	113.1	171.5	-180	-30.2	0	0	0	109.4	G434 D436 L451 I452 S453	G434-N449 PolarHBondContact O-N 3.03Å; D436-N449 HydrophobicContact CB-CB 3.8Å; N449-L451 VanDerWaalsContact C-N 3.3Å; N449-L451 PolarHBondContact O-N 3.42Å; N449-L451 WeakPolarHBondContact OD1-CB 3.16Å; N449-L451 PolarHBondContact OD1-N 2.8Å; N449-I452 HydrophobicContact CB-CD1 3.81Å; N449-I452 HydrophobicContact CB-CG1 3.71Å; N449-I452 PolarHBondContact OD1-N 2.91Å; N449-S453 WeakPolarHBondContact O-CB 3.39Å; N449-S453 PolarHBondContact O-N 3.46Å; N449-S453 PolarHBondContact O-OG 3.34Å
450	W	94.5	Very high	93.3	Very high	33 Å²	33	65.9 Å²	65.9	13%	0.125	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-10.5	-176.2	53.1	80.9	0	0	0	114.5	L237 F238 L439 V448 L483 K516 L520	L237-W450 HydrophobicContact CD1-CB 4.1Å; F238-W450 HydrophobicContact CE2-CB 4.22Å; F238-W450 HydrophobicContact CZ-CB 4.21Å; F238-W450 WeakPolarHBondContact CZ-O 3.49Å; L439-W450 HydrophobicContact CD1-CE3 4.43Å; L439-W450 HydrophobicContact CD1-CH2 4.43Å; L439-W450 HydrophobicContact CD1-CZ3 3.88Å; L439-W450 HydrophobicContact CD2-CH2 3.98Å; L439-W450 HydrophobicContact CD2-CZ3 4.07Å; V448-W450 PolarHBondContact O-N 3.37Å; W450-L483 HydrophobicContact CG-CD1 4.19Å; W450-K516 HydrophobicContact CH2-CD 3.52Å; W450-K516 HydrophobicContact CH2-CG 3.84Å; W450-K516 HydrophobicContact CZ2-CD 3.47Å; W450-K516 VanDerWaalsContact CZ2-CD 3.47Å; W450-K516 HydrophobicContact CZ2-CG 4Å; W450-L520 HydrophobicContact CD2-CD1 4Å; W450-L520 HydrophobicContact CE3-CD1 3.65Å; W450-L520 HydrophobicContact CZ3-CD1 3.96Å
451	L	92.8	Very high	93.5	Very high	81 Å²	81	65.1 Å²	65.1	42%	0.424	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-41.8	178.5	-61	172.9	0	0	0	111.6	N449 E487	N449-L451 VanDerWaalsContact C-N 3.3Å; N449-L451 PolarHBondContact O-N 3.42Å; N449-L451 WeakPolarHBondContact OD1-CB 3.16Å; N449-L451 PolarHBondContact OD1-N 2.8Å; L451-E487 HydrophobicContact CD1-CB 4.14Å; L451-E487 HydrophobicContact CD1-CG 3.79Å
452	I	92.8	Very high	93.6	Very high	66 Å²	66	60.6 Å²	60.6	34%	0.338	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-24.8	-178.4	67.6	177.8	0	0	0	113.2	F417 F432 N449	F417-I452 HydrophobicContact CD2-CD1 4.42Å; F417-I452 HydrophobicContact CE2-CD1 3.37Å; F417-I452 HydrophobicContact CZ-CD1 3.75Å; F432-I452 HydrophobicContact CE1-CG1 4.44Å; N449-I452 HydrophobicContact CB-CD1 3.81Å; N449-I452 HydrophobicContact CB-CG1 3.71Å; N449-I452 PolarHBondContact OD1-N 2.91Å
453	S	95.6	Very high	93.7	Very high	8 Å²	8	58 Å²	58	6%	0.056	27%	0.269	C	S	.	.			trans	-71	147.8	-177.7	-65	0	0	0	0	110.3	F238 F432 G434 N449	F238-S453 WeakPolarHBondContact CE1-O 3.29Å; F432-S453 WeakPolarHBondContact O-CA 3.11Å; F432-S453 VanDerWaalsContact O-CB 3.31Å; F432-S453 WeakPolarHBondContact O-CB 3.39Å; G434-S453 PolarHBondContact N-OG 2.78Å; N449-S453 WeakPolarHBondContact O-CB 3.39Å; N449-S453 PolarHBondContact O-N 3.46Å; N449-S453 PolarHBondContact O-OG 3.34Å
454	Y	95.8	Very high	93.8	Very high	70 Å²	70	52.6 Å²	52.6	28%	0.275	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	159.2	178.8	65.1	-95.9	0	0	0	111.7	L426 F432 K456	L426-Y454 HydrophobicContact CD2-CE1 3.9Å; L426-Y454 WeakPolarHBondContact CD2-OH 3.25Å; L426-Y454 PolarHBondContact O-OH 3.45Å; F432-Y454 HydrophobicContact CB-CD1 3.88Å; F432-Y454 HydrophobicContact CB-CD2 4.33Å; F432-Y454 HydrophobicContact CB-CE1 3.51Å; F432-Y454 HydrophobicContact CB-CE2 3.99Å; F432-Y454 HydrophobicContact CB-CG 4.27Å; F432-Y454 HydrophobicContact CD1-CD1 4Å; F432-Y454 AromaticContact CD1-CE1 3.82Å; F432-Y454 HydrophobicContact CD1-CE1 3.82Å; F432-Y454 HydrophobicContact CG-CD1 4.28Å; F432-Y454 AromaticContact CG-CE1 3.8Å; F432-Y454 HydrophobicContact CG-CE1 3.8Å; F432-Y454 PolarHBondContact N-O 3.21Å; F432-Y454 PolarHBondContact O-N 3.04Å; F432-Y454 VanDerWaalsContact O-N 3.1Å; Y454-K456 HydrophobicContact CD2-CG 4.42Å
455	S	96.6	Very high	93.9	Very high	13 Å²	13	51.9 Å²	51.9	9%	0.091	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	129	170.5	173.4	0	0	0	0	108.9	P239 Y457 M458	P239-S455 PolarHBondContact O-OG 3.08Å; S455-Y457 VanDerWaalsContact C-N 3.35Å; S455-Y457 PolarHBondContact OG-N 3.31Å; S455-M458 WeakPolarHBondContact O-CG 3.38Å
456	K	95.8	Very high	94	Very high	108 Å²	108	52 Å²	52	47%	0.47	25%	0.246	S	C	.	.	S	Bend	trans	-85.2	-9.6	175.7	-66.5	173	-176.3	162	0	112.7	Q430 Y454 M458	Q430-K456 HydrophobicContact CB-CB 4.4Å; Q430-K456 PolarHBondContact O-N 3.23Å; Y454-K456 HydrophobicContact CD2-CG 4.42Å; K456-M458 VanDerWaalsContact C-N 3.26Å; K456-M458 PolarHBondContact O-N 2.89Å
457	Y	95.4	Very high	94.1	Very high	36 Å²	36	59.6 Å²	59.6	14%	0.141	28%	0.277	C	S	.	.			trans	-80.5	1.9	-178.3	-66.1	-60.4	0	0	0	114.8	V241 G244 Q430 V431 S455 R459 A460 L461	V241-Y457 HydrophobicContact CG1-CD1 4.3Å; V241-Y457 HydrophobicContact CG1-CD2 4.32Å; V241-Y457 HydrophobicContact CG1-CG 3.92Å; V241-Y457 HydrophobicContact CG2-CD1 3.79Å; V241-Y457 HydrophobicContact CG2-CD2 3.83Å; V241-Y457 HydrophobicContact CG2-CE1 3.76Å; V241-Y457 HydrophobicContact CG2-CE2 3.8Å; V241-Y457 HydrophobicContact CG2-CG 3.84Å; G244-Y457 WeakPolarHBondContact CA-OH 3.42Å; Q430-Y457 HydrophobicContact CB-CD2 4.12Å; Q430-Y457 HydrophobicContact CB-CE1 4.1Å; Q430-Y457 HydrophobicContact CB-CE2 3.37Å; Q430-Y457 WeakPolarHBondContact CB-OH 3.46Å; Q430-Y457 HydrophobicContact CG-CE1 4.21Å; Q430-Y457 HydrophobicContact CG-CE2 4.22Å; Q430-Y457 VanDerWaalsContact CG-OH 3.26Å; Q430-Y457 WeakPolarHBondContact CG-OH 3.01Å; V431-Y457 HydrophobicContact CG2-CD2 3.35Å; V431-Y457 HydrophobicContact CG2-CE2 3.59Å; S455-Y457 VanDerWaalsContact C-N 3.35Å; S455-Y457 PolarHBondContact OG-N 3.31Å; Y457-R459 PolarHBondContact O-N 3.43Å; Y457-A460 PolarHBondContact O-N 3.14Å; Y457-A460 VanDerWaalsContact O-N 3.13Å; Y457-L461 PolarHBondContact O-N 3.41Å
458	M	92	Very high	94.1	Very high	29 Å²	29	64.4 Å²	64.4	14%	0.143	30%	0.299	C	S	.	.	H	α-helix	trans	-52.5	-53	-178.4	-60.3	-61.9	-162.9	0	0	111.9	L237 P239 S455 K456 A460 L461 D462 R476	L237-M458 WeakPolarHBondContact O-CE 3.38Å; P239-M458 HydrophobicContact CG-CE 4.38Å; P239-M458 HydrophobicContact CG-SD 3.76Å; S455-M458 WeakPolarHBondContact O-CG 3.38Å; K456-M458 VanDerWaalsContact C-N 3.26Å; K456-M458 PolarHBondContact O-N 2.89Å; M458-A460 VanDerWaalsContact C-N 3.27Å; M458-A460 PolarHBondContact O-N 3.42Å; M458-L461 PolarHBondContact O-N 3.23Å; M458-L461 VanDerWaalsContact O-N 3.1Å; M458-D462 PolarHBondContact O-N 3.23Å; M458-D462 VanDerWaalsContact O-N 3.1Å; M458-R476 PolarHBondContact SD-NH1 3.03Å
459	R	92.8	Very high	94	Very high	223 Å²	223	66.3 Å²	66.3	84%	0.842	31%	0.308	S	S	*	.	H	α-helix	trans	-64.5	-30	-178.3	-61.3	-171.3	73.4	150.2	3.7	113.7	Y457 D462	Y457-R459 PolarHBondContact O-N 3.43Å; R459-D462 WeakPolarHBondContact CA-OD2 3.47Å
460	A	93.3	Very high	93.8	Very high	46 Å²	46	69.6 Å²	69.6	38%	0.38	33%	0.329	S	S	.	.	H	α-helix	trans	-76.8	-26.4	178.5	0	0	0	0	0	112	Y457 M458	Y457-A460 PolarHBondContact O-N 3.14Å; Y457-A460 VanDerWaalsContact O-N 3.13Å; M458-A460 VanDerWaalsContact C-N 3.27Å; M458-A460 PolarHBondContact O-N 3.42Å
461	L	94	Very high	93.7	Very high	0 Å²	0	73.6 Å²	73.6	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-91.9	-13.7	179.7	-75.8	175.2	0	0	0	113.8	P226 P239 V241 Y457 M458 E463 Y464 Y465	P226-L461 HydrophobicContact CB-CD1 4.43Å; P226-L461 HydrophobicContact CB-CD2 3.94Å; P226-L461 HydrophobicContact CG-CD2 4.32Å; P239-L461 HydrophobicContact CB-CD1 3.68Å; P239-L461 HydrophobicContact CG-CD1 3.79Å; V241-L461 HydrophobicContact CG1-CD1 3.73Å; V241-L461 HydrophobicContact CG1-CD2 3.73Å; V241-L461 HydrophobicContact CG1-CG 3.68Å; Y457-L461 PolarHBondContact O-N 3.41Å; M458-L461 PolarHBondContact O-N 3.23Å; M458-L461 VanDerWaalsContact O-N 3.1Å; L461-E463 VanDerWaalsContact C-N 3.27Å; L461-E463 PolarHBondContact O-N 3.48Å; L461-Y464 WeakPolarHBondContact O-CB 3.22Å; L461-Y464 PolarHBondContact O-N 3.01Å; L461-Y465 HydrophobicContact CB-CD2 3.92Å; L461-Y465 HydrophobicContact CB-CE2 3.54Å; L461-Y465 HydrophobicContact CD1-CE2 4.15Å; L461-Y465 HydrophobicContact CG-CE2 4.41Å; L461-Y465 WeakPolarHBondContact O-CD2 3.39Å; L461-Y465 PolarHBondContact O-N 2.88Å
462	D	92.1	Very high	93.8	Very high	46 Å²	46	69.7 Å²	69.7	25%	0.246	33%	0.329	C	S	.	.	H	α-helix	trans	-56.7	-41.3	179.8	-67.3	-23.5	0	0	0	111.2	M458 R459 Y464 Y465 D466 R476	M458-D462 PolarHBondContact O-N 3.23Å; M458-D462 VanDerWaalsContact O-N 3.1Å; R459-D462 WeakPolarHBondContact CA-OD2 3.47Å; D462-Y464 VanDerWaalsContact C-N 3.32Å; D462-Y464 PolarHBondContact O-N 3Å; D462-Y465 PolarHBondContact O-N 3.19Å; D462-D466 WeakPolarHBondContact O-CB 3.46Å; D462-D466 VanDerWaalsContact O-CG 3.24Å; D462-D466 PolarHBondContact O-N 3.49Å; D462-R476 IonicContact OD1-NH2 2.73Å
463	E	93.6	Very high	93.9	Very high	151 Å²	151	68 Å²	68	71%	0.706	32%	0.321	S	S	*	.	H	α-helix	trans	-60.5	-39.3	175.4	-174.1	-177.1	175.7	0	0	112.7	L461 K467	L461-E463 VanDerWaalsContact C-N 3.27Å; L461-E463 PolarHBondContact O-N 3.48Å; E463-K467 PolarHBondContact O-N 3.04Å
464	Y	94	Very high	93.9	Very high	48 Å²	48	71.6 Å²	71.6	19%	0.188	34%	0.344	C	S	.	.	H	α-helix	trans	-67.5	-44	176.7	177	-90	0	0	0	111.2	H225 P226 L461 D462 K467 H468	H225-Y464 AromaticContact CE1-CE2 3.67Å; H225-Y464 AromaticContact ND1-CE2 3.49Å; H225-Y464 WeakPolarHBondContact ND1-CE2 3.26Å; P226-Y464 HydrophobicContact CG-CD1 3.78Å; P226-Y464 HydrophobicContact CG-CE1 3.43Å; P226-Y464 VanDerWaalsContact CG-CE1 3.43Å; P226-Y464 HydrophobicContact CG-CE2 4.4Å; P226-Y464 HydrophobicContact CG-CG 4.4Å; L461-Y464 WeakPolarHBondContact O-CB 3.22Å; L461-Y464 PolarHBondContact O-N 3.01Å; D462-Y464 VanDerWaalsContact C-N 3.32Å; D462-Y464 PolarHBondContact O-N 3Å; Y464-K467 PolarHBondContact O-N 2.8Å; Y464-H468 AromaticContact CD2-CD2 3.89Å; Y464-H468 AromaticContact CE2-CD2 3.63Å; Y464-H468 AromaticContact CE2-NE2 3.95Å; Y464-H468 AromaticContact CZ-CD2 3.92Å; Y464-H468 PolarHBondContact O-CD2 3.48Å; Y464-H468 PolarHBondContact O-N 2.83Å; Y464-H468 VanDerWaalsContact O-N 3.16Å
465	Y	94.6	Very high	93.9	Very high	2 Å²	2	69.2 Å²	69.2	1%	0.008	34%	0.336	C	S	.	.	H	α-helix	trans	-68.8	-39.3	179.1	-66.3	-49.7	0	0	0	112	L461 D462 K467 H468 F469 T470 F472 V473 F534	L461-Y465 HydrophobicContact CB-CD2 3.92Å; L461-Y465 HydrophobicContact CB-CE2 3.54Å; L461-Y465 HydrophobicContact CD1-CE2 4.15Å; L461-Y465 HydrophobicContact CG-CE2 4.41Å; L461-Y465 WeakPolarHBondContact O-CD2 3.39Å; L461-Y465 PolarHBondContact O-N 2.88Å; D462-Y465 PolarHBondContact O-N 3.19Å; Y465-K467 PolarHBondContact O-N 3.02Å; Y465-H468 PolarHBondContact O-N 3.31Å; Y465-F469 CarbonylContact O-C 3.59Å; Y465-F469 VanDerWaalsContact O-CA 3.29Å; Y465-F469 WeakPolarHBondContact O-CA 3.19Å; Y465-F469 PolarHBondContact O-N 3.47Å; Y465-F469 VanDerWaalsContact O-O 3.14Å; Y465-T470 PolarHBondContact O-N 3.26Å; Y465-F472 AromaticContact CD1-CD1 3.9Å; Y465-F472 HydrophobicContact CD1-CD1 3.9Å; Y465-F472 HydrophobicContact CD1-CE1 4.48Å; Y465-F472 HydrophobicContact CD2-CD1 4.19Å; Y465-F472 HydrophobicContact CD2-CE1 4.48Å; Y465-F472 AromaticContact CE1-CD1 3.99Å; Y465-F472 HydrophobicContact CE1-CD1 3.99Å; Y465-F472 HydrophobicContact CE1-CE1 4.15Å; Y465-F472 HydrophobicContact CE2-CD1 4.25Å; Y465-F472 HydrophobicContact CE2-CE1 4.1Å; Y465-F472 HydrophobicContact CG-CD1 4.02Å; Y465-F472 AromaticContact CZ-CE1 3.93Å; Y465-V473 HydrophobicContact CD2-CG2 4.26Å; Y465-V473 HydrophobicContact CG-CG2 4.49Å; Y465-F534 HydrophobicContact CD1-CE1 4.09Å; Y465-F534 HydrophobicContact CD1-CZ 4.03Å; Y465-F534 AromaticContact CE1-CE1 3.78Å; Y465-F534 HydrophobicContact CE1-CE1 3.78Å; Y465-F534 HydrophobicContact CE1-CE2 4.16Å; Y465-F534 AromaticContact CE1-CZ 3.36Å; Y465-F534 HydrophobicContact CE1-CZ 3.36Å
466	D	93	Very high	93.9	Very high	90 Å²	90	69.4 Å²	69.4	48%	0.481	34%	0.335	S	S	.	.	H	α-helix	trans	-60.6	-36.3	177.7	-73	-20.6	0	0	0	112	D462 T470	D462-D466 WeakPolarHBondContact O-CB 3.46Å; D462-D466 VanDerWaalsContact O-CG 3.24Å; D462-D466 PolarHBondContact O-N 3.49Å; D466-T470 PolarHBondContact O-OG1 2.82Å
467	K	94.4	Very high	93.9	Very high	171 Å²	171	68.2 Å²	68.2	74%	0.743	34%	0.337	S	S	*	.	H	α-helix	trans	-74.9	-37.4	178.9	-172.4	177	-179.9	179.8	0	113.9	E463 Y464 Y465	E463-K467 PolarHBondContact O-N 3.04Å; Y464-K467 PolarHBondContact O-N 2.8Å; Y465-K467 PolarHBondContact O-N 3.02Å
468	H	92.8	Very high	93.9	Very high	101 Å²	101	69.7 Å²	69.7	47%	0.468	34%	0.344	S	S	.	.	H	α-helix	trans	-108.9	-33.7	-171.5	-72.3	-80.2	0	0	0	114.6	Y464 Y465	Y464-H468 AromaticContact CD2-CD2 3.89Å; Y464-H468 AromaticContact CE2-CD2 3.63Å; Y464-H468 AromaticContact CE2-NE2 3.95Å; Y464-H468 AromaticContact CZ-CD2 3.92Å; Y464-H468 PolarHBondContact O-CD2 3.48Å; Y464-H468 PolarHBondContact O-N 2.83Å; Y464-H468 VanDerWaalsContact O-N 3.16Å; Y465-H468 PolarHBondContact O-N 3.31Å
469	F	93.1	Very high	94.1	Very high	43 Å²	43	68.4 Å²	68.4	19%	0.189	34%	0.338	C	S	.	.			trans	-145.6	65.4	-172.4	-60	-79.5	0	0	0	111	Y465 E471 F472 F534 V538	Y465-F469 CarbonylContact O-C 3.59Å; Y465-F469 VanDerWaalsContact O-CA 3.29Å; Y465-F469 WeakPolarHBondContact O-CA 3.19Å; Y465-F469 PolarHBondContact O-N 3.47Å; Y465-F469 VanDerWaalsContact O-O 3.14Å; F469-E471 PolarHBondContact O-N 3.23Å; F469-E471 VanDerWaalsContact O-N 3.08Å; F469-F472 HydrophobicContact CB-CB 4.04Å; F469-F472 WeakPolarHBondContact O-CB 3.5Å; F469-F472 PolarHBondContact O-N 2.93Å; F469-F534 HydrophobicContact CB-CE1 4.2Å; F469-F534 HydrophobicContact CD1-CD1 4.14Å; F469-F534 HydrophobicContact CD1-CE1 4.29Å; F469-F534 AromaticContact CD2-CD1 3.51Å; F469-F534 HydrophobicContact CD2-CD1 3.51Å; F469-F534 AromaticContact CD2-CE1 3.5Å; F469-F534 HydrophobicContact CD2-CE1 3.5Å; F469-F534 VanDerWaalsContact CD2-CE1 3.5Å; F469-F534 HydrophobicContact CE1-CD1 4.02Å; F469-F534 AromaticContact CE2-CD1 3.39Å; F469-F534 HydrophobicContact CE2-CD1 3.39Å; F469-F534 AromaticContact CE2-CE1 3.9Å; F469-F534 HydrophobicContact CE2-CE1 3.9Å; F469-F534 HydrophobicContact CE2-CG 4.44Å; F469-F534 AromaticContact CG-CD1 3.9Å; F469-F534 HydrophobicContact CG-CD1 3.9Å; F469-F534 AromaticContact CG-CE1 3.73Å; F469-F534 HydrophobicContact CG-CE1 3.73Å; F469-F534 AromaticContact CZ-CD1 3.66Å; F469-F534 HydrophobicContact CZ-CD1 3.66Å; F469-F534 HydrophobicContact CZ-CE1 4.45Å; F469-V538 HydrophobicContact CD1-CG2 4Å; F469-V538 HydrophobicContact CG-CG2 4.34Å
470	T	91.4	Very high	94.2	Very high	97 Å²	97	61 Å²	61	60%	0.595	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-27.1	-170.5	-37.4	0	0	0	0	113.7	Y465 D466	Y465-T470 PolarHBondContact O-N 3.26Å; D466-T470 PolarHBondContact O-OG1 2.82Å
471	E	92.4	Very high	94.4	Very high	116 Å²	116	62.3 Å²	62.3	54%	0.542	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-12.8	179.5	66.7	-167.6	170.2	0	0	114.4	F469 P474 L475 V538	F469-E471 PolarHBondContact O-N 3.23Å; F469-E471 VanDerWaalsContact O-N 3.08Å; E471-P474 WeakPolarHBondContact O-CD 3.47Å; E471-L475 HydrophobicContact CG-CD1 4.34Å; E471-L475 WeakPolarHBondContact O-CD1 3.44Å; E471-L475 VanDerWaalsContact O-CG 3.25Å; E471-L475 WeakPolarHBondContact O-CG 3.45Å; E471-V538 HydrophobicContact CG-CG1 4.03Å
472	F	95	Very high	94.5	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-72.8	-38.3	-168.4	174.9	-110.6	0	0	0	114.1	A236 Y465 F469 L475 R476 F534 V538 L541	A236-F472 HydrophobicContact CB-CE2 4.06Å; A236-F472 HydrophobicContact CB-CZ 3.91Å; Y465-F472 AromaticContact CD1-CD1 3.9Å; Y465-F472 HydrophobicContact CD1-CD1 3.9Å; Y465-F472 HydrophobicContact CD1-CE1 4.48Å; Y465-F472 HydrophobicContact CD2-CD1 4.19Å; Y465-F472 HydrophobicContact CD2-CE1 4.48Å; Y465-F472 AromaticContact CE1-CD1 3.99Å; Y465-F472 HydrophobicContact CE1-CD1 3.99Å; Y465-F472 HydrophobicContact CE1-CE1 4.15Å; Y465-F472 HydrophobicContact CE2-CD1 4.25Å; Y465-F472 HydrophobicContact CE2-CE1 4.1Å; Y465-F472 HydrophobicContact CG-CD1 4.02Å; Y465-F472 AromaticContact CZ-CE1 3.93Å; F469-F472 HydrophobicContact CB-CB 4.04Å; F469-F472 WeakPolarHBondContact O-CB 3.5Å; F469-F472 PolarHBondContact O-N 2.93Å; F472-L475 WeakPolarHBondContact O-CB 3.48Å; F472-L475 PolarHBondContact O-N 3.44Å; F472-R476 HydrophobicContact CE1-CB 4.48Å; F472-R476 HydrophobicContact CE2-CB 4.45Å; F472-R476 HydrophobicContact CZ-CB 4.13Å; F472-R476 HydrophobicContact CZ-CG 4.49Å; F472-R476 PolarHBondContact O-N 2.7Å; F472-F534 HydrophobicContact CD1-CE1 4.49Å; F472-F534 AromaticContact CD1-CZ 3.88Å; F472-F534 HydrophobicContact CD1-CZ 3.88Å; F472-F534 HydrophobicContact CD2-CZ 4.28Å; F472-F534 AromaticContact CE1-CZ 3.88Å; F472-F534 HydrophobicContact CE1-CZ 3.88Å; F472-F534 HydrophobicContact CE2-CZ 4.28Å; F472-F534 HydrophobicContact CG-CE1 4.44Å; F472-F534 HydrophobicContact CG-CZ 4.1Å; F472-F534 HydrophobicContact CZ-CZ 4.11Å; F472-V538 HydrophobicContact CB-CG2 4.23Å; F472-V538 HydrophobicContact CD2-CG2 3.8Å; F472-V538 HydrophobicContact CG-CG2 4.19Å; F472-L541 HydrophobicContact CE2-CD2 4.17Å
473	V	94.8	Very high	94.7	Very high	31 Å²	31	60.3 Å²	60.3	19%	0.188	30%	0.299	C	S	.	.	H	α-helix	trans	-61.8	-46.5	-175.8	172.3	0	0	0	0	112.3	Y465 R476 T477	Y465-V473 HydrophobicContact CD2-CG2 4.26Å; Y465-V473 HydrophobicContact CG-CG2 4.49Å; V473-R476 PolarHBondContact O-N 3.43Å; V473-T477 PolarHBondContact O-N 2.96Å; V473-T477 PolarHBondContact O-OG1 2.84Å; V473-T477 VanDerWaalsContact O-OG1 3.09Å
474	P	95.9	Very high	94.8	Very high	82 Å²	82	58.9 Å²	58.9	53%	0.532	29%	0.293	S	S	.	.	H	α-helix	trans	-59.2	-43.8	172.2	-25.5	33.8	0	0	0	113.5	E471 R476 T477 K478	E471-P474 WeakPolarHBondContact O-CD 3.47Å; P474-R476 VanDerWaalsContact C-N 3.35Å; P474-R476 PolarHBondContact O-N 3.48Å; P474-T477 WeakPolarHBondContact O-CB 3.24Å; P474-T477 PolarHBondContact O-N 2.91Å; P474-T477 VanDerWaalsContact O-N 3.17Å; P474-K478 PolarHBondContact O-N 2.82Å
475	L	96.2	Very high	94.9	Very high	21 Å²	21	59.5 Å²	59.5	11%	0.11	30%	0.297	C	S	.	.	H	α-helix	trans	-60.3	-44.4	-179.4	-66.5	172.9	0	0	0	111.8	E471 F472 T477 K478 A479 L541 I545	E471-L475 HydrophobicContact CG-CD1 4.34Å; E471-L475 WeakPolarHBondContact O-CD1 3.44Å; E471-L475 VanDerWaalsContact O-CG 3.25Å; E471-L475 WeakPolarHBondContact O-CG 3.45Å; F472-L475 WeakPolarHBondContact O-CB 3.48Å; F472-L475 PolarHBondContact O-N 3.44Å; L475-T477 VanDerWaalsContact C-N 3.33Å; L475-T477 PolarHBondContact O-N 3.15Å; L475-K478 PolarHBondContact O-N 3.22Å; L475-A479 WeakPolarHBondContact O-CB 3.35Å; L475-A479 PolarHBondContact O-N 3.12Å; L475-L541 HydrophobicContact CB-CD2 3.88Å; L475-L541 HydrophobicContact CB-CG 4.16Å; L475-I545 HydrophobicContact CD2-CB 3.72Å; L475-I545 HydrophobicContact CD2-CG1 3.94Å; L475-I545 HydrophobicContact CD2-CG2 3.91Å
476	R	95.2	Very high	94.9	Very high	17 Å²	17	60.3 Å²	60.3	6%	0.064	30%	0.301	C	S	.	.	H	α-helix	trans	-60.6	-42.8	176	-179	-174.5	67.6	-158.7	-3	111.8	A236 L237 M458 D462 F472 V473 P474 A479 K480	A236-R476 WeakPolarHBondContact O-CD 3.5Å; L237-R476 HydrophobicContact CD2-CG 4.34Å; M458-R476 PolarHBondContact SD-NH1 3.03Å; D462-R476 IonicContact OD1-NH2 2.73Å; F472-R476 HydrophobicContact CE1-CB 4.48Å; F472-R476 HydrophobicContact CE2-CB 4.45Å; F472-R476 HydrophobicContact CZ-CB 4.13Å; F472-R476 HydrophobicContact CZ-CG 4.49Å; F472-R476 PolarHBondContact O-N 2.7Å; V473-R476 PolarHBondContact O-N 3.43Å; P474-R476 VanDerWaalsContact C-N 3.35Å; P474-R476 PolarHBondContact O-N 3.48Å; R476-A479 PolarHBondContact O-N 3.32Å; R476-K480 WeakPolarHBondContact O-CG 3.42Å; R476-K480 PolarHBondContact O-N 3.34Å; R476-K480 VanDerWaalsContact O-N 3.09Å
477	T	95.4	Very high	94.9	Very high	82 Å²	82	60.6 Å²	60.6	50%	0.503	30%	0.299	S	S	.	.	H	α-helix	trans	-62.8	-47.8	179.2	-57.8	0	0	0	0	110.8	V473 P474 L475 K480 E481	V473-T477 PolarHBondContact O-N 2.96Å; V473-T477 PolarHBondContact O-OG1 2.84Å; V473-T477 VanDerWaalsContact O-OG1 3.09Å; P474-T477 WeakPolarHBondContact O-CB 3.24Å; P474-T477 PolarHBondContact O-N 2.91Å; P474-T477 VanDerWaalsContact O-N 3.17Å; L475-T477 VanDerWaalsContact C-N 3.33Å; L475-T477 PolarHBondContact O-N 3.15Å; T477-K480 PolarHBondContact O-N 2.97Å; T477-E481 PolarHBondContact O-N 2.92Å; T477-E481 VanDerWaalsContact O-N 3.08Å
478	K	96.3	Very high	94.9	Very high	68 Å²	68	57 Å²	57	30%	0.296	29%	0.288	S	S	.	.	H	α-helix	trans	-63.1	-41.6	176.4	-81.3	-74.3	167.4	-153.5	0	113	P474 L475 K480 E481 I482 I545	P474-K478 PolarHBondContact O-N 2.82Å; L475-K478 PolarHBondContact O-N 3.22Å; K478-K480 VanDerWaalsContact C-N 3.3Å; K478-K480 PolarHBondContact O-N 3.44Å; K478-E481 WeakPolarHBondContact CD-OE2 3.36Å; K478-E481 WeakPolarHBondContact CE-OE2 3.29Å; K478-E481 IonicContact NZ-OE1 3.72Å; K478-E481 PolarHBondContact NZ-OE1 3.11Å; K478-E481 IonicContact NZ-OE2 3.56Å; K478-E481 PolarHBondContact NZ-OE2 3.25Å; K478-E481 WeakPolarHBondContact O-CB 3.45Å; K478-E481 PolarHBondContact O-N 3.02Å; K478-I482 VanDerWaalsContact O-CG1 3.31Å; K478-I482 WeakPolarHBondContact O-CG1 3.45Å; K478-I482 PolarHBondContact O-N 2.98Å; K478-I545 HydrophobicContact CB-CD1 4.22Å; K478-I545 HydrophobicContact CB-CG2 4.14Å
479	A	96	Very high	94.9	Very high	1 Å²	1	53 Å²	53	1%	0.008	27%	0.27	C	S	.	.	H	α-helix	trans	-60.8	-38.8	176.7	0	0	0	0	0	112.5	L475 R476 L483 L541 I545	L475-A479 WeakPolarHBondContact O-CB 3.35Å; L475-A479 PolarHBondContact O-N 3.12Å; R476-A479 PolarHBondContact O-N 3.32Å; A479-L483 VanDerWaalsContact O-CG 3.26Å; A479-L483 WeakPolarHBondContact O-CG 3.47Å; A479-L483 PolarHBondContact O-N 2.78Å; A479-L483 VanDerWaalsContact O-N 3.14Å; A479-L541 HydrophobicContact CB-CD1 4Å; A479-L541 HydrophobicContact CB-CD2 4.49Å; A479-I545 HydrophobicContact CB-CD1 4.25Å
480	K	95.3	Very high	94.9	Very high	69 Å²	69	51.9 Å²	51.9	30%	0.3	27%	0.269	S	S	.	.	H	α-helix	trans	-68.1	-41.7	175.6	-73.9	-172.1	176.4	-168.5	0	112.5	L237 R476 T477 K478 L483 Q484	L237-K480 HydrophobicContact CD2-CG 4.04Å; L237-K480 WeakPolarHBondContact O-CE 3.42Å; L237-K480 PolarHBondContact O-NZ 2.91Å; R476-K480 WeakPolarHBondContact O-CG 3.42Å; R476-K480 PolarHBondContact O-N 3.34Å; R476-K480 VanDerWaalsContact O-N 3.09Å; T477-K480 PolarHBondContact O-N 2.97Å; K478-K480 VanDerWaalsContact C-N 3.3Å; K478-K480 PolarHBondContact O-N 3.44Å; K480-L483 PolarHBondContact O-N 3.49Å; K480-Q484 WeakPolarHBondContact O-CB 3.37Å; K480-Q484 PolarHBondContact O-N 3.37Å
481	E	96.6	Very high	94.8	Very high	72 Å²	72	53.5 Å²	53.5	34%	0.336	27%	0.27	S	S	.	.	H	α-helix	trans	-58.6	-49.9	175.8	-171.9	-178.2	176.6	0	0	110.8	T477 K478 L483 Q484 E485	T477-E481 PolarHBondContact O-N 2.92Å; T477-E481 VanDerWaalsContact O-N 3.08Å; K478-E481 WeakPolarHBondContact CD-OE2 3.36Å; K478-E481 WeakPolarHBondContact CE-OE2 3.29Å; K478-E481 IonicContact NZ-OE1 3.72Å; K478-E481 PolarHBondContact NZ-OE1 3.11Å; K478-E481 IonicContact NZ-OE2 3.56Å; K478-E481 PolarHBondContact NZ-OE2 3.25Å; K478-E481 WeakPolarHBondContact O-CB 3.45Å; K478-E481 PolarHBondContact O-N 3.02Å; E481-L483 PolarHBondContact O-N 3.34Å; E481-Q484 PolarHBondContact O-N 2.82Å; E481-Q484 VanDerWaalsContact O-N 3.14Å; E481-E485 WeakPolarHBondContact O-CG 3.45Å; E481-E485 PolarHBondContact O-N 3.1Å
482	I	96.5	Very high	94.8	Very high	1 Å²	1	52 Å²	52	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-59.6	-43.5	178.4	-67.4	165.5	0	0	0	111.9	K478 Q484 E486 T508 A512 I515 I545 Y548	K478-I482 VanDerWaalsContact O-CG1 3.31Å; K478-I482 WeakPolarHBondContact O-CG1 3.45Å; K478-I482 PolarHBondContact O-N 2.98Å; I482-Q484 VanDerWaalsContact C-N 3.3Å; I482-Q484 PolarHBondContact O-N 3.42Å; I482-E486 WeakPolarHBondContact O-CB 3.31Å; I482-E486 PolarHBondContact O-N 3.02Å; I482-T508 HydrophobicContact CG2-CG2 4.34Å; I482-A512 HydrophobicContact CG2-CB 3.92Å; I482-I515 HydrophobicContact CD1-CD1 4.47Å; I482-I515 HydrophobicContact CG2-CD1 4.12Å; I482-I545 HydrophobicContact CD1-CD1 3.71Å; I482-Y548 HydrophobicContact CD1-CD1 3.68Å; I482-Y548 HydrophobicContact CD1-CD2 3.95Å; I482-Y548 HydrophobicContact CD1-CE1 3.9Å; I482-Y548 HydrophobicContact CD1-CE2 4.16Å; I482-Y548 HydrophobicContact CD1-CG 3.71Å; I482-Y548 HydrophobicContact CG1-CD1 4.34Å; I482-Y548 HydrophobicContact CG1-CD2 4.37Å; I482-Y548 HydrophobicContact CG1-CE1 4.05Å; I482-Y548 HydrophobicContact CG1-CE2 4.08Å; I482-Y548 HydrophobicContact CG1-CG 4.49Å
483	L	96.1	Very high	94.7	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.021	28%	0.275	C	S	.	.	H	α-helix	trans	-68.6	-29.7	179.2	-72.4	169.7	0	0	0	112.8	L237 W450 A479 K480 E481 I515 K516 L520	L237-L483 HydrophobicContact CD1-CD1 4.1Å; W450-L483 HydrophobicContact CG-CD1 4.19Å; A479-L483 VanDerWaalsContact O-CG 3.26Å; A479-L483 WeakPolarHBondContact O-CG 3.47Å; A479-L483 PolarHBondContact O-N 2.78Å; A479-L483 VanDerWaalsContact O-N 3.14Å; K480-L483 PolarHBondContact O-N 3.49Å; E481-L483 PolarHBondContact O-N 3.34Å; L483-I515 HydrophobicContact CD1-CG2 4.45Å; L483-I515 HydrophobicContact CD2-CG2 4.19Å; L483-K516 HydrophobicContact CD2-CG 4.14Å; L483-L520 HydrophobicContact CD1-CD1 4.12Å; L483-L520 HydrophobicContact CD2-CD1 4.21Å
484	Q	95.6	Very high	94.5	Very high	121 Å²	121	60.2 Å²	60.2	57%	0.565	30%	0.303	S	S	*	.	H	α-helix	trans	-76.8	-46.4	176.4	-173.8	171.2	-3.4	0	0	111.1	K480 E481 I482 E486 E487 D488	K480-Q484 WeakPolarHBondContact O-CB 3.37Å; K480-Q484 PolarHBondContact O-N 3.37Å; E481-Q484 PolarHBondContact O-N 2.82Å; E481-Q484 VanDerWaalsContact O-N 3.14Å; I482-Q484 VanDerWaalsContact C-N 3.3Å; I482-Q484 PolarHBondContact O-N 3.42Å; Q484-E486 PolarHBondContact O-N 3.44Å; Q484-E487 PolarHBondContact O-N 3.42Å; Q484-E487 VanDerWaalsContact O-N 3.15Å; Q484-D488 PolarHBondContact O-N 2.98Å
485	E	95.6	Very high	94.3	Very high	60 Å²	60	63 Å²	63	28%	0.28	31%	0.313	S	S	.	.	H	α-helix	trans	-58	-36.4	174.2	-72.6	-176.7	172.2	0	0	111.7	E481 E487 D488 L489 T508	E481-E485 WeakPolarHBondContact O-CG 3.45Å; E481-E485 PolarHBondContact O-N 3.1Å; E485-E487 PolarHBondContact O-N 3Å; E485-D488 PolarHBondContact O-N 3.12Å; E485-L489 WeakPolarHBondContact O-CB 3.18Å; E485-L489 WeakPolarHBondContact O-CG 3.06Å; E485-L489 PolarHBondContact O-N 3.37Å; E485-T508 HydrophobicContact CB-CG2 3.84Å
486	E	95.5	Very high	94.1	Very high	20 Å²	20	66.7 Å²	66.7	9%	0.093	34%	0.336	C	S	.	.	H	α-helix	trans	-63.6	-39.6	177	-173.8	-105.6	170.9	0	0	113.3	I482 Q484 L489 A490 L509 A512 K516	I482-E486 WeakPolarHBondContact O-CB 3.31Å; I482-E486 PolarHBondContact O-N 3.02Å; Q484-E486 PolarHBondContact O-N 3.44Å; E486-L489 PolarHBondContact O-N 3.48Å; E486-A490 WeakPolarHBondContact O-CB 3.4Å; E486-A490 PolarHBondContact O-N 2.65Å; E486-L509 HydrophobicContact CG-CD2 3.76Å; E486-A512 HydrophobicContact CB-CB 3.52Å; E486-A512 HydrophobicContact CG-CB 3.57Å; E486-K516 IonicContact OE1-NZ 3.57Å; E486-K516 PolarHBondContact OE1-NZ 3.36Å; E486-K516 IonicContact OE2-NZ 3.69Å; E486-K516 PolarHBondContact OE2-NZ 3.42Å
487	E	93.3	Very high	93.8	Very high	95 Å²	95	67.3 Å²	67.3	44%	0.444	35%	0.347	S	S	.	.	H	α-helix	trans	-65.7	-45.1	178.5	-173.5	69.5	-170.4	0	0	110.5	L451 Q484 E485 L489 A490 E491	L451-E487 HydrophobicContact CD1-CB 4.14Å; L451-E487 HydrophobicContact CD1-CG 3.79Å; Q484-E487 PolarHBondContact O-N 3.42Å; Q484-E487 VanDerWaalsContact O-N 3.15Å; E485-E487 PolarHBondContact O-N 3Å; E487-L489 VanDerWaalsContact C-N 3.3Å; E487-L489 PolarHBondContact O-N 3.09Å; E487-A490 PolarHBondContact O-N 3.2Å; E487-E491 PolarHBondContact O-N 2.72Å
488	D	93.3	Very high	93.4	Very high	95 Å²	95	68.1 Å²	68.1	51%	0.508	34%	0.344	S	S	.	.	H	α-helix	trans	-59.2	-43.1	176.6	-66	-20.9	0	0	0	110.9	Q484 E485 I492	Q484-D488 PolarHBondContact O-N 2.98Å; E485-D488 PolarHBondContact O-N 3.12Å; D488-I492 PolarHBondContact O-N 3.12Å
489	L	94.4	Very high	93	Very high	19 Å²	19	69.3 Å²	69.3	10%	0.099	37%	0.367	C	S	.	.	H	α-helix	trans	-69.9	-37.2	176.7	-70.1	172.2	0	0	0	112.3	E485 E486 E487 E491 I492 V493 L501 D505 T508 L509	E485-L489 WeakPolarHBondContact O-CB 3.18Å; E485-L489 WeakPolarHBondContact O-CG 3.06Å; E485-L489 PolarHBondContact O-N 3.37Å; E486-L489 PolarHBondContact O-N 3.48Å; E487-L489 VanDerWaalsContact C-N 3.3Å; E487-L489 PolarHBondContact O-N 3.09Å; L489-E491 VanDerWaalsContact C-N 3.28Å; L489-E491 PolarHBondContact O-N 2.73Å; L489-I492 PolarHBondContact O-N 3.1Å; L489-I492 VanDerWaalsContact O-N 3.17Å; L489-V493 WeakPolarHBondContact O-CG2 3.41Å; L489-V493 PolarHBondContact O-N 3.31Å; L489-L501 HydrophobicContact CD2-CD2 4.31Å; L489-D505 HydrophobicContact CD1-CB 3.8Å; L489-D505 HydrophobicContact CD2-CB 3.86Å; L489-T508 HydrophobicContact CD1-CG2 4.16Å; L489-L509 HydrophobicContact CB-CD2 4.12Å; L489-L509 HydrophobicContact CB-CG 4.33Å; L489-L509 HydrophobicContact CD1-CG 4.31Å
490	A	91.5	Very high	92.5	Very high	19 Å²	19	73.7 Å²	73.7	16%	0.157	40%	0.397	C	S	.	.	H	α-helix	trans	-63.1	-34.8	-179.4	0	0	0	0	0	112	E486 E487 V493 Q494	E486-A490 WeakPolarHBondContact O-CB 3.4Å; E486-A490 PolarHBondContact O-N 2.65Å; E487-A490 PolarHBondContact O-N 3.2Å; A490-V493 PolarHBondContact O-N 2.75Å; A490-Q494 VanDerWaalsContact O-CG 3.31Å; A490-Q494 WeakPolarHBondContact O-CG 3.3Å; A490-Q494 PolarHBondContact O-N 2.93Å; A490-Q494 VanDerWaalsContact O-N 3.11Å
491	E	90.8	Very high	92.3	Very high	130 Å²	130	71.4 Å²	71.4	61%	0.607	39%	0.388	S	S	*	.	H	α-helix	trans	-64.2	-46.1	172.5	-170.9	173.1	-171	0	0	111.3	E487 L489 V493 Q494 L495	E487-E491 PolarHBondContact O-N 2.72Å; L489-E491 VanDerWaalsContact C-N 3.28Å; L489-E491 PolarHBondContact O-N 2.73Å; E491-V493 PolarHBondContact O-N 2.91Å; E491-Q494 PolarHBondContact O-N 3.15Å; E491-L495 WeakPolarHBondContact O-CG 3.31Å; E491-L495 PolarHBondContact O-N 3.28Å
492	I	91.6	Very high	92.1	Very high	85 Å²	85	70.3 Å²	70.3	44%	0.436	39%	0.391	S	S	.	.	H	α-helix	trans	-62.4	-42.4	176.5	-62	170.4	0	0	0	111.1	D488 L489 Q494 L495 V496	D488-I492 PolarHBondContact O-N 3.12Å; L489-I492 PolarHBondContact O-N 3.1Å; L489-I492 VanDerWaalsContact O-N 3.17Å; I492-Q494 VanDerWaalsContact C-N 3.28Å; I492-Q494 PolarHBondContact O-N 2.85Å; I492-L495 PolarHBondContact O-N 3.16Å; I492-L495 VanDerWaalsContact O-N 3.15Å; I492-V496 HydrophobicContact CG2-CG2 4.49Å; I492-V496 PolarHBondContact O-N 3.05Å
493	V	93.3	Very high	91.8	Very high	37 Å²	37	71.4 Å²	71.4	22%	0.224	40%	0.397	C	S	.	.	H	α-helix	trans	-60.2	-39.4	177.9	176.8	0	0	0	0	111.2	L489 A490 E491 L495 G497 K498 L501 L509	L489-V493 WeakPolarHBondContact O-CG2 3.41Å; L489-V493 PolarHBondContact O-N 3.31Å; A490-V493 PolarHBondContact O-N 2.75Å; E491-V493 PolarHBondContact O-N 2.91Å; V493-L495 VanDerWaalsContact C-N 3.3Å; V493-L495 PolarHBondContact O-N 3.47Å; V493-G497 WeakPolarHBondContact O-CA 3.28Å; V493-G497 PolarHBondContact O-N 2.71Å; V493-K498 HydrophobicContact CG1-CB 4.11Å; V493-L501 HydrophobicContact CG2-CD1 3.7Å; V493-L501 HydrophobicContact CG2-CD2 4.44Å; V493-L501 HydrophobicContact CG2-CG 4.49Å; V493-L509 HydrophobicContact CG2-CD1 3.95Å
494	Q	90.8	Very high	91.7	Very high	166 Å²	166	73.2 Å²	73.2	78%	0.776	41%	0.408	S	S	*	.	H	α-helix	trans	-67.8	-30.4	178.7	-73.8	174.9	34.4	0	0	112.6	A490 E491 I492	A490-Q494 VanDerWaalsContact O-CG 3.31Å; A490-Q494 WeakPolarHBondContact O-CG 3.3Å; A490-Q494 PolarHBondContact O-N 2.93Å; A490-Q494 VanDerWaalsContact O-N 3.11Å; E491-Q494 PolarHBondContact O-N 3.15Å; I492-Q494 VanDerWaalsContact C-N 3.28Å; I492-Q494 PolarHBondContact O-N 2.85Å
495	L	91.7	Very high	91.6	Very high	142 Å²	142	69.7 Å²	69.7	74%	0.743	39%	0.393	S	S	*	.	H	α-helix	trans	-86.2	-45.7	-178.9	-67.3	172.6	0	0	0	113.4	E491 I492 V493	E491-L495 WeakPolarHBondContact O-CG 3.31Å; E491-L495 PolarHBondContact O-N 3.28Å; I492-L495 PolarHBondContact O-N 3.16Å; I492-L495 VanDerWaalsContact O-N 3.15Å; V493-L495 VanDerWaalsContact C-N 3.3Å; V493-L495 PolarHBondContact O-N 3.47Å
496	V	91.4	Very high	91.4	Very high	98 Å²	98	68.9 Å²	68.9	59%	0.594	39%	0.389	S	S	*	.	H	α-helix	trans	-108.1	-25.2	-169	-175.4	0	0	0	0	112.4	I492	I492-V496 HydrophobicContact CG2-CG2 4.49Å; I492-V496 PolarHBondContact O-N 3.05Å
497	G	88.4	Confident	91.4	Very high	29 Å²	29	68 Å²	68	30%	0.299	39%	0.385	S	S	.	.			trans	95.3	152.5	-176	0	0	0	0	0	114	V493 A499	V493-G497 WeakPolarHBondContact O-CA 3.28Å; V493-G497 PolarHBondContact O-N 2.71Å; G497-A499 PolarHBondContact O-N 2.94Å; G497-A499 VanDerWaalsContact O-N 3.15Å
498	K	88.4	Confident	91.5	Very high	99 Å²	99	63.8 Å²	63.8	43%	0.43	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-63.9	-20.1	-173.9	-168.4	175.9	-179.5	175.9	0	114.4	V493 S500 L501 E510	V493-K498 HydrophobicContact CG1-CB 4.11Å; K498-S500 VanDerWaalsContact C-N 3.32Å; K498-S500 PolarHBondContact O-N 3.42Å; K498-L501 HydrophobicContact CG-CD1 4.11Å; K498-E510 IonicContact NZ-OE1 3.55Å; K498-E510 PolarHBondContact NZ-OE1 2.7Å
499	A	86	Confident	91.6	Very high	93 Å²	93	60.2 Å²	60.2	77%	0.769	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-69.8	-28.1	-173.2	0	0	0	0	0	113.5	G497 L501	G497-A499 PolarHBondContact O-N 2.94Å; G497-A499 VanDerWaalsContact O-N 3.15Å; A499-L501 VanDerWaalsContact C-N 3.34Å; A499-L501 PolarHBondContact O-N 2.93Å
500	S	87.2	Confident	91.6	Very high	94 Å²	94	61.3 Å²	61.3	66%	0.657	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-88.3	2.7	-172.7	-53	0	0	0	0	114.4	K498	K498-S500 VanDerWaalsContact C-N 3.32Å; K498-S500 PolarHBondContact O-N 3.42Å
501	L	90.4	Very high	91.8	Very high	20 Å²	20	60.5 Å²	60.5	11%	0.105	34%	0.343	C	S	.	.	S	Bend	trans	-79.8	150.3	-175.9	-66.7	171.7	0	0	0	112.7	L489 V493 K498 A499 D505 K506 L509	L489-L501 HydrophobicContact CD2-CD2 4.31Å; V493-L501 HydrophobicContact CG2-CD1 3.7Å; V493-L501 HydrophobicContact CG2-CD2 4.44Å; V493-L501 HydrophobicContact CG2-CG 4.49Å; K498-L501 HydrophobicContact CG-CD1 4.11Å; A499-L501 VanDerWaalsContact C-N 3.34Å; A499-L501 PolarHBondContact O-N 2.93Å; L501-D505 HydrophobicContact CB-CB 4.27Å; L501-D505 HydrophobicContact CD2-CB 4.33Å; L501-K506 HydrophobicContact CB-CG 4.1Å; L501-K506 VanDerWaalsContact O-CE 3.31Å; L501-K506 WeakPolarHBondContact O-CE 3.24Å; L501-L509 HydrophobicContact CD1-CD1 3.45Å; L501-L509 VanDerWaalsContact CD1-CD1 3.45Å
502	A	91.6	Very high	92	Very high	49 Å²	49	54.3 Å²	54.3	41%	0.405	31%	0.314	S	S	.	.			trans	-66.1	158.4	168.3	0	0	0	0	0	110.9	T504 D505 K506	A502-T504 VanDerWaalsContact C-N 3.28Å; A502-T504 PolarHBondContact O-N 3.25Å; A502-D505 PolarHBondContact N-OD2 3.31Å; A502-D505 PolarHBondContact O-N 2.94Å; A502-K506 WeakPolarHBondContact O-CG 3.18Å; A502-K506 PolarHBondContact O-N 3.39Å; A502-K506 VanDerWaalsContact O-N 3.11Å
503	E	91.4	Very high	92.2	Very high	25 Å²	25	55.5 Å²	55.5	12%	0.117	32%	0.317	C	S	.	.	H	α-helix	trans	-65.5	-32.7	179.7	-68	-59.4	128.8	0	0	112.2	K506 I507 V555 T566 W567	E503-K506 PolarHBondContact O-N 3.34Å; E503-K506 IonicContact OE1-NZ 3.64Å; E503-K506 PolarHBondContact OE1-NZ 2.98Å; E503-I507 WeakPolarHBondContact O-CG1 3.3Å; E503-I507 PolarHBondContact O-N 3.47Å; E503-I507 VanDerWaalsContact O-N 3.08Å; E503-V555 HydrophobicContact CB-CG1 3.71Å; E503-T566 HydrophobicContact CG-CG2 4.42Å; E503-W567 PolarHBondContact OE2-N 3.39Å
504	T	92.8	Very high	92.3	Very high	41 Å²	41	54.7 Å²	54.7	25%	0.252	31%	0.311	S	S	.	.	H	α-helix	trans	-60.6	-44.7	173	47.5	0	0	0	0	111.6	A502 K506 I507 T508 E556	A502-T504 VanDerWaalsContact C-N 3.28Å; A502-T504 PolarHBondContact O-N 3.25Å; T504-K506 VanDerWaalsContact C-N 3.32Å; T504-K506 PolarHBondContact O-N 3.08Å; T504-I507 WeakPolarHBondContact O-CB 3.2Å; T504-I507 PolarHBondContact O-N 3.23Å; T504-I507 VanDerWaalsContact O-N 3.15Å; T504-T508 PolarHBondContact O-N 2.74Å; T504-T508 PolarHBondContact O-OG1 2.81Å; T504-E556 HydrophobicContact CG2-CG 4.35Å
505	D	94.1	Very high	92.6	Very high	48 Å²	48	46.9 Å²	46.9	26%	0.257	27%	0.274	S	S	.	.	H	α-helix	trans	-67.8	-36.1	-178.6	-53.2	-12.7	0	0	0	111	L489 L501 A502 I507 T508 L509	L489-D505 HydrophobicContact CD1-CB 3.8Å; L489-D505 HydrophobicContact CD2-CB 3.86Å; L501-D505 HydrophobicContact CB-CB 4.27Å; L501-D505 HydrophobicContact CD2-CB 4.33Å; A502-D505 PolarHBondContact N-OD2 3.31Å; A502-D505 PolarHBondContact O-N 2.94Å; D505-I507 VanDerWaalsContact C-N 3.35Å; D505-T508 PolarHBondContact O-N 2.81Å; D505-L509 WeakPolarHBondContact O-CG 3.48Å; D505-L509 PolarHBondContact O-N 3.07Å
506	K	92.6	Very high	92.7	Very high	43 Å²	43	41.8 Å²	41.8	19%	0.187	25%	0.246	C	C	.	.	H	α-helix	trans	-63	-41.1	173	-68.3	174.5	-167.8	168.4	0	111.4	L501 A502 E503 T504 L509 E510 W567	L501-K506 HydrophobicContact CB-CG 4.1Å; L501-K506 VanDerWaalsContact O-CE 3.31Å; L501-K506 WeakPolarHBondContact O-CE 3.24Å; A502-K506 WeakPolarHBondContact O-CG 3.18Å; A502-K506 PolarHBondContact O-N 3.39Å; A502-K506 VanDerWaalsContact O-N 3.11Å; E503-K506 PolarHBondContact O-N 3.34Å; E503-K506 IonicContact OE1-NZ 3.64Å; E503-K506 PolarHBondContact OE1-NZ 2.98Å; T504-K506 VanDerWaalsContact C-N 3.32Å; T504-K506 PolarHBondContact O-N 3.08Å; K506-L509 PolarHBondContact O-N 3.13Å; K506-E510 VanDerWaalsContact O-CG 3.3Å; K506-E510 WeakPolarHBondContact O-CG 3.29Å; K506-E510 PolarHBondContact O-N 3.05Å; K506-E510 VanDerWaalsContact O-N 3.14Å; K506-W567 HydrophobicContact CB-CB 4.48Å
507	I	94.4	Very high	92.8	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-62.8	-48.2	174.7	-68.2	165.4	0	0	0	110.1	E503 T504 D505 L509 E510 V511 Y548 A551 V555 W567	E503-I507 WeakPolarHBondContact O-CG1 3.3Å; E503-I507 PolarHBondContact O-N 3.47Å; E503-I507 VanDerWaalsContact O-N 3.08Å; T504-I507 WeakPolarHBondContact O-CB 3.2Å; T504-I507 PolarHBondContact O-N 3.23Å; T504-I507 VanDerWaalsContact O-N 3.15Å; D505-I507 VanDerWaalsContact C-N 3.35Å; I507-L509 VanDerWaalsContact C-N 3.32Å; I507-L509 PolarHBondContact O-N 3.07Å; I507-E510 PolarHBondContact O-N 3.08Å; I507-V511 HydrophobicContact CG2-CG2 4.11Å; I507-V511 WeakPolarHBondContact O-CG2 3.42Å; I507-V511 PolarHBondContact O-N 3.14Å; I507-Y548 HydrophobicContact CG2-CD2 4.15Å; I507-Y548 HydrophobicContact CG2-CE2 4.37Å; I507-A551 HydrophobicContact CD1-CB 4.29Å; I507-A551 HydrophobicContact CG2-CB 4.06Å; I507-V555 HydrophobicContact CD1-CB 4.08Å; I507-V555 HydrophobicContact CD1-CG2 3.53Å; I507-W567 HydrophobicContact CG1-CB 4.47Å; I507-W567 HydrophobicContact CG1-CE3 3.9Å
508	T	95.8	Very high	93	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.031	22%	0.222	C	C	.	.	H	α-helix	trans	-55.6	-46.8	177.9	-62.5	0	0	0	0	111.3	I482 E485 L489 T504 D505 E510 A512	I482-T508 HydrophobicContact CG2-CG2 4.34Å; E485-T508 HydrophobicContact CB-CG2 3.84Å; L489-T508 HydrophobicContact CD1-CG2 4.16Å; T504-T508 PolarHBondContact O-N 2.74Å; T504-T508 PolarHBondContact O-OG1 2.81Å; D505-T508 PolarHBondContact O-N 2.81Å; T508-E510 PolarHBondContact O-N 3.46Å; T508-A512 WeakPolarHBondContact O-CB 3.38Å; T508-A512 PolarHBondContact O-N 2.79Å
509	L	94.8	Very high	93.4	Very high	21 Å²	21	34.5 Å²	34.5	11%	0.11	20%	0.202	C	C	.	.	H	α-helix	trans	-60.9	-42.2	178.1	-76.4	165.4	0	0	0	113.4	E486 L489 V493 L501 D505 K506 I507 K513	E486-L509 HydrophobicContact CG-CD2 3.76Å; L489-L509 HydrophobicContact CB-CD2 4.12Å; L489-L509 HydrophobicContact CB-CG 4.33Å; L489-L509 HydrophobicContact CD1-CG 4.31Å; V493-L509 HydrophobicContact CG2-CD1 3.95Å; L501-L509 HydrophobicContact CD1-CD1 3.45Å; L501-L509 VanDerWaalsContact CD1-CD1 3.45Å; D505-L509 WeakPolarHBondContact O-CG 3.48Å; D505-L509 PolarHBondContact O-N 3.07Å; K506-L509 PolarHBondContact O-N 3.13Å; I507-L509 VanDerWaalsContact C-N 3.32Å; I507-L509 PolarHBondContact O-N 3.07Å; L509-K513 WeakPolarHBondContact O-CB 3.49Å; L509-K513 PolarHBondContact O-N 3.18Å
510	E	94.1	Very high	93.8	Very high	42 Å²	42	30.2 Å²	30.2	20%	0.196	17%	0.166	C	C	.	.	H	α-helix	trans	-76.6	-38	-176.8	-64.6	-73.8	167.4	0	0	111.9	K498 K506 I507 T508 K513 L514 W567	K498-E510 IonicContact NZ-OE1 3.55Å; K498-E510 PolarHBondContact NZ-OE1 2.7Å; K506-E510 VanDerWaalsContact O-CG 3.3Å; K506-E510 WeakPolarHBondContact O-CG 3.29Å; K506-E510 PolarHBondContact O-N 3.05Å; K506-E510 VanDerWaalsContact O-N 3.14Å; I507-E510 PolarHBondContact O-N 3.08Å; T508-E510 PolarHBondContact O-N 3.46Å; E510-K513 WeakPolarHBondContact O-CB 3.44Å; E510-K513 PolarHBondContact O-N 2.92Å; E510-L514 PolarHBondContact O-N 3.3Å; E510-W567 HydrophobicContact CB-CH2 3.97Å; E510-W567 HydrophobicContact CB-CZ2 3.49Å; E510-W567 VanDerWaalsContact CB-CZ2 3.49Å; E510-W567 HydrophobicContact CG-CZ2 3.68Å
511	V	95.8	Very high	94.2	Very high	1 Å²	1	29 Å²	29	1%	0.006	15%	0.15	C	C	.	.	H	α-helix	trans	-68.9	-41.4	172.9	174.8	0	0	0	0	111.1	I507 K513 L514 I515 F547 Y548	I507-V511 HydrophobicContact CG2-CG2 4.11Å; I507-V511 WeakPolarHBondContact O-CG2 3.42Å; I507-V511 PolarHBondContact O-N 3.14Å; V511-K513 VanDerWaalsContact C-N 3.26Å; V511-K513 PolarHBondContact O-N 3.23Å; V511-L514 WeakPolarHBondContact O-CA 3.42Å; V511-L514 VanDerWaalsContact O-CB 3.32Å; V511-L514 WeakPolarHBondContact O-CB 3.36Å; V511-L514 PolarHBondContact O-N 3.3Å; V511-L514 VanDerWaalsContact O-N 3.1Å; V511-I515 HydrophobicContact CG1-CD1 4.08Å; V511-I515 HydrophobicContact CG1-CG1 4.43Å; V511-I515 WeakPolarHBondContact O-CG1 3.26Å; V511-I515 PolarHBondContact O-N 3.35Å; V511-F547 HydrophobicContact CG2-CD1 4.02Å; V511-F547 HydrophobicContact CG2-CE1 4.14Å; V511-Y548 HydrophobicContact CB-CD2 4.02Å; V511-Y548 HydrophobicContact CG1-CD2 4.03Å; V511-Y548 HydrophobicContact CG1-CG 4.37Å; V511-Y548 HydrophobicContact CG2-CD2 3.98Å
512	A	96.1	Very high	94.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.8	-38.6	174.7	0	0	0	0	0	111.3	I482 E486 T508 I515 K516	I482-A512 HydrophobicContact CG2-CB 3.92Å; E486-A512 HydrophobicContact CB-CB 3.52Å; E486-A512 HydrophobicContact CG-CB 3.57Å; T508-A512 WeakPolarHBondContact O-CB 3.38Å; T508-A512 PolarHBondContact O-N 2.79Å; A512-I515 PolarHBondContact O-N 2.68Å; A512-K516 WeakPolarHBondContact O-CG 3.36Å; A512-K516 PolarHBondContact O-N 2.87Å
513	K	94.8	Very high	94.3	Very high	111 Å²	111	29.5 Å²	29.5	48%	0.483	15%	0.146	S	C	.	.	H	α-helix	trans	-61.4	-44.9	171.5	-174.1	-176.9	174.9	-169.1	0	111.9	L509 E510 V511 I515 K516 D517	L509-K513 WeakPolarHBondContact O-CB 3.49Å; L509-K513 PolarHBondContact O-N 3.18Å; E510-K513 WeakPolarHBondContact O-CB 3.44Å; E510-K513 PolarHBondContact O-N 2.92Å; V511-K513 VanDerWaalsContact C-N 3.26Å; V511-K513 PolarHBondContact O-N 3.23Å; K513-I515 VanDerWaalsContact C-N 3.33Å; K513-I515 PolarHBondContact O-N 3.38Å; K513-K516 PolarHBondContact O-N 2.84Å; K513-K516 VanDerWaalsContact O-N 3.17Å; K513-D517 WeakPolarHBondContact CE-OD2 3.4Å; K513-D517 PolarHBondContact O-N 3.42Å
514	L	95.4	Very high	94.1	Very high	19 Å²	19	29.5 Å²	29.5	10%	0.099	15%	0.152	C	C	.	.	H	α-helix	trans	-56.9	-46	174.7	-174.4	72.8	0	0	0	111.4	E510 V511 K516 D517 D518 M544 L581	E510-L514 PolarHBondContact O-N 3.3Å; V511-L514 WeakPolarHBondContact O-CA 3.42Å; V511-L514 VanDerWaalsContact O-CB 3.32Å; V511-L514 WeakPolarHBondContact O-CB 3.36Å; V511-L514 PolarHBondContact O-N 3.3Å; V511-L514 VanDerWaalsContact O-N 3.1Å; L514-K516 VanDerWaalsContact C-N 3.35Å; L514-K516 PolarHBondContact O-N 3.2Å; L514-D517 PolarHBondContact O-N 3.41Å; L514-D518 WeakPolarHBondContact CD1-OD2 3.27Å; L514-D518 WeakPolarHBondContact O-CB 3.47Å; L514-D518 PolarHBondContact O-N 3.42Å; L514-M544 HydrophobicContact CD2-CG 4.2Å; L514-L581 HydrophobicContact CD2-CB 4.4Å; L514-L581 HydrophobicContact CD2-CD1 4.31Å
515	I	96.4	Very high	93.7	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	18%	0.175	C	C	.	.	I	π-helix	trans	-61.3	-43	176.5	-66.7	169.4	0	0	0	110.8	I482 L483 V511 A512 K513 F519 L520 M544	I482-I515 HydrophobicContact CD1-CD1 4.47Å; I482-I515 HydrophobicContact CG2-CD1 4.12Å; L483-I515 HydrophobicContact CD1-CG2 4.45Å; L483-I515 HydrophobicContact CD2-CG2 4.19Å; V511-I515 HydrophobicContact CG1-CD1 4.08Å; V511-I515 HydrophobicContact CG1-CG1 4.43Å; V511-I515 WeakPolarHBondContact O-CG1 3.26Å; V511-I515 PolarHBondContact O-N 3.35Å; A512-I515 PolarHBondContact O-N 2.68Å; K513-I515 VanDerWaalsContact C-N 3.33Å; K513-I515 PolarHBondContact O-N 3.38Å; I515-F519 HydrophobicContact CG2-CB 4.29Å; I515-F519 HydrophobicContact CG2-CD1 4.41Å; I515-F519 WeakPolarHBondContact O-CA 3.45Å; I515-F519 VanDerWaalsContact O-CB 3.28Å; I515-F519 WeakPolarHBondContact O-CB 3.4Å; I515-F519 PolarHBondContact O-N 3.19Å; I515-L520 HydrophobicContact CG2-CD1 4.27Å; I515-L520 HydrophobicContact CG2-CG 4.11Å; I515-L520 PolarHBondContact O-N 2.7Å; I515-M544 HydrophobicContact CG1-SD 4.15Å
516	K	94.6	Very high	93.5	Very high	36 Å²	36	35.2 Å²	35.2	16%	0.157	17%	0.169	C	C	.	.	I	π-helix	trans	-65.1	-44.8	-179.9	-74.9	-176	-63.9	-167.8	0	113.4	H444 W450 L483 E486 A512 K513 L514 L520 Q521	H444-K516 PolarHBondContact NE2-O 3.27Å; W450-K516 HydrophobicContact CH2-CD 3.52Å; W450-K516 HydrophobicContact CH2-CG 3.84Å; W450-K516 HydrophobicContact CZ2-CD 3.47Å; W450-K516 VanDerWaalsContact CZ2-CD 3.47Å; W450-K516 HydrophobicContact CZ2-CG 4Å; L483-K516 HydrophobicContact CD2-CG 4.14Å; E486-K516 IonicContact OE1-NZ 3.57Å; E486-K516 PolarHBondContact OE1-NZ 3.36Å; E486-K516 IonicContact OE2-NZ 3.69Å; E486-K516 PolarHBondContact OE2-NZ 3.42Å; A512-K516 WeakPolarHBondContact O-CG 3.36Å; A512-K516 PolarHBondContact O-N 2.87Å; K513-K516 PolarHBondContact O-N 2.84Å; K513-K516 VanDerWaalsContact O-N 3.17Å; L514-K516 VanDerWaalsContact C-N 3.35Å; L514-K516 PolarHBondContact O-N 3.2Å; K516-L520 HydrophobicContact CG-CD1 4.16Å; K516-Q521 PolarHBondContact O-N 3.02Å
517	D	93	Very high	93.3	Very high	65 Å²	65	36.8 Å²	36.8	35%	0.348	18%	0.184	S	C	.	.	I	π-helix	trans	-83.8	-30.8	-172.5	-66.5	-15	0	0	0	112.6	K513 L514 K585	K513-D517 WeakPolarHBondContact CE-OD2 3.4Å; K513-D517 PolarHBondContact O-N 3.42Å; L514-D517 PolarHBondContact O-N 3.41Å; D517-K585 PolarHBondContact O-NZ 2.66Å
518	D	94	Very high	93	Very high	7 Å²	7	39.3 Å²	39.3	4%	0.037	19%	0.193	C	C	.	.	I	π-helix	trans	-110.4	-34.7	-173.7	-66.7	-39.4	0	0	0	114.9	R232 L514 M544 T582 K585	R232-D518 PolarHBondContact NH1-O 3.03Å; L514-D518 WeakPolarHBondContact CD1-OD2 3.27Å; L514-D518 WeakPolarHBondContact O-CB 3.47Å; L514-D518 PolarHBondContact O-N 3.42Å; D518-M544 HydrophobicContact CB-CE 3.74Å; D518-T582 WeakPolarHBondContact OD1-CG2 3.32Å; D518-T582 WeakPolarHBondContact OD2-CA 3.48Å; D518-T582 WeakPolarHBondContact OD2-CB 3.48Å; D518-T582 VanDerWaalsContact OD2-CG2 3.3Å; D518-T582 WeakPolarHBondContact OD2-CG2 3.49Å; D518-T582 PolarHBondContact OD2-OG1 3.22Å; D518-K585 IonicContact OD1-NZ 3.48Å; D518-K585 PolarHBondContact OD1-NZ 3.18Å
519	F	95.9	Very high	92.7	Very high	1 Å²	1	39.2 Å²	39.2	0%	0.004	19%	0.193	C	C	.	.	I	π-helix	trans	-93.9	-51.9	-179.1	-173.9	-99.5	0	0	0	112.4	R232 A236 I515 T537 M540 L541 M544	R232-F519 HydrophobicContact CB-CE2 4.49Å; R232-F519 HydrophobicContact CB-CZ 4.34Å; R232-F519 WeakPolarHBondContact CD-O 3.44Å; R232-F519 PolarHBondContact NE-O 2.76Å; A236-F519 HydrophobicContact CB-CE1 4.16Å; A236-F519 HydrophobicContact CB-CZ 3.92Å; I515-F519 HydrophobicContact CG2-CB 4.29Å; I515-F519 HydrophobicContact CG2-CD1 4.41Å; I515-F519 WeakPolarHBondContact O-CA 3.45Å; I515-F519 VanDerWaalsContact O-CB 3.28Å; I515-F519 WeakPolarHBondContact O-CB 3.4Å; I515-F519 PolarHBondContact O-N 3.19Å; F519-T537 HydrophobicContact CE2-CG2 3.79Å; F519-T537 WeakPolarHBondContact CE2-O 3.26Å; F519-T537 HydrophobicContact CZ-CG2 3.62Å; F519-M540 HydrophobicContact CD2-CB 4.19Å; F519-M540 HydrophobicContact CE2-CB 4.41Å; F519-L541 HydrophobicContact CD1-CD1 4.35Å; F519-L541 HydrophobicContact CD2-CB 4.5Å; F519-L541 HydrophobicContact CD2-CD1 4.4Å; F519-L541 HydrophobicContact CE1-CD1 4.14Å; F519-L541 HydrophobicContact CE2-CB 3.85Å; F519-L541 HydrophobicContact CE2-CD1 4.2Å; F519-L541 HydrophobicContact CE2-CG 4.5Å; F519-L541 HydrophobicContact CG-CD1 4.48Å; F519-L541 HydrophobicContact CZ-CB 4.14Å; F519-L541 HydrophobicContact CZ-CD1 4.06Å; F519-L541 HydrophobicContact CZ-CD2 4.25Å; F519-L541 HydrophobicContact CZ-CG 4.39Å; F519-M544 HydrophobicContact CB-CE 4.08Å; F519-M544 HydrophobicContact CB-SD 3.87Å
520	L	95.3	Very high	92.5	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.01	21%	0.207	C	C	.	.	I	π-helix	trans	-77.6	-37	-175.3	-62.4	179.6	0	0	0	112.7	V233 L237 W450 L483 I515 K516	V233-L520 HydrophobicContact CB-CD2 3.91Å; V233-L520 HydrophobicContact CG2-CD2 3.81Å; L237-L520 HydrophobicContact CD1-CD2 3.86Å; W450-L520 HydrophobicContact CD2-CD1 4Å; W450-L520 HydrophobicContact CE3-CD1 3.65Å; W450-L520 HydrophobicContact CZ3-CD1 3.96Å; L483-L520 HydrophobicContact CD1-CD1 4.12Å; L483-L520 HydrophobicContact CD2-CD1 4.21Å; I515-L520 HydrophobicContact CG2-CD1 4.27Å; I515-L520 HydrophobicContact CG2-CG 4.11Å; I515-L520 PolarHBondContact O-N 2.7Å; K516-L520 HydrophobicContact CG-CD1 4.16Å
521	Q	94.2	Very high	92.3	Very high	69 Å²	69	44.1 Å²	44.1	32%	0.322	21%	0.21	S	C	.	.			trans	-75.3	129.3	177	-162.2	175.1	7.1	0	0	110.2	R232 F445 K516	R232-Q521 PolarHBondContact NH2-O 2.78Å; F445-Q521 CarbonylContact O-C 3.36Å; F445-Q521 WeakPolarHBondContact O-CA 3.49Å; F445-Q521 WeakPolarHBondContact O-CG 3.48Å; K516-Q521 PolarHBondContact O-N 3.02Å
522	Q	94	Very high	92.2	Very high	6 Å²	6	44.1 Å²	44.1	3%	0.028	21%	0.21	C	C	.	.			trans	-141.5	128	-179.2	-171.4	169.8	-23.3	0	0	110.7	G230 F445 D529	G230-Q522 PolarHBondContact O-NE2 3.42Å; F445-Q522 PolarHBondContact O-N 3.33Å; F445-Q522 VanDerWaalsContact O-O 3.13Å; Q522-D529 HydrophobicContact CG-CB 3.99Å; Q522-D529 WeakPolarHBondContact CG-O 3.31Å; Q522-D529 PolarHBondContact NE2-O 3.19Å
523	N	91.9	Very high	92	Very high	74 Å²	74	44.7 Å²	44.7	40%	0.396	21%	0.214	S	C	.	.			trans	-96.1	101.8	-180	-170.9	-9.2	0	0	0	111.6	Y525 T526 D529	N523-Y525 PolarHBondContact O-N 2.71Å; N523-Y525 VanDerWaalsContact O-N 3.11Å; N523-Y525 PolarHBondContact OD1-N 2.83Å; N523-Y525 VanDerWaalsContact OD1-N 3.16Å; N523-T526 HydrophobicContact CB-CG2 3.99Å; N523-T526 WeakPolarHBondContact ND2-CG2 3.38Å; N523-T526 PolarHBondContact O-N 3.23Å; N523-T526 PolarHBondContact O-OG1 2.98Å; N523-D529 CarbonylContact O-C 3.46Å
524	G	86.1	Confident	92	Very high	24 Å²	24	40.2 Å²	40.2	25%	0.247	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-16	-178.8	0	0	0	0	0	116.1	R530	G524-R530 VanDerWaalsContact O-CB 3.28Å; G524-R530 WeakPolarHBondContact O-CB 3.43Å
525	Y	85.5	Confident	92	Very high	188 Å²	188	41.1 Å²	41.1	74%	0.737	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-12.7	-178.8	-57.2	-63.1	0	0	0	113.9	N523	N523-Y525 PolarHBondContact O-N 2.71Å; N523-Y525 VanDerWaalsContact O-N 3.11Å; N523-Y525 PolarHBondContact OD1-N 2.83Å; N523-Y525 VanDerWaalsContact OD1-N 3.16Å
526	T	89.7	Confident	91.9	Very high	21 Å²	21	41 Å²	41	13%	0.129	20%	0.196	C	C	.	.	S	Bend	trans	-87.7	150.3	-177.8	62.2	0	0	0	0	111.4	N523 Y528 D529 R530	N523-T526 HydrophobicContact CB-CG2 3.99Å; N523-T526 WeakPolarHBondContact ND2-CG2 3.38Å; N523-T526 PolarHBondContact O-N 3.23Å; N523-T526 PolarHBondContact O-OG1 2.98Å; T526-Y528 VanDerWaalsContact C-N 3.28Å; T526-Y528 HydrophobicContact CG2-CE1 4.27Å; T526-Y528 PolarHBondContact O-N 3.09Å; T526-D529 WeakPolarHBondContact OG1-CB 3.37Å; T526-D529 PolarHBondContact OG1-N 3.43Å; T526-R530 WeakPolarHBondContact O-CB 3.38Å; T526-R530 WeakPolarHBondContact O-CG 3.49Å; T526-R530 PolarHBondContact O-N 2.86Å
527	P	86.8	Confident	92	Very high	77 Å²	77	39.3 Å²	39.3	50%	0.5	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-30	-176.6	23.5	-33	0	0	0	113.8	R530	P527-R530 PolarHBondContact O-NE 3.42Å
528	Y	88.7	Confident	92.1	Very high	54 Å²	54	36.3 Å²	36.3	21%	0.212	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-26.7	-174.5	56.6	-97.3	0	0	0	114.5	T526 K536 K585 F586	T526-Y528 VanDerWaalsContact C-N 3.28Å; T526-Y528 HydrophobicContact CG2-CE1 4.27Å; T526-Y528 PolarHBondContact O-N 3.09Å; Y528-K536 PolarHBondContact O-NZ 2.94Å; Y528-K585 WeakPolarHBondContact CD2-O 3.42Å; Y528-F586 HydrophobicContact CD2-CD1 4.36Å; Y528-F586 HydrophobicContact CE1-CD1 4.15Å; Y528-F586 AromaticContact CE2-CD1 3.62Å; Y528-F586 HydrophobicContact CE2-CD1 3.62Å; Y528-F586 HydrophobicContact CE2-CE1 4.12Å; Y528-F586 AromaticContact CZ-CD1 3.51Å; Y528-F586 AromaticContact CZ-CE1 3.89Å; Y528-F586 WeakPolarHBondContact OH-CE1 3.37Å
529	D	90.3	Very high	92.2	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.021	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-2.5	179.6	-85.5	-14.1	0	0	0	113	R232 Q522 N523 T526 F531 K536	R232-D529 IonicContact NH2-OD1 3.23Å; R232-D529 IonicContact NH2-OD2 2.71Å; Q522-D529 HydrophobicContact CG-CB 3.99Å; Q522-D529 WeakPolarHBondContact CG-O 3.31Å; Q522-D529 PolarHBondContact NE2-O 3.19Å; N523-D529 CarbonylContact O-C 3.46Å; T526-D529 WeakPolarHBondContact OG1-CB 3.37Å; T526-D529 PolarHBondContact OG1-N 3.43Å; D529-F531 PolarHBondContact O-N 3.05Å; D529-K536 IonicContact OD1-NZ 2.68Å
530	R	89.1	Confident	92.1	Very high	106 Å²	106	36.4 Å²	36.4	40%	0.4	18%	0.176	S	C	.	.	S	Bend	trans	-59.5	-32.9	173.1	66.8	-172.4	179.4	156.5	3.6	113.2	Y266 G524 T526 P527	Y266-R530 WeakPolarHBondContact CD2-O 3.31Å; Y266-R530 HydrophobicContact CE1-CG 4.32Å; Y266-R530 HydrophobicContact CE2-CB 4.26Å; Y266-R530 WeakPolarHBondContact CE2-O 3.19Å; Y266-R530 WeakPolarHBondContact OH-CB 3.5Å; Y266-R530 WeakPolarHBondContact OH-CD 3.19Å; Y266-R530 WeakPolarHBondContact OH-CG 3.42Å; G524-R530 VanDerWaalsContact O-CB 3.28Å; G524-R530 WeakPolarHBondContact O-CB 3.43Å; T526-R530 WeakPolarHBondContact O-CB 3.38Å; T526-R530 WeakPolarHBondContact O-CG 3.49Å; T526-R530 PolarHBondContact O-N 2.86Å; P527-R530 PolarHBondContact O-NE 3.42Å
531	F	90.4	Very high	92.2	Very high	60 Å²	60	36.3 Å²	36.3	26%	0.263	18%	0.175	S	C	.	.	S	Bend	trans	-141.9	123.1	176.9	174.1	-113.4	0	0	0	109.4	G230 Y266 D529 P533	G230-F531 VanDerWaalsContact CA-CD2 3.44Å; Y266-F531 VanDerWaalsContact CB-CD2 3.41Å; Y266-F531 HydrophobicContact CD1-CB 3.75Å; Y266-F531 HydrophobicContact CD1-CD2 4.25Å; Y266-F531 HydrophobicContact CD1-CG 4.15Å; Y266-F531 HydrophobicContact CD2-CB 4.3Å; Y266-F531 HydrophobicContact CE1-CB 4.09Å; Y266-F531 HydrophobicContact CG-CB 3.88Å; Y266-F531 AromaticContact CG-CD2 3.87Å; Y266-F531 HydrophobicContact CG-CD2 3.87Å; Y266-F531 HydrophobicContact CG-CG 4.18Å; D529-F531 PolarHBondContact O-N 3.05Å; F531-P533 HydrophobicContact CD1-CG 4.13Å; F531-P533 HydrophobicContact CE1-CB 4.35Å; F531-P533 HydrophobicContact CE1-CG 3.79Å
532	C	93.4	Very high	92.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.169	C	C	.	.			trans	-107.2	110.8	174.1	-170.7	0	0	0	0	109.8	G230 R232 T537	G230-C532 PolarHBondContact O-N 2.9Å; R232-C532 HydrophobicContact CG-CB 3.78Å; R232-C532 VanDerWaalsContact CG-SG 3.57Å; C532-T537 PolarHBondContact SG-OG1 3.41Å
533	P	93.6	Very high	92.4	Very high	13 Å²	13	34.1 Å²	34.1	8%	0.084	17%	0.168	C	C	.	.			trans	-60.3	152.4	172.1	-22.4	32.5	0	0	0	112	F531 Y535 K536 T537 P589	F531-P533 HydrophobicContact CD1-CG 4.13Å; F531-P533 HydrophobicContact CE1-CB 4.35Å; F531-P533 HydrophobicContact CE1-CG 3.79Å; P533-Y535 VanDerWaalsContact C-N 3.34Å; P533-Y535 HydrophobicContact CB-CD1 3.74Å; P533-Y535 HydrophobicContact CB-CE1 3.27Å; P533-Y535 HydrophobicContact CB-CE2 4.34Å; P533-Y535 HydrophobicContact CB-CG 4.44Å; P533-Y535 HydrophobicContact CG-CE1 3.96Å; P533-Y535 PolarHBondContact O-N 3Å; P533-K536 WeakPolarHBondContact O-CB 3.33Å; P533-K536 PolarHBondContact O-N 2.8Å; P533-T537 PolarHBondContact O-N 3.23Å; P533-T537 VanDerWaalsContact O-N 3.16Å; P533-T537 PolarHBondContact O-OG1 3.22Å; P533-P589 HydrophobicContact CG-CB 3.54Å; P533-P589 HydrophobicContact CG-CG 4.18Å
534	F	94.6	Very high	92.6	Very high	16 Å²	16	30.6 Å²	30.6	7%	0.07	15%	0.149	C	C	.	.	H	α-helix	trans	-63.2	-37	-173.8	-162.3	-103.1	0	0	0	113.4	L228 D235 Y465 F469 F472 K536 T537 V538	L228-F534 HydrophobicContact CD2-CB 4.35Å; L228-F534 HydrophobicContact CD2-CD2 4.08Å; L228-F534 HydrophobicContact CD2-CG 4.44Å; D235-F534 HydrophobicContact CB-CD2 4.39Å; D235-F534 HydrophobicContact CB-CE2 4.49Å; Y465-F534 HydrophobicContact CD1-CE1 4.09Å; Y465-F534 HydrophobicContact CD1-CZ 4.03Å; Y465-F534 AromaticContact CE1-CE1 3.78Å; Y465-F534 HydrophobicContact CE1-CE1 3.78Å; Y465-F534 HydrophobicContact CE1-CE2 4.16Å; Y465-F534 AromaticContact CE1-CZ 3.36Å; Y465-F534 HydrophobicContact CE1-CZ 3.36Å; F469-F534 HydrophobicContact CB-CE1 4.2Å; F469-F534 HydrophobicContact CD1-CD1 4.14Å; F469-F534 HydrophobicContact CD1-CE1 4.29Å; F469-F534 AromaticContact CD2-CD1 3.51Å; F469-F534 HydrophobicContact CD2-CD1 3.51Å; F469-F534 AromaticContact CD2-CE1 3.5Å; F469-F534 HydrophobicContact CD2-CE1 3.5Å; F469-F534 VanDerWaalsContact CD2-CE1 3.5Å; F469-F534 HydrophobicContact CE1-CD1 4.02Å; F469-F534 AromaticContact CE2-CD1 3.39Å; F469-F534 HydrophobicContact CE2-CD1 3.39Å; F469-F534 AromaticContact CE2-CE1 3.9Å; F469-F534 HydrophobicContact CE2-CE1 3.9Å; F469-F534 HydrophobicContact CE2-CG 4.44Å; F469-F534 AromaticContact CG-CD1 3.9Å; F469-F534 HydrophobicContact CG-CD1 3.9Å; F469-F534 AromaticContact CG-CE1 3.73Å; F469-F534 HydrophobicContact CG-CE1 3.73Å; F469-F534 AromaticContact CZ-CD1 3.66Å; F469-F534 HydrophobicContact CZ-CD1 3.66Å; F469-F534 HydrophobicContact CZ-CE1 4.45Å; F472-F534 HydrophobicContact CD1-CE1 4.49Å; F472-F534 AromaticContact CD1-CZ 3.88Å; F472-F534 HydrophobicContact CD1-CZ 3.88Å; F472-F534 HydrophobicContact CD2-CZ 4.28Å; F472-F534 AromaticContact CE1-CZ 3.88Å; F472-F534 HydrophobicContact CE1-CZ 3.88Å; F472-F534 HydrophobicContact CE2-CZ 4.28Å; F472-F534 HydrophobicContact CG-CE1 4.44Å; F472-F534 HydrophobicContact CG-CZ 4.1Å; F472-F534 HydrophobicContact CZ-CZ 4.11Å; F534-K536 VanDerWaalsContact C-N 3.27Å; F534-K536 PolarHBondContact O-N 2.99Å; F534-T537 WeakPolarHBondContact O-CB 3.39Å; F534-T537 PolarHBondContact O-N 3.42Å; F534-T537 VanDerWaalsContact O-N 3.16Å; F534-V538 HydrophobicContact CD1-CG2 3.79Å; F534-V538 HydrophobicContact CE1-CG2 3.51Å; F534-V538 HydrophobicContact CZ-CG2 4.07Å; F534-V538 WeakPolarHBondContact O-CG2 3.11Å; F534-V538 PolarHBondContact O-N 2.87Å
535	Y	94.2	Very high	93.1	Very high	38 Å²	38	29.7 Å²	29.7	15%	0.149	14%	0.139	C	C	.	.	H	α-helix	trans	-62.2	-33.6	175.7	63.4	-99.3	0	0	0	112.8	P533 G539 E594 I597	P533-Y535 VanDerWaalsContact C-N 3.34Å; P533-Y535 HydrophobicContact CB-CD1 3.74Å; P533-Y535 HydrophobicContact CB-CE1 3.27Å; P533-Y535 HydrophobicContact CB-CE2 4.34Å; P533-Y535 HydrophobicContact CB-CG 4.44Å; P533-Y535 HydrophobicContact CG-CE1 3.96Å; P533-Y535 PolarHBondContact O-N 3Å; Y535-G539 PolarHBondContact O-N 3.29Å; Y535-E594 HydrophobicContact CD1-CG 3.92Å; Y535-E594 HydrophobicContact CD2-CG 3.92Å; Y535-E594 HydrophobicContact CE1-CB 4.14Å; Y535-E594 HydrophobicContact CE1-CG 3.93Å; Y535-E594 HydrophobicContact CE2-CB 4.18Å; Y535-E594 HydrophobicContact CE2-CG 3.95Å; Y535-E594 HydrophobicContact CG-CG 3.93Å; Y535-I597 HydrophobicContact CE2-CD1 4.32Å; Y535-I597 HydrophobicContact CE2-CG2 4.44Å
536	K	95	Very high	93.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-69	-43.4	175.9	-179.6	179.1	170.8	-175.6	0	109.5	Y528 D529 P533 F534 G539 M540 K585 K587 Y601	Y528-K536 PolarHBondContact O-NZ 2.94Å; D529-K536 IonicContact OD1-NZ 2.68Å; P533-K536 WeakPolarHBondContact O-CB 3.33Å; P533-K536 PolarHBondContact O-N 2.8Å; F534-K536 VanDerWaalsContact C-N 3.27Å; F534-K536 PolarHBondContact O-N 2.99Å; K536-G539 PolarHBondContact O-N 2.65Å; K536-M540 HydrophobicContact CG-CG 4.47Å; K536-M540 HydrophobicContact CG-SD 4.21Å; K536-M540 WeakPolarHBondContact O-CB 3.48Å; K536-M540 VanDerWaalsContact O-CG 3.24Å; K536-M540 WeakPolarHBondContact O-CG 3.45Å; K536-M540 PolarHBondContact O-N 3.26Å; K536-K585 PolarHBondContact NZ-O 2.77Å; K536-K587 PolarHBondContact NZ-O 3.45Å; K536-Y601 HydrophobicContact CG-CE2 4.38Å
537	T	95.9	Very high	94	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-58.6	-49.1	175.1	-53.3	0	0	0	0	111.9	R232 A236 F519 C532 P533 F534 L541	R232-T537 HydrophobicContact CB-CG2 4.28Å; R232-T537 HydrophobicContact CG-CG2 4.17Å; A236-T537 HydrophobicContact CB-CG2 3.98Å; F519-T537 HydrophobicContact CE2-CG2 3.79Å; F519-T537 WeakPolarHBondContact CE2-O 3.26Å; F519-T537 HydrophobicContact CZ-CG2 3.62Å; C532-T537 PolarHBondContact SG-OG1 3.41Å; P533-T537 PolarHBondContact O-N 3.23Å; P533-T537 VanDerWaalsContact O-N 3.16Å; P533-T537 PolarHBondContact O-OG1 3.22Å; F534-T537 WeakPolarHBondContact O-CB 3.39Å; F534-T537 PolarHBondContact O-N 3.42Å; F534-T537 VanDerWaalsContact O-N 3.16Å; T537-L541 WeakPolarHBondContact O-CB 3.42Å; T537-L541 PolarHBondContact O-N 3.31Å; T537-L541 VanDerWaalsContact O-N 3.1Å
538	V	96.1	Very high	94.4	Very high	2 Å²	2	17 Å²	17	1%	0.012	8%	0.08	C	C	.	.	H	α-helix	trans	-63.4	-47.7	178.8	177.3	0	0	0	0	111	F469 E471 F472 F534 M540 L541 S542	F469-V538 HydrophobicContact CD1-CG2 4Å; F469-V538 HydrophobicContact CG-CG2 4.34Å; E471-V538 HydrophobicContact CG-CG1 4.03Å; F472-V538 HydrophobicContact CB-CG2 4.23Å; F472-V538 HydrophobicContact CD2-CG2 3.8Å; F472-V538 HydrophobicContact CG-CG2 4.19Å; F534-V538 HydrophobicContact CD1-CG2 3.79Å; F534-V538 HydrophobicContact CE1-CG2 3.51Å; F534-V538 HydrophobicContact CZ-CG2 4.07Å; F534-V538 WeakPolarHBondContact O-CG2 3.11Å; F534-V538 PolarHBondContact O-N 2.87Å; V538-M540 PolarHBondContact O-N 3.11Å; V538-L541 PolarHBondContact O-N 2.97Å; V538-S542 WeakPolarHBondContact O-CB 3.22Å; V538-S542 PolarHBondContact O-N 2.88Å; V538-S542 PolarHBondContact O-OG 2.78Å
539	G	95	Very high	94.8	Very high	11 Å²	11	18 Å²	18	11%	0.113	9%	0.089	C	C	.	.	H	α-helix	trans	-60.4	-45.4	179.8	0	0	0	0	0	113.2	Y535 K536 L541 S542 N543	Y535-G539 PolarHBondContact O-N 3.29Å; K536-G539 PolarHBondContact O-N 2.65Å; G539-L541 PolarHBondContact O-N 3.39Å; G539-S542 WeakPolarHBondContact CA-OG 3.39Å; G539-S542 PolarHBondContact O-N 2.97Å; G539-S542 PolarHBondContact O-OG 2.73Å; G539-N543 PolarHBondContact O-N 2.75Å
540	M	95.3	Very high	95	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-59.9	-45.8	175.5	-72.8	-175.2	66.9	0	0	112.2	F519 K536 V538 M544 M584 K585 Y601	F519-M540 HydrophobicContact CD2-CB 4.19Å; F519-M540 HydrophobicContact CE2-CB 4.41Å; K536-M540 HydrophobicContact CG-CG 4.47Å; K536-M540 HydrophobicContact CG-SD 4.21Å; K536-M540 WeakPolarHBondContact O-CB 3.48Å; K536-M540 VanDerWaalsContact O-CG 3.24Å; K536-M540 WeakPolarHBondContact O-CG 3.45Å; K536-M540 PolarHBondContact O-N 3.26Å; V538-M540 PolarHBondContact O-N 3.11Å; M540-M544 HydrophobicContact CE-CE 4.2Å; M540-M544 WeakPolarHBondContact O-CG 3.49Å; M540-M544 PolarHBondContact O-N 3.44Å; M540-M584 HydrophobicContact CB-CE 4.37Å; M540-M584 HydrophobicContact CE-CB 4.04Å; M540-M584 HydrophobicContact CG-CB 3.97Å; M540-M584 HydrophobicContact CG-SD 4.48Å; M540-M584 HydrophobicContact SD-CB 4.44Å; M540-K585 HydrophobicContact CE-CB 3.97Å; M540-Y601 HydrophobicContact CG-CE2 4.18Å
541	L	96.4	Very high	95.2	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-67.1	-40.3	-178.9	-167	62.3	0	0	0	111.3	F472 L475 A479 F519 T537 V538 G539 N543 M544 I545	F472-L541 HydrophobicContact CE2-CD2 4.17Å; L475-L541 HydrophobicContact CB-CD2 3.88Å; L475-L541 HydrophobicContact CB-CG 4.16Å; A479-L541 HydrophobicContact CB-CD1 4Å; A479-L541 HydrophobicContact CB-CD2 4.49Å; F519-L541 HydrophobicContact CD1-CD1 4.35Å; F519-L541 HydrophobicContact CD2-CB 4.5Å; F519-L541 HydrophobicContact CD2-CD1 4.4Å; F519-L541 HydrophobicContact CE1-CD1 4.14Å; F519-L541 HydrophobicContact CE2-CB 3.85Å; F519-L541 HydrophobicContact CE2-CD1 4.2Å; F519-L541 HydrophobicContact CE2-CG 4.5Å; F519-L541 HydrophobicContact CG-CD1 4.48Å; F519-L541 HydrophobicContact CZ-CB 4.14Å; F519-L541 HydrophobicContact CZ-CD1 4.06Å; F519-L541 HydrophobicContact CZ-CD2 4.25Å; F519-L541 HydrophobicContact CZ-CG 4.39Å; T537-L541 WeakPolarHBondContact O-CB 3.42Å; T537-L541 PolarHBondContact O-N 3.31Å; T537-L541 VanDerWaalsContact O-N 3.1Å; V538-L541 PolarHBondContact O-N 2.97Å; G539-L541 PolarHBondContact O-N 3.39Å; L541-N543 VanDerWaalsContact C-N 3.35Å; L541-N543 PolarHBondContact O-N 3.1Å; L541-M544 PolarHBondContact O-N 3.46Å; L541-I545 HydrophobicContact CD1-CG1 4.33Å; L541-I545 HydrophobicContact CG-CG1 4.29Å; L541-I545 VanDerWaalsContact O-CG1 3.31Å; L541-I545 WeakPolarHBondContact O-CG1 3.2Å; L541-I545 PolarHBondContact O-N 3.17Å
542	S	96.6	Very high	95.4	Very high	26 Å²	26	15.4 Å²	15.4	18%	0.182	8%	0.08	C	C	.	.	H	α-helix	trans	-57.6	-45.7	177.9	71.1	0	0	0	0	112.2	V538 G539 I545 A546	V538-S542 WeakPolarHBondContact O-CB 3.22Å; V538-S542 PolarHBondContact O-N 2.88Å; V538-S542 PolarHBondContact O-OG 2.78Å; G539-S542 WeakPolarHBondContact CA-OG 3.39Å; G539-S542 PolarHBondContact O-N 2.97Å; G539-S542 PolarHBondContact O-OG 2.73Å; S542-I545 PolarHBondContact O-N 3.02Å; S542-A546 WeakPolarHBondContact O-CB 3.47Å; S542-A546 PolarHBondContact O-N 3.14Å
543	N	96.5	Very high	95.3	Very high	3 Å²	3	24 Å²	24	2%	0.016	11%	0.112	C	C	.	.	H	α-helix	trans	-68.2	-38.4	179.5	-77.1	-11.4	0	0	0	112.8	G539 L541 F547 L581 M584 Y601	G539-N543 PolarHBondContact O-N 2.75Å; L541-N543 VanDerWaalsContact C-N 3.35Å; L541-N543 PolarHBondContact O-N 3.1Å; N543-F547 WeakPolarHBondContact O-CB 3.41Å; N543-F547 PolarHBondContact O-N 2.92Å; N543-L581 HydrophobicContact CB-CD2 3.91Å; N543-M584 HydrophobicContact CB-CE 4.12Å; N543-M584 HydrophobicContact CB-SD 3.88Å; N543-Y601 PolarHBondContact ND2-O 3.22Å; N543-Y601 VanDerWaalsContact ND2-O 3.15Å
544	M	96.4	Very high	95.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-67.6	-41.6	177	-68.2	-179.9	-176.1	0	0	112.4	L514 I515 D518 F519 M540 L541 F547 Y548 M584	L514-M544 HydrophobicContact CD2-CG 4.2Å; I515-M544 HydrophobicContact CG1-SD 4.15Å; D518-M544 HydrophobicContact CB-CE 3.74Å; F519-M544 HydrophobicContact CB-CE 4.08Å; F519-M544 HydrophobicContact CB-SD 3.87Å; M540-M544 HydrophobicContact CE-CE 4.2Å; M540-M544 WeakPolarHBondContact O-CG 3.49Å; M540-M544 PolarHBondContact O-N 3.44Å; L541-M544 PolarHBondContact O-N 3.46Å; M544-F547 PolarHBondContact O-N 3.05Å; M544-Y548 PolarHBondContact O-N 2.8Å; M544-Y548 VanDerWaalsContact O-N 3.12Å; M544-M584 HydrophobicContact CE-CE 3.82Å; M544-M584 HydrophobicContact CG-CE 3.98Å
545	I	96.7	Very high	95.1	Very high	4 Å²	4	22.8 Å²	22.8	2%	0.021	11%	0.106	C	C	.	.	H	α-helix	trans	-71.3	-39.2	177.4	-60.3	-59.7	0	0	0	110.8	L475 K478 A479 I482 L541 S542 F547 Y548 D549	L475-I545 HydrophobicContact CD2-CB 3.72Å; L475-I545 HydrophobicContact CD2-CG1 3.94Å; L475-I545 HydrophobicContact CD2-CG2 3.91Å; K478-I545 HydrophobicContact CB-CD1 4.22Å; K478-I545 HydrophobicContact CB-CG2 4.14Å; A479-I545 HydrophobicContact CB-CD1 4.25Å; I482-I545 HydrophobicContact CD1-CD1 3.71Å; L541-I545 HydrophobicContact CD1-CG1 4.33Å; L541-I545 HydrophobicContact CG-CG1 4.29Å; L541-I545 VanDerWaalsContact O-CG1 3.31Å; L541-I545 WeakPolarHBondContact O-CG1 3.2Å; L541-I545 PolarHBondContact O-N 3.17Å; S542-I545 PolarHBondContact O-N 3.02Å; I545-F547 VanDerWaalsContact C-N 3.31Å; I545-F547 PolarHBondContact O-N 3.42Å; I545-Y548 WeakPolarHBondContact O-CB 3.31Å; I545-Y548 PolarHBondContact O-N 3.08Å; I545-Y548 VanDerWaalsContact O-N 3.13Å; I545-D549 PolarHBondContact O-N 3.04Å
546	A	96.1	Very high	94.8	Very high	15 Å²	15	26 Å²	26	12%	0.124	12%	0.122	C	C	.	.	H	α-helix	trans	-59.7	-42.1	173.8	0	0	0	0	0	112.3	S542 Y548 D549 M550 F605 M608	S542-A546 WeakPolarHBondContact O-CB 3.47Å; S542-A546 PolarHBondContact O-N 3.14Å; A546-Y548 VanDerWaalsContact C-N 3.33Å; A546-Y548 PolarHBondContact O-N 3.47Å; A546-D549 PolarHBondContact O-N 3.44Å; A546-M550 HydrophobicContact CB-CE 4.1Å; A546-M550 WeakPolarHBondContact O-CB 3.38Å; A546-M550 VanDerWaalsContact O-CE 3.25Å; A546-M550 WeakPolarHBondContact O-CE 3.47Å; A546-M550 WeakPolarHBondContact O-CG 3.21Å; A546-M550 PolarHBondContact O-N 2.9Å; A546-F605 HydrophobicContact CB-CD2 3.87Å; A546-F605 HydrophobicContact CB-CE2 3.51Å; A546-M608 HydrophobicContact CB-CE 3.94Å
547	F	96.3	Very high	94.5	Very high	1 Å²	1	30.2 Å²	30.2	0%	0.004	15%	0.148	C	C	.	.	H	α-helix	trans	-59.7	-44.3	173.5	-179.6	-98.4	0	0	0	111.7	V511 N543 M544 I545 A551 W567 I570 M574 L578 L581 M608 F612	V511-F547 HydrophobicContact CG2-CD1 4.02Å; V511-F547 HydrophobicContact CG2-CE1 4.14Å; N543-F547 WeakPolarHBondContact O-CB 3.41Å; N543-F547 PolarHBondContact O-N 2.92Å; M544-F547 PolarHBondContact O-N 3.05Å; I545-F547 VanDerWaalsContact C-N 3.31Å; I545-F547 PolarHBondContact O-N 3.42Å; F547-A551 VanDerWaalsContact O-CB 3.25Å; F547-A551 WeakPolarHBondContact O-CB 3.37Å; F547-A551 PolarHBondContact O-N 3.25Å; F547-W567 HydrophobicContact CE1-CH2 4.3Å; F547-W567 HydrophobicContact CE1-CZ3 4.15Å; F547-W567 HydrophobicContact CZ-CH2 4.37Å; F547-W567 HydrophobicContact CZ-CZ3 4.13Å; F547-I570 HydrophobicContact CZ-CG2 4.28Å; F547-M574 HydrophobicContact CE2-SD 4.02Å; F547-L578 HydrophobicContact CE1-CD2 3.89Å; F547-L578 HydrophobicContact CE2-CD2 4.12Å; F547-L578 HydrophobicContact CZ-CD2 3.58Å; F547-L578 HydrophobicContact CZ-CG 4.39Å; F547-L581 HydrophobicContact CB-CD1 4.06Å; F547-L581 HydrophobicContact CD1-CD1 4.45Å; F547-L581 HydrophobicContact CD2-CD1 3.92Å; F547-L581 HydrophobicContact CG-CD1 3.87Å; F547-M608 VanDerWaalsContact CA-SD 3.59Å; F547-M608 HydrophobicContact CB-SD 3.53Å; F547-M608 VanDerWaalsContact CB-SD 3.53Å; F547-M608 HydrophobicContact CD2-CG 4.41Å; F547-M608 HydrophobicContact CD2-SD 3.72Å; F547-M608 HydrophobicContact CG-SD 4.12Å; F547-F612 AromaticContact CD2-CE2 3.77Å; F547-F612 HydrophobicContact CD2-CE2 3.77Å; F547-F612 AromaticContact CD2-CZ 3.86Å; F547-F612 HydrophobicContact CD2-CZ 3.86Å; F547-F612 AromaticContact CE2-CE2 3.97Å; F547-F612 HydrophobicContact CE2-CE2 3.97Å; F547-F612 AromaticContact CE2-CZ 3.7Å; F547-F612 HydrophobicContact CE2-CZ 3.7Å; F547-F612 HydrophobicContact CZ-CZ 4.43Å
548	Y	96.6	Very high	94	Very high	3 Å²	3	31.2 Å²	31.2	1%	0.012	15%	0.154	C	C	.	.	H	α-helix	trans	-59.6	-51.1	177.1	176.3	-100.6	0	0	0	112.4	I482 I507 V511 M544 I545 A546 M550 A551 R552	I482-Y548 HydrophobicContact CD1-CD1 3.68Å; I482-Y548 HydrophobicContact CD1-CD2 3.95Å; I482-Y548 HydrophobicContact CD1-CE1 3.9Å; I482-Y548 HydrophobicContact CD1-CE2 4.16Å; I482-Y548 HydrophobicContact CD1-CG 3.71Å; I482-Y548 HydrophobicContact CG1-CD1 4.34Å; I482-Y548 HydrophobicContact CG1-CD2 4.37Å; I482-Y548 HydrophobicContact CG1-CE1 4.05Å; I482-Y548 HydrophobicContact CG1-CE2 4.08Å; I482-Y548 HydrophobicContact CG1-CG 4.49Å; I507-Y548 HydrophobicContact CG2-CD2 4.15Å; I507-Y548 HydrophobicContact CG2-CE2 4.37Å; V511-Y548 HydrophobicContact CB-CD2 4.02Å; V511-Y548 HydrophobicContact CG1-CD2 4.03Å; V511-Y548 HydrophobicContact CG1-CG 4.37Å; V511-Y548 HydrophobicContact CG2-CD2 3.98Å; M544-Y548 PolarHBondContact O-N 2.8Å; M544-Y548 VanDerWaalsContact O-N 3.12Å; I545-Y548 WeakPolarHBondContact O-CB 3.31Å; I545-Y548 PolarHBondContact O-N 3.08Å; I545-Y548 VanDerWaalsContact O-N 3.13Å; A546-Y548 VanDerWaalsContact C-N 3.33Å; A546-Y548 PolarHBondContact O-N 3.47Å; Y548-M550 VanDerWaalsContact C-N 3.34Å; Y548-M550 PolarHBondContact O-N 3.35Å; Y548-A551 PolarHBondContact O-N 2.71Å; Y548-R552 VanDerWaalsContact O-CB 3.28Å; Y548-R552 WeakPolarHBondContact O-CB 3.21Å; Y548-R552 PolarHBondContact O-N 2.64Å; Y548-R552 PolarHBondContact OH-NH1 2.82Å
549	D	95.9	Very high	93.3	Very high	75 Å²	75	33.2 Å²	33.2	40%	0.401	17%	0.171	S	C	.	.	H	α-helix	trans	-64.3	-39.7	-177.7	-71	-25.8	0	0	0	111.3	I545 A546 R553	I545-D549 PolarHBondContact O-N 3.04Å; A546-D549 PolarHBondContact O-N 3.44Å; D549-R553 VanDerWaalsContact O-CB 3.24Å; D549-R553 WeakPolarHBondContact O-CB 3.39Å; D549-R553 PolarHBondContact O-N 2.63Å
550	M	94.3	Very high	92.4	Very high	38 Å²	38	41.7 Å²	41.7	19%	0.187	21%	0.208	C	C	.	.	H	α-helix	trans	-68.5	-45	176.3	-73.1	-172.8	-79.2	0	0	112.6	A546 Y548 R552 R553 A554 M608 Q609 F612	A546-M550 HydrophobicContact CB-CE 4.1Å; A546-M550 WeakPolarHBondContact O-CB 3.38Å; A546-M550 VanDerWaalsContact O-CE 3.25Å; A546-M550 WeakPolarHBondContact O-CE 3.47Å; A546-M550 WeakPolarHBondContact O-CG 3.21Å; A546-M550 PolarHBondContact O-N 2.9Å; Y548-M550 VanDerWaalsContact C-N 3.34Å; Y548-M550 PolarHBondContact O-N 3.35Å; M550-R552 VanDerWaalsContact C-N 3.34Å; M550-R552 PolarHBondContact O-N 3.15Å; M550-R553 PolarHBondContact O-N 3.35Å; M550-A554 WeakPolarHBondContact O-CB 3.27Å; M550-A554 PolarHBondContact O-N 3.1Å; M550-M608 HydrophobicContact CE-CB 4.48Å; M550-M608 HydrophobicContact CE-CE 3.46Å; M550-M608 VanDerWaalsContact CE-CE 3.46Å; M550-M608 HydrophobicContact CE-CG 3.57Å; M550-M608 HydrophobicContact CE-SD 3.52Å; M550-M608 VanDerWaalsContact CE-SD 3.52Å; M550-Q609 HydrophobicContact CE-CG 4.37Å; M550-Q609 HydrophobicContact SD-CG 3.9Å; M550-F612 HydrophobicContact CB-CD1 4.26Å; M550-F612 HydrophobicContact CB-CD2 3.69Å; M550-F612 HydrophobicContact CB-CE1 4.25Å; M550-F612 HydrophobicContact CB-CE2 3.67Å; M550-F612 HydrophobicContact CB-CG 4.01Å; M550-F612 HydrophobicContact CB-CZ 3.97Å; M550-F612 HydrophobicContact CE-CD2 4.17Å; M550-F612 HydrophobicContact CE-CE2 4.3Å; M550-F612 HydrophobicContact CG-CD2 4.35Å; M550-F612 HydrophobicContact SD-CD2 3.81Å; M550-F612 HydrophobicContact SD-CE2 4.4Å; M550-F612 HydrophobicContact SD-CG 4.43Å
551	A	94.1	Very high	91.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.3	-43	177.3	0	0	0	0	0	111.7	I507 F547 Y548 A554 V555 I570 F612	I507-A551 HydrophobicContact CD1-CB 4.29Å; I507-A551 HydrophobicContact CG2-CB 4.06Å; F547-A551 VanDerWaalsContact O-CB 3.25Å; F547-A551 WeakPolarHBondContact O-CB 3.37Å; F547-A551 PolarHBondContact O-N 3.25Å; Y548-A551 PolarHBondContact O-N 2.71Å; A551-A554 PolarHBondContact O-N 3.4Å; A551-V555 WeakPolarHBondContact O-CG2 3.45Å; A551-V555 PolarHBondContact O-N 2.82Å; A551-I570 HydrophobicContact CB-CD1 4.4Å; A551-F612 HydrophobicContact CB-CE1 4.18Å; A551-F612 HydrophobicContact CB-CZ 4.04Å
552	R	93.8	Very high	90.4	Very high	78 Å²	78	52.7 Å²	52.7	29%	0.294	27%	0.271	S	S	.	.	H	α-helix	trans	-63.7	-45.9	176.8	-173.7	173.8	176.7	166.7	0.1	111.1	Y548 M550 A554 V555 E556	Y548-R552 VanDerWaalsContact O-CB 3.28Å; Y548-R552 WeakPolarHBondContact O-CB 3.21Å; Y548-R552 PolarHBondContact O-N 2.64Å; Y548-R552 PolarHBondContact OH-NH1 2.82Å; M550-R552 VanDerWaalsContact C-N 3.34Å; M550-R552 PolarHBondContact O-N 3.15Å; R552-A554 PolarHBondContact O-N 3.34Å; R552-V555 PolarHBondContact O-N 3.32Å; R552-E556 HydrophobicContact CG-CG 4.39Å; R552-E556 WeakPolarHBondContact CG-OE1 3.27Å; R552-E556 IonicContact CZ-OE1 3.5Å; R552-E556 IonicContact NE-OE1 2.67Å; R552-E556 PolarHBondContact NE-OE1 3.47Å; R552-E556 IonicContact NH2-OE1 3.47Å; R552-E556 WeakPolarHBondContact O-CB 3.37Å; R552-E556 WeakPolarHBondContact O-CG 3.23Å; R552-E556 PolarHBondContact O-N 2.79Å
553	R	92.7	Very high	89.6	Confident	180 Å²	180	58.2 Å²	58.2	68%	0.679	30%	0.299	S	S	*	.	H	α-helix	trans	-59.2	-47.2	177.4	-175	176.1	178.1	175.8	-1.6	111.9	D549 M550 V555 E556 T557	D549-R553 VanDerWaalsContact O-CB 3.24Å; D549-R553 WeakPolarHBondContact O-CB 3.39Å; D549-R553 PolarHBondContact O-N 2.63Å; M550-R553 PolarHBondContact O-N 3.35Å; R553-V555 VanDerWaalsContact C-N 3.31Å; R553-V555 PolarHBondContact O-N 2.89Å; R553-E556 PolarHBondContact O-N 3.5Å; R553-T557 HydrophobicContact CG-CG2 4.45Å; R553-T557 PolarHBondContact O-N 3.18Å; R553-T557 PolarHBondContact O-OG1 2.98Å
554	A	91.1	Very high	89	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-61.3	-37.8	-179.3	0	0	0	0	0	112.8	M550 A551 R552 T557 T558 I565 F612	M550-A554 WeakPolarHBondContact O-CB 3.27Å; M550-A554 PolarHBondContact O-N 3.1Å; A551-A554 PolarHBondContact O-N 3.4Å; R552-A554 PolarHBondContact O-N 3.34Å; A554-T557 PolarHBondContact O-OG1 3.04Å; A554-T558 WeakPolarHBondContact O-CG2 3.32Å; A554-T558 PolarHBondContact O-N 3.47Å; A554-T558 PolarHBondContact O-OG1 3.28Å; A554-I565 HydrophobicContact CB-CD1 4.46Å; A554-F612 HydrophobicContact CB-CD1 4.46Å
555	V	91.2	Very high	88.6	Confident	5 Å²	5	63.3 Å²	63.3	3%	0.03	32%	0.321	C	S	.	.	H	α-helix	trans	-75.2	-37.6	176.9	172.8	0	0	0	0	112.2	E503 I507 A551 R552 R553 A559 I570	E503-V555 HydrophobicContact CB-CG1 3.71Å; I507-V555 HydrophobicContact CD1-CB 4.08Å; I507-V555 HydrophobicContact CD1-CG2 3.53Å; A551-V555 WeakPolarHBondContact O-CG2 3.45Å; A551-V555 PolarHBondContact O-N 2.82Å; R552-V555 PolarHBondContact O-N 3.32Å; R553-V555 VanDerWaalsContact C-N 3.31Å; R553-V555 PolarHBondContact O-N 2.89Å; V555-A559 PolarHBondContact O-N 2.9Å; V555-I570 HydrophobicContact CG2-CD1 3.91Å
556	E	89.8	Confident	88.3	Confident	104 Å²	104	65 Å²	65	49%	0.486	33%	0.332	S	S	.	.	H	α-helix	trans	-71	-40.2	179.3	-74.9	179.8	-174.2	0	0	112.3	T504 R552 R553 A559	T504-E556 HydrophobicContact CG2-CG 4.35Å; R552-E556 HydrophobicContact CG-CG 4.39Å; R552-E556 WeakPolarHBondContact CG-OE1 3.27Å; R552-E556 IonicContact CZ-OE1 3.5Å; R552-E556 IonicContact NE-OE1 2.67Å; R552-E556 PolarHBondContact NE-OE1 3.47Å; R552-E556 IonicContact NH2-OE1 3.47Å; R552-E556 WeakPolarHBondContact O-CB 3.37Å; R552-E556 WeakPolarHBondContact O-CG 3.23Å; R552-E556 PolarHBondContact O-N 2.79Å; R553-E556 PolarHBondContact O-N 3.5Å; E556-A559 WeakPolarHBondContact O-CB 3.48Å; E556-A559 PolarHBondContact O-N 2.8Å
557	T	88	Confident	88	Confident	89 Å²	89	65.2 Å²	65.2	55%	0.546	33%	0.329	S	S	.	.	H	α-helix	trans	-67.8	-38.6	177.7	41.7	0	0	0	0	112.5	R553 A554 A559	R553-T557 HydrophobicContact CG-CG2 4.45Å; R553-T557 PolarHBondContact O-N 3.18Å; R553-T557 PolarHBondContact O-OG1 2.98Å; A554-T557 PolarHBondContact O-OG1 3.04Å; T557-A559 VanDerWaalsContact C-N 3.3Å; T557-A559 PolarHBondContact O-N 2.64Å
558	T	85.9	Confident	87.8	Confident	21 Å²	21	68.1 Å²	68.1	13%	0.129	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-88.6	6.7	-179.5	63.1	0	0	0	0	113.7	A554 Q560 S561 I565	A554-T558 WeakPolarHBondContact O-CG2 3.32Å; A554-T558 PolarHBondContact O-N 3.47Å; A554-T558 PolarHBondContact O-OG1 3.28Å; T558-Q560 VanDerWaalsContact C-N 3.26Å; T558-Q560 PolarHBondContact O-N 3.06Å; T558-S561 VanDerWaalsContact CA-OG 3.29Å; T558-S561 WeakPolarHBondContact CA-OG 3.31Å; T558-S561 WeakPolarHBondContact CB-OG 3.35Å; T558-S561 PolarHBondContact O-N 3.1Å; T558-S561 PolarHBondContact O-OG 3.39Å; T558-I565 HydrophobicContact CG2-CD1 3.74Å; T558-I565 HydrophobicContact CG2-CG1 3.97Å; T558-I565 WeakPolarHBondContact OG1-CB 3.33Å; T558-I565 PolarHBondContact OG1-N 3.39Å; T558-I565 VanDerWaalsContact OG1-N 3.16Å
559	A	80	Confident	87.5	Confident	45 Å²	45	71.1 Å²	71.1	37%	0.372	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-63.2	-28.8	-176.4	0	0	0	0	0	114	V555 E556 T557	V555-A559 PolarHBondContact O-N 2.9Å; E556-A559 WeakPolarHBondContact O-CB 3.48Å; E556-A559 PolarHBondContact O-N 2.8Å; T557-A559 VanDerWaalsContact C-N 3.3Å; T557-A559 PolarHBondContact O-N 2.64Å
560	Q	77.4	Confident	87.3	Confident	189 Å²	189	67.5 Å²	67.5	88%	0.883	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-106.3	-3.9	-178	-61.1	-64.8	-35.2	0	0	113.5	T558	T558-Q560 VanDerWaalsContact C-N 3.26Å; T558-Q560 PolarHBondContact O-N 3.06Å
561	S	79.3	Confident	87.2	Confident	56 Å²	56	71.8 Å²	71.8	39%	0.392	36%	0.36	S	S	.	.	S	Bend	trans	-87.5	153.5	177.1	54	0	0	0	0	111.6	T558 N563	T558-S561 VanDerWaalsContact CA-OG 3.29Å; T558-S561 WeakPolarHBondContact CA-OG 3.31Å; T558-S561 WeakPolarHBondContact CB-OG 3.35Å; T558-S561 PolarHBondContact O-N 3.1Å; T558-S561 PolarHBondContact O-OG 3.39Å; S561-N563 PolarHBondContact O-N 3.18Å
562	D	70.9	Confident	87.1	Confident	174 Å²	174	78.1 Å²	78.1	93%	0.93	39%	0.389	S	S	*	.	S	Bend	trans	-60	-31	179.6	-69.4	-34.2	0	0	0	113	K564	D562-K564 PolarHBondContact O-N 2.95Å
563	N	78.8	Confident	86.9	Confident	143 Å²	143	79.6 Å²	79.6	77%	0.765	40%	0.403	S	S	*	.	S	Bend	trans	-97.2	68.2	175.3	-72.6	-12.3	0	0	0	111.3	S561 I565	S561-N563 PolarHBondContact O-N 3.18Å; N563-I565 PolarHBondContact O-N 3.44Å
564	K	84.1	Confident	86.9	Confident	97 Å²	97	71.1 Å²	71.1	42%	0.422	37%	0.372	S	S	.	.			trans	-62.9	122	177.1	-177.5	179.9	178.7	-177.5	0	111.1	D562 T566	D562-K564 PolarHBondContact O-N 2.95Å; K564-T566 PolarHBondContact O-N 2.97Å
565	I	87.8	Confident	86.8	Confident	13 Å²	13	74.7 Å²	74.7	7%	0.067	40%	0.397	C	S	.	.			trans	-72.3	123.1	171.1	-59	174.8	0	0	0	107.8	A554 T558 N563 I570 L615 E616	A554-I565 HydrophobicContact CB-CD1 4.46Å; T558-I565 HydrophobicContact CG2-CD1 3.74Å; T558-I565 HydrophobicContact CG2-CG1 3.97Å; T558-I565 WeakPolarHBondContact OG1-CB 3.33Å; T558-I565 PolarHBondContact OG1-N 3.39Å; T558-I565 VanDerWaalsContact OG1-N 3.16Å; N563-I565 PolarHBondContact O-N 3.44Å; I565-I570 HydrophobicContact CG2-CD1 3.93Å; I565-I570 HydrophobicContact CG2-CG1 3.69Å; I565-L615 HydrophobicContact CD1-CG 4.46Å; I565-L615 HydrophobicContact CG2-CD2 4.13Å; I565-E616 HydrophobicContact CD1-CG 4.44Å
566	T	90.2	Very high	86.9	Confident	40 Å²	40	81.3 Å²	81.3	25%	0.245	43%	0.427	C	S	.	.			trans	-106.9	160.1	174.7	59.7	0	0	0	0	110	E503 K564 S568 I569 I570	E503-T566 HydrophobicContact CG-CG2 4.42Å; K564-T566 PolarHBondContact O-N 2.97Å; T566-S568 PolarHBondContact O-N 3.19Å; T566-I569 PolarHBondContact O-N 2.98Å; T566-I569 VanDerWaalsContact O-N 3.08Å; T566-I570 PolarHBondContact O-N 3.03Å
567	W	90.6	Very high	87.1	Confident	19 Å²	19	77.1 Å²	77.1	7%	0.072	41%	0.408	C	S	.	.	H	α-helix	trans	-55.6	-36.1	177.4	167.9	-111.3	0	0	0	112.7	E503 K506 I507 E510 F547 I569 I570 R571 L578	E503-W567 PolarHBondContact OE2-N 3.39Å; K506-W567 HydrophobicContact CB-CB 4.48Å; I507-W567 HydrophobicContact CG1-CB 4.47Å; I507-W567 HydrophobicContact CG1-CE3 3.9Å; E510-W567 HydrophobicContact CB-CH2 3.97Å; E510-W567 HydrophobicContact CB-CZ2 3.49Å; E510-W567 VanDerWaalsContact CB-CZ2 3.49Å; E510-W567 HydrophobicContact CG-CZ2 3.68Å; F547-W567 HydrophobicContact CE1-CH2 4.3Å; F547-W567 HydrophobicContact CE1-CZ3 4.15Å; F547-W567 HydrophobicContact CZ-CH2 4.37Å; F547-W567 HydrophobicContact CZ-CZ3 4.13Å; W567-I569 VanDerWaalsContact C-N 3.29Å; W567-I569 PolarHBondContact O-N 3.3Å; W567-I570 HydrophobicContact CE3-CB 4.22Å; W567-I570 HydrophobicContact CE3-CG2 4.21Å; W567-I570 HydrophobicContact CZ3-CG2 4.02Å; W567-I570 PolarHBondContact O-N 3.47Å; W567-R571 HydrophobicContact CZ2-CB 4.28Å; W567-R571 HydrophobicContact CZ2-CG 4.35Å; W567-R571 WeakPolarHBondContact O-CB 3.03Å; W567-R571 PolarHBondContact O-N 3.22Å; W567-L578 HydrophobicContact CH2-CD1 4.49Å
568	S	90.4	Very high	87.3	Confident	62 Å²	62	74.4 Å²	74.4	43%	0.434	39%	0.39	S	S	.	.	H	α-helix	trans	-58.3	-41.8	178.4	-59.4	0	0	0	0	112.3	T566 R571 E572	T566-S568 PolarHBondContact O-N 3.19Å; S568-R571 PolarHBondContact O-N 3.2Å; S568-E572 WeakPolarHBondContact O-CG 2.96Å; S568-E572 PolarHBondContact O-N 3.1Å; S568-E572 VanDerWaalsContact O-N 3.08Å
569	I	91.4	Very high	87.7	Confident	65 Å²	65	81.1 Å²	81.1	33%	0.333	41%	0.414	S	S	.	.	H	α-helix	trans	-67.9	-43.4	179.4	-60.2	171.3	0	0	0	110.1	T566 W567 R571 E572 N573 L615	T566-I569 PolarHBondContact O-N 2.98Å; T566-I569 VanDerWaalsContact O-N 3.08Å; W567-I569 VanDerWaalsContact C-N 3.29Å; W567-I569 PolarHBondContact O-N 3.3Å; I569-R571 VanDerWaalsContact C-N 3.33Å; I569-R571 PolarHBondContact O-N 3.28Å; I569-E572 PolarHBondContact O-N 3.04Å; I569-N573 WeakPolarHBondContact CG2-ND2 3.37Å; I569-N573 PolarHBondContact O-N 2.83Å; I569-N573 VanDerWaalsContact O-N 3.09Å; I569-N573 PolarHBondContact O-ND2 2.85Å; I569-L615 HydrophobicContact CG2-CD1 4.08Å
570	I	91.9	Very high	88.4	Confident	0 Å²	0	82.3 Å²	82.3	0%	0	41%	0.409	C	S	.	.	H	α-helix	trans	-59.3	-47.6	175.6	-64.6	170	0	0	0	109.8	F547 A551 V555 I565 T566 W567 E572 N573 M574 L615	F547-I570 HydrophobicContact CZ-CG2 4.28Å; A551-I570 HydrophobicContact CB-CD1 4.4Å; V555-I570 HydrophobicContact CG2-CD1 3.91Å; I565-I570 HydrophobicContact CG2-CD1 3.93Å; I565-I570 HydrophobicContact CG2-CG1 3.69Å; T566-I570 PolarHBondContact O-N 3.03Å; W567-I570 HydrophobicContact CE3-CB 4.22Å; W567-I570 HydrophobicContact CE3-CG2 4.21Å; W567-I570 HydrophobicContact CZ3-CG2 4.02Å; W567-I570 PolarHBondContact O-N 3.47Å; I570-E572 VanDerWaalsContact C-N 3.34Å; I570-E572 PolarHBondContact O-N 3.35Å; I570-N573 PolarHBondContact O-N 3.46Å; I570-M574 HydrophobicContact CG2-CG 4.36Å; I570-M574 HydrophobicContact CG2-SD 3.96Å; I570-M574 WeakPolarHBondContact O-CB 3.42Å; I570-M574 WeakPolarHBondContact O-CG 3.22Å; I570-M574 PolarHBondContact O-N 2.97Å; I570-L615 HydrophobicContact CG1-CD2 3.74Å
571	R	91.8	Very high	89.2	Confident	128 Å²	128	73.3 Å²	73.3	48%	0.483	37%	0.367	S	S	.	.	H	α-helix	trans	-62.1	-39.2	-177.5	-169.5	-175.3	72.5	172.1	1.7	113	W567 S568 I569 S575 L578	W567-R571 HydrophobicContact CZ2-CB 4.28Å; W567-R571 HydrophobicContact CZ2-CG 4.35Å; W567-R571 WeakPolarHBondContact O-CB 3.03Å; W567-R571 PolarHBondContact O-N 3.22Å; S568-R571 PolarHBondContact O-N 3.2Å; I569-R571 VanDerWaalsContact C-N 3.33Å; I569-R571 PolarHBondContact O-N 3.28Å; R571-S575 PolarHBondContact O-N 2.69Å; R571-L578 HydrophobicContact CG-CD1 4.23Å
572	E	91.6	Very high	89.9	Confident	132 Å²	132	72.9 Å²	72.9	62%	0.617	36%	0.362	S	S	*	.	H	α-helix	trans	-71.4	-48.2	179.8	-74.1	174.5	-172	0	0	111.5	S568 I569 I570 S575	S568-E572 WeakPolarHBondContact O-CG 2.96Å; S568-E572 PolarHBondContact O-N 3.1Å; S568-E572 VanDerWaalsContact O-N 3.08Å; I569-E572 PolarHBondContact O-N 3.04Å; I570-E572 VanDerWaalsContact C-N 3.34Å; I570-E572 PolarHBondContact O-N 3.35Å; E572-S575 PolarHBondContact O-OG 3.47Å
573	N	91.1	Very high	91	Very high	109 Å²	109	65.9 Å²	65.9	58%	0.583	33%	0.327	S	S	*	.	H	α-helix	trans	-72.8	-30.6	-178.3	-71.5	-71	0	0	0	113.3	I569 I570 L615	I569-N573 WeakPolarHBondContact CG2-ND2 3.37Å; I569-N573 PolarHBondContact O-N 2.83Å; I569-N573 VanDerWaalsContact O-N 3.09Å; I569-N573 PolarHBondContact O-ND2 2.85Å; I570-N573 PolarHBondContact O-N 3.46Å; N573-L615 HydrophobicContact CB-CD1 3.89Å
574	M	91	Very high	91.7	Very high	3 Å²	3	59.2 Å²	59.2	2%	0.015	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105	21.9	-176.5	-57.1	-165.6	172.7	0	0	113.8	F547 I570 E576 I577 L578 A611 F612 L615	F547-M574 HydrophobicContact CE2-SD 4.02Å; I570-M574 HydrophobicContact CG2-CG 4.36Å; I570-M574 HydrophobicContact CG2-SD 3.96Å; I570-M574 WeakPolarHBondContact O-CB 3.42Å; I570-M574 WeakPolarHBondContact O-CG 3.22Å; I570-M574 PolarHBondContact O-N 2.97Å; M574-E576 VanDerWaalsContact C-N 3.28Å; M574-E576 PolarHBondContact O-N 3.29Å; M574-I577 HydrophobicContact CB-CB 4.4Å; M574-I577 HydrophobicContact CB-CD1 4.3Å; M574-I577 HydrophobicContact CG-CD1 4.27Å; M574-I577 PolarHBondContact O-N 2.9Å; M574-I577 VanDerWaalsContact O-N 3.13Å; M574-I577 HydrophobicContact SD-CD1 4.49Å; M574-L578 WeakPolarHBondContact O-CG 3.26Å; M574-L578 PolarHBondContact O-N 3.02Å; M574-A611 HydrophobicContact CE-CB 4.14Å; M574-A611 WeakPolarHBondContact CE-O 3.47Å; M574-F612 HydrophobicContact CE-CB 4.06Å; M574-F612 HydrophobicContact CE-CD1 3.29Å; M574-F612 HydrophobicContact CE-CD2 3.7Å; M574-F612 HydrophobicContact CE-CE1 3.48Å; M574-F612 VanDerWaalsContact CE-CE1 3.48Å; M574-F612 HydrophobicContact CE-CE2 3.88Å; M574-F612 HydrophobicContact CE-CG 3.4Å; M574-F612 HydrophobicContact CE-CZ 3.77Å; M574-F612 HydrophobicContact SD-CD1 4.16Å; M574-F612 HydrophobicContact SD-CD2 4.12Å; M574-F612 HydrophobicContact SD-CE1 3.73Å; M574-F612 HydrophobicContact SD-CE2 3.7Å; M574-F612 HydrophobicContact SD-CG 4.34Å; M574-F612 HydrophobicContact SD-CZ 3.48Å; M574-F612 WeakPolarHBondContact SD-CZ 3.38Å; M574-L615 HydrophobicContact CE-CB 4.34Å; M574-L615 HydrophobicContact CE-CD2 3.97Å
575	S	90.9	Very high	92	Very high	75 Å²	75	56.1 Å²	56.1	52%	0.524	28%	0.277	S	S	.	.	H	α-helix	trans	-56.8	-39	-179.5	56.2	0	0	0	0	113.2	R571 E572 Y579	R571-S575 PolarHBondContact O-N 2.69Å; E572-S575 PolarHBondContact O-OG 3.47Å; S575-Y579 PolarHBondContact O-N 3.49Å
576	E	93.1	Very high	92.3	Very high	143 Å²	143	60.3 Å²	60.3	67%	0.668	30%	0.295	S	S	*	.	H	α-helix	trans	-66.9	-40.5	176.4	-173	176.4	176.2	0	0	112.4	M574 Y579 R580	M574-E576 VanDerWaalsContact C-N 3.28Å; M574-E576 PolarHBondContact O-N 3.29Å; E576-Y579 WeakPolarHBondContact O-CB 3.13Å; E576-Y579 PolarHBondContact O-N 3.46Å; E576-R580 WeakPolarHBondContact O-CG 3.26Å; E576-R580 PolarHBondContact O-N 3.04Å
577	I	93.5	Very high	92.3	Very high	17 Å²	17	61.4 Å²	61.4	9%	0.087	30%	0.297	C	S	.	.	H	α-helix	trans	-69.4	-42.9	-179.8	-61.4	165.3	0	0	0	110.1	M574 Y579 R580 L581 M608 A611	M574-I577 HydrophobicContact CB-CB 4.4Å; M574-I577 HydrophobicContact CB-CD1 4.3Å; M574-I577 HydrophobicContact CG-CD1 4.27Å; M574-I577 PolarHBondContact O-N 2.9Å; M574-I577 VanDerWaalsContact O-N 3.13Å; M574-I577 HydrophobicContact SD-CD1 4.49Å; I577-Y579 VanDerWaalsContact C-N 3.28Å; I577-Y579 PolarHBondContact O-N 3.48Å; I577-R580 PolarHBondContact O-N 3.35Å; I577-R580 VanDerWaalsContact O-N 3.12Å; I577-L581 HydrophobicContact CG2-CD1 4.33Å; I577-L581 WeakPolarHBondContact O-CG 3.46Å; I577-L581 PolarHBondContact O-N 3.17Å; I577-M608 HydrophobicContact CG2-CB 4.18Å; I577-M608 HydrophobicContact CG2-CG 4.24Å; I577-A611 HydrophobicContact CD1-CB 3.19Å
578	L	92.6	Very high	92.2	Very high	32 Å²	32	61.5 Å²	61.5	17%	0.168	30%	0.298	C	S	.	.	H	α-helix	trans	-58	-42.5	173.5	-72.4	174.3	0	0	0	111.2	F547 W567 R571 M574 R580 L581 T582	F547-L578 HydrophobicContact CE1-CD2 3.89Å; F547-L578 HydrophobicContact CE2-CD2 4.12Å; F547-L578 HydrophobicContact CZ-CD2 3.58Å; F547-L578 HydrophobicContact CZ-CG 4.39Å; W567-L578 HydrophobicContact CH2-CD1 4.49Å; R571-L578 HydrophobicContact CG-CD1 4.23Å; M574-L578 WeakPolarHBondContact O-CG 3.26Å; M574-L578 PolarHBondContact O-N 3.02Å; L578-R580 PolarHBondContact O-N 3.26Å; L578-L581 HydrophobicContact CD2-CD1 4.43Å; L578-L581 PolarHBondContact O-N 3.34Å; L578-T582 PolarHBondContact O-N 2.71Å; L578-T582 PolarHBondContact O-OG1 3.43Å
579	Y	94.4	Very high	91.9	Very high	162 Å²	162	59.3 Å²	59.3	64%	0.635	28%	0.283	S	S	*	.	H	α-helix	trans	-62.6	-41.4	174.6	177.9	-100.6	0	0	0	112.6	S575 E576 I577 T582 S583	S575-Y579 PolarHBondContact O-N 3.49Å; E576-Y579 WeakPolarHBondContact O-CB 3.13Å; E576-Y579 PolarHBondContact O-N 3.46Å; I577-Y579 VanDerWaalsContact C-N 3.28Å; I577-Y579 PolarHBondContact O-N 3.48Å; Y579-T582 PolarHBondContact O-N 3.08Å; Y579-S583 WeakPolarHBondContact O-CB 3.48Å; Y579-S583 PolarHBondContact O-N 3.47Å; Y579-S583 PolarHBondContact O-OG 2.81Å
580	R	94.4	Very high	91.3	Very high	70 Å²	70	61 Å²	61	26%	0.264	30%	0.296	S	S	.	.	H	α-helix	trans	-66.4	-37.7	176.1	-72.5	-177.7	70.3	-170.4	-5.1	112.4	E576 I577 L578 S583 M584 L604 D607	E576-R580 WeakPolarHBondContact O-CG 3.26Å; E576-R580 PolarHBondContact O-N 3.04Å; I577-R580 PolarHBondContact O-N 3.35Å; I577-R580 VanDerWaalsContact O-N 3.12Å; L578-R580 PolarHBondContact O-N 3.26Å; R580-S583 PolarHBondContact O-N 3.31Å; R580-M584 WeakPolarHBondContact O-CG 3.31Å; R580-M584 PolarHBondContact O-N 2.89Å; R580-L604 HydrophobicContact CB-CD1 3.61Å; R580-L604 HydrophobicContact CB-CD2 4.3Å; R580-L604 HydrophobicContact CG-CD1 4.46Å; R580-D607 IonicContact CZ-OD2 3.75Å; R580-D607 IonicContact NH1-OD2 3.7Å; R580-D607 PolarHBondContact NH1-OD2 3.18Å; R580-D607 IonicContact NH2-OD2 2.77Å; R580-D607 PolarHBondContact NH2-OD2 3.01Å
581	L	93.6	Very high	90.9	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-60.9	-46.5	173.7	-74.1	171.1	0	0	0	111.3	L514 N543 F547 I577 L578 S583 M584 L604	L514-L581 HydrophobicContact CD2-CB 4.4Å; L514-L581 HydrophobicContact CD2-CD1 4.31Å; N543-L581 HydrophobicContact CB-CD2 3.91Å; F547-L581 HydrophobicContact CB-CD1 4.06Å; F547-L581 HydrophobicContact CD1-CD1 4.45Å; F547-L581 HydrophobicContact CD2-CD1 3.92Å; F547-L581 HydrophobicContact CG-CD1 3.87Å; I577-L581 HydrophobicContact CG2-CD1 4.33Å; I577-L581 WeakPolarHBondContact O-CG 3.46Å; I577-L581 PolarHBondContact O-N 3.17Å; L578-L581 HydrophobicContact CD2-CD1 4.43Å; L578-L581 PolarHBondContact O-N 3.34Å; L581-S583 PolarHBondContact O-N 3.17Å; L581-M584 HydrophobicContact CB-CE 4.3Å; L581-M584 HydrophobicContact CD2-CE 3.69Å; L581-M584 HydrophobicContact CD2-SD 4.2Å; L581-M584 WeakPolarHBondContact O-CB 3.31Å; L581-M584 VanDerWaalsContact O-CE 3.24Å; L581-M584 WeakPolarHBondContact O-CE 3.3Å; L581-M584 WeakPolarHBondContact O-CG 3.45Å; L581-M584 PolarHBondContact O-N 3.4Å; L581-L604 HydrophobicContact CD2-CD2 4.08Å
582	T	93.4	Very high	90.4	Very high	46 Å²	46	65.2 Å²	65.2	28%	0.282	32%	0.32	S	S	.	.	H	α-helix	trans	-63.2	-33.5	174.5	-64.6	0	0	0	0	112.3	D518 L578 Y579 M584	D518-T582 WeakPolarHBondContact OD1-CG2 3.32Å; D518-T582 WeakPolarHBondContact OD2-CA 3.48Å; D518-T582 WeakPolarHBondContact OD2-CB 3.48Å; D518-T582 VanDerWaalsContact OD2-CG2 3.3Å; D518-T582 WeakPolarHBondContact OD2-CG2 3.49Å; D518-T582 PolarHBondContact OD2-OG1 3.22Å; L578-T582 PolarHBondContact O-N 2.71Å; L578-T582 PolarHBondContact O-OG1 3.43Å; Y579-T582 PolarHBondContact O-N 3.08Å; T582-M584 VanDerWaalsContact C-N 3.27Å; T582-M584 PolarHBondContact O-N 2.84Å
583	S	93.8	Very high	90.1	Very high	28 Å²	28	60.3 Å²	60.3	20%	0.196	31%	0.305	C	S	.	.	H	α-helix	trans	-77.9	-7.6	-177.5	-60.5	0	0	0	0	114.4	Y579 R580 L581 K585 F586	Y579-S583 WeakPolarHBondContact O-CB 3.48Å; Y579-S583 PolarHBondContact O-N 3.47Å; Y579-S583 PolarHBondContact O-OG 2.81Å; R580-S583 PolarHBondContact O-N 3.31Å; L581-S583 PolarHBondContact O-N 3.17Å; S583-K585 PolarHBondContact O-N 3.47Å; S583-K585 VanDerWaalsContact O-N 3.16Å; S583-F586 PolarHBondContact O-N 2.99Å; S583-F586 VanDerWaalsContact O-N 3.16Å
584	M	93.3	Very high	90.1	Very high	3 Å²	3	59.4 Å²	59.4	2%	0.015	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-58.6	-30.2	-178.5	-68.4	-169.6	-68.7	0	0	113.3	M540 N543 M544 R580 L581 T582 F586 K587 Y601 L604	M540-M584 HydrophobicContact CB-CE 4.37Å; M540-M584 HydrophobicContact CE-CB 4.04Å; M540-M584 HydrophobicContact CG-CB 3.97Å; M540-M584 HydrophobicContact CG-SD 4.48Å; M540-M584 HydrophobicContact SD-CB 4.44Å; N543-M584 HydrophobicContact CB-CE 4.12Å; N543-M584 HydrophobicContact CB-SD 3.88Å; M544-M584 HydrophobicContact CE-CE 3.82Å; M544-M584 HydrophobicContact CG-CE 3.98Å; R580-M584 WeakPolarHBondContact O-CG 3.31Å; R580-M584 PolarHBondContact O-N 2.89Å; L581-M584 HydrophobicContact CB-CE 4.3Å; L581-M584 HydrophobicContact CD2-CE 3.69Å; L581-M584 HydrophobicContact CD2-SD 4.2Å; L581-M584 WeakPolarHBondContact O-CB 3.31Å; L581-M584 VanDerWaalsContact O-CE 3.24Å; L581-M584 WeakPolarHBondContact O-CE 3.3Å; L581-M584 WeakPolarHBondContact O-CG 3.45Å; L581-M584 PolarHBondContact O-N 3.4Å; T582-M584 VanDerWaalsContact C-N 3.27Å; T582-M584 PolarHBondContact O-N 2.84Å; M584-F586 VanDerWaalsContact C-N 3.33Å; M584-F586 PolarHBondContact O-N 2.83Å; M584-K587 WeakPolarHBondContact O-CG 3.33Å; M584-Y601 HydrophobicContact CB-CE1 3.87Å; M584-Y601 HydrophobicContact CG-CD1 4.31Å; M584-Y601 HydrophobicContact CG-CE1 3.86Å; M584-Y601 PolarHBondContact O-OH 3.49Å; M584-Y601 HydrophobicContact SD-CD1 4.26Å; M584-Y601 HydrophobicContact SD-CE1 4.2Å; M584-L604 HydrophobicContact CG-CD2 3.95Å; M584-L604 HydrophobicContact SD-CD2 3.87Å
585	K	92.3	Very high	90.2	Very high	31 Å²	31	63.1 Å²	63.1	14%	0.135	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-68	-27.9	-179.7	69.7	-168.8	177.9	-158.6	0	113.8	D517 D518 Y528 K536 M540 S583 K587	D517-K585 PolarHBondContact O-NZ 2.66Å; D518-K585 IonicContact OD1-NZ 3.48Å; D518-K585 PolarHBondContact OD1-NZ 3.18Å; Y528-K585 WeakPolarHBondContact CD2-O 3.42Å; K536-K585 PolarHBondContact NZ-O 2.77Å; M540-K585 HydrophobicContact CE-CB 3.97Å; S583-K585 PolarHBondContact O-N 3.47Å; S583-K585 VanDerWaalsContact O-N 3.16Å; K585-K587 PolarHBondContact O-N 2.72Å
586	F	93.1	Very high	90.3	Very high	101 Å²	101	65.7 Å²	65.7	44%	0.443	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-75.7	-2.5	-175.7	-59	-70.9	0	0	0	114.6	Y528 S583 M584 D588	Y528-F586 HydrophobicContact CD2-CD1 4.36Å; Y528-F586 HydrophobicContact CE1-CD1 4.15Å; Y528-F586 AromaticContact CE2-CD1 3.62Å; Y528-F586 HydrophobicContact CE2-CD1 3.62Å; Y528-F586 HydrophobicContact CE2-CE1 4.12Å; Y528-F586 AromaticContact CZ-CD1 3.51Å; Y528-F586 AromaticContact CZ-CE1 3.89Å; Y528-F586 WeakPolarHBondContact OH-CE1 3.37Å; S583-F586 PolarHBondContact O-N 2.99Å; S583-F586 VanDerWaalsContact O-N 3.16Å; M584-F586 VanDerWaalsContact C-N 3.33Å; M584-F586 PolarHBondContact O-N 2.83Å; F586-D588 PolarHBondContact O-N 2.93Å
587	K	90.1	Very high	90.3	Very high	64 Å²	64	59 Å²	59	28%	0.278	30%	0.299	S	S	.	.			trans	-67.4	126.4	175.1	-60.5	-61.3	-179.8	166.1	0	110.6	K536 M584 K585 P589 I597 D600 Y601	K536-K587 PolarHBondContact NZ-O 3.45Å; M584-K587 WeakPolarHBondContact O-CG 3.33Å; K585-K587 PolarHBondContact O-N 2.72Å; K587-P589 WeakPolarHBondContact O-CD 3.06Å; K587-I597 HydrophobicContact CB-CD1 4.27Å; K587-I597 HydrophobicContact CB-CG1 4.28Å; K587-D600 WeakPolarHBondContact CE-OD2 3.5Å; K587-D600 IonicContact NZ-OD2 3.89Å; K587-D600 PolarHBondContact NZ-OD2 3.38Å; K587-Y601 HydrophobicContact CG-CE1 4.29Å
588	D	88.7	Confident	90.3	Very high	20 Å²	20	62.9 Å²	62.9	11%	0.107	32%	0.315	C	S	.	.			trans	-89.7	113.3	-176.7	-173.4	-23.1	0	0	0	109.3	F586 V590 K591 D592	F586-D588 PolarHBondContact O-N 2.93Å; D588-V590 PolarHBondContact O-N 2.81Å; D588-V590 PolarHBondContact OD1-N 3.04Å; D588-K591 HydrophobicContact CB-CB 4.16Å; D588-K591 HydrophobicContact CB-CD 4.41Å; D588-K591 HydrophobicContact CB-CG 4.41Å; D588-K591 PolarHBondContact O-N 2.83Å; D588-K591 WeakPolarHBondContact OD2-CD 3.35Å; D588-K591 WeakPolarHBondContact OD2-CE 3.44Å; D588-K591 WeakPolarHBondContact OD2-CG 3.27Å; D588-K591 IonicContact OD2-NZ 3.41Å; D588-D592 PolarHBondContact N-OD2 2.83Å; D588-D592 WeakPolarHBondContact O-CB 3.48Å; D588-D592 PolarHBondContact O-N 2.84Å
589	P	83.5	Confident	90.3	Very high	16 Å²	16	64.3 Å²	64.3	10%	0.104	33%	0.331	C	S	.	.	H	α-helix	trans	-64.3	-27.3	-176.3	27	-34.1	0	0	0	113	P533 K587	P533-P589 HydrophobicContact CG-CB 3.54Å; P533-P589 HydrophobicContact CG-CG 4.18Å; K587-P589 WeakPolarHBondContact O-CD 3.06Å
590	V	80.2	Confident	90.3	Very high	102 Å²	102	59 Å²	59	62%	0.618	31%	0.314	S	S	*	.	H	α-helix	trans	-79.2	-37.7	-178.1	-176.6	0	0	0	0	111	D588	D588-V590 PolarHBondContact O-N 2.81Å; D588-V590 PolarHBondContact OD1-N 3.04Å
591	K	82.8	Confident	90.3	Very high	171 Å²	171	56.1 Å²	56.1	74%	0.743	30%	0.303	S	S	*	.	H	α-helix	trans	-88.4	-43.1	-175.4	-65.4	-179.5	-174.5	170.9	0	113.9	D588	D588-K591 HydrophobicContact CB-CB 4.16Å; D588-K591 HydrophobicContact CB-CD 4.41Å; D588-K591 HydrophobicContact CB-CG 4.41Å; D588-K591 PolarHBondContact O-N 2.83Å; D588-K591 WeakPolarHBondContact OD2-CD 3.35Å; D588-K591 WeakPolarHBondContact OD2-CE 3.44Å; D588-K591 WeakPolarHBondContact OD2-CG 3.27Å; D588-K591 IonicContact OD2-NZ 3.41Å
592	D	80.6	Confident	90.4	Very high	44 Å²	44	58.7 Å²	58.7	24%	0.235	32%	0.324	C	S	.	.	H	α-helix	trans	-82.8	-25	-172.4	-72.9	-47.3	0	0	0	112.1	D588 K596 I597	D588-D592 PolarHBondContact N-OD2 2.83Å; D588-D592 WeakPolarHBondContact O-CB 3.48Å; D588-D592 PolarHBondContact O-N 2.84Å; D592-K596 HydrophobicContact CB-CD 4.1Å; D592-K596 WeakPolarHBondContact O-CB 3.2Å; D592-K596 IonicContact OD1-NZ 2.88Å; D592-K596 PolarHBondContact OD1-NZ 3.11Å; D592-I597 HydrophobicContact CB-CD1 4.16Å; D592-I597 HydrophobicContact CB-CG1 3.87Å
593	G	86.3	Confident	90.5	Very high	29 Å²	29	60.8 Å²	60.8	30%	0.299	33%	0.331	S	S	.	.			trans	71.5	163.1	-176.3	0	0	0	0	0	113.1	I597	G593-I597 WeakPolarHBondContact O-CG1 3.5Å; G593-I597 PolarHBondContact O-N 2.75Å
594	E	91	Very high	90.5	Very high	91 Å²	91	59.7 Å²	59.7	43%	0.425	32%	0.323	S	S	.	.	H	α-helix	trans	-64.6	-46.9	-173.1	-178.5	176.3	177.4	0	0	113	Y535 K596 I597 K598	Y535-E594 HydrophobicContact CD1-CG 3.92Å; Y535-E594 HydrophobicContact CD2-CG 3.92Å; Y535-E594 HydrophobicContact CE1-CB 4.14Å; Y535-E594 HydrophobicContact CE1-CG 3.93Å; Y535-E594 HydrophobicContact CE2-CB 4.18Å; Y535-E594 HydrophobicContact CE2-CG 3.95Å; Y535-E594 HydrophobicContact CG-CG 3.93Å; E594-K596 PolarHBondContact O-N 3.03Å; E594-I597 PolarHBondContact O-N 3.05Å; E594-K598 HydrophobicContact CG-CD 4.18Å; E594-K598 PolarHBondContact O-N 3.36Å; E594-K598 WeakPolarHBondContact OE1-CE 3.25Å; E594-K598 IonicContact OE1-NZ 3.58Å; E594-K598 PolarHBondContact OE1-NZ 2.84Å
595	A	91.9	Very high	90.6	Very high	81 Å²	81	63 Å²	63	67%	0.669	34%	0.337	S	S	*	.	H	α-helix	trans	-63.1	-40.1	-174.3	0	0	0	0	0	112.8	A599	A595-A599 WeakPolarHBondContact O-CB 3.43Å; A595-A599 PolarHBondContact O-N 3.24Å
596	K	93.4	Very high	90.7	Very high	128 Å²	128	66.3 Å²	66.3	56%	0.557	35%	0.353	S	S	*	.	H	α-helix	trans	-68.6	-41.8	179.5	-169.5	-176.3	174	-164.6	0	111.6	D592 E594 A599 D600	D592-K596 HydrophobicContact CB-CD 4.1Å; D592-K596 WeakPolarHBondContact O-CB 3.2Å; D592-K596 IonicContact OD1-NZ 2.88Å; D592-K596 PolarHBondContact OD1-NZ 3.11Å; E594-K596 PolarHBondContact O-N 3.03Å; K596-A599 PolarHBondContact O-N 3.33Å; K596-D600 WeakPolarHBondContact O-CB 3.34Å; K596-D600 PolarHBondContact O-N 3.15Å
597	I	93.3	Very high	90.8	Very high	3 Å²	3	63.8 Å²	63.8	2%	0.015	34%	0.344	C	S	.	.	H	α-helix	trans	-63.6	-44.8	177.6	-67.7	173.9	0	0	0	110.2	Y535 K587 D592 G593 E594 D600 Y601	Y535-I597 HydrophobicContact CE2-CD1 4.32Å; Y535-I597 HydrophobicContact CE2-CG2 4.44Å; K587-I597 HydrophobicContact CB-CD1 4.27Å; K587-I597 HydrophobicContact CB-CG1 4.28Å; D592-I597 HydrophobicContact CB-CD1 4.16Å; D592-I597 HydrophobicContact CB-CG1 3.87Å; G593-I597 WeakPolarHBondContact O-CG1 3.5Å; G593-I597 PolarHBondContact O-N 2.75Å; E594-I597 PolarHBondContact O-N 3.05Å; I597-D600 PolarHBondContact O-N 2.85Å; I597-Y601 HydrophobicContact CG2-CD2 3.91Å; I597-Y601 HydrophobicContact CG2-CE1 4.33Å; I597-Y601 HydrophobicContact CG2-CE2 3.43Å; I597-Y601 VanDerWaalsContact CG2-CE2 3.43Å; I597-Y601 PolarHBondContact O-N 2.97Å
598	K	93.3	Very high	90.9	Very high	99 Å²	99	60.7 Å²	60.7	43%	0.43	33%	0.331	S	S	.	.	H	α-helix	trans	-61.9	-43.9	176.4	-73.7	-175.9	178.9	176.4	0	112.3	E594 D600 Y601 A602	E594-K598 HydrophobicContact CG-CD 4.18Å; E594-K598 PolarHBondContact O-N 3.36Å; E594-K598 WeakPolarHBondContact OE1-CE 3.25Å; E594-K598 IonicContact OE1-NZ 3.58Å; E594-K598 PolarHBondContact OE1-NZ 2.84Å; K598-D600 PolarHBondContact O-N 2.96Å; K598-Y601 PolarHBondContact O-N 3.02Å; K598-A602 WeakPolarHBondContact O-CB 3.36Å; K598-A602 PolarHBondContact O-N 3.47Å
599	A	94	Very high	91.2	Very high	61 Å²	61	62.7 Å²	62.7	50%	0.504	34%	0.34	S	S	.	.	H	α-helix	trans	-62.6	-41.4	177.5	0	0	0	0	0	112.2	A595 K596 A602 Q603	A595-A599 WeakPolarHBondContact O-CB 3.43Å; A595-A599 PolarHBondContact O-N 3.24Å; K596-A599 PolarHBondContact O-N 3.33Å; A599-A602 PolarHBondContact O-N 3.14Å; A599-Q603 WeakPolarHBondContact O-CB 3.26Å; A599-Q603 PolarHBondContact O-N 3.29Å
600	D	94.1	Very high	91.6	Very high	50 Å²	50	66 Å²	66	27%	0.267	36%	0.356	S	S	.	.	H	α-helix	trans	-67.3	-37.5	178.3	-170.4	45.2	0	0	0	112.4	K587 K596 I597 K598 Q603 L604	K587-D600 WeakPolarHBondContact CE-OD2 3.5Å; K587-D600 IonicContact NZ-OD2 3.89Å; K587-D600 PolarHBondContact NZ-OD2 3.38Å; K596-D600 WeakPolarHBondContact O-CB 3.34Å; K596-D600 PolarHBondContact O-N 3.15Å; I597-D600 PolarHBondContact O-N 2.85Å; K598-D600 PolarHBondContact O-N 2.96Å; D600-Q603 PolarHBondContact O-N 2.89Å; D600-L604 WeakPolarHBondContact O-CB 3.45Å; D600-L604 PolarHBondContact O-N 2.97Å
601	Y	94.6	Very high	92.2	Very high	11 Å²	11	62.1 Å²	62.1	4%	0.043	34%	0.335	C	S	.	.	H	α-helix	trans	-69	-36.9	174.1	-67.6	-14	0	0	0	112.6	K536 M540 N543 M584 K587 I597 K598 L604 F605	K536-Y601 HydrophobicContact CG-CE2 4.38Å; M540-Y601 HydrophobicContact CG-CE2 4.18Å; N543-Y601 PolarHBondContact ND2-O 3.22Å; N543-Y601 VanDerWaalsContact ND2-O 3.15Å; M584-Y601 HydrophobicContact CB-CE1 3.87Å; M584-Y601 HydrophobicContact CG-CD1 4.31Å; M584-Y601 HydrophobicContact CG-CE1 3.86Å; M584-Y601 PolarHBondContact O-OH 3.49Å; M584-Y601 HydrophobicContact SD-CD1 4.26Å; M584-Y601 HydrophobicContact SD-CE1 4.2Å; K587-Y601 HydrophobicContact CG-CE1 4.29Å; I597-Y601 HydrophobicContact CG2-CD2 3.91Å; I597-Y601 HydrophobicContact CG2-CE1 4.33Å; I597-Y601 HydrophobicContact CG2-CE2 3.43Å; I597-Y601 VanDerWaalsContact CG2-CE2 3.43Å; I597-Y601 PolarHBondContact O-N 2.97Å; K598-Y601 PolarHBondContact O-N 3.02Å; Y601-L604 PolarHBondContact O-N 2.99Å; Y601-F605 PolarHBondContact O-N 3.21Å
602	A	94.5	Very high	92.6	Very high	54 Å²	54	54.5 Å²	54.5	45%	0.446	30%	0.302	S	S	.	.	H	α-helix	trans	-66	-42.7	173.3	0	0	0	0	0	111.7	K598 A599 L604 F605 E606	K598-A602 WeakPolarHBondContact O-CB 3.36Å; K598-A602 PolarHBondContact O-N 3.47Å; A599-A602 PolarHBondContact O-N 3.14Å; A602-L604 VanDerWaalsContact C-N 3.35Å; A602-L604 PolarHBondContact O-N 2.89Å; A602-F605 WeakPolarHBondContact O-CB 3.5Å; A602-F605 PolarHBondContact O-N 2.99Å; A602-E606 PolarHBondContact O-N 2.78Å
603	Q	95	Very high	93	Very high	90 Å²	90	59.3 Å²	59.3	42%	0.421	32%	0.317	S	S	.	.	H	α-helix	trans	-61.4	-44.1	175.2	-172.5	63.9	50.5	0	0	111.4	A599 D600 F605 E606 D607	A599-Q603 WeakPolarHBondContact O-CB 3.26Å; A599-Q603 PolarHBondContact O-N 3.29Å; D600-Q603 PolarHBondContact O-N 2.89Å; Q603-F605 VanDerWaalsContact C-N 3.25Å; Q603-F605 PolarHBondContact O-N 2.85Å; Q603-E606 PolarHBondContact O-N 2.84Å; Q603-D607 WeakPolarHBondContact O-CB 3.45Å; Q603-D607 PolarHBondContact O-N 3.32Å; Q603-D607 PolarHBondContact NE2-OD1 3.36Å
604	L	94.6	Very high	93	Very high	5 Å²	5	61.7 Å²	61.7	3%	0.026	33%	0.329	C	S	.	.	H	α-helix	trans	-60.2	-37.3	176	178.7	59.4	0	0	0	112.1	R580 L581 M584 D600 Y601 A602 M608	R580-L604 HydrophobicContact CB-CD1 3.61Å; R580-L604 HydrophobicContact CB-CD2 4.3Å; R580-L604 HydrophobicContact CG-CD1 4.46Å; L581-L604 HydrophobicContact CD2-CD2 4.08Å; M584-L604 HydrophobicContact CG-CD2 3.95Å; M584-L604 HydrophobicContact SD-CD2 3.87Å; D600-L604 WeakPolarHBondContact O-CB 3.45Å; D600-L604 PolarHBondContact O-N 2.97Å; Y601-L604 PolarHBondContact O-N 2.99Å; A602-L604 VanDerWaalsContact C-N 3.35Å; A602-L604 PolarHBondContact O-N 2.89Å; L604-M608 VanDerWaalsContact O-CB 3.26Å; L604-M608 WeakPolarHBondContact O-CB 3.41Å; L604-M608 PolarHBondContact O-N 3.06Å
605	F	94.6	Very high	92.7	Very high	71 Å²	71	58.7 Å²	58.7	31%	0.311	32%	0.316	S	S	.	.	H	α-helix	trans	-65.4	-43.5	175.6	179	-95.6	0	0	0	112.1	A546 Y601 A602 Q603 M608 Q609	A546-F605 HydrophobicContact CB-CD2 3.87Å; A546-F605 HydrophobicContact CB-CE2 3.51Å; Y601-F605 PolarHBondContact O-N 3.21Å; A602-F605 WeakPolarHBondContact O-CB 3.5Å; A602-F605 PolarHBondContact O-N 2.99Å; Q603-F605 VanDerWaalsContact C-N 3.25Å; Q603-F605 PolarHBondContact O-N 2.85Å; F605-M608 HydrophobicContact CD2-CE 3.85Å; F605-M608 PolarHBondContact O-N 3.23Å; F605-Q609 HydrophobicContact CE1-CG 4.27Å; F605-Q609 HydrophobicContact CZ-CG 4.48Å; F605-Q609 WeakPolarHBondContact O-CG 3.41Å; F605-Q609 PolarHBondContact O-N 3.39Å
606	E	95.2	Very high	92	Very high	102 Å²	102	59.9 Å²	59.9	48%	0.477	31%	0.307	S	S	.	.	H	α-helix	trans	-63.6	-45.3	174.9	-70.7	-173.5	176.3	0	0	112.3	A602 Q603 M608 Q609 N610	A602-E606 PolarHBondContact O-N 2.78Å; Q603-E606 PolarHBondContact O-N 2.84Å; E606-M608 VanDerWaalsContact C-N 3.26Å; E606-M608 PolarHBondContact O-N 2.8Å; E606-Q609 PolarHBondContact O-N 2.92Å; E606-N610 PolarHBondContact O-N 3.37Å; E606-N610 PolarHBondContact O-ND2 3.36Å
607	D	94.3	Very high	91.1	Very high	47 Å²	47	62.8 Å²	62.8	25%	0.251	33%	0.329	S	S	.	.	H	α-helix	trans	-60	-40.3	178	-62.8	-20	0	0	0	110.8	R580 Q603 N610 A611	R580-D607 IonicContact CZ-OD2 3.75Å; R580-D607 IonicContact NH1-OD2 3.7Å; R580-D607 PolarHBondContact NH1-OD2 3.18Å; R580-D607 IonicContact NH2-OD2 2.77Å; R580-D607 PolarHBondContact NH2-OD2 3.01Å; Q603-D607 WeakPolarHBondContact O-CB 3.45Å; Q603-D607 PolarHBondContact O-N 3.32Å; Q603-D607 PolarHBondContact NE2-OD1 3.36Å; D607-N610 PolarHBondContact O-N 2.93Å; D607-A611 PolarHBondContact O-N 2.64Å
608	M	94.1	Very high	91	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-63.8	-45.8	175.3	178.5	175.8	44.6	0	0	112	A546 F547 M550 I577 L604 F605 E606 N610 A611 F612	A546-M608 HydrophobicContact CB-CE 3.94Å; F547-M608 VanDerWaalsContact CA-SD 3.59Å; F547-M608 HydrophobicContact CB-SD 3.53Å; F547-M608 VanDerWaalsContact CB-SD 3.53Å; F547-M608 HydrophobicContact CD2-CG 4.41Å; F547-M608 HydrophobicContact CD2-SD 3.72Å; F547-M608 HydrophobicContact CG-SD 4.12Å; M550-M608 HydrophobicContact CE-CB 4.48Å; M550-M608 HydrophobicContact CE-CE 3.46Å; M550-M608 VanDerWaalsContact CE-CE 3.46Å; M550-M608 HydrophobicContact CE-CG 3.57Å; M550-M608 HydrophobicContact CE-SD 3.52Å; M550-M608 VanDerWaalsContact CE-SD 3.52Å; I577-M608 HydrophobicContact CG2-CB 4.18Å; I577-M608 HydrophobicContact CG2-CG 4.24Å; L604-M608 VanDerWaalsContact O-CB 3.26Å; L604-M608 WeakPolarHBondContact O-CB 3.41Å; L604-M608 PolarHBondContact O-N 3.06Å; F605-M608 HydrophobicContact CD2-CE 3.85Å; F605-M608 PolarHBondContact O-N 3.23Å; E606-M608 VanDerWaalsContact C-N 3.26Å; E606-M608 PolarHBondContact O-N 2.8Å; M608-N610 VanDerWaalsContact C-N 3.32Å; M608-N610 PolarHBondContact O-N 3.12Å; M608-A611 PolarHBondContact O-N 2.81Å; M608-F612 HydrophobicContact SD-CE2 4.33Å; M608-F612 HydrophobicContact CG-CE2 3.73Å; M608-F612 PolarHBondContact O-N 2.86Å; M608-F612 VanDerWaalsContact O-CD2 3.29Å; M608-F612 HydrophobicContact CG-CD2 3.85Å; M608-F612 WeakPolarHBondContact O-CD2 3.19Å
609	Q	93.4	Very high	90.8	Very high	62 Å²	62	64.1 Å²	64.1	29%	0.29	34%	0.34	S	S	.	.	H	α-helix	trans	-60.2	-41.9	175.9	-73.9	-172.5	-12.7	0	0	112.3	M550 F605 E606 A611 F612 R613	M550-Q609 HydrophobicContact CE-CG 4.37Å; M550-Q609 HydrophobicContact SD-CG 3.9Å; F605-Q609 HydrophobicContact CE1-CG 4.27Å; F605-Q609 HydrophobicContact CZ-CG 4.48Å; F605-Q609 WeakPolarHBondContact O-CG 3.41Å; F605-Q609 PolarHBondContact O-N 3.39Å; E606-Q609 PolarHBondContact O-N 2.92Å; Q609-A611 VanDerWaalsContact C-N 3.34Å; Q609-F612 PolarHBondContact O-N 3.24Å; Q609-R613 WeakPolarHBondContact O-CG 3.45Å; Q609-R613 PolarHBondContact O-N 2.66Å
610	N	92.9	Very high	90.7	Very high	85 Å²	85	64.2 Å²	64.2	46%	0.455	33%	0.331	S	S	.	.	H	α-helix	trans	-65	-38.8	178.9	-69.4	-30.9	0	0	0	111.9	E606 D607 M608 R613 S614	E606-N610 PolarHBondContact O-N 3.37Å; E606-N610 PolarHBondContact O-ND2 3.36Å; D607-N610 PolarHBondContact O-N 2.93Å; M608-N610 VanDerWaalsContact C-N 3.32Å; M608-N610 PolarHBondContact O-N 3.12Å; N610-R613 PolarHBondContact O-N 2.92Å; N610-S614 PolarHBondContact O-N 2.76Å
611	A	91.6	Very high	90.5	Very high	21 Å²	21	65.1 Å²	65.1	17%	0.174	34%	0.335	C	S	.	.	H	α-helix	trans	-70.3	-34.1	176.8	0	0	0	0	0	113.5	M574 I577 D607 M608 Q609 S614 L615	M574-A611 HydrophobicContact CE-CB 4.14Å; M574-A611 WeakPolarHBondContact CE-O 3.47Å; I577-A611 HydrophobicContact CD1-CB 3.19Å; D607-A611 PolarHBondContact O-N 2.64Å; M608-A611 PolarHBondContact O-N 2.81Å; Q609-A611 VanDerWaalsContact C-N 3.34Å; A611-S614 PolarHBondContact O-OG 3.21Å; A611-S614 VanDerWaalsContact O-OG 3.04Å; A611-S614 PolarHBondContact O-N 2.78Å; A611-L615 WeakPolarHBondContact O-CB 3.08Å; A611-L615 PolarHBondContact O-N 2.83Å; A611-L615 VanDerWaalsContact O-N 3.14Å
612	F	91	Very high	90.2	Very high	10 Å²	10	68.4 Å²	68.4	4%	0.044	35%	0.353	C	S	.	.	H	α-helix	trans	-67.5	-37	172.2	-85.1	-71.8	0	0	0	111.5	F547 M550 A551 A554 M574 M608 Q609 L615 E616	F547-F612 AromaticContact CD2-CE2 3.77Å; F547-F612 HydrophobicContact CD2-CE2 3.77Å; F547-F612 AromaticContact CD2-CZ 3.86Å; F547-F612 HydrophobicContact CD2-CZ 3.86Å; F547-F612 AromaticContact CE2-CE2 3.97Å; F547-F612 HydrophobicContact CE2-CE2 3.97Å; F547-F612 AromaticContact CE2-CZ 3.7Å; F547-F612 HydrophobicContact CE2-CZ 3.7Å; F547-F612 HydrophobicContact CZ-CZ 4.43Å; M550-F612 HydrophobicContact CB-CD1 4.26Å; M550-F612 HydrophobicContact CB-CD2 3.69Å; M550-F612 HydrophobicContact CB-CE1 4.25Å; M550-F612 HydrophobicContact CB-CE2 3.67Å; M550-F612 HydrophobicContact CB-CG 4.01Å; M550-F612 HydrophobicContact CB-CZ 3.97Å; M550-F612 HydrophobicContact CE-CD2 4.17Å; M550-F612 HydrophobicContact CE-CE2 4.3Å; M550-F612 HydrophobicContact CG-CD2 4.35Å; M550-F612 HydrophobicContact SD-CD2 3.81Å; M550-F612 HydrophobicContact SD-CE2 4.4Å; M550-F612 HydrophobicContact SD-CG 4.43Å; A551-F612 HydrophobicContact CB-CE1 4.18Å; A551-F612 HydrophobicContact CB-CZ 4.04Å; A554-F612 HydrophobicContact CB-CD1 4.46Å; M574-F612 HydrophobicContact CE-CB 4.06Å; M574-F612 HydrophobicContact CE-CD1 3.29Å; M574-F612 HydrophobicContact CE-CD2 3.7Å; M574-F612 HydrophobicContact CE-CE1 3.48Å; M574-F612 VanDerWaalsContact CE-CE1 3.48Å; M574-F612 HydrophobicContact CE-CE2 3.88Å; M574-F612 HydrophobicContact CE-CG 3.4Å; M574-F612 HydrophobicContact CE-CZ 3.77Å; M574-F612 HydrophobicContact SD-CD1 4.16Å; M574-F612 HydrophobicContact SD-CD2 4.12Å; M574-F612 HydrophobicContact SD-CE1 3.73Å; M574-F612 HydrophobicContact SD-CE2 3.7Å; M574-F612 HydrophobicContact SD-CG 4.34Å; M574-F612 HydrophobicContact SD-CZ 3.48Å; M574-F612 WeakPolarHBondContact SD-CZ 3.38Å; M608-F612 HydrophobicContact SD-CE2 4.33Å; M608-F612 HydrophobicContact CG-CE2 3.73Å; M608-F612 PolarHBondContact O-N 2.86Å; M608-F612 VanDerWaalsContact O-CD2 3.29Å; M608-F612 HydrophobicContact CG-CD2 3.85Å; M608-F612 WeakPolarHBondContact O-CD2 3.19Å; Q609-F612 PolarHBondContact O-N 3.24Å; F612-L615 PolarHBondContact O-N 3.25Å; F612-E616 PolarHBondContact O-N 2.86Å
613	R	89	Confident	89.9	Confident	146 Å²	146	69.4 Å²	69.4	55%	0.551	35%	0.347	S	S	*	.	H	α-helix	trans	-63.1	-46.1	172.8	-70.7	176.8	-172.5	161.7	5.7	112	Q609 N610 L615 E616 D617	Q609-R613 WeakPolarHBondContact O-CG 3.45Å; Q609-R613 PolarHBondContact O-N 2.66Å; N610-R613 PolarHBondContact O-N 2.92Å; R613-L615 PolarHBondContact O-N 3.09Å; R613-E616 PolarHBondContact O-N 3.23Å; R613-E616 VanDerWaalsContact O-N 3.13Å; R613-D617 PolarHBondContact O-N 3.4Å
614	S	87.7	Confident	89.5	Confident	79 Å²	79	67.9 Å²	67.9	55%	0.552	34%	0.342	S	S	*	.	H	α-helix	trans	-68.1	-14.1	178.2	75.2	0	0	0	0	114.2	N610 A611	N610-S614 PolarHBondContact O-N 2.76Å; A611-S614 PolarHBondContact O-OG 3.21Å; A611-S614 VanDerWaalsContact O-OG 3.04Å; A611-S614 PolarHBondContact O-N 2.78Å
615	L	85.1	Confident	89.2	Confident	28 Å²	28	72.8 Å²	72.8	15%	0.147	37%	0.366	C	S	.	.	H	α-helix	trans	-87.2	-28.5	175.2	-169.8	72.9	0	0	0	111.8	I565 I569 I570 N573 M574 A611 F612 R613	I565-L615 HydrophobicContact CD1-CG 4.46Å; I565-L615 HydrophobicContact CG2-CD2 4.13Å; I569-L615 HydrophobicContact CG2-CD1 4.08Å; I570-L615 HydrophobicContact CG1-CD2 3.74Å; N573-L615 HydrophobicContact CB-CD1 3.89Å; M574-L615 HydrophobicContact CE-CB 4.34Å; M574-L615 HydrophobicContact CE-CD2 3.97Å; A611-L615 WeakPolarHBondContact O-CB 3.08Å; A611-L615 PolarHBondContact O-N 2.83Å; A611-L615 VanDerWaalsContact O-N 3.14Å; F612-L615 PolarHBondContact O-N 3.25Å; R613-L615 PolarHBondContact O-N 3.09Å
616	E	76.9	Confident	88.7	Confident	105 Å²	105	72.9 Å²	72.9	49%	0.491	37%	0.371	S	S	.	.	H	α-helix	trans	-82.8	-29.6	176.7	-71.8	-175.5	168.8	0	0	112.5	I565 F612 R613	I565-E616 HydrophobicContact CD1-CG 4.44Å; F612-E616 PolarHBondContact O-N 2.86Å; R613-E616 PolarHBondContact O-N 3.23Å; R613-E616 VanDerWaalsContact O-N 3.13Å
617	D	73.1	Confident	88.1	Confident	190 Å²	190	70.3 Å²	70.3	100%	1.016	36%	0.361	S	S	*	.			trans	-74.2	0	170.6	-68.6	-30.1	0	0	0	112.2	R613	R613-D617 PolarHBondContact O-N 3.4Å

Retrieved 617 of 617 residues in 543.5 ms (Link to these results)

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