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H(+)-transporting two-sector ATPase

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 A0A060XSR8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110489677, 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	40.6	Very low	53	Low	183 Å²	183	85.7 Å²	85.7	90%	0.901	40%	0.404	S	S	*	.				0	130.9	0	-96.4	-172.9	-169.9	0	0	108	K84 V208	M1-K84 PolarHBondContact SD-NZ 3.01Å; M1-V208 WeakPolarHBondContact O-CG2 3.42Å
2	D	46.3	Very low	53.5	Low	35 Å²	35	82.7 Å²	82.7	19%	0.187	39%	0.389	C	S	.	.			trans	-84.1	135.7	-162.9	177.7	-12.4	0	0	0	113.2	S4 K5 R129	D2-S4 WeakPolarHBondContact OD1-CB 3.43Å; D2-S4 PolarHBondContact OD1-N 3.11Å; D2-S4 PolarHBondContact OD1-OG 3.5Å; D2-S4 PolarHBondContact OD2-OG 3.19Å; D2-K5 HydrophobicContact CB-CB 4.19Å; D2-K5 HydrophobicContact CB-CD 4.12Å; D2-K5 HydrophobicContact CB-CG 4.1Å; D2-R129 IonicContact OD1-CZ 2.7Å; D2-R129 IonicContact OD1-NH1 3.23Å; D2-R129 IonicContact OD1-NH2 2.63Å; D2-R129 PolarHBondContact OD1-NH2 3.37Å; D2-R129 IonicContact OD2-CZ 3.11Å; D2-R129 IonicContact OD2-NH1 2.88Å; D2-R129 PolarHBondContact OD2-NH1 3.38Å; D2-R129 IonicContact OD2-NH2 3.83Å; D2-R129 PolarHBondContact OD2-NH2 2.74Å; D2-R129 VanDerWaalsContact OD2-NH2 3.11Å
3	L	47	Very low	53.4	Low	32 Å²	32	91.2 Å²	91.2	17%	0.168	43%	0.429	C	S	.	.	S	Bend	trans	-78.4	-21	179.3	-78.8	164.6	0	0	0	113.5	K5 L6 S87 E89 V208	L3-K5 VanDerWaalsContact C-N 3.26Å; L3-L6 HydrophobicContact CD2-CD1 3.92Å; L3-L6 HydrophobicContact CD2-CG 4.31Å; L3-L6 WeakPolarHBondContact O-CD1 3.46Å; L3-L6 VanDerWaalsContact O-CG 3.22Å; L3-L6 WeakPolarHBondContact O-CG 3.28Å; L3-L6 PolarHBondContact O-N 2.89Å; L3-S87 WeakPolarHBondContact CD1-O 3.28Å; L3-E89 HydrophobicContact CB-CG 4.28Å; L3-E89 HydrophobicContact CD1-CG 3.7Å; L3-E89 HydrophobicContact CG-CG 4.34Å; L3-E89 PolarHBondContact N-OE1 3.01Å; L3-V208 HydrophobicContact CD1-CG1 4.18Å; L3-V208 HydrophobicContact CG-CG1 4.25Å; L3-V208 HydrophobicContact CG-CG2 4.47Å
4	S	44.6	Very low	53.9	Low	33 Å²	33	93.3 Å²	93.3	23%	0.231	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-17.8	173.1	83.4	0	0	0	0	112.8	D2 L6 R129	D2-S4 WeakPolarHBondContact OD1-CB 3.43Å; D2-S4 PolarHBondContact OD1-N 3.11Å; D2-S4 PolarHBondContact OD1-OG 3.5Å; D2-S4 PolarHBondContact OD2-OG 3.19Å; S4-L6 VanDerWaalsContact C-N 3.34Å; S4-R129 VanDerWaalsContact CB-NH2 3.32Å; S4-R129 PolarHBondContact OG-NH1 3.25Å; S4-R129 PolarHBondContact OG-NH2 2.84Å
5	K	49.9	Very low	54.4	Low	165 Å²	165	97.3 Å²	97.3	72%	0.717	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	16.9	173.3	-64.6	-174.6	-175	-176.8	0	112.9	D2 L3	D2-K5 HydrophobicContact CB-CB 4.19Å; D2-K5 HydrophobicContact CB-CD 4.12Å; D2-K5 HydrophobicContact CB-CG 4.1Å; L3-K5 VanDerWaalsContact C-N 3.26Å
6	L	57.5	Low	55	Low	11 Å²	11	96.9 Å²	96.9	6%	0.058	47%	0.466	C	S	.	.	S	Bend	trans	-56	137.2	164.6	-74.8	175.3	0	0	0	108.4	L3 S4 K8 L42 T82	L3-L6 HydrophobicContact CD2-CD1 3.92Å; L3-L6 HydrophobicContact CD2-CG 4.31Å; L3-L6 WeakPolarHBondContact O-CD1 3.46Å; L3-L6 VanDerWaalsContact O-CG 3.22Å; L3-L6 WeakPolarHBondContact O-CG 3.28Å; L3-L6 PolarHBondContact O-N 2.89Å; S4-L6 VanDerWaalsContact C-N 3.34Å; L6-K8 PolarHBondContact O-N 3.16Å; L6-L42 HydrophobicContact CD1-CD2 4.07Å; L6-T82 HydrophobicContact CD1-CG2 4.36Å; L6-T82 HydrophobicContact CD2-CG2 3.95Å
7	P	57	Low	56	Low	36 Å²	36	95.2 Å²	95.2	23%	0.234	46%	0.457	C	S	.	.	P	Polyproline II helix	trans	-56.7	131.3	-178.4	24.7	-32.9	0	0	0	108.2	L80	P7-L80 HydrophobicContact CB-CD2 4.05Å; P7-L80 HydrophobicContact CG-CD2 4.28Å; P7-L80 WeakPolarHBondContact O-CD2 3.37Å
8	K	62.1	Low	57.6	Low	82 Å²	82	91.1 Å²	91.1	36%	0.357	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-88.7	160.2	169.4	-63.1	-178.9	179.6	176.4	0	108.7	L6 R10 D11 E12 E49 L80	L6-K8 PolarHBondContact O-N 3.16Å; K8-R10 PolarHBondContact O-N 3.48Å; K8-R10 VanDerWaalsContact O-N 3.09Å; K8-D11 HydrophobicContact CB-CB 4.35Å; K8-D11 VanDerWaalsContact CB-OD2 3.28Å; K8-D11 WeakPolarHBondContact CB-OD2 3.28Å; K8-D11 WeakPolarHBondContact CG-OD2 3.24Å; K8-D11 PolarHBondContact N-OD2 3.2Å; K8-D11 PolarHBondContact O-N 3.04Å; K8-E12 PolarHBondContact O-N 2.89Å; K8-E49 WeakPolarHBondContact CB-OE1 3.37Å; K8-L80 WeakPolarHBondContact O-CD2 3.46Å
9	I	61.3	Low	59.3	Low	35 Å²	35	86.3 Å²	86.3	18%	0.179	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-27.7	176.8	-63.3	176.3	0	0	0	110.6	F18 G46 E49 P78 L80	I9-F18 HydrophobicContact CB-CE1 4.21Å; I9-F18 HydrophobicContact CG1-CE1 4.2Å; I9-F18 HydrophobicContact CG2-CE1 3.85Å; I9-F18 HydrophobicContact CG2-CZ 4.35Å; I9-G46 WeakPolarHBondContact CD1-O 3.35Å; I9-E49 HydrophobicContact CD1-CG 3.73Å; I9-E49 HydrophobicContact CG1-CG 3.96Å; I9-E49 PolarHBondContact N-OE1 3.35Å; I9-P78 HydrophobicContact CD1-CB 4.44Å; I9-P78 HydrophobicContact CD1-CG 4Å; I9-P78 HydrophobicContact CG2-CG 4.24Å; I9-L80 HydrophobicContact CG1-CB 4.05Å; I9-L80 HydrophobicContact CG1-CD2 4.2Å
10	R	59.5	Low	61	Low	228 Å²	228	86.7 Å²	86.7	86%	0.86	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-16.9	176.6	-59.9	-177.6	-178.6	-175.2	0.2	114.7	K8	K8-R10 PolarHBondContact O-N 3.48Å; K8-R10 VanDerWaalsContact O-N 3.09Å
11	D	57.5	Low	62.7	Low	103 Å²	103	82.7 Å²	82.7	55%	0.551	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-15.2	-173.1	-60.3	-24	0	0	0	112.2	K8	K8-D11 HydrophobicContact CB-CB 4.35Å; K8-D11 VanDerWaalsContact CB-OD2 3.28Å; K8-D11 WeakPolarHBondContact CB-OD2 3.28Å; K8-D11 WeakPolarHBondContact CG-OD2 3.24Å; K8-D11 PolarHBondContact N-OD2 3.2Å; K8-D11 PolarHBondContact O-N 3.04Å
12	E	59.2	Low	65.3	Low	49 Å²	49	79.2 Å²	79.2	23%	0.229	37%	0.374	C	S	.	.			trans	-106.9	114.5	-176.6	-166.7	58.6	-128.4	0	0	111.1	K8 E17 F18 L80	K8-E12 PolarHBondContact O-N 2.89Å; E12-E17 HydrophobicContact CG-CB 4.26Å; E12-F18 HydrophobicContact CB-CE2 4.16Å; E12-F18 HydrophobicContact CB-CZ 3.88Å; E12-F18 HydrophobicContact CG-CE2 4.24Å; E12-F18 HydrophobicContact CG-CZ 4.38Å; E12-F18 WeakPolarHBondContact O-CE2 3.43Å; E12-L80 HydrophobicContact CB-CD1 4.29Å; E12-L80 HydrophobicContact CG-CD1 4.36Å
13	E	52.2	Low	67.5	Low	193 Å²	193	78.7 Å²	78.7	90%	0.902	38%	0.377	S	S	*	.			trans	-86.1	-11.6	-177.8	-67	-174.3	162.1	0	0	113	E15	E13-E15 PolarHBondContact O-N 3.38Å
14	K	60.3	Low	69.7	Low	121 Å²	121	80 Å²	80	53%	0.526	39%	0.386	S	S	.	.			trans	-90	105.8	-177	-70.8	179.5	-173.4	163.8	0	112.1	S16 E17 F18	K14-S16 PolarHBondContact O-N 3.24Å; K14-E17 HydrophobicContact CB-CG 4.23Å; K14-E17 PolarHBondContact O-N 2.98Å; K14-F18 WeakPolarHBondContact O-CD2 3.41Å
15	E	60.8	Low	71.7	Confident	153 Å²	153	82 Å²	82	72%	0.715	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-52.8	-26.3	172.9	-71	-173.8	167.6	0	0	113.8	E13 E17 F18	E13-E15 PolarHBondContact O-N 3.38Å; E15-E17 VanDerWaalsContact C-N 3.26Å; E15-E17 PolarHBondContact O-N 3.23Å; E15-F18 PolarHBondContact O-N 3.44Å
16	S	64.3	Low	73.5	Confident	92 Å²	92	76 Å²	76	64%	0.643	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-69.4	-17.9	178.6	58.6	0	0	0	0	114.7	K14 R81	K14-S16 PolarHBondContact O-N 3.24Å; S16-R81 PolarHBondContact O-NH2 3.17Å; S16-R81 VanDerWaalsContact O-NH2 3.12Å
17	E	72.4	Confident	74.9	Confident	67 Å²	67	77 Å²	77	31%	0.313	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-86.7	-15.1	179.5	-63.7	-161.9	-176	0	0	112.7	E12 K14 E15 R81	E12-E17 HydrophobicContact CG-CB 4.26Å; K14-E17 HydrophobicContact CB-CG 4.23Å; K14-E17 PolarHBondContact O-N 2.98Å; E15-E17 VanDerWaalsContact C-N 3.26Å; E15-E17 PolarHBondContact O-N 3.23Å; E17-R81 PolarHBondContact O-NE 3.02Å; E17-R81 PolarHBondContact O-NH2 3.43Å
18	F	83.6	Confident	76.6	Confident	21 Å²	21	76 Å²	76	9%	0.092	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	136.6	178.2	-62.2	-84.5	0	0	0	112.3	I9 E12 K14 E15 P78 V79 L80	I9-F18 HydrophobicContact CB-CE1 4.21Å; I9-F18 HydrophobicContact CG1-CE1 4.2Å; I9-F18 HydrophobicContact CG2-CE1 3.85Å; I9-F18 HydrophobicContact CG2-CZ 4.35Å; E12-F18 HydrophobicContact CB-CE2 4.16Å; E12-F18 HydrophobicContact CB-CZ 3.88Å; E12-F18 HydrophobicContact CG-CE2 4.24Å; E12-F18 HydrophobicContact CG-CZ 4.38Å; E12-F18 WeakPolarHBondContact O-CE2 3.43Å; K14-F18 WeakPolarHBondContact O-CD2 3.41Å; E15-F18 PolarHBondContact O-N 3.44Å; F18-P78 HydrophobicContact CD1-CB 4.28Å; F18-V79 WeakPolarHBondContact CA-O 3.28Å; F18-L80 HydrophobicContact CD1-CB 4.07Å; F18-L80 HydrophobicContact CD1-CD1 4.14Å; F18-L80 HydrophobicContact CE1-CB 3.95Å; F18-L80 HydrophobicContact CE1-CD1 3.8Å; F18-L80 HydrophobicContact CE1-CD2 4.44Å; F18-L80 HydrophobicContact CE1-CG 4.29Å; F18-L80 HydrophobicContact CZ-CD1 4.21Å
19	G	90.4	Very high	78.1	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	177.4	156	0	0	0	0	0	111.5	T32 M34 V79	G19-T32 CarbonylContact C-O 3.47Å; G19-T32 WeakPolarHBondContact CA-O 3.43Å; G19-M34 VanDerWaalsContact CA-SD 3.59Å; G19-V79 PolarHBondContact N-O 3.37Å; G19-V79 PolarHBondContact O-N 3.44Å
20	Y	93.9	Very high	79.7	Confident	95 Å²	95	72.4 Å²	72.4	37%	0.373	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	137.8	179	-62.9	-81.7	0	0	0	110.8	H22 A31 T32 A33 D77	Y20-H22 PolarHBondContact O-N 3.29Å; Y20-A31 CarbonylContact O-C 3.55Å; Y20-A31 WeakPolarHBondContact O-CA 3.48Å; Y20-T32 PolarHBondContact N-O 2.99Å; Y20-T32 PolarHBondContact O-N 2.99Å; Y20-T32 PolarHBondContact O-OG1 3.39Å; Y20-A33 HydrophobicContact CD2-CB 4.37Å; Y20-D77 CarbonylContact C-O 3.57Å; Y20-D77 WeakPolarHBondContact CA-O 3.49Å
21	V	95.9	Very high	81.4	Confident	2 Å²	2	61.5 Å²	61.5	1%	0.012	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	119.9	176	175.5	0	0	0	0	109.5	V29 V45 V73 V75 G76 D77 V79	V21-V29 HydrophobicContact CB-CG1 4.4Å; V21-V29 HydrophobicContact CG1-CG1 3.84Å; V21-V29 HydrophobicContact CG2-CG1 3.85Å; V21-V45 HydrophobicContact CG2-CG1 4.01Å; V21-V73 HydrophobicContact CG1-CG1 4.3Å; V21-V73 HydrophobicContact CG2-CG1 4.1Å; V21-V75 WeakPolarHBondContact O-CG1 3.41Å; V21-G76 PolarHBondContact O-N 3.42Å; V21-D77 HydrophobicContact CB-CB 4.21Å; V21-D77 HydrophobicContact CG2-CB 3.88Å; V21-D77 WeakPolarHBondContact CG2-O 3.43Å; V21-D77 PolarHBondContact N-O 3.35Å; V21-V79 HydrophobicContact CG2-CG2 3.65Å
22	H	95.3	Very high	83.1	Confident	111 Å²	111	58.5 Å²	58.5	51%	0.514	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-37.6	174.6	-177.7	72.1	0	0	0	111.8	Y20 T30 T32	Y20-H22 PolarHBondContact O-N 3.29Å; H22-T30 WeakPolarHBondContact CA-O 3.39Å; H22-T30 WeakPolarHBondContact CB-O 3.44Å; H22-T30 PolarHBondContact N-O 3.23Å; H22-T32 HydrophobicContact CB-CG2 3.77Å
23	G	92.7	Very high	84.7	Confident	23 Å²	23	58 Å²	58	24%	0.237	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	153.4	179	0	0	0	0	0	112.8	T30	G23-T30 PolarHBondContact N-O 3.43Å; G23-T30 VanDerWaalsContact N-O 3.15Å; G23-T30 PolarHBondContact O-N 3.08Å
24	V	92.7	Very high	86.5	Confident	60 Å²	60	49 Å²	49	36%	0.364	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	129.5	179	57	0	0	0	0	109.9	V29	V24-V29 HydrophobicContact CB-CG2 4.46Å; V24-V29 HydrophobicContact CG2-CG2 4.06Å
25	S	88.2	Confident	87.8	Confident	75 Å²	75	46.3 Å²	46.3	52%	0.524	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	91.9	178.4	-174.9	0	0	0	0	109.9	V28	S25-V28 PolarHBondContact N-O 3.31Å; S25-V28 PolarHBondContact O-N 3.04Å
26	G	87.1	Confident	89	Confident	38 Å²	38	42.6 Å²	42.6	39%	0.392	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	-128.9	-173.7	0	0	0	0	0	111	V28 T70	G26-V28 PolarHBondContact O-N 3.42Å; G26-T70 WeakPolarHBondContact O-CB 3.31Å; G26-T70 WeakPolarHBondContact O-CG2 3.44Å; G26-T70 PolarHBondContact O-OG1 2.7Å
27	P	87.3	Confident	90.2	Very high	33 Å²	33	38.9 Å²	38.9	21%	0.214	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-6.3	-179	32.6	-35.3	0	0	0	114	V66	P27-V66 PolarHBondContact O-N 3.1Å
28	V	91	Very high	91.1	Very high	15 Å²	15	38.2 Å²	38.2	9%	0.091	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	127.6	-178.3	-177.3	0	0	0	0	109.8	S25 G26 T63 I64 R364	S25-V28 PolarHBondContact N-O 3.31Å; S25-V28 PolarHBondContact O-N 3.04Å; G26-V28 PolarHBondContact O-N 3.42Å; V28-T63 HydrophobicContact CG1-CG2 3.33Å; V28-I64 WeakPolarHBondContact CA-O 3.5Å; V28-R364 HydrophobicContact CG2-CB 3.87Å
29	V	93.8	Very high	91.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	129.6	177.4	178	0	0	0	0	108.6	V21 V24 V45 I64 V66 T70	V21-V29 HydrophobicContact CB-CG1 4.4Å; V21-V29 HydrophobicContact CG1-CG1 3.84Å; V21-V29 HydrophobicContact CG2-CG1 3.85Å; V24-V29 HydrophobicContact CB-CG2 4.46Å; V24-V29 HydrophobicContact CG2-CG2 4.06Å; V29-V45 HydrophobicContact CG1-CG1 4.1Å; V29-V45 HydrophobicContact CG2-CG1 4.44Å; V29-I64 HydrophobicContact CB-CB 4.5Å; V29-I64 PolarHBondContact N-O 2.65Å; V29-I64 WeakPolarHBondContact O-CA 3.45Å; V29-I64 WeakPolarHBondContact O-CB 3.49Å; V29-I64 PolarHBondContact O-N 3.2Å; V29-V66 HydrophobicContact CB-CG2 4.22Å; V29-V66 HydrophobicContact CG2-CG2 3.59Å; V29-T70 HydrophobicContact CG2-CG2 3.97Å
30	T	94.5	Very high	91.4	Very high	41 Å²	41	46.4 Å²	46.4	25%	0.252	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	124.8	172.1	-56.2	0	0	0	0	108.4	H22 G23 M61 A62	H22-T30 WeakPolarHBondContact CA-O 3.39Å; H22-T30 WeakPolarHBondContact CB-O 3.44Å; H22-T30 PolarHBondContact N-O 3.23Å; G23-T30 PolarHBondContact N-O 3.43Å; G23-T30 VanDerWaalsContact N-O 3.15Å; G23-T30 PolarHBondContact O-N 3.08Å; T30-M61 HydrophobicContact CG2-CB 4.47Å; T30-M61 HydrophobicContact CG2-SD 4.35Å; T30-A62 WeakPolarHBondContact CA-O 3.29Å
31	A	95.3	Very high	91.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	141.2	177.1	0	0	0	0	0	111.3	Y20 M34 M61 A62 I64 V79	Y20-A31 CarbonylContact O-C 3.55Å; Y20-A31 WeakPolarHBondContact O-CA 3.48Å; A31-M34 HydrophobicContact CB-CG 3.84Å; A31-M34 HydrophobicContact CB-SD 4.3Å; A31-M61 CarbonylContact O-C 3.55Å; A31-M61 VanDerWaalsContact O-CA 3.29Å; A31-M61 WeakPolarHBondContact O-CA 3.27Å; A31-A62 PolarHBondContact N-O 2.86Å; A31-A62 PolarHBondContact O-N 3.07Å; A31-I64 HydrophobicContact CB-CD1 3.63Å; A31-V79 HydrophobicContact CB-CB 4.38Å; A31-V79 HydrophobicContact CB-CG2 3.92Å
32	T	94.8	Very high	91.1	Very high	40 Å²	40	42.7 Å²	42.7	25%	0.245	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	167.2	173.5	45.8	0	0	0	0	110.9	G19 Y20 H22 M34 M61	G19-T32 CarbonylContact C-O 3.47Å; G19-T32 WeakPolarHBondContact CA-O 3.43Å; Y20-T32 PolarHBondContact N-O 2.99Å; Y20-T32 PolarHBondContact O-N 2.99Å; Y20-T32 PolarHBondContact O-OG1 3.39Å; H22-T32 HydrophobicContact CB-CG2 3.77Å; T32-M34 VanDerWaalsContact C-N 3.3Å; T32-M61 HydrophobicContact CG2-CG 3.74Å; T32-M61 HydrophobicContact CG2-SD 4.21Å
33	A	92	Very high	91	Very high	38 Å²	38	37.4 Å²	37.4	31%	0.314	26%	0.261	S	S	.	.	S	Bend	trans	60.8	38.3	-176.1	0	0	0	0	0	112.8	Y20 D60	Y20-A33 HydrophobicContact CD2-CB 4.37Å; A33-D60 WeakPolarHBondContact CA-OD1 3.44Å; A33-D60 VanDerWaalsContact CA-OD2 3.24Å; A33-D60 WeakPolarHBondContact CA-OD2 3.37Å; A33-D60 PolarHBondContact N-O 3.37Å; A33-D60 PolarHBondContact N-OD2 3.48Å; A33-D60 VanDerWaalsContact N-OD2 3.09Å
34	M	90.4	Very high	90.9	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.015	25%	0.252	C	S	.	.			trans	-102.8	20.2	-178.3	-66.7	-68.2	-71.2	0	0	112.5	G19 A31 T32 G36 A37 V43 I54 D60 A62 I64 V79 R81	G19-M34 VanDerWaalsContact CA-SD 3.59Å; A31-M34 HydrophobicContact CB-CG 3.84Å; A31-M34 HydrophobicContact CB-SD 4.3Å; T32-M34 VanDerWaalsContact C-N 3.3Å; M34-G36 PolarHBondContact O-N 3.14Å; M34-A37 HydrophobicContact CB-CB 4.45Å; M34-A37 HydrophobicContact CE-CB 4.19Å; M34-A37 VanDerWaalsContact O-CB 3.26Å; M34-A37 WeakPolarHBondContact O-CB 3.43Å; M34-A37 PolarHBondContact O-N 3.17Å; M34-V43 HydrophobicContact CE-CG1 4.03Å; M34-I54 HydrophobicContact CE-CD1 3.78Å; M34-D60 PolarHBondContact N-O 2.83Å; M34-D60 VanDerWaalsContact N-O 3.16Å; M34-D60 PolarHBondContact N-OD1 3.01Å; M34-D60 VanDerWaalsContact N-OD1 3.15Å; M34-A62 HydrophobicContact CB-CB 3.71Å; M34-A62 HydrophobicContact CE-CB 4.33Å; M34-A62 HydrophobicContact CG-CB 3.84Å; M34-I64 HydrophobicContact CE-CD1 4.4Å; M34-V79 HydrophobicContact CE-CG1 4.01Å; M34-V79 HydrophobicContact SD-CB 4.35Å; M34-V79 HydrophobicContact SD-CG1 4.09Å; M34-R81 HydrophobicContact CE-CG 3.59Å; M34-R81 HydrophobicContact SD-CG 4.2Å
35	A	87.4	Confident	90.9	Very high	66 Å²	66	34 Å²	34	55%	0.545	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	123.4	175.9	0	0	0	0	0	112.6	D60 R81	A35-D60 WeakPolarHBondContact CB-OD1 3.41Å; A35-D60 PolarHBondContact N-OD1 3.27Å; A35-R81 PolarHBondContact O-NH1 2.93Å
36	G	85.6	Confident	91	Very high	75 Å²	75	30.5 Å²	30.5	77%	0.773	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.7	4.8	-178.2	0	0	0	0	0	114.7	M34 R81	M34-G36 PolarHBondContact O-N 3.14Å; G36-R81 VanDerWaalsContact C-NH1 3.25Å
37	A	89.6	Confident	91.1	Very high	14 Å²	14	35.4 Å²	35.4	12%	0.116	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-74.9	145.9	168.1	0	0	0	0	0	111.5	M34 E41 I54 L57	M34-A37 HydrophobicContact CB-CB 4.45Å; M34-A37 HydrophobicContact CE-CB 4.19Å; M34-A37 VanDerWaalsContact O-CB 3.26Å; M34-A37 WeakPolarHBondContact O-CB 3.43Å; M34-A37 PolarHBondContact O-N 3.17Å; A37-E41 WeakPolarHBondContact CA-OE2 3.49Å; A37-I54 HydrophobicContact CB-CD1 3.49Å; A37-I54 VanDerWaalsContact CB-CD1 3.49Å; A37-L57 HydrophobicContact CB-CD2 4.42Å; A37-L57 WeakPolarHBondContact O-CD1 3.49Å
38	A	91.1	Very high	91.1	Very high	53 Å²	53	37 Å²	37	44%	0.438	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-97.7	154.1	177.3	0	0	0	0	0	112.1	E41	A38-E41 HydrophobicContact CB-CB 4.26Å; A38-E41 PolarHBondContact N-OE2 3.33Å; A38-E41 WeakPolarHBondContact O-CB 3.16Å; A38-E41 PolarHBondContact O-N 2.94Å
39	M	91.6	Very high	91	Very high	113 Å²	113	37.5 Å²	37.5	56%	0.557	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	139.1	170.5	-170.8	-165.7	-80.9	0	0	109.7	E41	M39-E41 PolarHBondContact O-N 3.46Å
40	Y	89.9	Confident	90.9	Very high	79 Å²	79	37.7 Å²	37.7	31%	0.31	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	15.8	-175.2	-53.5	-59.2	0	0	0	115.2	I54 P85 R381	Y40-I54 VanDerWaalsContact CA-O 3.24Å; Y40-I54 WeakPolarHBondContact CA-O 3.4Å; Y40-I54 PolarHBondContact N-O 3.14Å; Y40-P85 VanDerWaalsContact O-CA 3.29Å; Y40-P85 WeakPolarHBondContact O-CA 3.41Å; Y40-R381 PolarHBondContact OH-NH2 2.92Å
41	E	91.6	Very high	90.8	Very high	11 Å²	11	36.2 Å²	36.2	5%	0.051	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	141.3	172.5	-167.1	-168.2	145.6	0	0	110.7	A37 A38 M39 E53 I54 R81 T82 G83	A37-E41 WeakPolarHBondContact CA-OE2 3.49Å; A38-E41 HydrophobicContact CB-CB 4.26Å; A38-E41 PolarHBondContact N-OE2 3.33Å; A38-E41 WeakPolarHBondContact O-CB 3.16Å; A38-E41 PolarHBondContact O-N 2.94Å; M39-E41 PolarHBondContact O-N 3.46Å; E41-E53 WeakPolarHBondContact O-CA 3.44Å; E41-I54 HydrophobicContact CB-CD1 4.32Å; E41-I54 PolarHBondContact O-N 3.44Å; E41-R81 WeakPolarHBondContact OE1-CB 3.49Å; E41-T82 PolarHBondContact OE1-N 3.08Å; E41-G83 VanDerWaalsContact OE1-CA 3.27Å; E41-G83 WeakPolarHBondContact OE1-CA 3.38Å; E41-G83 PolarHBondContact OE1-N 2.89Å
42	L	91.8	Very high	90.6	Very high	8 Å²	8	36.2 Å²	36.2	4%	0.042	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	138.7	175.5	-167.4	143.2	0	0	0	110	L6 V51 G52 T82 K84 L86	L6-L42 HydrophobicContact CD1-CD2 4.07Å; L42-V51 HydrophobicContact CD1-CG1 3.74Å; L42-V51 HydrophobicContact CD2-CG1 4.04Å; L42-V51 HydrophobicContact CG-CG1 3.89Å; L42-G52 CarbonylContact C-O 3.57Å; L42-G52 VanDerWaalsContact CA-O 3.32Å; L42-G52 WeakPolarHBondContact CA-O 3.28Å; L42-T82 HydrophobicContact CD2-CG2 3.75Å; L42-T82 WeakPolarHBondContact O-CB 3.46Å; L42-T82 WeakPolarHBondContact O-CG2 3.23Å; L42-T82 PolarHBondContact O-N 3.24Å; L42-T82 PolarHBondContact O-OG1 2.71Å; L42-K84 WeakPolarHBondContact CB-O 3.44Å; L42-K84 PolarHBondContact N-O 3.39Å; L42-L86 HydrophobicContact CD1-CB 4.33Å; L42-L86 HydrophobicContact CD1-CD1 3.71Å
43	V	92.2	Very high	90.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	157.8	-179.6	-63.8	0	0	0	0	110.4	M34 V45 G52 I54 I64 V79 L80 R81	M34-V43 HydrophobicContact CE-CG1 4.03Å; V43-V45 HydrophobicContact CG2-CG2 3.97Å; V43-G52 PolarHBondContact N-O 2.95Å; V43-G52 PolarHBondContact O-N 3.44Å; V43-I54 HydrophobicContact CG1-CD1 3.67Å; V43-I54 HydrophobicContact CG1-CG1 3.87Å; V43-I64 HydrophobicContact CG2-CB 4.39Å; V43-I64 HydrophobicContact CG2-CD1 4.03Å; V43-I64 HydrophobicContact CG2-CG1 4.07Å; V43-I64 HydrophobicContact CG2-CG2 3.41Å; V43-I64 VanDerWaalsContact CG2-CG2 3.41Å; V43-V79 HydrophobicContact CB-CG1 4.06Å; V43-V79 HydrophobicContact CG2-CG1 4.33Å; V43-L80 CarbonylContact C-O 3.42Å; V43-L80 VanDerWaalsContact CA-O 3.23Å; V43-L80 WeakPolarHBondContact CA-O 3.42Å; V43-L80 WeakPolarHBondContact CB-O 3.21Å; V43-R81 HydrophobicContact CG1-CG 4.36Å
44	R	91.8	Very high	90.5	Very high	12 Å²	12	32.5 Å²	32.5	5%	0.045	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	113.3	173	-62.1	-66.1	-172.8	158.5	-2.5	108.7	E49 L50 V79 L80	R44-E49 HydrophobicContact CB-CB 4.22Å; R44-E49 WeakPolarHBondContact CD-O 3.49Å; R44-E49 PolarHBondContact NH1-O 2.91Å; R44-L50 CarbonylContact C-O 3.6Å; R44-L50 WeakPolarHBondContact CA-O 3.24Å; R44-V79 CarbonylContact O-C 3.54Å; R44-V79 WeakPolarHBondContact O-CA 3.35Å; R44-L80 HydrophobicContact CB-CB 4.25Å; R44-L80 PolarHBondContact N-O 2.8Å; R44-L80 PolarHBondContact O-N 3.22Å
45	V	92.3	Very high	90.6	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	130.2	-173.5	-177.9	0	0	0	0	110.3	V21 V29 V43 L50 I64 V66 V73 V79	V21-V45 HydrophobicContact CG2-CG1 4.01Å; V29-V45 HydrophobicContact CG1-CG1 4.1Å; V29-V45 HydrophobicContact CG2-CG1 4.44Å; V43-V45 HydrophobicContact CG2-CG2 3.97Å; V45-L50 PolarHBondContact N-O 3.43Å; V45-L50 WeakPolarHBondContact O-CB 3.31Å; V45-L50 PolarHBondContact O-N 2.74Å; V45-I64 HydrophobicContact CG2-CD1 4.4Å; V45-I64 HydrophobicContact CG2-CG2 4Å; V45-V66 HydrophobicContact CG2-CG2 4.25Å; V45-V73 HydrophobicContact CG1-CG1 4.28Å; V45-V79 HydrophobicContact CG1-CG2 4.26Å; V45-V79 HydrophobicContact CG2-CG1 4.21Å; V45-V79 HydrophobicContact CG2-CG2 4.47Å
46	G	90.9	Very high	90.7	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.01	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	170.5	173.3	0	0	0	0	0	114.2	I9 S48 E49 P78	I9-G46 WeakPolarHBondContact CD1-O 3.35Å; G46-S48 PolarHBondContact O-N 3.33Å; G46-E49 PolarHBondContact O-N 3.23Å; G46-P78 PolarHBondContact N-O 3.22Å
47	H	88.1	Confident	91.1	Very high	142 Å²	142	34.8 Å²	34.8	66%	0.657	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-22.9	178.3	-63.8	-58.1	0	0	0	113.9	E49 D77	H47-E49 VanDerWaalsContact C-N 3.3Å; H47-D77 IonicContact CD2-OD1 3.5Å; H47-D77 IonicContact NE2-OD1 3.56Å
48	S	87	Confident	91.2	Very high	66 Å²	66	38.7 Å²	38.7	46%	0.462	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	1.7	174	-55.6	0	0	0	0	113.1	G46 L50 G121	G46-S48 PolarHBondContact O-N 3.33Å; S48-L50 VanDerWaalsContact C-N 3.32Å; S48-L50 PolarHBondContact O-N 3.17Å; S48-G121 WeakPolarHBondContact O-CA 3.45Å
49	E	90.1	Very high	91.1	Very high	25 Å²	25	40.2 Å²	40.2	12%	0.117	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	44.3	177.3	-60.7	-175.9	170.8	0	0	113.9	K8 I9 R44 G46 H47 V51	K8-E49 WeakPolarHBondContact CB-OE1 3.37Å; I9-E49 HydrophobicContact CD1-CG 3.73Å; I9-E49 HydrophobicContact CG1-CG 3.96Å; I9-E49 PolarHBondContact N-OE1 3.35Å; R44-E49 HydrophobicContact CB-CB 4.22Å; R44-E49 WeakPolarHBondContact CD-O 3.49Å; R44-E49 PolarHBondContact NH1-O 2.91Å; G46-E49 PolarHBondContact O-N 3.23Å; H47-E49 VanDerWaalsContact C-N 3.3Å; E49-V51 PolarHBondContact O-N 3.23Å
50	L	92	Very high	91.1	Very high	5 Å²	5	38.7 Å²	38.7	3%	0.026	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	133.9	179.1	-53.3	179.8	0	0	0	109.6	R44 V45 S48 G52 V66 E68 V73 R120	R44-L50 CarbonylContact C-O 3.6Å; R44-L50 WeakPolarHBondContact CA-O 3.24Å; V45-L50 PolarHBondContact N-O 3.43Å; V45-L50 WeakPolarHBondContact O-CB 3.31Å; V45-L50 PolarHBondContact O-N 2.74Å; S48-L50 VanDerWaalsContact C-N 3.32Å; S48-L50 PolarHBondContact O-N 3.17Å; L50-G52 PolarHBondContact O-N 3.32Å; L50-V66 HydrophobicContact CB-CG1 3.84Å; L50-V66 HydrophobicContact CD1-CG1 4.23Å; L50-E68 HydrophobicContact CB-CB 4.45Å; L50-E68 HydrophobicContact CD2-CB 4.17Å; L50-E68 VanDerWaalsContact CD2-OE2 3.24Å; L50-E68 WeakPolarHBondContact CD2-OE2 3.37Å; L50-V73 HydrophobicContact CD1-CG2 3.63Å; L50-R120 HydrophobicContact CD2-CB 4.07Å
51	V	91.4	Very high	91.2	Very high	9 Å²	9	38.4 Å²	38.4	6%	0.055	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	126.5	178.6	-173	0	0	0	0	109.4	L42 E49 Y67 I102	L42-V51 HydrophobicContact CD1-CG1 3.74Å; L42-V51 HydrophobicContact CD2-CG1 4.04Å; L42-V51 HydrophobicContact CG-CG1 3.89Å; E49-V51 PolarHBondContact O-N 3.23Å; V51-Y67 HydrophobicContact CG1-CD2 4.02Å; V51-Y67 PolarHBondContact O-N 3.34Å; V51-I102 HydrophobicContact CB-CD1 4.37Å; V51-I102 HydrophobicContact CG2-CD1 4.04Å
52	G	91.6	Very high	91.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	168	171.5	0	0	0	0	0	112.7	L42 V43 L50 Q65	L42-G52 CarbonylContact C-O 3.57Å; L42-G52 VanDerWaalsContact CA-O 3.32Å; L42-G52 WeakPolarHBondContact CA-O 3.28Å; V43-G52 PolarHBondContact N-O 2.95Å; V43-G52 PolarHBondContact O-N 3.44Å; L50-G52 PolarHBondContact O-N 3.32Å; G52-Q65 CarbonylContact C-O 3.56Å; G52-Q65 WeakPolarHBondContact CA-O 3.18Å
53	E	92.1	Very high	91.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	135.6	175.9	-176.6	-180	-149	0	0	110.2	E41 I64 Q65 Y67 R212	E41-E53 WeakPolarHBondContact O-CA 3.44Å; E53-I64 CarbonylContact O-C 3.58Å; E53-I64 WeakPolarHBondContact O-CA 3.49Å; E53-Q65 PolarHBondContact N-O 3.43Å; E53-Q65 PolarHBondContact O-N 2.99Å; E53-Y67 HydrophobicContact CB-CE2 3.71Å; E53-Y67 PolarHBondContact OE2-OH 3.49Å; E53-R212 IonicContact OE1-CZ 3.29Å; E53-R212 IonicContact OE1-NE 2.73Å; E53-R212 PolarHBondContact OE1-NE 3.22Å; E53-R212 IonicContact OE1-NH2 3.75Å; E53-R212 IonicContact OE2-CZ 3.74Å; E53-R212 IonicContact OE2-NE 3.56Å; E53-R212 IonicContact OE2-NH2 2.75Å; E53-R212 PolarHBondContact OE2-NH2 3.29Å
54	I	93.1	Very high	91.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	126	176.7	-66.4	169.5	0	0	0	109.7	M34 A37 Y40 E41 V43 L57 A62 I64	M34-I54 HydrophobicContact CE-CD1 3.78Å; A37-I54 HydrophobicContact CB-CD1 3.49Å; A37-I54 VanDerWaalsContact CB-CD1 3.49Å; Y40-I54 VanDerWaalsContact CA-O 3.24Å; Y40-I54 WeakPolarHBondContact CA-O 3.4Å; Y40-I54 PolarHBondContact N-O 3.14Å; E41-I54 HydrophobicContact CB-CD1 4.32Å; E41-I54 PolarHBondContact O-N 3.44Å; V43-I54 HydrophobicContact CG1-CD1 3.67Å; V43-I54 HydrophobicContact CG1-CG1 3.87Å; I54-L57 HydrophobicContact CG2-CD1 4.49Å; I54-L57 HydrophobicContact CG2-CD2 3.81Å; I54-L57 HydrophobicContact CG2-CG 3.93Å; I54-A62 HydrophobicContact CD1-CB 4.43Å; I54-A62 HydrophobicContact CG1-CB 4.43Å; I54-A62 HydrophobicContact CG2-CB 4.3Å; I54-I64 HydrophobicContact CG1-CG1 3.89Å
55	I	90.9	Very high	91.6	Very high	27 Å²	27	37.6 Å²	37.6	14%	0.138	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	-24.9	-177.1	52.9	169.8	0	0	0	113.4	T63 Q65 L365	I55-T63 HydrophobicContact CD1-CG2 4.21Å; I55-T63 HydrophobicContact CG1-CG2 4.16Å; I55-T63 VanDerWaalsContact CG1-O 3.24Å; I55-T63 WeakPolarHBondContact CG1-O 3.24Å; I55-T63 PolarHBondContact N-O 3.3Å; I55-Q65 HydrophobicContact CD1-CB 4.05Å; I55-Q65 HydrophobicContact CG1-CB 4.46Å; I55-Q65 HydrophobicContact CG2-CB 4.07Å; I55-L365 HydrophobicContact CD1-CD1 3.89Å; I55-L365 HydrophobicContact CD1-CD2 3.63Å; I55-L365 HydrophobicContact CD1-CG 4.11Å
56	R	90.9	Very high	91.6	Very high	97 Å²	97	37.6 Å²	37.6	37%	0.366	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	144.4	177.5	-166.9	172.8	70.9	-177.7	18.7	110.5	E58 A62 T63	R56-E58 HydrophobicContact CG-CG 4.48Å; R56-E58 IonicContact CZ-OE1 2.76Å; R56-E58 IonicContact NE-OE1 2.73Å; R56-E58 PolarHBondContact NE-OE1 3.22Å; R56-E58 IonicContact NH1-OE1 3.55Å; R56-E58 IonicContact NH2-OE1 3.57Å; R56-E58 PolarHBondContact NH2-OE1 3.49Å; R56-A62 WeakPolarHBondContact O-CA 3.2Å; R56-T63 PolarHBondContact N-O 3.46Å; R56-T63 PolarHBondContact O-N 3.42Å
57	L	92.5	Very high	91.5	Very high	69 Å²	69	37.7 Å²	37.7	36%	0.361	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	125.4	177.4	-68.7	166.7	0	0	0	108.7	A37 I54 A62	A37-L57 HydrophobicContact CB-CD2 4.42Å; A37-L57 WeakPolarHBondContact O-CD1 3.49Å; I54-L57 HydrophobicContact CG2-CD1 4.49Å; I54-L57 HydrophobicContact CG2-CD2 3.81Å; I54-L57 HydrophobicContact CG2-CG 3.93Å; L57-A62 HydrophobicContact CD2-CB 3.64Å
58	E	91.7	Very high	91.6	Very high	96 Å²	96	31.6 Å²	31.6	45%	0.449	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	93.5	178.7	-73.3	177.7	-163.9	0	0	109.3	R56 D60 M61	R56-E58 HydrophobicContact CG-CG 4.48Å; R56-E58 IonicContact CZ-OE1 2.76Å; R56-E58 IonicContact NE-OE1 2.73Å; R56-E58 PolarHBondContact NE-OE1 3.22Å; R56-E58 IonicContact NH1-OE1 3.55Å; R56-E58 IonicContact NH2-OE1 3.57Å; R56-E58 PolarHBondContact NH2-OE1 3.49Å; E58-D60 PolarHBondContact O-N 3.44Å; E58-D60 VanDerWaalsContact O-N 3.14Å; E58-M61 PolarHBondContact N-O 2.92Å; E58-M61 PolarHBondContact O-N 3.41Å
59	G	90.3	Very high	91.6	Very high	85 Å²	85	33.9 Å²	33.9	88%	0.876	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.8	-114.5	-174.5	0	0	0	0	0	111.2
60	D	90.7	Very high	91.6	Very high	80 Å²	80	33.7 Å²	33.7	43%	0.428	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97	0.3	178.1	-171.9	44.3	0	0	0	113.4	A33 M34 A35 E58	A33-D60 WeakPolarHBondContact CA-OD1 3.44Å; A33-D60 VanDerWaalsContact CA-OD2 3.24Å; A33-D60 WeakPolarHBondContact CA-OD2 3.37Å; A33-D60 PolarHBondContact N-O 3.37Å; A33-D60 PolarHBondContact N-OD2 3.48Å; A33-D60 VanDerWaalsContact N-OD2 3.09Å; M34-D60 PolarHBondContact N-O 2.83Å; M34-D60 VanDerWaalsContact N-O 3.16Å; M34-D60 PolarHBondContact N-OD1 3.01Å; M34-D60 VanDerWaalsContact N-OD1 3.15Å; A35-D60 WeakPolarHBondContact CB-OD1 3.41Å; A35-D60 PolarHBondContact N-OD1 3.27Å; E58-D60 PolarHBondContact O-N 3.44Å; E58-D60 VanDerWaalsContact O-N 3.14Å
61	M	93.1	Very high	91.5	Very high	73 Å²	73	37.4 Å²	37.4	36%	0.36	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	136	174.6	-68.9	-171.9	-68.4	0	0	111.3	T30 A31 T32 E58	T30-M61 HydrophobicContact CG2-CB 4.47Å; T30-M61 HydrophobicContact CG2-SD 4.35Å; A31-M61 CarbonylContact O-C 3.55Å; A31-M61 VanDerWaalsContact O-CA 3.29Å; A31-M61 WeakPolarHBondContact O-CA 3.27Å; T32-M61 HydrophobicContact CG2-CG 3.74Å; T32-M61 HydrophobicContact CG2-SD 4.21Å; E58-M61 PolarHBondContact N-O 2.92Å; E58-M61 PolarHBondContact O-N 3.41Å
62	A	94.4	Very high	91.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	131.1	171.5	0	0	0	0	0	110.2	T30 A31 M34 I54 R56 L57 I64	T30-A62 WeakPolarHBondContact CA-O 3.29Å; A31-A62 PolarHBondContact N-O 2.86Å; A31-A62 PolarHBondContact O-N 3.07Å; M34-A62 HydrophobicContact CB-CB 3.71Å; M34-A62 HydrophobicContact CE-CB 4.33Å; M34-A62 HydrophobicContact CG-CB 3.84Å; I54-A62 HydrophobicContact CD1-CB 4.43Å; I54-A62 HydrophobicContact CG1-CB 4.43Å; I54-A62 HydrophobicContact CG2-CB 4.3Å; R56-A62 WeakPolarHBondContact O-CA 3.2Å; L57-A62 HydrophobicContact CD2-CB 3.64Å; A62-I64 HydrophobicContact CB-CG1 4.49Å
63	T	93.9	Very high	91.4	Very high	9 Å²	9	41 Å²	41	6%	0.055	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	120.6	167.4	-49.8	0	0	0	0	108.3	V28 I55 R56 L365	V28-T63 HydrophobicContact CG1-CG2 3.33Å; I55-T63 HydrophobicContact CD1-CG2 4.21Å; I55-T63 HydrophobicContact CG1-CG2 4.16Å; I55-T63 VanDerWaalsContact CG1-O 3.24Å; I55-T63 WeakPolarHBondContact CG1-O 3.24Å; I55-T63 PolarHBondContact N-O 3.3Å; R56-T63 PolarHBondContact N-O 3.46Å; R56-T63 PolarHBondContact O-N 3.42Å; T63-L365 HydrophobicContact CG2-CD2 4.03Å
64	I	94.1	Very high	91.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	132.6	-174.4	-60	156.5	0	0	0	108.6	V28 V29 A31 M34 V43 V45 E53 I54 A62 V66 V79	V28-I64 WeakPolarHBondContact CA-O 3.5Å; V29-I64 HydrophobicContact CB-CB 4.5Å; V29-I64 PolarHBondContact N-O 2.65Å; V29-I64 WeakPolarHBondContact O-CA 3.45Å; V29-I64 WeakPolarHBondContact O-CB 3.49Å; V29-I64 PolarHBondContact O-N 3.2Å; A31-I64 HydrophobicContact CB-CD1 3.63Å; M34-I64 HydrophobicContact CE-CD1 4.4Å; V43-I64 HydrophobicContact CG2-CB 4.39Å; V43-I64 HydrophobicContact CG2-CD1 4.03Å; V43-I64 HydrophobicContact CG2-CG1 4.07Å; V43-I64 HydrophobicContact CG2-CG2 3.41Å; V43-I64 VanDerWaalsContact CG2-CG2 3.41Å; V45-I64 HydrophobicContact CG2-CD1 4.4Å; V45-I64 HydrophobicContact CG2-CG2 4Å; E53-I64 CarbonylContact O-C 3.58Å; E53-I64 WeakPolarHBondContact O-CA 3.49Å; I54-I64 HydrophobicContact CG1-CG1 3.89Å; A62-I64 HydrophobicContact CB-CG1 4.49Å; I64-V66 HydrophobicContact CG2-CG2 4.37Å; I64-V79 HydrophobicContact CD1-CG1 3.75Å
65	Q	92.1	Very high	91.5	Very high	5 Å²	5	49 Å²	49	2%	0.023	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	120.5	169.6	-178.1	175.3	-8.2	0	0	109.3	G52 E53 I55 A321	G52-Q65 CarbonylContact C-O 3.56Å; G52-Q65 WeakPolarHBondContact CA-O 3.18Å; E53-Q65 PolarHBondContact N-O 3.43Å; E53-Q65 PolarHBondContact O-N 2.99Å; I55-Q65 HydrophobicContact CD1-CB 4.05Å; I55-Q65 HydrophobicContact CG1-CB 4.46Å; I55-Q65 HydrophobicContact CG2-CB 4.07Å; Q65-A321 HydrophobicContact CG-CB 3.77Å
66	V	92.4	Very high	91.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	132.4	-179	-174.1	0	0	0	0	109.8	P27 V29 V45 L50 I64 E68 T70	P27-V66 PolarHBondContact O-N 3.1Å; V29-V66 HydrophobicContact CB-CG2 4.22Å; V29-V66 HydrophobicContact CG2-CG2 3.59Å; V45-V66 HydrophobicContact CG2-CG2 4.25Å; L50-V66 HydrophobicContact CB-CG1 3.84Å; L50-V66 HydrophobicContact CD1-CG1 4.23Å; I64-V66 HydrophobicContact CG2-CG2 4.37Å; V66-E68 HydrophobicContact CG1-CB 4.34Å; V66-E68 PolarHBondContact O-N 3.38Å; V66-T70 HydrophobicContact CB-CG2 3.62Å; V66-T70 HydrophobicContact CG1-CG2 3.92Å; V66-T70 HydrophobicContact CG2-CG2 3.79Å
67	Y	89.8	Confident	91.6	Very high	4 Å²	4	46 Å²	46	2%	0.016	30%	0.3	C	S	.	.	S	Bend	trans	-82.2	-2.8	179.5	-71.8	-65	0	0	0	113.8	V51 E53 L86 I102 P319 A321 A325	V51-Y67 HydrophobicContact CG1-CD2 4.02Å; V51-Y67 PolarHBondContact O-N 3.34Å; E53-Y67 HydrophobicContact CB-CE2 3.71Å; E53-Y67 PolarHBondContact OE2-OH 3.49Å; Y67-L86 HydrophobicContact CE2-CD2 4.32Å; Y67-I102 HydrophobicContact CD1-CG2 4.43Å; Y67-I102 HydrophobicContact CD2-CG2 4.38Å; Y67-I102 HydrophobicContact CG-CG2 4.1Å; Y67-P319 VanDerWaalsContact O-CB 3.3Å; Y67-P319 WeakPolarHBondContact O-CB 3.42Å; Y67-P319 VanDerWaalsContact O-CG 3.28Å; Y67-P319 WeakPolarHBondContact O-CG 3.21Å; Y67-A321 VanDerWaalsContact CD1-C 3.43Å; Y67-A321 HydrophobicContact CD1-CB 3.34Å; Y67-A321 HydrophobicContact CE1-CB 3.66Å; Y67-A321 VanDerWaalsContact CE1-O 3.29Å; Y67-A321 WeakPolarHBondContact CE1-O 3.44Å; Y67-A321 HydrophobicContact CG-CB 4.25Å; Y67-A325 HydrophobicContact CD1-CB 4.33Å; Y67-A325 HydrophobicContact CE1-CB 3.83Å
68	E	89	Confident	91.7	Very high	14 Å²	14	43.5 Å²	43.5	7%	0.065	29%	0.288	C	S	.	.	S	Bend	trans	-123.9	171	179.4	-64.9	-168.6	-169.6	0	0	111.2	L50 V66 T70 R104 G121	L50-E68 HydrophobicContact CB-CB 4.45Å; L50-E68 HydrophobicContact CD2-CB 4.17Å; L50-E68 VanDerWaalsContact CD2-OE2 3.24Å; L50-E68 WeakPolarHBondContact CD2-OE2 3.37Å; V66-E68 HydrophobicContact CG1-CB 4.34Å; V66-E68 PolarHBondContact O-N 3.38Å; E68-T70 PolarHBondContact O-N 2.99Å; E68-R104 IonicContact OE1-CZ 2.87Å; E68-R104 IonicContact OE1-NH1 3.7Å; E68-R104 PolarHBondContact OE1-NH1 3.41Å; E68-R104 IonicContact OE1-NH2 2.68Å; E68-G121 PolarHBondContact OE2-N 2.8Å
69	E	87.8	Confident	91.8	Very high	114 Å²	114	38.9 Å²	38.9	53%	0.533	27%	0.267	S	S	.	.			trans	-67.9	124.7	173	-69.5	-172.4	173.4	0	0	111.3	S71	E69-S71 PolarHBondContact O-N 2.97Å
70	T	90.1	Very high	91.8	Very high	20 Å²	20	34.9 Å²	34.9	12%	0.123	23%	0.225	C	C	.	.			trans	-82.3	4.5	179.9	53.9	0	0	0	0	113.8	G26 V29 V66 E68 G72 V73	G26-T70 WeakPolarHBondContact O-CB 3.31Å; G26-T70 WeakPolarHBondContact O-CG2 3.44Å; G26-T70 PolarHBondContact O-OG1 2.7Å; V29-T70 HydrophobicContact CG2-CG2 3.97Å; V66-T70 HydrophobicContact CB-CG2 3.62Å; V66-T70 HydrophobicContact CG1-CG2 3.92Å; V66-T70 HydrophobicContact CG2-CG2 3.79Å; E68-T70 PolarHBondContact O-N 2.99Å; T70-G72 PolarHBondContact O-N 3.11Å; T70-V73 WeakPolarHBondContact O-CB 3.33Å; T70-V73 WeakPolarHBondContact O-CG2 3.45Å; T70-V73 PolarHBondContact O-N 3.06Å
71	S	89.4	Confident	91.7	Very high	83 Å²	83	32.9 Å²	32.9	58%	0.58	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	121.8	179.9	-178.1	0	0	0	0	110.7	E69 R120	E69-S71 PolarHBondContact O-N 2.97Å; S71-R120 PolarHBondContact O-NH1 3.15Å
72	G	87.7	Confident	91.4	Very high	70 Å²	70	30.1 Å²	30.1	72%	0.722	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.1	0.4	-178.1	0	0	0	0	0	115.6	T70	T70-G72 PolarHBondContact O-N 3.11Å
73	V	92.7	Very high	91	Very high	16 Å²	16	33.1 Å²	33.1	10%	0.097	23%	0.229	C	C	.	.			trans	-71.6	130.1	164.4	177.9	0	0	0	0	108.8	V21 V45 L50 T70 D77	V21-V73 HydrophobicContact CG1-CG1 4.3Å; V21-V73 HydrophobicContact CG2-CG1 4.1Å; V45-V73 HydrophobicContact CG1-CG1 4.28Å; L50-V73 HydrophobicContact CD1-CG2 3.63Å; T70-V73 WeakPolarHBondContact O-CB 3.33Å; T70-V73 WeakPolarHBondContact O-CG2 3.45Å; T70-V73 PolarHBondContact O-N 3.06Å; V73-D77 HydrophobicContact CG1-CB 4.47Å
74	S	93.7	Very high	90.7	Very high	65 Å²	65	36.3 Å²	36.3	46%	0.455	24%	0.242	S	C	.	.			trans	-111.8	159.5	-177.6	-62.3	0	0	0	0	112.1	D77	S74-D77 PolarHBondContact N-OD2 3.18Å; S74-D77 VanDerWaalsContact O-CB 3.25Å; S74-D77 WeakPolarHBondContact O-CB 3.46Å; S74-D77 VanDerWaalsContact O-CG 3.24Å; S74-D77 PolarHBondContact O-N 2.89Å
75	V	94.3	Very high	90.6	Very high	102 Å²	102	39 Å²	39	62%	0.618	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	133.7	172.1	179.4	0	0	0	0	108.8	V21	V21-V75 WeakPolarHBondContact O-CG1 3.41Å
76	G	91.3	Very high	90.5	Very high	44 Å²	44	39.3 Å²	39.3	45%	0.454	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.2	-6.3	-173.7	0	0	0	0	0	114.3	V21	V21-G76 PolarHBondContact O-N 3.42Å
77	D	93.6	Very high	90.5	Very high	16 Å²	16	39.9 Å²	39.9	9%	0.086	27%	0.266	C	S	.	.			trans	-61.2	142.2	174.4	-82.6	7.1	0	0	0	111.2	Y20 V21 H47 V73 S74	Y20-D77 CarbonylContact C-O 3.57Å; Y20-D77 WeakPolarHBondContact CA-O 3.49Å; V21-D77 HydrophobicContact CB-CB 4.21Å; V21-D77 HydrophobicContact CG2-CB 3.88Å; V21-D77 WeakPolarHBondContact CG2-O 3.43Å; V21-D77 PolarHBondContact N-O 3.35Å; H47-D77 IonicContact CD2-OD1 3.5Å; H47-D77 IonicContact NE2-OD1 3.56Å; V73-D77 HydrophobicContact CG1-CB 4.47Å; S74-D77 PolarHBondContact N-OD2 3.18Å; S74-D77 VanDerWaalsContact O-CB 3.25Å; S74-D77 WeakPolarHBondContact O-CB 3.46Å; S74-D77 VanDerWaalsContact O-CG 3.24Å; S74-D77 PolarHBondContact O-N 2.89Å
78	P	93	Very high	90.8	Very high	17 Å²	17	39.7 Å²	39.7	11%	0.11	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	146.4	179.9	27.7	-34.6	0	0	0	112.2	I9 F18 G46	I9-P78 HydrophobicContact CD1-CB 4.44Å; I9-P78 HydrophobicContact CD1-CG 4Å; I9-P78 HydrophobicContact CG2-CG 4.24Å; F18-P78 HydrophobicContact CD1-CB 4.28Å; G46-P78 PolarHBondContact N-O 3.22Å
79	V	93.6	Very high	91.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	113	173.4	-178.6	0	0	0	0	109.1	F18 G19 V21 A31 M34 V43 R44 V45 I64	F18-V79 WeakPolarHBondContact CA-O 3.28Å; G19-V79 PolarHBondContact N-O 3.37Å; G19-V79 PolarHBondContact O-N 3.44Å; V21-V79 HydrophobicContact CG2-CG2 3.65Å; A31-V79 HydrophobicContact CB-CB 4.38Å; A31-V79 HydrophobicContact CB-CG2 3.92Å; M34-V79 HydrophobicContact CE-CG1 4.01Å; M34-V79 HydrophobicContact SD-CB 4.35Å; M34-V79 HydrophobicContact SD-CG1 4.09Å; V43-V79 HydrophobicContact CB-CG1 4.06Å; V43-V79 HydrophobicContact CG2-CG1 4.33Å; R44-V79 CarbonylContact O-C 3.54Å; R44-V79 WeakPolarHBondContact O-CA 3.35Å; V45-V79 HydrophobicContact CG1-CG2 4.26Å; V45-V79 HydrophobicContact CG2-CG1 4.21Å; V45-V79 HydrophobicContact CG2-CG2 4.47Å; I64-V79 HydrophobicContact CD1-CG1 3.75Å
80	L	90.9	Very high	91.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	133.6	179.9	176.5	64.7	0	0	0	111.3	P7 K8 I9 E12 F18 V43 R44	P7-L80 HydrophobicContact CB-CD2 4.05Å; P7-L80 HydrophobicContact CG-CD2 4.28Å; P7-L80 WeakPolarHBondContact O-CD2 3.37Å; K8-L80 WeakPolarHBondContact O-CD2 3.46Å; I9-L80 HydrophobicContact CG1-CB 4.05Å; I9-L80 HydrophobicContact CG1-CD2 4.2Å; E12-L80 HydrophobicContact CB-CD1 4.29Å; E12-L80 HydrophobicContact CG-CD1 4.36Å; F18-L80 HydrophobicContact CD1-CB 4.07Å; F18-L80 HydrophobicContact CD1-CD1 4.14Å; F18-L80 HydrophobicContact CE1-CB 3.95Å; F18-L80 HydrophobicContact CE1-CD1 3.8Å; F18-L80 HydrophobicContact CE1-CD2 4.44Å; F18-L80 HydrophobicContact CE1-CG 4.29Å; F18-L80 HydrophobicContact CZ-CD1 4.21Å; V43-L80 CarbonylContact C-O 3.42Å; V43-L80 VanDerWaalsContact CA-O 3.23Å; V43-L80 WeakPolarHBondContact CA-O 3.42Å; V43-L80 WeakPolarHBondContact CB-O 3.21Å; R44-L80 HydrophobicContact CB-CB 4.25Å; R44-L80 PolarHBondContact N-O 2.8Å; R44-L80 PolarHBondContact O-N 3.22Å
81	R	89.4	Confident	91.6	Very high	38 Å²	38	32.8 Å²	32.8	14%	0.143	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	140.7	177.9	-68	-179.7	-65.6	169.6	-11.6	110.9	S16 E17 M34 A35 G36 E41 V43	S16-R81 PolarHBondContact O-NH2 3.17Å; S16-R81 VanDerWaalsContact O-NH2 3.12Å; E17-R81 PolarHBondContact O-NE 3.02Å; E17-R81 PolarHBondContact O-NH2 3.43Å; M34-R81 HydrophobicContact CE-CG 3.59Å; M34-R81 HydrophobicContact SD-CG 4.2Å; A35-R81 PolarHBondContact O-NH1 2.93Å; G36-R81 VanDerWaalsContact C-NH1 3.25Å; E41-R81 WeakPolarHBondContact OE1-CB 3.49Å; V43-R81 HydrophobicContact CG1-CG 4.36Å
82	T	85.6	Confident	91.8	Very high	16 Å²	16	28.9 Å²	28.9	10%	0.098	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	-12.6	-179.2	68.1	0	0	0	0	114	L6 E41 L42 K84	L6-T82 HydrophobicContact CD1-CG2 4.36Å; L6-T82 HydrophobicContact CD2-CG2 3.95Å; E41-T82 PolarHBondContact OE1-N 3.08Å; L42-T82 HydrophobicContact CD2-CG2 3.75Å; L42-T82 WeakPolarHBondContact O-CB 3.46Å; L42-T82 WeakPolarHBondContact O-CG2 3.23Å; L42-T82 PolarHBondContact O-N 3.24Å; L42-T82 PolarHBondContact O-OG1 2.71Å; T82-K84 PolarHBondContact O-N 3.4Å; T82-K84 PolarHBondContact OG1-N 3.02Å; T82-K84 PolarHBondContact OG1-O 3.35Å
83	G	86.1	Confident	92	Very high	62 Å²	62	26.1 Å²	26.1	64%	0.639	18%	0.176	S	C	*	.	E	Extended strand (participates in β ladder)	trans	67.6	6.5	-175.5	0	0	0	0	0	114.4	E41	E41-G83 VanDerWaalsContact OE1-CA 3.27Å; E41-G83 WeakPolarHBondContact OE1-CA 3.38Å; E41-G83 PolarHBondContact OE1-N 2.89Å
84	K	87.4	Confident	92.1	Very high	76 Å²	76	25.4 Å²	25.4	33%	0.33	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	144.8	-172.9	-67.1	175.1	-175.1	165.7	0	111.3	M1 L42 T82	M1-K84 PolarHBondContact SD-NZ 3.01Å; L42-K84 WeakPolarHBondContact CB-O 3.44Å; L42-K84 PolarHBondContact N-O 3.39Å; T82-K84 PolarHBondContact O-N 3.4Å; T82-K84 PolarHBondContact OG1-N 3.02Å; T82-K84 PolarHBondContact OG1-O 3.35Å
85	P	92.4	Very high	92	Very high	58 Å²	58	22.8 Å²	22.8	38%	0.377	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	165.8	173.4	32.5	-36.3	0	0	0	111.5	Y40 S87 P210	Y40-P85 VanDerWaalsContact O-CA 3.29Å; Y40-P85 WeakPolarHBondContact O-CA 3.41Å; P85-S87 PolarHBondContact O-N 3.04Å; P85-S87 PolarHBondContact O-OG 3.49Å; P85-P210 HydrophobicContact CG-CB 3.92Å; P85-P210 HydrophobicContact CG-CG 3.99Å
86	L	90.8	Very high	91.8	Very high	10 Å²	10	19.4 Å²	19.4	5%	0.052	14%	0.138	C	C	.	.	S	Bend	trans	-52.7	118.5	170.8	179.7	64.9	0	0	0	109.9	L42 Y67 P210 V211 A325	L42-L86 HydrophobicContact CD1-CB 4.33Å; L42-L86 HydrophobicContact CD1-CD1 3.71Å; Y67-L86 HydrophobicContact CE2-CD2 4.32Å; L86-P210 WeakPolarHBondContact O-CA 2.86Å; L86-V211 HydrophobicContact CB-CG2 4.24Å; L86-V211 HydrophobicContact CD2-CG2 3.79Å; L86-V211 HydrophobicContact CG-CG2 3.87Å; L86-V211 PolarHBondContact O-N 3.29Å; L86-A325 HydrophobicContact CD2-CB 3.9Å
87	S	92.5	Very high	91.8	Very high	12 Å²	12	19 Å²	19	8%	0.084	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	157.9	-174.4	-56.3	0	0	0	0	109.9	L3 P85 W209	L3-S87 WeakPolarHBondContact CD1-O 3.28Å; P85-S87 PolarHBondContact O-N 3.04Å; P85-S87 PolarHBondContact O-OG 3.49Å; S87-W209 CarbonylContact C-O 3.53Å; S87-W209 VanDerWaalsContact CA-O 3.23Å; S87-W209 WeakPolarHBondContact CA-O 3.36Å; S87-W209 WeakPolarHBondContact CB-O 3.13Å
88	V	94.8	Very high	91.8	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.006	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	146.7	179.4	-71.6	0	0	0	0	110.7	L90 Q103 V208 W209 V211 T329 T332	V88-L90 HydrophobicContact CG2-CD2 3.97Å; V88-L90 HydrophobicContact CG2-CG 4.32Å; V88-Q103 HydrophobicContact CG1-CB 4.14Å; V88-Q103 HydrophobicContact CG1-CG 4.37Å; V88-V208 WeakPolarHBondContact O-CA 3.4Å; V88-W209 PolarHBondContact N-O 3.4Å; V88-W209 PolarHBondContact O-N 3.26Å; V88-V211 HydrophobicContact CB-CG1 4.15Å; V88-V211 HydrophobicContact CG1-CG1 3.34Å; V88-V211 HydrophobicContact CG2-CG1 3.88Å; V88-T329 HydrophobicContact CG1-CG2 3.89Å; V88-T332 HydrophobicContact CG2-CG2 3.56Å
89	E	95.1	Very high	91.9	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.009	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	124.7	171.4	-52.2	-166.7	146	0	0	109.4	L3 Q103 A126 L127 R129 I206 V208	L3-E89 HydrophobicContact CB-CG 4.28Å; L3-E89 HydrophobicContact CD1-CG 3.7Å; L3-E89 HydrophobicContact CG-CG 4.34Å; L3-E89 PolarHBondContact N-OE1 3.01Å; E89-Q103 PolarHBondContact O-NE2 3.24Å; E89-A126 HydrophobicContact CB-CB 4.05Å; E89-A126 HydrophobicContact CG-CB 4.04Å; E89-A126 PolarHBondContact OE2-N 3.35Å; E89-L127 HydrophobicContact CB-CD1 4.17Å; E89-L127 HydrophobicContact CB-CG 4.46Å; E89-L127 PolarHBondContact OE2-N 3.47Å; E89-R129 IonicContact OE1-NH2 3.59Å; E89-I206 HydrophobicContact CB-CG2 4Å; E89-I206 HydrophobicContact CG-CG2 4.42Å; E89-V208 HydrophobicContact CG-CG2 4.3Å
90	L	95.4	Very high	91.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	120.8	179.3	-55.9	174.5	0	0	0	108.4	V88 I206 Q207 W209 L333 Y336	V88-L90 HydrophobicContact CG2-CD2 3.97Å; V88-L90 HydrophobicContact CG2-CG 4.32Å; L90-I206 WeakPolarHBondContact O-CA 3.24Å; L90-Q207 HydrophobicContact CB-CG 3.72Å; L90-Q207 HydrophobicContact CD1-CG 4.21Å; L90-Q207 HydrophobicContact CG-CG 4.46Å; L90-Q207 PolarHBondContact N-O 3.12Å; L90-Q207 PolarHBondContact O-N 3.33Å; L90-W209 HydrophobicContact CD1-CB 3.67Å; L90-W209 HydrophobicContact CD1-CG 4.46Å; L90-L333 HydrophobicContact CD2-CD2 3.72Å; L90-Y336 HydrophobicContact CB-CD1 3.98Å; L90-Y336 HydrophobicContact CB-CD2 3.93Å; L90-Y336 HydrophobicContact CB-CE1 3.97Å; L90-Y336 HydrophobicContact CB-CE2 3.96Å; L90-Y336 HydrophobicContact CB-CG 3.94Å; L90-Y336 HydrophobicContact CD1-CD2 3.83Å; L90-Y336 HydrophobicContact CD1-CG 3.91Å; L90-Y336 HydrophobicContact CD2-CD1 4.04Å; L90-Y336 HydrophobicContact CD2-CG 3.92Å; L90-Y336 HydrophobicContact CG-CD1 4.45Å; L90-Y336 HydrophobicContact CG-CD2 4.34Å; L90-Y336 HydrophobicContact CG-CG 4.14Å
91	G	93.5	Very high	91.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	175.6	-175.7	-176	0	0	0	0	0	111.9	I94 H164	G91-I94 VanDerWaalsContact O-CD1 3.24Å; G91-I94 WeakPolarHBondContact O-CD1 3.28Å; G91-I94 WeakPolarHBondContact O-CG1 3.41Å; G91-H164 PolarHBondContact O-CE1 3.41Å
92	P	93.8	Very high	91.8	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.006	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	144.4	176.5	28.9	-34.1	0	0	0	111.4	W133 V156 I166 V187 M205	P92-W133 HydrophobicContact CB-CD2 4.13Å; P92-W133 HydrophobicContact CB-CG 4.29Å; P92-W133 HydrophobicContact CG-CG 4.31Å; P92-V156 HydrophobicContact CB-CG1 3.96Å; P92-V156 HydrophobicContact CG-CG1 4.44Å; P92-I166 HydrophobicContact CG-CD1 4.45Å; P92-V187 HydrophobicContact CG-CG1 3.98Å; P92-M205 HydrophobicContact CG-CB 4.26Å; P92-M205 HydrophobicContact CG-SD 4.16Å
93	G	91.6	Very high	92.2	Very high	13 Å²	13	18.8 Å²	18.8	13%	0.134	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	103.9	10	-176.7	0	0	0	0	0	114.6	S97 E158	G93-S97 PolarHBondContact O-OG 3.31Å; G93-E158 VanDerWaalsContact CA-OE1 3.3Å; G93-E158 WeakPolarHBondContact CA-OE1 3.17Å; G93-E158 PolarHBondContact N-OE1 3.03Å
94	I	94.4	Very high	92.5	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.102	C	C	.	.			trans	-86.8	-36	177.2	-66.9	172.4	0	0	0	110.7	G91 G96 S97 F99 L127 E158 A310 L333 Y336 F337	G91-I94 VanDerWaalsContact O-CD1 3.24Å; G91-I94 WeakPolarHBondContact O-CD1 3.28Å; G91-I94 WeakPolarHBondContact O-CG1 3.41Å; I94-G96 PolarHBondContact O-N 3.26Å; I94-S97 WeakPolarHBondContact O-CB 3.45Å; I94-S97 PolarHBondContact O-N 3.42Å; I94-F99 HydrophobicContact CG2-CE2 4.07Å; I94-L127 HydrophobicContact CG1-CD2 3.65Å; I94-E158 PolarHBondContact N-OE1 2.89Å; I94-A310 HydrophobicContact CG2-CB 4Å; I94-L333 HydrophobicContact CD1-CD2 4Å; I94-L333 HydrophobicContact CG2-CD2 4.24Å; I94-Y336 HydrophobicContact CD1-CD1 4.44Å; I94-Y336 HydrophobicContact CD1-CE1 4.33Å; I94-F337 HydrophobicContact CB-CZ 4.11Å; I94-F337 HydrophobicContact CG2-CE2 3.83Å; I94-F337 HydrophobicContact CG2-CZ 3.89Å
95	M	92.9	Very high	92.8	Very high	11 Å²	11	13.8 Å²	13.8	5%	0.054	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	128.8	-176.7	-65.6	-59.7	-168.1	0	0	111	S97 E158 I162 V271 F337	M95-S97 PolarHBondContact O-N 3.16Å; M95-E158 HydrophobicContact CB-CG 4.28Å; M95-E158 WeakPolarHBondContact CB-OE1 3.38Å; M95-E158 WeakPolarHBondContact CG-OE2 3.44Å; M95-E158 PolarHBondContact N-OE1 3.36Å; M95-I162 HydrophobicContact CE-CG1 4.19Å; M95-I162 HydrophobicContact CE-CG2 4.01Å; M95-V271 HydrophobicContact CE-CB 4.1Å; M95-V271 HydrophobicContact CE-CG1 3.42Å; M95-V271 VanDerWaalsContact CE-CG1 3.42Å; 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 3.5Å; M95-F337 VanDerWaalsContact CE-CD1 3.5Å; M95-F337 HydrophobicContact CE-CD2 4.07Å; M95-F337 HydrophobicContact CE-CE1 3.11Å; M95-F337 HydrophobicContact CE-CE2 3.71Å; M95-F337 HydrophobicContact CE-CG 3.98Å; M95-F337 HydrophobicContact CE-CZ 3.21Å; M95-F337 HydrophobicContact CG-CE1 4.47Å; M95-F337 HydrophobicContact CG-CZ 4.19Å; M95-F337 HydrophobicContact SD-CE1 4.25Å; M95-F337 HydrophobicContact SD-CE2 4.18Å; M95-F337 HydrophobicContact SD-CZ 3.8Å
96	G	89.5	Confident	92.8	Very high	31 Å²	31	12.8 Å²	12.8	32%	0.32	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	-4.1	-175.2	0	0	0	0	0	114.3	I94 M306 T309	I94-G96 PolarHBondContact O-N 3.26Å; G96-M306 VanDerWaalsContact CA-O 3.27Å; G96-M306 WeakPolarHBondContact CA-O 3.43Å; G96-M306 PolarHBondContact N-O 2.9Å; G96-M306 WeakPolarHBondContact O-CE 3.34Å; G96-T309 PolarHBondContact N-O 3Å
97	S	91.8	Very high	92.8	Very high	36 Å²	36	19 Å²	19	25%	0.252	11%	0.107	S	C	.	.			trans	-85.7	150.5	176.4	-64.7	0	0	0	0	111.5	G93 I94 M95 L311	G93-S97 PolarHBondContact O-OG 3.31Å; I94-S97 WeakPolarHBondContact O-CB 3.45Å; I94-S97 PolarHBondContact O-N 3.42Å; M95-S97 PolarHBondContact O-N 3.16Å; S97-L311 PolarHBondContact O-N 3.49Å
98	I	93.5	Very high	92.7	Very high	41 Å²	41	20.8 Å²	20.8	21%	0.21	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	117.7	179.3	-53.6	156.8	0	0	0	107.7	P105 L106 L288 M306 L311 A313	I98-P105 WeakPolarHBondContact O-CA 3.35Å; I98-L106 HydrophobicContact CG2-CD1 3.89Å; I98-L106 HydrophobicContact CG2-CG 4.41Å; I98-L106 PolarHBondContact O-N 2.81Å; I98-L288 HydrophobicContact CD1-CD2 3.44Å; I98-L288 VanDerWaalsContact CD1-CD2 3.44Å; I98-L288 HydrophobicContact CG1-CD2 3.87Å; I98-L288 HydrophobicContact CG2-CD2 4.21Å; I98-M306 HydrophobicContact CG1-CE 3.99Å; I98-L311 WeakPolarHBondContact CA-O 3.48Å; I98-L311 HydrophobicContact CG1-CB 4.34Å; I98-L311 HydrophobicContact CG1-CD1 4.31Å; I98-L311 HydrophobicContact CG2-CB 4.29Å; I98-A313 HydrophobicContact CG2-CB 4.16Å
99	F	94.7	Very high	92.6	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	155.3	-177	-62.6	-68.6	0	0	0	111.7	I94 Q103 R104 A126 L311 V312 A313	I94-F99 HydrophobicContact CG2-CE2 4.07Å; F99-Q103 HydrophobicContact CB-CG 4.5Å; F99-Q103 HydrophobicContact CD1-CG 3.83Å; F99-Q103 WeakPolarHBondContact CD1-O 3.4Å; F99-Q103 HydrophobicContact CE1-CG 4.2Å; F99-Q103 HydrophobicContact CG-CG 4.05Å; F99-R104 CarbonylContact C-O 3.56Å; F99-R104 WeakPolarHBondContact CA-O 3.47Å; F99-A126 WeakPolarHBondContact CE1-O 3.41Å; F99-L311 PolarHBondContact N-O 2.92Å; F99-V312 CarbonylContact O-C 3.5Å; F99-V312 WeakPolarHBondContact O-CA 3.41Å; F99-A313 PolarHBondContact O-N 2.9Å
100	D	92.6	Very high	92.5	Very high	6 Å²	6	24.6 Å²	24.6	3%	0.032	14%	0.135	C	C	.	.			trans	-85.4	-175.8	161.9	76.5	-3.7	0	0	0	112	I102 Q103 R104 L106	D100-I102 PolarHBondContact O-N 3.11Å; D100-I102 VanDerWaalsContact O-N 3.16Å; D100-I102 WeakPolarHBondContact OD1-CG1 3.45Å; D100-I102 PolarHBondContact OD1-N 3.4Å; D100-I102 VanDerWaalsContact OD1-N 3.09Å; D100-Q103 PolarHBondContact O-N 3.47Å; D100-Q103 VanDerWaalsContact O-N 3.08Å; D100-Q103 PolarHBondContact OD1-N 2.92Å; D100-Q103 VanDerWaalsContact OD1-N 3.07Å; D100-R104 PolarHBondContact N-O 3.19Å; D100-R104 PolarHBondContact OD1-N 3.21Å; D100-R104 IonicContact OD1-NE 3.17Å; D100-R104 IonicContact OD2-CZ 2.71Å; D100-R104 IonicContact OD2-NE 3.73Å; D100-R104 PolarHBondContact OD2-NE 3.07Å; D100-R104 IonicContact OD2-NH2 3.93Å; D100-R104 PolarHBondContact OD2-NH2 2.75Å; D100-L106 HydrophobicContact CB-CD2 4.07Å
101	G	88.2	Confident	92.3	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.01	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-23.1	-177.7	0	0	0	0	0	115.5	A325 S326 T329	G101-A325 CarbonylContact O-C 3.58Å; G101-A325 WeakPolarHBondContact O-CB 3.18Å; G101-S326 PolarHBondContact O-N 2.91Å; G101-T329 PolarHBondContact O-OG1 2.94Å; G101-T329 VanDerWaalsContact O-OG1 3.13Å
102	I	90.3	Very high	92.1	Very high	28 Å²	28	34.4 Å²	34.4	14%	0.144	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	21.1	177.7	57.5	161.3	0	0	0	112.6	V51 Y67 D100 R104 A325	V51-I102 HydrophobicContact CB-CD1 4.37Å; V51-I102 HydrophobicContact CG2-CD1 4.04Å; Y67-I102 HydrophobicContact CD1-CG2 4.43Å; Y67-I102 HydrophobicContact CD2-CG2 4.38Å; Y67-I102 HydrophobicContact CG-CG2 4.1Å; D100-I102 PolarHBondContact O-N 3.11Å; D100-I102 VanDerWaalsContact O-N 3.16Å; D100-I102 WeakPolarHBondContact OD1-CG1 3.45Å; D100-I102 PolarHBondContact OD1-N 3.4Å; D100-I102 VanDerWaalsContact OD1-N 3.09Å; I102-R104 HydrophobicContact CD1-CG 4.3Å; I102-R104 HydrophobicContact CG1-CG 4.2Å; I102-A325 HydrophobicContact CG2-CB 4.34Å
103	Q	93.9	Very high	91.9	Very high	5 Å²	5	36.5 Å²	36.5	2%	0.023	20%	0.2	C	C	.	.			trans	68.6	30.5	174.1	-150.4	-162.9	12.6	0	0	116.1	V88 E89 F99 D100 A126 T329	V88-Q103 HydrophobicContact CG1-CB 4.14Å; V88-Q103 HydrophobicContact CG1-CG 4.37Å; E89-Q103 PolarHBondContact O-NE2 3.24Å; F99-Q103 HydrophobicContact CB-CG 4.5Å; F99-Q103 HydrophobicContact CD1-CG 3.83Å; F99-Q103 WeakPolarHBondContact CD1-O 3.4Å; F99-Q103 HydrophobicContact CE1-CG 4.2Å; F99-Q103 HydrophobicContact CG-CG 4.05Å; D100-Q103 PolarHBondContact O-N 3.47Å; D100-Q103 VanDerWaalsContact O-N 3.08Å; D100-Q103 PolarHBondContact OD1-N 2.92Å; D100-Q103 VanDerWaalsContact OD1-N 3.07Å; Q103-A126 HydrophobicContact CG-CB 4.09Å; Q103-A126 VanDerWaalsContact O-CB 3.23Å; Q103-A126 WeakPolarHBondContact O-CB 2.95Å; Q103-T329 HydrophobicContact CB-CG2 4.17Å; Q103-T329 HydrophobicContact CG-CG2 4.27Å
104	R	93	Very high	91.9	Very high	27 Å²	27	43.3 Å²	43.3	10%	0.102	23%	0.228	C	C	.	.			trans	-89.1	132.9	172.1	-60.1	179.1	-64.5	-162.4	-7.6	111.4	E68 F99 D100 I102 L106 I109 V122	E68-R104 IonicContact OE1-CZ 2.87Å; E68-R104 IonicContact OE1-NH1 3.7Å; E68-R104 PolarHBondContact OE1-NH1 3.41Å; E68-R104 IonicContact OE1-NH2 2.68Å; F99-R104 CarbonylContact C-O 3.56Å; F99-R104 WeakPolarHBondContact CA-O 3.47Å; D100-R104 PolarHBondContact N-O 3.19Å; D100-R104 PolarHBondContact OD1-N 3.21Å; D100-R104 IonicContact OD1-NE 3.17Å; D100-R104 IonicContact OD2-CZ 2.71Å; D100-R104 IonicContact OD2-NE 3.73Å; D100-R104 PolarHBondContact OD2-NE 3.07Å; D100-R104 IonicContact OD2-NH2 3.93Å; D100-R104 PolarHBondContact OD2-NH2 2.75Å; I102-R104 HydrophobicContact CD1-CG 4.3Å; I102-R104 HydrophobicContact CG1-CG 4.2Å; R104-L106 PolarHBondContact O-N 3.46Å; R104-I109 HydrophobicContact CB-CD1 3.83Å; R104-V122 PolarHBondContact NH1-O 3.37Å
105	P	94.2	Very high	91.8	Very high	6 Å²	6	45.5 Å²	45.5	4%	0.039	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-70.1	116.3	179.5	25.4	-33	0	0	0	111.4	I98 K107 D108 I109 I124	I98-P105 WeakPolarHBondContact O-CA 3.35Å; P105-K107 VanDerWaalsContact C-N 3.33Å; P105-K107 PolarHBondContact O-N 3.24Å; P105-D108 HydrophobicContact CB-CB 4.09Å; P105-D108 HydrophobicContact CG-CB 3.86Å; P105-D108 WeakPolarHBondContact CG-OD2 3.41Å; P105-D108 PolarHBondContact O-N 3.48Å; P105-I109 VanDerWaalsContact O-CG1 3.31Å; P105-I109 WeakPolarHBondContact O-CG1 3.42Å; P105-I109 PolarHBondContact O-N 2.68Å; P105-I109 VanDerWaalsContact O-N 3.1Å; P105-I124 HydrophobicContact CG-CG2 4.18Å
106	L	92.4	Very high	91.7	Very high	38 Å²	38	51.9 Å²	51.9	20%	0.199	28%	0.277	C	S	.	.	H	α-helix	trans	-66.4	-34	-176.4	-68.8	-175.1	0	0	0	113.1	I98 D100 R104 I109 N110 I118 A313	I98-L106 HydrophobicContact CG2-CD1 3.89Å; I98-L106 HydrophobicContact CG2-CG 4.41Å; I98-L106 PolarHBondContact O-N 2.81Å; D100-L106 HydrophobicContact CB-CD2 4.07Å; R104-L106 PolarHBondContact O-N 3.46Å; L106-I109 HydrophobicContact CD2-CD1 4.3Å; L106-N110 PolarHBondContact O-N 3.29Å; L106-I118 HydrophobicContact CD2-CD1 3.85Å; L106-A313 HydrophobicContact CD1-CB 4.08Å
107	K	91	Very high	91.8	Very high	141 Å²	141	58.8 Å²	58.8	61%	0.613	29%	0.294	S	S	*	.	H	α-helix	trans	-66.4	-48	178.2	-173.5	-179.6	175.5	-173.5	0	110.9	P105 I109 N110 D111	P105-K107 VanDerWaalsContact C-N 3.33Å; P105-K107 PolarHBondContact O-N 3.24Å; K107-I109 VanDerWaalsContact C-N 3.3Å; K107-I109 PolarHBondContact O-N 2.81Å; K107-N110 WeakPolarHBondContact O-CB 3.31Å; K107-N110 PolarHBondContact O-N 2.94Å; K107-N110 VanDerWaalsContact O-N 3.1Å; K107-D111 PolarHBondContact O-N 3.47Å
108	D	91.1	Very high	91.7	Very high	49 Å²	49	60.4 Å²	60.4	26%	0.262	30%	0.299	S	S	.	.	H	α-helix	trans	-67.4	-32.9	-179.1	-55.8	-10.7	0	0	0	111.5	P105 D111 L112	P105-D108 HydrophobicContact CB-CB 4.09Å; P105-D108 HydrophobicContact CG-CB 3.86Å; P105-D108 WeakPolarHBondContact CG-OD2 3.41Å; P105-D108 PolarHBondContact O-N 3.48Å; D108-D111 PolarHBondContact O-N 3.41Å; D108-L112 VanDerWaalsContact O-CB 3.24Å; D108-L112 WeakPolarHBondContact O-CB 3.48Å; D108-L112 PolarHBondContact O-N 2.97Å
109	I	91.6	Very high	91.5	Very high	4 Å²	4	61 Å²	61	2%	0.021	31%	0.306	C	S	.	.	H	α-helix	trans	-59.3	-47.6	170.7	-70.4	161.9	0	0	0	110.6	R104 P105 L106 K107 L112 T113 I118 V122 I124	R104-I109 HydrophobicContact CB-CD1 3.83Å; P105-I109 VanDerWaalsContact O-CG1 3.31Å; P105-I109 WeakPolarHBondContact O-CG1 3.42Å; P105-I109 PolarHBondContact O-N 2.68Å; P105-I109 VanDerWaalsContact O-N 3.1Å; L106-I109 HydrophobicContact CD2-CD1 4.3Å; K107-I109 VanDerWaalsContact C-N 3.3Å; K107-I109 PolarHBondContact O-N 2.81Å; I109-L112 PolarHBondContact O-N 3.39Å; I109-T113 HydrophobicContact CG2-CG2 4.41Å; I109-T113 WeakPolarHBondContact O-CB 3.47Å; I109-T113 VanDerWaalsContact O-CG2 3.27Å; I109-T113 WeakPolarHBondContact O-CG2 3.49Å; I109-T113 PolarHBondContact O-N 3.17Å; I109-T113 PolarHBondContact O-OG1 3.32Å; I109-I118 HydrophobicContact CG2-CG2 4.44Å; I109-V122 HydrophobicContact CD1-CG1 4.44Å; I109-I124 HydrophobicContact CB-CD1 4.29Å; I109-I124 HydrophobicContact CG1-CD1 3.62Å
110	N	92.4	Very high	91.1	Very high	78 Å²	78	67.1 Å²	67.1	42%	0.417	33%	0.329	S	S	.	.	H	α-helix	trans	-63.8	-47.9	179.4	-175	-4.1	0	0	0	110.7	L106 K107 L112 T113 Q114 S115	L106-N110 PolarHBondContact O-N 3.29Å; K107-N110 WeakPolarHBondContact O-CB 3.31Å; K107-N110 PolarHBondContact O-N 2.94Å; K107-N110 VanDerWaalsContact O-N 3.1Å; N110-L112 VanDerWaalsContact C-N 3.3Å; N110-L112 PolarHBondContact O-N 3.11Å; N110-T113 PolarHBondContact O-N 3.5Å; N110-Q114 WeakPolarHBondContact O-CA 3.42Å; N110-Q114 PolarHBondContact O-N 3Å; N110-S115 PolarHBondContact OD1-O 3.42Å
111	D	91.6	Very high	90.6	Very high	86 Å²	86	67.6 Å²	67.6	46%	0.46	34%	0.336	S	S	.	.	H	α-helix	trans	-62.6	-36	-179.5	-68.1	-18.5	0	0	0	112.1	K107 D108 Q114	K107-D111 PolarHBondContact O-N 3.47Å; D108-D111 PolarHBondContact O-N 3.41Å; D111-Q114 PolarHBondContact O-NE2 2.92Å
112	L	89.4	Confident	90.5	Very high	121 Å²	121	68.4 Å²	68.4	63%	0.634	34%	0.34	S	S	*	.	H	α-helix	trans	-73.8	-43.1	177	-175.7	71	0	0	0	112.7	D108 I109 N110 I124	D108-L112 VanDerWaalsContact O-CB 3.24Å; D108-L112 WeakPolarHBondContact O-CB 3.48Å; D108-L112 PolarHBondContact O-N 2.97Å; I109-L112 PolarHBondContact O-N 3.39Å; N110-L112 VanDerWaalsContact C-N 3.3Å; N110-L112 PolarHBondContact O-N 3.11Å; L112-I124 HydrophobicContact CB-CD1 4.47Å; L112-I124 HydrophobicContact CD2-CD1 3.63Å; L112-I124 HydrophobicContact CD2-CG1 3.96Å
113	T	89.7	Confident	90.2	Very high	45 Å²	45	69.5 Å²	69.5	28%	0.276	35%	0.346	S	S	.	.	H	α-helix	trans	-90.8	-17	-170.8	62.2	0	0	0	0	113.1	I109 N110 S115 P119	I109-T113 HydrophobicContact CG2-CG2 4.41Å; I109-T113 WeakPolarHBondContact O-CB 3.47Å; I109-T113 VanDerWaalsContact O-CG2 3.27Å; I109-T113 WeakPolarHBondContact O-CG2 3.49Å; I109-T113 PolarHBondContact O-N 3.17Å; I109-T113 PolarHBondContact O-OG1 3.32Å; N110-T113 PolarHBondContact O-N 3.5Å; T113-S115 PolarHBondContact O-N 3.28Å; T113-P119 HydrophobicContact CG2-CG 3.54Å
114	Q	92.3	Very high	89.8	Confident	155 Å²	155	71 Å²	71	72%	0.724	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	35.4	-174.2	-63	-67.4	-50.2	0	0	111.9	N110 D111	N110-Q114 WeakPolarHBondContact O-CA 3.42Å; N110-Q114 PolarHBondContact O-N 3Å; D111-Q114 PolarHBondContact O-NE2 2.92Å
115	S	92.1	Very high	89.4	Confident	46 Å²	46	70.4 Å²	70.4	32%	0.322	36%	0.357	S	S	.	.	S	Bend	trans	-134.2	149.9	-175.2	-179.4	0	0	0	0	110.3	N110 T113 Y117	N110-S115 PolarHBondContact OD1-O 3.42Å; T113-S115 PolarHBondContact O-N 3.28Å; S115-Y117 PolarHBondContact O-N 2.83Å; S115-Y117 PolarHBondContact OG-N 3.25Å
116	I	91.3	Very high	89.2	Confident	146 Å²	146	70.7 Å²	70.7	75%	0.749	36%	0.359	S	S	*	.	S	Bend	trans	-77.4	-12	173.6	61.8	172.6	0	0	0	112.8
117	Y	90.1	Very high	89.2	Confident	176 Å²	176	69 Å²	69	69%	0.69	35%	0.351	S	S	*	.	S	Bend	trans	-102.8	142.5	-178.6	-63.1	-70.7	0	0	0	111.1	S115 P119	S115-Y117 PolarHBondContact O-N 2.83Å; S115-Y117 PolarHBondContact OG-N 3.25Å; Y117-P119 VanDerWaalsContact O-CD 3.31Å; Y117-P119 WeakPolarHBondContact O-CD 3.42Å
118	I	89.9	Confident	89.1	Confident	70 Å²	70	65 Å²	65	36%	0.359	34%	0.336	S	S	.	.			trans	-80.3	115	172.9	-57.7	169.8	0	0	0	107.8	L106 I109 V122 M318	L106-I118 HydrophobicContact CD2-CD1 3.85Å; I109-I118 HydrophobicContact CG2-CG2 4.44Å; I118-V122 HydrophobicContact CG2-CG1 4.15Å; I118-M318 HydrophobicContact CD1-CE 3.76Å
119	P	89	Confident	88.9	Confident	53 Å²	53	65.7 Å²	65.7	34%	0.344	34%	0.335	S	S	.	.			trans	-70.9	148.9	177.2	22.6	-22.2	0	0	0	111	T113 Y117 V122	T113-P119 HydrophobicContact CG2-CG 3.54Å; Y117-P119 VanDerWaalsContact O-CD 3.31Å; Y117-P119 WeakPolarHBondContact O-CD 3.42Å; P119-V122 HydrophobicContact CG-CB 4.12Å; P119-V122 HydrophobicContact CG-CG2 4.39Å; P119-V122 WeakPolarHBondContact O-CG1 3.25Å
120	R	86.4	Confident	88.8	Confident	128 Å²	128	72.5 Å²	72.5	48%	0.483	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	142	176.7	-62.4	179.1	-65.9	178	5.6	110.4	L50 S71 V122	L50-R120 HydrophobicContact CD2-CB 4.07Å; S71-R120 PolarHBondContact O-NH1 3.15Å; R120-V122 PolarHBondContact O-N 3.37Å
121	G	83.3	Confident	88.7	Confident	17 Å²	17	72.8 Å²	72.8	18%	0.175	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.3	11.1	179.1	0	0	0	0	0	114.6	S48 E68 N123	S48-G121 WeakPolarHBondContact O-CA 3.45Å; E68-G121 PolarHBondContact OE2-N 2.8Å; G121-N123 PolarHBondContact O-N 2.9Å
122	V	86.6	Confident	88.8	Confident	17 Å²	17	75.7 Å²	75.7	10%	0.103	38%	0.381	C	S	.	.			trans	-67.1	121.1	-179.8	68.1	0	0	0	0	110.2	R104 I109 I118 P119 R120 I124	R104-V122 PolarHBondContact NH1-O 3.37Å; I109-V122 HydrophobicContact CD1-CG1 4.44Å; I118-V122 HydrophobicContact CG2-CG1 4.15Å; P119-V122 HydrophobicContact CG-CB 4.12Å; P119-V122 HydrophobicContact CG-CG2 4.39Å; P119-V122 WeakPolarHBondContact O-CG1 3.25Å; R120-V122 PolarHBondContact O-N 3.37Å; V122-I124 HydrophobicContact CG2-CD1 3.68Å; V122-I124 HydrophobicContact CG2-CG1 3.91Å
123	N	82.9	Confident	89.1	Confident	51 Å²	51	71.7 Å²	71.7	27%	0.273	36%	0.357	S	S	.	.			trans	-116.4	98.3	-179.4	-169.7	10.3	0	0	0	109.4	G121	G121-N123 PolarHBondContact O-N 2.9Å
124	I	85.4	Confident	89.3	Confident	36 Å²	36	74.8 Å²	74.8	19%	0.185	37%	0.369	C	S	.	.			trans	-121.7	141.5	177.3	-63.8	167.9	0	0	0	106.8	P105 I109 L112 V122	P105-I124 HydrophobicContact CG-CG2 4.18Å; I109-I124 HydrophobicContact CB-CD1 4.29Å; I109-I124 HydrophobicContact CG1-CD1 3.62Å; L112-I124 HydrophobicContact CB-CD1 4.47Å; L112-I124 HydrophobicContact CD2-CD1 3.63Å; L112-I124 HydrophobicContact CD2-CG1 3.96Å; V122-I124 HydrophobicContact CG2-CD1 3.68Å; V122-I124 HydrophobicContact CG2-CG1 3.91Å
125	G	85	Confident	89.5	Confident	16 Å²	16	67.4 Å²	67.4	17%	0.165	33%	0.334	C	S	.	.			trans	-60.2	144.2	174.9	0	0	0	0	0	110.8	L127	G125-L127 PolarHBondContact O-N 3.11Å
126	A	90.3	Very high	89.6	Confident	11 Å²	11	66.8 Å²	66.8	9%	0.091	33%	0.33	C	S	.	.	S	Bend	trans	-64.9	-36.6	-179.1	0	0	0	0	0	111	E89 F99 Q103	E89-A126 HydrophobicContact CB-CB 4.05Å; E89-A126 HydrophobicContact CG-CB 4.04Å; E89-A126 PolarHBondContact OE2-N 3.35Å; F99-A126 WeakPolarHBondContact CE1-O 3.41Å; Q103-A126 HydrophobicContact CG-CB 4.09Å; Q103-A126 VanDerWaalsContact O-CB 3.23Å; Q103-A126 WeakPolarHBondContact O-CB 2.95Å
127	L	91.1	Very high	89.7	Confident	4 Å²	4	61.5 Å²	61.5	2%	0.021	31%	0.305	C	S	.	.	S	Bend	trans	-112.7	139.6	178.9	-59.9	171.4	0	0	0	111.3	E89 I94 G125 I206	E89-L127 HydrophobicContact CB-CD1 4.17Å; E89-L127 HydrophobicContact CB-CG 4.46Å; E89-L127 PolarHBondContact OE2-N 3.47Å; I94-L127 HydrophobicContact CG1-CD2 3.65Å; G125-L127 PolarHBondContact O-N 3.11Å; L127-I206 HydrophobicContact CB-CD1 4.24Å; L127-I206 HydrophobicContact CD1-CD1 3.98Å; L127-I206 HydrophobicContact CD1-CG1 3.7Å
128	N	89.3	Confident	89.7	Confident	56 Å²	56	54.9 Å²	54.9	30%	0.299	28%	0.283	S	S	.	.			trans	-69.9	130.2	179.5	-171.6	-35.5	0	0	0	110.5	D130 L131 V187	N128-D130 WeakPolarHBondContact OD1-CB 3.41Å; N128-D130 PolarHBondContact OD1-N 3.46Å; N128-L131 HydrophobicContact CB-CD1 3.95Å; N128-L131 HydrophobicContact CB-CG 4.13Å; N128-L131 PolarHBondContact OD1-N 2.75Å; N128-V187 VanDerWaalsContact O-CG2 3.31Å; N128-V187 WeakPolarHBondContact O-CG2 3.44Å
129	R	87.8	Confident	89.4	Confident	63 Å²	63	61.5 Å²	61.5	24%	0.238	31%	0.309	C	S	.	.	S	Bend	trans	-98.8	-11.3	-175.8	-61.2	178.2	-169.8	-164	-5	114	D2 S4 E89 D186	D2-R129 IonicContact OD1-CZ 2.7Å; D2-R129 IonicContact OD1-NH1 3.23Å; D2-R129 IonicContact OD1-NH2 2.63Å; D2-R129 PolarHBondContact OD1-NH2 3.37Å; D2-R129 IonicContact OD2-CZ 3.11Å; D2-R129 IonicContact OD2-NH1 2.88Å; D2-R129 PolarHBondContact OD2-NH1 3.38Å; D2-R129 IonicContact OD2-NH2 3.83Å; D2-R129 PolarHBondContact OD2-NH2 2.74Å; D2-R129 VanDerWaalsContact OD2-NH2 3.11Å; S4-R129 VanDerWaalsContact CB-NH2 3.32Å; S4-R129 PolarHBondContact OG-NH1 3.25Å; S4-R129 PolarHBondContact OG-NH2 2.84Å; E89-R129 IonicContact OE1-NH2 3.59Å; R129-D186 WeakPolarHBondContact O-CB 3.37Å
130	D	89.6	Confident	89.2	Confident	147 Å²	147	63.6 Å²	63.6	79%	0.786	33%	0.325	S	S	*	.	S	Bend	trans	-84.5	-23.2	177.6	-56.1	-40.4	0	0	0	110.6	N128 K132	N128-D130 WeakPolarHBondContact OD1-CB 3.41Å; N128-D130 PolarHBondContact OD1-N 3.46Å; D130-K132 PolarHBondContact O-N 3Å
131	L	90.6	Very high	89.3	Confident	85 Å²	85	59.1 Å²	59.1	45%	0.445	31%	0.31	S	S	.	.			trans	-70.5	125.7	175.7	-67.6	179.5	0	0	0	111.1	N128 W133	N128-L131 HydrophobicContact CB-CD1 3.95Å; N128-L131 HydrophobicContact CB-CG 4.13Å; N128-L131 PolarHBondContact OD1-N 2.75Å; L131-W133 HydrophobicContact CB-CZ2 4.45Å; L131-W133 HydrophobicContact CD1-CZ2 4.24Å
132	K	93.6	Very high	89.6	Confident	147 Å²	147	67.3 Å²	67.3	64%	0.639	34%	0.336	S	S	*	.			trans	-97.7	134.7	174.9	-60.1	-167.3	177.5	-166.5	0	110.6	D130 N184 Y185	D130-K132 PolarHBondContact O-N 3Å; K132-N184 HydrophobicContact CB-CB 4.32Å; K132-Y185 CarbonylContact C-O 2.97Å; K132-Y185 WeakPolarHBondContact CA-O 3.35Å
133	W	94.7	Very high	89.9	Confident	36 Å²	36	71.4 Å²	71.4	14%	0.136	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	139.5	-177.5	-61.6	101.8	0	0	0	110.8	P92 L131 F135 V156 E158 N184 Y185	P92-W133 HydrophobicContact CB-CD2 4.13Å; P92-W133 HydrophobicContact CB-CG 4.29Å; P92-W133 HydrophobicContact CG-CG 4.31Å; L131-W133 HydrophobicContact CB-CZ2 4.45Å; L131-W133 HydrophobicContact CD1-CZ2 4.24Å; W133-F135 PolarHBondContact O-N 2.63Å; W133-V156 HydrophobicContact CB-CG1 3.65Å; W133-V156 HydrophobicContact CD2-CG1 4.23Å; W133-V156 HydrophobicContact CE3-CG1 4.11Å; W133-V156 HydrophobicContact CG-CG1 4.08Å; W133-E158 HydrophobicContact CH2-CG 4.12Å; W133-E158 HydrophobicContact CZ3-CB 4.37Å; W133-E158 HydrophobicContact CZ3-CG 4.14Å; W133-N184 WeakPolarHBondContact O-CA 3.2Å; W133-Y185 PolarHBondContact N-O 3.42Å; W133-Y185 PolarHBondContact O-N 2.66Å
134	E	94.7	Very high	90.3	Very high	111 Å²	111	71.4 Å²	71.4	52%	0.519	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	105.1	173.8	-171.7	179.8	-178.5	0	0	109.4
135	F	95.1	Very high	90.6	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	134.1	177.8	179.2	-104	0	0	0	111	W133 P137 Y153 V156 I166 P182 G183 Y185 V191 M205	W133-F135 PolarHBondContact O-N 2.63Å; F135-P137 HydrophobicContact CE1-CB 3.86Å; F135-P137 HydrophobicContact CE1-CG 4.29Å; F135-P137 HydrophobicContact CZ-CB 4.24Å; F135-Y153 HydrophobicContact CE2-CE2 4.43Å; F135-Y153 HydrophobicContact CZ-CD2 4.23Å; F135-Y153 HydrophobicContact CZ-CE2 4.34Å; F135-V156 HydrophobicContact CB-CG2 4.44Å; F135-V156 HydrophobicContact CD2-CG2 3.91Å; F135-I166 HydrophobicContact CE2-CG1 4.33Å; F135-P182 VanDerWaalsContact O-CA 3.25Å; F135-P182 WeakPolarHBondContact O-CA 3.29Å; F135-G183 PolarHBondContact N-O 3.48Å; F135-G183 PolarHBondContact O-N 3.13Å; F135-G183 VanDerWaalsContact O-N 3.15Å; F135-Y185 HydrophobicContact CB-CD2 3.82Å; F135-Y185 HydrophobicContact CB-CE2 4.39Å; F135-Y185 HydrophobicContact CD1-CE2 4.49Å; F135-V191 HydrophobicContact CD1-CG1 3.9Å; F135-V191 HydrophobicContact CD2-CG1 4.09Å; F135-V191 HydrophobicContact CE1-CG1 3.33Å; F135-V191 HydrophobicContact CE2-CG1 3.55Å; F135-V191 HydrophobicContact CG-CG1 4.26Å; F135-V191 HydrophobicContact CZ-CG1 3.14Å; F135-M205 HydrophobicContact CB-CE 3.6Å; F135-M205 HydrophobicContact CD2-CE 3.85Å; F135-M205 HydrophobicContact CG-CE 3.88Å
136	S	94.7	Very high	91	Very high	32 Å²	32	78 Å²	78	22%	0.224	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	111.8	173.4	-73.5	0	0	0	0	110.3	G154 M155	S136-G154 CarbonylContact O-C 3.59Å; S136-G154 VanDerWaalsContact O-CA 3.29Å; S136-G154 WeakPolarHBondContact O-CA 3.5Å; S136-M155 PolarHBondContact N-O 3.45Å; S136-M155 PolarHBondContact O-N 3Å
137	P	93.3	Very high	91.2	Very high	35 Å²	35	77.9 Å²	77.9	23%	0.227	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	154	177.3	27.8	-33.7	0	0	0	111.7	F135 K139 V179	F135-P137 HydrophobicContact CE1-CB 3.86Å; F135-P137 HydrophobicContact CE1-CG 4.29Å; F135-P137 HydrophobicContact CZ-CB 4.24Å; P137-K139 PolarHBondContact O-N 3.4Å; P137-V179 HydrophobicContact CB-CG1 3.82Å
138	V	90.9	Very high	91.3	Very high	38 Å²	38	80.6 Å²	80.6	23%	0.23	42%	0.417	C	S	.	.			trans	-69.1	126.6	176.2	178.8	0	0	0	0	109.9	S140 L141 I152 Y153	V138-S140 VanDerWaalsContact CG1-OG 3.25Å; V138-S140 WeakPolarHBondContact CG1-OG 3.47Å; V138-S140 PolarHBondContact O-N 3.08Å; V138-S140 VanDerWaalsContact O-N 3.09Å; V138-L141 WeakPolarHBondContact O-CB 3.42Å; V138-L141 PolarHBondContact O-N 3.18Å; V138-I152 HydrophobicContact CG2-CG2 3.89Å; V138-Y153 PolarHBondContact N-O 3.35Å
139	K	83.7	Confident	91.6	Very high	209 Å²	209	78 Å²	78	91%	0.909	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-25.4	-175.2	-66.9	-178	179.6	179.5	0	114.7	P137 L141	P137-K139 PolarHBondContact O-N 3.4Å; K139-L141 VanDerWaalsContact C-N 3.34Å
140	S	83.9	Confident	91.8	Very high	97 Å²	97	75.2 Å²	75.2	68%	0.678	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-17.3	178.3	56.5	0	0	0	0	113.3	V138	V138-S140 VanDerWaalsContact CG1-OG 3.25Å; V138-S140 WeakPolarHBondContact CG1-OG 3.47Å; V138-S140 PolarHBondContact O-N 3.08Å; V138-S140 VanDerWaalsContact O-N 3.09Å
141	L	88.2	Confident	92.1	Very high	33 Å²	33	68.8 Å²	68.8	17%	0.173	36%	0.359	C	S	.	.			trans	-84.2	121.6	-177.1	-160.5	72.7	0	0	0	110.2	V138 K139 I147 V176 V179 L192	V138-L141 WeakPolarHBondContact O-CB 3.42Å; V138-L141 PolarHBondContact O-N 3.18Å; K139-L141 VanDerWaalsContact C-N 3.34Å; L141-I147 HydrophobicContact CD1-CD1 4.36Å; L141-V176 HydrophobicContact CD1-CG2 4Å; L141-V176 HydrophobicContact CD2-CG2 4.33Å; L141-V176 HydrophobicContact CG-CG2 4.23Å; L141-V179 HydrophobicContact CD2-CG2 3.98Å; L141-V179 HydrophobicContact CG-CG2 4.44Å; L141-L192 HydrophobicContact CD2-CD1 4.29Å
142	R	90.1	Very high	92.3	Very high	189 Å²	189	65.6 Å²	65.6	71%	0.713	34%	0.343	S	S	*	.			trans	-124.2	157	175.3	-60.8	-177.3	-177	-177	1.1	110.5	G144 S145	R142-G144 PolarHBondContact O-N 3.43Å; R142-S145 PolarHBondContact N-OG 3.4Å; R142-S145 VanDerWaalsContact N-OG 3.11Å; R142-S145 WeakPolarHBondContact O-CB 3.34Å; R142-S145 PolarHBondContact O-N 3.48Å; R142-S145 PolarHBondContact O-OG 3.13Å
143	V	92.7	Very high	92.3	Very high	104 Å²	104	58.8 Å²	58.8	63%	0.63	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	129.9	168.7	-179.6	0	0	0	0	109.1	T177	V143-T177 VanDerWaalsContact CG1-O 3.31Å; V143-T177 WeakPolarHBondContact CG1-O 3.41Å
144	G	90.8	Very high	92.2	Very high	50 Å²	50	57 Å²	57	52%	0.515	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.5	-6	-173	0	0	0	0	0	115.2	R142 V176	R142-G144 PolarHBondContact O-N 3.43Å; G144-V176 PolarHBondContact N-O 3.07Å
145	S	92.9	Very high	92.2	Very high	34 Å²	34	55.3 Å²	55.3	24%	0.238	30%	0.299	C	S	.	.			trans	-72.1	145.7	176.6	-52.3	0	0	0	0	111.1	R142 T175 V176	R142-S145 PolarHBondContact N-OG 3.4Å; R142-S145 VanDerWaalsContact N-OG 3.11Å; R142-S145 WeakPolarHBondContact O-CB 3.34Å; R142-S145 PolarHBondContact O-N 3.48Å; R142-S145 PolarHBondContact O-OG 3.13Å; S145-T175 WeakPolarHBondContact O-CA 3.2Å; S145-V176 WeakPolarHBondContact O-CG2 3.5Å; S145-V176 PolarHBondContact O-N 2.88Å
146	H	92.7	Very high	92.2	Very high	157 Å²	157	55.3 Å²	55.3	73%	0.727	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.1	135.4	170.1	-64.4	-76.8	0	0	0	110.2	T175	H146-T175 WeakPolarHBondContact CE1-CG2 3.46Å; H146-T175 VanDerWaalsContact ND1-CG2 3.26Å; H146-T175 WeakPolarHBondContact ND1-CG2 3.28Å
147	I	94.6	Very high	92	Very high	8 Å²	8	58.4 Å²	58.4	4%	0.041	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	143.1	176	-166.2	174.9	0	0	0	109.4	L141 D151 L168 R173 G174 V176 L192 L194	L141-I147 HydrophobicContact CD1-CD1 4.36Å; I147-D151 HydrophobicContact CD1-CB 3.86Å; I147-D151 HydrophobicContact CG1-CB 3.45Å; I147-D151 VanDerWaalsContact CG1-CB 3.45Å; I147-D151 VanDerWaalsContact CG1-OD2 3.3Å; I147-D151 WeakPolarHBondContact CG1-OD2 3.43Å; I147-L168 HydrophobicContact CD1-CB 4.48Å; I147-L168 HydrophobicContact CD1-CD2 4.48Å; I147-L168 HydrophobicContact CG1-CD2 4.32Å; I147-L168 HydrophobicContact CG2-CD2 4.09Å; I147-R173 WeakPolarHBondContact O-CA 3.25Å; I147-G174 PolarHBondContact N-O 2.97Å; I147-G174 PolarHBondContact O-N 3.05Å; I147-V176 HydrophobicContact CB-CG2 4.32Å; I147-V176 HydrophobicContact CG2-CG2 3.94Å; I147-L192 HydrophobicContact CD1-CD2 4.48Å; I147-L194 HydrophobicContact CG2-CD1 3.65Å; I147-L194 HydrophobicContact CG2-CD2 3.48Å; I147-L194 VanDerWaalsContact CG2-CD2 3.48Å; I147-L194 HydrophobicContact CG2-CG 4.24Å
148	T	94.5	Very high	91.8	Very high	62 Å²	62	57.2 Å²	57.2	38%	0.38	30%	0.3	S	S	.	.			trans	-116	166.1	175.4	-171.2	0	0	0	0	110.9	D151 N172	T148-D151 VanDerWaalsContact CG2-OD1 3.23Å; T148-D151 WeakPolarHBondContact CG2-OD1 3.38Å; T148-D151 WeakPolarHBondContact CG2-OD2 3.46Å; T148-D151 PolarHBondContact N-OD2 3.14Å; T148-D151 VanDerWaalsContact O-CB 3.25Å; T148-D151 WeakPolarHBondContact O-CB 3.38Å; T148-D151 PolarHBondContact O-N 3.47Å; T148-N172 CarbonylContact C-O 3.53Å
149	G	94.1	Very high	91.6	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	147.7	175.6	0	0	0	0	0	110.5	D151 P169 N172 L395	G149-D151 PolarHBondContact O-N 2.95Å; G149-P169 WeakPolarHBondContact CA-O 3.4Å; G149-N172 VanDerWaalsContact CA-O 3.28Å; G149-N172 WeakPolarHBondContact CA-O 3.44Å; G149-N172 PolarHBondContact N-O 3.37Å; G149-L395 VanDerWaalsContact C-CD2 3.46Å; G149-L395 WeakPolarHBondContact O-CD2 3.12Å
150	G	92.9	Very high	91.8	Very high	6 Å²	6	51.7 Å²	51.7	6%	0.062	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	-14.9	-177.5	0	0	0	0	0	115.6	L168 L395 R400	G150-L168 PolarHBondContact N-O 3.48Å; G150-L395 CarbonylContact C-O 3.45Å; G150-R400 PolarHBondContact O-NH2 3.12Å
151	D	94.8	Very high	91.9	Very high	11 Å²	11	49 Å²	49	6%	0.059	26%	0.264	C	S	.	.			trans	-63.3	138.1	177.7	-70.3	-2.5	0	0	0	111.2	I147 T148 G149 M167 L168 G396 N397	I147-D151 HydrophobicContact CD1-CB 3.86Å; I147-D151 HydrophobicContact CG1-CB 3.45Å; I147-D151 VanDerWaalsContact CG1-CB 3.45Å; I147-D151 VanDerWaalsContact CG1-OD2 3.3Å; I147-D151 WeakPolarHBondContact CG1-OD2 3.43Å; T148-D151 VanDerWaalsContact CG2-OD1 3.23Å; T148-D151 WeakPolarHBondContact CG2-OD1 3.38Å; T148-D151 WeakPolarHBondContact CG2-OD2 3.46Å; T148-D151 PolarHBondContact N-OD2 3.14Å; T148-D151 VanDerWaalsContact O-CB 3.25Å; T148-D151 WeakPolarHBondContact O-CB 3.38Å; T148-D151 PolarHBondContact O-N 3.47Å; G149-D151 PolarHBondContact O-N 2.95Å; D151-M167 VanDerWaalsContact O-CA 3.32Å; D151-M167 WeakPolarHBondContact O-CA 3.35Å; D151-L168 PolarHBondContact O-N 3.09Å; D151-G396 WeakPolarHBondContact OD1-CA 3.5Å; D151-N397 VanDerWaalsContact CA-O 3.3Å; D151-N397 WeakPolarHBondContact CA-O 3.18Å; D151-N397 PolarHBondContact OD1-N 2.94Å
152	I	94.8	Very high	92.1	Very high	19 Å²	19	47.8 Å²	47.8	10%	0.097	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	122.4	172.5	-59.3	171.5	0	0	0	108.4	V138 G154 K165 I166 M167 N397 P398 R400	V138-I152 HydrophobicContact CG2-CG2 3.89Å; I152-G154 WeakPolarHBondContact CG2-O 3.33Å; I152-K165 HydrophobicContact CD1-CB 3.9Å; I152-K165 HydrophobicContact CD1-CD 3.59Å; I152-K165 HydrophobicContact CD1-CG 4.11Å; I152-K165 HydrophobicContact CG1-CB 4.22Å; I152-K165 HydrophobicContact CG2-CB 4.27Å; I152-I166 WeakPolarHBondContact CA-O 3.07Å; I152-M167 HydrophobicContact CG1-CG 3.97Å; I152-N397 PolarHBondContact N-O 3.21Å; I152-P398 HydrophobicContact CD1-CG 4.12Å; I152-R400 VanDerWaalsContact CD1-CZ 3.4Å; I152-R400 VanDerWaalsContact CG1-CZ 3.41Å; I152-R400 VanDerWaalsContact CG1-NH1 3.28Å
153	Y	93.5	Very high	92.2	Very high	3 Å²	3	44.1 Å²	44.1	1%	0.012	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	-12.9	175.9	66.4	-97.2	0	0	0	113.4	F135 V138 I166 L168 V191 L192 T204	F135-Y153 HydrophobicContact CE2-CE2 4.43Å; F135-Y153 HydrophobicContact CZ-CD2 4.23Å; F135-Y153 HydrophobicContact CZ-CE2 4.34Å; V138-Y153 PolarHBondContact N-O 3.35Å; Y153-I166 HydrophobicContact CE1-CG2 3.73Å; Y153-I166 HydrophobicContact CE2-CB 4.44Å; Y153-I166 HydrophobicContact CE2-CG2 3.76Å; Y153-I166 PolarHBondContact N-O 2.9Å; Y153-I166 VanDerWaalsContact N-O 3.09Å; Y153-I166 WeakPolarHBondContact OH-CG2 3.29Å; Y153-L168 HydrophobicContact CD1-CB 4.36Å; Y153-V191 HydrophobicContact CD2-CG1 4.48Å; Y153-V191 HydrophobicContact CE2-CB 4.37Å; Y153-V191 HydrophobicContact CE2-CG1 3.84Å; Y153-L192 HydrophobicContact CD1-CD2 3.91Å; Y153-L192 HydrophobicContact CD2-CB 4.25Å; Y153-L192 HydrophobicContact CD2-CD2 4.08Å; Y153-L192 HydrophobicContact CE1-CD2 4.11Å; Y153-L192 HydrophobicContact CE2-CB 4.03Å; Y153-L192 HydrophobicContact CE2-CD2 4.29Å; Y153-L192 HydrophobicContact CG-CD2 3.87Å; Y153-T204 PolarHBondContact OH-O 2.78Å
154	G	93.3	Very high	92.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	174	171.7	0	0	0	0	0	114.1	S136 I152 I166	S136-G154 CarbonylContact O-C 3.59Å; S136-G154 VanDerWaalsContact O-CA 3.29Å; S136-G154 WeakPolarHBondContact O-CA 3.5Å; I152-G154 WeakPolarHBondContact CG2-O 3.33Å; G154-I166 PolarHBondContact O-N 3.4Å
155	M	94.7	Very high	92.6	Very high	74 Å²	74	39 Å²	39	37%	0.365	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	140.5	179.4	-64.8	-178	-68.5	0	0	109.6	S136 H164	S136-M155 PolarHBondContact N-O 3.45Å; S136-M155 PolarHBondContact O-N 3Å; M155-H164 WeakPolarHBondContact CA-O 3.5Å
156	V	95.3	Very high	92.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	133.7	174.8	170.6	0	0	0	0	108.4	P92 W133 F135 E158 H164 I166 M205	P92-V156 HydrophobicContact CB-CG1 3.96Å; P92-V156 HydrophobicContact CG-CG1 4.44Å; W133-V156 HydrophobicContact CB-CG1 3.65Å; W133-V156 HydrophobicContact CD2-CG1 4.23Å; W133-V156 HydrophobicContact CE3-CG1 4.11Å; W133-V156 HydrophobicContact CG-CG1 4.08Å; F135-V156 HydrophobicContact CB-CG2 4.44Å; F135-V156 HydrophobicContact CD2-CG2 3.91Å; V156-E158 PolarHBondContact O-N 3.18Å; V156-H164 HydrophobicContact CB-CB 4.27Å; V156-H164 PolarHBondContact N-O 3.36Å; V156-H164 WeakPolarHBondContact O-CA 3.42Å; V156-H164 WeakPolarHBondContact O-CB 3.39Å; V156-H164 PolarHBondContact O-N 3.15Å; V156-I166 HydrophobicContact CB-CD1 4.41Å; V156-I166 HydrophobicContact CG2-CD1 3.95Å; V156-I166 HydrophobicContact CG2-CG1 3.81Å; V156-M205 HydrophobicContact CG2-CE 4.43Å; V156-M205 HydrophobicContact CG2-SD 3.8Å
157	F	90.5	Very high	92.8	Very high	97 Å²	97	30.2 Å²	30.2	43%	0.425	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	98.8	172.1	-66.9	-82.1	0	0	0	108.9	K163	F157-K163 HydrophobicContact CD1-CG 4.17Å; F157-K163 HydrophobicContact CE1-CD 4.08Å; F157-K163 HydrophobicContact CE1-CG 3.97Å
158	E	89.3	Confident	92.8	Very high	11 Å²	11	29.9 Å²	29.9	5%	0.051	16%	0.155	C	C	.	.			trans	-79.4	-46.1	179.2	-175	171.2	-166	0	0	110.9	G93 I94 M95 W133 V156 H164	G93-E158 VanDerWaalsContact CA-OE1 3.3Å; G93-E158 WeakPolarHBondContact CA-OE1 3.17Å; G93-E158 PolarHBondContact N-OE1 3.03Å; I94-E158 PolarHBondContact N-OE1 2.89Å; M95-E158 HydrophobicContact CB-CG 4.28Å; M95-E158 WeakPolarHBondContact CB-OE1 3.38Å; M95-E158 WeakPolarHBondContact CG-OE2 3.44Å; M95-E158 PolarHBondContact N-OE1 3.36Å; W133-E158 HydrophobicContact CH2-CG 4.12Å; W133-E158 HydrophobicContact CZ3-CB 4.37Å; W133-E158 HydrophobicContact CZ3-CG 4.14Å; V156-E158 PolarHBondContact O-N 3.18Å; E158-H164 HydrophobicContact CB-CB 4.19Å; E158-H164 IonicContact OE2-CE1 2.76Å; E158-H164 IonicContact OE2-CG 2.72Å; E158-H164 IonicContact OE2-ND1 3.54Å; E158-H164 PolarHBondContact OE2-ND1 3.38Å
159	N	87.3	Confident	92.8	Very high	44 Å²	44	28 Å²	28	24%	0.235	15%	0.145	C	C	.	.	S	Bend	trans	-141.1	173.1	178.9	-75.2	-37.6	0	0	0	110.2	L161 K307	N159-L161 PolarHBondContact O-N 2.89Å; N159-K307 HydrophobicContact CB-CB 4.17Å; N159-K307 HydrophobicContact CB-CD 4.46Å; N159-K307 PolarHBondContact ND2-O 3.19Å
160	S	87	Confident	92.7	Very high	86 Å²	86	29.1 Å²	29.1	60%	0.601	15%	0.152	S	C	*	.	S	Bend	trans	-56.9	-31	174.3	-40.6	0	0	0	0	113.3	E303	S160-E303 WeakPolarHBondContact CB-OE1 3.41Å; S160-E303 PolarHBondContact OG-OE1 3.03Å
161	L	87	Confident	92.6	Very high	41 Å²	41	37.1 Å²	37.1	22%	0.215	18%	0.18	C	C	.	.	S	Bend	trans	-92.9	-47.5	-174.8	-63.1	85.2	0	0	0	112.7	N159 M296 V298 E303 K307	N159-L161 PolarHBondContact O-N 2.89Å; L161-M296 HydrophobicContact CD2-CE 3.49Å; L161-M296 VanDerWaalsContact CD2-CE 3.49Å; L161-M296 HydrophobicContact CD2-SD 4.15Å; L161-V298 HydrophobicContact CD2-CG2 4.33Å; L161-E303 HydrophobicContact CD1-CB 3.54Å; L161-E303 HydrophobicContact CD1-CG 3.71Å; L161-E303 HydrophobicContact CD2-CB 4.21Å; L161-E303 HydrophobicContact CG-CB 4.23Å; L161-E303 HydrophobicContact CG-CG 4.39Å; L161-K307 HydrophobicContact CD1-CB 3.89Å; L161-K307 HydrophobicContact CD1-CD 3.87Å
162	I	90.8	Very high	92.4	Very high	7 Å²	7	38.2 Å²	38.2	4%	0.036	19%	0.186	C	C	.	.			trans	-100	121.2	-169.2	-59	-59.1	0	0	0	110.2	M95 V271 R308 Y342	M95-I162 HydrophobicContact CE-CG1 4.19Å; M95-I162 HydrophobicContact CE-CG2 4.01Å; I162-V271 HydrophobicContact CD1-CG2 3.93Å; I162-R308 HydrophobicContact CD1-CB 4.26Å; I162-R308 HydrophobicContact CG1-CB 4.19Å; I162-Y342 HydrophobicContact CG2-CE2 4.31Å
163	K	92.7	Very high	92.4	Very high	112 Å²	112	44.5 Å²	44.5	49%	0.487	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	109.2	167.6	-61.2	-179.5	-172.1	176.2	0	108.3	F157 K165 Y342	F157-K163 HydrophobicContact CD1-CG 4.17Å; F157-K163 HydrophobicContact CE1-CD 4.08Å; F157-K163 HydrophobicContact CE1-CG 3.97Å; K163-K165 PolarHBondContact O-N 3.32Å; K163-Y342 PolarHBondContact N-OH 3.02Å; K163-Y342 PolarHBondContact O-OH 3.12Å
164	H	95.8	Very high	92.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	112	-178.5	-157.9	113.7	0	0	0	109.3	G91 M155 V156 E158 Y336 M340	G91-H164 PolarHBondContact O-CE1 3.41Å; M155-H164 WeakPolarHBondContact CA-O 3.5Å; V156-H164 HydrophobicContact CB-CB 4.27Å; V156-H164 PolarHBondContact N-O 3.36Å; V156-H164 WeakPolarHBondContact O-CA 3.42Å; V156-H164 WeakPolarHBondContact O-CB 3.39Å; V156-H164 PolarHBondContact O-N 3.15Å; E158-H164 HydrophobicContact CB-CB 4.19Å; E158-H164 IonicContact OE2-CE1 2.76Å; E158-H164 IonicContact OE2-CG 2.72Å; E158-H164 IonicContact OE2-ND1 3.54Å; E158-H164 PolarHBondContact OE2-ND1 3.38Å; H164-Y336 AromaticContact CE1-CE1 3.72Å; H164-Y336 AromaticContact NE2-CE1 3.51Å; H164-Y336 AromaticContact NE2-CZ 3.51Å; H164-Y336 PolarHBondContact NE2-OH 2.99Å; H164-M340 WeakPolarHBondContact NE2-CE 3.32Å
165	K	95.2	Very high	92.5	Very high	47 Å²	47	46.9 Å²	46.9	20%	0.204	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	113.7	-179	-61	173	-163.2	170.9	0	108.2	I152 K163 M167 M340	I152-K165 HydrophobicContact CD1-CB 3.9Å; I152-K165 HydrophobicContact CD1-CD 3.59Å; I152-K165 HydrophobicContact CD1-CG 4.11Å; I152-K165 HydrophobicContact CG1-CB 4.22Å; I152-K165 HydrophobicContact CG2-CB 4.27Å; K163-K165 PolarHBondContact O-N 3.32Å; K165-M167 PolarHBondContact O-N 3.1Å; K165-M340 HydrophobicContact CB-CB 4.29Å; K165-M340 HydrophobicContact CB-CG 4.17Å; K165-M340 HydrophobicContact CB-SD 4.38Å; K165-M340 HydrophobicContact CD-CB 4.2Å; K165-M340 VanDerWaalsContact CD-O 3.29Å; K165-M340 WeakPolarHBondContact CD-O 3.28Å; K165-M340 WeakPolarHBondContact CE-O 3.15Å; K165-M340 PolarHBondContact NZ-O 2.87Å
166	I	95.4	Very high	92.5	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	121.1	179.5	-50.3	-65	0	0	0	108.5	P92 F135 I152 Y153 G154 V156 M205	P92-I166 HydrophobicContact CG-CD1 4.45Å; F135-I166 HydrophobicContact CE2-CG1 4.33Å; I152-I166 WeakPolarHBondContact CA-O 3.07Å; Y153-I166 HydrophobicContact CE1-CG2 3.73Å; Y153-I166 HydrophobicContact CE2-CB 4.44Å; Y153-I166 HydrophobicContact CE2-CG2 3.76Å; Y153-I166 PolarHBondContact N-O 2.9Å; Y153-I166 VanDerWaalsContact N-O 3.09Å; Y153-I166 WeakPolarHBondContact OH-CG2 3.29Å; G154-I166 PolarHBondContact O-N 3.4Å; V156-I166 HydrophobicContact CB-CD1 4.41Å; V156-I166 HydrophobicContact CG2-CD1 3.95Å; V156-I166 HydrophobicContact CG2-CG1 3.81Å; I166-M205 HydrophobicContact CD1-CB 4.31Å
167	M	95	Very high	92.5	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.025	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	147.4	-173.4	-63	173.8	-66.7	0	0	111	D151 I152 K165 Y336 D339 M340 R400	D151-M167 VanDerWaalsContact O-CA 3.32Å; D151-M167 WeakPolarHBondContact O-CA 3.35Å; I152-M167 HydrophobicContact CG1-CG 3.97Å; K165-M167 PolarHBondContact O-N 3.1Å; M167-Y336 HydrophobicContact CE-CD2 3.99Å; M167-Y336 HydrophobicContact CE-CE2 3.64Å; M167-D339 HydrophobicContact CE-CB 3.91Å; M167-D339 HydrophobicContact SD-CB 4.07Å; M167-D339 VanDerWaalsContact SD-O 3.35Å; M167-M340 HydrophobicContact CE-CE 4.29Å; M167-M340 HydrophobicContact CE-CG 3.56Å; M167-M340 HydrophobicContact SD-CG 4.17Å; M167-R400 PolarHBondContact SD-NH1 3Å
168	L	94.9	Very high	92.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.216	C	C	.	.			trans	-68.6	138.9	171.7	-167.8	69.9	0	0	0	110.2	I147 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 4.32Å; I147-L168 HydrophobicContact CG2-CD2 4.09Å; G150-L168 PolarHBondContact N-O 3.48Å; D151-L168 PolarHBondContact O-N 3.09Å; Y153-L168 HydrophobicContact CD1-CB 4.36Å; L168-N172 HydrophobicContact CD2-CB 4.25Å; L168-N172 WeakPolarHBondContact CD2-O 3.32Å; L168-N172 HydrophobicContact CG-CB 4.29Å; L168-L192 HydrophobicContact CD1-CD2 3.93Å; L168-L194 HydrophobicContact CD1-CD1 3.61Å; L168-L194 HydrophobicContact CD2-CD1 3.54Å; L168-L194 HydrophobicContact CG-CD1 4.24Å; L168-F203 HydrophobicContact CD1-CD1 3.82Å; L168-F203 HydrophobicContact CD1-CD2 4.09Å; 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	94.4	Very high	92.9	Very high	24 Å²	24	46 Å²	46	16%	0.156	22%	0.222	C	C	.	.			trans	-55.5	141.2	175.2	-26.4	35.4	0	0	0	111.9	G149 R171 N172 F203 Q207	G149-P169 WeakPolarHBondContact CA-O 3.4Å; P169-R171 PolarHBondContact O-N 3.5Å; P169-N172 PolarHBondContact O-N 3.25Å; P169-N172 VanDerWaalsContact O-N 3.16Å; P169-F203 HydrophobicContact CG-CD1 4.11Å; P169-F203 HydrophobicContact CG-CE1 4.04Å; P169-Q207 HydrophobicContact CG-CB 3.94Å
170	P	91.8	Very high	93.2	Very high	22 Å²	22	43.9 Å²	43.9	14%	0.143	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-21.7	-167.7	-27.4	33.7	0	0	0	117.2	W209 P216	P170-W209 HydrophobicContact CB-CZ3 4.42Å; P170-W209 HydrophobicContact CG-CH2 4.19Å; P170-W209 HydrophobicContact CG-CZ3 3.91Å; P170-P216 HydrophobicContact CB-CG 3.34Å; P170-P216 HydrophobicContact CG-CG 3.77Å
171	R	91.4	Very high	93.5	Very high	174 Å²	174	43.2 Å²	43.2	66%	0.657	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-10.8	-176.8	-64.7	-173.7	-176.6	175.9	5.1	113.5	P169	P169-R171 PolarHBondContact O-N 3.5Å
172	N	91.3	Very high	93.9	Very high	34 Å²	34	45.7 Å²	45.7	18%	0.182	22%	0.223	C	C	.	.			trans	-98.6	143.9	-172	-59.9	73.8	0	0	0	109.6	T148 G149 L168 P169 E201 F203	T148-N172 CarbonylContact C-O 3.53Å; G149-N172 VanDerWaalsContact CA-O 3.28Å; G149-N172 WeakPolarHBondContact CA-O 3.44Å; G149-N172 PolarHBondContact N-O 3.37Å; L168-N172 HydrophobicContact CD2-CB 4.25Å; L168-N172 WeakPolarHBondContact CD2-O 3.32Å; L168-N172 HydrophobicContact CG-CB 4.29Å; P169-N172 PolarHBondContact O-N 3.25Å; P169-N172 VanDerWaalsContact O-N 3.16Å; N172-E201 PolarHBondContact ND2-OE1 3.28Å; N172-E201 PolarHBondContact ND2-OE2 3.24Å; N172-F203 HydrophobicContact CB-CE1 4.02Å; N172-F203 HydrophobicContact CB-CZ 3.75Å; N172-F203 WeakPolarHBondContact ND2-CZ 3.4Å
173	R	93.4	Very high	94.1	Very high	152 Å²	152	46.5 Å²	46.5	57%	0.574	23%	0.233	S	C	*	.			trans	-151.6	152	176.7	60.2	-177.3	-179.8	-171.4	-0.9	108	I147 F196	I147-R173 WeakPolarHBondContact O-CA 3.25Å; R173-F196 HydrophobicContact CG-CD2 3.99Å; R173-F196 HydrophobicContact CG-CE2 3.79Å; R173-F196 HydrophobicContact CG-CZ 4.27Å; R173-F196 WeakPolarHBondContact O-CB 3.5Å; R173-F196 WeakPolarHBondContact O-CD2 3.03Å; R173-F196 WeakPolarHBondContact O-CG 3.23Å
174	G	93.9	Very high	94.2	Very high	8 Å²	8	46.3 Å²	46.3	8%	0.082	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.1	-175.1	179.3	0	0	0	0	0	113.8	I147 E195	I147-G174 PolarHBondContact N-O 2.97Å; I147-G174 PolarHBondContact O-N 3.05Å; G174-E195 WeakPolarHBondContact CA-O 3.3Å
175	T	95.2	Very high	94.1	Very high	45 Å²	45	48.2 Å²	48.2	28%	0.276	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	133.7	170.1	44	0	0	0	0	110.1	S145 H146 T177 L194 E195	S145-T175 WeakPolarHBondContact O-CA 3.2Å; H146-T175 WeakPolarHBondContact CE1-CG2 3.46Å; H146-T175 VanDerWaalsContact ND1-CG2 3.26Å; H146-T175 WeakPolarHBondContact ND1-CG2 3.28Å; T175-T177 PolarHBondContact O-N 3.12Å; T175-L194 WeakPolarHBondContact O-CA 3.28Å; T175-E195 PolarHBondContact N-O 3.16Å; T175-E195 PolarHBondContact O-N 3.06Å; T175-E195 PolarHBondContact OG1-O 3.28Å; T175-E195 VanDerWaalsContact OG1-O 3.13Å
176	V	95.4	Very high	94.1	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.012	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	120.7	-179.8	177.7	0	0	0	0	110.6	L141 G144 S145 I147 V179 L192 L194	L141-V176 HydrophobicContact CD1-CG2 4Å; L141-V176 HydrophobicContact CD2-CG2 4.33Å; L141-V176 HydrophobicContact CG-CG2 4.23Å; G144-V176 PolarHBondContact N-O 3.07Å; S145-V176 WeakPolarHBondContact O-CG2 3.5Å; S145-V176 PolarHBondContact O-N 2.88Å; I147-V176 HydrophobicContact CB-CG2 4.32Å; I147-V176 HydrophobicContact CG2-CG2 3.94Å; V176-V179 HydrophobicContact CG1-CG2 3.27Å; V176-L192 HydrophobicContact CG1-CD1 3.94Å; V176-L192 HydrophobicContact CG2-CD1 4.28Å; V176-L194 HydrophobicContact CB-CD2 4.23Å; V176-L194 HydrophobicContact CG2-CD2 3.7Å
177	T	94.7	Very high	93.8	Very high	36 Å²	36	47.5 Å²	47.5	22%	0.221	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-33.4	174.4	54.6	0	0	0	0	112.5	V143 T175 E193 E195	V143-T177 VanDerWaalsContact CG1-O 3.31Å; V143-T177 WeakPolarHBondContact CG1-O 3.41Å; T175-T177 PolarHBondContact O-N 3.12Å; T177-E193 PolarHBondContact N-O 3.03Å; T177-E193 VanDerWaalsContact OG1-CB 3.28Å; T177-E193 WeakPolarHBondContact OG1-CB 3.43Å; T177-E193 PolarHBondContact OG1-O 3.25Å; T177-E193 VanDerWaalsContact OG1-O 3.11Å; T177-E195 HydrophobicContact CG2-CB 3.56Å
178	Y	94.6	Very high	93.6	Very high	96 Å²	96	50 Å²	50	38%	0.376	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	139.8	179.4	169.8	-99.5	0	0	0	110.5	A180 E193	Y178-A180 HydrophobicContact CE1-CB 4.32Å; Y178-E193 HydrophobicContact CD1-CG 4.09Å; Y178-E193 PolarHBondContact N-O 3.32Å; Y178-E193 PolarHBondContact O-N 3.31Å
179	V	93.9	Very high	93.5	Very high	28 Å²	28	52.8 Å²	52.8	17%	0.17	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	131.6	171	-173.7	0	0	0	0	107.2	P137 L141 V176 L192	P137-V179 HydrophobicContact CB-CG1 3.82Å; L141-V179 HydrophobicContact CD2-CG2 3.98Å; L141-V179 HydrophobicContact CG-CG2 4.44Å; V176-V179 HydrophobicContact CG1-CG2 3.27Å; V179-L192 HydrophobicContact CG2-CD1 3.86Å
180	A	93.9	Very high	93.5	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.008	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-64.8	138.7	175.7	0	0	0	0	0	111.3	Y178 Y185 V191	Y178-A180 HydrophobicContact CE1-CB 4.32Å; A180-Y185 HydrophobicContact CB-CE1 4.32Å; A180-Y185 HydrophobicContact CB-CE2 4.39Å; A180-V191 HydrophobicContact CB-CG1 4.22Å; A180-V191 PolarHBondContact N-O 2.96Å
181	P	93.9	Very high	93.7	Very high	71 Å²	71	53 Å²	53	46%	0.461	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-64.6	165.4	173.8	27.6	-33.3	0	0	0	111.4	G183 Y185	P181-G183 PolarHBondContact O-N 3.09Å; P181-Y185 WeakPolarHBondContact CD-OH 3.43Å; P181-Y185 WeakPolarHBondContact CG-OH 3.37Å; P181-Y185 VanDerWaalsContact O-CE2 3.25Å; P181-Y185 WeakPolarHBondContact O-CE2 3.12Å; P181-Y185 PolarHBondContact O-OH 3.39Å; P181-Y185 VanDerWaalsContact O-OH 3.13Å
182	P	94.9	Very high	93.8	Very high	93 Å²	93	44.8 Å²	44.8	60%	0.604	25%	0.246	S	C	*	.	S	Bend	trans	-62.1	133.7	173.7	26.8	-34.1	0	0	0	110.5	F135	F135-P182 VanDerWaalsContact O-CA 3.25Å; F135-P182 WeakPolarHBondContact O-CA 3.29Å
183	G	94.1	Very high	94	Very high	24 Å²	24	45.2 Å²	45.2	25%	0.247	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.7	-178.6	-174.5	0	0	0	0	0	113.5	F135 P181 Y185	F135-G183 PolarHBondContact N-O 3.48Å; F135-G183 PolarHBondContact O-N 3.13Å; F135-G183 VanDerWaalsContact O-N 3.15Å; P181-G183 PolarHBondContact O-N 3.09Å; G183-Y185 WeakPolarHBondContact O-CD2 3.43Å
184	N	95.4	Very high	94	Very high	108 Å²	108	38.2 Å²	38.2	58%	0.578	22%	0.221	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.7	115.3	176.8	-69.1	-47.5	0	0	0	110	K132 W133	K132-N184 HydrophobicContact CB-CB 4.32Å; W133-N184 WeakPolarHBondContact O-CA 3.2Å
185	Y	94.6	Very high	94.1	Very high	41 Å²	41	41 Å²	41	16%	0.161	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	150.8	-178.3	-64.2	-85.1	0	0	0	110.1	K132 W133 F135 A180 P181 G183 D189 M205	K132-Y185 CarbonylContact C-O 2.97Å; K132-Y185 WeakPolarHBondContact CA-O 3.35Å; W133-Y185 PolarHBondContact N-O 3.42Å; W133-Y185 PolarHBondContact O-N 2.66Å; F135-Y185 HydrophobicContact CB-CD2 3.82Å; F135-Y185 HydrophobicContact CB-CE2 4.39Å; F135-Y185 HydrophobicContact CD1-CE2 4.49Å; A180-Y185 HydrophobicContact CB-CE1 4.32Å; A180-Y185 HydrophobicContact CB-CE2 4.39Å; P181-Y185 WeakPolarHBondContact CD-OH 3.43Å; P181-Y185 WeakPolarHBondContact CG-OH 3.37Å; P181-Y185 VanDerWaalsContact O-CE2 3.25Å; P181-Y185 WeakPolarHBondContact O-CE2 3.12Å; P181-Y185 PolarHBondContact O-OH 3.39Å; P181-Y185 VanDerWaalsContact O-OH 3.13Å; G183-Y185 WeakPolarHBondContact O-CD2 3.43Å; Y185-D189 WeakPolarHBondContact CA-OD2 3.29Å; Y185-D189 HydrophobicContact CD1-CB 3.97Å; Y185-D189 HydrophobicContact CG-CB 4.49Å; Y185-M205 HydrophobicContact CD2-CE 4.42Å; Y185-M205 HydrophobicContact CG-CE 4.31Å
186	D	93.4	Very high	94	Very high	32 Å²	32	42.7 Å²	42.7	17%	0.171	24%	0.235	C	C	.	.			trans	-80.9	176.1	166.2	71.3	44.8	0	0	0	111.1	R129 S188 D189	R129-D186 WeakPolarHBondContact O-CB 3.37Å; D186-S188 PolarHBondContact O-N 2.72Å; D186-S188 VanDerWaalsContact OD1-C 3.31Å; D186-S188 VanDerWaalsContact OD1-CA 3.22Å; D186-S188 WeakPolarHBondContact OD1-CA 3.35Å; D186-S188 WeakPolarHBondContact OD1-CB 3.31Å; D186-S188 PolarHBondContact OD1-N 3.46Å; D186-S188 PolarHBondContact OD1-OG 3.27Å; D186-S188 PolarHBondContact OD2-OG 3.34Å; D186-D189 PolarHBondContact N-OD2 2.71Å; D186-D189 PolarHBondContact OD1-N 3.42Å
187	V	90.4	Very high	93.7	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.006	27%	0.27	C	S	.	.	S	Bend	trans	-78.3	-11.7	-176.2	-140.1	0	0	0	0	113.4	P92 N128 T204 M205 I206	P92-V187 HydrophobicContact CG-CG1 3.98Å; N128-V187 VanDerWaalsContact O-CG2 3.31Å; N128-V187 WeakPolarHBondContact O-CG2 3.44Å; V187-T204 WeakPolarHBondContact O-CB 3.2Å; V187-T204 PolarHBondContact O-OG1 3.09Å; V187-M205 HydrophobicContact CG1-CB 3.82Å; V187-I206 HydrophobicContact CB-CD1 3.52Å; V187-I206 HydrophobicContact CB-CG1 4.16Å; V187-I206 HydrophobicContact CG1-CB 4.41Å; V187-I206 HydrophobicContact CG1-CD1 3.25Å; V187-I206 HydrophobicContact CG1-CG1 3.3Å
188	S	89.8	Confident	93.4	Very high	59 Å²	59	51.4 Å²	51.4	41%	0.413	29%	0.289	S	S	.	.	S	Bend	trans	-97.8	-16.3	178.7	71.4	0	0	0	0	113.9	D186 T204	D186-S188 PolarHBondContact O-N 2.72Å; D186-S188 VanDerWaalsContact OD1-C 3.31Å; D186-S188 VanDerWaalsContact OD1-CA 3.22Å; D186-S188 WeakPolarHBondContact OD1-CA 3.35Å; D186-S188 WeakPolarHBondContact OD1-CB 3.31Å; D186-S188 PolarHBondContact OD1-N 3.46Å; D186-S188 PolarHBondContact OD1-OG 3.27Å; D186-S188 PolarHBondContact OD2-OG 3.34Å; S188-T204 VanDerWaalsContact O-CG2 3.28Å; S188-T204 WeakPolarHBondContact O-CG2 3.45Å
189	D	93.8	Very high	93.3	Very high	58 Å²	58	54 Å²	54	31%	0.31	31%	0.307	S	S	.	.	S	Bend	trans	-61.1	142.2	175.3	-76.6	-34.2	0	0	0	111	Y185 D186 V191 T204	Y185-D189 WeakPolarHBondContact CA-OD2 3.29Å; Y185-D189 HydrophobicContact CD1-CB 3.97Å; Y185-D189 HydrophobicContact CG-CB 4.49Å; D186-D189 PolarHBondContact N-OD2 2.71Å; D186-D189 PolarHBondContact OD1-N 3.42Å; D189-V191 PolarHBondContact O-N 3.11Å; D189-T204 WeakPolarHBondContact O-CA 3.47Å; D189-T204 WeakPolarHBondContact O-CB 3.45Å; D189-T204 WeakPolarHBondContact O-CG2 3.49Å
190	V	94.9	Very high	93.2	Very high	51 Å²	51	59.1 Å²	59.1	31%	0.309	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	116.8	178.8	-179.5	0	0	0	0	109	E193 K202	V190-E193 HydrophobicContact CG1-CG 4.09Å; V190-K202 HydrophobicContact CG1-CB 3.99Å; V190-K202 HydrophobicContact CG1-CD 4.44Å; V190-K202 HydrophobicContact CG1-CG 4.37Å; V190-K202 HydrophobicContact CG2-CB 4.39Å; V190-K202 HydrophobicContact CG2-CD 4.29Å
191	V	94.4	Very high	93.2	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-29.5	-175.2	-178.2	0	0	0	0	111.9	F135 Y153 A180 D189 F203 M205	F135-V191 HydrophobicContact CD1-CG1 3.9Å; F135-V191 HydrophobicContact CD2-CG1 4.09Å; F135-V191 HydrophobicContact CE1-CG1 3.33Å; F135-V191 HydrophobicContact CE2-CG1 3.55Å; F135-V191 HydrophobicContact CG-CG1 4.26Å; F135-V191 HydrophobicContact CZ-CG1 3.14Å; Y153-V191 HydrophobicContact CD2-CG1 4.48Å; Y153-V191 HydrophobicContact CE2-CB 4.37Å; Y153-V191 HydrophobicContact CE2-CG1 3.84Å; A180-V191 HydrophobicContact CB-CG1 4.22Å; A180-V191 PolarHBondContact N-O 2.96Å; D189-V191 PolarHBondContact O-N 3.11Å; V191-F203 PolarHBondContact N-O 2.98Å; V191-M205 HydrophobicContact CG2-CE 3.76Å; V191-M205 HydrophobicContact CG2-CG 3.69Å
192	L	93.9	Very high	93.3	Very high	0 Å²	0	67 Å²	67	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	136.4	-175.2	-179	74.2	0	0	0	110.5	L141 I147 Y153 L168 V176 V179 L194 F203	L141-L192 HydrophobicContact CD2-CD1 4.29Å; I147-L192 HydrophobicContact CD1-CD2 4.48Å; Y153-L192 HydrophobicContact CD1-CD2 3.91Å; Y153-L192 HydrophobicContact CD2-CB 4.25Å; Y153-L192 HydrophobicContact CD2-CD2 4.08Å; Y153-L192 HydrophobicContact CE1-CD2 4.11Å; Y153-L192 HydrophobicContact CE2-CB 4.03Å; Y153-L192 HydrophobicContact CE2-CD2 4.29Å; Y153-L192 HydrophobicContact CG-CD2 3.87Å; L168-L192 HydrophobicContact CD1-CD2 3.93Å; V176-L192 HydrophobicContact CG1-CD1 3.94Å; V176-L192 HydrophobicContact CG2-CD1 4.28Å; V179-L192 HydrophobicContact CG2-CD1 3.86Å; L192-L194 HydrophobicContact CD1-CD2 4.07Å; L192-L194 HydrophobicContact CD2-CD1 4.37Å; L192-L194 HydrophobicContact CD2-CD2 3.93Å; L192-L194 HydrophobicContact CD2-CG 4.15Å; L192-L194 HydrophobicContact CG-CD2 3.9Å; L192-L194 HydrophobicContact CG-CG 4.23Å; L192-F203 HydrophobicContact CB-CB 4.18Å; L192-F203 PolarHBondContact N-O 3.09Å; L192-F203 PolarHBondContact O-N 3.13Å
193	E	95.4	Very high	93.3	Very high	44 Å²	44	63.2 Å²	63.2	21%	0.206	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	131.4	167.7	-57.9	-172.8	156	0	0	109.7	T177 Y178 V190 E201 K202	T177-E193 PolarHBondContact N-O 3.03Å; T177-E193 VanDerWaalsContact OG1-CB 3.28Å; T177-E193 WeakPolarHBondContact OG1-CB 3.43Å; T177-E193 PolarHBondContact OG1-O 3.25Å; T177-E193 VanDerWaalsContact OG1-O 3.11Å; Y178-E193 HydrophobicContact CD1-CG 4.09Å; Y178-E193 PolarHBondContact N-O 3.32Å; Y178-E193 PolarHBondContact O-N 3.31Å; V190-E193 HydrophobicContact CG1-CG 4.09Å; E193-E201 WeakPolarHBondContact CA-O 3.3Å; E193-K202 HydrophobicContact CG-CG 4.2Å; E193-K202 VanDerWaalsContact OE1-CE 3.27Å; E193-K202 WeakPolarHBondContact OE1-CE 3.44Å; E193-K202 IonicContact OE1-NZ 3.78Å
194	L	94.5	Very high	93.3	Very high	4 Å²	4	64 Å²	64	2%	0.021	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	145.1	177	-56.6	-174.9	0	0	0	110.4	I147 L168 T175 V176 L192 K200 E201 F203	I147-L194 HydrophobicContact CG2-CD1 3.65Å; I147-L194 HydrophobicContact CG2-CD2 3.48Å; I147-L194 VanDerWaalsContact CG2-CD2 3.48Å; I147-L194 HydrophobicContact CG2-CG 4.24Å; L168-L194 HydrophobicContact CD1-CD1 3.61Å; L168-L194 HydrophobicContact CD2-CD1 3.54Å; L168-L194 HydrophobicContact CG-CD1 4.24Å; T175-L194 WeakPolarHBondContact O-CA 3.28Å; V176-L194 HydrophobicContact CB-CD2 4.23Å; V176-L194 HydrophobicContact CG2-CD2 3.7Å; L192-L194 HydrophobicContact CD1-CD2 4.07Å; L192-L194 HydrophobicContact CD2-CD1 4.37Å; L192-L194 HydrophobicContact CD2-CD2 3.93Å; L192-L194 HydrophobicContact CD2-CG 4.15Å; L192-L194 HydrophobicContact CG-CD2 3.9Å; L192-L194 HydrophobicContact CG-CG 4.23Å; L194-K200 CarbonylContact O-C 3.57Å; L194-K200 WeakPolarHBondContact O-CA 3.25Å; L194-E201 PolarHBondContact N-O 3.44Å; L194-E201 PolarHBondContact O-N 3.13Å; L194-F203 HydrophobicContact CB-CE2 3.97Å; L194-F203 HydrophobicContact CD1-CD2 4.22Å; L194-F203 HydrophobicContact CD1-CE2 3.65Å; L194-F203 HydrophobicContact CD1-CZ 4.21Å; L194-F203 HydrophobicContact CG-CD2 4.02Å; L194-F203 HydrophobicContact CG-CE2 3.7Å
195	E	95.1	Very high	93.2	Very high	68 Å²	68	59.1 Å²	59.1	32%	0.318	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	127.5	170.1	-173.7	170.6	167.2	0	0	109.7	G174 T175 T177 M199 K200	G174-E195 WeakPolarHBondContact CA-O 3.3Å; T175-E195 PolarHBondContact N-O 3.16Å; T175-E195 PolarHBondContact O-N 3.06Å; T175-E195 PolarHBondContact OG1-O 3.28Å; T175-E195 VanDerWaalsContact OG1-O 3.13Å; T177-E195 HydrophobicContact CG2-CB 3.56Å; E195-M199 WeakPolarHBondContact CA-O 3.26Å; E195-K200 HydrophobicContact CB-CG 4.29Å; E195-K200 HydrophobicContact CG-CG 4.27Å; E195-K200 VanDerWaalsContact OE2-CE 3.29Å; E195-K200 WeakPolarHBondContact OE2-CE 3.49Å
196	F	92.3	Very high	93.1	Very high	79 Å²	79	58.3 Å²	58.3	35%	0.346	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	124.6	174.2	-173.4	-101.8	0	0	0	108.8	R173 G198 M199	R173-F196 HydrophobicContact CG-CD2 3.99Å; R173-F196 HydrophobicContact CG-CE2 3.79Å; R173-F196 HydrophobicContact CG-CZ 4.27Å; R173-F196 WeakPolarHBondContact O-CB 3.5Å; R173-F196 WeakPolarHBondContact O-CD2 3.03Å; R173-F196 WeakPolarHBondContact O-CG 3.23Å; F196-G198 PolarHBondContact O-N 2.75Å; F196-G198 VanDerWaalsContact O-N 3.09Å; F196-M199 PolarHBondContact N-O 3.38Å; F196-M199 PolarHBondContact O-N 3.18Å
197	E	90.6	Very high	93.1	Very high	161 Å²	161	57.3 Å²	57.3	75%	0.752	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	34.9	-179.9	-63.8	178.5	-178.8	0	0	114	M199	E197-M199 VanDerWaalsContact C-N 3.28Å; E197-M199 PolarHBondContact O-N 2.9Å
198	G	87.1	Confident	93.3	Very high	60 Å²	60	59.2 Å²	59.2	62%	0.619	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.8	-0.1	179.9	0	0	0	0	0	115.1	F196	F196-G198 PolarHBondContact O-N 2.75Å; F196-G198 VanDerWaalsContact O-N 3.09Å
199	M	92.3	Very high	93.5	Very high	150 Å²	150	57 Å²	57	74%	0.739	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	129.2	171.1	-60.2	-170.4	-162.1	0	0	110.2	E195 F196 E197	E195-M199 WeakPolarHBondContact CA-O 3.26Å; F196-M199 PolarHBondContact N-O 3.38Å; F196-M199 PolarHBondContact O-N 3.18Å; E197-M199 VanDerWaalsContact C-N 3.28Å; E197-M199 PolarHBondContact O-N 2.9Å
200	K	93.4	Very high	93.6	Very high	137 Å²	137	55.5 Å²	55.5	60%	0.596	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	122.5	174.9	-68.2	-172.8	178.4	-174.3	0	110.6	L194 E195	L194-K200 CarbonylContact O-C 3.57Å; L194-K200 WeakPolarHBondContact O-CA 3.25Å; E195-K200 HydrophobicContact CB-CG 4.29Å; E195-K200 HydrophobicContact CG-CG 4.27Å; E195-K200 VanDerWaalsContact OE2-CE 3.29Å; E195-K200 WeakPolarHBondContact OE2-CE 3.49Å
201	E	93.8	Very high	93.6	Very high	97 Å²	97	53 Å²	53	45%	0.453	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	137.9	178.6	-165.8	177.4	-173.8	0	0	110.5	N172 E193 L194 F203	N172-E201 PolarHBondContact ND2-OE1 3.28Å; N172-E201 PolarHBondContact ND2-OE2 3.24Å; E193-E201 WeakPolarHBondContact CA-O 3.3Å; L194-E201 PolarHBondContact N-O 3.44Å; L194-E201 PolarHBondContact O-N 3.13Å; E201-F203 HydrophobicContact CB-CE2 3.9Å; E201-F203 HydrophobicContact CB-CZ 4.2Å; E201-F203 VanDerWaalsContact CD-CZ 3.43Å; E201-F203 HydrophobicContact CG-CE2 3.89Å; E201-F203 HydrophobicContact CG-CZ 3.81Å; E201-F203 WeakPolarHBondContact OE2-CZ 3.5Å
202	K	94.9	Very high	93.5	Very high	140 Å²	140	56 Å²	56	61%	0.609	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104	132.4	-178.1	-60.1	-172.8	176.4	-171	0	110.2	V190 E193	V190-K202 HydrophobicContact CG1-CB 3.99Å; V190-K202 HydrophobicContact CG1-CD 4.44Å; V190-K202 HydrophobicContact CG1-CG 4.37Å; V190-K202 HydrophobicContact CG2-CB 4.39Å; V190-K202 HydrophobicContact CG2-CD 4.29Å; E193-K202 HydrophobicContact CG-CG 4.2Å; E193-K202 VanDerWaalsContact OE1-CE 3.27Å; E193-K202 WeakPolarHBondContact OE1-CE 3.44Å; E193-K202 IonicContact OE1-NZ 3.78Å
203	F	94.4	Very high	93.4	Very high	14 Å²	14	59.7 Å²	59.7	6%	0.061	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	135.9	179.1	-62.5	-88.8	0	0	0	110.6	L168 P169 N172 V191 L192 L194 E201	L168-F203 HydrophobicContact CD1-CD1 3.82Å; L168-F203 HydrophobicContact CD1-CD2 4.09Å; 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 4.11Å; P169-F203 HydrophobicContact CG-CE1 4.04Å; N172-F203 HydrophobicContact CB-CE1 4.02Å; N172-F203 HydrophobicContact CB-CZ 3.75Å; N172-F203 WeakPolarHBondContact ND2-CZ 3.4Å; V191-F203 PolarHBondContact N-O 2.98Å; L192-F203 HydrophobicContact CB-CB 4.18Å; L192-F203 PolarHBondContact N-O 3.09Å; L192-F203 PolarHBondContact O-N 3.13Å; L194-F203 HydrophobicContact CB-CE2 3.97Å; L194-F203 HydrophobicContact CD1-CD2 4.22Å; L194-F203 HydrophobicContact CD1-CE2 3.65Å; L194-F203 HydrophobicContact CD1-CZ 4.21Å; L194-F203 HydrophobicContact CG-CD2 4.02Å; L194-F203 HydrophobicContact CG-CE2 3.7Å; E201-F203 HydrophobicContact CB-CE2 3.9Å; E201-F203 HydrophobicContact CB-CZ 4.2Å; E201-F203 VanDerWaalsContact CD-CZ 3.43Å; E201-F203 HydrophobicContact CG-CE2 3.89Å; E201-F203 HydrophobicContact CG-CZ 3.81Å; E201-F203 WeakPolarHBondContact OE2-CZ 3.5Å
204	T	94.7	Very high	93.5	Very high	41 Å²	41	62.5 Å²	62.5	25%	0.252	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	-177.4	171.3	71.7	0	0	0	0	109.3	Y153 V187 S188 D189 I206	Y153-T204 PolarHBondContact OH-O 2.78Å; V187-T204 WeakPolarHBondContact O-CB 3.2Å; V187-T204 PolarHBondContact O-OG1 3.09Å; S188-T204 VanDerWaalsContact O-CG2 3.28Å; S188-T204 WeakPolarHBondContact O-CG2 3.45Å; D189-T204 WeakPolarHBondContact O-CA 3.47Å; D189-T204 WeakPolarHBondContact O-CB 3.45Å; D189-T204 WeakPolarHBondContact O-CG2 3.49Å; T204-I206 PolarHBondContact O-N 3.16Å; T204-I206 PolarHBondContact OG1-N 2.98Å; T204-I206 PolarHBondContact OG1-O 3.29Å
205	M	93.1	Very high	93.5	Very high	4 Å²	4	62.6 Å²	62.6	2%	0.02	31%	0.312	C	S	.	.	S	Bend	trans	-70.6	-17.6	175.1	-61	-169.6	-164.5	0	0	113.7	P92 F135 V156 I166 Y185 V187 V191	P92-M205 HydrophobicContact CG-CB 4.26Å; P92-M205 HydrophobicContact CG-SD 4.16Å; F135-M205 HydrophobicContact CB-CE 3.6Å; F135-M205 HydrophobicContact CD2-CE 3.85Å; F135-M205 HydrophobicContact CG-CE 3.88Å; V156-M205 HydrophobicContact CG2-CE 4.43Å; V156-M205 HydrophobicContact CG2-SD 3.8Å; I166-M205 HydrophobicContact CD1-CB 4.31Å; Y185-M205 HydrophobicContact CD2-CE 4.42Å; Y185-M205 HydrophobicContact CG-CE 4.31Å; V187-M205 HydrophobicContact CG1-CB 3.82Å; V191-M205 HydrophobicContact CG2-CE 3.76Å; V191-M205 HydrophobicContact CG2-CG 3.69Å
206	I	93.7	Very high	93.5	Very high	24 Å²	24	61.7 Å²	61.7	12%	0.123	31%	0.313	C	S	.	.			trans	-93.1	133.9	175.8	-76.5	153.4	0	0	0	110.7	E89 L90 L127 V187 T204 V208	E89-I206 HydrophobicContact CB-CG2 4Å; E89-I206 HydrophobicContact CG-CG2 4.42Å; L90-I206 WeakPolarHBondContact O-CA 3.24Å; L127-I206 HydrophobicContact CB-CD1 4.24Å; L127-I206 HydrophobicContact CD1-CD1 3.98Å; L127-I206 HydrophobicContact CD1-CG1 3.7Å; V187-I206 HydrophobicContact CB-CD1 3.52Å; V187-I206 HydrophobicContact CB-CG1 4.16Å; V187-I206 HydrophobicContact CG1-CB 4.41Å; V187-I206 HydrophobicContact CG1-CD1 3.25Å; V187-I206 HydrophobicContact CG1-CG1 3.3Å; T204-I206 PolarHBondContact O-N 3.16Å; T204-I206 PolarHBondContact OG1-N 2.98Å; T204-I206 PolarHBondContact OG1-O 3.29Å; I206-V208 HydrophobicContact CG2-CG2 4.3Å
207	Q	93.5	Very high	93.7	Very high	11 Å²	11	60 Å²	60	5%	0.051	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	150.8	161.1	67.9	-174	-62.7	0	0	110.2	L90 P169	L90-Q207 HydrophobicContact CB-CG 3.72Å; L90-Q207 HydrophobicContact CD1-CG 4.21Å; L90-Q207 HydrophobicContact CG-CG 4.46Å; L90-Q207 PolarHBondContact N-O 3.12Å; L90-Q207 PolarHBondContact O-N 3.33Å; P169-Q207 HydrophobicContact CG-CB 3.94Å
208	V	92.9	Very high	93.9	Very high	42 Å²	42	56.1 Å²	56.1	26%	0.255	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	128.3	176.2	174.2	0	0	0	0	108.7	M1 L3 V88 E89 I206	M1-V208 WeakPolarHBondContact O-CG2 3.42Å; L3-V208 HydrophobicContact CD1-CG1 4.18Å; L3-V208 HydrophobicContact CG-CG1 4.25Å; L3-V208 HydrophobicContact CG-CG2 4.47Å; V88-V208 WeakPolarHBondContact O-CA 3.4Å; E89-V208 HydrophobicContact CG-CG2 4.3Å; I206-V208 HydrophobicContact CG2-CG2 4.3Å
209	W	94.9	Very high	94.3	Very high	11 Å²	11	57.8 Å²	57.8	4%	0.042	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	133.1	-176.3	-169.1	-95	0	0	0	112.1	S87 V88 L90 P170 V211 Q213 R215 P216 T332	S87-W209 CarbonylContact C-O 3.53Å; S87-W209 VanDerWaalsContact CA-O 3.23Å; S87-W209 WeakPolarHBondContact CA-O 3.36Å; S87-W209 WeakPolarHBondContact CB-O 3.13Å; V88-W209 PolarHBondContact N-O 3.4Å; V88-W209 PolarHBondContact O-N 3.26Å; L90-W209 HydrophobicContact CD1-CB 3.67Å; L90-W209 HydrophobicContact CD1-CG 4.46Å; P170-W209 HydrophobicContact CB-CZ3 4.42Å; P170-W209 HydrophobicContact CG-CH2 4.19Å; P170-W209 HydrophobicContact CG-CZ3 3.91Å; W209-V211 PolarHBondContact O-N 2.87Å; W209-Q213 HydrophobicContact CZ2-CG 4.12Å; W209-Q213 PolarHBondContact NE1-O 3.31Å; W209-R215 HydrophobicContact CD2-CG 4.21Å; W209-R215 HydrophobicContact CG-CG 4.31Å; W209-R215 HydrophobicContact CZ2-CG 4.1Å; W209-P216 HydrophobicContact CH2-CG 4.34Å; W209-T332 HydrophobicContact CG-CG2 4.42Å
210	P	95.3	Very high	94.5	Very high	27 Å²	27	56.5 Å²	56.5	18%	0.175	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	129.6	176.2	-21.4	33.4	0	0	0	112.6	P85 L86 R212 Q213	P85-P210 HydrophobicContact CG-CB 3.92Å; P85-P210 HydrophobicContact CG-CG 3.99Å; L86-P210 WeakPolarHBondContact O-CA 2.86Å; P210-R212 VanDerWaalsContact C-N 3.32Å; P210-R212 PolarHBondContact O-N 3.43Å; P210-Q213 HydrophobicContact CB-CB 4.11Å; P210-Q213 PolarHBondContact O-N 3.04Å
211	V	94.8	Very high	94.6	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-27.6	-172.6	-59.3	0	0	0	0	113.9	L86 V88 W209 Q213 T332 R388	L86-V211 HydrophobicContact CB-CG2 4.24Å; L86-V211 HydrophobicContact CD2-CG2 3.79Å; L86-V211 HydrophobicContact CG-CG2 3.87Å; L86-V211 PolarHBondContact O-N 3.29Å; V88-V211 HydrophobicContact CB-CG1 4.15Å; V88-V211 HydrophobicContact CG1-CG1 3.34Å; V88-V211 HydrophobicContact CG2-CG1 3.88Å; W209-V211 PolarHBondContact O-N 2.87Å; V211-Q213 VanDerWaalsContact C-N 3.31Å; V211-T332 WeakPolarHBondContact CA-OG1 3.42Å; V211-T332 PolarHBondContact O-OG1 2.95Å; V211-R388 PolarHBondContact O-NH1 2.68Å
212	R	92.1	Very high	94.6	Very high	62 Å²	62	52.5 Å²	52.5	23%	0.234	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-8.3	178.8	-61	-174.9	-177	-85.3	7.9	112.7	E53 P210 E324 Y328	E53-R212 IonicContact OE1-CZ 3.29Å; E53-R212 IonicContact OE1-NE 2.73Å; E53-R212 PolarHBondContact OE1-NE 3.22Å; E53-R212 IonicContact OE1-NH2 3.75Å; E53-R212 IonicContact OE2-CZ 3.74Å; E53-R212 IonicContact OE2-NE 3.56Å; E53-R212 IonicContact OE2-NH2 2.75Å; E53-R212 PolarHBondContact OE2-NH2 3.29Å; P210-R212 VanDerWaalsContact C-N 3.32Å; P210-R212 PolarHBondContact O-N 3.43Å; R212-E324 IonicContact CZ-OE1 4Å; R212-E324 IonicContact NH1-OE1 3.77Å; R212-E324 PolarHBondContact NH1-OE1 2.79Å; R212-E324 IonicContact NH2-OE1 3.07Å; R212-E324 PolarHBondContact NH2-OE1 2.61Å; R212-Y328 VanDerWaalsContact NH1-CE2 3.3Å
213	Q	93.4	Very high	94.6	Very high	77 Å²	77	46.6 Å²	46.6	36%	0.36	25%	0.249	S	C	.	.	S	Bend	trans	-101	126.3	179.4	-173.9	164.9	12.4	0	0	111.1	W209 P210 V211 R215	W209-Q213 HydrophobicContact CZ2-CG 4.12Å; W209-Q213 PolarHBondContact NE1-O 3.31Å; P210-Q213 HydrophobicContact CB-CB 4.11Å; P210-Q213 PolarHBondContact O-N 3.04Å; V211-Q213 VanDerWaalsContact C-N 3.31Å; Q213-R215 PolarHBondContact O-N 3.13Å
214	I	95.6	Very high	94.5	Very high	104 Å²	104	49.4 Å²	49.4	53%	0.533	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-63.5	132.4	176.2	-55.5	175.4	0	0	0	109.3	R388	I214-R388 HydrophobicContact CD1-CG 4.32Å; I214-R388 HydrophobicContact CG1-CG 4.03Å; I214-R388 HydrophobicContact CG2-CG 4.49Å
215	R	95.1	Very high	94.5	Very high	5 Å²	5	50.2 Å²	50.2	2%	0.019	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-68.4	129.8	174.3	-71.2	-172.6	61	87.2	5.7	110.9	W209 Q213 E335 D339	W209-R215 HydrophobicContact CD2-CG 4.21Å; W209-R215 HydrophobicContact CG-CG 4.31Å; W209-R215 HydrophobicContact CZ2-CG 4.1Å; Q213-R215 PolarHBondContact O-N 3.13Å; R215-E335 HydrophobicContact CB-CB 4.16Å; R215-E335 WeakPolarHBondContact CB-OE2 3.43Å; R215-E335 HydrophobicContact CG-CB 4.14Å; R215-E335 WeakPolarHBondContact CG-OE2 3.43Å; R215-E335 PolarHBondContact N-OE2 3.3Å; R215-E335 VanDerWaalsContact N-OE2 3.12Å; R215-D339 IonicContact CZ-OD2 3.64Å; R215-D339 VanDerWaalsContact CZ-OD2 3.23Å; R215-D339 IonicContact NE-OD2 3.9Å; R215-D339 PolarHBondContact NE-OD2 2.71Å; R215-D339 IonicContact NH2-OD2 3.3Å; R215-D339 PolarHBondContact NH2-OD2 2.87Å
216	P	95.9	Very high	94.7	Very high	50 Å²	50	50.2 Å²	50.2	33%	0.325	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-68.3	144.4	-177.4	29.8	-36	0	0	0	111.3	P170 W209 L395	P170-P216 HydrophobicContact CB-CG 3.34Å; P170-P216 HydrophobicContact CG-CG 3.77Å; W209-P216 HydrophobicContact CH2-CG 4.34Å; P216-L395 HydrophobicContact CB-CD1 4.25Å
217	V	95.8	Very high	94.8	Very high	42 Å²	42	49.2 Å²	49.2	26%	0.255	26%	0.261	S	S	.	.			trans	-132.8	162.1	179.4	-62.6	0	0	0	0	109.2	V392	V217-V392 HydrophobicContact CB-CB 4.19Å; V217-V392 HydrophobicContact CB-CG2 4.3Å; V217-V392 HydrophobicContact CG1-CB 4.15Å; V217-V392 HydrophobicContact CG1-CG1 4.35Å; V217-V392 HydrophobicContact CG1-CG2 3.81Å; V217-V392 HydrophobicContact CG2-CB 4.39Å; V217-V392 HydrophobicContact CG2-CG1 4.32Å
218	T	95.4	Very high	94.9	Very high	81 Å²	81	50.5 Å²	50.5	50%	0.497	27%	0.268	S	S	.	.	S	Bend	trans	-72.1	-54.1	179.3	-56.2	0	0	0	0	110.7	K393 C394 L395	T218-K393 WeakPolarHBondContact CB-O 3.27Å; T218-K393 PolarHBondContact N-O 3.2Å; T218-C394 PolarHBondContact OG1-O 3.28Å; T218-L395 WeakPolarHBondContact OG1-CA 3.4Å
219	E	95.6	Very high	94.8	Very high	95 Å²	95	48.6 Å²	48.6	44%	0.444	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	151.5	179.3	56.4	-178.8	179.1	0	0	110.7	L221 V392 K393	E219-L221 HydrophobicContact CG-CD2 4.21Å; E219-V392 WeakPolarHBondContact O-CA 3.47Å; E219-K393 HydrophobicContact CG-CB 3.61Å; E219-K393 HydrophobicContact CG-CD 4.25Å; E219-K393 PolarHBondContact O-N 3.5Å; E219-K393 WeakPolarHBondContact OE1-CD 3.48Å
220	K	95.3	Very high	94.5	Very high	123 Å²	123	48.1 Å²	48.1	54%	0.535	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	131.9	170.5	-72.4	-161.5	171.8	-167.2	0	109.2	E387 V392	K220-E387 PolarHBondContact NZ-O 2.91Å; K220-E387 IonicContact NZ-OE2 2.66Å; K220-V392 HydrophobicContact CG-CG1 4.15Å
221	L	95.8	Very high	94.4	Very high	41 Å²	41	47.2 Å²	47.2	22%	0.215	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	149.7	179.6	-62.1	176.1	0	0	0	110.3	E219 R391 K393 E401	E219-L221 HydrophobicContact CG-CD2 4.21Å; L221-R391 HydrophobicContact CB-CG 4.23Å; L221-R391 PolarHBondContact N-O 3.1Å; L221-R391 VanDerWaalsContact O-O 3.13Å; L221-K393 HydrophobicContact CD1-CB 4.31Å; L221-E401 HydrophobicContact CD1-CG 4.15Å
222	P	95	Very high	94.4	Very high	108 Å²	108	47.2 Å²	47.2	70%	0.701	25%	0.248	S	C	*	.			trans	-65.4	139.2	169.9	28.4	-33.4	0	0	0	110.4	N224	P222-N224 PolarHBondContact O-N 3.37Å
223	A	93.7	Very high	94.6	Very high	17 Å²	17	44.4 Å²	44.4	14%	0.14	24%	0.238	C	C	.	.			trans	-83.3	113.4	177.4	0	0	0	0	0	110.4	V241 Q242	A223-V241 HydrophobicContact CB-CB 3.97Å; A223-V241 HydrophobicContact CB-CG2 3.52Å; A223-Q242 WeakPolarHBondContact CB-O 3.34Å
224	N	93.9	Very high	94.7	Very high	72 Å²	72	40.7 Å²	40.7	39%	0.385	22%	0.22	S	C	.	.			trans	-116	-0.6	-178.2	64.9	6.4	0	0	0	114.1	P222 R391	P222-N224 PolarHBondContact O-N 3.37Å; N224-R391 PolarHBondContact OD1-NH1 2.62Å
225	H	94.8	Very high	94.7	Very high	59 Å²	59	36 Å²	36	27%	0.273	20%	0.196	S	C	.	.	S	Bend	trans	-109.1	130.2	178.5	-164.4	75.2	0	0	0	110.4	V241 Q242 N268 Y464	H225-V241 CarbonylContact O-C 3.6Å; H225-V241 WeakPolarHBondContact O-CA 3.45Å; H225-V241 WeakPolarHBondContact O-CB 3.42Å; H225-Q242 VanDerWaalsContact CD2-CD 3.48Å; H225-Q242 PolarHBondContact CD2-OE1 3.34Å; H225-Q242 VanDerWaalsContact CD2-OE1 3.31Å; H225-Q242 PolarHBondContact O-N 3.02Å; H225-N268 PolarHBondContact NE2-ND2 3.4Å; H225-Y464 AromaticContact CE1-CE2 3.78Å; H225-Y464 AromaticContact ND1-CE2 3.56Å
226	P	96.3	Very high	94.6	Very high	4 Å²	4	35.7 Å²	35.7	3%	0.026	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	143.9	-179.9	28.6	-33.5	0	0	0	111.9	L228 C240 N268 L461 Y464	P226-L228 PolarHBondContact O-N 3.09Å; P226-C240 WeakPolarHBondContact CA-O 3.33Å; P226-N268 PolarHBondContact O-ND2 2.81Å; P226-L461 HydrophobicContact CB-CD1 4.35Å; P226-L461 HydrophobicContact CB-CD2 3.93Å; P226-L461 HydrophobicContact CG-CD2 4.33Å; P226-Y464 HydrophobicContact CG-CD1 3.82Å; P226-Y464 HydrophobicContact CG-CE1 3.46Å; P226-Y464 VanDerWaalsContact CG-CE1 3.46Å; P226-Y464 HydrophobicContact CG-CE2 4.41Å; P226-Y464 HydrophobicContact CG-CG 4.44Å
227	L	95.9	Very high	94.6	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	104.9	166.4	177.6	69.5	0	0	0	107.2	T229 C240 Q242 L263 S269	L227-T229 PolarHBondContact O-N 2.82Å; L227-C240 HydrophobicContact CB-CB 4.3Å; L227-C240 HydrophobicContact CD2-CB 4.42Å; L227-C240 PolarHBondContact N-O 2.68Å; L227-Q242 HydrophobicContact CB-CG 4.3Å; L227-Q242 HydrophobicContact CD1-CG 4.31Å; L227-L263 HydrophobicContact CD2-CD1 4.43Å; L227-S269 WeakPolarHBondContact CD1-OG 3.34Å
228	L	94.7	Very high	94.6	Very high	39 Å²	39	31.5 Å²	31.5	20%	0.204	17%	0.169	C	C	.	.			trans	-76.2	121.8	178.3	-62.8	177.5	0	0	0	108.6	P226 S267 N268 F534	P226-L228 PolarHBondContact O-N 3.09Å; L228-S267 VanDerWaalsContact O-CA 3.24Å; L228-S267 WeakPolarHBondContact O-CA 3.42Å; L228-N268 PolarHBondContact N-OD1 3.3Å; L228-N268 VanDerWaalsContact N-OD1 3.09Å; L228-F534 HydrophobicContact CD2-CB 4.39Å; L228-F534 HydrophobicContact CD2-CD2 4.13Å; L228-F534 HydrophobicContact CD2-CG 4.48Å
229	T	91.1	Very high	94.6	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.012	15%	0.145	C	C	.	.			trans	-93.9	-20.7	180	67.9	0	0	0	0	112	L227 Q231 L234 D235 L263 W433	L227-T229 PolarHBondContact O-N 2.82Å; T229-Q231 VanDerWaalsContact C-N 3.26Å; T229-Q231 PolarHBondContact OG1-N 3.2Å; T229-L234 HydrophobicContact CG2-CB 4.32Å; T229-L234 HydrophobicContact CG2-CD1 4.44Å; T229-L234 WeakPolarHBondContact OG1-CB 3.42Å; T229-D235 WeakPolarHBondContact CB-OD1 3.43Å; T229-D235 WeakPolarHBondContact CG2-OD1 3.19Å; T229-D235 PolarHBondContact N-OD1 2.9Å; T229-D235 PolarHBondContact N-OD2 3.12Å; T229-D235 VanDerWaalsContact OG1-CG 3.3Å; T229-D235 PolarHBondContact OG1-OD1 3.08Å; T229-L263 HydrophobicContact CG2-CD1 3.56Å; T229-L263 HydrophobicContact CG2-CG 4.45Å; T229-W433 HydrophobicContact CG2-CH2 3.8Å; T229-W433 HydrophobicContact CG2-CZ2 4.36Å
230	G	89.6	Confident	94.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	84.6	-2.5	-173.6	0	0	0	0	0	114.1	D235 Q522 F531 C532	G230-D235 PolarHBondContact N-OD2 2.95Å; G230-Q522 PolarHBondContact O-NE2 2.93Å; G230-F531 VanDerWaalsContact CA-CD2 3.49Å; G230-C532 PolarHBondContact O-N 2.98Å
231	Q	93.4	Very high	94.7	Very high	8 Å²	8	17.4 Å²	17.4	4%	0.037	10%	0.099	C	C	.	.			trans	-99.7	127.2	176.2	-57.1	-57	-54	0	0	109.6	T229 V233 L234 D235	T229-Q231 VanDerWaalsContact C-N 3.26Å; T229-Q231 PolarHBondContact OG1-N 3.2Å; Q231-V233 PolarHBondContact O-N 3.37Å; Q231-L234 HydrophobicContact CB-CB 4.1Å; Q231-L234 HydrophobicContact CB-CD1 3.91Å; Q231-L234 HydrophobicContact CB-CG 3.87Å; Q231-L234 HydrophobicContact CG-CD1 4.02Å; Q231-L234 PolarHBondContact O-N 2.85Å; Q231-D235 WeakPolarHBondContact O-CB 3.49Å; Q231-D235 PolarHBondContact O-N 3.46Å
232	R	95.2	Very high	94.7	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-57.4	-47.6	-176.5	-72.2	173.5	-78.4	-170.3	-6	112.7	L234 A236 D518 F519 Q521 D529 C532 T537	R232-L234 PolarHBondContact O-N 2.9Å; R232-A236 WeakPolarHBondContact O-CB 3.29Å; R232-A236 PolarHBondContact O-N 2.86Å; R232-D518 PolarHBondContact NH1-O 2.9Å; R232-F519 HydrophobicContact CB-CE2 4.41Å; R232-F519 HydrophobicContact CB-CZ 4.38Å; R232-F519 WeakPolarHBondContact CD-O 3.46Å; R232-F519 PolarHBondContact NE-O 2.87Å; R232-Q521 PolarHBondContact NH2-O 3.45Å; R232-D529 IonicContact CZ-OD1 3.5Å; R232-D529 IonicContact NH2-OD1 2.6Å; R232-D529 IonicContact NH2-OD2 2.66Å; R232-D529 PolarHBondContact NH2-OD2 3.29Å; R232-C532 HydrophobicContact CG-CB 3.8Å; R232-C532 VanDerWaalsContact CG-SG 3.56Å; R232-T537 HydrophobicContact CB-CG2 4.23Å; R232-T537 HydrophobicContact CG-CG2 4.11Å
233	V	95.3	Very high	94.7	Very high	3 Å²	3	11.4 Å²	11.4	2%	0.018	6%	0.062	C	C	.	.	H	α-helix	trans	-64.6	-38.7	-178.7	63.2	0	0	0	0	112.6	Q231 L237 F238 P446 V448 L520	Q231-V233 PolarHBondContact O-N 3.37Å; V233-L237 HydrophobicContact CG2-CD1 4.22Å; V233-L237 WeakPolarHBondContact O-CB 3.31Å; V233-L237 PolarHBondContact O-N 3.41Å; V233-L237 VanDerWaalsContact O-N 3.08Å; V233-F238 HydrophobicContact CG2-CD2 4.5Å; V233-F238 HydrophobicContact CG2-CE2 4.39Å; V233-P446 HydrophobicContact CG1-CG 3.52Å; V233-V448 HydrophobicContact CG1-CB 4.35Å; V233-V448 HydrophobicContact CG1-CG2 4.09Å; V233-V448 HydrophobicContact CG2-CB 4.23Å; V233-V448 HydrophobicContact CG2-CG1 4.26Å; V233-L520 HydrophobicContact CB-CD2 3.99Å; V233-L520 HydrophobicContact CG2-CD2 3.85Å
234	L	94.9	Very high	94.8	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-75	-44.9	-177.9	-57.8	-176	0	0	0	110.5	T229 Q231 R232 F238 P239 I259 W433 V448	T229-L234 HydrophobicContact CG2-CB 4.32Å; T229-L234 HydrophobicContact CG2-CD1 4.44Å; T229-L234 WeakPolarHBondContact OG1-CB 3.42Å; Q231-L234 HydrophobicContact CB-CB 4.1Å; Q231-L234 HydrophobicContact CB-CD1 3.91Å; Q231-L234 HydrophobicContact CB-CG 3.87Å; Q231-L234 HydrophobicContact CG-CD1 4.02Å; Q231-L234 PolarHBondContact O-N 2.85Å; R232-L234 PolarHBondContact O-N 2.9Å; L234-F238 CarbonylContact O-C 3.57Å; L234-P239 VanDerWaalsContact O-CA 3.31Å; L234-P239 WeakPolarHBondContact O-CA 3.35Å; L234-I259 HydrophobicContact CD1-CG2 3.86Å; L234-W433 HydrophobicContact CB-CZ2 4.15Å; L234-W433 HydrophobicContact CD1-CD2 4.4Å; L234-W433 HydrophobicContact CD1-CE3 4Å; L234-W433 HydrophobicContact CD1-CH2 4.13Å; L234-W433 HydrophobicContact CD1-CZ2 4.44Å; L234-W433 HydrophobicContact CD1-CZ3 3.88Å; L234-W433 HydrophobicContact CD2-CB 4.43Å; L234-W433 HydrophobicContact CD2-CD2 3.6Å; L234-W433 HydrophobicContact CD2-CE3 3.98Å; L234-W433 HydrophobicContact CD2-CG 3.78Å; L234-W433 HydrophobicContact CD2-CZ2 4.36Å; L234-W433 HydrophobicContact CG-CD2 4.49Å; L234-V448 HydrophobicContact CD2-CG2 3.8Å
235	D	95.4	Very high	94.9	Very high	4 Å²	4	7.7 Å²	7.7	2%	0.021	4%	0.041	C	C	.	.	H	α-helix	trans	-74.9	-29.6	-177.8	-67.4	-10.2	0	0	0	112.2	T229 G230 Q231 F534	T229-D235 WeakPolarHBondContact CB-OD1 3.43Å; T229-D235 WeakPolarHBondContact CG2-OD1 3.19Å; T229-D235 PolarHBondContact N-OD1 2.9Å; T229-D235 PolarHBondContact N-OD2 3.12Å; T229-D235 VanDerWaalsContact OG1-CG 3.3Å; T229-D235 PolarHBondContact OG1-OD1 3.08Å; G230-D235 PolarHBondContact N-OD2 2.95Å; Q231-D235 WeakPolarHBondContact O-CB 3.49Å; Q231-D235 PolarHBondContact O-N 3.46Å; D235-F534 HydrophobicContact CB-CD2 4.41Å
236	A	94.8	Very high	95	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-89.9	-58.2	-178.7	0	0	0	0	0	113.9	R232 F472 R476 F519 T537	R232-A236 WeakPolarHBondContact O-CB 3.29Å; R232-A236 PolarHBondContact O-N 2.86Å; A236-F472 HydrophobicContact CB-CE2 4.03Å; A236-F472 HydrophobicContact CB-CZ 3.99Å; A236-F472 WeakPolarHBondContact O-CZ 3.45Å; A236-R476 WeakPolarHBondContact O-CD 3.45Å; A236-F519 HydrophobicContact CB-CE1 4.15Å; A236-F519 HydrophobicContact CB-CZ 3.8Å; A236-T537 HydrophobicContact CB-CG2 4.01Å
237	L	95	Very high	95	Very high	2 Å²	2	4.8 Å²	4.8	1%	0.01	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-36.2	-170	-62.1	-173.1	0	0	0	112.9	V233 W450 R476 K480 L483 L520	V233-L237 HydrophobicContact CG2-CD1 4.22Å; V233-L237 WeakPolarHBondContact O-CB 3.31Å; V233-L237 PolarHBondContact O-N 3.41Å; V233-L237 VanDerWaalsContact O-N 3.08Å; L237-W450 HydrophobicContact CD1-CB 4.12Å; L237-R476 HydrophobicContact CD2-CG 4.41Å; L237-K480 HydrophobicContact CD2-CG 4.06Å; L237-K480 WeakPolarHBondContact O-CE 3.32Å; L237-K480 PolarHBondContact O-NZ 3.38Å; L237-L483 HydrophobicContact CD1-CD1 4.14Å; L237-L520 HydrophobicContact CD1-CD2 3.85Å
238	F	96.1	Very high	95	Very high	2 Å²	2	4.7 Å²	4.7	1%	0.009	3%	0.026	C	C	.	.	S	Bend	trans	-132.9	58.1	-172.2	-48.4	-63.2	0	0	0	112.2	V233 L234 W433 V448 W450 S453	V233-F238 HydrophobicContact CG2-CD2 4.5Å; V233-F238 HydrophobicContact CG2-CE2 4.39Å; L234-F238 CarbonylContact O-C 3.57Å; F238-W433 PolarHBondContact O-NE1 3.34Å; F238-V448 HydrophobicContact CD2-CG1 4.24Å; F238-V448 HydrophobicContact CE2-CG1 4.23Å; F238-W450 HydrophobicContact CE2-CB 4.24Å; F238-W450 HydrophobicContact CZ-CB 4.21Å; F238-W450 WeakPolarHBondContact CZ-O 3.48Å; F238-S453 WeakPolarHBondContact CE1-O 3.22Å
239	P	95.8	Very high	94.9	Very high	2 Å²	2	2.9 Å²	2.9	1%	0.013	2%	0.017	C	C	.	.			trans	-62.6	143.3	-172	26.9	-35.8	0	0	0	111.8	L234 S455 L461	L234-P239 VanDerWaalsContact O-CA 3.31Å; L234-P239 WeakPolarHBondContact O-CA 3.35Å; P239-S455 PolarHBondContact O-OG 3.02Å; P239-L461 HydrophobicContact CB-CD1 3.67Å; P239-L461 HydrophobicContact CG-CD1 3.81Å
240	C	95.8	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	-102.2	162.6	167.6	-170.1	0	0	0	0	109.8	P226 L227 T246 W433	P226-C240 WeakPolarHBondContact CA-O 3.33Å; L227-C240 HydrophobicContact CB-CB 4.3Å; L227-C240 HydrophobicContact CD2-CB 4.42Å; L227-C240 PolarHBondContact N-O 2.68Å; C240-T246 PolarHBondContact SG-OG1 3.18Å; C240-W433 HydrophobicContact CB-CH2 4.32Å; C240-W433 HydrophobicContact CB-CZ2 3.94Å
241	V	96.7	Very high	94.7	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.02	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	154.4	179.6	-61	0	0	0	0	110.6	A223 H225 G243 G244 S405 Y457 L461	A223-V241 HydrophobicContact CB-CB 3.97Å; A223-V241 HydrophobicContact CB-CG2 3.52Å; H225-V241 CarbonylContact O-C 3.6Å; H225-V241 WeakPolarHBondContact O-CA 3.45Å; H225-V241 WeakPolarHBondContact O-CB 3.42Å; V241-G243 PolarHBondContact O-N 2.94Å; V241-G244 WeakPolarHBondContact O-CA 3.25Å; V241-G244 PolarHBondContact O-N 3.42Å; V241-S405 PolarHBondContact O-OG 3.48Å; V241-Y457 HydrophobicContact CG1-CD1 4.27Å; V241-Y457 HydrophobicContact CG1-CD2 4.31Å; V241-Y457 HydrophobicContact CG1-CG 3.89Å; V241-Y457 HydrophobicContact CG2-CD1 3.78Å; V241-Y457 HydrophobicContact CG2-CD2 3.83Å; V241-Y457 HydrophobicContact CG2-CE1 3.77Å; V241-Y457 HydrophobicContact CG2-CE2 3.81Å; V241-Y457 HydrophobicContact CG2-CG 3.83Å; V241-L461 HydrophobicContact CG1-CD1 3.74Å; V241-L461 HydrophobicContact CG1-CD2 3.76Å; V241-L461 HydrophobicContact CG1-CG 3.7Å
242	Q	95.5	Very high	94.3	Very high	16 Å²	16	7.9 Å²	7.9	8%	0.075	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	114.8	170.7	-71.5	-175	-18.2	0	0	109.7	A223 H225 L227 N268 S405	A223-Q242 WeakPolarHBondContact CB-O 3.34Å; H225-Q242 VanDerWaalsContact CD2-CD 3.48Å; H225-Q242 PolarHBondContact CD2-OE1 3.34Å; H225-Q242 VanDerWaalsContact CD2-OE1 3.31Å; H225-Q242 PolarHBondContact O-N 3.02Å; L227-Q242 HydrophobicContact CB-CG 4.3Å; L227-Q242 HydrophobicContact CD1-CG 4.31Å; Q242-N268 VanDerWaalsContact NE2-CG 3.32Å; Q242-N268 PolarHBondContact NE2-ND2 2.92Å; Q242-N268 PolarHBondContact NE2-O 3.21Å; Q242-N268 VanDerWaalsContact NE2-O 3.09Å; Q242-N268 PolarHBondContact NE2-OD1 3.42Å; Q242-S405 WeakPolarHBondContact CA-OG 3.41Å
243	G	94.4	Very high	93.7	Very high	6 Å²	6	11.4 Å²	11.4	6%	0.062	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.6	1.5	-167.3	0	0	0	0	0	114.2	V241 G390 V404 S405	V241-G243 PolarHBondContact O-N 2.94Å; G243-G390 WeakPolarHBondContact O-CA 3.41Å; G243-G390 PolarHBondContact O-N 3.4Å; G243-V404 CarbonylContact C-O 3.6Å; G243-V404 VanDerWaalsContact CA-O 3.29Å; G243-V404 WeakPolarHBondContact CA-O 2.96Å; G243-S405 PolarHBondContact N-OG 3.03Å
244	G	95.6	Very high	93.3	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	8%	0.076	C	C	.	.			trans	-81	166.2	-178	0	0	0	0	0	113.9	V241 S405 I406	V241-G244 WeakPolarHBondContact O-CA 3.25Å; V241-G244 PolarHBondContact O-N 3.42Å; G244-S405 WeakPolarHBondContact O-CA 3.17Å; G244-I406 PolarHBondContact O-N 3.27Å
245	T	97.1	Very high	92.8	Very high	12 Å²	12	12.2 Å²	12.2	7%	0.074	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	124.3	173.2	53.1	0	0	0	0	109.9	Y386 A389 Q430 V431 Y457	T245-Y386 HydrophobicContact CG2-CD1 4.19Å; T245-Y386 WeakPolarHBondContact CG2-O 3.36Å; T245-A389 HydrophobicContact CG2-CB 3.59Å; T245-Q430 PolarHBondContact O-N 2.76Å; T245-Q430 PolarHBondContact OG1-N 3.3Å; T245-V431 PolarHBondContact O-N 3.38Å; T245-V431 VanDerWaalsContact O-N 3.08Å; T245-Y457 PolarHBondContact N-OH 3.15Å
246	T	96.8	Very high	92.5	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	136.1	-178.8	-57.2	0	0	0	0	110.5	C240 I248 I406 V407 G408 V431 W433	C240-T246 PolarHBondContact SG-OG1 3.18Å; T246-I248 HydrophobicContact CG2-CG1 4.46Å; T246-I406 PolarHBondContact N-O 3.36Å; T246-V407 WeakPolarHBondContact O-CA 3.24Å; T246-G408 PolarHBondContact O-N 3.45Å; T246-V431 WeakPolarHBondContact CA-O 3.35Å; T246-V431 HydrophobicContact CG2-CB 4.08Å; T246-V431 HydrophobicContact CG2-CG1 3.98Å; T246-W433 HydrophobicContact CG2-CD2 3.55Å; T246-W433 HydrophobicContact CG2-CE3 3.57Å; T246-W433 HydrophobicContact CG2-CG 4.21Å; T246-W433 HydrophobicContact CG2-CH2 3.87Å; T246-W433 HydrophobicContact CG2-CZ2 3.91Å; T246-W433 HydrophobicContact CG2-CZ3 3.71Å
247	A	96.1	Very high	92.1	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.008	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	138.5	166.5	0	0	0	0	0	111.3	P249 G408 V410 T425 V429 V431 W433	A247-P249 VanDerWaalsContact C-CD 3.44Å; A247-P249 VanDerWaalsContact O-CD 3.32Å; A247-P249 WeakPolarHBondContact O-CD 3.18Å; A247-G408 CarbonylContact C-O 3.58Å; A247-G408 WeakPolarHBondContact CA-O 3.34Å; A247-V410 HydrophobicContact CB-CG2 4.46Å; A247-T425 HydrophobicContact CB-CG2 3.56Å; A247-V429 HydrophobicContact CB-CB 4.42Å; A247-V429 HydrophobicContact CB-CG1 4.1Å; A247-V429 HydrophobicContact CB-CG2 3.85Å; A247-V431 PolarHBondContact N-O 3.2Å; A247-W433 PolarHBondContact O-N 3.41Å
248	I	95.3	Very high	91.8	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	81.9	172.6	-45.5	-175.8	0	0	0	108.8	T246 K256 I259 V407 G408 V410 W433 L435	T246-I248 HydrophobicContact CG2-CG1 4.46Å; I248-K256 HydrophobicContact CG2-CG 4.25Å; I248-I259 HydrophobicContact CD1-CB 4.42Å; I248-I259 HydrophobicContact CD1-CG2 3.76Å; I248-V407 HydrophobicContact CD1-CG1 3.45Å; I248-V407 VanDerWaalsContact CD1-CG1 3.45Å; I248-V407 HydrophobicContact CG1-CG1 3.86Å; I248-G408 PolarHBondContact N-O 3.46Å; I248-V410 PolarHBondContact O-N 3.46Å; I248-W433 HydrophobicContact CD1-CE3 3.64Å; I248-W433 HydrophobicContact CD1-CZ3 3.92Å; I248-W433 HydrophobicContact CG1-CE3 3.68Å; I248-W433 HydrophobicContact CG1-CZ3 4.31Å; I248-L435 HydrophobicContact CG2-CD1 3.73Å; I248-L435 HydrophobicContact CG2-CD2 4.44Å; I248-L435 HydrophobicContact CG2-CG 3.87Å
249	P	93.7	Very high	91.5	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.006	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	143.4	171.5	23.8	-21.4	0	0	0	111.2	A247 V410 F417 T422 F432 W433 L435	A247-P249 VanDerWaalsContact C-CD 3.44Å; A247-P249 VanDerWaalsContact O-CD 3.32Å; A247-P249 WeakPolarHBondContact O-CD 3.18Å; P249-V410 VanDerWaalsContact CA-O 3.27Å; P249-V410 WeakPolarHBondContact CA-O 3.26Å; P249-V410 HydrophobicContact CB-CB 4.09Å; P249-F417 HydrophobicContact CB-CD1 4.26Å; P249-F417 HydrophobicContact CB-CE1 3.93Å; P249-F417 HydrophobicContact CG-CE1 4.24Å; P249-T422 HydrophobicContact CB-CG2 4.4Å; P249-F432 HydrophobicContact CB-CE2 4.29Å; P249-F432 HydrophobicContact CG-CD2 3.7Å; P249-F432 HydrophobicContact CG-CE1 4.48Å; P249-F432 HydrophobicContact CG-CE2 3.05Å; P249-F432 HydrophobicContact CG-CZ 3.49Å; P249-F432 VanDerWaalsContact CG-CZ 3.49Å; P249-W433 WeakPolarHBondContact CD-O 3.32Å; P249-L435 WeakPolarHBondContact O-CB 3.2Å; P249-L435 PolarHBondContact O-N 3Å
250	G	89.6	Confident	91.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	12%	0.118	C	C	.	.			trans	-179.9	159	172.5	0	0	0	0	0	112.2	K256 V410	G250-K256 PolarHBondContact O-NZ 3.3Å; G250-V410 PolarHBondContact N-O 3.34Å; G250-V410 VanDerWaalsContact N-O 3.12Å
251	A	86.7	Confident	90.6	Very high	9 Å²	9	19.2 Å²	19.2	7%	0.074	12%	0.124	C	C	.	.			trans	-63	165.8	172.5	0	0	0	0	0	111.2	G253 C254 K256 K437	A251-G253 PolarHBondContact O-N 2.97Å; A251-C254 PolarHBondContact O-N 2.89Å; A251-C254 PolarHBondContact O-SG 3.1Å; A251-C254 VanDerWaalsContact O-SG 3.38Å; A251-K256 PolarHBondContact O-NZ 3.13Å; A251-K437 HydrophobicContact CB-CD 4.23Å
252	F	84.5	Confident	90.1	Very high	107 Å²	107	19.6 Å²	19.6	47%	0.469	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	138.9	171.7	-63.8	-76.4	0	0	0	110.7	C254	F252-C254 VanDerWaalsContact C-N 3.32Å; F252-C254 PolarHBondContact O-N 3.16Å
253	G	82.4	Confident	89.8	Confident	73 Å²	73	18.9 Å²	18.9	75%	0.753	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.4	6.5	179.1	0	0	0	0	0	116	A251 G255	A251-G253 PolarHBondContact O-N 2.97Å; G253-G255 PolarHBondContact O-N 3.28Å
254	C	86.4	Confident	89.5	Confident	3 Å²	3	18.6 Å²	18.6	2%	0.02	12%	0.121	C	C	.	.	S	Bend	trans	-77.8	-5.5	175.7	-60.6	0	0	0	0	113.6	A251 F252 L435 A440 S447	A251-C254 PolarHBondContact O-N 2.89Å; A251-C254 PolarHBondContact O-SG 3.1Å; A251-C254 VanDerWaalsContact O-SG 3.38Å; F252-C254 VanDerWaalsContact C-N 3.32Å; F252-C254 PolarHBondContact O-N 3.16Å; C254-L435 HydrophobicContact CB-CB 3.99Å; C254-L435 HydrophobicContact CB-CD1 4.14Å; C254-A440 HydrophobicContact CB-CB 4.45Å; C254-S447 PolarHBondContact O-OG 2.93Å
255	G	85.9	Confident	88.9	Confident	17 Å²	17	20.2 Å²	20.2	18%	0.175	13%	0.128	C	C	.	.	S	Bend	trans	98.3	23.1	178.7	0	0	0	0	0	115.4	G253 V258 I259	G253-G255 PolarHBondContact O-N 3.28Å; G255-V258 PolarHBondContact O-N 3.49Å; G255-I259 PolarHBondContact O-N 3.36Å
256	K	88.8	Confident	88.4	Confident	14 Å²	14	22 Å²	22	6%	0.061	13%	0.133	C	C	.	.	H	α-helix	trans	-53.8	-54.9	175.2	-66.2	-169.4	-62.6	-88.9	0	112.2	I248 G250 A251 V258 I259 S260 A409 S411 L435	I248-K256 HydrophobicContact CG2-CG 4.25Å; G250-K256 PolarHBondContact O-NZ 3.3Å; A251-K256 PolarHBondContact O-NZ 3.13Å; K256-V258 VanDerWaalsContact C-N 3.27Å; K256-V258 PolarHBondContact O-N 3.4Å; K256-I259 PolarHBondContact O-N 2.93Å; K256-I259 VanDerWaalsContact O-N 3.11Å; K256-S260 PolarHBondContact O-N 3.38Å; K256-S260 PolarHBondContact O-OG 3.3Å; K256-A409 HydrophobicContact CD-CB 4.29Å; K256-S411 WeakPolarHBondContact CE-OG 3.03Å; K256-S411 PolarHBondContact NZ-OG 2.95Å; K256-S411 VanDerWaalsContact NZ-OG 3.1Å; K256-L435 HydrophobicContact CB-CD1 4.43Å; K256-L435 HydrophobicContact CG-CD1 3.56Å
257	T	85.8	Confident	88.1	Confident	44 Å²	44	22.3 Å²	22.3	27%	0.27	14%	0.136	S	C	.	.	H	α-helix	trans	-63	-33.2	179.8	-44.5	0	0	0	0	112	S260 Q261 D349	T257-S260 PolarHBondContact O-N 3.45Å; T257-Q261 VanDerWaalsContact O-CB 3.26Å; T257-Q261 WeakPolarHBondContact O-CB 3.19Å; T257-Q261 PolarHBondContact O-N 2.78Å; T257-D349 PolarHBondContact OG1-OD2 3.41Å
258	V	88	Confident	87.9	Confident	57 Å²	57	24.4 Å²	24.4	35%	0.345	15%	0.147	S	C	.	.	H	α-helix	trans	-65	-40.3	175.2	-179.8	0	0	0	0	111.2	G255 K256 S262	G255-V258 PolarHBondContact O-N 3.49Å; K256-V258 VanDerWaalsContact C-N 3.27Å; K256-V258 PolarHBondContact O-N 3.4Å; V258-S262 WeakPolarHBondContact O-CB 3.49Å; V258-S262 PolarHBondContact O-N 2.91Å; V258-S262 PolarHBondContact O-OG 2.87Å
259	I	90.6	Very high	87.8	Confident	10 Å²	10	24.5 Å²	24.5	5%	0.051	15%	0.148	C	C	.	.	H	α-helix	trans	-66.1	-46.6	174.3	-65.6	172.5	0	0	0	110.1	L234 I248 G255 K256 Q261 S262 L263 W433 L435 P446	L234-I259 HydrophobicContact CD1-CG2 3.86Å; I248-I259 HydrophobicContact CD1-CB 4.42Å; I248-I259 HydrophobicContact CD1-CG2 3.76Å; G255-I259 PolarHBondContact O-N 3.36Å; K256-I259 PolarHBondContact O-N 2.93Å; K256-I259 VanDerWaalsContact O-N 3.11Å; I259-Q261 VanDerWaalsContact C-N 3.33Å; I259-Q261 PolarHBondContact O-N 2.95Å; I259-S262 PolarHBondContact O-N 3Å; I259-L263 WeakPolarHBondContact O-CB 3.25Å; I259-L263 PolarHBondContact O-N 3.02Å; I259-W433 HydrophobicContact CG2-CZ3 4.39Å; I259-L435 HydrophobicContact CD1-CD1 4.21Å; I259-L435 HydrophobicContact CD1-CD2 3.74Å; I259-P446 HydrophobicContact CD1-CB 4.37Å
260	S	87.8	Confident	87.8	Confident	3 Å²	3	27.4 Å²	27.4	2%	0.021	16%	0.163	C	C	.	.	H	α-helix	trans	-57.8	-45	176.4	-58.5	0	0	0	0	111.9	K256 T257 S262 L263 S264 M347	K256-S260 PolarHBondContact O-N 3.38Å; K256-S260 PolarHBondContact O-OG 3.3Å; T257-S260 PolarHBondContact O-N 3.45Å; S260-S262 PolarHBondContact O-N 3.13Å; S260-L263 PolarHBondContact O-N 2.97Å; S260-S264 PolarHBondContact O-N 2.95Å; S260-M347 WeakPolarHBondContact O-CE 3.42Å; S260-M347 VanDerWaalsContact O-SD 3.36Å
261	Q	85.1	Confident	88.1	Confident	30 Å²	30	27.4 Å²	27.4	14%	0.14	16%	0.163	C	C	.	.	H	α-helix	trans	-66.1	-36.3	177.5	-157.8	-157.5	8.3	0	0	112.1	T257 I259 S264 K265 F291	T257-Q261 VanDerWaalsContact O-CB 3.26Å; T257-Q261 WeakPolarHBondContact O-CB 3.19Å; T257-Q261 PolarHBondContact O-N 2.78Å; I259-Q261 VanDerWaalsContact C-N 3.33Å; I259-Q261 PolarHBondContact O-N 2.95Å; Q261-S264 PolarHBondContact O-N 3Å; Q261-S264 PolarHBondContact O-OG 2.81Å; Q261-K265 VanDerWaalsContact CD-CE 3.42Å; Q261-K265 VanDerWaalsContact CD-NZ 3.29Å; Q261-K265 WeakPolarHBondContact O-CD 3.25Å; Q261-K265 VanDerWaalsContact O-CE 3.31Å; Q261-K265 WeakPolarHBondContact O-CE 3.29Å; Q261-K265 WeakPolarHBondContact O-CG 3.07Å; Q261-K265 PolarHBondContact O-N 3.27Å; Q261-F291 HydrophobicContact CG-CE1 3.91Å
262	S	86.8	Confident	88.5	Confident	8 Å²	8	27 Å²	27	6%	0.056	16%	0.159	C	C	.	.	H	α-helix	trans	-69.3	-41.3	176.4	-59.9	0	0	0	0	110.8	V258 I259 S260 S264 K265 Y266	V258-S262 WeakPolarHBondContact O-CB 3.49Å; V258-S262 PolarHBondContact O-N 2.91Å; V258-S262 PolarHBondContact O-OG 2.87Å; I259-S262 PolarHBondContact O-N 3Å; S260-S262 PolarHBondContact O-N 3.13Å; S262-S264 VanDerWaalsContact C-N 3.3Å; S262-S264 PolarHBondContact O-N 2.76Å; S262-K265 PolarHBondContact O-N 3.29Å; S262-Y266 WeakPolarHBondContact O-CD2 3.41Å; S262-Y266 PolarHBondContact O-N 2.97Å
263	L	89.3	Confident	89.1	Confident	2 Å²	2	21.9 Å²	21.9	1%	0.01	14%	0.137	C	C	.	.	H	α-helix	trans	-67.2	-30.5	177.4	-164.7	141.3	0	0	0	111.6	L227 T229 I259 S260 S267 S345 M347 V407 W433	L227-L263 HydrophobicContact CD2-CD1 4.43Å; T229-L263 HydrophobicContact CG2-CD1 3.56Å; T229-L263 HydrophobicContact CG2-CG 4.45Å; I259-L263 WeakPolarHBondContact O-CB 3.25Å; I259-L263 PolarHBondContact O-N 3.02Å; S260-L263 PolarHBondContact O-N 2.97Å; L263-S267 WeakPolarHBondContact O-CB 3.37Å; L263-S267 PolarHBondContact O-N 2.89Å; L263-S267 PolarHBondContact O-OG 3.24Å; L263-S345 WeakPolarHBondContact CD2-OG 3.34Å; L263-M347 HydrophobicContact CB-CE 3.75Å; L263-M347 HydrophobicContact CD2-CE 3.18Å; L263-M347 HydrophobicContact CG-CE 4.04Å; L263-V407 HydrophobicContact CD1-CG2 4.3Å; L263-V407 HydrophobicContact CD2-CG2 4.26Å; L263-W433 HydrophobicContact CD1-CH2 4.18Å; L263-W433 HydrophobicContact CD1-CZ3 4.28Å
264	S	86.6	Confident	89.7	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-74.7	-32	177.6	63.4	0	0	0	0	111.9	S260 Q261 S262 R308 M347	S260-S264 PolarHBondContact O-N 2.95Å; Q261-S264 PolarHBondContact O-N 3Å; Q261-S264 PolarHBondContact O-OG 2.81Å; S262-S264 VanDerWaalsContact C-N 3.3Å; S262-S264 PolarHBondContact O-N 2.76Å; S264-R308 PolarHBondContact O-NH2 2.85Å; S264-M347 VanDerWaalsContact N-CE 3.34Å
265	K	83.9	Confident	90.1	Very high	34 Å²	34	18.5 Å²	18.5	15%	0.148	10%	0.101	C	C	.	.	H	α-helix	trans	-74.6	-54	177.6	-69.5	172.8	-147.8	-152.8	0	112	Q261 S262 L294 I305 R308	Q261-K265 VanDerWaalsContact CD-CE 3.42Å; Q261-K265 VanDerWaalsContact CD-NZ 3.29Å; Q261-K265 WeakPolarHBondContact O-CD 3.25Å; Q261-K265 VanDerWaalsContact O-CE 3.31Å; Q261-K265 WeakPolarHBondContact O-CE 3.29Å; Q261-K265 WeakPolarHBondContact O-CG 3.07Å; Q261-K265 PolarHBondContact O-N 3.27Å; S262-K265 PolarHBondContact O-N 3.29Å; K265-L294 HydrophobicContact CD-CD1 3.81Å; K265-L294 HydrophobicContact CD-CD2 3.94Å; K265-L294 HydrophobicContact CD-CG 4.41Å; K265-L294 HydrophobicContact CG-CD1 3.97Å; K265-L294 VanDerWaalsContact NZ-CD1 3.32Å; K265-I305 HydrophobicContact CG-CD1 4.22Å; K265-R308 PolarHBondContact O-NH2 3.45Å
266	Y	86.8	Confident	90.5	Very high	48 Å²	48	17.7 Å²	17.7	19%	0.188	9%	0.093	C	C	.	.	H	α-helix	trans	-107.6	-1.5	-161	-52.2	-61	0	0	0	114.4	S262 R530 F531	S262-Y266 WeakPolarHBondContact O-CD2 3.41Å; S262-Y266 PolarHBondContact O-N 2.97Å; Y266-R530 WeakPolarHBondContact CD2-O 3.44Å; Y266-R530 HydrophobicContact CE1-CG 4.32Å; Y266-R530 HydrophobicContact CE2-CB 4.25Å; Y266-R530 WeakPolarHBondContact CE2-O 3.38Å; Y266-R530 WeakPolarHBondContact OH-CB 3.46Å; Y266-R530 WeakPolarHBondContact OH-CD 3.43Å; Y266-R530 WeakPolarHBondContact OH-CG 3.32Å; Y266-F531 VanDerWaalsContact CB-CD2 3.47Å; Y266-F531 HydrophobicContact CD1-CB 3.74Å; Y266-F531 HydrophobicContact CD1-CD2 4.24Å; Y266-F531 HydrophobicContact CD1-CG 4.13Å; Y266-F531 HydrophobicContact CD2-CB 4.33Å; Y266-F531 HydrophobicContact CE1-CB 4.06Å; Y266-F531 HydrophobicContact CG-CB 3.9Å; Y266-F531 AromaticContact CG-CD2 3.91Å; Y266-F531 HydrophobicContact CG-CD2 3.91Å; Y266-F531 HydrophobicContact CG-CG 4.21Å
267	S	89.9	Confident	90.7	Very high	7 Å²	7	17 Å²	17	5%	0.049	9%	0.09	C	C	.	.			trans	-67.1	148.9	177.6	62.1	0	0	0	0	112.5	L228 L263 S269	L228-S267 VanDerWaalsContact O-CA 3.24Å; L228-S267 WeakPolarHBondContact O-CA 3.42Å; L263-S267 WeakPolarHBondContact O-CB 3.37Å; L263-S267 PolarHBondContact O-N 2.89Å; L263-S267 PolarHBondContact O-OG 3.24Å; S267-S269 PolarHBondContact O-N 3.04Å
268	N	92.1	Very high	90.9	Very high	46 Å²	46	15.3 Å²	15.3	25%	0.246	8%	0.081	C	C	.	.	S	Bend	trans	-74.3	27.9	169.2	62.1	-19.8	0	0	0	112.5	H225 P226 L228 Q242	H225-N268 PolarHBondContact NE2-ND2 3.4Å; P226-N268 PolarHBondContact O-ND2 2.81Å; L228-N268 PolarHBondContact N-OD1 3.3Å; L228-N268 VanDerWaalsContact N-OD1 3.09Å; Q242-N268 VanDerWaalsContact NE2-CG 3.32Å; Q242-N268 PolarHBondContact NE2-ND2 2.92Å; Q242-N268 PolarHBondContact NE2-O 3.21Å; Q242-N268 VanDerWaalsContact NE2-O 3.09Å; Q242-N268 PolarHBondContact NE2-OD1 3.42Å
269	S	93.1	Very high	90.8	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.014	7%	0.068	C	C	.	.			trans	-93.4	142.8	175.5	-58	0	0	0	0	110.4	L227 S267 R308 N343 S345	L227-S269 WeakPolarHBondContact CD1-OG 3.34Å; S267-S269 PolarHBondContact O-N 3.04Å; S269-R308 PolarHBondContact O-NH1 3.43Å; S269-N343 CarbonylContact C-O 3.53Å; S269-S345 WeakPolarHBondContact OG-CB 3.2Å
270	D	93.9	Very high	90.6	Very high	62 Å²	62	19.6 Å²	19.6	33%	0.332	9%	0.091	S	C	.	.	S	Bend	trans	-76.2	-38.3	-179.2	-57.1	-45.1	0	0	0	111.1	R308 Y342 N343	D270-R308 WeakPolarHBondContact O-CD 3.44Å; D270-Y342 HydrophobicContact CB-CD1 3.75Å; D270-Y342 HydrophobicContact CB-CG 4.24Å; D270-N343 PolarHBondContact N-O 3.34Å; D270-N343 PolarHBondContact OD2-N 2.83Å
271	V	95.3	Very high	90.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	139	-176.1	177.6	0	0	0	0	110	M95 I162 V273 R308 F337 Y342 N343 V344 S345	M95-V271 HydrophobicContact CE-CB 4.1Å; M95-V271 HydrophobicContact CE-CG1 3.42Å; M95-V271 VanDerWaalsContact CE-CG1 3.42Å; 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 3.93Å; V271-V273 HydrophobicContact CG1-CG2 4.47Å; V271-R308 WeakPolarHBondContact CA-O 3.41Å; V271-F337 HydrophobicContact CG1-CB 4.3Å; V271-F337 HydrophobicContact CG1-CD2 3.95Å; V271-F337 HydrophobicContact CG1-CE2 4.47Å; V271-F337 HydrophobicContact CG1-CG 4.05Å; V271-F337 HydrophobicContact CG2-CB 4.47Å; V271-F337 HydrophobicContact CG2-CG 4.48Å; V271-Y342 HydrophobicContact CG2-CD2 4.46Å; V271-Y342 HydrophobicContact CG2-CG 4.34Å; V271-N343 PolarHBondContact N-O 3.28Å; V271-V344 HydrophobicContact CB-CG1 4.31Å; V271-V344 HydrophobicContact CB-CG2 4.27Å; V271-V344 HydrophobicContact CG1-CG1 4.25Å; V271-V344 WeakPolarHBondContact O-CA 3.5Å; V271-S345 PolarHBondContact O-N 3.48Å
272	I	95.4	Very high	90.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	133.6	174	-54.1	-61.4	0	0	0	109.8	R308 T309 A310 S345 M347	I272-R308 PolarHBondContact N-O 3.41Å; I272-T309 HydrophobicContact CB-CG2 4.11Å; I272-T309 HydrophobicContact CG2-CG2 4.18Å; I272-T309 CarbonylContact O-C 3.55Å; I272-T309 VanDerWaalsContact O-CA 3.27Å; I272-T309 WeakPolarHBondContact O-CA 3.39Å; I272-A310 PolarHBondContact O-N 3.2Å; I272-S345 WeakPolarHBondContact CA-O 3.34Å; I272-M347 HydrophobicContact CG2-CE 4.28Å; I272-M347 HydrophobicContact CG2-SD 4.16Å
273	V	96.4	Very high	90.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	114.8	169.4	-177.9	0	0	0	0	108.1	V271 V275 A310 S334 V344 S345 M346 M347	V271-V273 HydrophobicContact CG1-CG2 4.47Å; V273-V275 HydrophobicContact CG1-CG2 4.32Å; V273-A310 WeakPolarHBondContact CA-O 3.17Å; V273-S334 WeakPolarHBondContact CB-OG 3.29Å; V273-V344 HydrophobicContact CG2-CG1 4.07Å; V273-S345 PolarHBondContact N-O 3.47Å; V273-M346 CarbonylContact O-C 3.47Å; V273-M346 VanDerWaalsContact O-CA 3.3Å; V273-M346 WeakPolarHBondContact O-CA 3.45Å; V273-M347 PolarHBondContact O-N 3.19Å
274	Y	95.1	Very high	90	Very high	5 Å²	5	28.5 Å²	28.5	2%	0.02	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	123.3	179	-177.2	-86.9	0	0	0	109.9	M284 V287 A310 L311 V312 M347 D349	Y274-M284 HydrophobicContact CE1-CE 4.25Å; Y274-M284 HydrophobicContact CE1-SD 4.02Å; Y274-V287 HydrophobicContact CE1-CG1 4.41Å; Y274-A310 PolarHBondContact N-O 3.16Å; Y274-L311 HydrophobicContact CD1-CD2 4.19Å; Y274-L311 HydrophobicContact CG-CD2 4.17Å; Y274-L311 WeakPolarHBondContact O-CA 3.32Å; Y274-V312 PolarHBondContact O-N 3.22Å; Y274-M347 HydrophobicContact CD2-CB 3.74Å; Y274-M347 HydrophobicContact CD2-CG 4.44Å; Y274-M347 HydrophobicContact CD2-SD 3.82Å; Y274-M347 HydrophobicContact CE2-CB 4.3Å; Y274-D349 HydrophobicContact CE2-CB 4.47Å
275	V	95.7	Very high	90	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	109	178.6	-173.8	0	0	0	0	109.2	V273 V312 I327 M346 M347 D349	V273-V275 HydrophobicContact CG1-CG2 4.32Å; V275-V312 CarbonylContact C-O 3.6Å; V275-V312 WeakPolarHBondContact CA-O 3.25Å; V275-V312 HydrophobicContact CB-CB 4.46Å; V275-V312 HydrophobicContact CG1-CB 4.2Å; V275-V312 HydrophobicContact CG1-CG1 4.31Å; V275-V312 HydrophobicContact CG2-CB 4.19Å; V275-V312 HydrophobicContact CG2-CG2 4.38Å; V275-I327 HydrophobicContact CG1-CD1 4.01Å; V275-M346 HydrophobicContact CB-CE 4.29Å; V275-M346 HydrophobicContact CG2-CE 3.57Å; V275-M347 PolarHBondContact N-O 3.28Å; V275-D349 PolarHBondContact O-N 2.8Å
276	G	93.8	Very high	90	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	106.4	167.7	0	0	0	0	0	109.9	V312 N314 D349	G276-V312 PolarHBondContact N-O 3.14Å; G276-N314 CarbonylContact O-C 3.5Å; G276-N314 WeakPolarHBondContact O-CA 3.48Å; G276-N314 VanDerWaalsContact O-CB 3.3Å; G276-N314 WeakPolarHBondContact O-CB 3.36Å; G276-N314 PolarHBondContact O-N 2.64Å; G276-N314 VanDerWaalsContact O-O 3.08Å; G276-D349 CarbonylContact C-O 3.54Å; G276-D349 WeakPolarHBondContact CA-O 3.37Å
277	C	93.8	Very high	89.9	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	103	177.4	173.5	0	0	0	0	110.5	E279 I327 D349 S350 R353	C277-E279 VanDerWaalsContact C-N 3.27Å; C277-E279 PolarHBondContact O-N 3.09Å; C277-I327 HydrophobicContact CB-CD1 3.89Å; C277-I327 HydrophobicContact CB-CG1 4.29Å; C277-D349 PolarHBondContact N-O 3.09Å; C277-S350 PolarHBondContact O-N 3.46Å; C277-R353 VanDerWaalsContact O-CB 3.26Å; C277-R353 WeakPolarHBondContact O-CB 3.37Å
278	G	89.4	Confident	89.6	Confident	7 Å²	7	35 Å²	35	7%	0.072	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	72.3	20	175.2	0	0	0	0	0	114	N314	G278-N314 PolarHBondContact N-O 2.74Å
279	E	87.3	Confident	89.3	Confident	16 Å²	16	39.9 Å²	39.9	8%	0.075	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	161.8	178.6	-64.6	-54.3	126.9	0	0	112	C277 M284 T315 S316 D349 S350	C277-E279 VanDerWaalsContact C-N 3.27Å; C277-E279 PolarHBondContact O-N 3.09Å; E279-M284 HydrophobicContact CB-CG 4.15Å; E279-M284 HydrophobicContact CB-SD 4.34Å; E279-T315 CarbonylContact O-C 3.54Å; E279-T315 WeakPolarHBondContact O-CA 3.38Å; E279-S316 PolarHBondContact O-N 3.49Å; E279-D349 WeakPolarHBondContact CG-O 3.44Å; E279-D349 VanDerWaalsContact OE1-C 3.24Å; E279-S350 WeakPolarHBondContact OE1-CB 3.21Å; E279-S350 PolarHBondContact OE1-N 2.95Å; E279-S350 PolarHBondContact OE1-OG 3.08Å
280	R	86.4	Confident	88.9	Confident	142 Å²	142	41.1 Å²	41.1	54%	0.536	21%	0.209	S	C	.	.			trans	-69.6	144	177.6	-62.2	-180	178.6	142.9	-7.6	109.9	N282 E283 M284	R280-N282 PolarHBondContact O-N 3.17Å; R280-N282 VanDerWaalsContact O-N 3.13Å; R280-E283 HydrophobicContact CB-CG 4.23Å; R280-E283 WeakPolarHBondContact CB-OE2 3.1Å; R280-E283 PolarHBondContact N-OE2 2.93Å; R280-E283 IonicContact NH1-OE1 3.59Å; R280-E283 PolarHBondContact NH1-OE1 2.81Å; R280-E283 PolarHBondContact O-N 3.22Å; R280-M284 PolarHBondContact O-N 3.43Å; R280-M284 VanDerWaalsContact O-N 3.1Å
281	G	83.8	Confident	88.3	Confident	40 Å²	40	38.2 Å²	38.2	41%	0.412	19%	0.193	S	C	.	.	H	α-helix	trans	-55.8	-32.8	177.5	0	0	0	0	0	113.4	S285	G281-S285 WeakPolarHBondContact O-CB 3.4Å; G281-S285 PolarHBondContact O-N 2.85Å; G281-S285 PolarHBondContact O-OG 2.75Å
282	N	85.1	Confident	87.8	Confident	135 Å²	135	41.3 Å²	41.3	72%	0.722	21%	0.213	S	C	*	.	H	α-helix	trans	-71.1	-36.7	177.3	-66.8	-8.9	0	0	0	113.3	R280 S285 E286	R280-N282 PolarHBondContact O-N 3.17Å; R280-N282 VanDerWaalsContact O-N 3.13Å; N282-S285 WeakPolarHBondContact CA-OG 3.28Å; N282-S285 PolarHBondContact O-N 2.7Å; N282-S285 PolarHBondContact O-OG 3.19Å; N282-E286 WeakPolarHBondContact O-CB 3.11Å; N282-E286 PolarHBondContact O-N 3.06Å
283	E	81.8	Confident	87.3	Confident	49 Å²	49	48.1 Å²	48.1	23%	0.229	25%	0.245	C	C	.	.	H	α-helix	trans	-70.7	-39.6	178.5	-68.5	159	177.3	0	0	109.3	R280 E286 V287	R280-E283 HydrophobicContact CB-CG 4.23Å; R280-E283 WeakPolarHBondContact CB-OE2 3.1Å; R280-E283 PolarHBondContact N-OE2 2.93Å; R280-E283 IonicContact NH1-OE1 3.59Å; R280-E283 PolarHBondContact NH1-OE1 2.81Å; R280-E283 PolarHBondContact O-N 3.22Å; E283-E286 PolarHBondContact O-N 2.73Å; E283-V287 WeakPolarHBondContact O-CG2 3.31Å; E283-V287 PolarHBondContact O-N 3.05Å; E283-V287 VanDerWaalsContact O-N 3.07Å
284	M	84.4	Confident	86.6	Confident	5 Å²	5	49.9 Å²	49.9	3%	0.025	25%	0.254	C	S	.	.	H	α-helix	trans	-65.5	-40.1	172.1	-71.1	-55.6	-50.8	0	0	112.6	Y274 E279 R280 V287 L288 A313 T315	Y274-M284 HydrophobicContact CE1-CE 4.25Å; Y274-M284 HydrophobicContact CE1-SD 4.02Å; E279-M284 HydrophobicContact CB-CG 4.15Å; E279-M284 HydrophobicContact CB-SD 4.34Å; R280-M284 PolarHBondContact O-N 3.43Å; R280-M284 VanDerWaalsContact O-N 3.1Å; M284-V287 WeakPolarHBondContact O-CB 3.19Å; M284-V287 PolarHBondContact O-N 2.91Å; M284-L288 VanDerWaalsContact O-CG 3.23Å; M284-L288 WeakPolarHBondContact O-CG 3.4Å; M284-L288 PolarHBondContact O-N 3.08Å; M284-A313 HydrophobicContact CE-CB 3.66Å; M284-T315 HydrophobicContact CG-CG2 4.5Å
285	S	86.2	Confident	86	Confident	64 Å²	64	54.1 Å²	54.1	45%	0.448	28%	0.28	S	S	.	.	H	α-helix	trans	-69.1	-34.8	178.4	68.6	0	0	0	0	112.6	G281 N282 L288 R289	G281-S285 WeakPolarHBondContact O-CB 3.4Å; G281-S285 PolarHBondContact O-N 2.85Å; G281-S285 PolarHBondContact O-OG 2.75Å; N282-S285 WeakPolarHBondContact CA-OG 3.28Å; N282-S285 PolarHBondContact O-N 2.7Å; N282-S285 PolarHBondContact O-OG 3.19Å; S285-L288 PolarHBondContact O-N 2.92Å; S285-R289 WeakPolarHBondContact O-CB 3.4Å; S285-R289 PolarHBondContact O-N 3.48Å
286	E	85	Confident	85.4	Confident	98 Å²	98	55.5 Å²	55.5	46%	0.458	29%	0.287	S	S	.	.	H	α-helix	trans	-61.4	-47.5	171.6	-178	172	-153.1	0	0	111	N282 E283 L288 R289 D290	N282-E286 WeakPolarHBondContact O-CB 3.11Å; N282-E286 PolarHBondContact O-N 3.06Å; E283-E286 PolarHBondContact O-N 2.73Å; E286-L288 VanDerWaalsContact C-N 3.31Å; E286-L288 PolarHBondContact O-N 3.22Å; E286-R289 PolarHBondContact O-N 2.86Å; E286-D290 VanDerWaalsContact O-CB 3.31Å; E286-D290 WeakPolarHBondContact O-CB 3.42Å; E286-D290 VanDerWaalsContact O-CG 3.23Å; E286-D290 PolarHBondContact O-N 2.63Å
287	V	83.7	Confident	84.7	Confident	7 Å²	7	62.1 Å²	62.1	4%	0.042	32%	0.318	C	S	.	.	H	α-helix	trans	-55.7	-46.3	172.8	163.8	0	0	0	0	111.2	Y274 E283 M284 R289 F291 L311	Y274-V287 HydrophobicContact CE1-CG1 4.41Å; E283-V287 WeakPolarHBondContact O-CG2 3.31Å; E283-V287 PolarHBondContact O-N 3.05Å; E283-V287 VanDerWaalsContact O-N 3.07Å; M284-V287 WeakPolarHBondContact O-CB 3.19Å; M284-V287 PolarHBondContact O-N 2.91Å; V287-R289 VanDerWaalsContact C-N 3.35Å; V287-R289 PolarHBondContact O-N 2.87Å; V287-F291 HydrophobicContact CB-CD1 4.37Å; V287-F291 HydrophobicContact CB-CE1 4.18Å; V287-F291 HydrophobicContact CG1-CD1 3.8Å; V287-F291 HydrophobicContact CG1-CE1 3.58Å; V287-F291 HydrophobicContact CG1-CE2 4.42Å; V287-F291 HydrophobicContact CG1-CG 4.3Å; V287-F291 HydrophobicContact CG1-CZ 3.92Å; V287-F291 HydrophobicContact CG2-CE1 4.2Å; V287-F291 VanDerWaalsContact O-CB 3.26Å; V287-F291 WeakPolarHBondContact O-CB 3.48Å; V287-F291 WeakPolarHBondContact O-CD1 3.48Å; V287-F291 WeakPolarHBondContact O-CG 3.36Å; V287-F291 PolarHBondContact O-N 2.92Å; V287-L311 HydrophobicContact CG1-CD1 4.39Å
288	L	84.2	Confident	83.9	Confident	56 Å²	56	64.6 Å²	64.6	29%	0.293	33%	0.333	S	S	.	.	H	α-helix	trans	-68	-30.6	-178.9	-70.1	178.5	0	0	0	114.1	I98 M284 S285 E286 P292 L311	I98-L288 HydrophobicContact CD1-CD2 3.44Å; I98-L288 VanDerWaalsContact CD1-CD2 3.44Å; I98-L288 HydrophobicContact CG1-CD2 3.87Å; I98-L288 HydrophobicContact CG2-CD2 4.21Å; M284-L288 VanDerWaalsContact O-CG 3.23Å; M284-L288 WeakPolarHBondContact O-CG 3.4Å; M284-L288 PolarHBondContact O-N 3.08Å; S285-L288 PolarHBondContact O-N 2.92Å; E286-L288 VanDerWaalsContact C-N 3.31Å; E286-L288 PolarHBondContact O-N 3.22Å; L288-P292 WeakPolarHBondContact O-CD 3Å; L288-P292 WeakPolarHBondContact O-CG 3.38Å; L288-L311 HydrophobicContact CD2-CD1 3.44Å; L288-L311 VanDerWaalsContact CD2-CD1 3.44Å
289	R	86.8	Confident	83.2	Confident	149 Å²	149	72 Å²	72	56%	0.562	37%	0.371	S	S	*	.	H	α-helix	trans	-78.2	-45.1	176.3	-175.9	-169	64.5	-153.7	-7.3	111.3	S285 E286 V287 P292	S285-R289 WeakPolarHBondContact O-CB 3.4Å; S285-R289 PolarHBondContact O-N 3.48Å; E286-R289 PolarHBondContact O-N 2.86Å; V287-R289 VanDerWaalsContact C-N 3.35Å; V287-R289 PolarHBondContact O-N 2.87Å; R289-P292 WeakPolarHBondContact O-CD 3.38Å
290	D	83.7	Confident	82.5	Confident	29 Å²	29	74.1 Å²	74.1	16%	0.155	40%	0.397	C	S	.	.	H	α-helix	trans	-78.5	-34.3	-171.3	-65.7	6.9	0	0	0	111.6	E286 E293 L294	E286-D290 VanDerWaalsContact O-CB 3.31Å; E286-D290 WeakPolarHBondContact O-CB 3.42Å; E286-D290 VanDerWaalsContact O-CG 3.23Å; E286-D290 PolarHBondContact O-N 2.63Å; D290-E293 PolarHBondContact O-N 3.25Å; D290-L294 WeakPolarHBondContact O-CD1 3.4Å; D290-L294 WeakPolarHBondContact O-CG 3.35Å; D290-L294 PolarHBondContact O-N 2.85Å
291	F	81.9	Confident	82.3	Confident	1 Å²	1	74.3 Å²	74.3	0%	0.004	40%	0.402	C	S	.	.	H	α-helix	trans	-60.3	-43.3	-176.6	-85.8	48.7	0	0	0	114.1	Q261 V287 E293 L294 I305 M306 T309 L311	Q261-F291 HydrophobicContact CG-CE1 3.91Å; V287-F291 HydrophobicContact CB-CD1 4.37Å; V287-F291 HydrophobicContact CB-CE1 4.18Å; V287-F291 HydrophobicContact CG1-CD1 3.8Å; V287-F291 HydrophobicContact CG1-CE1 3.58Å; V287-F291 HydrophobicContact CG1-CE2 4.42Å; V287-F291 HydrophobicContact CG1-CG 4.3Å; V287-F291 HydrophobicContact CG1-CZ 3.92Å; V287-F291 HydrophobicContact CG2-CE1 4.2Å; V287-F291 VanDerWaalsContact O-CB 3.26Å; V287-F291 WeakPolarHBondContact O-CB 3.48Å; V287-F291 WeakPolarHBondContact O-CD1 3.48Å; V287-F291 WeakPolarHBondContact O-CG 3.36Å; V287-F291 PolarHBondContact O-N 2.92Å; F291-E293 VanDerWaalsContact C-N 3.34Å; F291-E293 PolarHBondContact O-N 3.37Å; F291-L294 PolarHBondContact O-N 3.06Å; F291-I305 HydrophobicContact CB-CD1 4.33Å; F291-I305 HydrophobicContact CD2-CD1 4Å; F291-I305 HydrophobicContact CG-CD1 4.07Å; F291-I305 WeakPolarHBondContact O-CG1 3.4Å; F291-M306 HydrophobicContact CB-SD 4.32Å; F291-T309 HydrophobicContact CD2-CG2 4.16Å; F291-T309 HydrophobicContact CE2-CG2 4.07Å; F291-L311 HydrophobicContact CD2-CD2 4.23Å; F291-L311 HydrophobicContact CE2-CD2 4.08Å
292	P	84.5	Confident	82.3	Confident	65 Å²	65	77.4 Å²	77.4	42%	0.422	41%	0.413	S	S	.	.	H	α-helix	trans	-62.6	-35.7	175.3	-27	36.3	0	0	0	114.3	L288 R289 L294 S304	L288-P292 WeakPolarHBondContact O-CD 3Å; L288-P292 WeakPolarHBondContact O-CG 3.38Å; R289-P292 WeakPolarHBondContact O-CD 3.38Å; P292-L294 VanDerWaalsContact C-N 3.26Å; P292-L294 PolarHBondContact O-N 3.45Å; P292-S304 PolarHBondContact O-OG 2.72Å
293	E	84.5	Confident	82.4	Confident	142 Å²	142	72.5 Å²	72.5	66%	0.664	39%	0.386	S	S	*	.	H	α-helix	trans	-72.1	-22.3	-178.8	-64.5	-176.8	178.7	0	0	112.8	D290 F291	D290-E293 PolarHBondContact O-N 3.25Å; F291-E293 VanDerWaalsContact C-N 3.34Å; F291-E293 PolarHBondContact O-N 3.37Å
294	L	81.3	Confident	82.7	Confident	38 Å²	38	71.4 Å²	71.4	20%	0.199	38%	0.383	C	S	.	.			trans	-79.7	126.2	-177.6	-66.6	163.5	0	0	0	110.7	K265 D290 F291 P292 S304 I305	K265-L294 HydrophobicContact CD-CD1 3.81Å; K265-L294 HydrophobicContact CD-CD2 3.94Å; K265-L294 HydrophobicContact CD-CG 4.41Å; K265-L294 HydrophobicContact CG-CD1 3.97Å; K265-L294 VanDerWaalsContact NZ-CD1 3.32Å; D290-L294 WeakPolarHBondContact O-CD1 3.4Å; D290-L294 WeakPolarHBondContact O-CG 3.35Å; D290-L294 PolarHBondContact O-N 2.85Å; F291-L294 PolarHBondContact O-N 3.06Å; P292-L294 VanDerWaalsContact C-N 3.26Å; P292-L294 PolarHBondContact O-N 3.45Å; L294-S304 WeakPolarHBondContact O-CA 3.33Å; L294-I305 HydrophobicContact CB-CD1 3.61Å; L294-I305 HydrophobicContact CB-CG1 3.84Å; L294-I305 HydrophobicContact CB-CG2 4.36Å; L294-I305 HydrophobicContact CD1-CD1 3.7Å; L294-I305 HydrophobicContact CG-CD1 4.34Å; L294-I305 PolarHBondContact O-N 2.96Å
295	T	83.9	Confident	82.9	Confident	93 Å²	93	71.2 Å²	71.2	57%	0.571	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.1	150.4	179.4	53.4	0	0	0	0	111.2	E303	T295-E303 CarbonylContact C-O 3.58Å; T295-E303 VanDerWaalsContact CA-O 3.27Å; T295-E303 WeakPolarHBondContact CA-O 3.34Å
296	M	81.5	Confident	83.1	Confident	30 Å²	30	69.4 Å²	69.4	15%	0.148	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	148.9	174	57.9	-170.8	-99.6	0	0	108.8	L161 V298 T302 E303 I305 R308	L161-M296 HydrophobicContact CD2-CE 3.49Å; L161-M296 VanDerWaalsContact CD2-CE 3.49Å; L161-M296 HydrophobicContact CD2-SD 4.15Å; M296-V298 HydrophobicContact CE-CB 4.49Å; M296-V298 HydrophobicContact CE-CG2 3.09Å; M296-V298 HydrophobicContact CG-CG2 4.36Å; M296-T302 WeakPolarHBondContact O-CA 3.28Å; M296-E303 WeakPolarHBondContact CG-O 3.42Å; M296-E303 PolarHBondContact N-O 3.21Å; M296-E303 PolarHBondContact O-N 3.14Å; M296-I305 HydrophobicContact CB-CG2 4.34Å; M296-I305 HydrophobicContact CG-CG2 4.24Å; M296-I305 HydrophobicContact SD-CG2 4.04Å; M296-R308 HydrophobicContact SD-CG 4.31Å; M296-R308 PolarHBondContact SD-NE 2.95Å
297	E	78.9	Confident	83.3	Confident	138 Å²	138	67.8 Å²	67.8	65%	0.645	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	117.7	174.5	-167.7	176.4	169.2	0	0	109	K301	E297-K301 WeakPolarHBondContact CA-O 3.33Å
298	V	77.2	Confident	83.7	Confident	53 Å²	53	68.4 Å²	68.4	32%	0.321	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	127.9	172.9	-178.3	0	0	0	0	107.9	L161 M296 G300 K301	L161-V298 HydrophobicContact CD2-CG2 4.33Å; M296-V298 HydrophobicContact CE-CB 4.49Å; M296-V298 HydrophobicContact CE-CG2 3.09Å; M296-V298 HydrophobicContact CG-CG2 4.36Å; V298-G300 PolarHBondContact O-N 2.94Å; V298-G300 VanDerWaalsContact O-N 3.13Å; V298-K301 PolarHBondContact N-O 2.96Å; V298-K301 PolarHBondContact O-N 3.18Å
299	D	76	Confident	84.2	Confident	162 Å²	162	65.8 Å²	65.8	87%	0.866	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	36.7	-179.5	-56.5	-34	0	0	0	113.3	K301	D299-K301 VanDerWaalsContact C-N 3.27Å; D299-K301 PolarHBondContact O-N 3.44Å
300	G	72.6	Confident	84.5	Confident	60 Å²	60	58.7 Å²	58.7	62%	0.619	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	9.8	-179.2	0	0	0	0	0	115.1	V298	V298-G300 PolarHBondContact O-N 2.94Å; V298-G300 VanDerWaalsContact O-N 3.13Å
301	K	81.8	Confident	85	Confident	146 Å²	146	57.3 Å²	57.3	64%	0.635	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.5	134	174	-69.3	179.9	-178	176.2	0	110.7	E297 V298 D299	E297-K301 WeakPolarHBondContact CA-O 3.33Å; V298-K301 PolarHBondContact N-O 2.96Å; V298-K301 PolarHBondContact O-N 3.18Å; D299-K301 VanDerWaalsContact C-N 3.27Å; D299-K301 PolarHBondContact O-N 3.44Å
302	T	83.9	Confident	85.7	Confident	105 Å²	105	57.2 Å²	57.2	64%	0.644	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	115.5	172.4	54.2	0	0	0	0	109.7	M296	M296-T302 WeakPolarHBondContact O-CA 3.28Å
303	E	85.7	Confident	86.1	Confident	33 Å²	33	54.3 Å²	54.3	15%	0.154	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	150.9	-180	-73.8	-76.6	-165.1	0	0	110.6	S160 L161 T295 M296 K307	S160-E303 WeakPolarHBondContact CB-OE1 3.41Å; S160-E303 PolarHBondContact OG-OE1 3.03Å; L161-E303 HydrophobicContact CD1-CB 3.54Å; L161-E303 HydrophobicContact CD1-CG 3.71Å; L161-E303 HydrophobicContact CD2-CB 4.21Å; L161-E303 HydrophobicContact CG-CB 4.23Å; L161-E303 HydrophobicContact CG-CG 4.39Å; T295-E303 CarbonylContact C-O 3.58Å; T295-E303 VanDerWaalsContact CA-O 3.27Å; T295-E303 WeakPolarHBondContact CA-O 3.34Å; M296-E303 WeakPolarHBondContact CG-O 3.42Å; M296-E303 PolarHBondContact N-O 3.21Å; M296-E303 PolarHBondContact O-N 3.14Å; E303-K307 IonicContact OE1-NZ 3.94Å; E303-K307 WeakPolarHBondContact OE2-CD 3.39Å; E303-K307 WeakPolarHBondContact OE2-CE 3.25Å; E303-K307 IonicContact OE2-NZ 3.41Å; E303-K307 PolarHBondContact OE2-NZ 3.42Å
304	S	89.8	Confident	86.5	Confident	25 Å²	25	47.6 Å²	47.6	18%	0.175	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	140.2	178.7	177.3	0	0	0	0	111.2	P292 L294 M306 K307	P292-S304 PolarHBondContact O-OG 2.72Å; L294-S304 WeakPolarHBondContact O-CA 3.33Å; S304-M306 PolarHBondContact O-N 3.11Å; S304-M306 PolarHBondContact OG-N 2.89Å; S304-K307 PolarHBondContact O-N 2.7Å
305	I	88.6	Confident	87	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.01	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-63.5	-22.9	177.3	66.3	168.7	0	0	0	112.5	K265 F291 L294 M296 K307 R308 T309	K265-I305 HydrophobicContact CG-CD1 4.22Å; F291-I305 HydrophobicContact CB-CD1 4.33Å; F291-I305 HydrophobicContact CD2-CD1 4Å; F291-I305 HydrophobicContact CG-CD1 4.07Å; F291-I305 WeakPolarHBondContact O-CG1 3.4Å; L294-I305 HydrophobicContact CB-CD1 3.61Å; L294-I305 HydrophobicContact CB-CG1 3.84Å; L294-I305 HydrophobicContact CB-CG2 4.36Å; L294-I305 HydrophobicContact CD1-CD1 3.7Å; L294-I305 HydrophobicContact CG-CD1 4.34Å; L294-I305 PolarHBondContact O-N 2.96Å; M296-I305 HydrophobicContact CB-CG2 4.34Å; M296-I305 HydrophobicContact CG-CG2 4.24Å; M296-I305 HydrophobicContact SD-CG2 4.04Å; I305-K307 PolarHBondContact O-N 2.63Å; I305-R308 WeakPolarHBondContact O-CG 3.37Å; I305-R308 PolarHBondContact O-N 3.19Å; I305-R308 VanDerWaalsContact O-N 3.15Å; I305-T309 WeakPolarHBondContact O-CB 3.36Å; I305-T309 PolarHBondContact O-N 2.97Å; I305-T309 PolarHBondContact O-OG1 2.94Å
306	M	89.1	Confident	87.2	Confident	25 Å²	25	45.7 Å²	45.7	12%	0.123	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-62.4	-29.2	179.6	-165	64	-165.1	0	0	111.5	G96 I98 F291 S304 R308 T309 L311	G96-M306 VanDerWaalsContact CA-O 3.27Å; G96-M306 WeakPolarHBondContact CA-O 3.43Å; G96-M306 PolarHBondContact N-O 2.9Å; G96-M306 WeakPolarHBondContact O-CE 3.34Å; I98-M306 HydrophobicContact CG1-CE 3.99Å; F291-M306 HydrophobicContact CB-SD 4.32Å; S304-M306 PolarHBondContact O-N 3.11Å; S304-M306 PolarHBondContact OG-N 2.89Å; M306-R308 PolarHBondContact O-N 2.79Å; M306-T309 PolarHBondContact O-N 3.44Å; M306-T309 VanDerWaalsContact O-O 3.14Å; M306-L311 HydrophobicContact CE-CD1 3.78Å; M306-L311 HydrophobicContact CE-CG 4Å; M306-L311 HydrophobicContact SD-CD1 4.11Å; M306-L311 HydrophobicContact SD-CG 4.49Å
307	K	90.5	Very high	87.6	Confident	65 Å²	65	50.7 Å²	50.7	28%	0.283	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-67.1	-15.7	178.4	-70.5	-175.6	175.3	179.9	0	114.4	N159 L161 E303 S304 I305	N159-K307 HydrophobicContact CB-CB 4.17Å; N159-K307 HydrophobicContact CB-CD 4.46Å; N159-K307 PolarHBondContact ND2-O 3.19Å; L161-K307 HydrophobicContact CD1-CB 3.89Å; L161-K307 HydrophobicContact CD1-CD 3.87Å; E303-K307 IonicContact OE1-NZ 3.94Å; E303-K307 WeakPolarHBondContact OE2-CD 3.39Å; E303-K307 WeakPolarHBondContact OE2-CE 3.25Å; E303-K307 IonicContact OE2-NZ 3.41Å; E303-K307 PolarHBondContact OE2-NZ 3.42Å; S304-K307 PolarHBondContact O-N 2.7Å; I305-K307 PolarHBondContact O-N 2.63Å
308	R	92.1	Very high	88.1	Confident	20 Å²	20	45.8 Å²	45.8	8%	0.075	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-118.1	9.4	175.8	68.6	163.5	-175.5	-177.2	-2.9	113.3	I162 S264 K265 S269 D270 V271 I272 M296 I305 M306	I162-R308 HydrophobicContact CD1-CB 4.26Å; I162-R308 HydrophobicContact CG1-CB 4.19Å; S264-R308 PolarHBondContact O-NH2 2.85Å; K265-R308 PolarHBondContact O-NH2 3.45Å; S269-R308 PolarHBondContact O-NH1 3.43Å; D270-R308 WeakPolarHBondContact O-CD 3.44Å; V271-R308 WeakPolarHBondContact CA-O 3.41Å; I272-R308 PolarHBondContact N-O 3.41Å; M296-R308 HydrophobicContact SD-CG 4.31Å; M296-R308 PolarHBondContact SD-NE 2.95Å; I305-R308 WeakPolarHBondContact O-CG 3.37Å; I305-R308 PolarHBondContact O-N 3.19Å; I305-R308 VanDerWaalsContact O-N 3.15Å; M306-R308 PolarHBondContact O-N 2.79Å
309	T	93.3	Very high	88.7	Confident	0 Å²	0	45 Å²	45	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	134.5	-174.9	-54.2	0	0	0	0	110.3	G96 I272 F291 I305 M306 L311	G96-T309 PolarHBondContact N-O 3Å; I272-T309 HydrophobicContact CB-CG2 4.11Å; I272-T309 HydrophobicContact CG2-CG2 4.18Å; I272-T309 CarbonylContact O-C 3.55Å; I272-T309 VanDerWaalsContact O-CA 3.27Å; I272-T309 WeakPolarHBondContact O-CA 3.39Å; F291-T309 HydrophobicContact CD2-CG2 4.16Å; F291-T309 HydrophobicContact CE2-CG2 4.07Å; I305-T309 WeakPolarHBondContact O-CB 3.36Å; I305-T309 PolarHBondContact O-N 2.97Å; I305-T309 PolarHBondContact O-OG1 2.94Å; M306-T309 PolarHBondContact O-N 3.44Å; M306-T309 VanDerWaalsContact O-O 3.14Å; T309-L311 HydrophobicContact CG2-CD2 3.66Å; T309-L311 HydrophobicContact CG2-CG 4.35Å
310	A	94.4	Very high	89.3	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	134.4	167.7	0	0	0	0	0	109.5	I94 I272 V273 Y274	I94-A310 HydrophobicContact CG2-CB 4Å; I272-A310 PolarHBondContact O-N 3.2Å; V273-A310 WeakPolarHBondContact CA-O 3.17Å; Y274-A310 PolarHBondContact N-O 3.16Å
311	L	94.3	Very high	90.1	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	-113.1	128.9	-177.4	-58	-177.1	0	0	0	110.1	S97 I98 F99 Y274 V287 L288 F291 M306 T309	S97-L311 PolarHBondContact O-N 3.49Å; I98-L311 WeakPolarHBondContact CA-O 3.48Å; I98-L311 HydrophobicContact CG1-CB 4.34Å; I98-L311 HydrophobicContact CG1-CD1 4.31Å; I98-L311 HydrophobicContact CG2-CB 4.29Å; F99-L311 PolarHBondContact N-O 2.92Å; Y274-L311 HydrophobicContact CD1-CD2 4.19Å; Y274-L311 HydrophobicContact CG-CD2 4.17Å; Y274-L311 WeakPolarHBondContact O-CA 3.32Å; V287-L311 HydrophobicContact CG1-CD1 4.39Å; L288-L311 HydrophobicContact CD2-CD1 3.44Å; L288-L311 VanDerWaalsContact CD2-CD1 3.44Å; F291-L311 HydrophobicContact CD2-CD2 4.23Å; F291-L311 HydrophobicContact CE2-CD2 4.08Å; M306-L311 HydrophobicContact CE-CD1 3.78Å; M306-L311 HydrophobicContact CE-CG 4Å; M306-L311 HydrophobicContact SD-CD1 4.11Å; M306-L311 HydrophobicContact SD-CG 4.49Å; T309-L311 HydrophobicContact CG2-CD2 3.66Å; T309-L311 HydrophobicContact CG2-CG 4.35Å
312	V	95.4	Very high	90.4	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	105.2	169.7	-176.4	0	0	0	0	107.4	F99 Y274 V275 G276 T329 L333	F99-V312 CarbonylContact O-C 3.5Å; F99-V312 WeakPolarHBondContact O-CA 3.41Å; Y274-V312 PolarHBondContact O-N 3.22Å; V275-V312 CarbonylContact C-O 3.6Å; V275-V312 WeakPolarHBondContact CA-O 3.25Å; V275-V312 HydrophobicContact CB-CB 4.46Å; V275-V312 HydrophobicContact CG1-CB 4.2Å; V275-V312 HydrophobicContact CG1-CG1 4.31Å; V275-V312 HydrophobicContact CG2-CB 4.19Å; V275-V312 HydrophobicContact CG2-CG2 4.38Å; G276-V312 PolarHBondContact N-O 3.14Å; V312-T329 HydrophobicContact CG2-CG2 4.42Å; V312-L333 HydrophobicContact CG2-CD1 4.08Å
313	A	93.3	Very high	90.8	Very high	4 Å²	4	25.4 Å²	25.4	3%	0.033	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	108.4	-174.5	0	0	0	0	0	110.5	I98 F99 L106 M284	I98-A313 HydrophobicContact CG2-CB 4.16Å; F99-A313 PolarHBondContact O-N 2.9Å; L106-A313 HydrophobicContact CD1-CB 4.08Å; M284-A313 HydrophobicContact CE-CB 3.66Å
314	N	93.3	Very high	91.1	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	103.3	168.7	-170.5	92.9	0	0	0	110.5	G276 G278 M318 A322 R323	G276-N314 CarbonylContact O-C 3.5Å; G276-N314 WeakPolarHBondContact O-CA 3.48Å; G276-N314 VanDerWaalsContact O-CB 3.3Å; G276-N314 WeakPolarHBondContact O-CB 3.36Å; G276-N314 PolarHBondContact O-N 2.64Å; G276-N314 VanDerWaalsContact O-O 3.08Å; G278-N314 PolarHBondContact N-O 2.74Å; N314-M318 HydrophobicContact CB-SD 4.36Å; N314-A322 VanDerWaalsContact OD1-CB 3.25Å; N314-A322 WeakPolarHBondContact OD1-CB 3.42Å; N314-R323 WeakPolarHBondContact ND2-CG 3.37Å
315	T	91.9	Very high	91.2	Very high	30 Å²	30	23 Å²	23	18%	0.184	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	164.8	-178.5	67.6	0	0	0	0	112.2	E279 M284 N317 M318	E279-T315 CarbonylContact O-C 3.54Å; E279-T315 WeakPolarHBondContact O-CA 3.38Å; M284-T315 HydrophobicContact CG-CG2 4.5Å; T315-N317 PolarHBondContact O-N 2.87Å; T315-M318 WeakPolarHBondContact O-CB 3.32Å; T315-M318 PolarHBondContact O-N 2.87Å
316	S	88.1	Confident	91.5	Very high	60 Å²	60	23 Å²	23	42%	0.42	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-24.3	174	59.7	0	0	0	0	113.9	E279 M318 R323	E279-S316 PolarHBondContact O-N 3.49Å; S316-M318 VanDerWaalsContact C-N 3.35Å; S316-R323 PolarHBondContact O-NH2 2.83Å
317	N	88.6	Confident	91.8	Very high	136 Å²	136	21.8 Å²	21.8	73%	0.727	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-15.3	176	-165.3	42	0	0	0	113	T315	T315-N317 PolarHBondContact O-N 2.87Å
318	M	89.9	Confident	92.1	Very high	35 Å²	35	19 Å²	19	17%	0.172	11%	0.107	C	C	.	.	S	Bend	trans	-76.3	155.1	175.9	-71.2	177.9	178	0	0	111.2	I118 N314 T315 S316	I118-M318 HydrophobicContact CD1-CE 3.76Å; N314-M318 HydrophobicContact CB-SD 4.36Å; T315-M318 WeakPolarHBondContact O-CB 3.32Å; T315-M318 PolarHBondContact O-N 2.87Å; S316-M318 VanDerWaalsContact C-N 3.35Å
319	P	89.8	Confident	92.3	Very high	37 Å²	37	18.1 Å²	18.1	24%	0.24	10%	0.103	C	C	.	.			trans	-52.7	146.6	-177.9	-29.2	36.9	0	0	0	114	Y67 A321 A322	Y67-P319 VanDerWaalsContact O-CB 3.3Å; Y67-P319 WeakPolarHBondContact O-CB 3.42Å; Y67-P319 VanDerWaalsContact O-CG 3.28Å; Y67-P319 WeakPolarHBondContact O-CG 3.21Å; P319-A321 VanDerWaalsContact C-N 3.3Å; P319-A321 PolarHBondContact O-N 2.83Å; P319-A322 WeakPolarHBondContact O-CB 3.13Å; P319-A322 PolarHBondContact O-N 3.19Å; P319-A322 VanDerWaalsContact O-N 3.09Å
320	V	89.1	Confident	92.4	Very high	24 Å²	24	18.1 Å²	18.1	15%	0.145	10%	0.103	C	C	.	.	H	α-helix	trans	-63.3	-38.3	-174.7	-179.9	0	0	0	0	111.6	A322 R323 A357 E360	V320-A322 VanDerWaalsContact C-N 3.3Å; V320-A322 PolarHBondContact O-N 2.88Å; V320-R323 VanDerWaalsContact O-CB 3.29Å; V320-R323 WeakPolarHBondContact O-CB 3.38Å; V320-R323 PolarHBondContact O-N 3.41Å; V320-A357 VanDerWaalsContact CG1-CA 3.46Å; V320-A357 HydrophobicContact CG1-CB 3.44Å; V320-A357 VanDerWaalsContact CG1-CB 3.44Å; V320-E360 HydrophobicContact CG1-CB 4.23Å; V320-E360 WeakPolarHBondContact CG2-OE2 3.43Å
321	A	88.5	Confident	92.6	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.008	10%	0.103	C	C	.	.	H	α-helix	trans	-61.4	-37.9	176	0	0	0	0	0	112.3	Q65 Y67 P319 R323 E324 A325	Q65-A321 HydrophobicContact CG-CB 3.77Å; Y67-A321 VanDerWaalsContact CD1-C 3.43Å; Y67-A321 HydrophobicContact CD1-CB 3.34Å; Y67-A321 HydrophobicContact CE1-CB 3.66Å; Y67-A321 VanDerWaalsContact CE1-O 3.29Å; Y67-A321 WeakPolarHBondContact CE1-O 3.44Å; Y67-A321 HydrophobicContact CG-CB 4.25Å; P319-A321 VanDerWaalsContact C-N 3.3Å; P319-A321 PolarHBondContact O-N 2.83Å; A321-R323 PolarHBondContact O-N 2.94Å; A321-E324 PolarHBondContact O-N 2.83Å; A321-E324 VanDerWaalsContact O-N 3.11Å; A321-A325 PolarHBondContact O-N 3.34Å; A321-A325 VanDerWaalsContact O-N 3.16Å
322	A	89.9	Confident	92.7	Very high	7 Å²	7	18.1 Å²	18.1	6%	0.058	10%	0.103	C	C	.	.	H	α-helix	trans	-66.8	-23	-179.7	0	0	0	0	0	112.6	N314 P319 V320 A325 S326	N314-A322 VanDerWaalsContact OD1-CB 3.25Å; N314-A322 WeakPolarHBondContact OD1-CB 3.42Å; P319-A322 WeakPolarHBondContact O-CB 3.13Å; P319-A322 PolarHBondContact O-N 3.19Å; P319-A322 VanDerWaalsContact O-N 3.09Å; V320-A322 VanDerWaalsContact C-N 3.3Å; V320-A322 PolarHBondContact O-N 2.88Å; A322-A325 PolarHBondContact O-N 3.28Å; A322-S326 WeakPolarHBondContact O-CB 3.45Å; A322-S326 PolarHBondContact O-N 3.33Å
323	R	91.8	Very high	92.8	Very high	29 Å²	29	18.1 Å²	18.1	11%	0.109	10%	0.103	C	C	.	.	H	α-helix	trans	-65.7	-39.6	171.8	-63.4	174.1	-173.3	-174.1	6.2	112.4	N314 S316 V320 A321 S326 A357	N314-R323 WeakPolarHBondContact ND2-CG 3.37Å; S316-R323 PolarHBondContact O-NH2 2.83Å; V320-R323 VanDerWaalsContact O-CB 3.29Å; V320-R323 WeakPolarHBondContact O-CB 3.38Å; V320-R323 PolarHBondContact O-N 3.41Å; A321-R323 PolarHBondContact O-N 2.94Å; R323-S326 PolarHBondContact O-OG 3.02Å; R323-A357 HydrophobicContact CB-CB 4.1Å
324	E	91.3	Very high	93	Very high	8 Å²	8	17.9 Å²	17.9	4%	0.037	10%	0.102	C	C	.	.	H	α-helix	trans	-68.9	-45.6	174.4	175.1	178.9	-179.6	0	0	110.6	R212 A321 S326 I327 Y328 L358	R212-E324 IonicContact CZ-OE1 4Å; R212-E324 IonicContact NH1-OE1 3.77Å; R212-E324 PolarHBondContact NH1-OE1 2.79Å; R212-E324 IonicContact NH2-OE1 3.07Å; R212-E324 PolarHBondContact NH2-OE1 2.61Å; A321-E324 PolarHBondContact O-N 2.83Å; A321-E324 VanDerWaalsContact O-N 3.11Å; E324-S326 VanDerWaalsContact C-N 3.32Å; E324-S326 PolarHBondContact O-N 3.31Å; E324-I327 PolarHBondContact O-N 2.91Å; E324-Y328 HydrophobicContact CG-CD2 3.99Å; E324-Y328 HydrophobicContact CG-CE2 3.55Å; E324-Y328 VanDerWaalsContact O-CD2 3.22Å; E324-Y328 WeakPolarHBondContact O-CD2 3.31Å; E324-Y328 WeakPolarHBondContact OE1-CE2 3.2Å; E324-L358 HydrophobicContact CG-CD2 4.42Å
325	A	92	Very high	93.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60.9	-39.2	179.3	0	0	0	0	0	112.5	Y67 L86 G101 I102 A321 A322 I327 Y328 T329	Y67-A325 HydrophobicContact CD1-CB 4.33Å; Y67-A325 HydrophobicContact CE1-CB 3.83Å; L86-A325 HydrophobicContact CD2-CB 3.9Å; G101-A325 CarbonylContact O-C 3.58Å; G101-A325 WeakPolarHBondContact O-CB 3.18Å; I102-A325 HydrophobicContact CG2-CB 4.34Å; A321-A325 PolarHBondContact O-N 3.34Å; A321-A325 VanDerWaalsContact O-N 3.16Å; A322-A325 PolarHBondContact O-N 3.28Å; A325-I327 VanDerWaalsContact C-N 3.33Å; A325-I327 PolarHBondContact O-N 3.2Å; A325-Y328 PolarHBondContact O-N 3.11Å; A325-Y328 VanDerWaalsContact O-N 3.16Å; A325-T329 WeakPolarHBondContact O-CB 3.49Å; A325-T329 PolarHBondContact O-N 3.35Å; A325-T329 PolarHBondContact O-OG1 3.49Å; A325-T329 VanDerWaalsContact O-OG1 3.05Å
326	S	95.2	Very high	93.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.8	-39.3	-176.4	70.7	0	0	0	0	113.2	G101 A322 R323 E324 T329 G330	G101-S326 PolarHBondContact O-N 2.91Å; A322-S326 WeakPolarHBondContact O-CB 3.45Å; A322-S326 PolarHBondContact O-N 3.33Å; R323-S326 PolarHBondContact O-OG 3.02Å; E324-S326 VanDerWaalsContact C-N 3.32Å; E324-S326 PolarHBondContact O-N 3.31Å; S326-T329 PolarHBondContact O-N 2.87Å; S326-G330 PolarHBondContact O-N 3.37Å
327	I	96.1	Very high	93.9	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-63.9	-46.4	176.7	-63.9	-66.4	0	0	0	110.4	V275 C277 E324 A325 G330 I331 A348 W354 F385	V275-I327 HydrophobicContact CG1-CD1 4.01Å; C277-I327 HydrophobicContact CB-CD1 3.89Å; C277-I327 HydrophobicContact CB-CG1 4.29Å; E324-I327 PolarHBondContact O-N 2.91Å; A325-I327 VanDerWaalsContact C-N 3.33Å; A325-I327 PolarHBondContact O-N 3.2Å; I327-G330 PolarHBondContact O-N 2.85Å; I327-I331 WeakPolarHBondContact O-CG2 3.38Å; I327-I331 PolarHBondContact O-N 2.93Å; I327-A348 HydrophobicContact CD1-CB 4.01Å; I327-W354 HydrophobicContact CG1-CB 4.24Å; I327-W354 HydrophobicContact CG1-CD2 4.25Å; I327-W354 HydrophobicContact CG1-CG 4.12Å; I327-W354 HydrophobicContact CG2-CE3 4.34Å; I327-W354 HydrophobicContact CG2-CZ3 4.36Å; I327-F385 HydrophobicContact CG2-CD2 3.52Å; I327-F385 HydrophobicContact CG2-CE2 3.4Å; I327-F385 VanDerWaalsContact CG2-CE2 3.4Å; I327-F385 HydrophobicContact CG2-CG 4.2Å; I327-F385 HydrophobicContact CG2-CZ 3.99Å
328	Y	96.1	Very high	94.3	Very high	8 Å²	8	7.5 Å²	7.5	3%	0.031	4%	0.04	C	C	.	.	H	α-helix	trans	-68.1	-36.6	178.6	-66.9	-60.1	0	0	0	113.1	R212 E324 A325 I331 T332 W354 R381	R212-Y328 VanDerWaalsContact NH1-CE2 3.3Å; E324-Y328 HydrophobicContact CG-CD2 3.99Å; E324-Y328 HydrophobicContact CG-CE2 3.55Å; E324-Y328 VanDerWaalsContact O-CD2 3.22Å; E324-Y328 WeakPolarHBondContact O-CD2 3.31Å; E324-Y328 WeakPolarHBondContact OE1-CE2 3.2Å; A325-Y328 PolarHBondContact O-N 3.11Å; A325-Y328 VanDerWaalsContact O-N 3.16Å; Y328-I331 VanDerWaalsContact O-CG2 3.24Å; Y328-I331 WeakPolarHBondContact O-CG2 3.38Å; Y328-T332 WeakPolarHBondContact O-CB 3.35Å; Y328-T332 PolarHBondContact O-N 2.97Å; Y328-T332 VanDerWaalsContact O-N 3.11Å; Y328-T332 PolarHBondContact O-OG1 3.3Å; Y328-W354 HydrophobicContact CE2-CZ2 4.41Å; Y328-R381 WeakPolarHBondContact OH-CD 3.32Å
329	T	96.2	Very high	94.6	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-60.6	-52.8	172.9	-65.2	0	0	0	0	110	V88 G101 Q103 V312 A325 S326 I331 T332 L333	V88-T329 HydrophobicContact CG1-CG2 3.89Å; G101-T329 PolarHBondContact O-OG1 2.94Å; G101-T329 VanDerWaalsContact O-OG1 3.13Å; Q103-T329 HydrophobicContact CB-CG2 4.17Å; Q103-T329 HydrophobicContact CG-CG2 4.27Å; V312-T329 HydrophobicContact CG2-CG2 4.42Å; A325-T329 WeakPolarHBondContact O-CB 3.49Å; A325-T329 PolarHBondContact O-N 3.35Å; A325-T329 PolarHBondContact O-OG1 3.49Å; A325-T329 VanDerWaalsContact O-OG1 3.05Å; S326-T329 PolarHBondContact O-N 2.87Å; T329-I331 PolarHBondContact O-N 3.09Å; T329-T332 PolarHBondContact O-N 3.3Å; T329-T332 VanDerWaalsContact O-N 3.17Å; T329-L333 HydrophobicContact CG2-CD1 4.35Å; T329-L333 WeakPolarHBondContact O-CG 3.41Å; T329-L333 PolarHBondContact O-N 3.46Å
330	G	96.5	Very high	94.8	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-63.8	-39.8	-178.1	0	0	0	0	0	114.5	S326 I327 T332 L333 S334	S326-G330 PolarHBondContact O-N 3.37Å; I327-G330 PolarHBondContact O-N 2.85Å; G330-T332 VanDerWaalsContact C-N 3.31Å; G330-T332 PolarHBondContact O-N 3.21Å; G330-L333 PolarHBondContact O-N 2.86Å; G330-S334 WeakPolarHBondContact O-CB 3.42Å; G330-S334 PolarHBondContact O-N 3.09Å; G330-S334 PolarHBondContact O-OG 2.91Å
331	I	97.5	Very high	95.1	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-67.9	-34	175.6	-171.4	61.5	0	0	0	111.5	I327 Y328 T329 S334 E335 M346 F385 R388 V404 I406	I327-I331 WeakPolarHBondContact O-CG2 3.38Å; I327-I331 PolarHBondContact O-N 2.93Å; Y328-I331 VanDerWaalsContact O-CG2 3.24Å; Y328-I331 WeakPolarHBondContact O-CG2 3.38Å; T329-I331 PolarHBondContact O-N 3.09Å; I331-S334 WeakPolarHBondContact O-CB 3.45Å; I331-S334 PolarHBondContact O-N 3.09Å; I331-E335 WeakPolarHBondContact O-CG 3.45Å; I331-E335 PolarHBondContact O-N 2.85Å; I331-M346 HydrophobicContact CB-CE 4.23Å; I331-M346 HydrophobicContact CB-SD 3.81Å; I331-M346 HydrophobicContact CD1-SD 3.67Å; I331-M346 HydrophobicContact CG1-SD 4.33Å; I331-F385 HydrophobicContact CB-CD2 4.38Å; I331-F385 HydrophobicContact CB-CE2 4.02Å; I331-F385 HydrophobicContact CG1-CE2 4.36Å; I331-F385 HydrophobicContact CG2-CD2 4.47Å; I331-F385 HydrophobicContact CG2-CE2 4.5Å; I331-R388 HydrophobicContact CD1-CB 4.12Å; I331-R388 HydrophobicContact CG1-CB 3.89Å; 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 3.63Å; I331-I406 HydrophobicContact CD1-CG1 4.16Å
332	T	97.4	Very high	95.5	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-69.6	-38.9	177.4	-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 CG-CG2 4.42Å; V211-T332 WeakPolarHBondContact CA-OG1 3.42Å; V211-T332 PolarHBondContact O-OG1 2.95Å; Y328-T332 WeakPolarHBondContact O-CB 3.35Å; Y328-T332 PolarHBondContact O-N 2.97Å; Y328-T332 VanDerWaalsContact O-N 3.11Å; Y328-T332 PolarHBondContact O-OG1 3.3Å; T329-T332 PolarHBondContact O-N 3.3Å; T329-T332 VanDerWaalsContact O-N 3.17Å; G330-T332 VanDerWaalsContact C-N 3.31Å; G330-T332 PolarHBondContact O-N 3.21Å; T332-S334 VanDerWaalsContact C-N 3.3Å; T332-S334 PolarHBondContact O-N 3.01Å; T332-E335 PolarHBondContact O-N 3.21Å; T332-Y336 WeakPolarHBondContact O-CB 3.47Å; T332-Y336 PolarHBondContact O-N 3.46Å; T332-R388 PolarHBondContact OG1-NH2 2.74Å
333	L	97.1	Very high	95.8	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-60.9	-40.9	169.3	-65.7	177.8	0	0	0	111.2	L90 I94 V312 T329 G330 Y336 F337	L90-L333 HydrophobicContact CD2-CD2 3.72Å; I94-L333 HydrophobicContact CD1-CD2 4Å; I94-L333 HydrophobicContact CG2-CD2 4.24Å; V312-L333 HydrophobicContact CG2-CD1 4.08Å; T329-L333 HydrophobicContact CG2-CD1 4.35Å; T329-L333 WeakPolarHBondContact O-CG 3.41Å; T329-L333 PolarHBondContact O-N 3.46Å; G330-L333 PolarHBondContact O-N 2.86Å; L333-Y336 WeakPolarHBondContact O-CB 3.48Å; L333-Y336 PolarHBondContact O-N 3.21Å; L333-F337 WeakPolarHBondContact O-CD2 3.32Å; L333-F337 PolarHBondContact O-N 3.42Å; L333-F337 VanDerWaalsContact O-N 3.15Å
334	S	97.6	Very high	96.1	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-65.3	-45.1	179.2	-55.6	0	0	0	0	112.1	V273 G330 I331 T332 Y336 F337 R338	V273-S334 WeakPolarHBondContact CB-OG 3.29Å; G330-S334 WeakPolarHBondContact O-CB 3.42Å; G330-S334 PolarHBondContact O-N 3.09Å; G330-S334 PolarHBondContact O-OG 2.91Å; I331-S334 WeakPolarHBondContact O-CB 3.45Å; I331-S334 PolarHBondContact O-N 3.09Å; T332-S334 VanDerWaalsContact C-N 3.3Å; T332-S334 PolarHBondContact O-N 3.01Å; S334-Y336 VanDerWaalsContact C-N 3.28Å; S334-Y336 PolarHBondContact O-N 3.13Å; S334-F337 PolarHBondContact O-N 3Å; S334-R338 WeakPolarHBondContact O-CB 3.14Å; S334-R338 PolarHBondContact O-N 2.81Å
335	E	97.3	Very high	96.4	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-64	-33.4	174.3	-70.5	-177.9	162.4	0	0	112.4	R215 I331 T332 R338 D339 R388	R215-E335 HydrophobicContact CB-CB 4.16Å; R215-E335 WeakPolarHBondContact CB-OE2 3.43Å; R215-E335 HydrophobicContact CG-CB 4.14Å; R215-E335 WeakPolarHBondContact CG-OE2 3.43Å; R215-E335 PolarHBondContact N-OE2 3.3Å; R215-E335 VanDerWaalsContact N-OE2 3.12Å; I331-E335 WeakPolarHBondContact O-CG 3.45Å; I331-E335 PolarHBondContact O-N 2.85Å; T332-E335 PolarHBondContact O-N 3.21Å; E335-R338 WeakPolarHBondContact O-CB 3.27Å; E335-R338 PolarHBondContact O-N 2.67Å; E335-D339 PolarHBondContact O-N 2.83Å; E335-R388 VanDerWaalsContact CD-NH2 3.27Å; E335-R388 WeakPolarHBondContact OE1-CB 3.36Å; E335-R388 WeakPolarHBondContact OE1-CG 3.44Å; E335-R388 IonicContact OE1-CZ 3.29Å; E335-R388 IonicContact OE1-NE 2.68Å; E335-R388 PolarHBondContact OE1-NE 2.97Å; E335-R388 IonicContact OE1-NH2 3.2Å; E335-R388 IonicContact OE2-CZ 3.12Å; E335-R388 IonicContact OE2-NE 3.53Å; E335-R388 IonicContact OE2-NH2 2.65Å; E335-R388 PolarHBondContact OE2-NH2 3.02Å
336	Y	97.1	Very high	96.6	Very high	1 Å²	1	5.5 Å²	5.5	0%	0.004	3%	0.031	C	C	.	.	H	α-helix	trans	-64	-47.5	176.7	175.7	-121.2	0	0	0	112.2	L90 I94 H164 M167 T332 L333 S334 R338 D339 M340	L90-Y336 HydrophobicContact CB-CD1 3.98Å; L90-Y336 HydrophobicContact CB-CD2 3.93Å; L90-Y336 HydrophobicContact CB-CE1 3.97Å; L90-Y336 HydrophobicContact CB-CE2 3.96Å; L90-Y336 HydrophobicContact CB-CG 3.94Å; L90-Y336 HydrophobicContact CD1-CD2 3.83Å; L90-Y336 HydrophobicContact CD1-CG 3.91Å; L90-Y336 HydrophobicContact CD2-CD1 4.04Å; L90-Y336 HydrophobicContact CD2-CG 3.92Å; L90-Y336 HydrophobicContact CG-CD1 4.45Å; L90-Y336 HydrophobicContact CG-CD2 4.34Å; L90-Y336 HydrophobicContact CG-CG 4.14Å; I94-Y336 HydrophobicContact CD1-CD1 4.44Å; I94-Y336 HydrophobicContact CD1-CE1 4.33Å; H164-Y336 AromaticContact CE1-CE1 3.72Å; H164-Y336 AromaticContact NE2-CE1 3.51Å; H164-Y336 AromaticContact NE2-CZ 3.51Å; H164-Y336 PolarHBondContact NE2-OH 2.99Å; M167-Y336 HydrophobicContact CE-CD2 3.99Å; M167-Y336 HydrophobicContact CE-CE2 3.64Å; T332-Y336 WeakPolarHBondContact O-CB 3.47Å; T332-Y336 PolarHBondContact O-N 3.46Å; L333-Y336 WeakPolarHBondContact O-CB 3.48Å; L333-Y336 PolarHBondContact O-N 3.21Å; S334-Y336 VanDerWaalsContact C-N 3.28Å; S334-Y336 PolarHBondContact O-N 3.13Å; Y336-R338 VanDerWaalsContact C-N 3.33Å; Y336-D339 PolarHBondContact O-N 3.16Å; Y336-M340 HydrophobicContact CD1-CE 3.88Å; Y336-M340 HydrophobicContact CD2-CE 4.39Å; Y336-M340 HydrophobicContact CE1-CE 3.22Å; Y336-M340 HydrophobicContact CE2-CE 3.78Å; Y336-M340 HydrophobicContact CG-CE 4.43Å; Y336-M340 WeakPolarHBondContact OH-CE 3.23Å
337	F	96.8	Very high	96.6	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-69.1	-32.5	176.4	-72.7	-63.3	0	0	0	112.5	I94 M95 V271 L333 S334 D339 M340 Y342 V344	I94-F337 HydrophobicContact CB-CZ 4.11Å; I94-F337 HydrophobicContact CG2-CE2 3.83Å; I94-F337 HydrophobicContact CG2-CZ 3.89Å; M95-F337 HydrophobicContact CE-CD1 3.5Å; M95-F337 VanDerWaalsContact CE-CD1 3.5Å; M95-F337 HydrophobicContact CE-CD2 4.07Å; M95-F337 HydrophobicContact CE-CE1 3.11Å; M95-F337 HydrophobicContact CE-CE2 3.71Å; M95-F337 HydrophobicContact CE-CG 3.98Å; M95-F337 HydrophobicContact CE-CZ 3.21Å; M95-F337 HydrophobicContact CG-CE1 4.47Å; M95-F337 HydrophobicContact CG-CZ 4.19Å; M95-F337 HydrophobicContact SD-CE1 4.25Å; M95-F337 HydrophobicContact SD-CE2 4.18Å; M95-F337 HydrophobicContact SD-CZ 3.8Å; V271-F337 HydrophobicContact CG1-CB 4.3Å; V271-F337 HydrophobicContact CG1-CD2 3.95Å; V271-F337 HydrophobicContact CG1-CE2 4.47Å; V271-F337 HydrophobicContact CG1-CG 4.05Å; V271-F337 HydrophobicContact CG2-CB 4.47Å; V271-F337 HydrophobicContact CG2-CG 4.48Å; L333-F337 WeakPolarHBondContact O-CD2 3.32Å; L333-F337 PolarHBondContact O-N 3.42Å; L333-F337 VanDerWaalsContact O-N 3.15Å; S334-F337 PolarHBondContact O-N 3Å; F337-D339 VanDerWaalsContact C-N 3.33Å; F337-D339 PolarHBondContact O-N 3.04Å; F337-M340 HydrophobicContact CD1-CE 3.97Å; F337-M340 HydrophobicContact CD1-SD 3.93Å; F337-M340 HydrophobicContact CE1-CE 4.08Å; F337-M340 HydrophobicContact CE1-SD 4.38Å; F337-M340 WeakPolarHBondContact O-CB 3.39Å; F337-M340 PolarHBondContact O-N 3.42Å; F337-Y342 PolarHBondContact O-N 2.91Å; F337-V344 HydrophobicContact CB-CG2 3.57Å
338	R	96.8	Very high	96.5	Very high	7 Å²	7	5.6 Å²	5.6	3%	0.026	3%	0.032	C	C	.	.	H	α-helix	trans	-58.4	-44.1	171.1	179.7	-156.7	66.6	-164.8	-2.8	111.9	S334 E335 Y336 M340 G341 V344 V392 C394 V404	S334-R338 WeakPolarHBondContact O-CB 3.14Å; S334-R338 PolarHBondContact O-N 2.81Å; E335-R338 WeakPolarHBondContact O-CB 3.27Å; E335-R338 PolarHBondContact O-N 2.67Å; Y336-R338 VanDerWaalsContact C-N 3.33Å; R338-M340 PolarHBondContact O-N 3.42Å; R338-G341 WeakPolarHBondContact O-CA 3.27Å; R338-G341 PolarHBondContact O-N 3.05Å; R338-V344 HydrophobicContact CB-CG2 4.38Å; R338-V392 HydrophobicContact CG-CG2 4.09Å; R338-C394 PolarHBondContact O-SG 2.82Å; R338-V404 HydrophobicContact CB-CG2 3.53Å; R338-V404 HydrophobicContact CG-CG2 3.82Å
339	D	96.1	Very high	96.4	Very high	9 Å²	9	5.3 Å²	5.3	5%	0.048	3%	0.031	C	C	.	.	H	α-helix	trans	-64.8	-20.8	-178.7	-68	-5	0	0	0	112.8	M167 R215 E335 Y336 F337 G341 R400	M167-D339 HydrophobicContact CE-CB 3.91Å; M167-D339 HydrophobicContact SD-CB 4.07Å; M167-D339 VanDerWaalsContact SD-O 3.35Å; R215-D339 IonicContact CZ-OD2 3.64Å; R215-D339 VanDerWaalsContact CZ-OD2 3.23Å; R215-D339 IonicContact NE-OD2 3.9Å; R215-D339 PolarHBondContact NE-OD2 2.71Å; R215-D339 IonicContact NH2-OD2 3.3Å; R215-D339 PolarHBondContact NH2-OD2 2.87Å; E335-D339 PolarHBondContact O-N 2.83Å; Y336-D339 PolarHBondContact O-N 3.16Å; F337-D339 VanDerWaalsContact C-N 3.33Å; F337-D339 PolarHBondContact O-N 3.04Å; D339-G341 PolarHBondContact O-N 2.79Å; D339-R400 PolarHBondContact O-NH1 3.29Å
340	M	95.3	Very high	96.1	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-9.9	170	-59.7	-175.8	-167.7	0	0	113	H164 K165 M167 Y336 F337 R338 Y342	H164-M340 WeakPolarHBondContact NE2-CE 3.32Å; K165-M340 HydrophobicContact CB-CB 4.29Å; K165-M340 HydrophobicContact CB-CG 4.17Å; K165-M340 HydrophobicContact CB-SD 4.38Å; K165-M340 HydrophobicContact CD-CB 4.2Å; K165-M340 VanDerWaalsContact CD-O 3.29Å; K165-M340 WeakPolarHBondContact CD-O 3.28Å; K165-M340 WeakPolarHBondContact CE-O 3.15Å; K165-M340 PolarHBondContact NZ-O 2.87Å; M167-M340 HydrophobicContact CE-CE 4.29Å; M167-M340 HydrophobicContact CE-CG 3.56Å; M167-M340 HydrophobicContact SD-CG 4.17Å; Y336-M340 HydrophobicContact CD1-CE 3.88Å; Y336-M340 HydrophobicContact CD2-CE 4.39Å; Y336-M340 HydrophobicContact CE1-CE 3.22Å; Y336-M340 HydrophobicContact CE2-CE 3.78Å; Y336-M340 HydrophobicContact CG-CE 4.43Å; Y336-M340 WeakPolarHBondContact OH-CE 3.23Å; F337-M340 HydrophobicContact CD1-CE 3.97Å; F337-M340 HydrophobicContact CD1-SD 3.93Å; F337-M340 HydrophobicContact CE1-CE 4.08Å; F337-M340 HydrophobicContact CE1-SD 4.38Å; F337-M340 WeakPolarHBondContact O-CB 3.39Å; F337-M340 PolarHBondContact O-N 3.42Å; R338-M340 PolarHBondContact O-N 3.42Å; M340-Y342 HydrophobicContact CB-CD2 3.67Å; M340-Y342 HydrophobicContact CB-CE2 3.88Å; M340-Y342 HydrophobicContact SD-CD2 4.2Å; M340-Y342 HydrophobicContact SD-CE2 3.97Å
341	G	95	Very high	96	Very high	20 Å²	20	5.4 Å²	5.4	21%	0.206	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	29.1	-173.5	0	0	0	0	0	113.5	R338 D339 E401	R338-G341 WeakPolarHBondContact O-CA 3.27Å; R338-G341 PolarHBondContact O-N 3.05Å; D339-G341 PolarHBondContact O-N 2.79Å; G341-E401 CarbonylContact C-O 2.94Å; G341-E401 WeakPolarHBondContact CA-O 3.49Å
342	Y	96.5	Very high	95.7	Very high	30 Å²	30	5.5 Å²	5.5	12%	0.118	3%	0.032	C	C	.	.			trans	-95	153.2	170.7	-69.2	-59.9	0	0	0	110.8	I162 K163 D270 V271 F337 M340 S403	I162-Y342 HydrophobicContact CG2-CE2 4.31Å; K163-Y342 PolarHBondContact N-OH 3.02Å; K163-Y342 PolarHBondContact O-OH 3.12Å; D270-Y342 HydrophobicContact CB-CD1 3.75Å; D270-Y342 HydrophobicContact CB-CG 4.24Å; V271-Y342 HydrophobicContact CG2-CD2 4.46Å; V271-Y342 HydrophobicContact CG2-CG 4.34Å; F337-Y342 PolarHBondContact O-N 2.91Å; M340-Y342 HydrophobicContact CB-CD2 3.67Å; M340-Y342 HydrophobicContact CB-CE2 3.88Å; M340-Y342 HydrophobicContact SD-CD2 4.2Å; M340-Y342 HydrophobicContact SD-CE2 3.97Å; Y342-S403 PolarHBondContact O-N 3.48Å
343	N	97.1	Very high	95.5	Very high	41 Å²	41	8.5 Å²	8.5	22%	0.219	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	107.9	168.5	-65.7	-53	0	0	0	109	S269 D270 V271 S403	S269-N343 CarbonylContact C-O 3.53Å; D270-N343 PolarHBondContact N-O 3.34Å; D270-N343 PolarHBondContact OD2-N 2.83Å; V271-N343 PolarHBondContact N-O 3.28Å; N343-S403 WeakPolarHBondContact OD1-CB 3.31Å; N343-S403 PolarHBondContact OD1-OG 2.87Å
344	V	97.5	Very high	95.4	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	135.2	-174.7	-169.5	0	0	0	0	109.8	V271 V273 F337 R338 S403 V404 S405	V271-V344 HydrophobicContact CB-CG1 4.31Å; V271-V344 HydrophobicContact CB-CG2 4.27Å; V271-V344 HydrophobicContact CG1-CG1 4.25Å; V271-V344 WeakPolarHBondContact O-CA 3.5Å; V273-V344 HydrophobicContact CG2-CG1 4.07Å; F337-V344 HydrophobicContact CB-CG2 3.57Å; R338-V344 HydrophobicContact CB-CG2 4.38Å; V344-S403 PolarHBondContact N-O 2.97Å; V344-V404 HydrophobicContact CB-CG2 4.33Å; V344-V404 CarbonylContact O-C 3.38Å; V344-V404 WeakPolarHBondContact O-CA 3.27Å; V344-S405 PolarHBondContact O-N 2.6Å
345	S	97	Very high	95.3	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	118.9	168.9	-176.4	0	0	0	0	110.2	L263 S269 V271 I272 V273	L263-S345 WeakPolarHBondContact CD2-OG 3.34Å; S269-S345 WeakPolarHBondContact OG-CB 3.2Å; V271-S345 PolarHBondContact O-N 3.48Å; I272-S345 WeakPolarHBondContact CA-O 3.34Å; V273-S345 PolarHBondContact N-O 3.47Å
346	M	96.8	Very high	95	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	128.7	174.5	-173.4	-169.4	172.6	0	0	110.2	V273 V275 I331 A348 F385 S405 I406 V407	V273-M346 CarbonylContact O-C 3.47Å; V273-M346 VanDerWaalsContact O-CA 3.3Å; V273-M346 WeakPolarHBondContact O-CA 3.45Å; V275-M346 HydrophobicContact CB-CE 4.29Å; V275-M346 HydrophobicContact CG2-CE 3.57Å; I331-M346 HydrophobicContact CB-CE 4.23Å; I331-M346 HydrophobicContact CB-SD 3.81Å; I331-M346 HydrophobicContact CD1-SD 3.67Å; I331-M346 HydrophobicContact CG1-SD 4.33Å; M346-A348 HydrophobicContact CE-CB 4.42Å; M346-F385 HydrophobicContact CE-CE2 3.74Å; M346-F385 HydrophobicContact CE-CZ 3.87Å; M346-F385 HydrophobicContact SD-CE2 3.92Å; M346-F385 HydrophobicContact SD-CZ 4Å; M346-S405 PolarHBondContact N-O 2.83Å; M346-I406 HydrophobicContact CB-CG1 4.38Å; M346-I406 HydrophobicContact SD-CG1 4.45Å; M346-V407 PolarHBondContact O-N 3.37Å
347	M	95.1	Very high	94.8	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.005	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	124.6	171.1	-66.7	156.6	-174.6	0	0	109.3	S260 L263 S264 I272 V273 Y274 V275 V407	S260-M347 WeakPolarHBondContact O-CE 3.42Å; S260-M347 VanDerWaalsContact O-SD 3.36Å; L263-M347 HydrophobicContact CB-CE 3.75Å; L263-M347 HydrophobicContact CD2-CE 3.18Å; L263-M347 HydrophobicContact CG-CE 4.04Å; S264-M347 VanDerWaalsContact N-CE 3.34Å; I272-M347 HydrophobicContact CG2-CE 4.28Å; I272-M347 HydrophobicContact CG2-SD 4.16Å; V273-M347 PolarHBondContact O-N 3.19Å; Y274-M347 HydrophobicContact CD2-CB 3.74Å; Y274-M347 HydrophobicContact CD2-CG 4.44Å; Y274-M347 HydrophobicContact CD2-SD 3.82Å; Y274-M347 HydrophobicContact CE2-CB 4.3Å; V275-M347 PolarHBondContact N-O 3.28Å; M347-V407 WeakPolarHBondContact CA-O 3.47Å
348	A	94.6	Very high	94.5	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.008	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	101.2	175.1	0	0	0	0	0	109.4	I327 M346 T351 F385 V407 A409	I327-A348 HydrophobicContact CD1-CB 4.01Å; M346-A348 HydrophobicContact CE-CB 4.42Å; A348-T351 HydrophobicContact CB-CG2 3.92Å; A348-F385 HydrophobicContact CB-CZ 4.22Å; A348-V407 PolarHBondContact N-O 3.23Å; A348-A409 PolarHBondContact O-N 3.09Å
349	D	92.4	Very high	94.4	Very high	2 Å²	2	15 Å²	15	1%	0.011	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	99.2	178	-160.3	7	0	0	0	108.9	T257 Y274 V275 G276 C277 E279 A409	T257-D349 PolarHBondContact OG1-OD2 3.41Å; Y274-D349 HydrophobicContact CE2-CB 4.47Å; V275-D349 PolarHBondContact O-N 2.8Å; G276-D349 CarbonylContact C-O 3.54Å; G276-D349 WeakPolarHBondContact CA-O 3.37Å; C277-D349 PolarHBondContact N-O 3.09Å; E279-D349 WeakPolarHBondContact CG-O 3.44Å; E279-D349 VanDerWaalsContact OE1-C 3.24Å; D349-A409 HydrophobicContact CB-CB 4.3Å; D349-A409 WeakPolarHBondContact OD1-CB 3.39Å
350	S	90.8	Very high	94.1	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.007	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	cis	-130.2	144.4	6	52.6	0	0	0	0	113.4	C277 E279 S352 R353 A409	C277-S350 PolarHBondContact O-N 3.46Å; E279-S350 WeakPolarHBondContact OE1-CB 3.21Å; E279-S350 PolarHBondContact OE1-N 2.95Å; E279-S350 PolarHBondContact OE1-OG 3.08Å; S350-S352 VanDerWaalsContact C-N 3.28Å; S350-S352 PolarHBondContact O-N 3.27Å; S350-R353 PolarHBondContact O-N 3.38Å; S350-R353 WeakPolarHBondContact OG-CG 3.44Å; S350-A409 WeakPolarHBondContact CA-O 3.01Å; S350-A409 WeakPolarHBondContact CB-O 3.38Å
351	T	93.8	Very high	93.7	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-72.5	-22.4	179.6	58.4	0	0	0	0	112.4	A348 W354 A355 A409	A348-T351 HydrophobicContact CB-CG2 3.92Å; T351-W354 WeakPolarHBondContact O-CB 3.3Å; T351-W354 PolarHBondContact O-N 2.92Å; T351-A355 PolarHBondContact O-N 2.85Å; T351-A409 PolarHBondContact N-O 3.38Å; T351-A409 PolarHBondContact OG1-O 2.96Å
352	S	92.7	Very high	93.4	Very high	3 Å²	3	18.1 Å²	18.1	2%	0.021	8%	0.08	C	C	.	.	H	α-helix	trans	-66.1	-39.1	172.9	-60.7	0	0	0	0	112.7	S350 W354 A355 E356 V410 S411	S350-S352 VanDerWaalsContact C-N 3.28Å; S350-S352 PolarHBondContact O-N 3.27Å; S352-W354 VanDerWaalsContact C-N 3.26Å; S352-W354 PolarHBondContact O-N 2.66Å; S352-A355 PolarHBondContact O-N 2.95Å; S352-E356 WeakPolarHBondContact O-CG 3.48Å; S352-E356 PolarHBondContact O-N 2.97Å; S352-V410 VanDerWaalsContact OG-CG1 3.32Å; S352-V410 WeakPolarHBondContact OG-CG1 3.31Å; S352-S411 PolarHBondContact OG-N 3.21Å
353	R	92.6	Very high	93.1	Very high	62 Å²	62	19.2 Å²	19.2	23%	0.234	10%	0.1	C	C	.	.	H	α-helix	trans	-68.4	-29.8	176.5	-64.2	-69.5	135.1	-166	-12.1	111.7	C277 S350 E356 A357	C277-R353 VanDerWaalsContact O-CB 3.26Å; C277-R353 WeakPolarHBondContact O-CB 3.37Å; S350-R353 PolarHBondContact O-N 3.38Å; S350-R353 WeakPolarHBondContact OG-CG 3.44Å; R353-E356 WeakPolarHBondContact CD-OE2 3.47Å; R353-E356 VanDerWaalsContact CZ-CD 3.45Å; R353-E356 IonicContact CZ-OE1 2.88Å; R353-E356 IonicContact CZ-OE2 2.7Å; R353-E356 IonicContact NE-OE1 3.64Å; R353-E356 IonicContact NE-OE2 2.98Å; R353-E356 VanDerWaalsContact NH1-CD 3.28Å; R353-E356 IonicContact NH1-OE1 2.9Å; R353-E356 PolarHBondContact NH1-OE1 3.42Å; R353-E356 VanDerWaalsContact NH1-OE1 3.11Å; R353-E356 IonicContact NH1-OE2 2.74Å; R353-E356 PolarHBondContact NH1-OE2 3.13Å; R353-E356 IonicContact NH2-OE1 3.69Å; R353-E356 PolarHBondContact NH2-OE1 3.47Å; R353-E356 IonicContact NH2-OE2 3.86Å; R353-A357 WeakPolarHBondContact O-CB 3.42Å; R353-A357 PolarHBondContact O-N 3.25Å
354	W	95	Very high	92.6	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-67	-45.2	169.6	174.7	41	0	0	0	111.8	I327 Y328 T351 S352 E356 A357 L358 R381 L382 F385	I327-W354 HydrophobicContact CG1-CB 4.24Å; I327-W354 HydrophobicContact CG1-CD2 4.25Å; I327-W354 HydrophobicContact CG1-CG 4.12Å; I327-W354 HydrophobicContact CG2-CE3 4.34Å; I327-W354 HydrophobicContact CG2-CZ3 4.36Å; Y328-W354 HydrophobicContact CE2-CZ2 4.41Å; T351-W354 WeakPolarHBondContact O-CB 3.3Å; T351-W354 PolarHBondContact O-N 2.92Å; S352-W354 VanDerWaalsContact C-N 3.26Å; S352-W354 PolarHBondContact O-N 2.66Å; W354-E356 VanDerWaalsContact C-N 3.33Å; W354-E356 PolarHBondContact O-N 2.98Å; W354-A357 WeakPolarHBondContact O-CA 3.15Å; W354-A357 VanDerWaalsContact O-CB 3.3Å; W354-A357 WeakPolarHBondContact O-CB 3.36Å; W354-A357 PolarHBondContact O-N 3.19Å; W354-A357 VanDerWaalsContact O-N 3.08Å; W354-L358 HydrophobicContact CZ2-CD1 4.2Å; W354-L358 PolarHBondContact O-N 3.29Å; W354-R381 HydrophobicContact CH2-CB 4.12Å; W354-R381 HydrophobicContact CZ2-CB 4.17Å; W354-L382 HydrophobicContact CE3-CD2 4.02Å; W354-L382 HydrophobicContact CZ3-CD2 3.66Å; W354-F385 HydrophobicContact CH2-CB 4.01Å; W354-F385 HydrophobicContact CH2-CG 4.5Å; W354-F385 HydrophobicContact CZ3-CB 4.12Å; W354-F385 HydrophobicContact CZ3-CD1 4.34Å; W354-F385 HydrophobicContact CZ3-CG 4.23Å
355	A	94.3	Very high	91.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62	-39.4	175.3	0	0	0	0	0	112.7	T351 S352 A357 L358 R359 Y374 L378 V421	T351-A355 PolarHBondContact O-N 2.85Å; S352-A355 PolarHBondContact O-N 2.95Å; A355-A357 VanDerWaalsContact C-N 3.3Å; A355-A357 PolarHBondContact O-N 3.36Å; A355-L358 PolarHBondContact O-N 3.13Å; A355-R359 PolarHBondContact O-N 3.18Å; A355-Y374 HydrophobicContact CB-CD1 4.42Å; A355-Y374 HydrophobicContact CB-CE1 3.93Å; A355-L378 HydrophobicContact CB-CD1 3.74Å; A355-V421 HydrophobicContact CB-CB 4.41Å; A355-V421 HydrophobicContact CB-CG1 3.98Å; A355-V421 HydrophobicContact CB-CG2 3.49Å; A355-V421 VanDerWaalsContact CB-CG2 3.49Å
356	E	92.6	Very high	91.5	Very high	44 Å²	44	29 Å²	29	21%	0.206	16%	0.155	C	C	.	.	H	α-helix	trans	-61.6	-38.3	171.8	-73.5	176.7	-179	0	0	111.9	S352 R353 W354 R359 E360	S352-E356 WeakPolarHBondContact O-CG 3.48Å; S352-E356 PolarHBondContact O-N 2.97Å; R353-E356 WeakPolarHBondContact CD-OE2 3.47Å; R353-E356 VanDerWaalsContact CZ-CD 3.45Å; R353-E356 IonicContact CZ-OE1 2.88Å; R353-E356 IonicContact CZ-OE2 2.7Å; R353-E356 IonicContact NE-OE1 3.64Å; R353-E356 IonicContact NE-OE2 2.98Å; R353-E356 VanDerWaalsContact NH1-CD 3.28Å; R353-E356 IonicContact NH1-OE1 2.9Å; R353-E356 PolarHBondContact NH1-OE1 3.42Å; R353-E356 VanDerWaalsContact NH1-OE1 3.11Å; R353-E356 IonicContact NH1-OE2 2.74Å; R353-E356 PolarHBondContact NH1-OE2 3.13Å; R353-E356 IonicContact NH2-OE1 3.69Å; R353-E356 PolarHBondContact NH2-OE1 3.47Å; R353-E356 IonicContact NH2-OE2 3.86Å; W354-E356 VanDerWaalsContact C-N 3.33Å; W354-E356 PolarHBondContact O-N 2.98Å; E356-R359 WeakPolarHBondContact O-CB 3.43Å; E356-R359 PolarHBondContact O-N 3.01Å; E356-E360 PolarHBondContact O-N 3.01Å
357	A	91.6	Very high	91.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63	-45.1	175.3	0	0	0	0	0	111.4	V320 R323 R353 W354 A355 R359 E360 I361	V320-A357 VanDerWaalsContact CG1-CA 3.46Å; 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 3.42Å; R353-A357 PolarHBondContact O-N 3.25Å; W354-A357 WeakPolarHBondContact O-CA 3.15Å; W354-A357 VanDerWaalsContact O-CB 3.3Å; W354-A357 WeakPolarHBondContact O-CB 3.36Å; W354-A357 PolarHBondContact O-N 3.19Å; W354-A357 VanDerWaalsContact O-N 3.08Å; A355-A357 VanDerWaalsContact C-N 3.3Å; A355-A357 PolarHBondContact O-N 3.36Å; A357-R359 VanDerWaalsContact C-N 3.3Å; A357-R359 PolarHBondContact O-N 2.95Å; A357-E360 PolarHBondContact O-N 3.46Å; A357-I361 WeakPolarHBondContact O-CD1 3.38Å; A357-I361 WeakPolarHBondContact O-CG1 3.48Å; A357-I361 PolarHBondContact O-N 3.3Å
358	L	92.1	Very high	91	Very high	4 Å²	4	41 Å²	41	2%	0.021	21%	0.213	C	C	.	.	H	α-helix	trans	-59.9	-40.3	174.9	-66.9	176.7	0	0	0	112	E324 W354 A355 I361 S362 P375 L378 R381	E324-L358 HydrophobicContact CG-CD2 4.42Å; W354-L358 HydrophobicContact CZ2-CD1 4.2Å; W354-L358 PolarHBondContact O-N 3.29Å; A355-L358 PolarHBondContact O-N 3.13Å; L358-I361 PolarHBondContact O-N 3.41Å; L358-S362 WeakPolarHBondContact O-CB 3.38Å; L358-S362 PolarHBondContact O-N 3.15Å; L358-S362 PolarHBondContact O-OG 2.85Å; L358-P375 HydrophobicContact CB-CG 4.23Å; L358-L378 HydrophobicContact CD1-CD1 4.15Å; L358-R381 HydrophobicContact CD1-CB 4.21Å; L358-R381 HydrophobicContact CD1-CG 4.26Å
359	R	92.8	Very high	91	Very high	97 Å²	97	45.1 Å²	45.1	37%	0.366	24%	0.24	S	C	.	.	H	α-helix	trans	-61.8	-41.8	174.6	175.2	172.4	77.1	179.6	0.8	112.7	A355 E356 A357 S362 G363 S372 G373 Y374	A355-R359 PolarHBondContact O-N 3.18Å; E356-R359 WeakPolarHBondContact O-CB 3.43Å; E356-R359 PolarHBondContact O-N 3.01Å; A357-R359 VanDerWaalsContact C-N 3.3Å; A357-R359 PolarHBondContact O-N 2.95Å; R359-S362 PolarHBondContact O-OG 3.31Å; R359-G363 PolarHBondContact O-N 2.68Å; R359-S372 PolarHBondContact NH1-O 2.98Å; R359-G373 VanDerWaalsContact CG-O 3.29Å; R359-G373 WeakPolarHBondContact CG-O 3.36Å; R359-Y374 HydrophobicContact CB-CD1 3.85Å; R359-Y374 HydrophobicContact CB-CE1 4.23Å
360	E	89.8	Confident	91	Very high	78 Å²	78	47.4 Å²	47.4	36%	0.364	26%	0.259	S	S	.	.	H	α-helix	trans	-67.3	-43	178.1	-173.7	175.3	163.6	0	0	111.3	V320 E356 A357 G363 R364	V320-E360 HydrophobicContact CG1-CB 4.23Å; V320-E360 WeakPolarHBondContact CG2-OE2 3.43Å; E356-E360 PolarHBondContact O-N 3.01Å; A357-E360 PolarHBondContact O-N 3.46Å; E360-G363 PolarHBondContact O-N 2.83Å; E360-R364 VanDerWaalsContact O-CG 3.31Å; E360-R364 WeakPolarHBondContact O-CG 3.49Å; E360-R364 PolarHBondContact O-N 3.19Å
361	I	86.9	Confident	90.9	Very high	14 Å²	14	53.2 Å²	53.2	7%	0.072	29%	0.29	C	S	.	.	H	α-helix	trans	-61.5	-48.2	177.6	-63.7	157.3	0	0	0	110.5	A357 L358 G363 R364 L365	A357-I361 WeakPolarHBondContact O-CD1 3.38Å; A357-I361 WeakPolarHBondContact O-CG1 3.48Å; A357-I361 PolarHBondContact O-N 3.3Å; L358-I361 PolarHBondContact O-N 3.41Å; I361-G363 VanDerWaalsContact C-N 3.31Å; I361-G363 PolarHBondContact O-N 2.92Å; I361-R364 PolarHBondContact O-N 3.39Å; I361-L365 HydrophobicContact CG2-CD1 4.18Å; I361-L365 WeakPolarHBondContact O-CG 3.5Å; I361-L365 PolarHBondContact O-N 2.76Å; I361-L365 VanDerWaalsContact O-N 3.08Å
362	S	90.2	Very high	90.6	Very high	3 Å²	3	57.1 Å²	57.1	2%	0.021	32%	0.318	C	S	.	.	H	α-helix	trans	-62.3	-38.9	178.6	72.2	0	0	0	0	112.2	L358 R359 R364 L365 A366 E367	L358-S362 WeakPolarHBondContact O-CB 3.38Å; L358-S362 PolarHBondContact O-N 3.15Å; L358-S362 PolarHBondContact O-OG 2.85Å; R359-S362 PolarHBondContact O-OG 3.31Å; S362-R364 PolarHBondContact O-N 3.15Å; S362-L365 PolarHBondContact O-N 2.84Å; S362-A366 PolarHBondContact O-N 3.21Å; S362-E367 VanDerWaalsContact CB-OE2 3.22Å; S362-E367 WeakPolarHBondContact CB-OE2 3.48Å; S362-E367 PolarHBondContact O-N 3.2Å
363	G	89.7	Confident	90.5	Very high	53 Å²	53	58.4 Å²	58.4	55%	0.546	33%	0.331	S	S	.	.	H	α-helix	trans	-63.2	-38.6	175.8	0	0	0	0	0	112.9	R359 E360 I361 L365 A366	R359-G363 PolarHBondContact O-N 2.68Å; E360-G363 PolarHBondContact O-N 2.83Å; I361-G363 VanDerWaalsContact C-N 3.31Å; I361-G363 PolarHBondContact O-N 2.92Å; G363-L365 VanDerWaalsContact C-N 3.32Å; G363-A366 PolarHBondContact O-N 3.19Å
364	R	85.6	Confident	90.6	Very high	131 Å²	131	56.1 Å²	56.1	49%	0.494	32%	0.323	S	S	.	.	H	α-helix	trans	-69.2	-31.1	175.5	-67	-70.9	-178.9	-178.7	-1	112.7	V28 E360 I361 S362 A366	V28-R364 HydrophobicContact CG2-CB 3.87Å; E360-R364 VanDerWaalsContact O-CG 3.31Å; E360-R364 WeakPolarHBondContact O-CG 3.49Å; E360-R364 PolarHBondContact O-N 3.19Å; I361-R364 PolarHBondContact O-N 3.39Å; S362-R364 PolarHBondContact O-N 3.15Å; R364-A366 PolarHBondContact O-N 2.78Å
365	L	84.4	Confident	90.5	Very high	24 Å²	24	56.3 Å²	56.3	13%	0.126	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-5.3	174.7	-71	174.1	0	0	0	114	I55 T63 I361 S362 G363 E367	I55-L365 HydrophobicContact CD1-CD1 3.89Å; I55-L365 HydrophobicContact CD1-CD2 3.63Å; I55-L365 HydrophobicContact CD1-CG 4.11Å; T63-L365 HydrophobicContact CG2-CD2 4.03Å; I361-L365 HydrophobicContact CG2-CD1 4.18Å; I361-L365 WeakPolarHBondContact O-CG 3.5Å; I361-L365 PolarHBondContact O-N 2.76Å; I361-L365 VanDerWaalsContact O-N 3.08Å; S362-L365 PolarHBondContact O-N 2.84Å; G363-L365 VanDerWaalsContact C-N 3.32Å; L365-E367 HydrophobicContact CB-CG 3.91Å; L365-E367 PolarHBondContact O-N 3.25Å
366	A	87.5	Confident	90.5	Very high	90 Å²	90	60.5 Å²	60.5	74%	0.744	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	34.6	-172.6	0	0	0	0	0	112.9	S362 G363 R364	S362-A366 PolarHBondContact O-N 3.21Å; G363-A366 PolarHBondContact O-N 3.19Å; R364-A366 PolarHBondContact O-N 2.78Å
367	E	89.6	Confident	90.5	Very high	77 Å²	77	61.7 Å²	61.7	36%	0.36	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-70.9	146.8	170.6	-66.5	-179.6	156.5	0	0	110	S362 L365 P369 Y377	S362-E367 VanDerWaalsContact CB-OE2 3.22Å; S362-E367 WeakPolarHBondContact CB-OE2 3.48Å; S362-E367 PolarHBondContact O-N 3.2Å; L365-E367 HydrophobicContact CB-CG 3.91Å; L365-E367 PolarHBondContact O-N 3.25Å; E367-P369 WeakPolarHBondContact O-CD 3.42Å; E367-Y377 VanDerWaalsContact OE2-CE1 3.23Å; E367-Y377 WeakPolarHBondContact OE2-CE1 3.29Å; E367-Y377 PolarHBondContact OE2-OH 2.77Å
368	M	92.6	Very high	90.6	Very high	176 Å²	176	62.1 Å²	62.1	87%	0.867	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-66.6	122.5	176.3	-65.9	-173.5	-134.9	0	0	109.6
369	P	94.4	Very high	90.7	Very high	88 Å²	88	63.5 Å²	63.5	57%	0.571	38%	0.379	S	S	*	.	B	Isolated β-bridge	trans	-71.7	150.1	176	29.4	-33.3	0	0	0	110.8	E367	E367-P369 WeakPolarHBondContact O-CD 3.42Å
370	A	91.6	Very high	90.8	Very high	51 Å²	51	62 Å²	62	42%	0.421	39%	0.388	S	S	.	.			trans	-94	-138.2	164.5	0	0	0	0	0	109.1	Y374	A370-Y374 PolarHBondContact N-O 2.8Å
371	D	88.9	Confident	91	Very high	122 Å²	122	61.1 Å²	61.1	65%	0.652	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-64.6	137.5	-177.3	-59.9	-37.5	0	0	0	112.6	G373 Y374 P420	D371-G373 PolarHBondContact O-N 3.34Å; D371-Y374 WeakPolarHBondContact O-CD2 3.45Å; D371-Y374 PolarHBondContact O-N 3.02Å; D371-P420 HydrophobicContact CB-CG 4.01Å
372	S	86.8	Confident	91.4	Very high	83 Å²	83	60.5 Å²	60.5	58%	0.58	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	51	25.1	176.7	-53.2	0	0	0	0	115.2	R359	R359-S372 PolarHBondContact NH1-O 2.98Å
373	G	91.6	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	87.9	-5.7	179.4	0	0	0	0	0	115.1	R359 D371	R359-G373 VanDerWaalsContact CG-O 3.29Å; R359-G373 WeakPolarHBondContact CG-O 3.36Å; D371-G373 PolarHBondContact O-N 3.34Å
374	Y	94.6	Very high	92	Very high	13 Å²	13	61.8 Å²	61.8	5%	0.051	38%	0.38	C	S	.	.			trans	-71.4	153.7	-179.2	-67.4	-74.2	0	0	0	112.2	A355 R359 A370 D371 L378 P420 V421	A355-Y374 HydrophobicContact CB-CD1 4.42Å; A355-Y374 HydrophobicContact CB-CE1 3.93Å; R359-Y374 HydrophobicContact CB-CD1 3.85Å; R359-Y374 HydrophobicContact CB-CE1 4.23Å; A370-Y374 PolarHBondContact N-O 2.8Å; D371-Y374 WeakPolarHBondContact O-CD2 3.45Å; D371-Y374 PolarHBondContact O-N 3.02Å; Y374-L378 HydrophobicContact CD1-CD2 3.93Å; 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 3.98Å; Y374-P420 HydrophobicContact CE2-CB 4.12Å; Y374-P420 HydrophobicContact CE2-CG 4.12Å; Y374-V421 HydrophobicContact CE1-CG2 3.89Å; Y374-V421 HydrophobicContact CE2-CG2 4.05Å; Y374-V421 WeakPolarHBondContact OH-CG2 3.23Å
375	P	93.8	Very high	92.5	Very high	4 Å²	4	55.6 Å²	55.6	3%	0.026	36%	0.357	C	S	.	.	B	Isolated β-bridge	trans	-70.2	151.9	175.6	27.5	-33.6	0	0	0	112	L358 Y377 L378	L358-P375 HydrophobicContact CB-CG 4.23Å; P375-Y377 HydrophobicContact CB-CD1 3.96Å; P375-Y377 HydrophobicContact CB-CD2 4.1Å; P375-Y377 HydrophobicContact CB-CE1 3.56Å; P375-Y377 HydrophobicContact CB-CE2 3.7Å; P375-Y377 HydrophobicContact CB-CG 4.22Å; P375-Y377 VanDerWaalsContact CB-CZ 3.41Å; P375-Y377 HydrophobicContact CG-CD2 4.02Å; P375-Y377 HydrophobicContact CG-CE1 4.35Å; P375-Y377 HydrophobicContact CG-CE2 3.54Å; P375-Y377 PolarHBondContact O-N 3.38Å; P375-Y377 VanDerWaalsContact O-N 3.12Å; P375-L378 WeakPolarHBondContact O-CB 3.46Å; P375-L378 PolarHBondContact O-N 3.04Å; P375-L378 VanDerWaalsContact O-N 3.09Å
376	A	93.1	Very high	93.1	Very high	89 Å²	89	54.5 Å²	54.5	74%	0.736	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-25.6	178.3	0	0	0	0	0	113.8	L378	A376-L378 VanDerWaalsContact C-N 3.34Å; A376-L378 PolarHBondContact O-N 3.03Å
377	Y	93.1	Very high	93.5	Very high	69 Å²	69	55.5 Å²	55.5	27%	0.271	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	5.9	179.1	54.6	-103.4	0	0	0	114.7	E367 P375 G379 A380 R381	E367-Y377 VanDerWaalsContact OE2-CE1 3.23Å; E367-Y377 WeakPolarHBondContact OE2-CE1 3.29Å; E367-Y377 PolarHBondContact OE2-OH 2.77Å; P375-Y377 HydrophobicContact CB-CD1 3.96Å; P375-Y377 HydrophobicContact CB-CD2 4.1Å; P375-Y377 HydrophobicContact CB-CE1 3.56Å; P375-Y377 HydrophobicContact CB-CE2 3.7Å; P375-Y377 HydrophobicContact CB-CG 4.22Å; P375-Y377 VanDerWaalsContact CB-CZ 3.41Å; P375-Y377 HydrophobicContact CG-CD2 4.02Å; P375-Y377 HydrophobicContact CG-CE1 4.35Å; P375-Y377 HydrophobicContact CG-CE2 3.54Å; P375-Y377 PolarHBondContact O-N 3.38Å; P375-Y377 VanDerWaalsContact O-N 3.12Å; Y377-G379 PolarHBondContact O-N 3.31Å; Y377-A380 PolarHBondContact O-N 3.26Å; Y377-R381 HydrophobicContact CD2-CG 3.84Å; Y377-R381 WeakPolarHBondContact O-CG 3.36Å; Y377-R381 PolarHBondContact O-N 2.91Å
378	L	94.2	Very high	93.8	Very high	9 Å²	9	52.3 Å²	52.3	5%	0.047	33%	0.325	C	S	.	.	H	α-helix	trans	-55	-48.8	-179.7	176.8	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 4.15Å; Y374-L378 HydrophobicContact CD1-CD2 3.93Å; Y374-L378 HydrophobicContact CD2-CD2 4.32Å; Y374-L378 HydrophobicContact CG-CD2 3.79Å; P375-L378 WeakPolarHBondContact O-CB 3.46Å; P375-L378 PolarHBondContact O-N 3.04Å; P375-L378 VanDerWaalsContact O-N 3.09Å; A376-L378 VanDerWaalsContact C-N 3.34Å; A376-L378 PolarHBondContact O-N 3.03Å; L378-A380 VanDerWaalsContact C-N 3.33Å; L378-A380 PolarHBondContact O-N 3.01Å; L378-R381 PolarHBondContact O-N 3.5Å; L378-L382 HydrophobicContact CD1-CD1 4.25Å; L378-L382 HydrophobicContact CD1-CG 4.33Å; L378-L382 HydrophobicContact CG-CD1 4.21Å; L378-L382 WeakPolarHBondContact O-CG 3.46Å; L378-L382 PolarHBondContact O-N 3.17Å; L378-V421 HydrophobicContact CD2-CG2 4.27Å
379	G	94.4	Very high	93.9	Very high	33 Å²	33	44.3 Å²	44.3	34%	0.34	29%	0.287	S	S	.	.	H	α-helix	trans	-61.3	-40.7	179.5	0	0	0	0	0	112.7	Y377 L382 A383	Y377-G379 PolarHBondContact O-N 3.31Å; G379-L382 PolarHBondContact O-N 3.4Å; G379-A383 VanDerWaalsContact O-CB 3.31Å; G379-A383 WeakPolarHBondContact O-CB 3.37Å; G379-A383 PolarHBondContact O-N 2.96Å
380	A	94.5	Very high	94	Very high	66 Å²	66	40.7 Å²	40.7	55%	0.545	27%	0.266	S	S	.	.	H	α-helix	trans	-65.3	-39.5	177.4	0	0	0	0	0	112.2	Y377 L378 A383 S384	Y377-A380 PolarHBondContact O-N 3.26Å; L378-A380 VanDerWaalsContact C-N 3.33Å; L378-A380 PolarHBondContact O-N 3.01Å; A380-A383 PolarHBondContact O-N 2.85Å; A380-S384 WeakPolarHBondContact O-CB 3.32Å; A380-S384 PolarHBondContact O-N 3.15Å; A380-S384 PolarHBondContact O-OG 3.27Å
381	R	93.9	Very high	94.3	Very high	59 Å²	59	40.8 Å²	40.8	22%	0.223	26%	0.255	C	S	.	.	H	α-helix	trans	-64.6	-48.7	176.4	-69.3	-65.8	-173.4	-173.9	-1.5	111.5	Y40 Y328 W354 L358 Y377 L378 A383 S384 F385	Y40-R381 PolarHBondContact OH-NH2 2.92Å; Y328-R381 WeakPolarHBondContact OH-CD 3.32Å; W354-R381 HydrophobicContact CH2-CB 4.12Å; W354-R381 HydrophobicContact CZ2-CB 4.17Å; L358-R381 HydrophobicContact CD1-CB 4.21Å; L358-R381 HydrophobicContact CD1-CG 4.26Å; Y377-R381 HydrophobicContact CD2-CG 3.84Å; Y377-R381 WeakPolarHBondContact O-CG 3.36Å; Y377-R381 PolarHBondContact O-N 2.91Å; L378-R381 PolarHBondContact O-N 3.5Å; R381-A383 VanDerWaalsContact C-N 3.33Å; R381-A383 PolarHBondContact O-N 2.69Å; R381-S384 PolarHBondContact O-N 3.43Å; R381-S384 PolarHBondContact O-OG 2.98Å; R381-F385 PolarHBondContact O-N 2.86Å; R381-F385 VanDerWaalsContact O-N 3.09Å
382	L	95.5	Very high	94.7	Very high	0 Å²	0	35 Å²	35	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-59.5	-44.3	176	-67.5	174.8	0	0	0	111.3	W354 L378 G379 F385 Y386 V421 A424 I428	W354-L382 HydrophobicContact CE3-CD2 4.02Å; W354-L382 HydrophobicContact CZ3-CD2 3.66Å; L378-L382 HydrophobicContact CD1-CD1 4.25Å; L378-L382 HydrophobicContact CD1-CG 4.33Å; L378-L382 HydrophobicContact CG-CD1 4.21Å; L378-L382 WeakPolarHBondContact O-CG 3.46Å; L378-L382 PolarHBondContact O-N 3.17Å; G379-L382 PolarHBondContact O-N 3.4Å; L382-F385 PolarHBondContact O-N 2.96Å; L382-Y386 VanDerWaalsContact O-CD2 3.3Å; L382-Y386 WeakPolarHBondContact O-CD2 3.3Å; L382-Y386 PolarHBondContact O-N 3.49Å; L382-V421 HydrophobicContact CD1-CG1 4.48Å; L382-A424 HydrophobicContact CD1-CB 3.68Å; L382-I428 HydrophobicContact CB-CD1 3.62Å
383	A	95.7	Very high	95.2	Very high	32 Å²	32	33.2 Å²	33.2	26%	0.264	21%	0.206	S	C	.	.	H	α-helix	trans	-62.2	-47.7	178.7	0	0	0	0	0	111.5	G379 A380 R381 F385 Y386 E387 I428	G379-A383 VanDerWaalsContact O-CB 3.31Å; G379-A383 WeakPolarHBondContact O-CB 3.37Å; G379-A383 PolarHBondContact O-N 2.96Å; A380-A383 PolarHBondContact O-N 2.85Å; R381-A383 VanDerWaalsContact C-N 3.33Å; R381-A383 PolarHBondContact O-N 2.69Å; A383-F385 PolarHBondContact O-N 3.34Å; A383-Y386 PolarHBondContact O-N 2.87Å; A383-E387 VanDerWaalsContact O-CB 3.25Å; A383-E387 WeakPolarHBondContact O-CB 3.31Å; A383-E387 VanDerWaalsContact O-CG 3.31Å; A383-E387 WeakPolarHBondContact O-CG 3.26Å; A383-E387 PolarHBondContact O-N 2.77Å; A383-I428 HydrophobicContact CB-CD1 3.98Å; A383-I428 HydrophobicContact CB-CG1 4.25Å
384	S	95.5	Very high	95.3	Very high	51 Å²	51	31.9 Å²	31.9	36%	0.357	19%	0.192	S	C	.	.	H	α-helix	trans	-60.4	-27.7	177.8	73.8	0	0	0	0	113.4	A380 R381 R388	A380-S384 WeakPolarHBondContact O-CB 3.32Å; A380-S384 PolarHBondContact O-N 3.15Å; A380-S384 PolarHBondContact O-OG 3.27Å; R381-S384 PolarHBondContact O-N 3.43Å; R381-S384 PolarHBondContact O-OG 2.98Å; S384-R388 WeakPolarHBondContact O-CD 3.28Å; S384-R388 WeakPolarHBondContact O-CG 3.36Å
385	F	96.6	Very high	95.3	Very high	1 Å²	1	33.5 Å²	33.5	0%	0.004	20%	0.201	C	C	.	.	H	α-helix	trans	-78.6	-53.9	176.3	167.9	-107	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 3.4Å; I327-F385 VanDerWaalsContact CG2-CE2 3.4Å; I327-F385 HydrophobicContact CG2-CG 4.2Å; I327-F385 HydrophobicContact CG2-CZ 3.99Å; I331-F385 HydrophobicContact CB-CD2 4.38Å; I331-F385 HydrophobicContact CB-CE2 4.02Å; I331-F385 HydrophobicContact CG1-CE2 4.36Å; I331-F385 HydrophobicContact CG2-CD2 4.47Å; I331-F385 HydrophobicContact CG2-CE2 4.5Å; M346-F385 HydrophobicContact CE-CE2 3.74Å; M346-F385 HydrophobicContact CE-CZ 3.87Å; M346-F385 HydrophobicContact SD-CE2 3.92Å; M346-F385 HydrophobicContact SD-CZ 4Å; A348-F385 HydrophobicContact CB-CZ 4.22Å; W354-F385 HydrophobicContact CH2-CB 4.01Å; W354-F385 HydrophobicContact CH2-CG 4.5Å; W354-F385 HydrophobicContact CZ3-CB 4.12Å; W354-F385 HydrophobicContact CZ3-CD1 4.34Å; W354-F385 HydrophobicContact CZ3-CG 4.23Å; R381-F385 PolarHBondContact O-N 2.86Å; R381-F385 VanDerWaalsContact O-N 3.09Å; L382-F385 PolarHBondContact O-N 2.96Å; A383-F385 PolarHBondContact O-N 3.34Å; F385-E387 VanDerWaalsContact C-N 3.34Å; F385-E387 PolarHBondContact O-N 3.17Å; F385-R388 WeakPolarHBondContact O-CB 3.37Å; F385-R388 PolarHBondContact O-N 3.4Å; F385-I406 HydrophobicContact CE1-CD1 4.38Å; F385-I406 HydrophobicContact CE1-CG2 3.78Å; F385-I406 HydrophobicContact CE2-CD1 4.35Å; F385-I406 HydrophobicContact CZ-CD1 4.14Å; F385-I406 HydrophobicContact CZ-CG2 3.87Å
386	Y	96.6	Very high	95.1	Very high	1 Å²	1	34.1 Å²	34.1	0%	0.004	21%	0.208	C	C	.	.	H	α-helix	trans	-67.6	-31.4	-177	-78.7	-73	0	0	0	112.9	T245 L382 A383 R388 A389 I406 T425 I428 V429	T245-Y386 HydrophobicContact CG2-CD1 4.19Å; T245-Y386 WeakPolarHBondContact CG2-O 3.36Å; L382-Y386 VanDerWaalsContact O-CD2 3.3Å; L382-Y386 WeakPolarHBondContact O-CD2 3.3Å; L382-Y386 PolarHBondContact O-N 3.49Å; A383-Y386 PolarHBondContact O-N 2.87Å; Y386-R388 PolarHBondContact O-N 2.8Å; Y386-A389 VanDerWaalsContact O-CB 3.25Å; Y386-A389 WeakPolarHBondContact O-CB 3.41Å; Y386-A389 PolarHBondContact O-N 3.49Å; Y386-A389 VanDerWaalsContact O-N 3.12Å; Y386-I406 HydrophobicContact CD1-CB 4.35Å; Y386-I406 HydrophobicContact CD1-CG2 3.74Å; Y386-I406 HydrophobicContact CE1-CG2 3.66Å; Y386-T425 HydrophobicContact CE2-CG2 4Å; Y386-I428 HydrophobicContact CD2-CG2 4.25Å; Y386-I428 HydrophobicContact CG-CG2 4.23Å; Y386-V429 HydrophobicContact CD1-CG1 3.93Å; Y386-V429 HydrophobicContact CD2-CG1 4.4Å; Y386-V429 HydrophobicContact CE1-CG1 3.76Å; Y386-V429 HydrophobicContact CE2-CG1 4.26Å; Y386-V429 HydrophobicContact CG-CG1 4.25Å
387	E	95.6	Very high	94.9	Very high	111 Å²	111	34.7 Å²	34.7	52%	0.519	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-8.4	178.1	-76	-63.1	140.8	0	0	114.5	K220 A383 F385 A389	K220-E387 PolarHBondContact NZ-O 2.91Å; K220-E387 IonicContact NZ-OE2 2.66Å; A383-E387 VanDerWaalsContact O-CB 3.25Å; A383-E387 WeakPolarHBondContact O-CB 3.31Å; A383-E387 VanDerWaalsContact O-CG 3.31Å; A383-E387 WeakPolarHBondContact O-CG 3.26Å; A383-E387 PolarHBondContact O-N 2.77Å; F385-E387 VanDerWaalsContact C-N 3.34Å; F385-E387 PolarHBondContact O-N 3.17Å; E387-A389 VanDerWaalsContact C-N 3.28Å
388	R	96.5	Very high	94.8	Very high	11 Å²	11	34.9 Å²	34.9	4%	0.042	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-19.2	170.7	-70.4	174.6	75.1	170.9	-0.4	112.3	V211 I214 I331 T332 E335 S384 F385 Y386	V211-R388 PolarHBondContact O-NH1 2.68Å; I214-R388 HydrophobicContact CD1-CG 4.32Å; I214-R388 HydrophobicContact CG1-CG 4.03Å; I214-R388 HydrophobicContact CG2-CG 4.49Å; I331-R388 HydrophobicContact CD1-CB 4.12Å; I331-R388 HydrophobicContact CG1-CB 3.89Å; I331-R388 VanDerWaalsContact CG2-CZ 3.46Å; I331-R388 VanDerWaalsContact CG2-NH1 3.29Å; T332-R388 PolarHBondContact OG1-NH2 2.74Å; E335-R388 VanDerWaalsContact CD-NH2 3.27Å; E335-R388 WeakPolarHBondContact OE1-CB 3.36Å; E335-R388 WeakPolarHBondContact OE1-CG 3.44Å; E335-R388 IonicContact OE1-CZ 3.29Å; E335-R388 IonicContact OE1-NE 2.68Å; E335-R388 PolarHBondContact OE1-NE 2.97Å; E335-R388 IonicContact OE1-NH2 3.2Å; E335-R388 IonicContact OE2-CZ 3.12Å; E335-R388 IonicContact OE2-NE 3.53Å; E335-R388 IonicContact OE2-NH2 2.65Å; E335-R388 PolarHBondContact OE2-NH2 3.02Å; S384-R388 WeakPolarHBondContact O-CD 3.28Å; S384-R388 WeakPolarHBondContact O-CG 3.36Å; F385-R388 WeakPolarHBondContact O-CB 3.37Å; F385-R388 PolarHBondContact O-N 3.4Å; Y386-R388 PolarHBondContact O-N 2.8Å
389	A	96.1	Very high	94.7	Very high	8 Å²	8	41.4 Å²	41.4	7%	0.066	24%	0.239	C	C	.	.			trans	-67.4	156.2	168.4	0	0	0	0	0	111.3	T245 Y386 E387 V404 I406	T245-A389 HydrophobicContact CG2-CB 3.59Å; Y386-A389 VanDerWaalsContact O-CB 3.25Å; Y386-A389 WeakPolarHBondContact O-CB 3.41Å; Y386-A389 PolarHBondContact O-N 3.49Å; Y386-A389 VanDerWaalsContact O-N 3.12Å; E387-A389 VanDerWaalsContact C-N 3.28Å; A389-V404 WeakPolarHBondContact CA-O 3.16Å; A389-V404 WeakPolarHBondContact CB-O 3.34Å; A389-I406 HydrophobicContact CB-CB 4.23Å; A389-I406 HydrophobicContact CB-CD1 3.7Å; A389-I406 HydrophobicContact CB-CG1 3.76Å
390	G	96.1	Very high	94.7	Very high	12 Å²	12	40.7 Å²	40.7	12%	0.124	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	148.3	157.6	177.4	0	0	0	0	0	112.7	G243 S403 V404	G243-G390 WeakPolarHBondContact O-CA 3.41Å; G243-G390 PolarHBondContact O-N 3.4Å; G390-S403 WeakPolarHBondContact O-CA 3.3Å; G390-V404 PolarHBondContact N-O 2.88Å; G390-V404 PolarHBondContact O-N 2.84Å
391	R	97.3	Very high	94.8	Very high	52 Å²	52	42.2 Å²	42.2	20%	0.196	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	133.1	161.8	-177.9	178	172.3	172.3	-13.1	108.8	L221 N224 E401	L221-R391 HydrophobicContact CB-CG 4.23Å; L221-R391 PolarHBondContact N-O 3.1Å; L221-R391 VanDerWaalsContact O-O 3.13Å; N224-R391 PolarHBondContact OD1-NH1 2.62Å; R391-E401 IonicContact CZ-OE2 3.31Å; R391-E401 VanDerWaalsContact CZ-OE2 3.29Å; R391-E401 IonicContact NE-OE2 3.18Å; R391-E401 PolarHBondContact NE-OE2 3.46Å; R391-E401 IonicContact NH2-OE2 2.81Å; R391-E401 PolarHBondContact NH2-OE2 2.86Å
392	V	96.9	Very high	94.9	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.012	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	152.2	-174.9	-55.1	0	0	0	0	110.5	V217 E219 K220 R338 E401 G402	V217-V392 HydrophobicContact CB-CB 4.19Å; V217-V392 HydrophobicContact CB-CG2 4.3Å; V217-V392 HydrophobicContact CG1-CB 4.15Å; V217-V392 HydrophobicContact CG1-CG1 4.35Å; V217-V392 HydrophobicContact CG1-CG2 3.81Å; V217-V392 HydrophobicContact CG2-CB 4.39Å; V217-V392 HydrophobicContact CG2-CG1 4.32Å; E219-V392 WeakPolarHBondContact O-CA 3.47Å; K220-V392 HydrophobicContact CG-CG1 4.15Å; R338-V392 HydrophobicContact CG-CG2 4.09Å; V392-E401 WeakPolarHBondContact O-CA 3.31Å; V392-G402 PolarHBondContact N-O 2.78Å; V392-G402 PolarHBondContact O-N 2.92Å; V392-G402 VanDerWaalsContact O-N 3.08Å
393	K	97.2	Very high	95	Very high	44 Å²	44	39.5 Å²	39.5	19%	0.191	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	119.2	161.3	-167.2	172.5	179.9	174.3	0	107.9	T218 E219 L221 E399	T218-K393 WeakPolarHBondContact CB-O 3.27Å; T218-K393 PolarHBondContact N-O 3.2Å; E219-K393 HydrophobicContact CG-CB 3.61Å; E219-K393 HydrophobicContact CG-CD 4.25Å; E219-K393 PolarHBondContact O-N 3.5Å; E219-K393 WeakPolarHBondContact OE1-CD 3.48Å; L221-K393 HydrophobicContact CD1-CB 4.31Å; K393-E399 WeakPolarHBondContact CE-OE1 3.44Å; K393-E399 VanDerWaalsContact NZ-CD 3.29Å; K393-E399 IonicContact NZ-OE1 2.91Å; K393-E399 PolarHBondContact NZ-OE1 2.98Å; K393-E399 IonicContact NZ-OE2 3.64Å; K393-E399 PolarHBondContact NZ-OE2 3.11Å
394	C	95.1	Very high	95.1	Very high	3 Å²	3	38 Å²	38	2%	0.02	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-65.3	158.3	-177.7	-56.9	0	0	0	0	110.7	T218 R338 R400	T218-C394 PolarHBondContact OG1-O 3.28Å; R338-C394 PolarHBondContact O-SG 2.82Å; C394-R400 HydrophobicContact CB-CB 4.09Å; C394-R400 PolarHBondContact N-O 3.06Å
395	L	93.6	Very high	95.2	Very high	46 Å²	46	35.6 Å²	35.6	24%	0.241	18%	0.183	C	C	.	.	S	Bend	trans	-83	142.9	176.8	-163.1	147	0	0	0	110.3	G149 G150 P216 T218	G149-L395 VanDerWaalsContact C-CD2 3.46Å; G149-L395 WeakPolarHBondContact O-CD2 3.12Å; G150-L395 CarbonylContact C-O 3.45Å; P216-L395 HydrophobicContact CB-CD1 4.25Å; T218-L395 WeakPolarHBondContact OG1-CA 3.4Å
396	G	90.2	Very high	95.3	Very high	17 Å²	17	35.6 Å²	35.6	18%	0.175	18%	0.183	C	C	.	.	S	Bend	trans	85.8	172	176.1	0	0	0	0	0	115.3	D151 P398	D151-G396 WeakPolarHBondContact OD1-CA 3.5Å; G396-P398 VanDerWaalsContact O-O 3.13Å
397	N	88.9	Confident	95.3	Very high	101 Å²	101	35.7 Å²	35.7	54%	0.54	18%	0.183	S	C	.	.	S	Bend	trans	-91.7	143.9	179.2	-61.2	-64.6	0	0	0	110.8	D151 I152 R400	D151-N397 VanDerWaalsContact CA-O 3.3Å; D151-N397 WeakPolarHBondContact CA-O 3.18Å; D151-N397 PolarHBondContact OD1-N 2.94Å; I152-N397 PolarHBondContact N-O 3.21Å; N397-R400 PolarHBondContact O-NH2 2.73Å
398	P	90.5	Very high	95.3	Very high	73 Å²	73	30.4 Å²	30.4	47%	0.474	16%	0.159	S	C	.	.	S	Bend	cis	-68.5	160.3	-6.3	30.7	-36.6	0	0	0	112.7	I152 G396 R400	I152-P398 HydrophobicContact CD1-CG 4.12Å; G396-P398 VanDerWaalsContact O-O 3.13Å; P398-R400 HydrophobicContact CG-CG 4.32Å; P398-R400 WeakPolarHBondContact O-CG 3.34Å; P398-R400 PolarHBondContact O-N 2.79Å; P398-R400 PolarHBondContact O-NE 2.86Å
399	E	92.8	Very high	95.1	Very high	146 Å²	146	30 Å²	30	68%	0.682	16%	0.157	S	C	*	.	P	Polyproline II helix	trans	-59.6	125.5	173.1	-64	-157.6	140.9	0	0	110.4	K393	K393-E399 WeakPolarHBondContact CE-OE1 3.44Å; K393-E399 VanDerWaalsContact NZ-CD 3.29Å; K393-E399 IonicContact NZ-OE1 2.91Å; K393-E399 PolarHBondContact NZ-OE1 2.98Å; K393-E399 IonicContact NZ-OE2 3.64Å; K393-E399 PolarHBondContact NZ-OE2 3.11Å
400	R	94.4	Very high	95	Very high	19 Å²	19	29.6 Å²	29.6	7%	0.072	16%	0.155	C	C	.	.			trans	-140.5	147	-174.5	-72.6	165	-78	157.7	-7.2	109.4	G150 I152 M167 D339 C394 N397 P398	G150-R400 PolarHBondContact O-NH2 3.12Å; I152-R400 VanDerWaalsContact CD1-CZ 3.4Å; I152-R400 VanDerWaalsContact CG1-CZ 3.41Å; I152-R400 VanDerWaalsContact CG1-NH1 3.28Å; M167-R400 PolarHBondContact SD-NH1 3Å; D339-R400 PolarHBondContact O-NH1 3.29Å; C394-R400 HydrophobicContact CB-CB 4.09Å; C394-R400 PolarHBondContact N-O 3.06Å; N397-R400 PolarHBondContact O-NH2 2.73Å; P398-R400 HydrophobicContact CG-CG 4.32Å; P398-R400 WeakPolarHBondContact O-CG 3.34Å; P398-R400 PolarHBondContact O-N 2.79Å; P398-R400 PolarHBondContact O-NE 2.86Å
401	E	96.3	Very high	94.8	Very high	98 Å²	98	29.3 Å²	29.3	46%	0.458	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	138.7	169.6	-63.8	-177.5	-163.7	0	0	108.4	L221 G341 R391 V392	L221-E401 HydrophobicContact CD1-CG 4.15Å; G341-E401 CarbonylContact C-O 2.94Å; G341-E401 WeakPolarHBondContact CA-O 3.49Å; R391-E401 IonicContact CZ-OE2 3.31Å; R391-E401 VanDerWaalsContact CZ-OE2 3.29Å; R391-E401 IonicContact NE-OE2 3.18Å; R391-E401 PolarHBondContact NE-OE2 3.46Å; R391-E401 IonicContact NH2-OE2 2.81Å; R391-E401 PolarHBondContact NH2-OE2 2.86Å; V392-E401 WeakPolarHBondContact O-CA 3.31Å
402	G	96.1	Very high	94.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	161.1	176	0	0	0	0	0	110.1	V392	V392-G402 PolarHBondContact N-O 2.78Å; V392-G402 PolarHBondContact O-N 2.92Å; V392-G402 VanDerWaalsContact O-N 3.08Å
403	S	97.3	Very high	93.9	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.007	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	147.3	178.6	69.8	0	0	0	0	111.6	Y342 N343 V344 G390	Y342-S403 PolarHBondContact O-N 3.48Å; N343-S403 WeakPolarHBondContact OD1-CB 3.31Å; N343-S403 PolarHBondContact OD1-OG 2.87Å; V344-S403 PolarHBondContact N-O 2.97Å; G390-S403 WeakPolarHBondContact O-CA 3.3Å
404	V	98.1	Very high	93.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	112.2	168.1	175.2	0	0	0	0	108	G243 I331 R338 V344 A389 G390 I406	G243-V404 CarbonylContact C-O 3.6Å; G243-V404 VanDerWaalsContact CA-O 3.29Å; G243-V404 WeakPolarHBondContact CA-O 2.96Å; I331-V404 HydrophobicContact CD1-CG1 4.08Å; R338-V404 HydrophobicContact CB-CG2 3.53Å; R338-V404 HydrophobicContact CG-CG2 3.82Å; V344-V404 HydrophobicContact CB-CG2 4.33Å; V344-V404 CarbonylContact O-C 3.38Å; V344-V404 WeakPolarHBondContact O-CA 3.27Å; A389-V404 WeakPolarHBondContact CA-O 3.16Å; A389-V404 WeakPolarHBondContact CB-O 3.34Å; G390-V404 PolarHBondContact N-O 2.88Å; G390-V404 PolarHBondContact O-N 2.84Å; V404-I406 HydrophobicContact CG1-CG1 4.15Å
405	S	97.6	Very high	92.6	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.007	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	129.9	169.6	-53.7	0	0	0	0	108.9	V241 Q242 G243 G244 V344 M346	V241-S405 PolarHBondContact O-OG 3.48Å; Q242-S405 WeakPolarHBondContact CA-OG 3.41Å; G243-S405 PolarHBondContact N-OG 3.03Å; G244-S405 WeakPolarHBondContact O-CA 3.17Å; V344-S405 PolarHBondContact O-N 2.6Å; M346-S405 PolarHBondContact N-O 2.83Å
406	I	97.5	Very high	92.3	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	125.5	174.9	-66.4	176.1	0	0	0	109.3	G244 T246 I331 M346 F385 Y386 A389 V404	G244-I406 PolarHBondContact O-N 3.27Å; T246-I406 PolarHBondContact N-O 3.36Å; I331-I406 HydrophobicContact CD1-CD1 3.63Å; I331-I406 HydrophobicContact CD1-CG1 4.16Å; M346-I406 HydrophobicContact CB-CG1 4.38Å; M346-I406 HydrophobicContact SD-CG1 4.45Å; F385-I406 HydrophobicContact CE1-CD1 4.38Å; F385-I406 HydrophobicContact CE1-CG2 3.78Å; F385-I406 HydrophobicContact CE2-CD1 4.35Å; F385-I406 HydrophobicContact CZ-CD1 4.14Å; F385-I406 HydrophobicContact CZ-CG2 3.87Å; Y386-I406 HydrophobicContact CD1-CB 4.35Å; Y386-I406 HydrophobicContact CD1-CG2 3.74Å; Y386-I406 HydrophobicContact CE1-CG2 3.66Å; A389-I406 HydrophobicContact CB-CB 4.23Å; A389-I406 HydrophobicContact CB-CD1 3.7Å; A389-I406 HydrophobicContact CB-CG1 3.76Å; V404-I406 HydrophobicContact CG1-CG1 4.15Å
407	V	96.6	Very high	92.2	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.018	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	103	171.5	-174.8	0	0	0	0	108.5	T246 I248 L263 M346 M347 A348	T246-V407 WeakPolarHBondContact O-CA 3.24Å; I248-V407 HydrophobicContact CD1-CG1 3.45Å; I248-V407 VanDerWaalsContact CD1-CG1 3.45Å; I248-V407 HydrophobicContact CG1-CG1 3.86Å; L263-V407 HydrophobicContact CD1-CG2 4.3Å; L263-V407 HydrophobicContact CD2-CG2 4.26Å; M346-V407 PolarHBondContact O-N 3.37Å; M347-V407 WeakPolarHBondContact CA-O 3.47Å; A348-V407 PolarHBondContact N-O 3.23Å
408	G	95.6	Very high	92.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	121.7	-179.6	0	0	0	0	0	112.2	T246 A247 I248	T246-G408 PolarHBondContact O-N 3.45Å; A247-G408 CarbonylContact C-O 3.58Å; A247-G408 WeakPolarHBondContact CA-O 3.34Å; I248-G408 PolarHBondContact N-O 3.46Å
409	A	94.1	Very high	92.2	Very high	2 Å²	2	33.6 Å²	33.6	2%	0.017	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	123.5	171.9	0	0	0	0	0	110.2	K256 A348 D349 S350 T351	K256-A409 HydrophobicContact CD-CB 4.29Å; A348-A409 PolarHBondContact O-N 3.09Å; D349-A409 HydrophobicContact CB-CB 4.3Å; D349-A409 WeakPolarHBondContact OD1-CB 3.39Å; S350-A409 WeakPolarHBondContact CA-O 3.01Å; S350-A409 WeakPolarHBondContact CB-O 3.38Å; T351-A409 PolarHBondContact N-O 3.38Å; T351-A409 PolarHBondContact OG1-O 2.96Å
410	V	94	Very high	92.1	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	130.1	178	-170.3	0	0	0	0	108	A247 I248 P249 G250 S352 P412 V421 T425	A247-V410 HydrophobicContact CB-CG2 4.46Å; I248-V410 PolarHBondContact O-N 3.46Å; P249-V410 VanDerWaalsContact CA-O 3.27Å; P249-V410 WeakPolarHBondContact CA-O 3.26Å; P249-V410 HydrophobicContact CB-CB 4.09Å; G250-V410 PolarHBondContact N-O 3.34Å; G250-V410 VanDerWaalsContact N-O 3.12Å; S352-V410 VanDerWaalsContact OG-CG1 3.32Å; S352-V410 WeakPolarHBondContact OG-CG1 3.31Å; V410-P412 VanDerWaalsContact C-CD 3.44Å; V410-P412 WeakPolarHBondContact O-CD 3.38Å; V410-V421 HydrophobicContact CG1-CG1 4.25Å; V410-T425 HydrophobicContact CG2-CG2 4.09Å
411	S	91.1	Very high	92.1	Very high	5 Å²	5	27 Å²	27	4%	0.035	18%	0.175	C	C	.	.			trans	-115.6	77.6	-179.6	-70.3	0	0	0	0	109.6	K256 S352	K256-S411 WeakPolarHBondContact CE-OG 3.03Å; K256-S411 PolarHBondContact NZ-OG 2.95Å; K256-S411 VanDerWaalsContact NZ-OG 3.1Å; S352-S411 PolarHBondContact OG-N 3.21Å
412	P	89.2	Confident	92	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	15%	0.154	C	C	.	.			trans	-62.4	142.6	176.6	22.7	-30.4	0	0	0	111.3	V410 G414 G415 D416 F417 D419	V410-P412 VanDerWaalsContact C-CD 3.44Å; V410-P412 WeakPolarHBondContact O-CD 3.38Å; P412-G414 PolarHBondContact O-N 3.09Å; P412-G415 PolarHBondContact O-N 3.17Å; P412-D416 WeakPolarHBondContact CB-O 3.39Å; P412-F417 HydrophobicContact CG-CD1 4.47Å; P412-D419 HydrophobicContact CB-CB 4.27Å
413	P	86.3	Confident	91.8	Very high	85 Å²	85	25.3 Å²	25.3	55%	0.552	17%	0.174	S	C	*	.	G	3₁₀ helix	trans	-61	124.3	174.8	26.7	-32.9	0	0	0	109.6	G415 D416	P413-G415 PolarHBondContact O-N 3.23Å; P413-G415 VanDerWaalsContact O-N 3.12Å; P413-D416 PolarHBondContact O-N 2.88Å
414	G	82.9	Confident	91.7	Very high	74 Å²	74	26.5 Å²	26.5	76%	0.763	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	72.2	-2.1	179.6	0	0	0	0	0	116	P412	P412-G414 PolarHBondContact O-N 3.09Å
415	G	82.7	Confident	91.5	Very high	25 Å²	25	26.6 Å²	26.6	26%	0.258	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	84.4	14.4	-173.8	0	0	0	0	0	114.2	P412 P413	P412-G415 PolarHBondContact O-N 3.17Å; P413-G415 PolarHBondContact O-N 3.23Å; P413-G415 VanDerWaalsContact O-N 3.12Å
416	D	87.1	Confident	91.4	Very high	88 Å²	88	28.7 Å²	28.7	47%	0.471	20%	0.195	S	C	.	.			trans	-83.4	122.5	-179.9	-173.5	3.2	0	0	0	111.7	P412 P413 S418	P412-D416 WeakPolarHBondContact CB-O 3.39Å; P413-D416 PolarHBondContact O-N 2.88Å; D416-S418 PolarHBondContact O-N 2.93Å; D416-S418 WeakPolarHBondContact OD1-CB 3.48Å; D416-S418 PolarHBondContact OD1-N 3.35Å; D416-S418 PolarHBondContact OD1-OG 2.91Å; D416-S418 PolarHBondContact OD2-OG 3.44Å
417	F	87	Confident	91.1	Very high	61 Å²	61	31.8 Å²	31.8	27%	0.268	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-7.5	178.9	-55.9	-41.9	0	0	0	113.7	P249 P412 D419 T422 F432 I452	P249-F417 HydrophobicContact CB-CD1 4.26Å; P249-F417 HydrophobicContact CB-CE1 3.93Å; P249-F417 HydrophobicContact CG-CE1 4.24Å; P412-F417 HydrophobicContact CG-CD1 4.47Å; F417-D419 PolarHBondContact O-N 2.91Å; F417-T422 HydrophobicContact CB-CG2 4.02Å; F417-T422 HydrophobicContact CD1-CG2 4Å; F417-T422 HydrophobicContact CG-CG2 4.42Å; F417-F432 HydrophobicContact CE1-CZ 4.47Å; F417-I452 HydrophobicContact CD2-CD1 4.37Å; F417-I452 HydrophobicContact CE2-CD1 3.36Å; F417-I452 HydrophobicContact CZ-CD1 3.81Å
418	S	88.3	Confident	91.1	Very high	80 Å²	80	32.9 Å²	32.9	56%	0.559	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-12	173.4	82	0	0	0	0	113.4	D416	D416-S418 PolarHBondContact O-N 2.93Å; D416-S418 WeakPolarHBondContact OD1-CB 3.48Å; D416-S418 PolarHBondContact OD1-N 3.35Å; D416-S418 PolarHBondContact OD1-OG 2.91Å; D416-S418 PolarHBondContact OD2-OG 3.44Å
419	D	90.9	Very high	91.1	Very high	15 Å²	15	32.9 Å²	32.9	8%	0.08	23%	0.233	C	C	.	.	S	Bend	trans	-55.3	137.8	178	173.8	77.1	0	0	0	111.9	P412 F417 V421 T422 S423	P412-D419 HydrophobicContact CB-CB 4.27Å; F417-D419 PolarHBondContact O-N 2.91Å; D419-V421 PolarHBondContact O-N 3.46Å; D419-V421 VanDerWaalsContact O-N 3.16Å; D419-V421 WeakPolarHBondContact OD2-CA 3.26Å; D419-V421 WeakPolarHBondContact OD2-CB 3.41Å; D419-V421 WeakPolarHBondContact OD2-CG2 3.42Å; D419-V421 PolarHBondContact OD2-N 3.32Å; D419-T422 PolarHBondContact O-N 2.86Å; D419-T422 PolarHBondContact OD2-N 3.46Å; D419-S423 PolarHBondContact O-N 3.25Å; D419-S423 PolarHBondContact O-OG 2.96Å
420	P	92.2	Very high	91.3	Very high	27 Å²	27	35.7 Å²	35.7	18%	0.175	25%	0.246	C	C	.	.	H	α-helix	trans	-56.2	-33.1	-177.9	-29.7	36.4	0	0	0	114.5	D371 Y374 A424	D371-P420 HydrophobicContact CB-CG 4.01Å; Y374-P420 HydrophobicContact CD2-CB 3.86Å; Y374-P420 HydrophobicContact CD2-CG 3.98Å; Y374-P420 HydrophobicContact CE2-CB 4.12Å; Y374-P420 HydrophobicContact CE2-CG 4.12Å; P420-A424 WeakPolarHBondContact O-CB 3.33Å; P420-A424 PolarHBondContact O-N 3.49Å
421	V	94.3	Very high	91.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-69.8	-41.4	178.3	-171.5	0	0	0	0	110.3	A355 Y374 L378 L382 V410 D419 T425	A355-V421 HydrophobicContact CB-CB 4.41Å; A355-V421 HydrophobicContact CB-CG1 3.98Å; A355-V421 HydrophobicContact CB-CG2 3.49Å; A355-V421 VanDerWaalsContact CB-CG2 3.49Å; Y374-V421 HydrophobicContact CE1-CG2 3.89Å; Y374-V421 HydrophobicContact CE2-CG2 4.05Å; Y374-V421 WeakPolarHBondContact OH-CG2 3.23Å; L378-V421 HydrophobicContact CD2-CG2 4.27Å; L382-V421 HydrophobicContact CD1-CG1 4.48Å; V410-V421 HydrophobicContact CG1-CG1 4.25Å; D419-V421 PolarHBondContact O-N 3.46Å; D419-V421 VanDerWaalsContact O-N 3.16Å; D419-V421 WeakPolarHBondContact OD2-CA 3.26Å; D419-V421 WeakPolarHBondContact OD2-CB 3.41Å; D419-V421 WeakPolarHBondContact OD2-CG2 3.42Å; D419-V421 PolarHBondContact OD2-N 3.32Å; V421-T425 VanDerWaalsContact O-CB 3.28Å; V421-T425 WeakPolarHBondContact O-CB 3.46Å; V421-T425 PolarHBondContact O-N 2.88Å; V421-T425 PolarHBondContact O-OG1 3.03Å
422	T	93.1	Very high	91.6	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.012	25%	0.246	C	C	.	.	H	α-helix	trans	-67.2	-46.7	177.4	-54.7	0	0	0	0	110.9	P249 F417 D419 A424 T425 L426	P249-T422 HydrophobicContact CB-CG2 4.4Å; F417-T422 HydrophobicContact CB-CG2 4.02Å; F417-T422 HydrophobicContact CD1-CG2 4Å; F417-T422 HydrophobicContact CG-CG2 4.42Å; D419-T422 PolarHBondContact O-N 2.86Å; D419-T422 PolarHBondContact OD2-N 3.46Å; T422-A424 PolarHBondContact O-N 3.28Å; T422-T425 PolarHBondContact O-N 2.8Å; T422-L426 HydrophobicContact CG2-CD1 4.03Å; T422-L426 HydrophobicContact CG2-CG 4.44Å; T422-L426 WeakPolarHBondContact O-CB 3.24Å; T422-L426 WeakPolarHBondContact O-CG 3.36Å; T422-L426 PolarHBondContact O-N 3.43Å
423	S	92.6	Very high	92	Very high	60 Å²	60	35.8 Å²	35.8	42%	0.42	25%	0.246	S	C	.	.	H	α-helix	trans	-60.8	-45	178	-65.9	0	0	0	0	112.2	D419 L426 G427	D419-S423 PolarHBondContact O-N 3.25Å; D419-S423 PolarHBondContact O-OG 2.96Å; S423-L426 PolarHBondContact O-N 3.45Å; S423-G427 PolarHBondContact O-N 3.41Å
424	A	94.4	Very high	92.4	Very high	26 Å²	26	31.7 Å²	31.7	22%	0.215	22%	0.219	C	C	.	.	H	α-helix	trans	-64.5	-42.1	175.9	0	0	0	0	0	111.8	L382 P420 T422 G427 I428	L382-A424 HydrophobicContact CD1-CB 3.68Å; P420-A424 WeakPolarHBondContact O-CB 3.33Å; P420-A424 PolarHBondContact O-N 3.49Å; T422-A424 PolarHBondContact O-N 3.28Å; A424-G427 PolarHBondContact O-N 3.23Å; A424-I428 VanDerWaalsContact O-CD1 3.26Å; A424-I428 WeakPolarHBondContact O-CD1 3.46Å; A424-I428 WeakPolarHBondContact O-CG1 3.48Å
425	T	95.2	Very high	92.9	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.012	18%	0.184	C	C	.	.	H	α-helix	trans	-63.4	-44.8	178	-58.3	0	0	0	0	111.3	A247 Y386 V410 V421 T422 G427 I428 V429	A247-T425 HydrophobicContact CB-CG2 3.56Å; Y386-T425 HydrophobicContact CE2-CG2 4Å; V410-T425 HydrophobicContact CG2-CG2 4.09Å; V421-T425 VanDerWaalsContact O-CB 3.28Å; V421-T425 WeakPolarHBondContact O-CB 3.46Å; V421-T425 PolarHBondContact O-N 2.88Å; V421-T425 PolarHBondContact O-OG1 3.03Å; T422-T425 PolarHBondContact O-N 2.8Å; T425-G427 PolarHBondContact O-N 3.37Å; T425-I428 PolarHBondContact O-N 2.8Å; T425-V429 HydrophobicContact CG2-CG1 3.72Å; T425-V429 HydrophobicContact CG2-CG2 4.37Å; T425-V429 WeakPolarHBondContact O-CG2 3.34Å; T425-V429 PolarHBondContact O-N 2.87Å
426	L	93.8	Very high	93.3	Very high	45 Å²	45	29 Å²	29	24%	0.236	18%	0.182	C	C	.	.	H	α-helix	trans	-56.2	-35.6	176.7	-85.8	168.5	0	0	0	113.3	T422 S423 I428 F432 Y454	T422-L426 HydrophobicContact CG2-CD1 4.03Å; T422-L426 HydrophobicContact CG2-CG 4.44Å; T422-L426 WeakPolarHBondContact O-CB 3.24Å; T422-L426 WeakPolarHBondContact O-CG 3.36Å; T422-L426 PolarHBondContact O-N 3.43Å; S423-L426 PolarHBondContact O-N 3.45Å; L426-I428 VanDerWaalsContact C-N 3.26Å; L426-I428 PolarHBondContact O-N 2.86Å; L426-F432 HydrophobicContact CD1-CE2 4.21Å; L426-F432 HydrophobicContact CD2-CB 4.28Å; L426-F432 HydrophobicContact CD2-CD1 4.34Å; L426-F432 HydrophobicContact CD2-CD2 3.2Å; L426-F432 HydrophobicContact CD2-CE2 3.33Å; L426-F432 HydrophobicContact CD2-CG 3.72Å; L426-F432 HydrophobicContact CD2-CZ 4.08Å; L426-F432 HydrophobicContact CG-CD2 4.02Å; L426-F432 HydrophobicContact CG-CE2 3.83Å; L426-Y454 HydrophobicContact CD2-CE1 3.9Å; L426-Y454 WeakPolarHBondContact CD2-OH 3.32Å; L426-Y454 PolarHBondContact O-OH 3.43Å
427	G	92.8	Very high	93.5	Very high	67 Å²	67	30 Å²	30	69%	0.691	18%	0.181	S	C	*	.	H	α-helix	trans	-69.5	-21.2	177.1	0	0	0	0	0	114.2	S423 A424 T425	S423-G427 PolarHBondContact O-N 3.41Å; A424-G427 PolarHBondContact O-N 3.23Å; T425-G427 PolarHBondContact O-N 3.37Å
428	I	95.6	Very high	93.7	Very high	25 Å²	25	33.9 Å²	33.9	13%	0.128	20%	0.198	C	C	.	.	H	α-helix	trans	-104.7	-47.1	-172.5	-58.2	158	0	0	0	111.3	L382 A383 Y386 A424 T425 L426	L382-I428 HydrophobicContact CB-CD1 3.62Å; A383-I428 HydrophobicContact CB-CD1 3.98Å; A383-I428 HydrophobicContact CB-CG1 4.25Å; Y386-I428 HydrophobicContact CD2-CG2 4.25Å; Y386-I428 HydrophobicContact CG-CG2 4.23Å; A424-I428 VanDerWaalsContact O-CD1 3.26Å; A424-I428 WeakPolarHBondContact O-CD1 3.46Å; A424-I428 WeakPolarHBondContact O-CG1 3.48Å; T425-I428 PolarHBondContact O-N 2.8Å; L426-I428 VanDerWaalsContact C-N 3.26Å; L426-I428 PolarHBondContact O-N 2.86Å
429	V	96.7	Very high	93.9	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.177	C	C	.	.			trans	-72.3	151.7	-173.3	-57.8	0	0	0	0	112.3	A247 Y386 T425 V431	A247-V429 HydrophobicContact CB-CB 4.42Å; A247-V429 HydrophobicContact CB-CG1 4.1Å; A247-V429 HydrophobicContact CB-CG2 3.85Å; Y386-V429 HydrophobicContact CD1-CG1 3.93Å; Y386-V429 HydrophobicContact CD2-CG1 4.4Å; Y386-V429 HydrophobicContact CE1-CG1 3.76Å; Y386-V429 HydrophobicContact CE2-CG1 4.26Å; Y386-V429 HydrophobicContact CG-CG1 4.25Å; T425-V429 HydrophobicContact CG2-CG1 3.72Å; T425-V429 HydrophobicContact CG2-CG2 4.37Å; T425-V429 WeakPolarHBondContact O-CG2 3.34Å; T425-V429 PolarHBondContact O-N 2.87Å; V429-V431 WeakPolarHBondContact CG2-O 3.13Å
430	Q	96.4	Very high	93.9	Very high	62 Å²	62	31 Å²	31	29%	0.29	18%	0.179	S	C	.	.	S	Bend	trans	-95.2	-24.9	178.9	-61.8	-59.4	-45.6	0	0	112.7	T245 K456 Y457	T245-Q430 PolarHBondContact O-N 2.76Å; T245-Q430 PolarHBondContact OG1-N 3.3Å; Q430-K456 HydrophobicContact CB-CB 4.41Å; Q430-K456 PolarHBondContact O-N 3.44Å; Q430-Y457 HydrophobicContact CB-CD2 4.1Å; Q430-Y457 HydrophobicContact CB-CE1 4.11Å; Q430-Y457 HydrophobicContact CB-CE2 3.35Å; Q430-Y457 WeakPolarHBondContact CB-OH 3.28Å; Q430-Y457 HydrophobicContact CG-CE1 4.23Å; Q430-Y457 HydrophobicContact CG-CE2 4.21Å; Q430-Y457 VanDerWaalsContact CG-OH 3.25Å; Q430-Y457 WeakPolarHBondContact CG-OH 3.46Å
431	V	97	Very high	93.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	135.5	175.6	-173.4	0	0	0	0	110.1	T245 T246 A247 V429 W433 Y457	T245-V431 PolarHBondContact O-N 3.38Å; T245-V431 VanDerWaalsContact O-N 3.08Å; T246-V431 WeakPolarHBondContact CA-O 3.35Å; T246-V431 HydrophobicContact CG2-CB 4.08Å; T246-V431 HydrophobicContact CG2-CG1 3.98Å; A247-V431 PolarHBondContact N-O 3.2Å; V429-V431 WeakPolarHBondContact CG2-O 3.13Å; V431-W433 HydrophobicContact CG1-CG 4.44Å; V431-W433 HydrophobicContact CG1-CZ2 4.3Å; V431-Y457 HydrophobicContact CG2-CD2 3.36Å; V431-Y457 HydrophobicContact CG2-CE2 3.63Å
432	F	96.3	Very high	93.7	Very high	7 Å²	7	46.2 Å²	46.2	3%	0.031	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	115.4	179.1	175.2	-97.5	0	0	0	109.7	P249 F417 L426 I452 S453 Y454	P249-F432 HydrophobicContact CB-CE2 4.29Å; P249-F432 HydrophobicContact CG-CD2 3.7Å; P249-F432 HydrophobicContact CG-CE1 4.48Å; P249-F432 HydrophobicContact CG-CE2 3.05Å; P249-F432 HydrophobicContact CG-CZ 3.49Å; P249-F432 VanDerWaalsContact CG-CZ 3.49Å; F417-F432 HydrophobicContact CE1-CZ 4.47Å; L426-F432 HydrophobicContact CD1-CE2 4.21Å; L426-F432 HydrophobicContact CD2-CB 4.28Å; L426-F432 HydrophobicContact CD2-CD1 4.34Å; L426-F432 HydrophobicContact CD2-CD2 3.2Å; L426-F432 HydrophobicContact CD2-CE2 3.33Å; L426-F432 HydrophobicContact CD2-CG 3.72Å; L426-F432 HydrophobicContact CD2-CZ 4.08Å; L426-F432 HydrophobicContact CG-CD2 4.02Å; L426-F432 HydrophobicContact CG-CE2 3.83Å; F432-I452 HydrophobicContact CE1-CD1 4.39Å; F432-I452 HydrophobicContact CE1-CG1 4.32Å; F432-S453 WeakPolarHBondContact O-CA 3.31Å; F432-S453 WeakPolarHBondContact O-CB 3.49Å; F432-Y454 HydrophobicContact CB-CD1 3.94Å; F432-Y454 HydrophobicContact CB-CD2 4.42Å; F432-Y454 HydrophobicContact CB-CE1 3.56Å; F432-Y454 HydrophobicContact CB-CE2 4.07Å; F432-Y454 HydrophobicContact CB-CG 4.36Å; F432-Y454 HydrophobicContact CD1-CD1 4.06Å; F432-Y454 AromaticContact CD1-CE1 3.9Å; F432-Y454 HydrophobicContact CD1-CE1 3.9Å; F432-Y454 HydrophobicContact CG-CD1 4.34Å; F432-Y454 AromaticContact CG-CE1 3.86Å; F432-Y454 HydrophobicContact CG-CE1 3.86Å; F432-Y454 PolarHBondContact N-O 2.93Å; F432-Y454 PolarHBondContact O-N 3.47Å; F432-Y454 VanDerWaalsContact O-N 3.11Å
433	W	96	Very high	93.6	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.272	C	S	.	.			trans	-106.5	83.3	175.6	-61.9	-24.8	0	0	0	109.7	T229 L234 F238 C240 T246 A247 I248 P249 I259 L263 V431 L435	T229-W433 HydrophobicContact CG2-CH2 3.8Å; T229-W433 HydrophobicContact CG2-CZ2 4.36Å; L234-W433 HydrophobicContact CB-CZ2 4.15Å; L234-W433 HydrophobicContact CD1-CD2 4.4Å; L234-W433 HydrophobicContact CD1-CE3 4Å; L234-W433 HydrophobicContact CD1-CH2 4.13Å; L234-W433 HydrophobicContact CD1-CZ2 4.44Å; L234-W433 HydrophobicContact CD1-CZ3 3.88Å; L234-W433 HydrophobicContact CD2-CB 4.43Å; L234-W433 HydrophobicContact CD2-CD2 3.6Å; L234-W433 HydrophobicContact CD2-CE3 3.98Å; L234-W433 HydrophobicContact CD2-CG 3.78Å; L234-W433 HydrophobicContact CD2-CZ2 4.36Å; L234-W433 HydrophobicContact CG-CD2 4.49Å; F238-W433 PolarHBondContact O-NE1 3.34Å; C240-W433 HydrophobicContact CB-CH2 4.32Å; C240-W433 HydrophobicContact CB-CZ2 3.94Å; T246-W433 HydrophobicContact CG2-CD2 3.55Å; T246-W433 HydrophobicContact CG2-CE3 3.57Å; T246-W433 HydrophobicContact CG2-CG 4.21Å; T246-W433 HydrophobicContact CG2-CH2 3.87Å; T246-W433 HydrophobicContact CG2-CZ2 3.91Å; T246-W433 HydrophobicContact CG2-CZ3 3.71Å; A247-W433 PolarHBondContact O-N 3.41Å; I248-W433 HydrophobicContact CD1-CE3 3.64Å; I248-W433 HydrophobicContact CD1-CZ3 3.92Å; I248-W433 HydrophobicContact CG1-CE3 3.68Å; I248-W433 HydrophobicContact CG1-CZ3 4.31Å; P249-W433 WeakPolarHBondContact CD-O 3.32Å; I259-W433 HydrophobicContact CG2-CZ3 4.39Å; L263-W433 HydrophobicContact CD1-CH2 4.18Å; L263-W433 HydrophobicContact CD1-CZ3 4.28Å; V431-W433 HydrophobicContact CG1-CG 4.44Å; V431-W433 HydrophobicContact CG1-CZ2 4.3Å; W433-L435 PolarHBondContact O-N 3.18Å
434	G	94.8	Very high	93.6	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.256	C	S	.	.			trans	-71.2	111.4	-179.8	0	0	0	0	0	111.1	N449 S453	G434-N449 PolarHBondContact O-N 2.97Å; G434-S453 PolarHBondContact N-OG 3.17Å
435	L	93.9	Very high	93.5	Very high	3 Å²	3	54.7 Å²	54.7	2%	0.016	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-84.5	128.4	174.9	-58	-177	0	0	0	110.8	I248 P249 C254 K256 I259 W433 S447 V448	I248-L435 HydrophobicContact CG2-CD1 3.73Å; I248-L435 HydrophobicContact CG2-CD2 4.44Å; I248-L435 HydrophobicContact CG2-CG 3.87Å; P249-L435 WeakPolarHBondContact O-CB 3.2Å; P249-L435 PolarHBondContact O-N 3Å; C254-L435 HydrophobicContact CB-CB 3.99Å; C254-L435 HydrophobicContact CB-CD1 4.14Å; K256-L435 HydrophobicContact CB-CD1 4.43Å; K256-L435 HydrophobicContact CG-CD1 3.56Å; I259-L435 HydrophobicContact CD1-CD1 4.21Å; I259-L435 HydrophobicContact CD1-CD2 3.74Å; W433-L435 PolarHBondContact O-N 3.18Å; L435-S447 CarbonylContact C-O 3.55Å; L435-S447 VanDerWaalsContact CA-O 3.29Å; L435-S447 WeakPolarHBondContact CA-O 3.11Å; L435-V448 HydrophobicContact CD2-CB 4.41Å; L435-V448 HydrophobicContact CD2-CG2 3.71Å
436	D	91.3	Very high	93.3	Very high	40 Å²	40	55.2 Å²	55.2	21%	0.214	27%	0.267	C	S	.	.			trans	-100.7	130.9	179.2	-179.1	13.4	0	0	0	111.9	K438 L439 A440 S447 N449	D436-K438 VanDerWaalsContact C-N 3.31Å; D436-K438 PolarHBondContact O-N 2.95Å; D436-K438 PolarHBondContact OD1-N 3.38Å; D436-L439 HydrophobicContact CB-CD1 4.3Å; D436-L439 HydrophobicContact CB-CG 4.45Å; D436-L439 PolarHBondContact O-N 3.45Å; D436-A440 PolarHBondContact O-N 3.22Å; D436-S447 PolarHBondContact N-O 2.83Å; D436-N449 HydrophobicContact CB-CB 3.79Å
437	K	90.9	Very high	93.3	Very high	107 Å²	107	53.1 Å²	53.1	47%	0.465	26%	0.256	S	S	.	.	H	α-helix	trans	-66.2	-32.2	177.5	-169	177.1	-178	-178.6	0	112	A251 A440 Q441	A251-K437 HydrophobicContact CB-CD 4.23Å; K437-A440 PolarHBondContact O-N 2.99Å; K437-Q441 HydrophobicContact CG-CG 4.49Å; K437-Q441 WeakPolarHBondContact O-CB 3.27Å; K437-Q441 VanDerWaalsContact O-CG 3.31Å; K437-Q441 WeakPolarHBondContact O-CG 3.47Å; K437-Q441 PolarHBondContact O-N 3.32Å
438	K	91.3	Very high	93.5	Very high	143 Å²	143	50 Å²	50	62%	0.622	22%	0.223	S	C	*	.	H	α-helix	trans	-64.4	-42.4	179.3	-64.7	178.2	-179.1	174.5	0	111.3	D436 Q441 R442	D436-K438 VanDerWaalsContact C-N 3.31Å; D436-K438 PolarHBondContact O-N 2.95Å; D436-K438 PolarHBondContact OD1-N 3.38Å; K438-Q441 PolarHBondContact O-N 2.92Å; K438-R442 WeakPolarHBondContact O-CG 3.17Å; K438-R442 PolarHBondContact O-N 3.29Å
439	L	91.7	Very high	93.4	Very high	20 Å²	20	50.1 Å²	50.1	11%	0.105	22%	0.224	C	C	.	.	H	α-helix	trans	-63.2	-46.5	175	-71	174	0	0	0	111.2	D436 Q441 R442 K443 H444 V448 W450	D436-L439 HydrophobicContact CB-CD1 4.3Å; D436-L439 HydrophobicContact CB-CG 4.45Å; D436-L439 PolarHBondContact O-N 3.45Å; L439-Q441 VanDerWaalsContact C-N 3.33Å; L439-Q441 PolarHBondContact O-N 3.28Å; L439-R442 CarbonylContact O-C 3.43Å; L439-R442 PolarHBondContact O-N 3.45Å; L439-R442 VanDerWaalsContact O-N 3.09Å; L439-K443 PolarHBondContact O-N 2.97Å; L439-H444 HydrophobicContact CB-CB 4.29Å; L439-H444 HydrophobicContact CD2-CB 4.19Å; L439-H444 PolarHBondContact O-N 2.8Å; L439-V448 WeakPolarHBondContact CD1-O 3.2Å; L439-W450 HydrophobicContact CD1-CE3 4.34Å; L439-W450 HydrophobicContact CD1-CH2 4.26Å; L439-W450 HydrophobicContact CD1-CZ3 3.76Å; L439-W450 HydrophobicContact CD2-CH2 3.83Å; L439-W450 HydrophobicContact CD2-CZ3 4.02Å
440	A	90.8	Very high	93.3	Very high	15 Å²	15	51.8 Å²	51.8	12%	0.124	23%	0.23	C	C	.	.	H	α-helix	trans	-60.5	-40.1	177.4	0	0	0	0	0	112.7	C254 D436 K437 R442 K443 F445	C254-A440 HydrophobicContact CB-CB 4.45Å; D436-A440 PolarHBondContact O-N 3.22Å; K437-A440 PolarHBondContact O-N 2.99Å; A440-R442 VanDerWaalsContact C-N 3.27Å; A440-R442 PolarHBondContact O-N 3.34Å; A440-K443 PolarHBondContact O-N 3.02Å; A440-F445 HydrophobicContact CB-CE1 4.34Å
441	Q	90.9	Very high	93.1	Very high	141 Å²	141	52.6 Å²	52.6	66%	0.659	24%	0.237	S	C	*	.	H	α-helix	trans	-63.7	-31.3	175.9	-76.8	177.2	-14.1	0	0	112.9	K437 K438 L439 K443	K437-Q441 HydrophobicContact CG-CG 4.49Å; K437-Q441 WeakPolarHBondContact O-CB 3.27Å; K437-Q441 VanDerWaalsContact O-CG 3.31Å; K437-Q441 WeakPolarHBondContact O-CG 3.47Å; K437-Q441 PolarHBondContact O-N 3.32Å; K438-Q441 PolarHBondContact O-N 2.92Å; L439-Q441 VanDerWaalsContact C-N 3.33Å; L439-Q441 PolarHBondContact O-N 3.28Å; Q441-K443 PolarHBondContact O-N 2.81Å
442	R	91.6	Very high	92.9	Very high	206 Å²	206	55.8 Å²	55.8	78%	0.777	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	4	173.4	-66.6	177.9	-177.2	178.9	1.4	113.2	K438 L439 A440 H444	K438-R442 WeakPolarHBondContact O-CG 3.17Å; K438-R442 PolarHBondContact O-N 3.29Å; L439-R442 CarbonylContact O-C 3.43Å; L439-R442 PolarHBondContact O-N 3.45Å; L439-R442 VanDerWaalsContact O-N 3.09Å; A440-R442 VanDerWaalsContact C-N 3.27Å; A440-R442 PolarHBondContact O-N 3.34Å; R442-H444 PolarHBondContact O-N 3.05Å
443	K	91.9	Very high	92.9	Very high	162 Å²	162	55.8 Å²	55.8	70%	0.704	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	29	-173.2	-58.7	178.9	175.9	-179.2	0	113.2	L439 A440 Q441 F445 Q521	L439-K443 PolarHBondContact O-N 2.97Å; A440-K443 PolarHBondContact O-N 3.02Å; Q441-K443 PolarHBondContact O-N 2.81Å; K443-F445 HydrophobicContact CB-CE2 4.28Å; K443-Q521 PolarHBondContact O-NE2 3.41Å
444	H	92.5	Very high	92.9	Very high	18 Å²	18	59.1 Å²	59.1	8%	0.083	27%	0.267	C	S	.	.			trans	-84	114.6	168.2	-172	-76.7	0	0	0	108.2	L439 R442 K516	L439-H444 HydrophobicContact CB-CB 4.29Å; L439-H444 HydrophobicContact CD2-CB 4.19Å; L439-H444 PolarHBondContact O-N 2.8Å; R442-H444 PolarHBondContact O-N 3.05Å; H444-K516 PolarHBondContact NE2-O 3.23Å
445	F	91.4	Very high	93	Very high	86 Å²	86	59.8 Å²	59.8	38%	0.377	27%	0.271	S	S	.	.	S	Bend	trans	-129.4	142.1	-178.2	-68.6	-68.6	0	0	0	110.2	A440 K443 Q521 Q522	A440-F445 HydrophobicContact CB-CE1 4.34Å; K443-F445 HydrophobicContact CB-CE2 4.28Å; F445-Q521 CarbonylContact O-C 3.55Å; F445-Q521 WeakPolarHBondContact O-CA 3.25Å; F445-Q521 WeakPolarHBondContact O-CG 3.49Å; F445-Q522 PolarHBondContact O-N 3.11Å; F445-Q522 VanDerWaalsContact O-O 3.13Å
446	P	92.8	Very high	93	Very high	12 Å²	12	64.6 Å²	64.6	8%	0.078	29%	0.292	C	S	.	.	S	Bend	cis	-65.9	143.4	-9	30.3	-37.3	0	0	0	111.9	V233 I259 V448	V233-P446 HydrophobicContact CG1-CG 3.52Å; I259-P446 HydrophobicContact CD1-CB 4.37Å; P446-V448 HydrophobicContact CB-CG2 4.22Å; P446-V448 PolarHBondContact O-N 2.97Å
447	S	93.8	Very high	93.2	Very high	1 Å²	1	64.6 Å²	64.6	1%	0.007	29%	0.289	C	S	.	.			trans	-81.1	38.3	-170.3	64.6	0	0	0	0	113.6	C254 L435 D436 N449	C254-S447 PolarHBondContact O-OG 2.93Å; L435-S447 CarbonylContact C-O 3.55Å; L435-S447 VanDerWaalsContact CA-O 3.29Å; L435-S447 WeakPolarHBondContact CA-O 3.11Å; D436-S447 PolarHBondContact N-O 2.83Å; S447-N449 PolarHBondContact O-N 3.33Å
448	V	95.2	Very high	93.2	Very high	1 Å²	1	61 Å²	61	1%	0.006	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-76.8	124.1	-176.8	-178.1	0	0	0	0	109.4	V233 L234 F238 L435 L439 P446 W450	V233-V448 HydrophobicContact CG1-CB 4.35Å; V233-V448 HydrophobicContact CG1-CG2 4.09Å; V233-V448 HydrophobicContact CG2-CB 4.23Å; V233-V448 HydrophobicContact CG2-CG1 4.26Å; L234-V448 HydrophobicContact CD2-CG2 3.8Å; F238-V448 HydrophobicContact CD2-CG1 4.24Å; F238-V448 HydrophobicContact CE2-CG1 4.23Å; L435-V448 HydrophobicContact CD2-CB 4.41Å; L435-V448 HydrophobicContact CD2-CG2 3.71Å; L439-V448 WeakPolarHBondContact CD1-O 3.2Å; P446-V448 HydrophobicContact CB-CG2 4.22Å; P446-V448 PolarHBondContact O-N 2.97Å; V448-W450 PolarHBondContact O-N 3.48Å
449	N	94.8	Very high	93.2	Very high	28 Å²	28	64.4 Å²	64.4	15%	0.15	29%	0.286	C	S	.	.			trans	-80.6	113.1	171.7	-179.8	-29.9	0	0	0	109.5	G434 D436 S447 L451 I452 S453	G434-N449 PolarHBondContact O-N 2.97Å; D436-N449 HydrophobicContact CB-CB 3.79Å; S447-N449 PolarHBondContact O-N 3.33Å; N449-L451 VanDerWaalsContact C-N 3.3Å; N449-L451 PolarHBondContact O-N 2.7Å; N449-L451 WeakPolarHBondContact OD1-CB 3.37Å; N449-L451 PolarHBondContact OD1-N 3.21Å; N449-I452 HydrophobicContact CB-CD1 3.81Å; N449-I452 HydrophobicContact CB-CG1 3.71Å; N449-I452 PolarHBondContact OD1-N 3.42Å; N449-S453 WeakPolarHBondContact O-CB 3.37Å; N449-S453 PolarHBondContact O-N 3.27Å; N449-S453 PolarHBondContact O-OG 3.11Å
450	W	94.4	Very high	93.2	Very high	35 Å²	35	65.7 Å²	65.7	13%	0.133	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-11.4	-176	51	81.3	0	0	0	114.6	L237 F238 L439 V448 L483 K516 L520	L237-W450 HydrophobicContact CD1-CB 4.12Å; F238-W450 HydrophobicContact CE2-CB 4.24Å; F238-W450 HydrophobicContact CZ-CB 4.21Å; F238-W450 WeakPolarHBondContact CZ-O 3.48Å; L439-W450 HydrophobicContact CD1-CE3 4.34Å; L439-W450 HydrophobicContact CD1-CH2 4.26Å; L439-W450 HydrophobicContact CD1-CZ3 3.76Å; L439-W450 HydrophobicContact CD2-CH2 3.83Å; L439-W450 HydrophobicContact CD2-CZ3 4.02Å; V448-W450 PolarHBondContact O-N 3.48Å; W450-L483 HydrophobicContact CB-CD1 4.47Å; W450-L483 HydrophobicContact CG-CD1 4.18Å; W450-K516 HydrophobicContact CH2-CD 3.62Å; W450-K516 HydrophobicContact CH2-CG 3.87Å; W450-K516 HydrophobicContact CZ2-CD 3.48Å; W450-K516 VanDerWaalsContact CZ2-CD 3.48Å; W450-K516 HydrophobicContact CZ2-CG 3.97Å; W450-L520 HydrophobicContact CD2-CD1 3.9Å; W450-L520 HydrophobicContact CE3-CD1 3.56Å; W450-L520 HydrophobicContact CG-CD1 4.47Å; W450-L520 HydrophobicContact CH2-CD1 4.48Å; W450-L520 HydrophobicContact CZ3-CD1 3.88Å
451	L	92.8	Very high	93.4	Very high	80 Å²	80	65 Å²	65	42%	0.419	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-41.3	178.5	-61.3	173.3	0	0	0	111.7	N449 E487	N449-L451 VanDerWaalsContact C-N 3.3Å; N449-L451 PolarHBondContact O-N 2.7Å; N449-L451 WeakPolarHBondContact OD1-CB 3.37Å; N449-L451 PolarHBondContact OD1-N 3.21Å; L451-E487 HydrophobicContact CD1-CB 4.12Å; L451-E487 HydrophobicContact CD1-CG 3.79Å
452	I	92.9	Very high	93.4	Very high	66 Å²	66	60.3 Å²	60.3	34%	0.338	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-24.7	-178.4	67.7	177.5	0	0	0	113.2	F417 F432 N449	F417-I452 HydrophobicContact CD2-CD1 4.37Å; F417-I452 HydrophobicContact CE2-CD1 3.36Å; F417-I452 HydrophobicContact CZ-CD1 3.81Å; F432-I452 HydrophobicContact CE1-CD1 4.39Å; F432-I452 HydrophobicContact CE1-CG1 4.32Å; N449-I452 HydrophobicContact CB-CD1 3.81Å; N449-I452 HydrophobicContact CB-CG1 3.71Å; N449-I452 PolarHBondContact OD1-N 3.42Å
453	S	95.6	Very high	93.5	Very high	7 Å²	7	57.8 Å²	57.8	5%	0.049	27%	0.27	C	S	.	.			trans	-71.1	147.1	-177.5	-65.2	0	0	0	0	110.4	F238 F432 G434 N449	F238-S453 WeakPolarHBondContact CE1-O 3.22Å; F432-S453 WeakPolarHBondContact O-CA 3.31Å; F432-S453 WeakPolarHBondContact O-CB 3.49Å; G434-S453 PolarHBondContact N-OG 3.17Å; N449-S453 WeakPolarHBondContact O-CB 3.37Å; N449-S453 PolarHBondContact O-N 3.27Å; N449-S453 PolarHBondContact O-OG 3.11Å
454	Y	95.7	Very high	93.6	Very high	71 Å²	71	52.4 Å²	52.4	28%	0.278	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	158.5	179	65.4	-95.8	0	0	0	111.7	L426 F432 K456	L426-Y454 HydrophobicContact CD2-CE1 3.9Å; L426-Y454 WeakPolarHBondContact CD2-OH 3.32Å; L426-Y454 PolarHBondContact O-OH 3.43Å; F432-Y454 HydrophobicContact CB-CD1 3.94Å; F432-Y454 HydrophobicContact CB-CD2 4.42Å; F432-Y454 HydrophobicContact CB-CE1 3.56Å; F432-Y454 HydrophobicContact CB-CE2 4.07Å; F432-Y454 HydrophobicContact CB-CG 4.36Å; F432-Y454 HydrophobicContact CD1-CD1 4.06Å; F432-Y454 AromaticContact CD1-CE1 3.9Å; F432-Y454 HydrophobicContact CD1-CE1 3.9Å; F432-Y454 HydrophobicContact CG-CD1 4.34Å; F432-Y454 AromaticContact CG-CE1 3.86Å; F432-Y454 HydrophobicContact CG-CE1 3.86Å; F432-Y454 PolarHBondContact N-O 2.93Å; F432-Y454 PolarHBondContact O-N 3.47Å; F432-Y454 VanDerWaalsContact O-N 3.11Å; Y454-K456 HydrophobicContact CD2-CG 4.43Å
455	S	96.4	Very high	93.7	Very high	13 Å²	13	51.6 Å²	51.6	9%	0.091	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	128.2	171.1	173.8	0	0	0	0	109.1	P239 Y457	P239-S455 PolarHBondContact O-OG 3.02Å; S455-Y457 VanDerWaalsContact C-N 3.34Å; S455-Y457 PolarHBondContact OG-N 3.04Å
456	K	95.4	Very high	93.8	Very high	105 Å²	105	52.4 Å²	52.4	46%	0.457	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-9	175.2	-66.6	172.4	-177.1	163.1	0	112.8	Q430 Y454 T458	Q430-K456 HydrophobicContact CB-CB 4.41Å; Q430-K456 PolarHBondContact O-N 3.44Å; Y454-K456 HydrophobicContact CD2-CG 4.43Å; K456-T458 VanDerWaalsContact C-N 3.28Å; K456-T458 PolarHBondContact O-N 2.94Å
457	Y	94.7	Very high	93.9	Very high	39 Å²	39	59.9 Å²	59.9	15%	0.153	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	0.8	-179.5	-65.4	-60.8	0	0	0	114.3	V241 T245 Q430 V431 S455 R459 A460 L461	V241-Y457 HydrophobicContact CG1-CD1 4.27Å; V241-Y457 HydrophobicContact CG1-CD2 4.31Å; V241-Y457 HydrophobicContact CG1-CG 3.89Å; V241-Y457 HydrophobicContact CG2-CD1 3.78Å; V241-Y457 HydrophobicContact CG2-CD2 3.83Å; V241-Y457 HydrophobicContact CG2-CE1 3.77Å; V241-Y457 HydrophobicContact CG2-CE2 3.81Å; V241-Y457 HydrophobicContact CG2-CG 3.83Å; T245-Y457 PolarHBondContact N-OH 3.15Å; Q430-Y457 HydrophobicContact CB-CD2 4.1Å; Q430-Y457 HydrophobicContact CB-CE1 4.11Å; Q430-Y457 HydrophobicContact CB-CE2 3.35Å; Q430-Y457 WeakPolarHBondContact CB-OH 3.28Å; Q430-Y457 HydrophobicContact CG-CE1 4.23Å; Q430-Y457 HydrophobicContact CG-CE2 4.21Å; Q430-Y457 VanDerWaalsContact CG-OH 3.25Å; Q430-Y457 WeakPolarHBondContact CG-OH 3.46Å; V431-Y457 HydrophobicContact CG2-CD2 3.36Å; V431-Y457 HydrophobicContact CG2-CE2 3.63Å; S455-Y457 VanDerWaalsContact C-N 3.34Å; S455-Y457 PolarHBondContact OG-N 3.04Å; Y457-R459 VanDerWaalsContact C-N 3.35Å; Y457-R459 PolarHBondContact O-N 2.81Å; Y457-A460 PolarHBondContact O-N 3.23Å; Y457-A460 VanDerWaalsContact O-N 3.15Å; Y457-L461 PolarHBondContact O-N 3.28Å
458	T	90.1	Very high	93.9	Very high	33 Å²	33	64.5 Å²	64.5	20%	0.202	30%	0.302	C	S	.	.	H	α-helix	trans	-53.7	-51.1	-179.8	49.2	0	0	0	0	111.7	K456 A460 L461 D462	K456-T458 VanDerWaalsContact C-N 3.28Å; K456-T458 PolarHBondContact O-N 2.94Å; T458-A460 VanDerWaalsContact C-N 3.3Å; T458-A460 PolarHBondContact O-N 2.91Å; T458-L461 PolarHBondContact O-N 3.32Å; T458-L461 VanDerWaalsContact O-N 3.14Å; T458-D462 VanDerWaalsContact O-CG 3.23Å; T458-D462 PolarHBondContact O-N 3.25Å; T458-D462 VanDerWaalsContact O-N 3.13Å
459	R	91.6	Very high	93.8	Very high	214 Å²	214	66.2 Å²	66.2	81%	0.808	31%	0.31	S	S	*	.	H	α-helix	trans	-64.1	-32.5	180	-56.7	-173.8	87.1	168.7	7	113.7	Y457 L461 D462	Y457-R459 VanDerWaalsContact C-N 3.35Å; Y457-R459 PolarHBondContact O-N 2.81Å; R459-L461 VanDerWaalsContact C-N 3.32Å; R459-D462 WeakPolarHBondContact CA-OD2 3.35Å
460	A	92.8	Very high	93.6	Very high	46 Å²	46	68.6 Å²	68.6	38%	0.38	33%	0.326	S	S	.	.	H	α-helix	trans	-74.8	-25.9	178.8	0	0	0	0	0	112.3	Y457 T458	Y457-A460 PolarHBondContact O-N 3.23Å; Y457-A460 VanDerWaalsContact O-N 3.15Å; T458-A460 VanDerWaalsContact C-N 3.3Å; T458-A460 PolarHBondContact O-N 2.91Å
461	L	93.8	Very high	93.5	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-92.1	-12.2	179.3	-74.9	174.6	0	0	0	113.7	P226 P239 V241 Y457 T458 R459 E463 Y464 Y465	P226-L461 HydrophobicContact CB-CD1 4.35Å; P226-L461 HydrophobicContact CB-CD2 3.93Å; P226-L461 HydrophobicContact CG-CD2 4.33Å; P239-L461 HydrophobicContact CB-CD1 3.67Å; P239-L461 HydrophobicContact CG-CD1 3.81Å; V241-L461 HydrophobicContact CG1-CD1 3.74Å; V241-L461 HydrophobicContact CG1-CD2 3.76Å; V241-L461 HydrophobicContact CG1-CG 3.7Å; Y457-L461 PolarHBondContact O-N 3.28Å; T458-L461 PolarHBondContact O-N 3.32Å; T458-L461 VanDerWaalsContact O-N 3.14Å; R459-L461 VanDerWaalsContact C-N 3.32Å; L461-E463 VanDerWaalsContact C-N 3.27Å; L461-E463 PolarHBondContact O-N 3.4Å; L461-Y464 WeakPolarHBondContact O-CB 3.45Å; L461-Y464 PolarHBondContact O-N 2.99Å; L461-Y465 HydrophobicContact CB-CD2 3.91Å; L461-Y465 HydrophobicContact CB-CE2 3.52Å; L461-Y465 HydrophobicContact CD1-CE2 4.15Å; L461-Y465 HydrophobicContact CG-CE2 4.42Å; L461-Y465 WeakPolarHBondContact O-CD2 3.05Å; L461-Y465 PolarHBondContact O-N 3.3Å
462	D	92.1	Very high	93.7	Very high	44 Å²	44	67.9 Å²	67.9	24%	0.235	32%	0.322	C	S	.	.	H	α-helix	trans	-57.6	-40.9	-179.5	-67.9	-22.9	0	0	0	111	T458 R459 Y464 Y465 D466 R476	T458-D462 VanDerWaalsContact O-CG 3.23Å; T458-D462 PolarHBondContact O-N 3.25Å; T458-D462 VanDerWaalsContact O-N 3.13Å; R459-D462 WeakPolarHBondContact CA-OD2 3.35Å; D462-Y464 VanDerWaalsContact C-N 3.31Å; D462-Y464 PolarHBondContact O-N 3.42Å; D462-Y465 PolarHBondContact O-N 3.37Å; D462-D466 WeakPolarHBondContact O-CB 3.42Å; D462-D466 VanDerWaalsContact O-CG 3.24Å; D462-D466 PolarHBondContact O-N 3.21Å; D462-R476 IonicContact OD1-NH2 3.59Å; D462-R476 PolarHBondContact OD1-NH2 3.24Å
463	E	93.4	Very high	93.7	Very high	153 Å²	153	66.1 Å²	66.1	72%	0.715	32%	0.315	S	S	*	.	H	α-helix	trans	-60.7	-38.2	175.1	-173.6	-177.6	177.5	0	0	112.9	L461 K467	L461-E463 VanDerWaalsContact C-N 3.27Å; L461-E463 PolarHBondContact O-N 3.4Å; E463-K467 PolarHBondContact O-N 3.35Å
464	Y	94.1	Very high	93.7	Very high	48 Å²	48	69.6 Å²	69.6	19%	0.188	34%	0.337	C	S	.	.	H	α-helix	trans	-68.1	-43.7	176.3	176.7	-89.6	0	0	0	111.2	H225 P226 L461 D462 K467 H468	H225-Y464 AromaticContact CE1-CE2 3.78Å; H225-Y464 AromaticContact ND1-CE2 3.56Å; P226-Y464 HydrophobicContact CG-CD1 3.82Å; P226-Y464 HydrophobicContact CG-CE1 3.46Å; P226-Y464 VanDerWaalsContact CG-CE1 3.46Å; P226-Y464 HydrophobicContact CG-CE2 4.41Å; P226-Y464 HydrophobicContact CG-CG 4.44Å; L461-Y464 WeakPolarHBondContact O-CB 3.45Å; L461-Y464 PolarHBondContact O-N 2.99Å; D462-Y464 VanDerWaalsContact C-N 3.31Å; D462-Y464 PolarHBondContact O-N 3.42Å; Y464-K467 PolarHBondContact O-N 2.95Å; Y464-H468 AromaticContact CD2-CD2 3.84Å; Y464-H468 AromaticContact CE2-CD2 3.56Å; Y464-H468 AromaticContact CE2-NE2 3.88Å; Y464-H468 AromaticContact CZ-CD2 3.82Å; Y464-H468 PolarHBondContact O-CD2 2.85Å; Y464-H468 PolarHBondContact O-N 2.98Å
465	Y	94.4	Very high	93.7	Very high	1 Å²	1	67.2 Å²	67.2	0%	0.004	33%	0.329	C	S	.	.	H	α-helix	trans	-69	-40.4	179.2	-66.4	-50.7	0	0	0	112	L461 D462 K467 H468 F469 F472 V473 F534	L461-Y465 HydrophobicContact CB-CD2 3.91Å; L461-Y465 HydrophobicContact CB-CE2 3.52Å; L461-Y465 HydrophobicContact CD1-CE2 4.15Å; L461-Y465 HydrophobicContact CG-CE2 4.42Å; L461-Y465 WeakPolarHBondContact O-CD2 3.05Å; L461-Y465 PolarHBondContact O-N 3.3Å; D462-Y465 PolarHBondContact O-N 3.37Å; Y465-K467 PolarHBondContact O-N 3.05Å; Y465-H468 PolarHBondContact O-N 3.15Å; Y465-F469 CarbonylContact O-C 3.56Å; Y465-F469 VanDerWaalsContact O-CA 3.31Å; Y465-F469 WeakPolarHBondContact O-CA 3.23Å; Y465-F469 PolarHBondContact O-N 3.1Å; Y465-F469 VanDerWaalsContact O-O 3.12Å; Y465-F472 AromaticContact CD1-CD1 3.84Å; Y465-F472 HydrophobicContact CD1-CD1 3.84Å; Y465-F472 HydrophobicContact CD1-CE1 4.38Å; Y465-F472 HydrophobicContact CD2-CD1 4.12Å; Y465-F472 HydrophobicContact CD2-CE1 4.34Å; Y465-F472 AromaticContact CE1-CD1 3.97Å; Y465-F472 HydrophobicContact CE1-CD1 3.97Å; Y465-F472 HydrophobicContact CE1-CE1 4.06Å; Y465-F472 HydrophobicContact CE2-CD1 4.22Å; Y465-F472 AromaticContact CE2-CE1 4Å; Y465-F472 HydrophobicContact CE2-CE1 4Å; Y465-F472 AromaticContact CG-CD1 3.93Å; Y465-F472 HydrophobicContact CG-CD1 3.93Å; Y465-F472 AromaticContact CZ-CE1 3.85Å; Y465-V473 HydrophobicContact CD2-CG2 4.31Å; Y465-F534 HydrophobicContact CD1-CE1 4.07Å; Y465-F534 AromaticContact CD1-CZ 4Å; Y465-F534 HydrophobicContact CD1-CZ 4Å; Y465-F534 AromaticContact CE1-CE1 3.77Å; Y465-F534 HydrophobicContact CE1-CE1 3.77Å; Y465-F534 HydrophobicContact CE1-CE2 4.11Å; Y465-F534 AromaticContact CE1-CZ 3.33Å; Y465-F534 HydrophobicContact CE1-CZ 3.33Å
466	D	93.1	Very high	93.7	Very high	103 Å²	103	67.4 Å²	67.4	55%	0.551	33%	0.328	S	S	*	.	H	α-helix	trans	-60.3	-33.6	177.3	-71.8	-19.5	0	0	0	112.1	D462	D462-D466 WeakPolarHBondContact O-CB 3.42Å; D462-D466 VanDerWaalsContact O-CG 3.24Å; D462-D466 PolarHBondContact O-N 3.21Å
467	K	94.6	Very high	93.7	Very high	170 Å²	170	66.2 Å²	66.2	74%	0.739	33%	0.33	S	S	*	.	H	α-helix	trans	-76.5	-37	178.2	-172.2	177.4	180	-179.1	0	113.6	E463 Y464 Y465	E463-K467 PolarHBondContact O-N 3.35Å; Y464-K467 PolarHBondContact O-N 2.95Å; Y465-K467 PolarHBondContact O-N 3.05Å
468	H	93.2	Very high	93.7	Very high	97 Å²	97	67.6 Å²	67.6	45%	0.449	34%	0.336	S	S	.	.	H	α-helix	trans	-108.9	-35	-170.4	-72.6	-75.5	0	0	0	114.6	Y464 Y465	Y464-H468 AromaticContact CD2-CD2 3.84Å; Y464-H468 AromaticContact CE2-CD2 3.56Å; Y464-H468 AromaticContact CE2-NE2 3.88Å; Y464-H468 AromaticContact CZ-CD2 3.82Å; Y464-H468 PolarHBondContact O-CD2 2.85Å; Y464-H468 PolarHBondContact O-N 2.98Å; Y465-H468 PolarHBondContact O-N 3.15Å
469	F	93.4	Very high	94	Very high	38 Å²	38	66.1 Å²	66.1	17%	0.167	33%	0.328	C	S	.	.			trans	-145.7	69.8	-173.5	-59.7	-79.5	0	0	0	110.8	Y465 E471 F472 F534 V538	Y465-F469 CarbonylContact O-C 3.56Å; Y465-F469 VanDerWaalsContact O-CA 3.31Å; Y465-F469 WeakPolarHBondContact O-CA 3.23Å; Y465-F469 PolarHBondContact O-N 3.1Å; Y465-F469 VanDerWaalsContact O-O 3.12Å; F469-E471 VanDerWaalsContact C-N 3.25Å; F469-E471 PolarHBondContact O-N 2.79Å; F469-F472 HydrophobicContact CB-CB 4.03Å; F469-F472 WeakPolarHBondContact O-CB 3.46Å; F469-F472 PolarHBondContact O-N 3.04Å; F469-F472 VanDerWaalsContact O-N 3.08Å; F469-F534 HydrophobicContact CB-CE1 4.19Å; F469-F534 HydrophobicContact CD1-CD1 4.21Å; F469-F534 HydrophobicContact CD1-CE1 4.36Å; F469-F534 AromaticContact CD2-CD1 3.49Å; F469-F534 HydrophobicContact CD2-CD1 3.49Å; F469-F534 VanDerWaalsContact CD2-CD1 3.49Å; F469-F534 AromaticContact CD2-CE1 3.48Å; F469-F534 HydrophobicContact CD2-CE1 3.48Å; F469-F534 VanDerWaalsContact CD2-CE1 3.48Å; F469-F534 HydrophobicContact CE1-CD1 4.12Å; F469-F534 AromaticContact CE2-CD1 3.39Å; F469-F534 HydrophobicContact CE2-CD1 3.39Å; F469-F534 AromaticContact CE2-CE1 3.92Å; F469-F534 HydrophobicContact CE2-CE1 3.92Å; F469-F534 HydrophobicContact CE2-CG 4.45Å; F469-F534 AromaticContact CG-CD1 3.92Å; F469-F534 HydrophobicContact CG-CD1 3.92Å; F469-F534 AromaticContact CG-CE1 3.74Å; F469-F534 HydrophobicContact CG-CE1 3.74Å; F469-F534 AromaticContact CZ-CD1 3.72Å; F469-F534 HydrophobicContact CZ-CD1 3.72Å; F469-V538 HydrophobicContact CD1-CG2 4.05Å; F469-V538 HydrophobicContact CG-CG2 4.34Å
470	P	91.8	Very high	94.2	Very high	77 Å²	77	59.4 Å²	59.4	50%	0.5	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-29.8	-172.1	25.5	-34.4	0	0	0	113.1	F472	P470-F472 VanDerWaalsContact C-N 3.26Å; P470-F472 PolarHBondContact O-N 3.02Å
471	E	92.7	Very high	94.4	Very high	100 Å²	100	60.7 Å²	60.7	47%	0.467	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-15	177.3	64.5	-90.5	-170.6	0	0	114.4	F469 P474 L475 V538	F469-E471 VanDerWaalsContact C-N 3.25Å; F469-E471 PolarHBondContact O-N 2.79Å; E471-P474 WeakPolarHBondContact O-CD 3.23Å; E471-L475 HydrophobicContact CB-CD1 4.4Å; E471-L475 HydrophobicContact CG-CD1 4.18Å; E471-L475 WeakPolarHBondContact O-CD1 3.01Å; E471-L475 WeakPolarHBondContact O-CG 3.4Å; E471-V538 HydrophobicContact CG-CG1 3.99Å
472	F	95.1	Very high	94.5	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-72	-39	-167.6	174.6	-110.3	0	0	0	114.1	A236 Y465 F469 P470 L475 R476 F534 V538 L541	A236-F472 HydrophobicContact CB-CE2 4.03Å; A236-F472 HydrophobicContact CB-CZ 3.99Å; A236-F472 WeakPolarHBondContact O-CZ 3.45Å; Y465-F472 AromaticContact CD1-CD1 3.84Å; Y465-F472 HydrophobicContact CD1-CD1 3.84Å; Y465-F472 HydrophobicContact CD1-CE1 4.38Å; Y465-F472 HydrophobicContact CD2-CD1 4.12Å; Y465-F472 HydrophobicContact CD2-CE1 4.34Å; Y465-F472 AromaticContact CE1-CD1 3.97Å; Y465-F472 HydrophobicContact CE1-CD1 3.97Å; Y465-F472 HydrophobicContact CE1-CE1 4.06Å; Y465-F472 HydrophobicContact CE2-CD1 4.22Å; Y465-F472 AromaticContact CE2-CE1 4Å; Y465-F472 HydrophobicContact CE2-CE1 4Å; Y465-F472 AromaticContact CG-CD1 3.93Å; Y465-F472 HydrophobicContact CG-CD1 3.93Å; Y465-F472 AromaticContact CZ-CE1 3.85Å; F469-F472 HydrophobicContact CB-CB 4.03Å; F469-F472 WeakPolarHBondContact O-CB 3.46Å; F469-F472 PolarHBondContact O-N 3.04Å; F469-F472 VanDerWaalsContact O-N 3.08Å; P470-F472 VanDerWaalsContact C-N 3.26Å; P470-F472 PolarHBondContact O-N 3.02Å; F472-L475 PolarHBondContact O-N 3.43Å; F472-R476 HydrophobicContact CE2-CB 4.44Å; F472-R476 HydrophobicContact CZ-CB 4.16Å; F472-R476 HydrophobicContact CZ-CG 4.48Å; F472-R476 PolarHBondContact O-N 3.36Å; F472-F534 AromaticContact CD1-CZ 3.9Å; F472-F534 HydrophobicContact CD1-CZ 3.9Å; F472-F534 HydrophobicContact CD2-CZ 4.22Å; F472-F534 AromaticContact CE1-CZ 3.9Å; F472-F534 HydrophobicContact CE1-CZ 3.9Å; F472-F534 HydrophobicContact CE2-CZ 4.22Å; F472-F534 HydrophobicContact CG-CE1 4.44Å; F472-F534 HydrophobicContact CG-CZ 4.07Å; F472-F534 HydrophobicContact CZ-CZ 4.09Å; F472-V538 HydrophobicContact CB-CG2 4.26Å; F472-V538 HydrophobicContact CD2-CG2 3.85Å; F472-V538 HydrophobicContact CG-CG2 4.25Å; F472-L541 HydrophobicContact CE2-CD2 4.18Å
473	V	94.3	Very high	94.7	Very high	29 Å²	29	58.8 Å²	58.8	18%	0.176	29%	0.292	C	S	.	.	H	α-helix	trans	-63.5	-46.4	-175.3	174.9	0	0	0	0	112.1	Y465 R476 T477	Y465-V473 HydrophobicContact CD2-CG2 4.31Å; V473-R476 PolarHBondContact O-N 2.77Å; V473-T477 PolarHBondContact O-N 3.41Å; V473-T477 PolarHBondContact O-OG1 3.44Å; V473-T477 VanDerWaalsContact O-OG1 3.09Å
474	P	95.7	Very high	94.8	Very high	81 Å²	81	57.2 Å²	57.2	53%	0.526	29%	0.285	S	S	.	.	H	α-helix	trans	-59.2	-44.1	172.1	-25.3	34.1	0	0	0	113.2	E471 R476 T477 K478	E471-P474 WeakPolarHBondContact O-CD 3.23Å; P474-R476 PolarHBondContact O-N 3.5Å; P474-T477 PolarHBondContact O-N 3.38Å; P474-T477 VanDerWaalsContact O-N 3.16Å; P474-K478 PolarHBondContact O-N 3.22Å
475	L	96	Very high	94.8	Very high	21 Å²	21	57.7 Å²	57.7	11%	0.11	29%	0.289	C	S	.	.	H	α-helix	trans	-60.2	-44.1	-179.7	-68.2	172.4	0	0	0	111.9	E471 F472 T477 K478 A479 L541 I545	E471-L475 HydrophobicContact CB-CD1 4.4Å; E471-L475 HydrophobicContact CG-CD1 4.18Å; E471-L475 WeakPolarHBondContact O-CD1 3.01Å; E471-L475 WeakPolarHBondContact O-CG 3.4Å; F472-L475 PolarHBondContact O-N 3.43Å; L475-T477 VanDerWaalsContact C-N 3.33Å; L475-T477 PolarHBondContact O-N 2.92Å; L475-K478 PolarHBondContact O-N 2.83Å; L475-A479 WeakPolarHBondContact O-CB 3.5Å; L475-A479 PolarHBondContact O-N 3.12Å; L475-L541 HydrophobicContact CB-CD2 3.87Å; L475-L541 HydrophobicContact CB-CG 4.14Å; L475-I545 HydrophobicContact CD2-CB 3.66Å; L475-I545 HydrophobicContact CD2-CG1 3.9Å; L475-I545 HydrophobicContact CD2-CG2 3.84Å
476	R	95.1	Very high	94.9	Very high	16 Å²	16	58.7 Å²	58.7	6%	0.06	29%	0.294	C	S	.	.	H	α-helix	trans	-60.2	-42.7	176	-179.3	-175.4	67.3	-163.8	-4.1	111.8	A236 L237 D462 F472 V473 P474 A479 K480	A236-R476 WeakPolarHBondContact O-CD 3.45Å; L237-R476 HydrophobicContact CD2-CG 4.41Å; D462-R476 IonicContact OD1-NH2 3.59Å; D462-R476 PolarHBondContact OD1-NH2 3.24Å; F472-R476 HydrophobicContact CE2-CB 4.44Å; F472-R476 HydrophobicContact CZ-CB 4.16Å; F472-R476 HydrophobicContact CZ-CG 4.48Å; F472-R476 PolarHBondContact O-N 3.36Å; V473-R476 PolarHBondContact O-N 2.77Å; P474-R476 PolarHBondContact O-N 3.5Å; R476-A479 PolarHBondContact O-N 3.47Å; R476-K480 WeakPolarHBondContact O-CG 3.2Å; R476-K480 PolarHBondContact O-N 3.03Å; R476-K480 VanDerWaalsContact O-N 3.1Å
477	T	95	Very high	94.9	Very high	81 Å²	81	58.3 Å²	58.3	50%	0.497	29%	0.289	S	S	.	.	H	α-helix	trans	-63.7	-47.4	179.6	-57.5	0	0	0	0	110.7	V473 P474 L475 A479 K480 E481	V473-T477 PolarHBondContact O-N 3.41Å; V473-T477 PolarHBondContact O-OG1 3.44Å; V473-T477 VanDerWaalsContact O-OG1 3.09Å; P474-T477 PolarHBondContact O-N 3.38Å; P474-T477 VanDerWaalsContact O-N 3.16Å; L475-T477 VanDerWaalsContact C-N 3.33Å; L475-T477 PolarHBondContact O-N 2.92Å; T477-A479 PolarHBondContact O-N 3.16Å; T477-K480 PolarHBondContact O-N 3Å; T477-E481 PolarHBondContact O-N 3.41Å
478	K	96.1	Very high	94.8	Very high	67 Å²	67	54.8 Å²	54.8	29%	0.291	28%	0.278	S	S	.	.	H	α-helix	trans	-62.2	-42.5	176.3	-80.3	-75.4	166.1	-154.4	0	112.8	P474 L475 K480 E481 I482 I545	P474-K478 PolarHBondContact O-N 3.22Å; L475-K478 PolarHBondContact O-N 2.83Å; K478-K480 VanDerWaalsContact C-N 3.3Å; K478-K480 PolarHBondContact O-N 2.7Å; K478-E481 WeakPolarHBondContact CD-OE2 3.37Å; K478-E481 WeakPolarHBondContact CE-OE2 3.43Å; K478-E481 IonicContact NZ-OE1 3.4Å; K478-E481 IonicContact NZ-OE2 2.7Å; K478-E481 PolarHBondContact NZ-OE2 2.99Å; K478-E481 WeakPolarHBondContact O-CB 3.34Å; K478-E481 PolarHBondContact O-N 3.43Å; K478-I482 VanDerWaalsContact O-CG1 3.31Å; K478-I482 WeakPolarHBondContact O-CG1 3.46Å; K478-I482 PolarHBondContact O-N 3.03Å; K478-I545 HydrophobicContact CB-CD1 4.29Å; K478-I545 HydrophobicContact CB-CG2 4.13Å
479	A	96	Very high	94.9	Very high	2 Å²	2	51 Å²	51	2%	0.017	26%	0.261	C	S	.	.	H	α-helix	trans	-61.2	-38.4	176.9	0	0	0	0	0	112.6	L475 R476 T477 L483 L541 I545	L475-A479 WeakPolarHBondContact O-CB 3.5Å; L475-A479 PolarHBondContact O-N 3.12Å; R476-A479 PolarHBondContact O-N 3.47Å; T477-A479 PolarHBondContact O-N 3.16Å; A479-L483 VanDerWaalsContact O-CG 3.28Å; A479-L483 WeakPolarHBondContact O-CG 3.38Å; A479-L483 PolarHBondContact O-N 3.4Å; A479-L483 VanDerWaalsContact O-N 3.15Å; A479-L541 HydrophobicContact CB-CD1 3.98Å; A479-I545 HydrophobicContact CB-CD1 4.26Å
480	K	95.2	Very high	94.8	Very high	73 Å²	73	50.1 Å²	50.1	32%	0.317	26%	0.261	S	S	.	.	H	α-helix	trans	-68.3	-41.6	175.6	-74.2	-172.7	176.9	-172.7	0	112.3	L237 R476 T477 K478 L483 Q484	L237-K480 HydrophobicContact CD2-CG 4.06Å; L237-K480 WeakPolarHBondContact O-CE 3.32Å; L237-K480 PolarHBondContact O-NZ 3.38Å; R476-K480 WeakPolarHBondContact O-CG 3.2Å; R476-K480 PolarHBondContact O-N 3.03Å; R476-K480 VanDerWaalsContact O-N 3.1Å; T477-K480 PolarHBondContact O-N 3Å; K478-K480 VanDerWaalsContact C-N 3.3Å; K478-K480 PolarHBondContact O-N 2.7Å; K480-L483 PolarHBondContact O-N 3.41Å; K480-Q484 WeakPolarHBondContact O-CB 3.3Å; K480-Q484 PolarHBondContact O-N 3.22Å
481	E	96.5	Very high	94.8	Very high	74 Å²	74	52.7 Å²	52.7	35%	0.346	27%	0.266	S	S	.	.	H	α-helix	trans	-58.4	-50.2	175.7	-172.3	-179.1	-172.4	0	0	110.8	T477 K478 L483 Q484 E485	T477-E481 PolarHBondContact O-N 3.41Å; K478-E481 WeakPolarHBondContact CD-OE2 3.37Å; K478-E481 WeakPolarHBondContact CE-OE2 3.43Å; K478-E481 IonicContact NZ-OE1 3.4Å; K478-E481 IonicContact NZ-OE2 2.7Å; K478-E481 PolarHBondContact NZ-OE2 2.99Å; K478-E481 WeakPolarHBondContact O-CB 3.34Å; K478-E481 PolarHBondContact O-N 3.43Å; E481-L483 PolarHBondContact O-N 3.33Å; E481-Q484 PolarHBondContact O-N 2.89Å; E481-Q484 VanDerWaalsContact O-N 3.13Å; E481-E485 WeakPolarHBondContact O-CG 3.05Å; E481-E485 PolarHBondContact O-N 2.93Å
482	I	96.4	Very high	94.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.5	-43.5	178.7	-67.4	165.6	0	0	0	112	K478 Q484 E486 T508 V511 A512 L515 I545 Y548	K478-I482 VanDerWaalsContact O-CG1 3.31Å; K478-I482 WeakPolarHBondContact O-CG1 3.46Å; K478-I482 PolarHBondContact O-N 3.03Å; I482-Q484 VanDerWaalsContact C-N 3.3Å; I482-Q484 PolarHBondContact O-N 3.49Å; I482-E486 WeakPolarHBondContact O-CB 3.2Å; I482-E486 PolarHBondContact O-N 2.92Å; I482-T508 HydrophobicContact CG2-CG2 4.32Å; I482-V511 HydrophobicContact CD1-CG1 4.45Å; I482-V511 HydrophobicContact CG2-CG1 4.43Å; I482-A512 HydrophobicContact CG2-CB 3.94Å; I482-L515 HydrophobicContact CB-CD1 4.42Å; I482-L515 HydrophobicContact CG2-CD1 3.99Å; I482-I545 HydrophobicContact CD1-CD1 3.72Å; I482-Y548 HydrophobicContact CD1-CD1 3.69Å; I482-Y548 HydrophobicContact CD1-CD2 3.98Å; I482-Y548 HydrophobicContact CD1-CE1 3.9Å; I482-Y548 HydrophobicContact CD1-CE2 4.17Å; I482-Y548 HydrophobicContact CD1-CG 3.73Å; I482-Y548 HydrophobicContact CG1-CD1 4.37Å; I482-Y548 HydrophobicContact CG1-CD2 4.41Å; I482-Y548 HydrophobicContact CG1-CE1 4.08Å; I482-Y548 HydrophobicContact CG1-CE2 4.1Å
483	L	96	Very high	94.7	Very high	4 Å²	4	53.6 Å²	53.6	2%	0.021	27%	0.274	C	S	.	.	H	α-helix	trans	-68.3	-29.9	179.2	-72.5	170.5	0	0	0	112.6	L237 W450 A479 K480 E481 L515 K516 L520	L237-L483 HydrophobicContact CD1-CD1 4.14Å; W450-L483 HydrophobicContact CB-CD1 4.47Å; W450-L483 HydrophobicContact CG-CD1 4.18Å; A479-L483 VanDerWaalsContact O-CG 3.28Å; A479-L483 WeakPolarHBondContact O-CG 3.38Å; A479-L483 PolarHBondContact O-N 3.4Å; A479-L483 VanDerWaalsContact O-N 3.15Å; K480-L483 PolarHBondContact O-N 3.41Å; E481-L483 PolarHBondContact O-N 3.33Å; L483-L515 HydrophobicContact CD2-CB 4.5Å; L483-K516 HydrophobicContact CD2-CG 4.21Å; L483-L520 HydrophobicContact CD1-CD1 4.13Å; L483-L520 HydrophobicContact CD2-CD1 4.24Å
484	Q	95.6	Very high	94.5	Very high	119 Å²	119	60.2 Å²	60.2	56%	0.556	30%	0.303	S	S	*	.	H	α-helix	trans	-76.6	-46.1	176.5	-173.6	171.2	-4.4	0	0	111.1	K480 E481 I482 E486 E487 D488	K480-Q484 WeakPolarHBondContact O-CB 3.3Å; K480-Q484 PolarHBondContact O-N 3.22Å; E481-Q484 PolarHBondContact O-N 2.89Å; E481-Q484 VanDerWaalsContact O-N 3.13Å; I482-Q484 VanDerWaalsContact C-N 3.3Å; I482-Q484 PolarHBondContact O-N 3.49Å; Q484-E486 PolarHBondContact O-N 3.35Å; Q484-E487 PolarHBondContact O-N 2.66Å; Q484-E487 VanDerWaalsContact O-N 3.16Å; Q484-D488 PolarHBondContact O-N 3.16Å
485	E	95.5	Very high	94.3	Very high	59 Å²	59	63 Å²	63	28%	0.276	31%	0.313	S	S	.	.	H	α-helix	trans	-58.4	-36.3	174.3	-72.2	-176.5	171.5	0	0	111.8	E481 E487 D488 L489 T508	E481-E485 WeakPolarHBondContact O-CG 3.05Å; E481-E485 PolarHBondContact O-N 2.93Å; E485-E487 PolarHBondContact O-N 3.5Å; E485-D488 PolarHBondContact O-N 2.65Å; E485-L489 WeakPolarHBondContact O-CB 3.22Å; E485-L489 WeakPolarHBondContact O-CG 3.26Å; E485-L489 PolarHBondContact O-N 2.73Å; E485-T508 HydrophobicContact CB-CG2 3.83Å
486	E	95.6	Very high	94.1	Very high	21 Å²	21	66.5 Å²	66.5	10%	0.098	34%	0.335	C	S	.	.	H	α-helix	trans	-63.7	-39.2	176.8	-174.4	-104.4	169.5	0	0	113.3	I482 Q484 L489 A490 L509 A512 K516	I482-E486 WeakPolarHBondContact O-CB 3.2Å; I482-E486 PolarHBondContact O-N 2.92Å; Q484-E486 PolarHBondContact O-N 3.35Å; E486-L489 PolarHBondContact O-N 3.46Å; E486-A490 WeakPolarHBondContact O-CB 3.19Å; E486-A490 PolarHBondContact O-N 2.93Å; E486-L509 HydrophobicContact CB-CD2 4.48Å; E486-L509 HydrophobicContact CG-CD2 3.67Å; E486-A512 HydrophobicContact CB-CB 3.51Å; E486-A512 HydrophobicContact CG-CB 3.56Å; E486-K516 IonicContact OE1-NZ 2.75Å; E486-K516 PolarHBondContact OE1-NZ 3.12Å; E486-K516 IonicContact OE2-NZ 3.47Å; E486-K516 PolarHBondContact OE2-NZ 3.09Å
487	E	93.1	Very high	93.8	Very high	96 Å²	96	67.2 Å²	67.2	45%	0.449	35%	0.347	S	S	.	.	H	α-helix	trans	-66	-44.9	178.4	-173.4	69.4	-170.4	0	0	110.5	L451 Q484 E485 L489 A490 E491	L451-E487 HydrophobicContact CD1-CB 4.12Å; L451-E487 HydrophobicContact CD1-CG 3.79Å; Q484-E487 PolarHBondContact O-N 2.66Å; Q484-E487 VanDerWaalsContact O-N 3.16Å; E485-E487 PolarHBondContact O-N 3.5Å; E487-L489 VanDerWaalsContact C-N 3.31Å; E487-L489 PolarHBondContact O-N 2.84Å; E487-A490 PolarHBondContact O-N 3.44Å; E487-E491 PolarHBondContact O-N 3.24Å
488	D	93.3	Very high	93.4	Very high	95 Å²	95	67.9 Å²	67.9	51%	0.508	34%	0.343	S	S	.	.	H	α-helix	trans	-59.4	-43.8	176.6	-66.9	-20.4	0	0	0	110.8	Q484 E485 I492	Q484-D488 PolarHBondContact O-N 3.16Å; E485-D488 PolarHBondContact O-N 2.65Å; D488-I492 WeakPolarHBondContact O-CG1 3.29Å; D488-I492 PolarHBondContact O-N 2.73Å
489	L	94.4	Very high	92.9	Very high	19 Å²	19	69.1 Å²	69.1	10%	0.099	37%	0.366	C	S	.	.	H	α-helix	trans	-70	-35.6	177	-70.3	172.5	0	0	0	112.5	E485 E486 E487 E491 I492 V493 L501 D505 T508 L509	E485-L489 WeakPolarHBondContact O-CB 3.22Å; E485-L489 WeakPolarHBondContact O-CG 3.26Å; E485-L489 PolarHBondContact O-N 2.73Å; E486-L489 PolarHBondContact O-N 3.46Å; E487-L489 VanDerWaalsContact C-N 3.31Å; E487-L489 PolarHBondContact O-N 2.84Å; L489-E491 VanDerWaalsContact C-N 3.29Å; L489-E491 PolarHBondContact O-N 2.89Å; L489-I492 PolarHBondContact O-N 3.41Å; L489-V493 WeakPolarHBondContact O-CG2 3.21Å; L489-V493 PolarHBondContact O-N 3.4Å; L489-L501 HydrophobicContact CD2-CD2 4.27Å; L489-D505 HydrophobicContact CD1-CB 3.82Å; L489-D505 HydrophobicContact CD2-CB 3.89Å; L489-T508 HydrophobicContact CD1-CG2 4.16Å; L489-L509 HydrophobicContact CB-CD2 3.77Å; L489-L509 HydrophobicContact CB-CG 4.36Å; L489-L509 HydrophobicContact CD1-CD2 4.36Å; L489-L509 HydrophobicContact CD1-CG 4.34Å
490	A	91.9	Very high	92.5	Very high	19 Å²	19	73.4 Å²	73.4	16%	0.157	40%	0.395	C	S	.	.	H	α-helix	trans	-64.1	-34.9	179.9	0	0	0	0	0	112	E486 E487 Q494	E486-A490 WeakPolarHBondContact O-CB 3.19Å; E486-A490 PolarHBondContact O-N 2.93Å; E487-A490 PolarHBondContact O-N 3.44Å; A490-Q494 WeakPolarHBondContact O-CG 3.46Å; A490-Q494 PolarHBondContact O-N 3.37Å; A490-Q494 VanDerWaalsContact O-N 3.13Å
491	E	90.8	Very high	92.3	Very high	131 Å²	131	70.9 Å²	70.9	61%	0.612	39%	0.385	S	S	*	.	H	α-helix	trans	-64.2	-46	172.5	-170.5	173.2	-171.1	0	0	111.1	E487 L489 V493 Q494 L495	E487-E491 PolarHBondContact O-N 3.24Å; L489-E491 VanDerWaalsContact C-N 3.29Å; L489-E491 PolarHBondContact O-N 2.89Å; E491-V493 PolarHBondContact O-N 2.84Å; E491-Q494 PolarHBondContact O-N 3.37Å; E491-L495 WeakPolarHBondContact O-CG 3.48Å; E491-L495 PolarHBondContact O-N 3.17Å
492	I	91.8	Very high	92.1	Very high	83 Å²	83	69.7 Å²	69.7	43%	0.426	39%	0.388	S	S	.	.	H	α-helix	trans	-62.4	-42.8	176.9	-60.6	172.9	0	0	0	111.1	D488 L489 Q494 L495 V496	D488-I492 WeakPolarHBondContact O-CG1 3.29Å; D488-I492 PolarHBondContact O-N 2.73Å; L489-I492 PolarHBondContact O-N 3.41Å; I492-Q494 VanDerWaalsContact C-N 3.28Å; I492-Q494 PolarHBondContact O-N 3.07Å; I492-L495 PolarHBondContact O-N 3.32Å; I492-L495 VanDerWaalsContact O-N 3.14Å; I492-V496 HydrophobicContact CG2-CG2 4.45Å; I492-V496 PolarHBondContact O-N 3.47Å
493	V	93.4	Very high	91.8	Very high	36 Å²	36	71 Å²	71	22%	0.218	39%	0.394	C	S	.	.	H	α-helix	trans	-59.6	-39.7	178.3	175.2	0	0	0	0	111.1	L489 E491 L495 G497 K498 L501 L509	L489-V493 WeakPolarHBondContact O-CG2 3.21Å; L489-V493 PolarHBondContact O-N 3.4Å; E491-V493 PolarHBondContact O-N 2.84Å; V493-L495 VanDerWaalsContact C-N 3.29Å; V493-L495 PolarHBondContact O-N 2.95Å; V493-G497 WeakPolarHBondContact O-CA 3.3Å; V493-G497 PolarHBondContact O-N 3.3Å; V493-K498 HydrophobicContact CG1-CB 4.17Å; V493-L501 HydrophobicContact CG2-CD1 3.67Å; V493-L509 HydrophobicContact CG2-CD1 3.8Å
494	Q	90.9	Very high	91.7	Very high	167 Å²	167	72.8 Å²	72.8	78%	0.78	41%	0.405	S	S	*	.	H	α-helix	trans	-67.7	-30.1	178.9	-74	175.6	33.8	0	0	112.6	A490 E491 I492	A490-Q494 WeakPolarHBondContact O-CG 3.46Å; A490-Q494 PolarHBondContact O-N 3.37Å; A490-Q494 VanDerWaalsContact O-N 3.13Å; E491-Q494 PolarHBondContact O-N 3.37Å; I492-Q494 VanDerWaalsContact C-N 3.28Å; I492-Q494 PolarHBondContact O-N 3.07Å
495	L	91.8	Very high	91.6	Very high	139 Å²	139	69.4 Å²	69.4	73%	0.728	39%	0.391	S	S	*	.	H	α-helix	trans	-86.1	-45.7	-179	-66.5	172.9	0	0	0	113.3	E491 I492 V493	E491-L495 WeakPolarHBondContact O-CG 3.48Å; E491-L495 PolarHBondContact O-N 3.17Å; I492-L495 PolarHBondContact O-N 3.32Å; I492-L495 VanDerWaalsContact O-N 3.14Å; V493-L495 VanDerWaalsContact C-N 3.29Å; V493-L495 PolarHBondContact O-N 2.95Å
496	V	91.1	Very high	91.5	Very high	96 Å²	96	68.5 Å²	68.5	58%	0.582	39%	0.387	S	S	*	.	H	α-helix	trans	-107.9	-25.2	-169.1	-175.1	0	0	0	0	112.5	I492	I492-V496 HydrophobicContact CG2-CG2 4.45Å; I492-V496 PolarHBondContact O-N 3.47Å
497	G	88.4	Confident	91.4	Very high	30 Å²	30	67.6 Å²	67.6	31%	0.309	38%	0.382	S	S	.	.			trans	94.5	151.5	-175.7	0	0	0	0	0	113.9	V493 A499	V493-G497 WeakPolarHBondContact O-CA 3.3Å; V493-G497 PolarHBondContact O-N 3.3Å; G497-A499 PolarHBondContact O-N 2.74Å; G497-A499 VanDerWaalsContact O-N 3.16Å
498	K	88.4	Confident	91.6	Very high	96 Å²	96	63.2 Å²	63.2	42%	0.417	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-63.2	-21.1	-174.2	-171.4	173.8	179.9	173.7	0	114.5	V493 S500 L501 E510	V493-K498 HydrophobicContact CG1-CB 4.17Å; K498-S500 VanDerWaalsContact C-N 3.3Å; K498-S500 PolarHBondContact O-N 2.8Å; K498-L501 HydrophobicContact CG-CD1 4.3Å; K498-E510 IonicContact NZ-OE1 3.11Å; K498-E510 PolarHBondContact NZ-OE1 2.83Å
499	A	85.7	Confident	91.6	Very high	93 Å²	93	59.6 Å²	59.6	77%	0.769	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-69.1	-27.5	-173.9	0	0	0	0	0	113.5	G497 L501	G497-A499 PolarHBondContact O-N 2.74Å; G497-A499 VanDerWaalsContact O-N 3.16Å; A499-L501 VanDerWaalsContact C-N 3.35Å
500	S	87.3	Confident	91.6	Very high	91 Å²	91	60.6 Å²	60.6	64%	0.636	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-88.5	1.1	-172.8	-53.4	0	0	0	0	114.3	K498	K498-S500 VanDerWaalsContact C-N 3.3Å; K498-S500 PolarHBondContact O-N 2.8Å
501	L	90.8	Very high	91.8	Very high	20 Å²	20	59.8 Å²	59.8	11%	0.105	34%	0.34	C	S	.	.	S	Bend	trans	-79.1	151.7	-176.7	-69	173.5	0	0	0	112.8	L489 V493 K498 A499 D505 K506 L509	L489-L501 HydrophobicContact CD2-CD2 4.27Å; V493-L501 HydrophobicContact CG2-CD1 3.67Å; K498-L501 HydrophobicContact CG-CD1 4.3Å; A499-L501 VanDerWaalsContact C-N 3.35Å; L501-D505 HydrophobicContact CB-CB 4.25Å; L501-D505 HydrophobicContact CD2-CB 4.29Å; L501-K506 HydrophobicContact CB-CG 4.13Å; L501-K506 VanDerWaalsContact O-CE 3.29Å; L501-K506 WeakPolarHBondContact O-CE 3.43Å; L501-L509 HydrophobicContact CD1-CD1 3.54Å
502	A	91.5	Very high	92	Very high	49 Å²	49	53.5 Å²	53.5	41%	0.405	31%	0.311	S	S	.	.			trans	-66.1	158.9	168.4	0	0	0	0	0	111	T504 D505 K506	A502-T504 VanDerWaalsContact C-N 3.29Å; A502-T504 PolarHBondContact O-N 3.06Å; A502-D505 PolarHBondContact N-OD2 2.84Å; A502-D505 PolarHBondContact O-N 3.05Å; A502-K506 WeakPolarHBondContact O-CG 3.49Å; A502-K506 PolarHBondContact O-N 3.47Å; A502-K506 VanDerWaalsContact O-N 3.1Å
503	E	91.3	Very high	92.2	Very high	28 Å²	28	54.8 Å²	54.8	13%	0.131	31%	0.313	C	S	.	.	H	α-helix	trans	-65.9	-32.6	179.5	-67.3	-59.4	128.3	0	0	112.2	K506 I507 V555 T566 W567	E503-K506 PolarHBondContact O-N 3.26Å; E503-K506 IonicContact OE1-NZ 2.83Å; E503-K506 PolarHBondContact OE1-NZ 2.82Å; E503-I507 WeakPolarHBondContact O-CG1 3.43Å; E503-I507 PolarHBondContact O-N 2.71Å; E503-I507 VanDerWaalsContact O-N 3.09Å; E503-V555 HydrophobicContact CB-CG1 3.71Å; E503-T566 HydrophobicContact CG-CG2 4.5Å; E503-W567 PolarHBondContact OE2-N 3.25Å
504	T	92.8	Very high	92.3	Very high	41 Å²	41	54.1 Å²	54.1	25%	0.252	31%	0.308	S	S	.	.	H	α-helix	trans	-61	-45.5	172.8	48.3	0	0	0	0	111.6	A502 K506 I507 T508 E556	A502-T504 VanDerWaalsContact C-N 3.29Å; A502-T504 PolarHBondContact O-N 3.06Å; T504-K506 VanDerWaalsContact C-N 3.31Å; T504-K506 PolarHBondContact O-N 3.13Å; T504-I507 WeakPolarHBondContact O-CB 3.44Å; T504-I507 PolarHBondContact O-N 2.81Å; T504-I507 VanDerWaalsContact O-N 3.13Å; T504-T508 PolarHBondContact O-N 3.39Å; T504-T508 PolarHBondContact O-OG1 3.37Å; T504-E556 HydrophobicContact CG2-CG 4.24Å
505	D	94.1	Very high	92.5	Very high	49 Å²	49	46.2 Å²	46.2	26%	0.262	27%	0.271	S	S	.	.	H	α-helix	trans	-66.5	-37.4	-178.9	-53.4	-13.4	0	0	0	110.7	L489 L501 A502 I507 T508 L509	L489-D505 HydrophobicContact CD1-CB 3.82Å; L489-D505 HydrophobicContact CD2-CB 3.89Å; L501-D505 HydrophobicContact CB-CB 4.25Å; L501-D505 HydrophobicContact CD2-CB 4.29Å; A502-D505 PolarHBondContact N-OD2 2.84Å; A502-D505 PolarHBondContact O-N 3.05Å; D505-I507 VanDerWaalsContact C-N 3.33Å; D505-I507 PolarHBondContact O-N 3.16Å; D505-T508 PolarHBondContact O-N 2.89Å; D505-L509 WeakPolarHBondContact O-CG 3.44Å; D505-L509 PolarHBondContact O-N 3.42Å
506	K	92.8	Very high	92.6	Very high	40 Å²	40	41.4 Å²	41.4	17%	0.174	24%	0.244	C	C	.	.	H	α-helix	trans	-61.7	-40.9	173.5	-69.6	173.2	-167.5	169.6	0	111.6	L501 A502 E503 T504 E510 W567	L501-K506 HydrophobicContact CB-CG 4.13Å; L501-K506 VanDerWaalsContact O-CE 3.29Å; L501-K506 WeakPolarHBondContact O-CE 3.43Å; A502-K506 WeakPolarHBondContact O-CG 3.49Å; A502-K506 PolarHBondContact O-N 3.47Å; A502-K506 VanDerWaalsContact O-N 3.1Å; E503-K506 PolarHBondContact O-N 3.26Å; E503-K506 IonicContact OE1-NZ 2.83Å; E503-K506 PolarHBondContact OE1-NZ 2.82Å; T504-K506 VanDerWaalsContact C-N 3.31Å; T504-K506 PolarHBondContact O-N 3.13Å; K506-E510 WeakPolarHBondContact O-CG 3.39Å; K506-E510 PolarHBondContact O-N 2.68Å; K506-W567 HydrophobicContact CB-CB 4.44Å
507	I	94.4	Very high	92.8	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-63.1	-48.3	174.7	-68.4	163.8	0	0	0	110.1	E503 T504 D505 L509 E510 V511 Y548 A551 V555 W567	E503-I507 WeakPolarHBondContact O-CG1 3.43Å; E503-I507 PolarHBondContact O-N 2.71Å; E503-I507 VanDerWaalsContact O-N 3.09Å; T504-I507 WeakPolarHBondContact O-CB 3.44Å; T504-I507 PolarHBondContact O-N 2.81Å; T504-I507 VanDerWaalsContact O-N 3.13Å; D505-I507 VanDerWaalsContact C-N 3.33Å; D505-I507 PolarHBondContact O-N 3.16Å; I507-L509 VanDerWaalsContact C-N 3.32Å; I507-L509 PolarHBondContact O-N 3.32Å; I507-E510 PolarHBondContact O-N 3.48Å; I507-V511 HydrophobicContact CG2-CG2 4.06Å; I507-V511 WeakPolarHBondContact O-CB 3.41Å; I507-V511 WeakPolarHBondContact O-CG2 3.46Å; I507-V511 PolarHBondContact O-N 2.99Å; I507-Y548 HydrophobicContact CG2-CD2 4.13Å; I507-Y548 HydrophobicContact CG2-CE2 4.39Å; I507-A551 HydrophobicContact CD1-CB 4.28Å; I507-A551 HydrophobicContact CG2-CB 4.07Å; I507-V555 HydrophobicContact CD1-CB 4.1Å; I507-V555 HydrophobicContact CD1-CG2 3.58Å; I507-W567 HydrophobicContact CG1-CB 4.47Å; I507-W567 HydrophobicContact CG1-CD2 4.46Å; I507-W567 HydrophobicContact CG1-CE3 3.81Å
508	T	95.7	Very high	93	Very high	4 Å²	4	39.2 Å²	39.2	3%	0.025	22%	0.222	C	C	.	.	H	α-helix	trans	-55.5	-46.4	178.2	-61.6	0	0	0	0	111.3	I482 E485 L489 T504 D505 E510 A512	I482-T508 HydrophobicContact CG2-CG2 4.32Å; E485-T508 HydrophobicContact CB-CG2 3.83Å; L489-T508 HydrophobicContact CD1-CG2 4.16Å; T504-T508 PolarHBondContact O-N 3.39Å; T504-T508 PolarHBondContact O-OG1 3.37Å; D505-T508 PolarHBondContact O-N 2.89Å; T508-E510 PolarHBondContact O-N 3.01Å; T508-A512 WeakPolarHBondContact O-CB 3.35Å; T508-A512 PolarHBondContact O-N 3Å
509	L	94.7	Very high	93.4	Very high	20 Å²	20	34.8 Å²	34.8	11%	0.105	20%	0.203	C	C	.	.	H	α-helix	trans	-60.9	-41.7	177.9	-71.2	179.8	0	0	0	113.3	E486 L489 V493 L501 D505 I507 K513	E486-L509 HydrophobicContact CB-CD2 4.48Å; E486-L509 HydrophobicContact CG-CD2 3.67Å; L489-L509 HydrophobicContact CB-CD2 3.77Å; L489-L509 HydrophobicContact CB-CG 4.36Å; L489-L509 HydrophobicContact CD1-CD2 4.36Å; L489-L509 HydrophobicContact CD1-CG 4.34Å; V493-L509 HydrophobicContact CG2-CD1 3.8Å; L501-L509 HydrophobicContact CD1-CD1 3.54Å; D505-L509 WeakPolarHBondContact O-CG 3.44Å; D505-L509 PolarHBondContact O-N 3.42Å; I507-L509 VanDerWaalsContact C-N 3.32Å; I507-L509 PolarHBondContact O-N 3.32Å; L509-K513 WeakPolarHBondContact O-CB 3.44Å; L509-K513 PolarHBondContact O-N 3.22Å
510	E	94.2	Very high	93.8	Very high	40 Å²	40	30.5 Å²	30.5	19%	0.187	17%	0.167	C	C	.	.	H	α-helix	trans	-77.5	-37.7	-176.6	-64.7	-73.9	168.6	0	0	112	K498 K506 I507 T508 K513 L514 W567	K498-E510 IonicContact NZ-OE1 3.11Å; K498-E510 PolarHBondContact NZ-OE1 2.83Å; K506-E510 WeakPolarHBondContact O-CG 3.39Å; K506-E510 PolarHBondContact O-N 2.68Å; I507-E510 PolarHBondContact O-N 3.48Å; T508-E510 PolarHBondContact O-N 3.01Å; E510-K513 WeakPolarHBondContact O-CB 3.23Å; E510-K513 PolarHBondContact O-N 2.91Å; E510-L514 PolarHBondContact O-N 3.08Å; E510-W567 HydrophobicContact CB-CH2 3.91Å; E510-W567 HydrophobicContact CB-CZ2 3.46Å; E510-W567 VanDerWaalsContact CB-CZ2 3.46Å; E510-W567 HydrophobicContact CG-CZ2 3.61Å
511	V	96	Very high	94.2	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.006	15%	0.151	C	C	.	.	H	α-helix	trans	-67.9	-40.8	172.5	172.3	0	0	0	0	111.1	I482 I507 K513 L514 L515 I544 F547 Y548	I482-V511 HydrophobicContact CD1-CG1 4.45Å; I482-V511 HydrophobicContact CG2-CG1 4.43Å; I507-V511 HydrophobicContact CG2-CG2 4.06Å; I507-V511 WeakPolarHBondContact O-CB 3.41Å; I507-V511 WeakPolarHBondContact O-CG2 3.46Å; I507-V511 PolarHBondContact O-N 2.99Å; V511-K513 VanDerWaalsContact C-N 3.27Å; V511-K513 PolarHBondContact O-N 3.31Å; V511-L514 WeakPolarHBondContact O-CA 3.48Å; V511-L514 WeakPolarHBondContact O-CB 3.31Å; V511-L514 PolarHBondContact O-N 3.43Å; V511-L514 VanDerWaalsContact O-N 3.12Å; V511-L515 PolarHBondContact O-N 3.34Å; V511-I544 HydrophobicContact CG1-CG2 4.09Å; V511-F547 HydrophobicContact CG2-CD1 4Å; V511-F547 HydrophobicContact CG2-CE1 4.06Å; V511-Y548 HydrophobicContact CB-CD2 4.02Å; V511-Y548 HydrophobicContact CG1-CD2 3.94Å; V511-Y548 HydrophobicContact CG1-CG 4.26Å; V511-Y548 HydrophobicContact CG2-CD2 3.97Å
512	A	95.9	Very high	94.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.2	-37.6	174.3	0	0	0	0	0	111.5	I482 E486 T508 L515 K516	I482-A512 HydrophobicContact CG2-CB 3.94Å; E486-A512 HydrophobicContact CB-CB 3.51Å; E486-A512 HydrophobicContact CG-CB 3.56Å; T508-A512 WeakPolarHBondContact O-CB 3.35Å; T508-A512 PolarHBondContact O-N 3Å; A512-L515 PolarHBondContact O-N 3.44Å; A512-K516 WeakPolarHBondContact O-CG 3.41Å; A512-K516 PolarHBondContact O-N 3.2Å
513	K	94.8	Very high	94.3	Very high	110 Å²	110	29.8 Å²	29.8	48%	0.478	15%	0.147	S	C	.	.	H	α-helix	trans	-61.9	-44.5	171	-174.1	-176.4	174.8	-169.2	0	111.7	L509 E510 V511 L515 K516 D517	L509-K513 WeakPolarHBondContact O-CB 3.44Å; L509-K513 PolarHBondContact O-N 3.22Å; E510-K513 WeakPolarHBondContact O-CB 3.23Å; E510-K513 PolarHBondContact O-N 2.91Å; V511-K513 VanDerWaalsContact C-N 3.27Å; V511-K513 PolarHBondContact O-N 3.31Å; K513-L515 VanDerWaalsContact C-N 3.33Å; K513-L515 PolarHBondContact O-N 2.9Å; K513-K516 PolarHBondContact O-N 3.21Å; K513-K516 VanDerWaalsContact O-N 3.14Å; K513-D517 WeakPolarHBondContact CE-OD2 3.4Å; K513-D517 PolarHBondContact O-N 3.12Å
514	L	95.4	Very high	94.1	Very high	21 Å²	21	29.5 Å²	29.5	11%	0.11	15%	0.151	C	C	.	.	H	α-helix	trans	-58.4	-44.5	175	-169	73.5	0	0	0	111.4	E510 V511 K516 D518 I544 L581 S582	E510-L514 PolarHBondContact O-N 3.08Å; V511-L514 WeakPolarHBondContact O-CA 3.48Å; V511-L514 WeakPolarHBondContact O-CB 3.31Å; V511-L514 PolarHBondContact O-N 3.43Å; V511-L514 VanDerWaalsContact O-N 3.12Å; L514-K516 PolarHBondContact O-N 2.98Å; L514-D518 WeakPolarHBondContact CD1-OD2 3.22Å; L514-D518 WeakPolarHBondContact O-CB 3.46Å; L514-D518 PolarHBondContact O-N 2.94Å; L514-I544 HydrophobicContact CD2-CG1 4.12Å; L514-I544 HydrophobicContact CD2-CG2 4.2Å; L514-L581 HydrophobicContact CD2-CB 4.39Å; L514-L581 HydrophobicContact CD2-CD1 4.3Å; L514-S582 WeakPolarHBondContact CD1-OG 3.37Å
515	L	95.8	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	-59.5	-43.9	173.9	-75.6	171.4	0	0	0	111.7	I482 L483 V511 A512 K513 F519 L520 L541 I544	I482-L515 HydrophobicContact CB-CD1 4.42Å; I482-L515 HydrophobicContact CG2-CD1 3.99Å; L483-L515 HydrophobicContact CD2-CB 4.5Å; V511-L515 PolarHBondContact O-N 3.34Å; A512-L515 PolarHBondContact O-N 3.44Å; K513-L515 VanDerWaalsContact C-N 3.33Å; K513-L515 PolarHBondContact O-N 2.9Å; L515-F519 HydrophobicContact CD2-CB 4.16Å; L515-F519 HydrophobicContact CD2-CD1 4.48Å; L515-F519 HydrophobicContact CD2-CG 4.43Å; L515-F519 CarbonylContact O-C 3.59Å; L515-F519 WeakPolarHBondContact O-CA 3.41Å; L515-F519 VanDerWaalsContact O-CB 3.29Å; L515-F519 WeakPolarHBondContact O-CB 3.46Å; L515-F519 PolarHBondContact O-N 2.98Å; L515-L520 PolarHBondContact O-N 3.43Å; L515-L541 HydrophobicContact CD2-CD1 3.91Å; L515-I544 HydrophobicContact CD2-CB 4.3Å; L515-I544 HydrophobicContact CD2-CD1 4.09Å; L515-I544 HydrophobicContact CD2-CG2 3.6Å; L515-I544 HydrophobicContact CG-CG2 3.85Å
516	K	94.6	Very high	93.5	Very high	38 Å²	38	35.1 Å²	35.1	17%	0.165	17%	0.168	C	C	.	.	I	π-helix	trans	-65.9	-44.9	-179.1	-74.5	-177.2	-65.4	-166.9	0	113.2	H444 W450 L483 E486 A512 K513 L514 L520 Q521	H444-K516 PolarHBondContact NE2-O 3.23Å; W450-K516 HydrophobicContact CH2-CD 3.62Å; W450-K516 HydrophobicContact CH2-CG 3.87Å; W450-K516 HydrophobicContact CZ2-CD 3.48Å; W450-K516 VanDerWaalsContact CZ2-CD 3.48Å; W450-K516 HydrophobicContact CZ2-CG 3.97Å; L483-K516 HydrophobicContact CD2-CG 4.21Å; E486-K516 IonicContact OE1-NZ 2.75Å; E486-K516 PolarHBondContact OE1-NZ 3.12Å; E486-K516 IonicContact OE2-NZ 3.47Å; E486-K516 PolarHBondContact OE2-NZ 3.09Å; A512-K516 WeakPolarHBondContact O-CG 3.41Å; A512-K516 PolarHBondContact O-N 3.2Å; K513-K516 PolarHBondContact O-N 3.21Å; K513-K516 VanDerWaalsContact O-N 3.14Å; L514-K516 PolarHBondContact O-N 2.98Å; K516-L520 HydrophobicContact CG-CD1 4.18Å; K516-Q521 WeakPolarHBondContact O-CB 3.43Å; K516-Q521 PolarHBondContact O-N 3.5Å
517	D	93.3	Very high	93.2	Very high	64 Å²	64	37 Å²	37	34%	0.342	18%	0.184	S	C	.	.	I	π-helix	trans	-84.2	-32.3	-172.4	-66.5	-14.6	0	0	0	112.6	K513 K585	K513-D517 WeakPolarHBondContact CE-OD2 3.4Å; K513-D517 PolarHBondContact O-N 3.12Å; D517-K585 PolarHBondContact O-NZ 3.24Å
518	D	94.1	Very high	93	Very high	15 Å²	15	39.5 Å²	39.5	8%	0.08	19%	0.194	C	C	.	.	I	π-helix	trans	-109.3	-32.6	-173.5	-64.6	-41.4	0	0	0	114.6	R232 L514 S582 K585	R232-D518 PolarHBondContact NH1-O 2.9Å; L514-D518 WeakPolarHBondContact CD1-OD2 3.22Å; L514-D518 WeakPolarHBondContact O-CB 3.46Å; L514-D518 PolarHBondContact O-N 2.94Å; D518-S582 WeakPolarHBondContact OD2-CA 3.43Å; D518-S582 WeakPolarHBondContact OD2-CB 3.28Å; D518-S582 PolarHBondContact OD2-OG 3.39Å; D518-K585 IonicContact OD1-NZ 2.81Å; D518-K585 PolarHBondContact OD1-NZ 3.48Å
519	F	95.7	Very high	92.7	Very high	3 Å²	3	39.6 Å²	39.6	1%	0.013	19%	0.194	C	C	.	.	I	π-helix	trans	-96.6	-52.8	-179.6	-175.7	-102.8	0	0	0	112.8	R232 A236 L515 T537 I540 L541 I544	R232-F519 HydrophobicContact CB-CE2 4.41Å; R232-F519 HydrophobicContact CB-CZ 4.38Å; R232-F519 WeakPolarHBondContact CD-O 3.46Å; R232-F519 PolarHBondContact NE-O 2.87Å; A236-F519 HydrophobicContact CB-CE1 4.15Å; A236-F519 HydrophobicContact CB-CZ 3.8Å; L515-F519 HydrophobicContact CD2-CB 4.16Å; L515-F519 HydrophobicContact CD2-CD1 4.48Å; L515-F519 HydrophobicContact CD2-CG 4.43Å; L515-F519 CarbonylContact O-C 3.59Å; L515-F519 WeakPolarHBondContact O-CA 3.41Å; L515-F519 VanDerWaalsContact O-CB 3.29Å; L515-F519 WeakPolarHBondContact O-CB 3.46Å; L515-F519 PolarHBondContact O-N 2.98Å; F519-T537 HydrophobicContact CE2-CG2 3.77Å; F519-T537 WeakPolarHBondContact CE2-O 3.45Å; F519-T537 HydrophobicContact CZ-CG2 3.74Å; F519-I540 HydrophobicContact CD2-CB 4.27Å; F519-I540 HydrophobicContact CD2-CG2 3.72Å; F519-L541 HydrophobicContact CD1-CD1 4.33Å; F519-L541 HydrophobicContact CD2-CB 4.5Å; F519-L541 HydrophobicContact CD2-CD1 4.43Å; F519-L541 HydrophobicContact CE1-CD1 4.11Å; F519-L541 HydrophobicContact CE2-CB 3.89Å; F519-L541 HydrophobicContact CE2-CD1 4.21Å; F519-L541 HydrophobicContact CG-CD1 4.49Å; F519-L541 HydrophobicContact CZ-CB 4.19Å; F519-L541 HydrophobicContact CZ-CD1 4.04Å; F519-L541 HydrophobicContact CZ-CD2 4.24Å; F519-L541 HydrophobicContact CZ-CG 4.4Å; F519-I544 HydrophobicContact CB-CD1 4.2Å
520	L	95.3	Very high	92.4	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.016	21%	0.208	C	C	.	.	I	π-helix	trans	-76.9	-36.7	-175.1	-61	-178.2	0	0	0	112.7	V233 L237 W450 L483 L515 K516	V233-L520 HydrophobicContact CB-CD2 3.99Å; V233-L520 HydrophobicContact CG2-CD2 3.85Å; L237-L520 HydrophobicContact CD1-CD2 3.85Å; W450-L520 HydrophobicContact CD2-CD1 3.9Å; W450-L520 HydrophobicContact CE3-CD1 3.56Å; W450-L520 HydrophobicContact CG-CD1 4.47Å; W450-L520 HydrophobicContact CH2-CD1 4.48Å; W450-L520 HydrophobicContact CZ3-CD1 3.88Å; L483-L520 HydrophobicContact CD1-CD1 4.13Å; L483-L520 HydrophobicContact CD2-CD1 4.24Å; L515-L520 PolarHBondContact O-N 3.43Å; K516-L520 HydrophobicContact CG-CD1 4.18Å
521	Q	94.4	Very high	92.2	Very high	65 Å²	65	44.9 Å²	44.9	30%	0.304	21%	0.213	S	C	.	.			trans	-74.9	131.7	177.1	-161.8	174.7	8.7	0	0	110.4	R232 K443 F445 K516	R232-Q521 PolarHBondContact NH2-O 3.45Å; K443-Q521 PolarHBondContact O-NE2 3.41Å; F445-Q521 CarbonylContact O-C 3.55Å; F445-Q521 WeakPolarHBondContact O-CA 3.25Å; F445-Q521 WeakPolarHBondContact O-CG 3.49Å; K516-Q521 WeakPolarHBondContact O-CB 3.43Å; K516-Q521 PolarHBondContact O-N 3.5Å
522	Q	94	Very high	92.1	Very high	5 Å²	5	44.9 Å²	44.9	2%	0.023	21%	0.213	C	C	.	.			trans	-144	129.2	-179.7	-172.9	170.6	-23.5	0	0	110.6	G230 F445 D529	G230-Q522 PolarHBondContact O-NE2 2.93Å; F445-Q522 PolarHBondContact O-N 3.11Å; F445-Q522 VanDerWaalsContact O-O 3.13Å; Q522-D529 HydrophobicContact CG-CB 4.13Å; Q522-D529 WeakPolarHBondContact CG-O 3.27Å; Q522-D529 PolarHBondContact NE2-O 2.93Å
523	N	91.6	Very high	92	Very high	76 Å²	76	45.5 Å²	45.5	41%	0.406	22%	0.217	S	C	.	.			trans	-96.6	101.2	-179.4	-170.7	-10	0	0	0	111.6	Y525 T526 D529	N523-Y525 PolarHBondContact O-N 2.66Å; N523-Y525 VanDerWaalsContact O-N 3.09Å; N523-Y525 PolarHBondContact OD1-N 2.85Å; N523-T526 HydrophobicContact CB-CG2 4.01Å; N523-T526 WeakPolarHBondContact ND2-CG2 3.12Å; N523-T526 PolarHBondContact O-N 3.39Å; N523-T526 PolarHBondContact O-OG1 2.85Å; N523-D529 CarbonylContact O-C 3.6Å
524	G	85.9	Confident	92	Very high	21 Å²	21	41.1 Å²	41.1	22%	0.216	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-16.2	-179	0	0	0	0	0	116.2	R530	G524-R530 VanDerWaalsContact O-CB 3.28Å; G524-R530 WeakPolarHBondContact O-CB 3.39Å
525	Y	85.4	Confident	91.9	Very high	188 Å²	188	42 Å²	42	74%	0.737	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-13.6	-178.8	-57.5	-65.9	0	0	0	113.9	N523	N523-Y525 PolarHBondContact O-N 2.66Å; N523-Y525 VanDerWaalsContact O-N 3.09Å; N523-Y525 PolarHBondContact OD1-N 2.85Å
526	T	89.9	Confident	91.9	Very high	21 Å²	21	41.9 Å²	41.9	13%	0.129	20%	0.2	C	C	.	.	S	Bend	trans	-86.8	149.2	-177.6	59	0	0	0	0	111.5	N523 Y528 D529 R530	N523-T526 HydrophobicContact CB-CG2 4.01Å; N523-T526 WeakPolarHBondContact ND2-CG2 3.12Å; N523-T526 PolarHBondContact O-N 3.39Å; N523-T526 PolarHBondContact O-OG1 2.85Å; T526-Y528 VanDerWaalsContact C-N 3.3Å; T526-Y528 HydrophobicContact CG2-CE1 4.24Å; T526-Y528 PolarHBondContact O-N 2.96Å; T526-D529 VanDerWaalsContact OG1-CB 3.31Å; T526-D529 WeakPolarHBondContact OG1-CB 3.39Å; T526-D529 PolarHBondContact OG1-N 2.82Å; T526-R530 WeakPolarHBondContact O-CB 3.39Å; T526-R530 WeakPolarHBondContact O-CG 3.29Å; T526-R530 PolarHBondContact O-N 2.6Å
527	P	86.7	Confident	91.9	Very high	78 Å²	78	40 Å²	40	51%	0.506	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-32.2	-175.8	23.6	-32.9	0	0	0	113.7	R530	P527-R530 PolarHBondContact O-NE 2.9Å
528	Y	88.7	Confident	92.1	Very high	55 Å²	55	37.2 Å²	37.2	22%	0.216	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-25.9	-174.7	57.4	-97.8	0	0	0	114.5	T526 K536 K585 F586	T526-Y528 VanDerWaalsContact C-N 3.3Å; T526-Y528 HydrophobicContact CG2-CE1 4.24Å; T526-Y528 PolarHBondContact O-N 2.96Å; Y528-K536 PolarHBondContact O-NZ 2.78Å; Y528-K585 WeakPolarHBondContact CD2-O 3.33Å; Y528-F586 HydrophobicContact CD2-CD1 4.37Å; Y528-F586 HydrophobicContact CE1-CD1 4.19Å; Y528-F586 AromaticContact CE2-CD1 3.62Å; Y528-F586 HydrophobicContact CE2-CD1 3.62Å; Y528-F586 HydrophobicContact CE2-CE1 4.16Å; Y528-F586 AromaticContact CZ-CD1 3.53Å; Y528-F586 AromaticContact CZ-CE1 3.95Å; Y528-F586 WeakPolarHBondContact OH-CE1 3.34Å
529	D	90.1	Very high	92.1	Very high	5 Å²	5	37 Å²	37	3%	0.027	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111	-2	-177.6	-95.7	-4.1	0	0	0	112.8	R232 Q522 N523 T526 F531 K536	R232-D529 IonicContact CZ-OD1 3.5Å; R232-D529 IonicContact NH2-OD1 2.6Å; R232-D529 IonicContact NH2-OD2 2.66Å; R232-D529 PolarHBondContact NH2-OD2 3.29Å; Q522-D529 HydrophobicContact CG-CB 4.13Å; Q522-D529 WeakPolarHBondContact CG-O 3.27Å; Q522-D529 PolarHBondContact NE2-O 2.93Å; N523-D529 CarbonylContact O-C 3.6Å; T526-D529 VanDerWaalsContact OG1-CB 3.31Å; T526-D529 WeakPolarHBondContact OG1-CB 3.39Å; T526-D529 PolarHBondContact OG1-N 2.82Å; D529-F531 PolarHBondContact O-N 3.42Å; D529-K536 IonicContact OD1-NZ 2.68Å
530	R	88.9	Confident	92.1	Very high	106 Å²	106	37 Å²	37	40%	0.4	18%	0.178	S	C	.	.	S	Bend	trans	-60.5	-32.2	172.6	65.9	-170.9	179	155.1	3.2	113.4	Y266 G524 T526 P527	Y266-R530 WeakPolarHBondContact CD2-O 3.44Å; Y266-R530 HydrophobicContact CE1-CG 4.32Å; Y266-R530 HydrophobicContact CE2-CB 4.25Å; Y266-R530 WeakPolarHBondContact CE2-O 3.38Å; Y266-R530 WeakPolarHBondContact OH-CB 3.46Å; Y266-R530 WeakPolarHBondContact OH-CD 3.43Å; Y266-R530 WeakPolarHBondContact OH-CG 3.32Å; G524-R530 VanDerWaalsContact O-CB 3.28Å; G524-R530 WeakPolarHBondContact O-CB 3.39Å; T526-R530 WeakPolarHBondContact O-CB 3.39Å; T526-R530 WeakPolarHBondContact O-CG 3.29Å; T526-R530 PolarHBondContact O-N 2.6Å; P527-R530 PolarHBondContact O-NE 2.9Å
531	F	90.4	Very high	92.1	Very high	65 Å²	65	36.9 Å²	36.9	29%	0.285	18%	0.178	S	C	.	.	S	Bend	trans	-141.6	122.7	177.5	173.1	-114.2	0	0	0	109	G230 Y266 D529 P533	G230-F531 VanDerWaalsContact CA-CD2 3.49Å; Y266-F531 VanDerWaalsContact CB-CD2 3.47Å; Y266-F531 HydrophobicContact CD1-CB 3.74Å; Y266-F531 HydrophobicContact CD1-CD2 4.24Å; Y266-F531 HydrophobicContact CD1-CG 4.13Å; Y266-F531 HydrophobicContact CD2-CB 4.33Å; Y266-F531 HydrophobicContact CE1-CB 4.06Å; Y266-F531 HydrophobicContact CG-CB 3.9Å; Y266-F531 AromaticContact CG-CD2 3.91Å; Y266-F531 HydrophobicContact CG-CD2 3.91Å; Y266-F531 HydrophobicContact CG-CG 4.21Å; D529-F531 PolarHBondContact O-N 3.42Å; F531-P533 HydrophobicContact CD1-CG 4.17Å; F531-P533 HydrophobicContact CE1-CB 4.41Å; F531-P533 HydrophobicContact CE1-CG 3.8Å
532	C	93.3	Very high	92.2	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.007	17%	0.174	C	C	.	.			trans	-107.8	111	174.8	-169.3	0	0	0	0	109.5	G230 R232 T537	G230-C532 PolarHBondContact O-N 2.98Å; R232-C532 HydrophobicContact CG-CB 3.8Å; R232-C532 VanDerWaalsContact CG-SG 3.56Å; C532-T537 PolarHBondContact SG-OG1 3.09Å
533	P	93.6	Very high	92.3	Very high	14 Å²	14	35.3 Å²	35.3	9%	0.091	17%	0.174	C	C	.	.			trans	-58.7	155.1	171.9	-24	33.4	0	0	0	112.2	F531 Y535 K536 T537 P589	F531-P533 HydrophobicContact CD1-CG 4.17Å; F531-P533 HydrophobicContact CE1-CB 4.41Å; F531-P533 HydrophobicContact CE1-CG 3.8Å; P533-Y535 HydrophobicContact CB-CD1 3.72Å; P533-Y535 HydrophobicContact CB-CE1 3.26Å; P533-Y535 HydrophobicContact CB-CE2 4.34Å; P533-Y535 HydrophobicContact CB-CG 4.42Å; P533-Y535 HydrophobicContact CG-CE1 3.94Å; P533-Y535 PolarHBondContact O-N 2.97Å; P533-K536 WeakPolarHBondContact O-CB 3.48Å; P533-K536 PolarHBondContact O-N 3.4Å; P533-K536 VanDerWaalsContact O-N 3.17Å; P533-T537 PolarHBondContact O-N 3.07Å; P533-T537 VanDerWaalsContact O-N 3.1Å; P533-T537 PolarHBondContact O-OG1 3.16Å; P533-T537 VanDerWaalsContact O-OG1 3.13Å; P533-P589 HydrophobicContact CG-CB 3.6Å; P533-P589 HydrophobicContact CG-CG 4.16Å
534	F	94.4	Very high	92.6	Very high	17 Å²	17	31.8 Å²	31.8	8%	0.075	16%	0.155	C	C	.	.	H	α-helix	trans	-64.8	-39	-175	-162.6	-102.7	0	0	0	112.8	L228 D235 Y465 F469 F472 K536 T537 V538	L228-F534 HydrophobicContact CD2-CB 4.39Å; L228-F534 HydrophobicContact CD2-CD2 4.13Å; L228-F534 HydrophobicContact CD2-CG 4.48Å; D235-F534 HydrophobicContact CB-CD2 4.41Å; Y465-F534 HydrophobicContact CD1-CE1 4.07Å; Y465-F534 AromaticContact CD1-CZ 4Å; Y465-F534 HydrophobicContact CD1-CZ 4Å; Y465-F534 AromaticContact CE1-CE1 3.77Å; Y465-F534 HydrophobicContact CE1-CE1 3.77Å; Y465-F534 HydrophobicContact CE1-CE2 4.11Å; Y465-F534 AromaticContact CE1-CZ 3.33Å; Y465-F534 HydrophobicContact CE1-CZ 3.33Å; F469-F534 HydrophobicContact CB-CE1 4.19Å; F469-F534 HydrophobicContact CD1-CD1 4.21Å; F469-F534 HydrophobicContact CD1-CE1 4.36Å; F469-F534 AromaticContact CD2-CD1 3.49Å; F469-F534 HydrophobicContact CD2-CD1 3.49Å; F469-F534 VanDerWaalsContact CD2-CD1 3.49Å; F469-F534 AromaticContact CD2-CE1 3.48Å; F469-F534 HydrophobicContact CD2-CE1 3.48Å; F469-F534 VanDerWaalsContact CD2-CE1 3.48Å; F469-F534 HydrophobicContact CE1-CD1 4.12Å; F469-F534 AromaticContact CE2-CD1 3.39Å; F469-F534 HydrophobicContact CE2-CD1 3.39Å; F469-F534 AromaticContact CE2-CE1 3.92Å; F469-F534 HydrophobicContact CE2-CE1 3.92Å; F469-F534 HydrophobicContact CE2-CG 4.45Å; F469-F534 AromaticContact CG-CD1 3.92Å; F469-F534 HydrophobicContact CG-CD1 3.92Å; F469-F534 AromaticContact CG-CE1 3.74Å; F469-F534 HydrophobicContact CG-CE1 3.74Å; F469-F534 AromaticContact CZ-CD1 3.72Å; F469-F534 HydrophobicContact CZ-CD1 3.72Å; F472-F534 AromaticContact CD1-CZ 3.9Å; F472-F534 HydrophobicContact CD1-CZ 3.9Å; F472-F534 HydrophobicContact CD2-CZ 4.22Å; F472-F534 AromaticContact CE1-CZ 3.9Å; F472-F534 HydrophobicContact CE1-CZ 3.9Å; F472-F534 HydrophobicContact CE2-CZ 4.22Å; F472-F534 HydrophobicContact CG-CE1 4.44Å; F472-F534 HydrophobicContact CG-CZ 4.07Å; F472-F534 HydrophobicContact CZ-CZ 4.09Å; F534-K536 VanDerWaalsContact C-N 3.29Å; F534-K536 PolarHBondContact O-N 3Å; F534-T537 WeakPolarHBondContact O-CB 3.29Å; F534-T537 PolarHBondContact O-N 3.48Å; F534-T537 VanDerWaalsContact O-N 3.11Å; F534-V538 HydrophobicContact CD1-CG2 3.84Å; F534-V538 HydrophobicContact CE1-CG2 3.54Å; F534-V538 HydrophobicContact CZ-CG2 4.08Å; F534-V538 WeakPolarHBondContact O-CG2 3.24Å; F534-V538 PolarHBondContact O-N 3.1Å
535	Y	94.1	Very high	93.1	Very high	39 Å²	39	31 Å²	31	15%	0.153	15%	0.146	C	C	.	.	H	α-helix	trans	-61	-35.7	175.9	63.9	-98.7	0	0	0	112.9	P533 G539 E594 I597	P533-Y535 HydrophobicContact CB-CD1 3.72Å; P533-Y535 HydrophobicContact CB-CE1 3.26Å; P533-Y535 HydrophobicContact CB-CE2 4.34Å; P533-Y535 HydrophobicContact CB-CG 4.42Å; P533-Y535 HydrophobicContact CG-CE1 3.94Å; P533-Y535 PolarHBondContact O-N 2.97Å; Y535-G539 PolarHBondContact O-N 3.36Å; Y535-E594 HydrophobicContact CD1-CG 3.92Å; Y535-E594 HydrophobicContact CD2-CG 3.91Å; Y535-E594 HydrophobicContact CE1-CB 4.14Å; Y535-E594 HydrophobicContact CE1-CG 3.92Å; Y535-E594 HydrophobicContact CE2-CB 4.18Å; Y535-E594 HydrophobicContact CE2-CG 3.94Å; Y535-E594 HydrophobicContact CG-CG 3.93Å; Y535-I597 HydrophobicContact CE2-CD1 4.39Å; Y535-I597 HydrophobicContact CE2-CG2 4.41Å
536	K	94.9	Very high	93.6	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-67.7	-41.6	175.8	179.9	178.7	171.6	-175.1	0	110	Y528 D529 P533 F534 G539 I540 K585 K587 Y601	Y528-K536 PolarHBondContact O-NZ 2.78Å; D529-K536 IonicContact OD1-NZ 2.68Å; P533-K536 WeakPolarHBondContact O-CB 3.48Å; P533-K536 PolarHBondContact O-N 3.4Å; P533-K536 VanDerWaalsContact O-N 3.17Å; F534-K536 VanDerWaalsContact C-N 3.29Å; F534-K536 PolarHBondContact O-N 3Å; K536-G539 PolarHBondContact O-N 3.49Å; K536-I540 HydrophobicContact CG-CD1 3.92Å; K536-I540 VanDerWaalsContact O-CG1 3.25Å; K536-I540 WeakPolarHBondContact O-CG1 3.33Å; K536-I540 PolarHBondContact O-N 3.23Å; K536-K585 PolarHBondContact NZ-O 3.36Å; K536-K587 PolarHBondContact NZ-O 2.77Å; K536-Y601 HydrophobicContact CG-CE2 4.42Å
537	T	95.9	Very high	93.9	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60.4	-48.1	175.8	-53.6	0	0	0	0	111.5	R232 A236 F519 C532 P533 F534 L541	R232-T537 HydrophobicContact CB-CG2 4.23Å; R232-T537 HydrophobicContact CG-CG2 4.11Å; A236-T537 HydrophobicContact CB-CG2 4.01Å; F519-T537 HydrophobicContact CE2-CG2 3.77Å; F519-T537 WeakPolarHBondContact CE2-O 3.45Å; F519-T537 HydrophobicContact CZ-CG2 3.74Å; C532-T537 PolarHBondContact SG-OG1 3.09Å; P533-T537 PolarHBondContact O-N 3.07Å; P533-T537 VanDerWaalsContact O-N 3.1Å; P533-T537 PolarHBondContact O-OG1 3.16Å; P533-T537 VanDerWaalsContact O-OG1 3.13Å; F534-T537 WeakPolarHBondContact O-CB 3.29Å; F534-T537 PolarHBondContact O-N 3.48Å; F534-T537 VanDerWaalsContact O-N 3.11Å; T537-L541 WeakPolarHBondContact O-CB 3.37Å; T537-L541 PolarHBondContact O-N 3.08Å; T537-L541 VanDerWaalsContact O-N 3.15Å
538	V	95.9	Very high	94.4	Very high	5 Å²	5	18.5 Å²	18.5	3%	0.03	9%	0.09	C	C	.	.	H	α-helix	trans	-63	-45.4	177.7	177.3	0	0	0	0	111.1	F469 E471 F472 F534 I540 L541 S542	F469-V538 HydrophobicContact CD1-CG2 4.05Å; F469-V538 HydrophobicContact CG-CG2 4.34Å; E471-V538 HydrophobicContact CG-CG1 3.99Å; F472-V538 HydrophobicContact CB-CG2 4.26Å; F472-V538 HydrophobicContact CD2-CG2 3.85Å; F472-V538 HydrophobicContact CG-CG2 4.25Å; F534-V538 HydrophobicContact CD1-CG2 3.84Å; F534-V538 HydrophobicContact CE1-CG2 3.54Å; F534-V538 HydrophobicContact CZ-CG2 4.08Å; F534-V538 WeakPolarHBondContact O-CG2 3.24Å; F534-V538 PolarHBondContact O-N 3.1Å; V538-I540 PolarHBondContact O-N 2.89Å; V538-L541 PolarHBondContact O-N 3.04Å; V538-S542 WeakPolarHBondContact O-CB 3.19Å; V538-S542 PolarHBondContact O-N 3.13Å; V538-S542 PolarHBondContact O-OG 3.19Å
539	G	94.7	Very high	94.7	Very high	11 Å²	11	19.5 Å²	19.5	11%	0.113	10%	0.099	C	C	.	.	H	α-helix	trans	-65.6	-37.9	-178.7	0	0	0	0	0	114.6	Y535 K536 S542 N543	Y535-G539 PolarHBondContact O-N 3.36Å; K536-G539 PolarHBondContact O-N 3.49Å; G539-S542 WeakPolarHBondContact CA-OG 3.41Å; G539-S542 PolarHBondContact O-OG 2.72Å; G539-N543 PolarHBondContact O-N 2.82Å
540	I	95.4	Very high	94.9	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.01	11%	0.108	C	C	.	.	H	α-helix	trans	-64.8	-45.5	173.6	-66.8	169.9	0	0	0	109.7	F519 K536 V538 N543 I544 M584 Y601	F519-I540 HydrophobicContact CD2-CB 4.27Å; F519-I540 HydrophobicContact CD2-CG2 3.72Å; K536-I540 HydrophobicContact CG-CD1 3.92Å; K536-I540 VanDerWaalsContact O-CG1 3.25Å; K536-I540 WeakPolarHBondContact O-CG1 3.33Å; K536-I540 PolarHBondContact O-N 3.23Å; V538-I540 PolarHBondContact O-N 2.89Å; I540-N543 PolarHBondContact O-N 2.6Å; I540-I544 HydrophobicContact CG2-CD1 3.85Å; I540-I544 WeakPolarHBondContact O-CG1 3.45Å; I540-I544 PolarHBondContact O-N 3.26Å; I540-M584 HydrophobicContact CB-CE 4.42Å; I540-M584 HydrophobicContact CG1-CB 3.98Å; I540-M584 HydrophobicContact CG2-CE 3.95Å; I540-Y601 HydrophobicContact CG1-CE2 4.28Å
541	L	96.3	Very high	95.1	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-66.5	-41.8	-178.2	-167.3	62.3	0	0	0	111.6	F472 L475 A479 L515 F519 T537 V538 N543 I544 I545	F472-L541 HydrophobicContact CE2-CD2 4.18Å; L475-L541 HydrophobicContact CB-CD2 3.87Å; L475-L541 HydrophobicContact CB-CG 4.14Å; A479-L541 HydrophobicContact CB-CD1 3.98Å; L515-L541 HydrophobicContact CD2-CD1 3.91Å; F519-L541 HydrophobicContact CD1-CD1 4.33Å; F519-L541 HydrophobicContact CD2-CB 4.5Å; F519-L541 HydrophobicContact CD2-CD1 4.43Å; F519-L541 HydrophobicContact CE1-CD1 4.11Å; F519-L541 HydrophobicContact CE2-CB 3.89Å; F519-L541 HydrophobicContact CE2-CD1 4.21Å; F519-L541 HydrophobicContact CG-CD1 4.49Å; F519-L541 HydrophobicContact CZ-CB 4.19Å; F519-L541 HydrophobicContact CZ-CD1 4.04Å; F519-L541 HydrophobicContact CZ-CD2 4.24Å; F519-L541 HydrophobicContact CZ-CG 4.4Å; T537-L541 WeakPolarHBondContact O-CB 3.37Å; T537-L541 PolarHBondContact O-N 3.08Å; T537-L541 VanDerWaalsContact O-N 3.15Å; V538-L541 PolarHBondContact O-N 3.04Å; L541-N543 VanDerWaalsContact C-N 3.33Å; L541-N543 PolarHBondContact O-N 3.41Å; L541-I544 PolarHBondContact O-N 3.3Å; L541-I545 HydrophobicContact CD1-CG1 4.29Å; L541-I545 HydrophobicContact CG-CG1 4.31Å; L541-I545 VanDerWaalsContact O-CG1 3.28Å; L541-I545 WeakPolarHBondContact O-CG1 3.5Å; L541-I545 PolarHBondContact O-N 3.46Å
542	S	96.4	Very high	95.3	Very high	34 Å²	34	17 Å²	17	24%	0.238	9%	0.089	C	C	.	.	H	α-helix	trans	-59.4	-43.4	178.7	63.4	0	0	0	0	112	V538 G539 A546	V538-S542 WeakPolarHBondContact O-CB 3.19Å; V538-S542 PolarHBondContact O-N 3.13Å; V538-S542 PolarHBondContact O-OG 3.19Å; G539-S542 WeakPolarHBondContact CA-OG 3.41Å; G539-S542 PolarHBondContact O-OG 2.72Å; S542-A546 WeakPolarHBondContact O-CB 3.29Å; S542-A546 PolarHBondContact O-N 2.58Å
543	N	96.3	Very high	95.2	Very high	4 Å²	4	22.2 Å²	22.2	2%	0.021	11%	0.114	C	C	.	.	H	α-helix	trans	-70	-38.3	-179.1	-75.4	-1.1	0	0	0	112.5	G539 I540 L541 F547 L581 M584 Y601	G539-N543 PolarHBondContact O-N 2.82Å; I540-N543 PolarHBondContact O-N 2.6Å; L541-N543 VanDerWaalsContact C-N 3.33Å; L541-N543 PolarHBondContact O-N 3.41Å; N543-F547 WeakPolarHBondContact O-CB 3.45Å; N543-F547 PolarHBondContact O-N 3.2Å; N543-L581 HydrophobicContact CB-CD2 3.92Å; N543-M584 HydrophobicContact CB-CE 4Å; N543-M584 HydrophobicContact CB-SD 3.84Å; N543-Y601 PolarHBondContact ND2-O 3.33Å; N543-Y601 VanDerWaalsContact ND2-O 3.11Å
544	I	96.4	Very high	95.1	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-67.1	-43.2	176.6	-66.6	169.5	0	0	0	111.2	V511 L514 L515 F519 I540 L541 F547 Y548 M584	V511-I544 HydrophobicContact CG1-CG2 4.09Å; L514-I544 HydrophobicContact CD2-CG1 4.12Å; L514-I544 HydrophobicContact CD2-CG2 4.2Å; L515-I544 HydrophobicContact CD2-CB 4.3Å; L515-I544 HydrophobicContact CD2-CD1 4.09Å; L515-I544 HydrophobicContact CD2-CG2 3.6Å; L515-I544 HydrophobicContact CG-CG2 3.85Å; F519-I544 HydrophobicContact CB-CD1 4.2Å; I540-I544 HydrophobicContact CG2-CD1 3.85Å; I540-I544 WeakPolarHBondContact O-CG1 3.45Å; I540-I544 PolarHBondContact O-N 3.26Å; L541-I544 PolarHBondContact O-N 3.3Å; I544-F547 WeakPolarHBondContact O-CB 3.22Å; I544-F547 PolarHBondContact O-N 3.4Å; I544-Y548 PolarHBondContact O-N 2.84Å; I544-Y548 VanDerWaalsContact O-N 3.08Å; I544-M584 HydrophobicContact CD1-CE 4.41Å; I544-M584 HydrophobicContact CG1-CE 3.99Å
545	I	96.7	Very high	95	Very high	4 Å²	4	21 Å²	21	2%	0.021	11%	0.107	C	C	.	.	H	α-helix	trans	-70.4	-39.2	178.9	-59.7	-59.2	0	0	0	111	L475 K478 A479 I482 L541 F547 Y548 D549	L475-I545 HydrophobicContact CD2-CB 3.66Å; L475-I545 HydrophobicContact CD2-CG1 3.9Å; L475-I545 HydrophobicContact CD2-CG2 3.84Å; K478-I545 HydrophobicContact CB-CD1 4.29Å; K478-I545 HydrophobicContact CB-CG2 4.13Å; A479-I545 HydrophobicContact CB-CD1 4.26Å; I482-I545 HydrophobicContact CD1-CD1 3.72Å; L541-I545 HydrophobicContact CD1-CG1 4.29Å; L541-I545 HydrophobicContact CG-CG1 4.31Å; L541-I545 VanDerWaalsContact O-CG1 3.28Å; L541-I545 WeakPolarHBondContact O-CG1 3.5Å; L541-I545 PolarHBondContact O-N 3.46Å; I545-F547 VanDerWaalsContact C-N 3.3Å; I545-F547 PolarHBondContact O-N 3.09Å; I545-Y548 WeakPolarHBondContact O-CB 3.22Å; I545-Y548 PolarHBondContact O-N 3.45Å; I545-Y548 VanDerWaalsContact O-N 3.11Å; I545-D549 PolarHBondContact O-N 3.16Å
546	A	96	Very high	94.8	Very high	21 Å²	21	23.9 Å²	23.9	17%	0.174	12%	0.122	C	C	.	.	H	α-helix	trans	-60.5	-40.2	173.9	0	0	0	0	0	112	S542 Y548 D549 M550 L605 M608	S542-A546 WeakPolarHBondContact O-CB 3.29Å; S542-A546 PolarHBondContact O-N 2.58Å; A546-Y548 VanDerWaalsContact C-N 3.35Å; A546-D549 PolarHBondContact O-N 3.11Å; A546-M550 HydrophobicContact CB-CE 4.34Å; A546-M550 WeakPolarHBondContact O-CB 3.24Å; A546-M550 VanDerWaalsContact O-CG 3.24Å; A546-M550 WeakPolarHBondContact O-CG 3.43Å; A546-M550 PolarHBondContact O-N 3.25Å; A546-L605 HydrophobicContact CB-CD1 3.59Å; A546-M608 HydrophobicContact CB-CE 3.76Å
547	F	96.3	Very high	94.4	Very high	1 Å²	1	28.2 Å²	28.2	0%	0.004	15%	0.148	C	C	.	.	H	α-helix	trans	-60.3	-44	172.7	178.2	-97	0	0	0	111.9	V511 N543 I544 I545 A551 W567 I570 L574 L578 L581 M608 F612	V511-F547 HydrophobicContact CG2-CD1 4Å; V511-F547 HydrophobicContact CG2-CE1 4.06Å; N543-F547 WeakPolarHBondContact O-CB 3.45Å; N543-F547 PolarHBondContact O-N 3.2Å; I544-F547 WeakPolarHBondContact O-CB 3.22Å; I544-F547 PolarHBondContact O-N 3.4Å; I545-F547 VanDerWaalsContact C-N 3.3Å; I545-F547 PolarHBondContact O-N 3.09Å; F547-A551 VanDerWaalsContact O-CB 3.24Å; F547-A551 WeakPolarHBondContact O-CB 3.35Å; F547-A551 PolarHBondContact O-N 3.04Å; F547-W567 HydrophobicContact CE1-CH2 4.37Å; F547-W567 HydrophobicContact CE1-CZ3 4.2Å; F547-W567 HydrophobicContact CZ-CH2 4.37Å; F547-W567 HydrophobicContact CZ-CZ3 4.12Å; F547-I570 HydrophobicContact CZ-CG2 4.35Å; F547-L574 HydrophobicContact CE2-CD1 3.91Å; F547-L578 HydrophobicContact CE1-CD2 3.93Å; F547-L578 HydrophobicContact CE2-CD2 4.05Å; F547-L578 HydrophobicContact CZ-CD2 3.56Å; F547-L578 HydrophobicContact CZ-CG 4.38Å; F547-L581 HydrophobicContact CB-CD1 4.02Å; F547-L581 HydrophobicContact CD1-CD1 4.48Å; F547-L581 HydrophobicContact CD2-CD1 3.9Å; F547-L581 HydrophobicContact CG-CD1 3.87Å; F547-M608 HydrophobicContact CB-CE 4.33Å; F547-M608 HydrophobicContact CB-SD 3.57Å; F547-M608 VanDerWaalsContact CB-SD 3.57Å; F547-M608 HydrophobicContact CD2-CG 4.45Å; F547-M608 HydrophobicContact CD2-SD 3.73Å; F547-M608 HydrophobicContact CG-SD 4.14Å; F547-F612 AromaticContact CD2-CE2 3.76Å; F547-F612 HydrophobicContact CD2-CE2 3.76Å; F547-F612 AromaticContact CD2-CZ 3.84Å; F547-F612 HydrophobicContact CD2-CZ 3.84Å; F547-F612 AromaticContact CE2-CE2 3.97Å; F547-F612 HydrophobicContact CE2-CE2 3.97Å; F547-F612 AromaticContact CE2-CZ 3.68Å; F547-F612 HydrophobicContact CE2-CZ 3.68Å; F547-F612 HydrophobicContact CZ-CZ 4.43Å
548	Y	96.6	Very high	94	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.016	16%	0.155	C	C	.	.	H	α-helix	trans	-60.7	-49.4	177.7	174.3	-99.6	0	0	0	112.3	I482 I507 V511 I544 I545 A546 M550 A551 R552	I482-Y548 HydrophobicContact CD1-CD1 3.69Å; I482-Y548 HydrophobicContact CD1-CD2 3.98Å; I482-Y548 HydrophobicContact CD1-CE1 3.9Å; I482-Y548 HydrophobicContact CD1-CE2 4.17Å; I482-Y548 HydrophobicContact CD1-CG 3.73Å; I482-Y548 HydrophobicContact CG1-CD1 4.37Å; I482-Y548 HydrophobicContact CG1-CD2 4.41Å; I482-Y548 HydrophobicContact CG1-CE1 4.08Å; I482-Y548 HydrophobicContact CG1-CE2 4.1Å; I507-Y548 HydrophobicContact CG2-CD2 4.13Å; I507-Y548 HydrophobicContact CG2-CE2 4.39Å; V511-Y548 HydrophobicContact CB-CD2 4.02Å; V511-Y548 HydrophobicContact CG1-CD2 3.94Å; V511-Y548 HydrophobicContact CG1-CG 4.26Å; V511-Y548 HydrophobicContact CG2-CD2 3.97Å; I544-Y548 PolarHBondContact O-N 2.84Å; I544-Y548 VanDerWaalsContact O-N 3.08Å; I545-Y548 WeakPolarHBondContact O-CB 3.22Å; I545-Y548 PolarHBondContact O-N 3.45Å; I545-Y548 VanDerWaalsContact O-N 3.11Å; A546-Y548 VanDerWaalsContact C-N 3.35Å; Y548-M550 PolarHBondContact O-N 3.32Å; Y548-A551 PolarHBondContact O-N 3.47Å; Y548-R552 VanDerWaalsContact O-CB 3.29Å; Y548-R552 WeakPolarHBondContact O-CB 3.27Å; Y548-R552 PolarHBondContact O-N 2.81Å; Y548-R552 PolarHBondContact OH-NH1 2.91Å; Y548-R552 VanDerWaalsContact OH-NH1 3.12Å
549	D	95.9	Very high	93.2	Very high	76 Å²	76	31.1 Å²	31.1	41%	0.406	17%	0.171	S	C	.	.	H	α-helix	trans	-64	-41.5	-178.7	-69.2	-27.1	0	0	0	111.3	I545 A546 H553	I545-D549 PolarHBondContact O-N 3.16Å; A546-D549 PolarHBondContact O-N 3.11Å; D549-H553 VanDerWaalsContact O-CB 3.28Å; D549-H553 WeakPolarHBondContact O-CB 3.45Å; D549-H553 PolarHBondContact O-N 3.31Å
550	M	94.1	Very high	92.3	Very high	44 Å²	44	39.4 Å²	39.4	22%	0.217	21%	0.207	C	C	.	.	H	α-helix	trans	-66.7	-45.4	176.4	-69.6	175.7	-163	0	0	112.3	A546 Y548 R552 H553 A554 L605 M608 Q609 F612	A546-M550 HydrophobicContact CB-CE 4.34Å; A546-M550 WeakPolarHBondContact O-CB 3.24Å; A546-M550 VanDerWaalsContact O-CG 3.24Å; A546-M550 WeakPolarHBondContact O-CG 3.43Å; A546-M550 PolarHBondContact O-N 3.25Å; Y548-M550 PolarHBondContact O-N 3.32Å; M550-R552 VanDerWaalsContact C-N 3.31Å; M550-R552 PolarHBondContact O-N 2.79Å; M550-H553 PolarHBondContact O-N 2.76Å; M550-A554 WeakPolarHBondContact O-CB 3.34Å; M550-A554 PolarHBondContact O-N 2.93Å; M550-L605 HydrophobicContact CE-CD1 4.47Å; M550-M608 HydrophobicContact CE-CE 4.1Å; M550-M608 HydrophobicContact SD-CE 3.9Å; M550-M608 HydrophobicContact SD-CG 4.33Å; M550-Q609 HydrophobicContact CE-CG 3.42Å; M550-Q609 VanDerWaalsContact CE-CG 3.42Å; M550-Q609 HydrophobicContact SD-CG 3.97Å; M550-F612 HydrophobicContact CB-CD1 4.39Å; M550-F612 HydrophobicContact CB-CD2 3.83Å; M550-F612 HydrophobicContact CB-CE1 4.34Å; M550-F612 HydrophobicContact CB-CE2 3.76Å; M550-F612 HydrophobicContact CB-CG 4.16Å; M550-F612 HydrophobicContact CB-CZ 4.03Å; M550-F612 HydrophobicContact CG-CD2 4.45Å; M550-F612 HydrophobicContact SD-CD2 3.88Å; M550-F612 HydrophobicContact SD-CE2 4.29Å
551	A	93.9	Very high	91.6	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.5	-41	178.2	0	0	0	0	0	111.5	I507 F547 Y548 V555 I570 F612	I507-A551 HydrophobicContact CD1-CB 4.28Å; I507-A551 HydrophobicContact CG2-CB 4.07Å; F547-A551 VanDerWaalsContact O-CB 3.24Å; F547-A551 WeakPolarHBondContact O-CB 3.35Å; F547-A551 PolarHBondContact O-N 3.04Å; Y548-A551 PolarHBondContact O-N 3.47Å; A551-V555 WeakPolarHBondContact O-CG2 3.36Å; A551-V555 PolarHBondContact O-N 2.65Å; A551-I570 HydrophobicContact CB-CD1 4.42Å; A551-F612 HydrophobicContact CB-CE1 4.22Å; A551-F612 HydrophobicContact CB-CZ 4.07Å
552	R	93.7	Very high	90.3	Very high	78 Å²	78	50.2 Å²	50.2	29%	0.294	27%	0.269	S	S	.	.	H	α-helix	trans	-66	-45.7	176.5	-172.7	174.3	176.1	168.7	-0.5	111.3	Y548 M550 A554 V555 E556	Y548-R552 VanDerWaalsContact O-CB 3.29Å; Y548-R552 WeakPolarHBondContact O-CB 3.27Å; Y548-R552 PolarHBondContact O-N 2.81Å; Y548-R552 PolarHBondContact OH-NH1 2.91Å; Y548-R552 VanDerWaalsContact OH-NH1 3.12Å; M550-R552 VanDerWaalsContact C-N 3.31Å; M550-R552 PolarHBondContact O-N 2.79Å; R552-A554 PolarHBondContact O-N 3.41Å; R552-V555 PolarHBondContact O-N 3.37Å; R552-E556 HydrophobicContact CG-CG 4.3Å; R552-E556 WeakPolarHBondContact CG-OE1 3.37Å; R552-E556 IonicContact CZ-OE1 3.61Å; R552-E556 IonicContact NE-OE1 3.65Å; R552-E556 PolarHBondContact NE-OE1 3.11Å; R552-E556 IonicContact NH2-OE1 3.64Å; R552-E556 PolarHBondContact NH2-OE1 3.4Å; R552-E556 WeakPolarHBondContact O-CB 3.37Å; R552-E556 WeakPolarHBondContact O-CG 3.03Å; R552-E556 PolarHBondContact O-N 2.97Å
553	H	92.4	Very high	89.4	Confident	112 Å²	112	55.5 Å²	55.5	52%	0.519	29%	0.294	S	S	.	.	H	α-helix	trans	-59	-45.5	176.8	-177.6	-82.6	0	0	0	112.4	D549 M550 V555 E556 T557	D549-H553 VanDerWaalsContact O-CB 3.28Å; D549-H553 WeakPolarHBondContact O-CB 3.45Å; D549-H553 PolarHBondContact O-N 3.31Å; M550-H553 PolarHBondContact O-N 2.76Å; H553-V555 VanDerWaalsContact C-N 3.35Å; H553-V555 PolarHBondContact O-N 3.32Å; H553-E556 PolarHBondContact O-N 3.18Å; H553-T557 PolarHBondContact CE1-OG1 2.88Å; H553-T557 VanDerWaalsContact O-CB 3.28Å; H553-T557 WeakPolarHBondContact O-CB 3.23Å; H553-T557 PolarHBondContact O-N 3.31Å; H553-T557 PolarHBondContact O-OG1 2.99Å
554	A	90.9	Very high	88.8	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-61.3	-41.7	179.3	0	0	0	0	0	112.2	M550 R552 T558 I565	M550-A554 WeakPolarHBondContact O-CB 3.34Å; M550-A554 PolarHBondContact O-N 2.93Å; R552-A554 PolarHBondContact O-N 3.41Å; A554-T558 WeakPolarHBondContact O-CG2 3.11Å; A554-T558 PolarHBondContact O-N 2.94Å; A554-T558 PolarHBondContact O-OG1 3.48Å; A554-I565 HydrophobicContact CB-CD1 4.41Å
555	V	91.1	Very high	88.4	Confident	5 Å²	5	60.2 Å²	60.2	3%	0.03	32%	0.315	C	S	.	.	H	α-helix	trans	-74.3	-39.7	179	172.4	0	0	0	0	112.6	E503 I507 A551 R552 H553 A559 I565 I570	E503-V555 HydrophobicContact CB-CG1 3.71Å; I507-V555 HydrophobicContact CD1-CB 4.1Å; I507-V555 HydrophobicContact CD1-CG2 3.58Å; A551-V555 WeakPolarHBondContact O-CG2 3.36Å; A551-V555 PolarHBondContact O-N 2.65Å; R552-V555 PolarHBondContact O-N 3.37Å; H553-V555 VanDerWaalsContact C-N 3.35Å; H553-V555 PolarHBondContact O-N 3.32Å; V555-A559 PolarHBondContact O-N 3.33Å; V555-I565 HydrophobicContact CG2-CG2 4.46Å; V555-I570 HydrophobicContact CG2-CD1 3.82Å
556	E	90.1	Very high	88.1	Confident	100 Å²	100	61.8 Å²	61.8	47%	0.467	33%	0.325	S	S	.	.	H	α-helix	trans	-69.1	-40.4	179.2	-74.2	-179.4	-179.1	0	0	111.7	T504 R552 H553 A559	T504-E556 HydrophobicContact CG2-CG 4.24Å; R552-E556 HydrophobicContact CG-CG 4.3Å; R552-E556 WeakPolarHBondContact CG-OE1 3.37Å; R552-E556 IonicContact CZ-OE1 3.61Å; R552-E556 IonicContact NE-OE1 3.65Å; R552-E556 PolarHBondContact NE-OE1 3.11Å; R552-E556 IonicContact NH2-OE1 3.64Å; R552-E556 PolarHBondContact NH2-OE1 3.4Å; R552-E556 WeakPolarHBondContact O-CB 3.37Å; R552-E556 WeakPolarHBondContact O-CG 3.03Å; R552-E556 PolarHBondContact O-N 2.97Å; H553-E556 PolarHBondContact O-N 3.18Å; E556-A559 VanDerWaalsContact O-CB 3.27Å; E556-A559 WeakPolarHBondContact O-CB 3.43Å; E556-A559 PolarHBondContact O-N 2.99Å
557	T	88.3	Confident	87.8	Confident	90 Å²	90	61.7 Å²	61.7	55%	0.552	32%	0.32	S	S	*	.	H	α-helix	trans	-68	-38.3	-179.3	-53.7	0	0	0	0	111.9	H553 A559	H553-T557 PolarHBondContact CE1-OG1 2.88Å; H553-T557 VanDerWaalsContact O-CB 3.28Å; H553-T557 WeakPolarHBondContact O-CB 3.23Å; H553-T557 PolarHBondContact O-N 3.31Å; H553-T557 PolarHBondContact O-OG1 2.99Å; T557-A559 VanDerWaalsContact C-N 3.32Å; T557-A559 PolarHBondContact O-N 3Å
558	T	85.6	Confident	87.5	Confident	22 Å²	22	65.1 Å²	65.1	14%	0.135	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-89.4	6.9	179.9	61.8	0	0	0	0	113.6	A554 Q560 S561 I565	A554-T558 WeakPolarHBondContact O-CG2 3.11Å; A554-T558 PolarHBondContact O-N 2.94Å; A554-T558 PolarHBondContact O-OG1 3.48Å; T558-Q560 VanDerWaalsContact C-N 3.25Å; T558-Q560 PolarHBondContact O-N 2.8Å; T558-S561 VanDerWaalsContact CA-OG 3.28Å; T558-S561 WeakPolarHBondContact CA-OG 3.28Å; T558-S561 WeakPolarHBondContact CB-OG 3.3Å; T558-S561 PolarHBondContact O-N 3.35Å; T558-S561 PolarHBondContact O-OG 2.69Å; T558-I565 HydrophobicContact CG2-CD1 3.77Å; T558-I565 HydrophobicContact CG2-CG1 3.99Å; T558-I565 WeakPolarHBondContact OG1-CB 3.26Å; T558-I565 PolarHBondContact OG1-N 2.91Å
559	A	79.7	Confident	87.2	Confident	44 Å²	44	69.2 Å²	69.2	36%	0.364	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-63.9	-27.9	-175.6	0	0	0	0	0	114	V555 E556 T557	V555-A559 PolarHBondContact O-N 3.33Å; E556-A559 VanDerWaalsContact O-CB 3.27Å; E556-A559 WeakPolarHBondContact O-CB 3.43Å; E556-A559 PolarHBondContact O-N 2.99Å; T557-A559 VanDerWaalsContact C-N 3.32Å; T557-A559 PolarHBondContact O-N 3Å
560	Q	77.1	Confident	87	Confident	185 Å²	185	65.6 Å²	65.6	86%	0.864	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-106.4	-5	-178.3	-60.8	-64.5	-36.3	0	0	113.5	T558	T558-Q560 VanDerWaalsContact C-N 3.25Å; T558-Q560 PolarHBondContact O-N 2.8Å
561	S	78.9	Confident	86.9	Confident	57 Å²	57	70.7 Å²	70.7	40%	0.399	36%	0.362	S	S	.	.	S	Bend	trans	-86.4	153.4	176.9	54.3	0	0	0	0	111.7	T558 N563	T558-S561 VanDerWaalsContact CA-OG 3.28Å; T558-S561 WeakPolarHBondContact CA-OG 3.28Å; T558-S561 WeakPolarHBondContact CB-OG 3.3Å; T558-S561 PolarHBondContact O-N 3.35Å; T558-S561 PolarHBondContact O-OG 2.69Å; S561-N563 PolarHBondContact O-N 3.1Å
562	D	70.2	Confident	86.8	Confident	172 Å²	172	78.2 Å²	78.2	92%	0.92	40%	0.397	S	S	*	.	S	Bend	trans	-60.2	-29.9	179.2	-72.9	-30.6	0	0	0	113	K564	D562-K564 PolarHBondContact O-N 3.39Å
563	N	77.6	Confident	86.6	Confident	145 Å²	145	80.9 Å²	80.9	78%	0.775	41%	0.413	S	S	*	.	S	Bend	trans	-97.5	68.6	175.1	-71.7	-10.1	0	0	0	111.1	S561 I565	S561-N563 PolarHBondContact O-N 3.1Å; N563-I565 PolarHBondContact O-N 3.48Å
564	K	83.9	Confident	86.6	Confident	93 Å²	93	75.7 Å²	75.7	40%	0.404	39%	0.389	S	S	.	.			trans	-64.6	122.3	177.1	-177.7	179.1	178.7	-178.3	0	111.1	D562 T566	D562-K564 PolarHBondContact O-N 3.39Å; K564-T566 PolarHBondContact O-N 2.89Å
565	I	87.5	Confident	86.6	Confident	12 Å²	12	77.3 Å²	77.3	6%	0.062	41%	0.406	C	S	.	.			trans	-72.1	125.9	171.3	-60.1	175	0	0	0	108.2	A554 V555 T558 N563 I570 L615 E616	A554-I565 HydrophobicContact CB-CD1 4.41Å; V555-I565 HydrophobicContact CG2-CG2 4.46Å; T558-I565 HydrophobicContact CG2-CD1 3.77Å; T558-I565 HydrophobicContact CG2-CG1 3.99Å; T558-I565 WeakPolarHBondContact OG1-CB 3.26Å; T558-I565 PolarHBondContact OG1-N 2.91Å; N563-I565 PolarHBondContact O-N 3.48Å; I565-I570 HydrophobicContact CG2-CD1 3.93Å; I565-I570 HydrophobicContact CG2-CG1 3.68Å; I565-L615 HydrophobicContact CD1-CD2 4.27Å; I565-L615 HydrophobicContact CD1-CG 4.48Å; I565-L615 HydrophobicContact CG2-CD2 3.91Å; I565-E616 HydrophobicContact CD1-CG 4.34Å
566	T	89.8	Confident	86.7	Confident	37 Å²	37	84.1 Å²	84.1	23%	0.227	44%	0.438	C	S	.	.			trans	-108.6	158.5	175.9	58.4	0	0	0	0	110.4	E503 K564 S568 M569 I570	E503-T566 HydrophobicContact CG-CG2 4.5Å; K564-T566 PolarHBondContact O-N 2.89Å; T566-S568 PolarHBondContact O-N 3.1Å; T566-M569 WeakPolarHBondContact O-CB 3.4Å; T566-M569 PolarHBondContact O-N 3.17Å; T566-M569 VanDerWaalsContact O-N 3.07Å; T566-I570 PolarHBondContact O-N 2.7Å
567	W	90.1	Very high	86.9	Confident	18 Å²	18	79.9 Å²	79.9	7%	0.068	42%	0.418	C	S	.	.	H	α-helix	trans	-55.8	-36.4	176.9	167.5	-111.2	0	0	0	112.6	E503 K506 I507 E510 F547 M569 I570 R571 L578	E503-W567 PolarHBondContact OE2-N 3.25Å; K506-W567 HydrophobicContact CB-CB 4.44Å; I507-W567 HydrophobicContact CG1-CB 4.47Å; I507-W567 HydrophobicContact CG1-CD2 4.46Å; I507-W567 HydrophobicContact CG1-CE3 3.81Å; E510-W567 HydrophobicContact CB-CH2 3.91Å; E510-W567 HydrophobicContact CB-CZ2 3.46Å; E510-W567 VanDerWaalsContact CB-CZ2 3.46Å; E510-W567 HydrophobicContact CG-CZ2 3.61Å; F547-W567 HydrophobicContact CE1-CH2 4.37Å; F547-W567 HydrophobicContact CE1-CZ3 4.2Å; F547-W567 HydrophobicContact CZ-CH2 4.37Å; F547-W567 HydrophobicContact CZ-CZ3 4.12Å; W567-M569 VanDerWaalsContact C-N 3.31Å; W567-M569 PolarHBondContact O-N 3.22Å; W567-I570 HydrophobicContact CE3-CB 4.21Å; W567-I570 HydrophobicContact CE3-CG2 4.14Å; W567-I570 HydrophobicContact CZ3-CG2 4Å; W567-I570 PolarHBondContact O-N 2.74Å; W567-R571 HydrophobicContact CZ2-CB 4.27Å; W567-R571 WeakPolarHBondContact O-CB 3.5Å; W567-R571 PolarHBondContact O-N 3.18Å; W567-L578 HydrophobicContact CH2-CD1 4.5Å
568	S	90.1	Very high	87.1	Confident	73 Å²	73	77.1 Å²	77.1	51%	0.51	40%	0.399	S	S	.	.	H	α-helix	trans	-59.4	-41.4	178	-59.1	0	0	0	0	112.2	T566 R571 E572	T566-S568 PolarHBondContact O-N 3.1Å; S568-R571 PolarHBondContact O-N 3.07Å; S568-E572 WeakPolarHBondContact O-CG 3.33Å; S568-E572 PolarHBondContact O-N 3.24Å; S568-E572 VanDerWaalsContact O-N 3.07Å
569	M	90.6	Very high	87.5	Confident	91 Å²	91	83.9 Å²	83.9	45%	0.448	42%	0.424	S	S	.	.	H	α-helix	trans	-65.9	-44.1	177.4	-68.6	171.7	171.4	0	0	111.5	T566 W567 R571 E572 H573	T566-M569 WeakPolarHBondContact O-CB 3.4Å; T566-M569 PolarHBondContact O-N 3.17Å; T566-M569 VanDerWaalsContact O-N 3.07Å; W567-M569 VanDerWaalsContact C-N 3.31Å; W567-M569 PolarHBondContact O-N 3.22Å; M569-R571 VanDerWaalsContact C-N 3.33Å; M569-R571 PolarHBondContact O-N 3.27Å; M569-E572 PolarHBondContact O-N 2.75Å; M569-H573 WeakPolarHBondContact O-CB 3.48Å; M569-H573 PolarHBondContact O-N 3.21Å; M569-H573 PolarHBondContact O-ND1 2.82Å
570	I	91.4	Very high	88.2	Confident	0 Å²	0	85.7 Å²	85.7	0%	0	42%	0.421	C	S	.	.	H	α-helix	trans	-58.3	-47.1	175.9	-64.2	175.7	0	0	0	109.9	F547 A551 V555 I565 T566 W567 E572 H573 L574 F612 L615	F547-I570 HydrophobicContact CZ-CG2 4.35Å; A551-I570 HydrophobicContact CB-CD1 4.42Å; V555-I570 HydrophobicContact CG2-CD1 3.82Å; I565-I570 HydrophobicContact CG2-CD1 3.93Å; I565-I570 HydrophobicContact CG2-CG1 3.68Å; T566-I570 PolarHBondContact O-N 2.7Å; W567-I570 HydrophobicContact CE3-CB 4.21Å; W567-I570 HydrophobicContact CE3-CG2 4.14Å; W567-I570 HydrophobicContact CZ3-CG2 4Å; W567-I570 PolarHBondContact O-N 2.74Å; I570-E572 PolarHBondContact O-N 3.19Å; I570-H573 PolarHBondContact O-N 2.88Å; I570-L574 HydrophobicContact CG2-CD1 3.63Å; I570-L574 HydrophobicContact CG2-CG 4.33Å; I570-L574 VanDerWaalsContact O-CB 3.24Å; I570-L574 WeakPolarHBondContact O-CB 3.24Å; I570-L574 WeakPolarHBondContact O-CG 3.31Å; I570-L574 PolarHBondContact O-N 3.41Å; I570-F612 HydrophobicContact CG2-CE1 4.41Å; I570-L615 HydrophobicContact CG1-CD2 3.8Å
571	R	91.8	Very high	89	Confident	150 Å²	150	76.9 Å²	76.9	57%	0.566	38%	0.38	S	S	*	.	H	α-helix	trans	-63.7	-38.5	-178.7	-178.3	180	170.3	-170.1	-3.6	112.9	W567 S568 M569 G575 L578	W567-R571 HydrophobicContact CZ2-CB 4.27Å; W567-R571 WeakPolarHBondContact O-CB 3.5Å; W567-R571 PolarHBondContact O-N 3.18Å; S568-R571 PolarHBondContact O-N 3.07Å; M569-R571 VanDerWaalsContact C-N 3.33Å; M569-R571 PolarHBondContact O-N 3.27Å; R571-G575 PolarHBondContact O-N 3.49Å; R571-L578 HydrophobicContact CG-CD1 4.36Å
572	E	91.6	Very high	89.7	Confident	158 Å²	158	75.8 Å²	75.8	74%	0.738	37%	0.372	S	S	*	.	H	α-helix	trans	-72.2	-43.9	178.6	-74.3	178.7	-179.8	0	0	111.9	S568 M569 I570	S568-E572 WeakPolarHBondContact O-CG 3.33Å; S568-E572 PolarHBondContact O-N 3.24Å; S568-E572 VanDerWaalsContact O-N 3.07Å; M569-E572 PolarHBondContact O-N 2.75Å; I570-E572 PolarHBondContact O-N 3.19Å
573	H	90.4	Very high	90.8	Very high	135 Å²	135	69 Å²	69	63%	0.625	34%	0.338	S	S	*	.	H	α-helix	trans	-75.2	-38.4	-178.9	-75.7	76.6	0	0	0	113	M569 I570 L615	M569-H573 WeakPolarHBondContact O-CB 3.48Å; M569-H573 PolarHBondContact O-N 3.21Å; M569-H573 PolarHBondContact O-ND1 2.82Å; I570-H573 PolarHBondContact O-N 2.88Å; H573-L615 HydrophobicContact CB-CD1 3.61Å
574	L	91.8	Very high	91.5	Very high	2 Å²	2	62.3 Å²	62.3	1%	0.01	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	20.8	-176.6	-54.5	179.6	0	0	0	113	F547 I570 E576 I577 L578 F612	F547-L574 HydrophobicContact CE2-CD1 3.91Å; I570-L574 HydrophobicContact CG2-CD1 3.63Å; I570-L574 HydrophobicContact CG2-CG 4.33Å; I570-L574 VanDerWaalsContact O-CB 3.24Å; I570-L574 WeakPolarHBondContact O-CB 3.24Å; I570-L574 WeakPolarHBondContact O-CG 3.31Å; I570-L574 PolarHBondContact O-N 3.41Å; L574-E576 VanDerWaalsContact C-N 3.26Å; L574-E576 PolarHBondContact O-N 2.83Å; L574-I577 HydrophobicContact CB-CB 4.41Å; L574-I577 HydrophobicContact CD2-CD1 3.66Å; L574-I577 PolarHBondContact O-N 2.7Å; L574-I577 VanDerWaalsContact O-N 3.11Å; L574-L578 WeakPolarHBondContact O-CG 3.44Å; L574-L578 PolarHBondContact O-N 2.8Å; L574-F612 HydrophobicContact CD1-CD1 4.06Å; L574-F612 HydrophobicContact CD1-CD2 4.2Å; L574-F612 HydrophobicContact CD1-CE1 3.54Å; L574-F612 HydrophobicContact CD1-CE2 3.7Å; L574-F612 HydrophobicContact CD1-CG 4.37Å; L574-F612 HydrophobicContact CD1-CZ 3.34Å
575	G	91.3	Very high	91.9	Very high	35 Å²	35	59.5 Å²	59.5	36%	0.361	29%	0.29	S	S	.	.	H	α-helix	trans	-56.3	-38.3	-179.3	0	0	0	0	0	113.5	R571 Y579	R571-G575 PolarHBondContact O-N 3.49Å; G575-Y579 PolarHBondContact O-N 2.93Å; G575-Y579 VanDerWaalsContact O-N 3.09Å
576	E	93.2	Very high	92.2	Very high	148 Å²	148	63.8 Å²	63.8	69%	0.692	31%	0.308	S	S	*	.	H	α-helix	trans	-68.8	-41.2	176.6	-172.1	177.2	174.4	0	0	112.2	L574 Y579 R580	L574-E576 VanDerWaalsContact C-N 3.26Å; L574-E576 PolarHBondContact O-N 2.83Å; E576-Y579 WeakPolarHBondContact O-CB 3.36Å; E576-Y579 PolarHBondContact O-N 3.35Å; E576-R580 WeakPolarHBondContact O-CG 3.36Å; E576-R580 PolarHBondContact O-N 2.77Å
577	I	93.6	Very high	92.2	Very high	10 Å²	10	64.5 Å²	64.5	5%	0.051	31%	0.309	C	S	.	.	H	α-helix	trans	-66.6	-43	177.6	-71.6	160.8	0	0	0	110.6	L574 Y579 R580 L581 M608 S611	L574-I577 HydrophobicContact CB-CB 4.41Å; L574-I577 HydrophobicContact CD2-CD1 3.66Å; L574-I577 PolarHBondContact O-N 2.7Å; L574-I577 VanDerWaalsContact O-N 3.11Å; I577-Y579 VanDerWaalsContact C-N 3.28Å; I577-Y579 PolarHBondContact O-N 2.81Å; I577-R580 CarbonylContact O-C 3.58Å; I577-R580 PolarHBondContact O-N 3.04Å; I577-R580 VanDerWaalsContact O-N 3.12Å; I577-L581 HydrophobicContact CG2-CD1 4.13Å; I577-L581 HydrophobicContact CG2-CG 4.31Å; I577-L581 WeakPolarHBondContact O-CG 3.31Å; I577-L581 PolarHBondContact O-N 3.36Å; I577-M608 HydrophobicContact CG2-CB 4.21Å; I577-M608 HydrophobicContact CG2-CG 4.13Å; I577-M608 HydrophobicContact CG2-SD 4.39Å; I577-S611 WeakPolarHBondContact CD1-OG 3.48Å
578	L	92.6	Very high	92.2	Very high	32 Å²	32	64.4 Å²	64.4	17%	0.168	31%	0.309	C	S	.	.	H	α-helix	trans	-58.1	-42.2	174.5	-73	174.3	0	0	0	111.3	F547 W567 R571 L574 L581 S582	F547-L578 HydrophobicContact CE1-CD2 3.93Å; F547-L578 HydrophobicContact CE2-CD2 4.05Å; F547-L578 HydrophobicContact CZ-CD2 3.56Å; F547-L578 HydrophobicContact CZ-CG 4.38Å; W567-L578 HydrophobicContact CH2-CD1 4.5Å; R571-L578 HydrophobicContact CG-CD1 4.36Å; L574-L578 WeakPolarHBondContact O-CG 3.44Å; L574-L578 PolarHBondContact O-N 2.8Å; L578-L581 HydrophobicContact CD2-CD1 4.46Å; L578-L581 PolarHBondContact O-N 2.91Å; L578-S582 PolarHBondContact O-N 3.19Å; L578-S582 PolarHBondContact O-OG 3.08Å
579	Y	94.4	Very high	91.9	Very high	164 Å²	164	61.7 Å²	61.7	64%	0.643	29%	0.29	S	S	*	.	H	α-helix	trans	-63.5	-42.1	174.7	178.8	-100.9	0	0	0	112.6	G575 E576 I577 S582 S583	G575-Y579 PolarHBondContact O-N 2.93Å; G575-Y579 VanDerWaalsContact O-N 3.09Å; E576-Y579 WeakPolarHBondContact O-CB 3.36Å; E576-Y579 PolarHBondContact O-N 3.35Å; I577-Y579 VanDerWaalsContact C-N 3.28Å; I577-Y579 PolarHBondContact O-N 2.81Å; Y579-S582 PolarHBondContact O-N 3.25Å; Y579-S583 WeakPolarHBondContact O-CB 3.05Å; Y579-S583 PolarHBondContact O-N 3.03Å; Y579-S583 PolarHBondContact O-OG 2.85Å
580	R	94.4	Very high	91.4	Very high	82 Å²	82	62.3 Å²	62.3	31%	0.309	30%	0.299	S	S	.	.	H	α-helix	trans	-65.7	-38.4	176.1	-72.5	-179	69.3	-171.2	-7.2	112.1	E576 I577 S583 M584 L604 D607	E576-R580 WeakPolarHBondContact O-CG 3.36Å; E576-R580 PolarHBondContact O-N 2.77Å; I577-R580 CarbonylContact O-C 3.58Å; I577-R580 PolarHBondContact O-N 3.04Å; I577-R580 VanDerWaalsContact O-N 3.12Å; R580-S583 PolarHBondContact O-N 3.34Å; R580-S583 VanDerWaalsContact O-N 3.16Å; R580-M584 WeakPolarHBondContact O-CG 3.24Å; R580-M584 PolarHBondContact O-N 2.88Å; R580-L604 HydrophobicContact CB-CD1 3.65Å; R580-L604 HydrophobicContact CB-CD2 4.34Å; R580-L604 HydrophobicContact CG-CD1 4.48Å; R580-D607 IonicContact CZ-OD2 2.78Å; R580-D607 IonicContact NH1-OD2 3.86Å; R580-D607 PolarHBondContact NH1-OD2 2.65Å; R580-D607 IonicContact NH2-OD2 3.2Å; R580-D607 PolarHBondContact NH2-OD2 2.82Å
581	L	93.7	Very high	91	Very high	1 Å²	1	70.5 Å²	70.5	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-60.5	-47.5	174	-74.5	172.5	0	0	0	111.1	L514 N543 F547 I577 L578 S583 M584 L604	L514-L581 HydrophobicContact CD2-CB 4.39Å; L514-L581 HydrophobicContact CD2-CD1 4.3Å; N543-L581 HydrophobicContact CB-CD2 3.92Å; F547-L581 HydrophobicContact CB-CD1 4.02Å; F547-L581 HydrophobicContact CD1-CD1 4.48Å; F547-L581 HydrophobicContact CD2-CD1 3.9Å; F547-L581 HydrophobicContact CG-CD1 3.87Å; I577-L581 HydrophobicContact CG2-CD1 4.13Å; I577-L581 HydrophobicContact CG2-CG 4.31Å; I577-L581 WeakPolarHBondContact O-CG 3.31Å; I577-L581 PolarHBondContact O-N 3.36Å; L578-L581 HydrophobicContact CD2-CD1 4.46Å; L578-L581 PolarHBondContact O-N 2.91Å; L581-S583 PolarHBondContact O-N 3.04Å; L581-M584 HydrophobicContact CB-CE 4.22Å; L581-M584 HydrophobicContact CD2-CE 3.59Å; L581-M584 HydrophobicContact CD2-SD 4.16Å; L581-M584 WeakPolarHBondContact O-CB 3.49Å; L581-M584 VanDerWaalsContact O-CE 3.23Å; L581-M584 WeakPolarHBondContact O-CE 3.42Å; L581-M584 WeakPolarHBondContact O-CG 3.46Å; L581-M584 PolarHBondContact O-N 3.45Å; L581-L604 HydrophobicContact CD2-CD2 4.05Å
582	S	93.4	Very high	90.4	Very high	34 Å²	34	65.7 Å²	65.7	24%	0.238	32%	0.318	C	S	.	.	H	α-helix	trans	-64.4	-27.7	175.3	-65.6	0	0	0	0	113.5	L514 D518 L578 Y579 M584	L514-S582 WeakPolarHBondContact CD1-OG 3.37Å; D518-S582 WeakPolarHBondContact OD2-CA 3.43Å; D518-S582 WeakPolarHBondContact OD2-CB 3.28Å; D518-S582 PolarHBondContact OD2-OG 3.39Å; L578-S582 PolarHBondContact O-N 3.19Å; L578-S582 PolarHBondContact O-OG 3.08Å; Y579-S582 PolarHBondContact O-N 3.25Å; S582-M584 VanDerWaalsContact C-N 3.33Å
583	S	93.9	Very high	90.2	Very high	28 Å²	28	59.5 Å²	59.5	20%	0.196	30%	0.296	C	S	.	.	H	α-helix	trans	-82.1	-8.5	-178.6	-60	0	0	0	0	114.1	Y579 R580 L581 K585 F586	Y579-S583 WeakPolarHBondContact O-CB 3.05Å; Y579-S583 PolarHBondContact O-N 3.03Å; Y579-S583 PolarHBondContact O-OG 2.85Å; R580-S583 PolarHBondContact O-N 3.34Å; R580-S583 VanDerWaalsContact O-N 3.16Å; L581-S583 PolarHBondContact O-N 3.04Å; S583-K585 PolarHBondContact O-N 3.21Å; S583-K585 VanDerWaalsContact O-N 3.13Å; S583-F586 WeakPolarHBondContact O-CD2 3.33Å; S583-F586 PolarHBondContact O-N 3.04Å; S583-F586 VanDerWaalsContact O-N 3.13Å
584	M	93	Very high	90.2	Very high	6 Å²	6	57.2 Å²	57.2	3%	0.03	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-58.8	-29.2	-177.9	-66.8	-170.7	-71.1	0	0	113.3	I540 N543 I544 R580 L581 S582 F586 K587 Y601 L604	I540-M584 HydrophobicContact CB-CE 4.42Å; I540-M584 HydrophobicContact CG1-CB 3.98Å; I540-M584 HydrophobicContact CG2-CE 3.95Å; N543-M584 HydrophobicContact CB-CE 4Å; N543-M584 HydrophobicContact CB-SD 3.84Å; I544-M584 HydrophobicContact CD1-CE 4.41Å; I544-M584 HydrophobicContact CG1-CE 3.99Å; R580-M584 WeakPolarHBondContact O-CG 3.24Å; R580-M584 PolarHBondContact O-N 2.88Å; L581-M584 HydrophobicContact CB-CE 4.22Å; L581-M584 HydrophobicContact CD2-CE 3.59Å; L581-M584 HydrophobicContact CD2-SD 4.16Å; L581-M584 WeakPolarHBondContact O-CB 3.49Å; L581-M584 VanDerWaalsContact O-CE 3.23Å; L581-M584 WeakPolarHBondContact O-CE 3.42Å; L581-M584 WeakPolarHBondContact O-CG 3.46Å; L581-M584 PolarHBondContact O-N 3.45Å; S582-M584 VanDerWaalsContact C-N 3.33Å; M584-F586 VanDerWaalsContact C-N 3.32Å; M584-F586 PolarHBondContact O-N 3.23Å; M584-K587 WeakPolarHBondContact O-CG 3.49Å; M584-Y601 HydrophobicContact CB-CE1 3.86Å; M584-Y601 HydrophobicContact CG-CD1 4.33Å; M584-Y601 HydrophobicContact CG-CE1 3.93Å; M584-Y601 PolarHBondContact O-OH 3.21Å; M584-Y601 HydrophobicContact SD-CD1 4.24Å; M584-Y601 HydrophobicContact SD-CE1 4.24Å; M584-L604 HydrophobicContact CG-CD2 3.93Å; M584-L604 HydrophobicContact SD-CD2 3.79Å
585	K	92	Very high	90.2	Very high	33 Å²	33	62.9 Å²	62.9	14%	0.143	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-68.3	-27.2	179.9	69.8	-169.5	178.3	-157.8	0	113.8	D517 D518 Y528 K536 S583 K587	D517-K585 PolarHBondContact O-NZ 3.24Å; D518-K585 IonicContact OD1-NZ 2.81Å; D518-K585 PolarHBondContact OD1-NZ 3.48Å; Y528-K585 WeakPolarHBondContact CD2-O 3.33Å; K536-K585 PolarHBondContact NZ-O 3.36Å; S583-K585 PolarHBondContact O-N 3.21Å; S583-K585 VanDerWaalsContact O-N 3.13Å; K585-K587 PolarHBondContact O-N 3.06Å
586	F	93.1	Very high	90.2	Very high	102 Å²	102	65.9 Å²	65.9	45%	0.447	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-73.9	-6.3	-176.2	-59.2	-66.7	0	0	0	114.5	Y528 S583 M584 D588	Y528-F586 HydrophobicContact CD2-CD1 4.37Å; Y528-F586 HydrophobicContact CE1-CD1 4.19Å; Y528-F586 AromaticContact CE2-CD1 3.62Å; Y528-F586 HydrophobicContact CE2-CD1 3.62Å; Y528-F586 HydrophobicContact CE2-CE1 4.16Å; Y528-F586 AromaticContact CZ-CD1 3.53Å; Y528-F586 AromaticContact CZ-CE1 3.95Å; Y528-F586 WeakPolarHBondContact OH-CE1 3.34Å; S583-F586 WeakPolarHBondContact O-CD2 3.33Å; S583-F586 PolarHBondContact O-N 3.04Å; S583-F586 VanDerWaalsContact O-N 3.13Å; M584-F586 VanDerWaalsContact C-N 3.32Å; M584-F586 PolarHBondContact O-N 3.23Å; F586-D588 PolarHBondContact O-N 3.35Å
587	K	90.3	Very high	90.2	Very high	53 Å²	53	58.9 Å²	58.9	23%	0.23	29%	0.293	C	S	.	.			trans	-63.6	122.9	177.2	-67.5	-74	174.5	175.3	0	111.2	K536 M584 K585 P589 E592 I597 D600 Y601	K536-K587 PolarHBondContact NZ-O 2.77Å; M584-K587 WeakPolarHBondContact O-CG 3.49Å; K585-K587 PolarHBondContact O-N 3.06Å; K587-P589 WeakPolarHBondContact O-CD 3.39Å; K587-E592 WeakPolarHBondContact CD-OE2 3.41Å; K587-E592 IonicContact NZ-OE2 2.75Å; K587-E592 PolarHBondContact NZ-OE2 3.31Å; K587-I597 HydrophobicContact CB-CD1 4.35Å; K587-I597 HydrophobicContact CB-CG1 4.39Å; K587-D600 IonicContact NZ-OD2 3.55Å; K587-D600 PolarHBondContact NZ-OD2 3.12Å; K587-Y601 HydrophobicContact CG-CE1 4.23Å
588	D	88.9	Confident	90.2	Very high	16 Å²	16	63 Å²	63	9%	0.086	31%	0.31	C	S	.	.			trans	-88.3	112.5	-176.9	-172.2	-19.4	0	0	0	110.2	F586 V590 K591 E592	F586-D588 PolarHBondContact O-N 3.35Å; D588-V590 PolarHBondContact O-N 3.49Å; D588-V590 PolarHBondContact OD1-N 3.18Å; D588-K591 HydrophobicContact CB-CB 4.23Å; D588-K591 HydrophobicContact CB-CD 4.4Å; D588-K591 HydrophobicContact CB-CG 4.44Å; D588-K591 PolarHBondContact O-N 2.8Å; D588-K591 WeakPolarHBondContact OD2-CD 3.46Å; D588-K591 WeakPolarHBondContact OD2-CE 3.48Å; D588-K591 IonicContact OD2-NZ 3.46Å; D588-E592 PolarHBondContact N-OE1 2.91Å; D588-E592 VanDerWaalsContact N-OE1 3.16Å; D588-E592 PolarHBondContact O-N 3.22Å; D588-E592 VanDerWaalsContact O-N 3.09Å
589	P	84	Confident	90.2	Very high	16 Å²	16	64.5 Å²	64.5	10%	0.104	32%	0.323	C	S	.	.	H	α-helix	trans	-65.2	-25.8	-176.2	27.4	-34.5	0	0	0	113.3	P533 K587	P533-P589 HydrophobicContact CG-CB 3.6Å; P533-P589 HydrophobicContact CG-CG 4.16Å; K587-P589 WeakPolarHBondContact O-CD 3.39Å
590	V	80.7	Confident	90.2	Very high	104 Å²	104	58.5 Å²	58.5	63%	0.63	30%	0.302	S	S	*	.	H	α-helix	trans	-79.7	-33.4	-177.8	-177.1	0	0	0	0	111.2	D588	D588-V590 PolarHBondContact O-N 3.49Å; D588-V590 PolarHBondContact OD1-N 3.18Å
591	K	83.1	Confident	90.2	Very high	172 Å²	172	55.2 Å²	55.2	75%	0.748	29%	0.29	S	S	*	.	H	α-helix	trans	-92.1	-42.7	-174.7	-66.4	-179.9	-174.3	168.8	0	113.9	D588	D588-K591 HydrophobicContact CB-CB 4.23Å; D588-K591 HydrophobicContact CB-CD 4.4Å; D588-K591 HydrophobicContact CB-CG 4.44Å; D588-K591 PolarHBondContact O-N 2.8Å; D588-K591 WeakPolarHBondContact OD2-CD 3.46Å; D588-K591 WeakPolarHBondContact OD2-CE 3.48Å; D588-K591 IonicContact OD2-NZ 3.46Å
592	E	79.7	Confident	90.2	Very high	49 Å²	49	57.4 Å²	57.4	23%	0.229	31%	0.309	C	S	.	.	H	α-helix	trans	-88.2	-22.4	-172	-63.8	178.4	-127.3	0	0	111.6	K587 D588 Q596 I597	K587-E592 WeakPolarHBondContact CD-OE2 3.41Å; K587-E592 IonicContact NZ-OE2 2.75Å; K587-E592 PolarHBondContact NZ-OE2 3.31Å; D588-E592 PolarHBondContact N-OE1 2.91Å; D588-E592 VanDerWaalsContact N-OE1 3.16Å; D588-E592 PolarHBondContact O-N 3.22Å; D588-E592 VanDerWaalsContact O-N 3.09Å; E592-Q596 WeakPolarHBondContact O-CB 3.4Å; E592-Q596 PolarHBondContact O-OE1 3.46Å; E592-I597 HydrophobicContact CB-CD1 4.29Å; E592-I597 HydrophobicContact CB-CG1 4.01Å
593	G	86	Confident	90.3	Very high	27 Å²	27	60.8 Å²	60.8	28%	0.278	32%	0.321	S	S	.	.	H	α-helix	trans	71.6	167.7	-179.2	0	0	0	0	0	113.4	I597	G593-I597 VanDerWaalsContact O-CG1 3.31Å; G593-I597 WeakPolarHBondContact O-CG1 3.46Å; G593-I597 PolarHBondContact O-N 3.37Å
594	E	90.9	Very high	90.3	Very high	87 Å²	87	59.7 Å²	59.7	41%	0.407	31%	0.313	S	S	.	.	H	α-helix	trans	-68.7	-43	-172.1	-178.8	175.5	177.7	0	0	113.1	Y535 Q596 I597 K598	Y535-E594 HydrophobicContact CD1-CG 3.92Å; Y535-E594 HydrophobicContact CD2-CG 3.91Å; Y535-E594 HydrophobicContact CE1-CB 4.14Å; Y535-E594 HydrophobicContact CE1-CG 3.92Å; Y535-E594 HydrophobicContact CE2-CB 4.18Å; Y535-E594 HydrophobicContact CE2-CG 3.94Å; Y535-E594 HydrophobicContact CG-CG 3.93Å; E594-Q596 PolarHBondContact O-N 3.39Å; E594-I597 PolarHBondContact O-N 2.81Å; E594-K598 HydrophobicContact CG-CD 4.23Å; E594-K598 WeakPolarHBondContact O-CG 3.29Å; E594-K598 PolarHBondContact O-N 2.78Å; E594-K598 VanDerWaalsContact O-N 3.07Å; E594-K598 WeakPolarHBondContact OE1-CE 3.19Å; E594-K598 IonicContact OE1-NZ 2.65Å; E594-K598 PolarHBondContact OE1-NZ 3.49Å
595	T	91.2	Very high	90.4	Very high	121 Å²	121	61.8 Å²	61.8	74%	0.742	32%	0.324	S	S	*	.	H	α-helix	trans	-66.6	-40.4	-174.3	48	0	0	0	0	112.6	K598 S599	T595-K598 PolarHBondContact O-N 3.42Å; T595-S599 PolarHBondContact O-N 2.98Å; T595-S599 PolarHBondContact O-OG 2.86Å
596	Q	92.4	Very high	90.5	Very high	99 Å²	99	66 Å²	66	46%	0.463	34%	0.344	S	S	.	.	H	α-helix	trans	-69.6	-42.3	179.7	-168.9	173.4	1.7	0	0	111.3	E592 E594 K598 S599 D600	E592-Q596 WeakPolarHBondContact O-CB 3.4Å; E592-Q596 PolarHBondContact O-OE1 3.46Å; E594-Q596 PolarHBondContact O-N 3.39Å; Q596-K598 VanDerWaalsContact C-N 3.31Å; Q596-K598 PolarHBondContact O-N 3.3Å; Q596-S599 WeakPolarHBondContact CA-OG 3.47Å; Q596-S599 PolarHBondContact O-N 3.01Å; Q596-S599 PolarHBondContact O-OG 2.83Å; Q596-D600 WeakPolarHBondContact O-CB 3.47Å; Q596-D600 VanDerWaalsContact O-CG 3.24Å; Q596-D600 PolarHBondContact O-N 2.83Å
597	I	92.9	Very high	90.6	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-61.8	-42	176.9	-68.2	174.1	0	0	0	110.6	Y535 K587 E592 G593 E594 D600 Y601	Y535-I597 HydrophobicContact CE2-CD1 4.39Å; Y535-I597 HydrophobicContact CE2-CG2 4.41Å; K587-I597 HydrophobicContact CB-CD1 4.35Å; K587-I597 HydrophobicContact CB-CG1 4.39Å; E592-I597 HydrophobicContact CB-CD1 4.29Å; E592-I597 HydrophobicContact CB-CG1 4.01Å; G593-I597 VanDerWaalsContact O-CG1 3.31Å; G593-I597 WeakPolarHBondContact O-CG1 3.46Å; G593-I597 PolarHBondContact O-N 3.37Å; E594-I597 PolarHBondContact O-N 2.81Å; I597-D600 PolarHBondContact O-N 3.36Å; I597-Y601 HydrophobicContact CG2-CD2 3.88Å; I597-Y601 HydrophobicContact CG2-CE1 4.3Å; I597-Y601 HydrophobicContact CG2-CE2 3.36Å; I597-Y601 VanDerWaalsContact O-CG 3.28Å; I597-Y601 PolarHBondContact O-N 2.82Å
598	K	93.1	Very high	90.7	Very high	97 Å²	97	60.9 Å²	60.9	42%	0.422	32%	0.324	S	S	.	.	H	α-helix	trans	-64.8	-42.1	176.4	-74.3	-176.4	-178	176	0	112.5	E594 T595 Q596 D600 Y601 A602	E594-K598 HydrophobicContact CG-CD 4.23Å; E594-K598 WeakPolarHBondContact O-CG 3.29Å; E594-K598 PolarHBondContact O-N 2.78Å; E594-K598 VanDerWaalsContact O-N 3.07Å; E594-K598 WeakPolarHBondContact OE1-CE 3.19Å; E594-K598 IonicContact OE1-NZ 2.65Å; E594-K598 PolarHBondContact OE1-NZ 3.49Å; T595-K598 PolarHBondContact O-N 3.42Å; Q596-K598 VanDerWaalsContact C-N 3.31Å; Q596-K598 PolarHBondContact O-N 3.3Å; K598-D600 VanDerWaalsContact C-N 3.35Å; K598-Y601 PolarHBondContact O-N 2.91Å; K598-A602 WeakPolarHBondContact O-CB 3.43Å; K598-A602 PolarHBondContact O-N 3.37Å
599	S	93.8	Very high	90.9	Very high	63 Å²	63	63.4 Å²	63.4	44%	0.441	34%	0.335	S	S	.	.	H	α-helix	trans	-64.5	-40.7	176.8	59.3	0	0	0	0	111.9	T595 Q596 Y601 A602 Q603	T595-S599 PolarHBondContact O-N 2.98Å; T595-S599 PolarHBondContact O-OG 2.86Å; Q596-S599 WeakPolarHBondContact CA-OG 3.47Å; Q596-S599 PolarHBondContact O-N 3.01Å; Q596-S599 PolarHBondContact O-OG 2.83Å; S599-Y601 VanDerWaalsContact C-N 3.33Å; S599-Y601 PolarHBondContact O-N 3.34Å; S599-A602 PolarHBondContact O-N 3.01Å; S599-Q603 WeakPolarHBondContact O-CB 3.41Å; S599-Q603 PolarHBondContact O-N 2.82Å
600	D	93.8	Very high	91.3	Very high	38 Å²	38	66.8 Å²	66.8	20%	0.203	35%	0.352	C	S	.	.	H	α-helix	trans	-64.6	-39.4	179.1	-73.4	6.1	0	0	0	111.7	K587 Q596 I597 K598 L604	K587-D600 IonicContact NZ-OD2 3.55Å; K587-D600 PolarHBondContact NZ-OD2 3.12Å; Q596-D600 WeakPolarHBondContact O-CB 3.47Å; Q596-D600 VanDerWaalsContact O-CG 3.24Å; Q596-D600 PolarHBondContact O-N 2.83Å; I597-D600 PolarHBondContact O-N 3.36Å; K598-D600 VanDerWaalsContact C-N 3.35Å; D600-L604 WeakPolarHBondContact O-CB 3.49Å; D600-L604 PolarHBondContact O-N 3.31Å
601	Y	94.6	Very high	91.8	Very high	13 Å²	13	64 Å²	64	5%	0.051	34%	0.337	C	S	.	.	H	α-helix	trans	-70.4	-37	176.2	-66.7	-15.2	0	0	0	112.6	K536 I540 N543 M584 K587 I597 K598 S599 L604 L605	K536-Y601 HydrophobicContact CG-CE2 4.42Å; I540-Y601 HydrophobicContact CG1-CE2 4.28Å; N543-Y601 PolarHBondContact ND2-O 3.33Å; N543-Y601 VanDerWaalsContact ND2-O 3.11Å; M584-Y601 HydrophobicContact CB-CE1 3.86Å; M584-Y601 HydrophobicContact CG-CD1 4.33Å; M584-Y601 HydrophobicContact CG-CE1 3.93Å; M584-Y601 PolarHBondContact O-OH 3.21Å; M584-Y601 HydrophobicContact SD-CD1 4.24Å; M584-Y601 HydrophobicContact SD-CE1 4.24Å; K587-Y601 HydrophobicContact CG-CE1 4.23Å; I597-Y601 HydrophobicContact CG2-CD2 3.88Å; I597-Y601 HydrophobicContact CG2-CE1 4.3Å; I597-Y601 HydrophobicContact CG2-CE2 3.36Å; I597-Y601 VanDerWaalsContact O-CG 3.28Å; I597-Y601 PolarHBondContact O-N 2.82Å; K598-Y601 PolarHBondContact O-N 2.91Å; S599-Y601 VanDerWaalsContact C-N 3.33Å; S599-Y601 PolarHBondContact O-N 3.34Å; Y601-L604 PolarHBondContact O-N 2.87Å; Y601-L605 PolarHBondContact O-N 2.76Å; Y601-L605 VanDerWaalsContact O-N 3.1Å
602	A	94.2	Very high	92.2	Very high	48 Å²	48	56.2 Å²	56.2	40%	0.397	30%	0.303	S	S	.	.	H	α-helix	trans	-66.1	-42.7	173.6	0	0	0	0	0	111.6	K598 S599 L604 L605 E606	K598-A602 WeakPolarHBondContact O-CB 3.43Å; K598-A602 PolarHBondContact O-N 3.37Å; S599-A602 PolarHBondContact O-N 3.01Å; A602-L604 PolarHBondContact O-N 3Å; A602-L605 WeakPolarHBondContact O-CB 3.4Å; A602-L605 PolarHBondContact O-N 3.15Å; A602-L605 VanDerWaalsContact O-N 3.16Å; A602-E606 PolarHBondContact O-N 3.16Å
603	Q	94.8	Very high	92.6	Very high	104 Å²	104	61 Å²	61	49%	0.486	32%	0.319	S	S	.	.	H	α-helix	trans	-63.4	-41.4	176.2	-172	175.5	9.1	0	0	111.6	S599 L605 E606 D607	S599-Q603 WeakPolarHBondContact O-CB 3.41Å; S599-Q603 PolarHBondContact O-N 2.82Å; Q603-L605 VanDerWaalsContact C-N 3.27Å; Q603-L605 PolarHBondContact O-N 2.86Å; Q603-E606 PolarHBondContact O-N 3.14Å; Q603-D607 WeakPolarHBondContact O-CB 3.2Å; Q603-D607 PolarHBondContact O-N 2.93Å
604	L	94.4	Very high	92.7	Very high	6 Å²	6	63.7 Å²	63.7	3%	0.031	33%	0.334	C	S	.	.	H	α-helix	trans	-61.1	-37	174.3	178.9	60.8	0	0	0	112.2	R580 L581 M584 D600 Y601 A602 M608	R580-L604 HydrophobicContact CB-CD1 3.65Å; R580-L604 HydrophobicContact CB-CD2 4.34Å; R580-L604 HydrophobicContact CG-CD1 4.48Å; L581-L604 HydrophobicContact CD2-CD2 4.05Å; M584-L604 HydrophobicContact CG-CD2 3.93Å; M584-L604 HydrophobicContact SD-CD2 3.79Å; D600-L604 WeakPolarHBondContact O-CB 3.49Å; D600-L604 PolarHBondContact O-N 3.31Å; Y601-L604 PolarHBondContact O-N 2.87Å; A602-L604 PolarHBondContact O-N 3Å; L604-M608 VanDerWaalsContact O-CB 3.28Å; L604-M608 WeakPolarHBondContact O-CB 3.21Å; L604-M608 PolarHBondContact O-N 2.84Å
605	L	94	Very high	92.4	Very high	50 Å²	50	60.8 Å²	60.8	26%	0.262	32%	0.321	S	S	.	.	H	α-helix	trans	-65.2	-42.9	175.6	-175	72.6	0	0	0	111.6	A546 M550 Y601 A602 Q603 M608 Q609	A546-L605 HydrophobicContact CB-CD1 3.59Å; M550-L605 HydrophobicContact CE-CD1 4.47Å; Y601-L605 PolarHBondContact O-N 2.76Å; Y601-L605 VanDerWaalsContact O-N 3.1Å; A602-L605 WeakPolarHBondContact O-CB 3.4Å; A602-L605 PolarHBondContact O-N 3.15Å; A602-L605 VanDerWaalsContact O-N 3.16Å; Q603-L605 VanDerWaalsContact C-N 3.27Å; Q603-L605 PolarHBondContact O-N 2.86Å; L605-M608 HydrophobicContact CD1-CE 3.48Å; L605-M608 VanDerWaalsContact CD1-CE 3.48Å; L605-M608 PolarHBondContact O-N 3.02Å; L605-Q609 WeakPolarHBondContact O-CG 3.46Å; L605-Q609 PolarHBondContact O-N 2.8Å
606	E	94.8	Very high	91.7	Very high	120 Å²	120	59.7 Å²	59.7	56%	0.561	31%	0.308	S	S	*	.	H	α-helix	trans	-64	-45.8	175.3	-71.1	-175.9	175.7	0	0	112	A602 Q603 M608 Q609 N610	A602-E606 PolarHBondContact O-N 3.16Å; Q603-E606 PolarHBondContact O-N 3.14Å; E606-M608 VanDerWaalsContact C-N 3.28Å; E606-M608 PolarHBondContact O-N 2.9Å; E606-Q609 PolarHBondContact O-N 3.09Å; E606-N610 VanDerWaalsContact O-CG 3.31Å; E606-N610 PolarHBondContact O-N 3.45Å; E606-N610 PolarHBondContact O-ND2 2.91Å
607	D	94.1	Very high	90.8	Very high	47 Å²	47	64 Å²	64	25%	0.251	33%	0.334	S	S	.	.	H	α-helix	trans	-57.9	-44	176.5	-68.1	-24.7	0	0	0	110.7	R580 Q603 N610 S611	R580-D607 IonicContact CZ-OD2 2.78Å; R580-D607 IonicContact NH1-OD2 3.86Å; R580-D607 PolarHBondContact NH1-OD2 2.65Å; R580-D607 IonicContact NH2-OD2 3.2Å; R580-D607 PolarHBondContact NH2-OD2 2.82Å; Q603-D607 WeakPolarHBondContact O-CB 3.2Å; Q603-D607 PolarHBondContact O-N 2.93Å; D607-N610 PolarHBondContact O-N 2.84Å; D607-S611 PolarHBondContact O-N 2.82Å; D607-S611 PolarHBondContact O-OG 3.19Å
608	M	94	Very high	90.7	Very high	1 Å²	1	67.2 Å²	67.2	1%	0.005	35%	0.35	C	S	.	.	H	α-helix	trans	-61.9	-46.1	177.1	-179.7	174.2	72.5	0	0	112.3	A546 F547 M550 I577 L604 L605 E606 N610 S611 F612	A546-M608 HydrophobicContact CB-CE 3.76Å; F547-M608 HydrophobicContact CB-CE 4.33Å; F547-M608 HydrophobicContact CB-SD 3.57Å; F547-M608 VanDerWaalsContact CB-SD 3.57Å; F547-M608 HydrophobicContact CD2-CG 4.45Å; F547-M608 HydrophobicContact CD2-SD 3.73Å; F547-M608 HydrophobicContact CG-SD 4.14Å; M550-M608 HydrophobicContact CE-CE 4.1Å; M550-M608 HydrophobicContact SD-CE 3.9Å; M550-M608 HydrophobicContact SD-CG 4.33Å; I577-M608 HydrophobicContact CG2-CB 4.21Å; I577-M608 HydrophobicContact CG2-CG 4.13Å; I577-M608 HydrophobicContact CG2-SD 4.39Å; L604-M608 VanDerWaalsContact O-CB 3.28Å; L604-M608 WeakPolarHBondContact O-CB 3.21Å; L604-M608 PolarHBondContact O-N 2.84Å; L605-M608 HydrophobicContact CD1-CE 3.48Å; L605-M608 VanDerWaalsContact CD1-CE 3.48Å; L605-M608 PolarHBondContact O-N 3.02Å; E606-M608 VanDerWaalsContact C-N 3.28Å; E606-M608 PolarHBondContact O-N 2.9Å; M608-N610 PolarHBondContact O-N 3.35Å; M608-N610 VanDerWaalsContact C-N 3.31Å; M608-S611 PolarHBondContact O-N 3.2Å; M608-F612 HydrophobicContact CG-CD2 3.78Å; M608-F612 HydrophobicContact CG-CE2 3.69Å; M608-F612 VanDerWaalsContact O-CD2 3.28Å; M608-F612 WeakPolarHBondContact O-CD2 3.24Å; M608-F612 PolarHBondContact O-N 2.62Å; M608-F612 HydrophobicContact SD-CE2 4.31Å
609	Q	93.4	Very high	90.6	Very high	70 Å²	70	65.6 Å²	65.6	33%	0.327	35%	0.346	S	S	.	.	H	α-helix	trans	-59.9	-41.7	176.2	-74.3	176	1.1	0	0	112	M550 L605 E606 F612 R613	M550-Q609 HydrophobicContact CE-CG 3.42Å; M550-Q609 VanDerWaalsContact CE-CG 3.42Å; M550-Q609 HydrophobicContact SD-CG 3.97Å; L605-Q609 WeakPolarHBondContact O-CG 3.46Å; L605-Q609 PolarHBondContact O-N 2.8Å; E606-Q609 PolarHBondContact O-N 3.09Å; Q609-F612 PolarHBondContact O-N 3.09Å; Q609-R613 WeakPolarHBondContact O-CG 3.44Å; Q609-R613 PolarHBondContact O-N 2.9Å; Q609-R613 VanDerWaalsContact O-N 3.08Å
610	N	92.6	Very high	90.4	Very high	86 Å²	86	65.7 Å²	65.7	46%	0.46	34%	0.341	S	S	.	.	H	α-helix	trans	-66	-40	178.6	-69.2	-31.2	0	0	0	111.9	E606 D607 M608 R613 S614	E606-N610 VanDerWaalsContact O-CG 3.31Å; E606-N610 PolarHBondContact O-N 3.45Å; E606-N610 PolarHBondContact O-ND2 2.91Å; D607-N610 PolarHBondContact O-N 2.84Å; M608-N610 PolarHBondContact O-N 3.35Å; M608-N610 VanDerWaalsContact C-N 3.31Å; N610-R613 PolarHBondContact O-N 3.06Å; N610-S614 PolarHBondContact O-N 3.2Å
611	S	90.9	Very high	90.2	Very high	45 Å²	45	67.4 Å²	67.4	32%	0.315	35%	0.349	S	S	.	.	H	α-helix	trans	-70.5	-33.6	176.9	-61.7	0	0	0	0	113.4	I577 D607 M608 S614 L615	I577-S611 WeakPolarHBondContact CD1-OG 3.48Å; D607-S611 PolarHBondContact O-N 2.82Å; D607-S611 PolarHBondContact O-OG 3.19Å; M608-S611 PolarHBondContact O-N 3.2Å; S611-S614 PolarHBondContact O-N 2.95Å; S611-L615 PolarHBondContact O-N 3.23Å; S611-L615 VanDerWaalsContact O-N 3.14Å
612	F	90.4	Very high	90	Very high	9 Å²	9	70.8 Å²	70.8	4%	0.039	37%	0.368	C	S	.	.	H	α-helix	trans	-66.9	-38.5	171.9	-86.1	-72.8	0	0	0	112.1	F547 M550 A551 I570 L574 M608 Q609 L615 E616	F547-F612 AromaticContact CD2-CE2 3.76Å; F547-F612 HydrophobicContact CD2-CE2 3.76Å; F547-F612 AromaticContact CD2-CZ 3.84Å; F547-F612 HydrophobicContact CD2-CZ 3.84Å; F547-F612 AromaticContact CE2-CE2 3.97Å; F547-F612 HydrophobicContact CE2-CE2 3.97Å; F547-F612 AromaticContact CE2-CZ 3.68Å; F547-F612 HydrophobicContact CE2-CZ 3.68Å; F547-F612 HydrophobicContact CZ-CZ 4.43Å; M550-F612 HydrophobicContact CB-CD1 4.39Å; M550-F612 HydrophobicContact CB-CD2 3.83Å; M550-F612 HydrophobicContact CB-CE1 4.34Å; M550-F612 HydrophobicContact CB-CE2 3.76Å; M550-F612 HydrophobicContact CB-CG 4.16Å; M550-F612 HydrophobicContact CB-CZ 4.03Å; M550-F612 HydrophobicContact CG-CD2 4.45Å; M550-F612 HydrophobicContact SD-CD2 3.88Å; M550-F612 HydrophobicContact SD-CE2 4.29Å; A551-F612 HydrophobicContact CB-CE1 4.22Å; A551-F612 HydrophobicContact CB-CZ 4.07Å; I570-F612 HydrophobicContact CG2-CE1 4.41Å; L574-F612 HydrophobicContact CD1-CD1 4.06Å; L574-F612 HydrophobicContact CD1-CD2 4.2Å; L574-F612 HydrophobicContact CD1-CE1 3.54Å; L574-F612 HydrophobicContact CD1-CE2 3.7Å; L574-F612 HydrophobicContact CD1-CG 4.37Å; L574-F612 HydrophobicContact CD1-CZ 3.34Å; M608-F612 HydrophobicContact CG-CD2 3.78Å; M608-F612 HydrophobicContact CG-CE2 3.69Å; M608-F612 VanDerWaalsContact O-CD2 3.28Å; M608-F612 WeakPolarHBondContact O-CD2 3.24Å; M608-F612 PolarHBondContact O-N 2.62Å; M608-F612 HydrophobicContact SD-CE2 4.31Å; Q609-F612 PolarHBondContact O-N 3.09Å; F612-L615 WeakPolarHBondContact O-CB 3.25Å; F612-L615 PolarHBondContact O-N 2.76Å; F612-L615 VanDerWaalsContact O-N 3.14Å; F612-E616 PolarHBondContact O-N 3.15Å
613	R	88.7	Confident	89.7	Confident	149 Å²	149	72.3 Å²	72.3	56%	0.562	37%	0.366	S	S	*	.	H	α-helix	trans	-61	-45	172.5	-71.7	176.2	-174.5	162.3	4.4	111.8	Q609 N610 L615 E616 D617	Q609-R613 WeakPolarHBondContact O-CG 3.44Å; Q609-R613 PolarHBondContact O-N 2.9Å; Q609-R613 VanDerWaalsContact O-N 3.08Å; N610-R613 PolarHBondContact O-N 3.06Å; R613-L615 PolarHBondContact O-N 2.82Å; R613-E616 PolarHBondContact O-N 3.27Å; R613-E616 VanDerWaalsContact O-N 3.11Å; R613-D617 PolarHBondContact O-N 2.84Å
614	S	87.4	Confident	89.3	Confident	84 Å²	84	70 Å²	70	59%	0.587	36%	0.358	S	S	*	.	H	α-helix	trans	-65.2	-16.2	176.1	-177.5	0	0	0	0	114.3	N610 S611	N610-S614 PolarHBondContact O-N 3.2Å; S611-S614 PolarHBondContact O-N 2.95Å
615	L	84.6	Confident	88.9	Confident	26 Å²	26	74.9 Å²	74.9	14%	0.136	38%	0.383	C	S	.	.	H	α-helix	trans	-87.3	-29.3	175.1	-170.2	85.2	0	0	0	111.4	I565 I570 H573 S611 F612 R613	I565-L615 HydrophobicContact CD1-CD2 4.27Å; I565-L615 HydrophobicContact CD1-CG 4.48Å; I565-L615 HydrophobicContact CG2-CD2 3.91Å; I570-L615 HydrophobicContact CG1-CD2 3.8Å; H573-L615 HydrophobicContact CB-CD1 3.61Å; S611-L615 PolarHBondContact O-N 3.23Å; S611-L615 VanDerWaalsContact O-N 3.14Å; F612-L615 WeakPolarHBondContact O-CB 3.25Å; F612-L615 PolarHBondContact O-N 2.76Å; F612-L615 VanDerWaalsContact O-N 3.14Å; R613-L615 PolarHBondContact O-N 2.82Å
616	E	77.7	Confident	88.5	Confident	99 Å²	99	77 Å²	77	46%	0.463	39%	0.393	S	S	.	.	H	α-helix	trans	-82.1	-30.5	178	-70.6	-177.9	170.9	0	0	112.5	I565 F612 R613	I565-E616 HydrophobicContact CD1-CG 4.34Å; F612-E616 PolarHBondContact O-N 3.15Å; R613-E616 PolarHBondContact O-N 3.27Å; R613-E616 VanDerWaalsContact O-N 3.11Å
617	D	73.7	Confident	87.9	Confident	188 Å²	188	73.1 Å²	73.1	100%	1.005	38%	0.377	S	S	*	.			trans	-74	0	170.5	-69.4	-30.2	0	0	0	112.3	R613	R613-D617 PolarHBondContact O-N 2.84Å

Retrieved 617 of 617 residues in 1617.8 ms (Link to these results)

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