A0A087XFA8_POEFO Loading...

Phosphoinositide-3-kinase, regulatory subunit 2 (beta)

AlphaFold DB , UniProt , Accession A0A087XFA8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 729 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.6	Very low	73	Confident	221 Å²	221	58.9 Å²	58.9	100%	1.089	31%	0.306	S	S	*	.				0	121.7	0	-68	-178.9	-179.1	0	0	106.2
2	A	45.4	Very low	73.4	Confident	65 Å²	65	60.9 Å²	60.9	54%	0.537	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-73.4	129.3	179.2	0	0	0	0	0	108.7	K82	A2-K82 HydrophobicContact CB-CB 4.13Å; A2-K82 HydrophobicContact CB-CD 4.14Å; A2-K82 HydrophobicContact CB-CG 4.3Å
3	T	58.7	Low	73.9	Confident	32 Å²	32	62.9 Å²	62.9	20%	0.196	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	127.3	171.9	41	0	0	0	0	108.6	M83 H85	T3-M83 PolarHBondContact N-O 3.28Å; T3-M83 PolarHBondContact O-N 3.3Å; T3-M83 PolarHBondContact OG1-O 2.89Å; T3-M83 VanDerWaalsContact OG1-O 3.05Å; T3-H85 WeakPolarHBondContact CG2-CE1 3.27Å; T3-H85 WeakPolarHBondContact CG2-NE2 3.48Å
4	D	73.4	Confident	74.3	Confident	90 Å²	90	59.6 Å²	59.6	48%	0.481	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	138	172	-60.6	-36.7	0	0	0	109.1	K34	D4-K34 WeakPolarHBondContact O-CB 3.19Å; D4-K34 PolarHBondContact O-N 3.34Å
5	G	80.8	Confident	74.4	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	177.4	179.3	0	0	0	0	0	110.2	I32 P80 I81	G5-I32 CarbonylContact C-O 3.56Å; G5-I32 WeakPolarHBondContact CA-O 3.36Å; G5-P80 CarbonylContact O-C 3.48Å; G5-P80 WeakPolarHBondContact O-CA 3.45Å; G5-I81 CarbonylContact C-O 3.48Å; G5-I81 WeakPolarHBondContact CA-O 3.28Å; G5-I81 PolarHBondContact N-O 3.4Å; G5-I81 PolarHBondContact O-N 2.97Å; G5-I81 VanDerWaalsContact O-O 3.05Å
6	F	84.3	Confident	74.6	Confident	18 Å²	18	62.8 Å²	62.8	8%	0.079	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	139.5	-173.9	-59.1	-72.9	0	0	0	109.3	Y8 I32 K34 L37 E48 F77 P80	F6-Y8 HydrophobicContact CB-CD2 4.47Å; F6-Y8 HydrophobicContact CB-CE2 3.62Å; F6-I32 PolarHBondContact N-O 3.24Å; F6-I32 PolarHBondContact O-N 3.19Å; F6-K34 HydrophobicContact CE2-CB 4.06Å; F6-K34 HydrophobicContact CE2-CD 4.35Å; F6-K34 HydrophobicContact CE2-CG 4.07Å; F6-K34 HydrophobicContact CZ-CD 4.44Å; F6-L37 HydrophobicContact CD2-CD1 4.07Å; F6-E48 HydrophobicContact CD1-CB 4.27Å; F6-E48 HydrophobicContact CD1-CG 4.37Å; F6-E48 HydrophobicContact CD2-CG 4.08Å; F6-E48 HydrophobicContact CE1-CB 4.27Å; F6-E48 HydrophobicContact CE1-CG 4.05Å; F6-E48 HydrophobicContact CE2-CG 3.74Å; F6-E48 WeakPolarHBondContact CE2-OE1 3.08Å; F6-E48 HydrophobicContact CG-CB 4.42Å; F6-E48 HydrophobicContact CG-CG 4.38Å; F6-E48 HydrophobicContact CZ-CB 4.44Å; F6-E48 HydrophobicContact CZ-CG 3.73Å; F6-E48 WeakPolarHBondContact CZ-OE1 3.21Å; F6-F77 HydrophobicContact CB-CE2 4.03Å; F6-F77 AromaticContact CD1-CE2 3.71Å; F6-F77 HydrophobicContact CD1-CE2 3.71Å; F6-F77 HydrophobicContact CD1-CZ 4.13Å; F6-F77 HydrophobicContact CG-CE2 4.21Å; F6-P80 HydrophobicContact CD1-CB 4.15Å; F6-P80 HydrophobicContact CE1-CB 4.19Å
7	Q	86.1	Confident	74.1	Confident	39 Å²	39	67.1 Å²	67.1	18%	0.182	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	135.1	178.6	-170.3	169.8	52.8	0	0	109.9	L29 L30 V78 G79 I81	Q7-L29 HydrophobicContact CG-CD2 4.08Å; Q7-L30 CarbonylContact C-O 3.5Å; Q7-L30 WeakPolarHBondContact CA-O 3.29Å; Q7-V78 HydrophobicContact CB-CB 4.41Å; Q7-V78 HydrophobicContact CG-CB 4.43Å; Q7-V78 WeakPolarHBondContact O-CB 3.42Å; Q7-V78 PolarHBondContact O-N 3.43Å; Q7-G79 PolarHBondContact N-O 3.11Å; Q7-G79 PolarHBondContact O-N 2.9Å; Q7-I81 HydrophobicContact CB-CD1 4.24Å; Q7-I81 HydrophobicContact CB-CG1 4.39Å; Q7-I81 HydrophobicContact CB-CG2 3.91Å
8	Y	86	Confident	73.9	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	146.3	179	-62.6	-91.5	0	0	0	109.6	F6 L29 L30 I32 L37 E48 P51 V75 E76 F77	F6-Y8 HydrophobicContact CB-CD2 4.47Å; F6-Y8 HydrophobicContact CB-CE2 3.62Å; Y8-L29 CarbonylContact O-C 3.48Å; Y8-L29 WeakPolarHBondContact O-CA 3.33Å; Y8-L30 PolarHBondContact N-O 3.48Å; Y8-L30 PolarHBondContact O-N 2.9Å; Y8-I32 HydrophobicContact CD2-CD1 3.42Å; Y8-I32 VanDerWaalsContact CD2-CD1 3.42Å; Y8-I32 HydrophobicContact CD2-CG1 3.96Å; Y8-I32 HydrophobicContact CE2-CB 4.24Å; Y8-I32 HydrophobicContact CE2-CD1 3.35Å; Y8-I32 HydrophobicContact CE2-CG1 4.04Å; Y8-I32 HydrophobicContact CG-CD1 4.4Å; Y8-L37 HydrophobicContact CE2-CD1 4.27Å; Y8-L37 WeakPolarHBondContact OH-CD1 3.21Å; Y8-E48 VanDerWaalsContact CE1-O 3.27Å; Y8-E48 WeakPolarHBondContact CE1-O 3.46Å; Y8-E48 PolarHBondContact OH-O 3.32Å; Y8-P51 HydrophobicContact CD1-CB 3.96Å; Y8-P51 HydrophobicContact CD1-CG 4.11Å; Y8-P51 HydrophobicContact CE1-CB 3.75Å; Y8-P51 HydrophobicContact CE1-CG 4.09Å; Y8-V75 HydrophobicContact CD1-CG2 3.91Å; Y8-V75 HydrophobicContact CG-CG2 4.13Å; Y8-E76 CarbonylContact C-O 3.56Å; Y8-E76 WeakPolarHBondContact CA-O 3.42Å; Y8-F77 HydrophobicContact CD1-CB 4.16Å; Y8-F77 HydrophobicContact CD1-CD2 4.26Å; Y8-F77 HydrophobicContact CE1-CB 3.94Å; Y8-F77 AromaticContact CE1-CD2 3.64Å; Y8-F77 HydrophobicContact CE1-CD2 3.64Å; Y8-F77 HydrophobicContact CE1-CG 4.3Å; Y8-F77 AromaticContact CZ-CD2 3.83Å
9	R	84.3	Confident	73.6	Confident	109 Å²	109	74.1 Å²	74.1	41%	0.411	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	127.2	176.3	177.3	174.2	60.8	-160.8	-2.1	109.1	L11 D28 L29 V75 E76 V78	R9-L11 PolarHBondContact O-N 3.22Å; R9-D28 CarbonylContact C-O 3.56Å; R9-D28 WeakPolarHBondContact CA-O 3.46Å; R9-L29 HydrophobicContact CB-CD2 4.2Å; R9-V75 CarbonylContact O-C 3.44Å; R9-V75 VanDerWaalsContact O-CA 3.26Å; R9-V75 WeakPolarHBondContact O-CA 3.31Å; R9-E76 IonicContact CZ-OE2 2.7Å; R9-E76 PolarHBondContact N-O 3.01Å; R9-E76 IonicContact NE-OE2 3.77Å; R9-E76 IonicContact NH2-OE2 3.88Å; R9-E76 PolarHBondContact NH2-OE2 3.23Å; R9-E76 PolarHBondContact O-N 3.39Å; R9-V78 HydrophobicContact CB-CG2 3.5Å
10	V	85.7	Confident	73.4	Confident	2 Å²	2	77.4 Å²	77.4	1%	0.012	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	127.8	176.4	177.8	0	0	0	0	109.7	Y12 L24 Q25 G27 D28 L30 V75	V10-Y12 WeakPolarHBondContact CG1-O 3.37Å; V10-L24 HydrophobicContact CB-CB 4.48Å; V10-L24 HydrophobicContact CG1-CB 3.71Å; V10-L24 HydrophobicContact CG1-CD1 4.46Å; V10-L24 HydrophobicContact CG2-CB 3.97Å; V10-L24 HydrophobicContact CG2-CD1 4.23Å; V10-L24 HydrophobicContact CG2-CD2 4.09Å; V10-L24 HydrophobicContact CG2-CG 4.32Å; V10-Q25 WeakPolarHBondContact CB-O 3.41Å; V10-Q25 VanDerWaalsContact CG1-O 3.32Å; V10-Q25 WeakPolarHBondContact CG1-O 3.39Å; V10-G27 PolarHBondContact O-N 3.4Å; V10-D28 HydrophobicContact CB-CB 4.08Å; V10-D28 HydrophobicContact CG2-CB 3.74Å; V10-D28 PolarHBondContact N-O 3.26Å; V10-L30 HydrophobicContact CG2-CD1 3.69Å; V10-L30 HydrophobicContact CG2-CD2 4.27Å; V10-L30 HydrophobicContact CG2-CG 3.79Å; V10-V75 HydrophobicContact CG2-CG1 4.12Å
11	L	76.4	Confident	73.8	Confident	72 Å²	72	74.4 Å²	74.4	38%	0.377	38%	0.377	S	S	.	.			trans	-96.4	-31.5	175.7	-65.5	-178.1	0	0	0	112.2	R9 F74 E76	R9-L11 PolarHBondContact O-N 3.22Å; L11-F74 PolarHBondContact N-O 3.41Å; L11-E76 HydrophobicContact CD1-CB 3.94Å; L11-E76 HydrophobicContact CD2-CB 4.06Å; L11-E76 HydrophobicContact CG-CB 3.97Å
12	Y	77.3	Confident	75.6	Confident	83 Å²	83	63.9 Å²	63.9	33%	0.325	33%	0.326	S	S	.	.	S	Bend	trans	-130.5	148	-173.4	-51.8	-80.1	0	0	0	111.4	V10 F14 F74	V10-Y12 WeakPolarHBondContact CG1-O 3.37Å; Y12-F14 PolarHBondContact O-N 3.42Å; Y12-F74 HydrophobicContact CG-CD1 4.47Å; Y12-F74 PolarHBondContact N-O 3.09Å
13	T	79.4	Confident	77.3	Confident	87 Å²	87	64 Å²	64	53%	0.534	32%	0.317	S	S	.	.			trans	-66.8	130.6	175.1	-44.6	0	0	0	0	109.7	L24 P26	T13-L24 WeakPolarHBondContact CA-O 3.22Å; T13-L24 WeakPolarHBondContact CG2-O 3.47Å; T13-P26 VanDerWaalsContact OG1-CD 3.26Å; T13-P26 WeakPolarHBondContact OG1-CD 3.23Å
14	F	79.6	Confident	78.5	Confident	17 Å²	17	62.5 Å²	62.5	8%	0.075	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-127.6	120.1	172.2	176.8	-102.3	0	0	0	108.2	Y12 D21 L22 D23 L24 W56 P71 F74	Y12-F14 PolarHBondContact O-N 3.42Å; F14-D21 HydrophobicContact CE1-CB 4.09Å; F14-L22 VanDerWaalsContact CD1-O 3.31Å; F14-L22 WeakPolarHBondContact CD1-O 3.31Å; F14-D23 WeakPolarHBondContact O-CA 3.37Å; F14-L24 HydrophobicContact CB-CB 3.94Å; F14-L24 HydrophobicContact CB-CD1 3.79Å; F14-L24 HydrophobicContact CB-CG 3.95Å; F14-L24 HydrophobicContact CD1-CD1 4.26Å; F14-L24 HydrophobicContact CD1-CG 4.24Å; F14-L24 HydrophobicContact CG-CD1 4.36Å; F14-L24 PolarHBondContact N-O 2.75Å; F14-L24 PolarHBondContact O-N 3.28Å; F14-W56 HydrophobicContact CE1-CH2 4.33Å; F14-W56 HydrophobicContact CE1-CZ3 4.41Å; F14-W56 HydrophobicContact CE2-CH2 4.25Å; F14-W56 AromaticContact CZ-CH2 3.66Å; F14-W56 HydrophobicContact CZ-CH2 3.66Å; F14-W56 HydrophobicContact CZ-CZ3 4.18Å; F14-P71 HydrophobicContact CD2-CG 4.12Å; F14-P71 HydrophobicContact CE2-CG 4.34Å; F14-P71 HydrophobicContact CG-CG 4.36Å; F14-F74 HydrophobicContact CB-CD1 3.9Å; F14-F74 HydrophobicContact CB-CE1 4.23Å; F14-F74 HydrophobicContact CD2-CE1 4.4Å
15	T	76.2	Confident	78.7	Confident	99 Å²	99	63.2 Å²	63.2	61%	0.607	31%	0.308	S	S	*	.			trans	-89.9	132.7	178.2	-28.1	0	0	0	0	108.5	D17 D23	T15-D17 PolarHBondContact O-N 3.19Å; T15-D23 WeakPolarHBondContact CA-OD1 3.49Å
16	K	77.5	Confident	78.8	Confident	71 Å²	71	66.9 Å²	66.9	31%	0.309	33%	0.332	S	S	.	.			trans	-59.6	114.3	179.3	178.4	174.6	-172.3	166.1	0	111.2	Q18 E19 D21 D23	K16-Q18 WeakPolarHBondContact CE-O 2.97Å; K16-Q18 WeakPolarHBondContact CG-O 3.47Å; K16-E19 WeakPolarHBondContact CE-O 3.47Å; K16-E19 PolarHBondContact NZ-O 3.06Å; K16-D21 WeakPolarHBondContact CD-O 3.16Å; K16-D21 WeakPolarHBondContact CE-O 3.45Å; K16-D21 HydrophobicContact CG-CB 4.06Å; K16-D21 WeakPolarHBondContact CG-O 3.34Å; K16-D21 PolarHBondContact NZ-O 3.32Å; K16-D23 WeakPolarHBondContact CB-OD1 3.46Å; K16-D23 PolarHBondContact N-OD1 2.86Å
17	D	66.8	Low	78.4	Confident	136 Å²	136	68.3 Å²	68.3	73%	0.727	35%	0.352	S	S	*	.			trans	-91.3	-29	176.9	-78.7	-28.2	0	0	0	112.3	T15	T15-D17 PolarHBondContact O-N 3.19Å
18	Q	69.9	Low	78.3	Confident	84 Å²	84	67 Å²	67	39%	0.393	35%	0.346	S	S	.	.	S	Bend	trans	-127.4	157.4	177.4	-53.6	-157.6	-25.6	0	0	112.2	K16 E20 D21 R94	K16-Q18 WeakPolarHBondContact CE-O 2.97Å; K16-Q18 WeakPolarHBondContact CG-O 3.47Å; Q18-E20 PolarHBondContact O-N 2.86Å; Q18-D21 WeakPolarHBondContact CB-OD2 3.5Å; Q18-D21 PolarHBondContact N-OD2 3.22Å; Q18-D21 PolarHBondContact O-N 2.83Å; Q18-R94 VanDerWaalsContact NE2-NH2 3.11Å
19	E	68.1	Low	78.2	Confident	183 Å²	183	70 Å²	70	86%	0.855	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-21.8	179.3	-76.7	-168.9	170.3	0	0	114.3	K16	K16-E19 WeakPolarHBondContact CE-O 3.47Å; K16-E19 PolarHBondContact NZ-O 3.06Å
20	E	70.4	Confident	78.3	Confident	139 Å²	139	64.8 Å²	64.8	65%	0.65	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-12.4	-178.9	-58.7	-178.4	178	0	0	113.3	Q18 G68 D69	Q18-E20 PolarHBondContact O-N 2.86Å; E20-G68 CarbonylContact O-C 3.6Å; E20-G68 WeakPolarHBondContact O-CA 3.01Å; E20-D69 PolarHBondContact O-N 3.42Å
21	D	81.9	Confident	78.3	Confident	15 Å²	15	64.9 Å²	64.9	8%	0.08	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-85.8	156	-178.5	-54.9	-34.2	0	0	0	112.5	F14 K16 Q18 D69	F14-D21 HydrophobicContact CE1-CB 4.09Å; K16-D21 WeakPolarHBondContact CD-O 3.16Å; K16-D21 WeakPolarHBondContact CE-O 3.45Å; K16-D21 HydrophobicContact CG-CB 4.06Å; K16-D21 WeakPolarHBondContact CG-O 3.34Å; K16-D21 PolarHBondContact NZ-O 3.32Å; Q18-D21 WeakPolarHBondContact CB-OD2 3.5Å; Q18-D21 PolarHBondContact N-OD2 3.22Å; Q18-D21 PolarHBondContact O-N 2.83Å; D21-D69 WeakPolarHBondContact CA-O 3.24Å
22	L	79.9	Confident	78.6	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.005	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-96.1	131.1	174.1	-80.8	170.8	0	0	0	112.3	F14 L24 G59 N61 Q66 G68 D69 F70	F14-L22 VanDerWaalsContact CD1-O 3.31Å; F14-L22 WeakPolarHBondContact CD1-O 3.31Å; L22-L24 HydrophobicContact CB-CD2 3.83Å; L22-L24 PolarHBondContact O-N 2.88Å; L22-G59 WeakPolarHBondContact CD1-O 3.4Å; L22-N61 HydrophobicContact CD1-CB 4.29Å; L22-N61 HydrophobicContact CD2-CB 4.26Å; L22-Q66 HydrophobicContact CD2-CB 3.62Å; L22-Q66 WeakPolarHBondContact CD2-O 3.2Å; L22-G68 WeakPolarHBondContact CD1-O 3.4Å; L22-D69 PolarHBondContact N-O 3.17Å; L22-F70 HydrophobicContact CD1-CD1 4.12Å
23	D	80.3	Confident	78.8	Confident	67 Å²	67	58.3 Å²	58.3	36%	0.358	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-67.8	122.6	162.5	-80.9	-46.8	0	0	0	109.9	F14 T15 K16 N61	F14-D23 WeakPolarHBondContact O-CA 3.37Å; T15-D23 WeakPolarHBondContact CA-OD1 3.49Å; K16-D23 WeakPolarHBondContact CB-OD1 3.46Å; K16-D23 PolarHBondContact N-OD1 2.86Å; D23-N61 PolarHBondContact O-ND2 2.93Å
24	L	83.4	Confident	78.7	Confident	1 Å²	1	57.8 Å²	57.8	1%	0.005	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-114.4	133.5	-178.9	-48.8	179.1	0	0	0	110.4	V10 T13 F14 L22 L30 F70	V10-L24 HydrophobicContact CB-CB 4.48Å; V10-L24 HydrophobicContact CG1-CB 3.71Å; V10-L24 HydrophobicContact CG1-CD1 4.46Å; V10-L24 HydrophobicContact CG2-CB 3.97Å; V10-L24 HydrophobicContact CG2-CD1 4.23Å; V10-L24 HydrophobicContact CG2-CD2 4.09Å; V10-L24 HydrophobicContact CG2-CG 4.32Å; T13-L24 WeakPolarHBondContact CA-O 3.22Å; T13-L24 WeakPolarHBondContact CG2-O 3.47Å; F14-L24 HydrophobicContact CB-CB 3.94Å; F14-L24 HydrophobicContact CB-CD1 3.79Å; F14-L24 HydrophobicContact CB-CG 3.95Å; F14-L24 HydrophobicContact CD1-CD1 4.26Å; F14-L24 HydrophobicContact CD1-CG 4.24Å; F14-L24 HydrophobicContact CG-CD1 4.36Å; F14-L24 PolarHBondContact N-O 2.75Å; F14-L24 PolarHBondContact O-N 3.28Å; L22-L24 HydrophobicContact CB-CD2 3.83Å; L22-L24 PolarHBondContact O-N 2.88Å; L24-L30 HydrophobicContact CD1-CD1 4.39Å; L24-L30 HydrophobicContact CD2-CD1 3.71Å; L24-L30 HydrophobicContact CD2-CD2 3.91Å; L24-L30 HydrophobicContact CD2-CG 4.4Å; L24-F70 HydrophobicContact CD1-CB 3.67Å; L24-F70 HydrophobicContact CD1-CG 4.4Å; L24-F70 HydrophobicContact CD2-CB 4.25Å; L24-F70 HydrophobicContact CG-CB 4.37Å
25	Q	79.1	Confident	78.2	Confident	104 Å²	104	60 Å²	60	49%	0.486	33%	0.326	S	S	.	.			trans	-115.3	145	167.6	-69.8	-172.9	-15.6	0	0	110.5	V10 G27 D28	V10-Q25 WeakPolarHBondContact CB-O 3.41Å; V10-Q25 VanDerWaalsContact CG1-O 3.32Å; V10-Q25 WeakPolarHBondContact CG1-O 3.39Å; Q25-G27 PolarHBondContact O-N 3.15Å; Q25-D28 PolarHBondContact N-OD2 2.85Å; Q25-D28 VanDerWaalsContact O-CB 3.25Å; Q25-D28 WeakPolarHBondContact O-CB 3.31Å; Q25-D28 VanDerWaalsContact O-CG 3.26Å; Q25-D28 PolarHBondContact O-N 3.48Å
26	P	81.4	Confident	78	Confident	77 Å²	77	55.6 Å²	55.6	50%	0.5	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	127.4	177.2	-25.9	34.1	0	0	0	111.5	T13	T13-P26 VanDerWaalsContact OG1-CD 3.26Å; T13-P26 WeakPolarHBondContact OG1-CD 3.23Å
27	G	75.9	Confident	77.7	Confident	49 Å²	49	52.3 Å²	52.3	51%	0.505	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.7	-8.7	-175.4	0	0	0	0	0	115.2	V10 Q25	V10-G27 PolarHBondContact O-N 3.4Å; Q25-G27 PolarHBondContact O-N 3.15Å
28	D	84.9	Confident	77.7	Confident	11 Å²	11	51.1 Å²	51.1	6%	0.059	28%	0.277	C	S	.	.			trans	-62.2	140.1	173.5	-77.5	-8.9	0	0	0	111.1	R9 V10 Q25 N61 R63	R9-D28 CarbonylContact C-O 3.56Å; R9-D28 WeakPolarHBondContact CA-O 3.46Å; V10-D28 HydrophobicContact CB-CB 4.08Å; V10-D28 HydrophobicContact CG2-CB 3.74Å; V10-D28 PolarHBondContact N-O 3.26Å; Q25-D28 PolarHBondContact N-OD2 2.85Å; Q25-D28 VanDerWaalsContact O-CB 3.25Å; Q25-D28 WeakPolarHBondContact O-CB 3.31Å; Q25-D28 VanDerWaalsContact O-CG 3.26Å; Q25-D28 PolarHBondContact O-N 3.48Å; D28-N61 PolarHBondContact OD2-ND2 3.45Å; D28-R63 VanDerWaalsContact CG-NE 3.28Å; D28-R63 WeakPolarHBondContact OD1-CD 3.21Å; D28-R63 IonicContact OD1-CZ 2.7Å; D28-R63 IonicContact OD1-NE 3.53Å; D28-R63 PolarHBondContact OD1-NE 2.52Å; D28-R63 IonicContact OD1-NH2 2.55Å; D28-R63 IonicContact OD2-CZ 2.78Å; D28-R63 IonicContact OD2-NE 3.59Å; D28-R63 PolarHBondContact OD2-NE 3.22Å; D28-R63 VanDerWaalsContact OD2-NE 3.09Å; D28-R63 IonicContact OD2-NH2 3.48Å; D28-R63 PolarHBondContact OD2-NH2 3.04Å
29	L	84.5	Confident	77.5	Confident	63 Å²	63	50.2 Å²	50.2	33%	0.33	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	120.9	174.7	-70	169.6	0	0	0	109.5	Q7 Y8 R9 E62 V78	Q7-L29 HydrophobicContact CG-CD2 4.08Å; Y8-L29 CarbonylContact O-C 3.48Å; Y8-L29 WeakPolarHBondContact O-CA 3.33Å; R9-L29 HydrophobicContact CB-CD2 4.2Å; L29-E62 HydrophobicContact CB-CB 4.33Å; L29-E62 HydrophobicContact CB-CG 4.32Å; L29-E62 WeakPolarHBondContact O-CB 3.44Å; L29-E62 WeakPolarHBondContact O-CG 3.34Å; L29-E62 PolarHBondContact O-N 3.41Å; L29-V78 HydrophobicContact CD2-CG2 4.3Å
30	L	85.3	Confident	77.5	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	134.9	177.7	-54.1	-176.7	0	0	0	109.7	Q7 Y8 V10 L24 Y60 N61 F70 V75	Q7-L30 CarbonylContact C-O 3.5Å; Q7-L30 WeakPolarHBondContact CA-O 3.29Å; Y8-L30 PolarHBondContact N-O 3.48Å; Y8-L30 PolarHBondContact O-N 2.9Å; V10-L30 HydrophobicContact CG2-CD1 3.69Å; V10-L30 HydrophobicContact CG2-CD2 4.27Å; V10-L30 HydrophobicContact CG2-CG 3.79Å; L24-L30 HydrophobicContact CD1-CD1 4.39Å; L24-L30 HydrophobicContact CD2-CD1 3.71Å; L24-L30 HydrophobicContact CD2-CD2 3.91Å; L24-L30 HydrophobicContact CD2-CG 4.4Å; L30-Y60 CarbonylContact C-O 3.53Å; L30-Y60 WeakPolarHBondContact CA-O 3.27Å; L30-N61 HydrophobicContact CD2-CB 3.43Å; L30-N61 VanDerWaalsContact CD2-CB 3.43Å; L30-F70 HydrophobicContact CB-CE1 4.07Å; L30-F70 HydrophobicContact CB-CZ 3.83Å; L30-F70 HydrophobicContact CD1-CB 4.49Å; L30-F70 HydrophobicContact CD1-CD1 3.67Å; L30-F70 HydrophobicContact CD1-CD2 3.59Å; L30-F70 HydrophobicContact CD1-CE1 3.52Å; L30-F70 HydrophobicContact CD1-CE2 3.49Å; L30-F70 VanDerWaalsContact CD1-CE2 3.49Å; L30-F70 HydrophobicContact CD1-CG 3.66Å; L30-F70 HydrophobicContact CD1-CZ 3.41Å; L30-F70 VanDerWaalsContact CD1-CZ 3.41Å; L30-F70 HydrophobicContact CG-CE1 4.34Å; L30-F70 HydrophobicContact CG-CZ 4.27Å; L30-V75 HydrophobicContact CD1-CG1 3.84Å
31	T	85.5	Confident	76.9	Confident	4 Å²	4	44.7 Å²	44.7	3%	0.025	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	124.9	-177.4	-59.2	0	0	0	0	109.8	G59 Y60 E62 I81 M83	T31-G59 CarbonylContact O-C 3.42Å; T31-G59 WeakPolarHBondContact O-CA 3.33Å; T31-Y60 PolarHBondContact N-O 3.28Å; T31-Y60 PolarHBondContact O-N 3.49Å; T31-E62 PolarHBondContact OG1-OE1 3.02Å; T31-E62 VanDerWaalsContact OG1-OE1 3.06Å; T31-I81 HydrophobicContact CG2-CD1 3.31Å; T31-I81 HydrophobicContact CG2-CG1 4.21Å; T31-M83 HydrophobicContact CG2-CE 3.22Å; T31-M83 HydrophobicContact CG2-CG 3.82Å; T31-M83 HydrophobicContact CG2-SD 3.23Å; T31-M83 WeakPolarHBondContact CG2-SD 3.47Å
32	I	83.6	Confident	75.7	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	133.7	-178.7	-55.8	173.9	0	0	0	109.9	G5 F6 Y8 L37 L57 F70	G5-I32 CarbonylContact C-O 3.56Å; G5-I32 WeakPolarHBondContact CA-O 3.36Å; F6-I32 PolarHBondContact N-O 3.24Å; F6-I32 PolarHBondContact O-N 3.19Å; Y8-I32 HydrophobicContact CD2-CD1 3.42Å; Y8-I32 VanDerWaalsContact CD2-CD1 3.42Å; Y8-I32 HydrophobicContact CD2-CG1 3.96Å; Y8-I32 HydrophobicContact CE2-CB 4.24Å; Y8-I32 HydrophobicContact CE2-CD1 3.35Å; Y8-I32 HydrophobicContact CE2-CG1 4.04Å; Y8-I32 HydrophobicContact CG-CD1 4.4Å; I32-L37 HydrophobicContact CG2-CB 4.2Å; I32-L37 HydrophobicContact CG2-CD1 4.05Å; I32-L57 HydrophobicContact CD1-CB 3.87Å; I32-L57 HydrophobicContact CD1-CD1 3.81Å; I32-L57 HydrophobicContact CD1-CG 4.31Å; I32-F70 HydrophobicContact CD1-CE1 4.25Å; I32-F70 HydrophobicContact CD1-CE2 4.13Å; I32-F70 HydrophobicContact CD1-CZ 3.41Å; I32-F70 VanDerWaalsContact CD1-CZ 3.41Å; I32-F70 HydrophobicContact CG1-CE1 4.33Å; I32-F70 HydrophobicContact CG1-CZ 3.84Å
33	S	81.5	Confident	75	Confident	14 Å²	14	48.6 Å²	48.6	10%	0.098	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	143.1	174.4	81.5	0	0	0	0	111.1	A35 S36 L37	S33-A35 PolarHBondContact O-N 2.94Å; S33-A35 VanDerWaalsContact O-N 3.13Å; S33-S36 WeakPolarHBondContact O-CB 3.47Å; S33-S36 PolarHBondContact O-N 3.28Å; S33-S36 WeakPolarHBondContact OG-CB 3.4Å; S33-S36 PolarHBondContact OG-N 3.34Å; S33-S36 VanDerWaalsContact OG-N 3.15Å; S33-S36 PolarHBondContact OG-OG 3.16Å; S33-L37 PolarHBondContact O-N 3.46Å; S33-L37 VanDerWaalsContact O-N 3.14Å
34	K	76.6	Confident	74.2	Confident	76 Å²	76	51.5 Å²	51.5	33%	0.33	29%	0.291	S	S	.	.	H	α-helix	trans	-55.7	-33.2	176.4	-176.2	165.4	-173.1	162.9	0	112.3	D4 F6 L37 M38	D4-K34 WeakPolarHBondContact O-CB 3.19Å; D4-K34 PolarHBondContact O-N 3.34Å; F6-K34 HydrophobicContact CE2-CB 4.06Å; F6-K34 HydrophobicContact CE2-CD 4.35Å; F6-K34 HydrophobicContact CE2-CG 4.07Å; F6-K34 HydrophobicContact CZ-CD 4.44Å; K34-L37 PolarHBondContact O-N 2.93Å; K34-M38 HydrophobicContact CG-CG 4.32Å; K34-M38 WeakPolarHBondContact O-CB 3.38Å; K34-M38 WeakPolarHBondContact O-CG 3.11Å; K34-M38 PolarHBondContact O-N 3.41Å
35	A	70.4	Confident	73	Confident	63 Å²	63	57.6 Å²	57.6	52%	0.521	32%	0.323	S	S	.	.	H	α-helix	trans	-66.2	-36.9	175.9	0	0	0	0	0	113.6	S33 S39	S33-A35 PolarHBondContact O-N 2.94Å; S33-A35 VanDerWaalsContact O-N 3.13Å; A35-S39 PolarHBondContact O-N 2.92Å
36	S	71.2	Confident	72.2	Confident	8 Å²	8	54.3 Å²	54.3	6%	0.056	32%	0.317	C	S	.	.	H	α-helix	trans	-68.1	-38.4	174.7	-62.3	0	0	0	0	111.3	S33 S39	S33-S36 WeakPolarHBondContact O-CB 3.47Å; S33-S36 PolarHBondContact O-N 3.28Å; S33-S36 WeakPolarHBondContact OG-CB 3.4Å; S33-S36 PolarHBondContact OG-N 3.34Å; S33-S36 VanDerWaalsContact OG-N 3.15Å; S33-S36 PolarHBondContact OG-OG 3.16Å; S36-S39 WeakPolarHBondContact O-CB 3.3Å; S36-S39 PolarHBondContact O-N 2.76Å; S36-S39 PolarHBondContact O-OG 3.37Å
37	L	71.8	Confident	71.5	Confident	2 Å²	2	53.3 Å²	53.3	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-72.1	-37.8	-179.2	-150.7	139.4	0	0	0	111.6	F6 Y8 I32 S33 K34 S39 V40 Y43 E48 L54	F6-L37 HydrophobicContact CD2-CD1 4.07Å; Y8-L37 HydrophobicContact CE2-CD1 4.27Å; Y8-L37 WeakPolarHBondContact OH-CD1 3.21Å; I32-L37 HydrophobicContact CG2-CB 4.2Å; I32-L37 HydrophobicContact CG2-CD1 4.05Å; S33-L37 PolarHBondContact O-N 3.46Å; S33-L37 VanDerWaalsContact O-N 3.14Å; K34-L37 PolarHBondContact O-N 2.93Å; L37-S39 PolarHBondContact O-N 3.22Å; L37-V40 WeakPolarHBondContact O-CB 3.49Å; L37-V40 PolarHBondContact O-N 3.45Å; L37-Y43 HydrophobicContact CD2-CD2 3.2Å; L37-Y43 HydrophobicContact CD2-CE2 3.1Å; L37-Y43 HydrophobicContact CD2-CG 4.3Å; L37-Y43 HydrophobicContact CG-CD2 4.49Å; L37-E48 HydrophobicContact CD2-CG 3.76Å; L37-L54 HydrophobicContact CD1-CD1 4.21Å; L37-L54 HydrophobicContact CD2-CD1 4.21Å; L37-L54 HydrophobicContact CG-CD1 4.36Å
38	M	67.1	Low	71.3	Confident	111 Å²	111	52 Å²	52	55%	0.547	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-16.4	170.3	-66.6	-75.5	-66.6	0	0	114	K34 V40 Y43	K34-M38 HydrophobicContact CG-CG 4.32Å; K34-M38 WeakPolarHBondContact O-CB 3.38Å; K34-M38 WeakPolarHBondContact O-CG 3.11Å; K34-M38 PolarHBondContact O-N 3.41Å; M38-V40 VanDerWaalsContact C-N 3.3Å; M38-Y43 HydrophobicContact CE-CE1 4.4Å; M38-Y43 HydrophobicContact CG-CE1 4.4Å; M38-Y43 HydrophobicContact SD-CD1 3.49Å; M38-Y43 WeakPolarHBondContact SD-CD1 3.41Å; M38-Y43 HydrophobicContact SD-CE1 3.11Å; M38-Y43 WeakPolarHBondContact SD-CE1 3.3Å
39	S	64.9	Low	70.6	Confident	64 Å²	64	57 Å²	57	45%	0.448	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-9.6	178.3	77.8	0	0	0	0	113.4	A35 S36 L37	A35-S39 PolarHBondContact O-N 2.92Å; S36-S39 WeakPolarHBondContact O-CB 3.3Å; S36-S39 PolarHBondContact O-N 2.76Å; S36-S39 PolarHBondContact O-OG 3.37Å; L37-S39 PolarHBondContact O-N 3.22Å
40	V	68	Low	70.2	Confident	25 Å²	25	59.4 Å²	59.4	15%	0.152	31%	0.314	C	S	.	.	S	Bend	trans	-78.4	122.1	174	-176.4	0	0	0	0	108.6	L37 M38 S42 Y43 L57	L37-V40 WeakPolarHBondContact O-CB 3.49Å; L37-V40 PolarHBondContact O-N 3.45Å; M38-V40 VanDerWaalsContact C-N 3.3Å; V40-S42 PolarHBondContact O-N 3.09Å; V40-Y43 WeakPolarHBondContact O-CB 3.49Å; V40-Y43 PolarHBondContact O-N 3.43Å; V40-Y43 VanDerWaalsContact O-N 3.14Å; V40-L57 HydrophobicContact CG2-CD2 4.28Å
41	Q	56.8	Low	69.6	Low	181 Å²	181	59.5 Å²	59.5	85%	0.846	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-20.6	-173.6	-72.8	179.2	1.6	0	0	114.5
42	S	57.3	Low	68.8	Low	61 Å²	61	63.6 Å²	63.6	43%	0.427	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	16.2	-178.6	39.4	0	0	0	0	114	V40	V40-S42 PolarHBondContact O-N 3.09Å
43	Y	64.8	Low	68.1	Low	37 Å²	37	71 Å²	71	15%	0.145	36%	0.361	C	S	.	.			trans	-77.3	124.2	-179.4	176.9	-99.2	0	0	0	113.1	L37 M38 V40 D45 E48 L54	L37-Y43 HydrophobicContact CD2-CD2 3.2Å; L37-Y43 HydrophobicContact CD2-CE2 3.1Å; L37-Y43 HydrophobicContact CD2-CG 4.3Å; L37-Y43 HydrophobicContact CG-CD2 4.49Å; M38-Y43 HydrophobicContact CE-CE1 4.4Å; M38-Y43 HydrophobicContact CG-CE1 4.4Å; M38-Y43 HydrophobicContact SD-CD1 3.49Å; M38-Y43 WeakPolarHBondContact SD-CD1 3.41Å; M38-Y43 HydrophobicContact SD-CE1 3.11Å; M38-Y43 WeakPolarHBondContact SD-CE1 3.3Å; V40-Y43 WeakPolarHBondContact O-CB 3.49Å; V40-Y43 PolarHBondContact O-N 3.43Å; V40-Y43 VanDerWaalsContact O-N 3.14Å; Y43-D45 PolarHBondContact OH-OD1 3.35Å; Y43-E48 HydrophobicContact CE2-CG 3.94Å; Y43-E48 PolarHBondContact OH-OE1 3.29Å; Y43-L54 HydrophobicContact CD2-CD2 4.41Å
44	E	64.7	Low	67.6	Low	129 Å²	129	70.5 Å²	70.5	60%	0.603	36%	0.358	S	S	*	.			trans	-124	144.4	163.9	-68.9	-174.7	168.2	0	0	109.1	G46 F47	E44-G46 PolarHBondContact O-N 3.09Å; E44-F47 HydrophobicContact CB-CD2 3.77Å; E44-F47 HydrophobicContact CB-CE2 3.87Å; E44-F47 WeakPolarHBondContact O-CB 3.44Å; E44-F47 PolarHBondContact O-N 3.02Å
45	D	57.9	Low	67.6	Low	129 Å²	129	67.6 Å²	67.6	69%	0.69	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	126.8	-179.7	-110.5	7.7	0	0	0	110.6	Y43	Y43-D45 PolarHBondContact OH-OD1 3.35Å
46	G	62.3	Low	68	Low	35 Å²	35	68 Å²	68	36%	0.361	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	98	-7.4	-175.1	0	0	0	0	0	115	E44 E48	E44-G46 PolarHBondContact O-N 3.09Å; G46-E48 WeakPolarHBondContact CA-OE2 3.41Å; G46-E48 PolarHBondContact N-OE2 3.26Å; G46-E48 PolarHBondContact O-N 3.44Å
47	F	66.6	Low	68.5	Low	56 Å²	56	67.7 Å²	67.7	25%	0.246	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-79.4	-6.5	170.9	-80.4	-121	0	0	0	112.7	E44 E49 Y50 R53 L54	E44-F47 HydrophobicContact CB-CD2 3.77Å; E44-F47 HydrophobicContact CB-CE2 3.87Å; E44-F47 WeakPolarHBondContact O-CB 3.44Å; E44-F47 PolarHBondContact O-N 3.02Å; F47-E49 PolarHBondContact O-N 3.4Å; F47-Y50 CarbonylContact O-C 3.58Å; F47-Y50 PolarHBondContact O-N 3.44Å; F47-R53 HydrophobicContact CD1-CB 3.94Å; F47-R53 HydrophobicContact CE1-CB 4.25Å; F47-L54 HydrophobicContact CB-CD2 3.88Å; F47-L54 WeakPolarHBondContact O-CD1 3.4Å
48	E	72.3	Confident	69	Low	21 Å²	21	70 Å²	70	10%	0.098	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-60.2	-29.4	175.6	-57.7	116.7	138.6	0	0	112.4	F6 Y8 L37 Y43 G46 Y50 F77	F6-E48 HydrophobicContact CD1-CB 4.27Å; F6-E48 HydrophobicContact CD1-CG 4.37Å; F6-E48 HydrophobicContact CD2-CG 4.08Å; F6-E48 HydrophobicContact CE1-CB 4.27Å; F6-E48 HydrophobicContact CE1-CG 4.05Å; F6-E48 HydrophobicContact CE2-CG 3.74Å; F6-E48 WeakPolarHBondContact CE2-OE1 3.08Å; F6-E48 HydrophobicContact CG-CB 4.42Å; F6-E48 HydrophobicContact CG-CG 4.38Å; F6-E48 HydrophobicContact CZ-CB 4.44Å; F6-E48 HydrophobicContact CZ-CG 3.73Å; F6-E48 WeakPolarHBondContact CZ-OE1 3.21Å; Y8-E48 VanDerWaalsContact CE1-O 3.27Å; Y8-E48 WeakPolarHBondContact CE1-O 3.46Å; Y8-E48 PolarHBondContact OH-O 3.32Å; L37-E48 HydrophobicContact CD2-CG 3.76Å; Y43-E48 HydrophobicContact CE2-CG 3.94Å; Y43-E48 PolarHBondContact OH-OE1 3.29Å; G46-E48 WeakPolarHBondContact CA-OE2 3.41Å; G46-E48 PolarHBondContact N-OE2 3.26Å; G46-E48 PolarHBondContact O-N 3.44Å; E48-Y50 VanDerWaalsContact C-N 3.29Å; E48-F77 HydrophobicContact CB-CE2 4.21Å; E48-F77 WeakPolarHBondContact O-CD2 3.37Å
49	E	70.3	Confident	69.7	Low	117 Å²	117	65 Å²	65	55%	0.547	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-76.5	-14.1	178.5	-60.5	-173.8	177	0	0	113.3	F47 P51 F77	F47-E49 PolarHBondContact O-N 3.4Å; E49-P51 VanDerWaalsContact C-CD 3.48Å; E49-P51 WeakPolarHBondContact O-CD 3.4Å; E49-F77 HydrophobicContact CB-CD1 4.26Å; E49-F77 HydrophobicContact CG-CD1 3.89Å; E49-F77 HydrophobicContact CG-CE1 3.83Å; E49-F77 HydrophobicContact CG-CZ 4.42Å
50	Y	74.8	Confident	70.6	Confident	113 Å²	113	65.6 Å²	65.6	44%	0.443	32%	0.317	S	S	.	.			trans	-123.3	67.6	-175.2	-60.7	-77	0	0	0	111.1	F47 E48 E52 R53	F47-Y50 CarbonylContact O-C 3.58Å; F47-Y50 PolarHBondContact O-N 3.44Å; E48-Y50 VanDerWaalsContact C-N 3.29Å; Y50-E52 WeakPolarHBondContact CA-OE2 3.15Å; Y50-E52 WeakPolarHBondContact CB-OE1 3.31Å; Y50-E52 WeakPolarHBondContact CD1-OE1 3.42Å; Y50-E52 PolarHBondContact O-N 3.01Å; Y50-E52 VanDerWaalsContact O-N 3.11Å; Y50-R53 PolarHBondContact O-N 3.47Å
51	P	72.3	Confident	71.3	Confident	2 Å²	2	64.4 Å²	64.4	1%	0.013	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-59.4	-24.4	-174.2	26.4	-36	0	0	0	113.8	Y8 E49 R53 L54 L57 G72 V75	Y8-P51 HydrophobicContact CD1-CB 3.96Å; Y8-P51 HydrophobicContact CD1-CG 4.11Å; Y8-P51 HydrophobicContact CE1-CB 3.75Å; Y8-P51 HydrophobicContact CE1-CG 4.09Å; E49-P51 VanDerWaalsContact C-CD 3.48Å; E49-P51 WeakPolarHBondContact O-CD 3.4Å; P51-R53 PolarHBondContact O-N 3.1Å; P51-L54 PolarHBondContact O-N 3.15Å; P51-L54 VanDerWaalsContact O-N 3.11Å; P51-L57 HydrophobicContact CB-CD1 4.4Å; P51-G72 CarbonylContact C-O 3.54Å; P51-G72 WeakPolarHBondContact CB-O 3.45Å; P51-G72 CarbonylContact O-C 3.5Å; P51-G72 VanDerWaalsContact O-CA 3.31Å; P51-G72 WeakPolarHBondContact O-CA 3.47Å; P51-V75 HydrophobicContact CB-CG2 3.75Å; P51-V75 HydrophobicContact CG-CG2 4.06Å; P51-V75 WeakPolarHBondContact CG-O 3.48Å
52	E	70.5	Confident	72.3	Confident	89 Å²	89	59 Å²	59	42%	0.416	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-61	-22.4	174.4	69.3	-76	176.3	0	0	113.9	Y50 T73	Y50-E52 WeakPolarHBondContact CA-OE2 3.15Å; Y50-E52 WeakPolarHBondContact CB-OE1 3.31Å; Y50-E52 WeakPolarHBondContact CD1-OE1 3.42Å; Y50-E52 PolarHBondContact O-N 3.01Å; Y50-E52 VanDerWaalsContact O-N 3.11Å; E52-T73 HydrophobicContact CB-CG2 4.06Å
53	R	69.1	Low	73.4	Confident	158 Å²	158	61.7 Å²	61.7	60%	0.596	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-92.4	-15.8	177.9	-59.5	-173.5	-179.4	-157.5	-1.5	113.4	F47 Y50 P51	F47-R53 HydrophobicContact CD1-CB 3.94Å; F47-R53 HydrophobicContact CE1-CB 4.25Å; Y50-R53 PolarHBondContact O-N 3.47Å; P51-R53 PolarHBondContact O-N 3.1Å
54	L	69.4	Low	73.9	Confident	3 Å²	3	61.7 Å²	61.7	2%	0.016	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-13.2	-176.1	-64.1	175.3	0	0	0	113.1	L37 Y43 F47 P51 L57	L37-L54 HydrophobicContact CD1-CD1 4.21Å; L37-L54 HydrophobicContact CD2-CD1 4.21Å; L37-L54 HydrophobicContact CG-CD1 4.36Å; Y43-L54 HydrophobicContact CD2-CD2 4.41Å; F47-L54 HydrophobicContact CB-CD2 3.88Å; F47-L54 WeakPolarHBondContact O-CD1 3.4Å; P51-L54 PolarHBondContact O-N 3.15Å; P51-L54 VanDerWaalsContact O-N 3.11Å; L54-L57 HydrophobicContact CB-CD1 4.37Å; L54-L57 HydrophobicContact CB-CD2 3.8Å; L54-L57 HydrophobicContact CB-CG 4.34Å; L54-L57 HydrophobicContact CD1-CD1 4.43Å; L54-L57 HydrophobicContact CD1-CD2 4.24Å
55	G	76.6	Confident	74.4	Confident	16 Å²	16	61.1 Å²	61.1	17%	0.165	29%	0.285	C	S	.	.			trans	75.5	-134.9	178.7	0	0	0	0	0	112.1	G72	G55-G72 WeakPolarHBondContact O-CA 3.46Å; G55-G72 PolarHBondContact O-N 2.79Å
56	W	78.8	Confident	75.3	Confident	71 Å²	71	59.5 Å²	59.5	27%	0.269	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	134.7	177.1	-75	85.5	0	0	0	111.2	F14 D69 F70	F14-W56 HydrophobicContact CE1-CH2 4.33Å; F14-W56 HydrophobicContact CE1-CZ3 4.41Å; F14-W56 HydrophobicContact CE2-CH2 4.25Å; F14-W56 AromaticContact CZ-CH2 3.66Å; F14-W56 HydrophobicContact CZ-CH2 3.66Å; F14-W56 HydrophobicContact CZ-CZ3 4.18Å; W56-D69 HydrophobicContact CE3-CB 4.03Å; W56-D69 HydrophobicContact CZ3-CB 4.43Å; W56-F70 VanDerWaalsContact CE3-C 3.47Å
57	L	81.6	Confident	76.1	Confident	2 Å²	2	62.6 Å²	62.6	1%	0.01	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	135.9	-175.2	-63.8	173	0	0	0	110.6	I32 V40 P51 L54 D69 F70	I32-L57 HydrophobicContact CD1-CB 3.87Å; I32-L57 HydrophobicContact CD1-CD1 3.81Å; I32-L57 HydrophobicContact CD1-CG 4.31Å; V40-L57 HydrophobicContact CG2-CD2 4.28Å; P51-L57 HydrophobicContact CB-CD1 4.4Å; L54-L57 HydrophobicContact CB-CD1 4.37Å; L54-L57 HydrophobicContact CB-CD2 3.8Å; L54-L57 HydrophobicContact CB-CG 4.34Å; L54-L57 HydrophobicContact CD1-CD1 4.43Å; L54-L57 HydrophobicContact CD1-CD2 4.24Å; L57-D69 WeakPolarHBondContact O-CA 3.13Å; L57-F70 HydrophobicContact CB-CD2 4.32Å; L57-F70 HydrophobicContact CB-CE1 4.45Å; L57-F70 HydrophobicContact CB-CE2 3.9Å; L57-F70 HydrophobicContact CB-CZ 4.02Å; L57-F70 HydrophobicContact CD1-CE2 4.1Å; L57-F70 PolarHBondContact N-O 2.88Å; L57-F70 VanDerWaalsContact O-CD1 3.24Å; L57-F70 WeakPolarHBondContact O-CD1 3.4Å; L57-F70 PolarHBondContact O-N 3.18Å
58	L	82.6	Confident	76.9	Confident	51 Å²	51	60.1 Å²	60.1	27%	0.267	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	117.1	174.3	-179.2	67.3	0	0	0	109.7	R67 D69	L58-R67 HydrophobicContact CD1-CG 4.29Å; L58-D69 WeakPolarHBondContact CA-OD1 3.33Å; L58-D69 VanDerWaalsContact CB-OD1 3.28Å; L58-D69 WeakPolarHBondContact CB-OD1 3.42Å; L58-D69 VanDerWaalsContact CD1-OD1 3.26Å; L58-D69 WeakPolarHBondContact CD1-OD1 3.33Å
59	G	83.1	Confident	77.3	Confident	4 Å²	4	61.4 Å²	61.4	4%	0.041	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	-171.2	177.3	0	0	0	0	0	114.1	L22 T31 R67 G68	L22-G59 WeakPolarHBondContact CD1-O 3.4Å; T31-G59 CarbonylContact O-C 3.42Å; T31-G59 WeakPolarHBondContact O-CA 3.33Å; G59-R67 WeakPolarHBondContact O-CA 3.47Å; G59-R67 WeakPolarHBondContact O-CG 3.28Å; G59-G68 PolarHBondContact N-O 2.79Å; G59-G68 VanDerWaalsContact N-O 3.12Å; G59-G68 PolarHBondContact O-N 3.03Å; G59-G68 VanDerWaalsContact O-N 3.1Å
60	Y	82.6	Confident	78	Confident	77 Å²	77	55.9 Å²	55.9	30%	0.302	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	122.1	-172.5	-176.4	-100.8	0	0	0	109.9	L30 T31 K65 Q66 R67	L30-Y60 CarbonylContact C-O 3.53Å; L30-Y60 WeakPolarHBondContact CA-O 3.27Å; T31-Y60 PolarHBondContact N-O 3.28Å; T31-Y60 PolarHBondContact O-N 3.49Å; Y60-K65 HydrophobicContact CE1-CD 3.97Å; Y60-K65 VanDerWaalsContact CE2-C 3.45Å; Y60-K65 WeakPolarHBondContact CE2-O 3.46Å; Y60-K65 WeakPolarHBondContact OH-CA 3.41Å; Y60-K65 VanDerWaalsContact OH-CB 3.23Å; Y60-K65 WeakPolarHBondContact OH-CB 3.19Å; Y60-K65 WeakPolarHBondContact OH-CD 3.47Å; Y60-K65 PolarHBondContact OH-O 2.74Å; Y60-Q66 WeakPolarHBondContact CA-O 3.25Å; Y60-Q66 WeakPolarHBondContact CD2-O 3.01Å; Y60-R67 HydrophobicContact CD2-CB 4.16Å
61	N	82.9	Confident	78.4	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	119.1	177	-175.2	-27.7	0	0	0	110.1	L22 D23 D28 L30 R63 T64 K65 Q66	L22-N61 HydrophobicContact CD1-CB 4.29Å; L22-N61 HydrophobicContact CD2-CB 4.26Å; D23-N61 PolarHBondContact O-ND2 2.93Å; D28-N61 PolarHBondContact OD2-ND2 3.45Å; L30-N61 HydrophobicContact CD2-CB 3.43Å; L30-N61 VanDerWaalsContact CD2-CB 3.43Å; N61-R63 VanDerWaalsContact C-N 3.28Å; N61-R63 PolarHBondContact O-N 3.2Å; N61-R63 WeakPolarHBondContact OD1-CB 3.48Å; N61-R63 PolarHBondContact OD1-N 2.91Å; N61-T64 WeakPolarHBondContact CB-OG1 3.27Å; N61-T64 PolarHBondContact OD1-N 3.46Å; N61-K65 VanDerWaalsContact O-CA 3.23Å; N61-K65 WeakPolarHBondContact O-CA 3.36Å; N61-K65 PolarHBondContact O-N 3.03Å; N61-Q66 PolarHBondContact N-O 3.49Å
62	E	78.8	Confident	78.7	Confident	67 Å²	67	50.4 Å²	50.4	31%	0.313	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-26.5	-177.6	-71.3	-63.9	160.3	0	0	113.4	L29 T31 K65	L29-E62 HydrophobicContact CB-CB 4.33Å; L29-E62 HydrophobicContact CB-CG 4.32Å; L29-E62 WeakPolarHBondContact O-CB 3.44Å; L29-E62 WeakPolarHBondContact O-CG 3.34Å; L29-E62 PolarHBondContact O-N 3.41Å; T31-E62 PolarHBondContact OG1-OE1 3.02Å; T31-E62 VanDerWaalsContact OG1-OE1 3.06Å; E62-K65 WeakPolarHBondContact O-CD 3.26Å; E62-K65 WeakPolarHBondContact O-CE 3.34Å; E62-K65 PolarHBondContact O-NZ 3.01Å; E62-K65 IonicContact OE2-NZ 3.79Å; E62-K65 PolarHBondContact OE2-NZ 3.47Å
63	R	78.9	Confident	79.2	Confident	118 Å²	118	47.8 Å²	47.8	45%	0.445	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-52.3	178.2	-178.5	-175.4	58.8	80.7	4.4	111.3	D28 N61 K65	D28-R63 VanDerWaalsContact CG-NE 3.28Å; D28-R63 WeakPolarHBondContact OD1-CD 3.21Å; D28-R63 IonicContact OD1-CZ 2.7Å; D28-R63 IonicContact OD1-NE 3.53Å; D28-R63 PolarHBondContact OD1-NE 2.52Å; D28-R63 IonicContact OD1-NH2 2.55Å; D28-R63 IonicContact OD2-CZ 2.78Å; D28-R63 IonicContact OD2-NE 3.59Å; D28-R63 PolarHBondContact OD2-NE 3.22Å; D28-R63 VanDerWaalsContact OD2-NE 3.09Å; D28-R63 IonicContact OD2-NH2 3.48Å; D28-R63 PolarHBondContact OD2-NH2 3.04Å; N61-R63 VanDerWaalsContact C-N 3.28Å; N61-R63 PolarHBondContact O-N 3.2Å; N61-R63 WeakPolarHBondContact OD1-CB 3.48Å; N61-R63 PolarHBondContact OD1-N 2.91Å; R63-K65 VanDerWaalsContact C-N 3.33Å
64	T	75.6	Confident	79.7	Confident	38 Å²	38	41.4 Å²	41.4	23%	0.233	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-13.9	-176.5	62.7	0	0	0	0	112.9	N61 Q66	N61-T64 WeakPolarHBondContact CB-OG1 3.27Å; N61-T64 PolarHBondContact OD1-N 3.46Å; T64-Q66 PolarHBondContact O-N 3.39Å
65	K	76.6	Confident	80.3	Confident	117 Å²	117	41.5 Å²	41.5	51%	0.509	19%	0.192	S	C	.	.			trans	58.7	24.3	-175.2	-60.1	-63.4	179.1	-165	0	113.4	Y60 N61 E62 R63	Y60-K65 HydrophobicContact CE1-CD 3.97Å; Y60-K65 VanDerWaalsContact CE2-C 3.45Å; Y60-K65 WeakPolarHBondContact CE2-O 3.46Å; Y60-K65 WeakPolarHBondContact OH-CA 3.41Å; Y60-K65 VanDerWaalsContact OH-CB 3.23Å; Y60-K65 WeakPolarHBondContact OH-CB 3.19Å; Y60-K65 WeakPolarHBondContact OH-CD 3.47Å; Y60-K65 PolarHBondContact OH-O 2.74Å; N61-K65 VanDerWaalsContact O-CA 3.23Å; N61-K65 WeakPolarHBondContact O-CA 3.36Å; N61-K65 PolarHBondContact O-N 3.03Å; E62-K65 WeakPolarHBondContact O-CD 3.26Å; E62-K65 WeakPolarHBondContact O-CE 3.34Å; E62-K65 PolarHBondContact O-NZ 3.01Å; E62-K65 IonicContact OE2-NZ 3.79Å; E62-K65 PolarHBondContact OE2-NZ 3.47Å; R63-K65 VanDerWaalsContact C-N 3.33Å
66	Q	75.8	Confident	80.6	Confident	95 Å²	95	44.8 Å²	44.8	44%	0.444	20%	0.203	S	C	.	.			trans	-104.8	152.6	179.2	-66.8	-178.3	5.6	0	0	111.4	L22 Y60 N61 T64	L22-Q66 HydrophobicContact CD2-CB 3.62Å; L22-Q66 WeakPolarHBondContact CD2-O 3.2Å; Y60-Q66 WeakPolarHBondContact CA-O 3.25Å; Y60-Q66 WeakPolarHBondContact CD2-O 3.01Å; N61-Q66 PolarHBondContact N-O 3.49Å; T64-Q66 PolarHBondContact O-N 3.39Å
67	R	79.6	Confident	80.8	Confident	99 Å²	99	43.6 Å²	43.6	37%	0.374	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	137	173.2	-171.5	-177.5	-179.5	-178.6	0.2	109.1	L58 G59 Y60 S87	L58-R67 HydrophobicContact CD1-CG 4.29Å; G59-R67 WeakPolarHBondContact O-CA 3.47Å; G59-R67 WeakPolarHBondContact O-CG 3.28Å; Y60-R67 HydrophobicContact CD2-CB 4.16Å; R67-S87 VanDerWaalsContact CZ-O 3.32Å; R67-S87 PolarHBondContact NH1-O 3.28Å; R67-S87 PolarHBondContact NH2-O 3.2Å
68	G	82.2	Confident	80.9	Confident	4 Å²	4	46.8 Å²	46.8	4%	0.041	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.1	-177.1	177	0	0	0	0	0	111.6	E20 L22 G59	E20-G68 CarbonylContact O-C 3.6Å; E20-G68 WeakPolarHBondContact O-CA 3.01Å; L22-G68 WeakPolarHBondContact CD1-O 3.4Å; G59-G68 PolarHBondContact N-O 2.79Å; G59-G68 VanDerWaalsContact N-O 3.12Å; G59-G68 PolarHBondContact O-N 3.03Å; G59-G68 VanDerWaalsContact O-N 3.1Å
69	D	81.3	Confident	80.6	Confident	49 Å²	49	45 Å²	45	26%	0.262	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	146	-175.9	-68.5	-40.5	0	0	0	111.7	E20 D21 L22 W56 L57 L58	E20-D69 PolarHBondContact O-N 3.42Å; D21-D69 WeakPolarHBondContact CA-O 3.24Å; L22-D69 PolarHBondContact N-O 3.17Å; W56-D69 HydrophobicContact CE3-CB 4.03Å; W56-D69 HydrophobicContact CZ3-CB 4.43Å; L57-D69 WeakPolarHBondContact O-CA 3.13Å; L58-D69 WeakPolarHBondContact CA-OD1 3.33Å; L58-D69 VanDerWaalsContact CB-OD1 3.28Å; L58-D69 WeakPolarHBondContact CB-OD1 3.42Å; L58-D69 VanDerWaalsContact CD1-OD1 3.26Å; L58-D69 WeakPolarHBondContact CD1-OD1 3.33Å
70	F	84.6	Confident	80.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	152.3	174.5	60	-91.1	0	0	0	112.3	L22 L24 L30 I32 W56 L57 V75	L22-F70 HydrophobicContact CD1-CD1 4.12Å; L24-F70 HydrophobicContact CD1-CB 3.67Å; L24-F70 HydrophobicContact CD1-CG 4.4Å; L24-F70 HydrophobicContact CD2-CB 4.25Å; L24-F70 HydrophobicContact CG-CB 4.37Å; L30-F70 HydrophobicContact CB-CE1 4.07Å; L30-F70 HydrophobicContact CB-CZ 3.83Å; L30-F70 HydrophobicContact CD1-CB 4.49Å; L30-F70 HydrophobicContact CD1-CD1 3.67Å; L30-F70 HydrophobicContact CD1-CD2 3.59Å; L30-F70 HydrophobicContact CD1-CE1 3.52Å; L30-F70 HydrophobicContact CD1-CE2 3.49Å; L30-F70 VanDerWaalsContact CD1-CE2 3.49Å; L30-F70 HydrophobicContact CD1-CG 3.66Å; L30-F70 HydrophobicContact CD1-CZ 3.41Å; L30-F70 VanDerWaalsContact CD1-CZ 3.41Å; L30-F70 HydrophobicContact CG-CE1 4.34Å; L30-F70 HydrophobicContact CG-CZ 4.27Å; I32-F70 HydrophobicContact CD1-CE1 4.25Å; I32-F70 HydrophobicContact CD1-CE2 4.13Å; I32-F70 HydrophobicContact CD1-CZ 3.41Å; I32-F70 VanDerWaalsContact CD1-CZ 3.41Å; I32-F70 HydrophobicContact CG1-CE1 4.33Å; I32-F70 HydrophobicContact CG1-CZ 3.84Å; W56-F70 VanDerWaalsContact CE3-C 3.47Å; L57-F70 HydrophobicContact CB-CD2 4.32Å; L57-F70 HydrophobicContact CB-CE1 4.45Å; L57-F70 HydrophobicContact CB-CE2 3.9Å; L57-F70 HydrophobicContact CB-CZ 4.02Å; L57-F70 HydrophobicContact CD1-CE2 4.1Å; L57-F70 PolarHBondContact N-O 2.88Å; L57-F70 VanDerWaalsContact O-CD1 3.24Å; L57-F70 WeakPolarHBondContact O-CD1 3.4Å; L57-F70 PolarHBondContact O-N 3.18Å; F70-V75 HydrophobicContact CD2-CG1 3.84Å; F70-V75 HydrophobicContact CD2-CG2 4.49Å; F70-V75 HydrophobicContact CE2-CG1 3.87Å; F70-V75 HydrophobicContact CE2-CG2 3.99Å
71	P	83.3	Confident	80.1	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	128.1	177.2	28.4	-32.1	0	0	0	111.5	F14 T73 F74	F14-P71 HydrophobicContact CD2-CG 4.12Å; F14-P71 HydrophobicContact CE2-CG 4.34Å; F14-P71 HydrophobicContact CG-CG 4.36Å; P71-T73 PolarHBondContact O-N 3.16Å; P71-F74 HydrophobicContact CB-CD2 3.98Å; P71-F74 HydrophobicContact CG-CB 4.09Å; P71-F74 HydrophobicContact CG-CD2 3.52Å; P71-F74 HydrophobicContact CG-CE2 4.12Å; P71-F74 HydrophobicContact CG-CG 3.83Å; P71-F74 PolarHBondContact O-N 3.39Å
72	G	79.3	Confident	79.5	Confident	0 Å²	0	56 Å²	56	0%	0	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-62.8	-22.6	176.9	0	0	0	0	0	114	P51 G55 F74 V75	P51-G72 CarbonylContact C-O 3.54Å; P51-G72 WeakPolarHBondContact CB-O 3.45Å; P51-G72 CarbonylContact O-C 3.5Å; P51-G72 VanDerWaalsContact O-CA 3.31Å; P51-G72 WeakPolarHBondContact O-CA 3.47Å; G55-G72 WeakPolarHBondContact O-CA 3.46Å; G55-G72 PolarHBondContact O-N 2.79Å; G72-F74 PolarHBondContact O-N 3.06Å; G72-V75 WeakPolarHBondContact O-CG2 3.48Å; G72-V75 PolarHBondContact O-N 3.44Å
73	T	81.2	Confident	78.6	Confident	35 Å²	35	54.5 Å²	54.5	22%	0.215	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-66.5	-13.9	173	49.5	0	0	0	0	113.6	E52 P71	E52-T73 HydrophobicContact CB-CG2 4.06Å; P71-T73 PolarHBondContact O-N 3.16Å
74	F	79.7	Confident	77.2	Confident	23 Å²	23	53 Å²	53	10%	0.101	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-97.9	-0	-177.3	-79	-121	0	0	0	113.5	L11 Y12 F14 P71 G72	L11-F74 PolarHBondContact N-O 3.41Å; Y12-F74 HydrophobicContact CG-CD1 4.47Å; Y12-F74 PolarHBondContact N-O 3.09Å; F14-F74 HydrophobicContact CB-CD1 3.9Å; F14-F74 HydrophobicContact CB-CE1 4.23Å; F14-F74 HydrophobicContact CD2-CE1 4.4Å; P71-F74 HydrophobicContact CB-CD2 3.98Å; P71-F74 HydrophobicContact CG-CB 4.09Å; P71-F74 HydrophobicContact CG-CD2 3.52Å; P71-F74 HydrophobicContact CG-CE2 4.12Å; P71-F74 HydrophobicContact CG-CG 3.83Å; P71-F74 PolarHBondContact O-N 3.39Å; G72-F74 PolarHBondContact O-N 3.06Å
75	V	80.9	Confident	75.6	Confident	6 Å²	6	58 Å²	58	4%	0.036	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	155.2	-171.1	-51.5	0	0	0	0	111.5	Y8 R9 V10 L30 P51 F70 G72	Y8-V75 HydrophobicContact CD1-CG2 3.91Å; Y8-V75 HydrophobicContact CG-CG2 4.13Å; R9-V75 CarbonylContact O-C 3.44Å; R9-V75 VanDerWaalsContact O-CA 3.26Å; R9-V75 WeakPolarHBondContact O-CA 3.31Å; V10-V75 HydrophobicContact CG2-CG1 4.12Å; L30-V75 HydrophobicContact CD1-CG1 3.84Å; P51-V75 HydrophobicContact CB-CG2 3.75Å; P51-V75 HydrophobicContact CG-CG2 4.06Å; P51-V75 WeakPolarHBondContact CG-O 3.48Å; F70-V75 HydrophobicContact CD2-CG1 3.84Å; F70-V75 HydrophobicContact CD2-CG2 4.49Å; F70-V75 HydrophobicContact CE2-CG1 3.87Å; F70-V75 HydrophobicContact CE2-CG2 3.99Å; G72-V75 WeakPolarHBondContact O-CG2 3.48Å; G72-V75 PolarHBondContact O-N 3.44Å
76	E	83.5	Confident	74	Confident	85 Å²	85	55.7 Å²	55.7	40%	0.397	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	141.7	175	-170.3	-177.4	-161.3	0	0	109.6	Y8 R9 L11 V78	Y8-E76 CarbonylContact C-O 3.56Å; Y8-E76 WeakPolarHBondContact CA-O 3.42Å; R9-E76 IonicContact CZ-OE2 2.7Å; R9-E76 PolarHBondContact N-O 3.01Å; R9-E76 IonicContact NE-OE2 3.77Å; R9-E76 IonicContact NH2-OE2 3.88Å; R9-E76 PolarHBondContact NH2-OE2 3.23Å; R9-E76 PolarHBondContact O-N 3.39Å; L11-E76 HydrophobicContact CD1-CB 3.94Å; L11-E76 HydrophobicContact CD2-CB 4.06Å; L11-E76 HydrophobicContact CG-CB 3.97Å; E76-V78 PolarHBondContact O-N 3.49Å
77	F	83.7	Confident	72	Confident	45 Å²	45	56 Å²	56	20%	0.197	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	128.4	174.3	179.8	-105.8	0	0	0	111.4	F6 Y8 E48 E49	F6-F77 HydrophobicContact CB-CE2 4.03Å; F6-F77 AromaticContact CD1-CE2 3.71Å; F6-F77 HydrophobicContact CD1-CE2 3.71Å; F6-F77 HydrophobicContact CD1-CZ 4.13Å; F6-F77 HydrophobicContact CG-CE2 4.21Å; Y8-F77 HydrophobicContact CD1-CB 4.16Å; Y8-F77 HydrophobicContact CD1-CD2 4.26Å; Y8-F77 HydrophobicContact CE1-CB 3.94Å; Y8-F77 AromaticContact CE1-CD2 3.64Å; Y8-F77 HydrophobicContact CE1-CD2 3.64Å; Y8-F77 HydrophobicContact CE1-CG 4.3Å; Y8-F77 AromaticContact CZ-CD2 3.83Å; E48-F77 HydrophobicContact CB-CE2 4.21Å; E48-F77 WeakPolarHBondContact O-CD2 3.37Å; E49-F77 HydrophobicContact CB-CD1 4.26Å; E49-F77 HydrophobicContact CG-CD1 3.89Å; E49-F77 HydrophobicContact CG-CE1 3.83Å; E49-F77 HydrophobicContact CG-CZ 4.42Å
78	V	82.2	Confident	69.8	Low	70 Å²	70	54.8 Å²	54.8	42%	0.424	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	-41.9	178.3	-178.9	0	0	0	0	111.1	Q7 R9 L29 E76	Q7-V78 HydrophobicContact CB-CB 4.41Å; Q7-V78 HydrophobicContact CG-CB 4.43Å; Q7-V78 WeakPolarHBondContact O-CB 3.42Å; Q7-V78 PolarHBondContact O-N 3.43Å; R9-V78 HydrophobicContact CB-CG2 3.5Å; L29-V78 HydrophobicContact CD2-CG2 4.3Å; E76-V78 PolarHBondContact O-N 3.49Å
79	G	77.8	Confident	67.5	Low	13 Å²	13	63.2 Å²	63.2	13%	0.134	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.7	171.6	179	0	0	0	0	0	114.9	Q7	Q7-G79 PolarHBondContact N-O 3.11Å; Q7-G79 PolarHBondContact O-N 2.9Å
80	P	78.5	Confident	65.3	Low	100 Å²	100	65.6 Å²	65.6	65%	0.649	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	139.5	176.9	30.8	-33.6	0	0	0	111.7	G5 F6	G5-P80 CarbonylContact O-C 3.48Å; G5-P80 WeakPolarHBondContact O-CA 3.45Å; F6-P80 HydrophobicContact CD1-CB 4.15Å; F6-P80 HydrophobicContact CE1-CB 4.19Å
81	I	76.4	Confident	62.8	Low	49 Å²	49	77.3 Å²	77.3	25%	0.251	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	154.4	178	66.4	163.9	0	0	0	111.4	G5 Q7 T31 M83	G5-I81 CarbonylContact C-O 3.48Å; G5-I81 WeakPolarHBondContact CA-O 3.28Å; G5-I81 PolarHBondContact N-O 3.4Å; G5-I81 PolarHBondContact O-N 2.97Å; G5-I81 VanDerWaalsContact O-O 3.05Å; Q7-I81 HydrophobicContact CB-CD1 4.24Å; Q7-I81 HydrophobicContact CB-CG1 4.39Å; Q7-I81 HydrophobicContact CB-CG2 3.91Å; T31-I81 HydrophobicContact CG2-CD1 3.31Å; T31-I81 HydrophobicContact CG2-CG1 4.21Å; I81-M83 HydrophobicContact CD1-CG 4.1Å; I81-M83 HydrophobicContact CG1-CG 4.06Å
82	K	69.4	Low	60.3	Low	164 Å²	164	82.9 Å²	82.9	71%	0.713	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	121.3	175.1	-77.2	-175.3	179.5	180	0	110.2	A2	A2-K82 HydrophobicContact CB-CB 4.13Å; A2-K82 HydrophobicContact CB-CD 4.14Å; A2-K82 HydrophobicContact CB-CG 4.3Å
83	M	60.6	Low	58.2	Low	34 Å²	34	90.4 Å²	90.4	17%	0.167	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	164.7	-175.1	-59.7	-179.3	65.1	0	0	113.1	T3 T31 I81	T3-M83 PolarHBondContact N-O 3.28Å; T3-M83 PolarHBondContact O-N 3.3Å; T3-M83 PolarHBondContact OG1-O 2.89Å; T3-M83 VanDerWaalsContact OG1-O 3.05Å; T31-M83 HydrophobicContact CG2-CE 3.22Å; T31-M83 HydrophobicContact CG2-CG 3.82Å; T31-M83 HydrophobicContact CG2-SD 3.23Å; T31-M83 WeakPolarHBondContact CG2-SD 3.47Å; I81-M83 HydrophobicContact CD1-CG 4.1Å; I81-M83 HydrophobicContact CG1-CG 4.06Å
84	A	48.6	Very low	56.6	Low	86 Å²	86	96 Å²	96	71%	0.711	51%	0.508	S	S	*	.			trans	-104.5	140.3	164.8	0	0	0	0	0	110.2	P86	A84-P86 WeakPolarHBondContact O-CD 3.34Å
85	H	43.2	Very low	54.6	Low	143 Å²	143	100.6 Å²	100.6	66%	0.662	54%	0.54	S	S	*	.			trans	-50	138.2	-168.8	-82.2	-81.9	0	0	0	115.9	T3	T3-H85 WeakPolarHBondContact CG2-CE1 3.27Å; T3-H85 WeakPolarHBondContact CG2-NE2 3.48Å
86	P	41.3	Very low	52.6	Low	70 Å²	70	104.7 Å²	104.7	46%	0.455	56%	0.561	S	S	.	*				-136.2	162.8	128.9	24.1	-3.6	0	0	0	114.6	A84	A84-P86 WeakPolarHBondContact O-CD 3.34Å
87	S	34.2	Very low	50.5	Low	100 Å²	100	103.5 Å²	103.5	70%	0.699	56%	0.561	S	S	*	*			trans	-68.7	153.7	-166.5	54.6	0	0	0	0	116	R67	R67-S87 VanDerWaalsContact CZ-O 3.32Å; R67-S87 PolarHBondContact NH1-O 3.28Å; R67-S87 PolarHBondContact NH2-O 3.2Å
88	S	34.9	Very low	48.2	Very low	75 Å²	75	106 Å²	106	52%	0.524	59%	0.59	S	S	.	*			trans	-106.8	134.9	178.7	54.8	0	0	0	0	112.4
89	Q	32	Very low	46	Very low	181 Å²	181	105.1 Å²	105.1	85%	0.846	59%	0.59	S	S	*	*			trans	-132.6	136.9	156.9	-88.1	-173.7	-15.2	0	0	108.3
90	P	36.1	Very low	44.1	Very low	98 Å²	98	109 Å²	109	64%	0.636	61%	0.612	S	S	*	*			trans	-103.3	143.2	179.9	35.3	-28.1	0	0	0	112.6
91	R	31.5	Very low	41.9	Very low	247 Å²	247	111.9 Å²	111.9	93%	0.932	62%	0.621	S	S	*	*			trans	-166.3	143.6	157.2	-108.6	165.4	-157.5	-162.7	5.4	116.2
92	S	31.8	Very low	39.8	Very low	117 Å²	117	114.9 Å²	114.9	82%	0.818	64%	0.643	S	S	*	*			trans	38.9	120.1	163.5	50.3	0	0	0	0	123.3
93	Q	35.4	Very low	37.8	Very low	158 Å²	158	115.2 Å²	115.2	74%	0.738	65%	0.648	S	S	*	*			trans	-76.5	146.2	174.6	-70.1	176.4	-21.7	0	0	114.3
94	R	46.1	Very low	36.4	Very low	153 Å²	153	119 Å²	119	58%	0.577	68%	0.675	S	S	*	*			trans	-132.2	151	174.5	-175.7	-176.8	-91.6	-177.2	-0.7	110.3	Q18	Q18-R94 VanDerWaalsContact NE2-NH2 3.11Å
95	P	38.3	Very low	35.6	Very low	118 Å²	118	120.4 Å²	120.4	77%	0.766	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-64.2	148	177.7	22.9	-34.8	0	0	0	114.5
96	L	39.3	Very low	35.1	Very low	92 Å²	92	120.9 Å²	120.9	48%	0.482	68%	0.681	S	S	.	*	P	Polyproline II helix	trans	-84.6	145.7	-170.9	-67.6	162.8	0	0	0	113.7
97	P	38.3	Very low	34.9	Very low	61 Å²	61	123.7 Å²	123.7	40%	0.396	70%	0.697	S	S	.	*	P	Polyproline II helix	trans	-78.5	144.6	162.9	10.4	2.8	0	0	0	112
98	A	35.3	Very low	35.3	Very low	98 Å²	98	125.4 Å²	125.4	81%	0.81	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-81.3	134.2	178.3	0	0	0	0	0	111.9
99	A	37.5	Very low	36.1	Very low	50 Å²	50	126 Å²	126	41%	0.413	71%	0.705	S	S	.	*	P	Polyproline II helix	trans	-77.2	140.4	178.2	0	0	0	0	0	112.1
100	P	37	Very low	37.4	Very low	94 Å²	94	118.4 Å²	118.4	61%	0.61	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-73.8	145.6	175.3	27.3	-30.6	0	0	0	112.9
101	I	31.6	Very low	38.9	Very low	162 Å²	162	116.6 Å²	116.6	83%	0.831	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-69.6	141.7	-176.7	-64.4	166.1	0	0	0	110.7
102	P	32.5	Very low	40.9	Very low	111 Å²	111	106.9 Å²	106.9	72%	0.721	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-85.3	131.1	-169.4	32.2	-32.6	0	0	0	113.8
103	E	27.7	Very low	43	Very low	172 Å²	172	101.3 Å²	101.3	80%	0.804	59%	0.587	S	S	*	*			trans	-109.9	152	158.8	-78	-158.6	170.1	0	0	110.6
104	P	31.8	Very low	44.8	Very low	113 Å²	113	96.3 Å²	96.3	73%	0.734	57%	0.57	S	S	*	*	S	Bend	trans	-82.4	136.2	-163.1	31.2	-33	0	0	0	114.8
105	S	31.6	Very low	46.1	Very low	115 Å²	115	96.1 Å²	96.1	80%	0.804	58%	0.575	S	S	*	*			trans	50.3	89.1	157.8	60.7	0	0	0	0	118.1
106	H	32.7	Very low	47.8	Very low	154 Å²	154	92.4 Å²	92.4	71%	0.713	55%	0.548	S	S	*	.			trans	-78.3	115.8	170.3	-73.9	-76.5	0	0	0	112.6
107	T	37.5	Very low	49.6	Very low	128 Å²	128	88.4 Å²	88.4	79%	0.785	53%	0.526	S	S	*	.			trans	-50.8	130.4	133.8	39.9	0	0	0	0	108.3	P109	T107-P109 WeakPolarHBondContact O-CD 3.39Å
108	V	42	Very low	51.2	Low	137 Å²	137	90 Å²	90	83%	0.83	54%	0.535	S	S	*	.			trans	-47.2	115.2	178.9	179.8	0	0	0	0	108.9	V110	V108-V110 PolarHBondContact O-N 2.87Å
109	P	51.4	Low	52.8	Low	86 Å²	86	89 Å²	89	56%	0.558	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-66.5	132.4	-178	-6.1	16.4	0	0	0	108.8	T107	T107-P109 WeakPolarHBondContact O-CD 3.39Å
110	V	59.7	Low	54	Low	23 Å²	23	92.8 Å²	92.8	14%	0.139	54%	0.541	C	S	.	.	P	Polyproline II helix	trans	-56.4	127.6	169	171.9	0	0	0	0	108.2	V108 Y156 D182 L183 P184	V108-V110 PolarHBondContact O-N 2.87Å; V110-Y156 HydrophobicContact CG1-CE1 4.18Å; V110-Y156 WeakPolarHBondContact CG1-OH 3.42Å; V110-Y156 HydrophobicContact CG2-CE2 3.62Å; V110-Y156 WeakPolarHBondContact CG2-OH 3.4Å; V110-D182 VanDerWaalsContact CB-O 3.27Å; V110-D182 WeakPolarHBondContact CB-O 3.42Å; V110-D182 HydrophobicContact CG2-CB 3.98Å; V110-D182 VanDerWaalsContact CG2-O 3.24Å; V110-D182 WeakPolarHBondContact CG2-O 3.22Å; V110-L183 HydrophobicContact CG1-CD2 4.25Å; V110-P184 WeakPolarHBondContact O-CG 3.47Å
111	P	67	Low	55.8	Low	59 Å²	59	92.4 Å²	92.4	38%	0.383	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-61.6	144.5	177.4	22.6	-30.9	0	0	0	110.4	Q115 Q116	P111-Q115 HydrophobicContact CB-CB 4.24Å; P111-Q116 HydrophobicContact CB-CG 4.43Å; P111-Q116 HydrophobicContact CG-CG 4.1Å; P111-Q116 PolarHBondContact O-NE2 3.06Å
112	D	73.9	Confident	57.8	Low	44 Å²	44	88.4 Å²	88.4	24%	0.235	51%	0.514	C	S	.	.	P	Polyproline II helix	trans	-62.3	155.2	178.8	179.9	48	0	0	0	111.8	S114 Q115 Q116 P184 H236	D112-S114 PolarHBondContact O-N 3.27Å; D112-S114 WeakPolarHBondContact OD2-CB 3.26Å; D112-S114 PolarHBondContact OD2-N 3.17Å; D112-S114 PolarHBondContact OD2-OG 3.19Å; D112-Q115 PolarHBondContact O-N 2.96Å; D112-Q116 PolarHBondContact O-N 2.81Å; D112-P184 HydrophobicContact CB-CG 4.15Å; D112-H236 IonicContact OD1-NE2 2.77Å
113	L	75.3	Confident	60.2	Low	0 Å²	0	83.2 Å²	83.2	0%	0	48%	0.481	C	S	.	.	H	α-helix	trans	-55.7	-30.3	-177.3	-76.3	173.4	0	0	0	112.8	Q115 Q116 P124 L183 H235 T239	L113-Q115 PolarHBondContact O-N 2.89Å; L113-Q116 PolarHBondContact O-N 2.95Å; L113-P124 HydrophobicContact CD2-CG 3.76Å; L113-L183 HydrophobicContact CD1-CD1 4.25Å; L113-L183 HydrophobicContact CD2-CD1 4.21Å; L113-L183 HydrophobicContact CD2-CD2 3.91Å; L113-L183 HydrophobicContact CG-CD1 4.3Å; L113-L183 HydrophobicContact CG-CD2 4.09Å; L113-H235 HydrophobicContact CB-CB 4.47Å; L113-T239 HydrophobicContact CD2-CG2 4.32Å
114	S	74.3	Confident	62.9	Low	53 Å²	53	75.1 Å²	75.1	37%	0.371	44%	0.443	S	S	.	.	H	α-helix	trans	-63.3	-23.4	175	60	0	0	0	0	114.3	D112	D112-S114 PolarHBondContact O-N 3.27Å; D112-S114 WeakPolarHBondContact OD2-CB 3.26Å; D112-S114 PolarHBondContact OD2-N 3.17Å; D112-S114 PolarHBondContact OD2-OG 3.19Å
115	Q	73.2	Confident	65.1	Low	149 Å²	149	73 Å²	73	70%	0.696	43%	0.429	S	S	*	.	H	α-helix	trans	-100.2	-7.1	-178.8	-62	-177.9	-12.7	0	0	113	P111 D112 L113	P111-Q115 HydrophobicContact CB-CB 4.24Å; D112-Q115 PolarHBondContact O-N 2.96Å; L113-Q115 PolarHBondContact O-N 2.89Å
116	Q	74.3	Confident	67.3	Low	39 Å²	39	69 Å²	69	18%	0.182	40%	0.403	C	S	.	.	H	α-helix	trans	-91.7	-21.4	-172	-70.4	-170.1	45	0	0	115	P111 D112 L113 P124 Y179	P111-Q116 HydrophobicContact CB-CG 4.43Å; P111-Q116 HydrophobicContact CG-CG 4.1Å; P111-Q116 PolarHBondContact O-NE2 3.06Å; D112-Q116 PolarHBondContact O-N 2.81Å; L113-Q116 PolarHBondContact O-N 2.95Å; Q116-P124 HydrophobicContact CB-CB 4.39Å; Q116-P124 HydrophobicContact CB-CG 4.41Å; Q116-Y179 PolarHBondContact OE1-OH 3.16Å
117	F	77.8	Confident	69.7	Low	8 Å²	8	61.6 Å²	61.6	4%	0.035	37%	0.369	C	S	.	.			trans	-160.7	156.8	-178.7	69.6	-76.9	0	0	0	112	E121 P124 H235 L238	F117-E121 HydrophobicContact CB-CB 4.34Å; F117-E121 WeakPolarHBondContact CB-OE2 3.15Å; F117-E121 HydrophobicContact CD2-CB 4.12Å; F117-P124 HydrophobicContact CD1-CB 4.38Å; F117-P124 HydrophobicContact CD1-CG 3.67Å; F117-P124 HydrophobicContact CE1-CG 3.79Å; F117-H235 HydrophobicContact CE1-CB 3.84Å; F117-H235 AromaticContact CE1-ND1 3.88Å; F117-H235 AromaticContact CE2-ND1 3.87Å; F117-H235 HydrophobicContact CZ-CB 3.77Å; F117-H235 AromaticContact CZ-ND1 3.77Å; F117-H235 WeakPolarHBondContact CZ-O 3.4Å; F117-H235 PolarHBondContact O-CE1 3.22Å; F117-H235 PolarHBondContact O-ND1 2.9Å; F117-H235 VanDerWaalsContact O-ND1 3.1Å; F117-L238 HydrophobicContact CE2-CB 4.28Å; F117-L238 HydrophobicContact CE2-CD1 4.01Å; F117-L238 HydrophobicContact CZ-CB 4.26Å
118	T	72.1	Confident	71.9	Confident	95 Å²	95	56.7 Å²	56.7	58%	0.583	34%	0.338	S	S	*	.			trans	-131.7	147.3	177.2	53.5	0	0	0	0	111.5	E121	T118-E121 WeakPolarHBondContact O-CB 3.49Å; T118-E121 PolarHBondContact O-N 2.98Å
119	P	67	Low	73.8	Confident	78 Å²	78	51.6 Å²	51.6	51%	0.506	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56	132.8	177.6	-27.1	38.3	0	0	0	111.2	F234	P119-F234 HydrophobicContact CG-CD1 4.44Å; P119-F234 HydrophobicContact CG-CE1 3.74Å
120	P	63.9	Low	75.2	Confident	129 Å²	129	47.8 Å²	47.8	84%	0.838	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	cis	-91.2	4.5	29.6	35.3	-37.3	0	0	0	116.7
121	E	73.8	Confident	76.4	Confident	86 Å²	86	46.7 Å²	46.7	40%	0.402	28%	0.277	S	S	.	.			trans	-67.8	136.3	-178.4	-62.4	170.1	167	0	0	111.8	F117 T118	F117-E121 HydrophobicContact CB-CB 4.34Å; F117-E121 WeakPolarHBondContact CB-OE2 3.15Å; F117-E121 HydrophobicContact CD2-CB 4.12Å; T118-E121 WeakPolarHBondContact O-CB 3.49Å; T118-E121 PolarHBondContact O-N 2.98Å
122	T	74.9	Confident	77.2	Confident	78 Å²	78	49 Å²	49	48%	0.479	28%	0.282	S	S	.	.	S	Bend	trans	-94.4	-12.2	-174	53	0	0	0	0	114.3	L238	T122-L238 CarbonylContact O-C 3.57Å; T122-L238 WeakPolarHBondContact O-CB 3.35Å
123	A	82.6	Confident	77.5	Confident	2 Å²	2	47.6 Å²	47.6	2%	0.017	28%	0.277	C	S	.	.	S	Bend	trans	-165.4	165.8	175.5	0	0	0	0	0	109.4	V128 Y242	A123-V128 HydrophobicContact CB-CG2 3.75Å; A123-Y242 HydrophobicContact CB-CD1 3.82Å; A123-Y242 HydrophobicContact CB-CD2 4.29Å; A123-Y242 HydrophobicContact CB-CE1 4.47Å; A123-Y242 HydrophobicContact CB-CG 3.72Å
124	P	83.8	Confident	77.9	Confident	1 Å²	1	47.6 Å²	47.6	1%	0.006	28%	0.277	C	S	.	.			trans	-53.7	128.9	176.4	-27.8	35.9	0	0	0	112.4	L113 Q116 F117 A126 L127 V128 Y179	L113-P124 HydrophobicContact CD2-CG 3.76Å; Q116-P124 HydrophobicContact CB-CB 4.39Å; Q116-P124 HydrophobicContact CB-CG 4.41Å; F117-P124 HydrophobicContact CD1-CB 4.38Å; F117-P124 HydrophobicContact CD1-CG 3.67Å; F117-P124 HydrophobicContact CE1-CG 3.79Å; P124-A126 VanDerWaalsContact C-N 3.28Å; P124-A126 PolarHBondContact O-N 3.44Å; P124-L127 HydrophobicContact CB-CB 4.22Å; P124-L127 WeakPolarHBondContact O-CA 3.49Å; P124-L127 WeakPolarHBondContact O-CB 3.23Å; P124-L127 PolarHBondContact O-N 3.39Å; P124-V128 WeakPolarHBondContact O-CG2 3.07Å; P124-V128 PolarHBondContact O-N 2.96Å; P124-Y179 WeakPolarHBondContact CB-OH 3.15Å; P124-Y179 WeakPolarHBondContact CG-OH 3.15Å
125	P	78.5	Confident	78.4	Confident	70 Å²	70	47 Å²	47	46%	0.455	27%	0.269	S	S	.	.	H	α-helix	trans	-55.3	-37.4	-174.3	-29.5	34.7	0	0	0	114.8	V128 S129	P125-V128 PolarHBondContact O-N 3.27Å; P125-S129 PolarHBondContact O-N 3.39Å
126	A	77.6	Confident	78.6	Confident	29 Å²	29	48 Å²	48	24%	0.24	27%	0.273	C	S	.	.	H	α-helix	trans	-61.9	-43.6	175.4	0	0	0	0	0	111.9	P124 L130	P124-A126 VanDerWaalsContact C-N 3.28Å; P124-A126 PolarHBondContact O-N 3.44Å; A126-L130 VanDerWaalsContact O-CG 3.3Å; A126-L130 WeakPolarHBondContact O-CG 3.32Å; A126-L130 PolarHBondContact O-N 3.07Å
127	L	83	Confident	78.7	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-67.7	-40	176.8	-177.7	64.3	0	0	0	111.5	P124 L130 I131 V176 Y179 T239 L243	P124-L127 HydrophobicContact CB-CB 4.22Å; P124-L127 WeakPolarHBondContact O-CA 3.49Å; P124-L127 WeakPolarHBondContact O-CB 3.23Å; P124-L127 PolarHBondContact O-N 3.39Å; L127-L130 PolarHBondContact O-N 3.38Å; L127-I131 HydrophobicContact CD1-CD1 3.75Å; L127-I131 HydrophobicContact CD1-CG1 4.22Å; L127-I131 HydrophobicContact CD2-CD1 4.38Å; L127-I131 HydrophobicContact CG-CD1 3.74Å; L127-I131 HydrophobicContact CG-CG1 4.48Å; L127-I131 WeakPolarHBondContact O-CB 3.26Å; L127-I131 VanDerWaalsContact O-CG1 3.32Å; L127-I131 WeakPolarHBondContact O-CG1 3.47Å; L127-I131 PolarHBondContact O-N 3.3Å; L127-V176 HydrophobicContact CD1-CG1 4.14Å; L127-Y179 HydrophobicContact CB-CD1 4.35Å; L127-Y179 HydrophobicContact CB-CE1 3.98Å; L127-Y179 HydrophobicContact CD1-CD1 3.87Å; L127-Y179 HydrophobicContact CD1-CE1 4.19Å; L127-Y179 HydrophobicContact CD2-CD1 4.44Å; L127-Y179 HydrophobicContact CD2-CE1 3.98Å; L127-Y179 HydrophobicContact CG-CD1 4.44Å; L127-Y179 HydrophobicContact CG-CE1 4.26Å; L127-T239 HydrophobicContact CD2-CG2 3.86Å; L127-L243 HydrophobicContact CD1-CD2 4.38Å; L127-L243 HydrophobicContact CD2-CD1 4.49Å; L127-L243 HydrophobicContact CD2-CD2 4.11Å; L127-L243 HydrophobicContact CD2-CG 4.28Å
128	V	84.2	Confident	78.3	Confident	25 Å²	25	52.8 Å²	52.8	15%	0.152	29%	0.289	C	S	.	.	H	α-helix	trans	-60.5	-47.7	176.7	171.1	0	0	0	0	111	A123 P124 P125 L130 I131 Q132 Y242	A123-V128 HydrophobicContact CB-CG2 3.75Å; P124-V128 WeakPolarHBondContact O-CG2 3.07Å; P124-V128 PolarHBondContact O-N 2.96Å; P125-V128 PolarHBondContact O-N 3.27Å; V128-L130 PolarHBondContact O-N 3.36Å; V128-I131 PolarHBondContact O-N 3.28Å; V128-Q132 HydrophobicContact CG1-CG 4.24Å; V128-Q132 WeakPolarHBondContact O-CB 3.45Å; V128-Q132 VanDerWaalsContact O-CG 3.26Å; V128-Q132 WeakPolarHBondContact O-CG 3.3Å; V128-Q132 PolarHBondContact O-N 3.11Å; V128-Y242 HydrophobicContact CG2-CE1 4.08Å; V128-Y242 HydrophobicContact CG2-CE2 4.42Å
129	S	80.9	Confident	78.4	Confident	30 Å²	30	50 Å²	50	21%	0.21	27%	0.271	C	S	.	.	H	α-helix	trans	-61.6	-45.4	-179.9	-172.6	0	0	0	0	111.9	P125 Q132 A133	P125-S129 PolarHBondContact O-N 3.39Å; S129-Q132 PolarHBondContact O-N 3.39Å; S129-A133 WeakPolarHBondContact O-CB 3.46Å; S129-A133 PolarHBondContact O-N 3.4Å
130	L	81.3	Confident	78.7	Confident	6 Å²	6	51.7 Å²	51.7	3%	0.031	28%	0.275	C	S	.	.	H	α-helix	trans	-61.5	-46.5	176.9	-69.1	171.5	0	0	0	112	A126 L127 V128 A133 I134 V155 L172 V176	A126-L130 VanDerWaalsContact O-CG 3.3Å; A126-L130 WeakPolarHBondContact O-CG 3.32Å; A126-L130 PolarHBondContact O-N 3.07Å; L127-L130 PolarHBondContact O-N 3.38Å; V128-L130 PolarHBondContact O-N 3.36Å; L130-A133 PolarHBondContact O-N 3.41Å; L130-I134 WeakPolarHBondContact O-CG1 3.27Å; L130-I134 PolarHBondContact O-N 2.69Å; L130-I134 VanDerWaalsContact O-N 3.08Å; L130-V155 HydrophobicContact CD1-CG1 4.25Å; L130-L172 HydrophobicContact CD2-CD2 3.85Å; L130-V176 HydrophobicContact CB-CG2 3.69Å; L130-V176 HydrophobicContact CD1-CG2 4.19Å
131	I	85.3	Confident	79.2	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-66.9	-42.9	-179.4	-74.1	174.7	0	0	0	111.4	L127 V128 A133 I134 E135 V176 Y242 L243 H246	L127-I131 HydrophobicContact CD1-CD1 3.75Å; L127-I131 HydrophobicContact CD1-CG1 4.22Å; L127-I131 HydrophobicContact CD2-CD1 4.38Å; L127-I131 HydrophobicContact CG-CD1 3.74Å; L127-I131 HydrophobicContact CG-CG1 4.48Å; L127-I131 WeakPolarHBondContact O-CB 3.26Å; L127-I131 VanDerWaalsContact O-CG1 3.32Å; L127-I131 WeakPolarHBondContact O-CG1 3.47Å; L127-I131 PolarHBondContact O-N 3.3Å; V128-I131 PolarHBondContact O-N 3.28Å; I131-A133 VanDerWaalsContact C-N 3.32Å; I131-A133 PolarHBondContact O-N 2.9Å; I131-I134 PolarHBondContact O-N 3.22Å; I131-E135 HydrophobicContact CG2-CG 4.35Å; I131-E135 WeakPolarHBondContact O-CG 3.05Å; I131-E135 PolarHBondContact O-N 3.42Å; I131-V176 HydrophobicContact CG1-CG2 4.42Å; I131-Y242 HydrophobicContact CB-CE1 4.05Å; I131-Y242 HydrophobicContact CD1-CD1 3.95Å; I131-Y242 HydrophobicContact CD1-CE1 3.74Å; I131-Y242 HydrophobicContact CG1-CE1 4.49Å; I131-Y242 HydrophobicContact CG2-CE1 3.83Å; I131-L243 HydrophobicContact CD1-CD2 3.7Å; I131-H246 HydrophobicContact CG2-CB 3.84Å
132	Q	83.8	Confident	79.2	Confident	106 Å²	106	50.2 Å²	50.2	50%	0.495	26%	0.259	S	S	.	.	H	α-helix	trans	-62.7	-39.5	176.7	-75	176.8	-13	0	0	111.9	V128 S129 I134 E135 H136	V128-Q132 HydrophobicContact CG1-CG 4.24Å; V128-Q132 WeakPolarHBondContact O-CB 3.45Å; V128-Q132 VanDerWaalsContact O-CG 3.26Å; V128-Q132 WeakPolarHBondContact O-CG 3.3Å; V128-Q132 PolarHBondContact O-N 3.11Å; S129-Q132 PolarHBondContact O-N 3.39Å; Q132-I134 VanDerWaalsContact C-N 3.33Å; Q132-I134 PolarHBondContact O-N 3.49Å; Q132-E135 PolarHBondContact O-N 3.49Å; Q132-H136 WeakPolarHBondContact O-CB 3.44Å; Q132-H136 PolarHBondContact O-N 2.96Å
133	A	80.7	Confident	79.1	Confident	15 Å²	15	51 Å²	51	12%	0.124	26%	0.259	C	S	.	.	H	α-helix	trans	-62.1	-40.9	174.5	0	0	0	0	0	111.9	S129 L130 I131 R137 A164 L172	S129-A133 WeakPolarHBondContact O-CB 3.46Å; S129-A133 PolarHBondContact O-N 3.4Å; L130-A133 PolarHBondContact O-N 3.41Å; I131-A133 VanDerWaalsContact C-N 3.32Å; I131-A133 PolarHBondContact O-N 2.9Å; A133-R137 PolarHBondContact O-N 3.38Å; A133-A164 HydrophobicContact CB-CB 4.43Å; A133-L172 HydrophobicContact CB-CD1 4.01Å; A133-L172 HydrophobicContact CB-CD2 4.34Å
134	I	83.1	Confident	78.8	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-65.9	-44.3	174.9	-68.1	170.4	0	0	0	111.2	L130 I131 Q132 H136 G138 L139 L144 Y145 M169 L172 V176	L130-I134 WeakPolarHBondContact O-CG1 3.27Å; L130-I134 PolarHBondContact O-N 2.69Å; L130-I134 VanDerWaalsContact O-N 3.08Å; I131-I134 PolarHBondContact O-N 3.22Å; Q132-I134 VanDerWaalsContact C-N 3.33Å; Q132-I134 PolarHBondContact O-N 3.49Å; I134-H136 VanDerWaalsContact C-N 3.32Å; I134-H136 PolarHBondContact O-N 2.87Å; I134-G138 WeakPolarHBondContact O-CA 3.17Å; I134-G138 PolarHBondContact O-N 2.74Å; I134-L139 PolarHBondContact O-N 3.01Å; I134-L144 HydrophobicContact CG2-CD1 3.55Å; I134-L144 HydrophobicContact CG2-CD2 4.45Å; I134-Y145 HydrophobicContact CD1-CE1 4.3Å; I134-Y145 WeakPolarHBondContact CD1-OH 3.38Å; I134-M169 HydrophobicContact CG1-CE 4.28Å; I134-M169 HydrophobicContact CG2-CE 4.4Å; I134-L172 HydrophobicContact CD1-CB 4.25Å; I134-L172 HydrophobicContact CG1-CB 3.9Å; I134-V176 HydrophobicContact CD1-CG2 3.8Å
135	E	84.5	Confident	78.4	Confident	42 Å²	42	51.3 Å²	51.3	20%	0.196	26%	0.26	C	S	.	.	H	α-helix	trans	-64.4	-35.9	-179.9	-73	-173.5	174.7	0	0	112.7	I131 Q132 L139 H246 K249	I131-E135 HydrophobicContact CG2-CG 4.35Å; I131-E135 WeakPolarHBondContact O-CG 3.05Å; I131-E135 PolarHBondContact O-N 3.42Å; Q132-E135 PolarHBondContact O-N 3.49Å; E135-L139 HydrophobicContact CB-CD1 4.41Å; E135-L139 HydrophobicContact CG-CD2 4.47Å; E135-L139 VanDerWaalsContact O-CD1 3.3Å; E135-L139 WeakPolarHBondContact O-CD1 3.3Å; E135-H246 VanDerWaalsContact CG-ND1 3.32Å; E135-H246 WeakPolarHBondContact CG-ND1 3.35Å; E135-H246 IonicContact OE1-CG 2.74Å; E135-H246 IonicContact OE1-ND1 3.74Å; E135-H246 PolarHBondContact OE1-ND1 2.97Å; E135-K249 HydrophobicContact CG-CD 4.45Å; E135-K249 WeakPolarHBondContact OE1-CD 3.47Å; E135-K249 IonicContact OE1-NZ 3.84Å; E135-K249 PolarHBondContact OE1-NZ 3.39Å; E135-K249 VanDerWaalsContact OE1-NZ 3.1Å; E135-K249 IonicContact OE2-NZ 2.85Å; E135-K249 PolarHBondContact OE2-NZ 3.41Å
136	H	78.7	Confident	78	Confident	170 Å²	170	53.6 Å²	53.6	79%	0.787	26%	0.259	S	S	*	.	H	α-helix	trans	-78.8	-28.9	-177.8	-169.1	-70.9	0	0	0	113.6	Q132 I134	Q132-H136 WeakPolarHBondContact O-CB 3.44Å; Q132-H136 PolarHBondContact O-N 2.96Å; I134-H136 VanDerWaalsContact C-N 3.32Å; I134-H136 PolarHBondContact O-N 2.87Å
137	R	74.6	Confident	77.1	Confident	146 Å²	146	55.2 Å²	55.2	55%	0.551	27%	0.266	S	S	*	.	H	α-helix	trans	-122.3	-17.7	-171.3	-62.8	-178.5	67.7	-152.9	-2.5	114.9	A133 A165 M169	A133-R137 PolarHBondContact O-N 3.38Å; R137-A165 PolarHBondContact NH1-O 3.42Å; R137-M169 HydrophobicContact CB-SD 4.16Å
138	G	69.7	Low	75.4	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123	-9.9	-154.9	0	0	0	0	0	117.6	I134 D140 S141	I134-G138 WeakPolarHBondContact O-CA 3.17Å; I134-G138 PolarHBondContact O-N 2.74Å; G138-D140 PolarHBondContact O-N 2.8Å; G138-S141 VanDerWaalsContact O-CB 3.31Å; G138-S141 WeakPolarHBondContact O-CB 3.44Å; G138-S141 PolarHBondContact O-N 3.04Å
139	L	74.8	Confident	73.7	Confident	38 Å²	38	60.1 Å²	60.1	20%	0.199	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-29.1	-172.2	-68.8	174	0	0	0	113.5	I134 E135 V250 A253 N257	I134-L139 PolarHBondContact O-N 3.01Å; E135-L139 HydrophobicContact CB-CD1 4.41Å; E135-L139 HydrophobicContact CG-CD2 4.47Å; E135-L139 VanDerWaalsContact O-CD1 3.3Å; E135-L139 WeakPolarHBondContact O-CD1 3.3Å; L139-V250 HydrophobicContact CD2-CG2 3.86Å; L139-A253 HydrophobicContact CB-CB 4.23Å; L139-N257 WeakPolarHBondContact O-CB 3.26Å; L139-N257 PolarHBondContact O-ND2 3.25Å; L139-N257 VanDerWaalsContact O-ND2 3.09Å
140	D	72.7	Confident	72	Confident	112 Å²	112	65.8 Å²	65.8	60%	0.599	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-0.5	178.1	-64.8	-52.9	0	0	0	114	G138 S256	G138-D140 PolarHBondContact O-N 2.8Å; D140-S256 WeakPolarHBondContact OD1-CB 3.33Å; D140-S256 PolarHBondContact OD1-OG 3.26Å
141	S	74.9	Confident	70.3	Confident	32 Å²	32	67.6 Å²	67.6	22%	0.224	35%	0.354	C	S	.	.			trans	-79.6	125.4	-176.5	-176.4	0	0	0	0	112	G138 I143 L144 N257	G138-S141 VanDerWaalsContact O-CB 3.31Å; G138-S141 WeakPolarHBondContact O-CB 3.44Å; G138-S141 PolarHBondContact O-N 3.04Å; S141-I143 PolarHBondContact O-N 3.02Å; S141-I143 PolarHBondContact OG-N 3.42Å; S141-L144 VanDerWaalsContact O-CB 3.29Å; S141-L144 WeakPolarHBondContact O-CB 3.37Å; S141-L144 PolarHBondContact O-N 3.07Å; S141-N257 WeakPolarHBondContact O-CB 3.38Å
142	K	73.3	Confident	68.3	Low	153 Å²	153	74.5 Å²	74.5	67%	0.665	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-13	175.4	-67.7	-176.1	179.3	-176.8	0	114.2	R146 S256	K142-R146 PolarHBondContact O-NH1 3.43Å; K142-S256 WeakPolarHBondContact CG-O 3.38Å
143	I	72.9	Confident	66.6	Low	94 Å²	94	72.9 Å²	72.9	48%	0.482	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-10.9	-175.8	-50.1	176	0	0	0	111	S141 Y145 R146 T147	S141-I143 PolarHBondContact O-N 3.02Å; S141-I143 PolarHBondContact OG-N 3.42Å; I143-Y145 PolarHBondContact O-N 3.28Å; I143-R146 PolarHBondContact O-N 3.32Å; I143-T147 HydrophobicContact CG2-CG2 3.48Å; I143-T147 VanDerWaalsContact CG2-CG2 3.48Å; I143-T147 WeakPolarHBondContact CG2-OG1 3.41Å
144	L	76.9	Confident	65.1	Low	1 Å²	1	75.1 Å²	75.1	1%	0.005	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	122	-177.3	-173.9	66.2	0	0	0	111.6	I134 S141 R146 M169 V250 L259	I134-L144 HydrophobicContact CG2-CD1 3.55Å; I134-L144 HydrophobicContact CG2-CD2 4.45Å; S141-L144 VanDerWaalsContact O-CB 3.29Å; S141-L144 WeakPolarHBondContact O-CB 3.37Å; S141-L144 PolarHBondContact O-N 3.07Å; L144-R146 PolarHBondContact O-N 3.43Å; L144-M169 HydrophobicContact CD1-CE 4.08Å; L144-V250 HydrophobicContact CD2-CG1 4.07Å; L144-V250 HydrophobicContact CD2-CG2 4.2Å; L144-L259 HydrophobicContact CB-CD1 4.38Å; L144-L259 HydrophobicContact CD2-CD1 4.23Å; L144-L259 HydrophobicContact CG-CD1 4.39Å
145	Y	75.5	Confident	63.6	Low	9 Å²	9	75.6 Å²	75.6	4%	0.035	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	14.3	-179.3	-55.8	-60.9	0	0	0	116.4	I134 I143 V176 L177 H246 V250 L259 F268	I134-Y145 HydrophobicContact CD1-CE1 4.3Å; I134-Y145 WeakPolarHBondContact CD1-OH 3.38Å; I143-Y145 PolarHBondContact O-N 3.28Å; Y145-V176 HydrophobicContact CE1-CB 4.28Å; Y145-V176 HydrophobicContact CE1-CG1 4.29Å; Y145-L177 HydrophobicContact CD1-CD1 4.27Å; Y145-L177 HydrophobicContact CD1-CD2 4.1Å; Y145-L177 HydrophobicContact CD1-CG 4.09Å; Y145-H246 AromaticContact CE2-NE2 3.79Å; Y145-H246 AromaticContact CZ-NE2 3.68Å; Y145-H246 PolarHBondContact OH-CD2 3.32Å; Y145-H246 PolarHBondContact OH-NE2 3.2Å; Y145-V250 HydrophobicContact CE2-CG2 4.46Å; Y145-L259 HydrophobicContact CD2-CD1 4.42Å; Y145-F268 HydrophobicContact CD1-CE2 4.44Å; Y145-F268 AromaticContact CD1-CZ 3.94Å; Y145-F268 HydrophobicContact CD1-CZ 3.94Å; Y145-F268 HydrophobicContact CD2-CE2 4.08Å; Y145-F268 HydrophobicContact CD2-CZ 4.13Å; Y145-F268 AromaticContact CE1-CZ 3.84Å; Y145-F268 HydrophobicContact CE1-CZ 3.84Å; Y145-F268 HydrophobicContact CE2-CE2 4.33Å; Y145-F268 HydrophobicContact CE2-CZ 4.04Å; Y145-F268 HydrophobicContact CG-CE2 4.17Å; Y145-F268 HydrophobicContact CG-CZ 4.1Å; Y145-F268 AromaticContact CZ-CZ 3.9Å
146	R	69.6	Low	62	Low	117 Å²	117	77.6 Å²	77.6	44%	0.442	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-17.9	-178.2	-70.1	-178.1	178.5	141.3	-1.3	115.5	K142 I143 L144 N257 G258	K142-R146 PolarHBondContact O-NH1 3.43Å; I143-R146 PolarHBondContact O-N 3.32Å; L144-R146 PolarHBondContact O-N 3.43Å; R146-N257 PolarHBondContact NH1-O 3.21Å; R146-G258 VanDerWaalsContact NH2-C 3.25Å; R146-G258 PolarHBondContact NH2-O 3.47Å
147	T	58.2	Low	60.4	Low	63 Å²	63	74.5 Å²	74.5	39%	0.387	41%	0.411	S	S	.	.			trans	-110.4	123.1	-176	40.9	0	0	0	0	112.4	I143 S149	I143-T147 HydrophobicContact CG2-CG2 3.48Å; I143-T147 VanDerWaalsContact CG2-CG2 3.48Å; I143-T147 WeakPolarHBondContact CG2-OG1 3.41Å; T147-S149 PolarHBondContact O-N 2.97Å
148	A	49.2	Very low	59.2	Low	86 Å²	86	69.1 Å²	69.1	71%	0.711	39%	0.394	S	S	*	.			trans	-74.3	112.7	167.9	0	0	0	0	0	109.8
149	S	48.2	Very low	57.9	Low	43 Å²	43	74 Å²	74	30%	0.301	43%	0.428	S	S	.	.			trans	-85.2	130.1	170.7	164.3	0	0	0	0	109.8	T147 S151	T147-S149 PolarHBondContact O-N 2.97Å; S149-S151 PolarHBondContact O-N 2.76Å; S149-S151 PolarHBondContact OG-OG 3.03Å; S149-S151 VanDerWaalsContact OG-OG 3.1Å
150	T	43.4	Very low	56.4	Low	148 Å²	148	76.3 Å²	76.3	91%	0.908	44%	0.444	S	S	*	.			trans	-84.4	22.7	-177.2	55.6	0	0	0	0	114.3
151	S	47.4	Very low	55	Low	45 Å²	45	79.5 Å²	79.5	32%	0.315	46%	0.455	S	S	.	.			trans	-86	117.9	-178.1	57.4	0	0	0	0	111.7	S149 S153 F171	S149-S151 PolarHBondContact O-N 2.76Å; S149-S151 PolarHBondContact OG-OG 3.03Å; S149-S151 VanDerWaalsContact OG-OG 3.1Å; S151-S153 PolarHBondContact O-N 3.46Å; S151-S153 VanDerWaalsContact O-N 3.15Å; S151-F171 WeakPolarHBondContact OG-CD2 3.3Å; S151-F171 WeakPolarHBondContact OG-CE2 3.32Å
152	D	42.8	Very low	53.5	Low	145 Å²	145	80.4 Å²	80.4	78%	0.775	47%	0.469	S	S	*	.			trans	-85	28	-174.3	-139	9.1	0	0	0	114.3	R178	D152-R178 IonicContact OD1-NH1 3.14Å; D152-R178 IonicContact OD1-NH2 2.85Å; D152-R178 PolarHBondContact OD1-NH2 2.7Å
153	S	46.8	Very low	52.4	Low	72 Å²	72	77.4 Å²	77.4	50%	0.503	46%	0.46	S	S	.	.			trans	-85.2	132	-178.7	-168.2	0	0	0	0	111	S151 V155	S151-S153 PolarHBondContact O-N 3.46Å; S151-S153 VanDerWaalsContact O-N 3.15Å; S153-V155 PolarHBondContact O-N 3Å
154	A	49.9	Very low	51.3	Low	61 Å²	61	73.3 Å²	73.3	50%	0.504	44%	0.44	S	S	.	.			trans	-61.7	128	176.8	0	0	0	0	0	111.1	Y156 T157	A154-Y156 PolarHBondContact O-N 3.19Å; A154-T157 PolarHBondContact O-OG1 3.32Å
155	V	51.6	Low	50.1	Low	10 Å²	10	76.2 Å²	76.2	6%	0.061	47%	0.465	C	S	.	.	G	3₁₀ helix	trans	-64.2	-23.2	-175.9	-179.5	0	0	0	0	112.5	L130 S153 T157 R178	L130-V155 HydrophobicContact CD1-CG1 4.25Å; S153-V155 PolarHBondContact O-N 3Å; V155-T157 VanDerWaalsContact C-N 3.26Å; V155-T157 PolarHBondContact O-N 3.35Å; V155-R178 HydrophobicContact CG2-CB 4.21Å; V155-R178 HydrophobicContact CG2-CG 4.11Å
156	Y	51	Low	49	Very low	84 Å²	84	84.3 Å²	84.3	33%	0.329	50%	0.503	S	S	.	.	G	3₁₀ helix	trans	-77.7	2.8	-173.3	-60.4	-77.5	0	0	0	115.4	V110 A154 Y179	V110-Y156 HydrophobicContact CG1-CE1 4.18Å; V110-Y156 WeakPolarHBondContact CG1-OH 3.42Å; V110-Y156 HydrophobicContact CG2-CE2 3.62Å; V110-Y156 WeakPolarHBondContact CG2-OH 3.4Å; A154-Y156 PolarHBondContact O-N 3.19Å; Y156-Y179 HydrophobicContact CE1-CD2 4.2Å; Y156-Y179 HydrophobicContact CE1-CE2 4.06Å
157	T	44.6	Very low	48.7	Very low	105 Å²	105	79.9 Å²	79.9	64%	0.644	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-92.6	-9.3	178.9	-29.8	0	0	0	0	113.3	A154 V155 S159	A154-T157 PolarHBondContact O-OG1 3.32Å; V155-T157 VanDerWaalsContact C-N 3.26Å; V155-T157 PolarHBondContact O-N 3.35Å; T157-S159 VanDerWaalsContact C-N 3.33Å; T157-S159 PolarHBondContact O-N 3.2Å; T157-S159 VanDerWaalsContact O-N 3.13Å
158	L	49.7	Very low	49.4	Very low	34 Å²	34	82.7 Å²	82.7	18%	0.178	50%	0.503	C	S	.	.			trans	-89	62.4	-178.8	-70.9	161.2	0	0	0	111.7	D163 F171	L158-D163 HydrophobicContact CD2-CB 3.57Å; L158-F171 HydrophobicContact CD1-CE1 3.97Å; L158-F171 HydrophobicContact CD1-CZ 4.38Å
159	S	41.9	Very low	50.4	Low	102 Å²	102	80 Å²	80	71%	0.713	48%	0.475	S	S	*	.			trans	-97.6	12	179	-56.5	0	0	0	0	113.7	T157	T157-S159 VanDerWaalsContact C-N 3.33Å; T157-S159 PolarHBondContact O-N 3.2Å; T157-S159 VanDerWaalsContact O-N 3.13Å
160	T	43.7	Very low	51.5	Low	87 Å²	87	78.3 Å²	78.3	53%	0.534	47%	0.466	S	S	.	.	S	Bend	trans	-126.5	131.1	178.1	53.5	0	0	0	0	111.1	G162 D163	T160-G162 PolarHBondContact O-N 3.38Å; T160-D163 PolarHBondContact O-N 3.25Å
161	E	44.1	Very low	53.1	Low	179 Å²	179	73.6 Å²	73.6	84%	0.836	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-15.4	-179.1	-66.1	-177.5	151.1	0	0	114
162	G	43.8	Very low	54.4	Low	51 Å²	51	71.4 Å²	71.4	53%	0.526	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-34.2	-178.3	0	0	0	0	0	116	T160	T160-G162 PolarHBondContact O-N 3.38Å
163	D	48.5	Very low	56.2	Low	89 Å²	89	64.6 Å²	64.6	48%	0.476	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-25.3	-172.4	-84.3	-18.3	0	0	0	113.5	L158 T160 A165 S167	L158-D163 HydrophobicContact CD2-CB 3.57Å; T160-D163 PolarHBondContact O-N 3.25Å; D163-A165 PolarHBondContact O-N 2.8Å; D163-S167 PolarHBondContact O-OG 3.48Å
164	A	51.4	Low	57.8	Low	8 Å²	8	62.5 Å²	62.5	7%	0.066	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-23.9	175.6	0	0	0	0	0	112.7	A133 Q166	A133-A164 HydrophobicContact CB-CB 4.43Å; A164-Q166 PolarHBondContact O-N 3.48Å
165	A	50	Low	59.2	Low	63 Å²	63	59.9 Å²	59.9	52%	0.521	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-24	-177.9	0	0	0	0	0	113.9	R137 D163	R137-A165 PolarHBondContact NH1-O 3.42Å; D163-A165 PolarHBondContact O-N 2.8Å
166	Q	54.3	Low	60.7	Low	179 Å²	179	59.5 Å²	59.5	84%	0.836	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-5.8	-178.5	-78.4	-179.5	5.2	0	0	114.4	A164	A164-Q166 PolarHBondContact O-N 3.48Å
167	S	62.2	Low	62.2	Low	24 Å²	24	56.1 Å²	56.1	17%	0.168	33%	0.327	C	S	.	.	S	Bend	trans	-77.6	146.4	-174.3	-67.6	0	0	0	0	113.1	D163	D163-S167 PolarHBondContact O-OG 3.48Å
168	D	72.1	Confident	63.9	Low	122 Å²	122	54.5 Å²	54.5	65%	0.652	31%	0.309	S	S	*	.			trans	-69.9	147.6	176.9	-171.2	13.9	0	0	0	111.2	G170 F171 L172	D168-G170 VanDerWaalsContact C-N 3.27Å; D168-G170 PolarHBondContact O-N 3.2Å; D168-F171 HydrophobicContact CB-CB 4.48Å; D168-F171 WeakPolarHBondContact O-CB 3.26Å; D168-F171 PolarHBondContact O-N 3.19Å; D168-L172 PolarHBondContact O-N 3.4Å
169	M	71.2	Confident	65.4	Low	28 Å²	28	53 Å²	53	14%	0.138	30%	0.3	C	S	.	.	H	α-helix	trans	-59.5	-37	-177.3	-76.5	-57.2	-41.8	0	0	112.6	I134 R137 L144 F171 L172 S173	I134-M169 HydrophobicContact CG1-CE 4.28Å; I134-M169 HydrophobicContact CG2-CE 4.4Å; R137-M169 HydrophobicContact CB-SD 4.16Å; L144-M169 HydrophobicContact CD1-CE 4.08Å; M169-F171 VanDerWaalsContact C-N 3.34Å; M169-L172 PolarHBondContact O-N 3.1Å; M169-L172 HydrophobicContact SD-CD1 4.24Å; M169-S173 PolarHBondContact O-N 3.49Å; M169-S173 PolarHBondContact O-OG 3.24Å
170	G	71.6	Confident	67.3	Low	9 Å²	9	48.1 Å²	48.1	9%	0.093	27%	0.267	C	S	.	.	H	α-helix	trans	-64.4	-38.2	175.3	0	0	0	0	0	112.6	D168 S173 E174	D168-G170 VanDerWaalsContact C-N 3.27Å; D168-G170 PolarHBondContact O-N 3.2Å; G170-S173 PolarHBondContact O-OG 3.28Å; G170-E174 WeakPolarHBondContact O-CB 3.34Å; G170-E174 PolarHBondContact O-N 3.08Å
171	F	76.1	Confident	69.1	Low	48 Å²	48	50.4 Å²	50.4	21%	0.211	27%	0.265	C	S	.	.	H	α-helix	trans	-69.2	-41.6	177.2	178.3	-93	0	0	0	112.1	S151 L158 D168 M169 E174 S175	S151-F171 WeakPolarHBondContact OG-CD2 3.3Å; S151-F171 WeakPolarHBondContact OG-CE2 3.32Å; L158-F171 HydrophobicContact CD1-CE1 3.97Å; L158-F171 HydrophobicContact CD1-CZ 4.38Å; D168-F171 HydrophobicContact CB-CB 4.48Å; D168-F171 WeakPolarHBondContact O-CB 3.26Å; D168-F171 PolarHBondContact O-N 3.19Å; M169-F171 VanDerWaalsContact C-N 3.34Å; F171-E174 PolarHBondContact O-N 2.92Å; F171-S175 VanDerWaalsContact O-CB 3.23Å; F171-S175 WeakPolarHBondContact O-CB 3.3Å; F171-S175 PolarHBondContact O-N 3.44Å; F171-S175 PolarHBondContact O-OG 2.75Å
172	L	75.7	Confident	70.8	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.8	-45.2	174.7	-69	174.5	0	0	0	111.3	L130 A133 I134 D168 M169 S175 V176	L130-L172 HydrophobicContact CD2-CD2 3.85Å; A133-L172 HydrophobicContact CB-CD1 4.01Å; A133-L172 HydrophobicContact CB-CD2 4.34Å; I134-L172 HydrophobicContact CD1-CB 4.25Å; I134-L172 HydrophobicContact CG1-CB 3.9Å; D168-L172 PolarHBondContact O-N 3.4Å; M169-L172 PolarHBondContact O-N 3.1Å; M169-L172 HydrophobicContact SD-CD1 4.24Å; L172-S175 PolarHBondContact O-N 2.99Å; L172-V176 PolarHBondContact O-N 3.26Å
173	S	79.7	Confident	72.4	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.007	22%	0.218	C	C	.	.	H	α-helix	trans	-64.6	-42.7	177.8	58.4	0	0	0	0	112.8	M169 G170 S175 V176 L177	M169-S173 PolarHBondContact O-N 3.49Å; M169-S173 PolarHBondContact O-OG 3.24Å; G170-S173 PolarHBondContact O-OG 3.28Å; S173-S175 VanDerWaalsContact C-N 3.32Å; S173-S175 PolarHBondContact O-N 3.03Å; S173-V176 PolarHBondContact O-N 3.3Å; S173-L177 WeakPolarHBondContact O-CG 3.36Å; S173-L177 PolarHBondContact O-N 3.26Å
174	E	81.6	Confident	73.6	Confident	28 Å²	28	42.1 Å²	42.1	13%	0.131	22%	0.219	C	C	.	.	H	α-helix	trans	-68.4	-34	178.7	-173	60.9	-152	0	0	111.5	G170 F171 V176 L177 R178	G170-E174 WeakPolarHBondContact O-CB 3.34Å; G170-E174 PolarHBondContact O-N 3.08Å; F171-E174 PolarHBondContact O-N 2.92Å; E174-V176 PolarHBondContact O-N 2.95Å; E174-L177 PolarHBondContact O-N 3.27Å; E174-R178 WeakPolarHBondContact O-CB 3.49Å; E174-R178 PolarHBondContact O-N 3.26Å
175	S	78.3	Confident	74.8	Confident	7 Å²	7	43.4 Å²	43.4	5%	0.049	23%	0.228	C	C	.	.	H	α-helix	trans	-65.7	-37.9	178	-65.4	0	0	0	0	112.2	F171 L172 S173 Y179	F171-S175 VanDerWaalsContact O-CB 3.23Å; F171-S175 WeakPolarHBondContact O-CB 3.3Å; F171-S175 PolarHBondContact O-N 3.44Å; F171-S175 PolarHBondContact O-OG 2.75Å; L172-S175 PolarHBondContact O-N 2.99Å; S173-S175 VanDerWaalsContact C-N 3.32Å; S173-S175 PolarHBondContact O-N 3.03Å; S175-Y179 WeakPolarHBondContact O-CB 3.32Å; S175-Y179 PolarHBondContact O-N 3.36Å
176	V	82.5	Confident	76.3	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.006	21%	0.208	C	C	.	.	H	α-helix	trans	-66.3	-45.4	172.3	174	0	0	0	0	111.1	L127 L130 I131 I134 Y145 L172 S173 E174 Y179 L180	L127-V176 HydrophobicContact CD1-CG1 4.14Å; L130-V176 HydrophobicContact CB-CG2 3.69Å; L130-V176 HydrophobicContact CD1-CG2 4.19Å; I131-V176 HydrophobicContact CG1-CG2 4.42Å; I134-V176 HydrophobicContact CD1-CG2 3.8Å; Y145-V176 HydrophobicContact CE1-CB 4.28Å; Y145-V176 HydrophobicContact CE1-CG1 4.29Å; L172-V176 PolarHBondContact O-N 3.26Å; S173-V176 PolarHBondContact O-N 3.3Å; E174-V176 PolarHBondContact O-N 2.95Å; V176-Y179 PolarHBondContact O-N 3.04Å; V176-L180 HydrophobicContact CG1-CD1 4.43Å; V176-L180 WeakPolarHBondContact O-CG 3.4Å; V176-L180 PolarHBondContact O-N 3.13Å; V176-L180 VanDerWaalsContact O-N 3.1Å
177	L	83.6	Confident	77.6	Confident	14 Å²	14	32.9 Å²	32.9	7%	0.073	17%	0.169	C	C	.	.	H	α-helix	trans	-65.2	-41	179.6	-62.4	173.3	0	0	0	111.8	Y145 S173 E174 L180 R181 I267 F268 L271	Y145-L177 HydrophobicContact CD1-CD1 4.27Å; Y145-L177 HydrophobicContact CD1-CD2 4.1Å; Y145-L177 HydrophobicContact CD1-CG 4.09Å; S173-L177 WeakPolarHBondContact O-CG 3.36Å; S173-L177 PolarHBondContact O-N 3.26Å; E174-L177 PolarHBondContact O-N 3.27Å; L177-L180 PolarHBondContact O-N 3.3Å; L177-R181 WeakPolarHBondContact O-CB 3.34Å; L177-R181 PolarHBondContact O-N 2.92Å; L177-I267 HydrophobicContact CD2-CG2 3.75Å; L177-F268 HydrophobicContact CD2-CE1 4.02Å; L177-F268 HydrophobicContact CD2-CZ 4Å; L177-L271 HydrophobicContact CB-CD1 4.25Å; L177-L271 HydrophobicContact CD2-CD1 3.4Å; L177-L271 VanDerWaalsContact CD2-CD1 3.4Å; L177-L271 HydrophobicContact CG-CD1 4.4Å
178	R	79.9	Confident	78.6	Confident	71 Å²	71	31.8 Å²	31.8	27%	0.268	16%	0.161	S	C	.	.	H	α-helix	trans	-67.5	-42.4	177.1	-171.8	166.8	-172.7	159.9	0.2	111.4	D152 V155 E174 L180 R181 D182	D152-R178 IonicContact OD1-NH1 3.14Å; D152-R178 IonicContact OD1-NH2 2.85Å; D152-R178 PolarHBondContact OD1-NH2 2.7Å; V155-R178 HydrophobicContact CG2-CB 4.21Å; V155-R178 HydrophobicContact CG2-CG 4.11Å; E174-R178 WeakPolarHBondContact O-CB 3.49Å; E174-R178 PolarHBondContact O-N 3.26Å; R178-L180 VanDerWaalsContact C-N 3.33Å; R178-L180 PolarHBondContact O-N 2.97Å; R178-R181 PolarHBondContact O-N 3.1Å; R178-R181 VanDerWaalsContact O-N 3.16Å; R178-D182 WeakPolarHBondContact CG-OD2 3.21Å; R178-D182 IonicContact NE-OD2 2.76Å; R178-D182 WeakPolarHBondContact O-CB 3.27Å; R178-D182 PolarHBondContact O-N 3.05Å
179	Y	81.8	Confident	79.1	Confident	1 Å²	1	26.6 Å²	26.6	0%	0.004	13%	0.134	C	C	.	.	H	α-helix	trans	-55.9	-47.2	173.4	176.8	-89.9	0	0	0	111.8	Q116 P124 L127 Y156 S175 V176 R181 D182 L183	Q116-Y179 PolarHBondContact OE1-OH 3.16Å; P124-Y179 WeakPolarHBondContact CB-OH 3.15Å; P124-Y179 WeakPolarHBondContact CG-OH 3.15Å; L127-Y179 HydrophobicContact CB-CD1 4.35Å; L127-Y179 HydrophobicContact CB-CE1 3.98Å; L127-Y179 HydrophobicContact CD1-CD1 3.87Å; L127-Y179 HydrophobicContact CD1-CE1 4.19Å; L127-Y179 HydrophobicContact CD2-CD1 4.44Å; L127-Y179 HydrophobicContact CD2-CE1 3.98Å; L127-Y179 HydrophobicContact CG-CD1 4.44Å; L127-Y179 HydrophobicContact CG-CE1 4.26Å; Y156-Y179 HydrophobicContact CE1-CD2 4.2Å; Y156-Y179 HydrophobicContact CE1-CE2 4.06Å; S175-Y179 WeakPolarHBondContact O-CB 3.32Å; S175-Y179 PolarHBondContact O-N 3.36Å; V176-Y179 PolarHBondContact O-N 3.04Å; Y179-R181 VanDerWaalsContact C-N 3.34Å; Y179-R181 PolarHBondContact O-N 3.06Å; Y179-D182 PolarHBondContact O-N 2.85Å; Y179-L183 HydrophobicContact CE1-CD1 4.4Å; Y179-L183 HydrophobicContact CE1-CD2 4.35Å; Y179-L183 WeakPolarHBondContact O-CG 3.32Å
180	L	81.9	Confident	79.4	Confident	1 Å²	1	28.1 Å²	28.1	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-68.3	-32.2	178.5	-65.1	175.9	0	0	0	112.9	V176 L177 R178 L183 V187 L243 F268 L271	V176-L180 HydrophobicContact CG1-CD1 4.43Å; V176-L180 WeakPolarHBondContact O-CG 3.4Å; V176-L180 PolarHBondContact O-N 3.13Å; V176-L180 VanDerWaalsContact O-N 3.1Å; L177-L180 PolarHBondContact O-N 3.3Å; R178-L180 VanDerWaalsContact C-N 3.33Å; R178-L180 PolarHBondContact O-N 2.97Å; L180-L183 HydrophobicContact CD2-CD1 4.25Å; L180-V187 HydrophobicContact CD2-CG2 4.03Å; L180-L243 HydrophobicContact CD1-CD1 4.38Å; L180-L243 HydrophobicContact CD1-CD2 4.34Å; L180-L243 HydrophobicContact CD2-CD1 3.75Å; L180-F268 HydrophobicContact CD1-CD1 4.03Å; L180-F268 HydrophobicContact CD1-CE1 3.99Å; L180-L271 HydrophobicContact CB-CB 4.29Å
181	R	81.8	Confident	79.5	Confident	134 Å²	134	30.9 Å²	30.9	51%	0.506	17%	0.169	S	C	.	.	H	α-helix	trans	-71.4	-38.5	177.4	-171.5	-175	-60.9	151.9	7.3	112.5	L177 R178 Y179 L183 L271	L177-R181 WeakPolarHBondContact O-CB 3.34Å; L177-R181 PolarHBondContact O-N 2.92Å; R178-R181 PolarHBondContact O-N 3.1Å; R178-R181 VanDerWaalsContact O-N 3.16Å; Y179-R181 VanDerWaalsContact C-N 3.34Å; Y179-R181 PolarHBondContact O-N 3.06Å; R181-L183 VanDerWaalsContact C-N 3.27Å; R181-L183 PolarHBondContact O-N 3.24Å; R181-L271 HydrophobicContact CB-CD2 4.06Å
182	D	78.1	Confident	79.7	Confident	63 Å²	63	28.6 Å²	28.6	34%	0.337	16%	0.159	S	C	.	.	S	Bend	trans	-82.9	-2.2	-174.1	-64	-11.8	0	0	0	112.4	V110 R178 Y179	V110-D182 VanDerWaalsContact CB-O 3.27Å; V110-D182 WeakPolarHBondContact CB-O 3.42Å; V110-D182 HydrophobicContact CG2-CB 3.98Å; V110-D182 VanDerWaalsContact CG2-O 3.24Å; V110-D182 WeakPolarHBondContact CG2-O 3.22Å; R178-D182 WeakPolarHBondContact CG-OD2 3.21Å; R178-D182 IonicContact NE-OD2 2.76Å; R178-D182 WeakPolarHBondContact O-CB 3.27Å; R178-D182 PolarHBondContact O-N 3.05Å; Y179-D182 PolarHBondContact O-N 2.85Å
183	L	77.7	Confident	80.1	Confident	6 Å²	6	29.9 Å²	29.9	3%	0.031	16%	0.164	C	C	.	.			trans	-64.6	134	175.1	-73.9	173.8	0	0	0	111.5	V110 L113 Y179 L180 R181 S185 V187	V110-L183 HydrophobicContact CG1-CD2 4.25Å; L113-L183 HydrophobicContact CD1-CD1 4.25Å; L113-L183 HydrophobicContact CD2-CD1 4.21Å; L113-L183 HydrophobicContact CD2-CD2 3.91Å; L113-L183 HydrophobicContact CG-CD1 4.3Å; L113-L183 HydrophobicContact CG-CD2 4.09Å; Y179-L183 HydrophobicContact CE1-CD1 4.4Å; Y179-L183 HydrophobicContact CE1-CD2 4.35Å; Y179-L183 WeakPolarHBondContact O-CG 3.32Å; L180-L183 HydrophobicContact CD2-CD1 4.25Å; R181-L183 VanDerWaalsContact C-N 3.27Å; R181-L183 PolarHBondContact O-N 3.24Å; L183-S185 PolarHBondContact O-N 3.16Å; L183-V187 HydrophobicContact CD1-CG2 3.86Å
184	P	74.3	Confident	80.1	Confident	76 Å²	76	33.6 Å²	33.6	49%	0.494	19%	0.188	S	C	.	.	S	Bend	trans	-69.6	-21.7	-178.3	30.3	-37.7	0	0	0	113.3	V110 D112	V110-P184 WeakPolarHBondContact O-CG 3.47Å; D112-P184 HydrophobicContact CB-CG 4.15Å
185	S	76.6	Confident	79.9	Confident	36 Å²	36	36.9 Å²	36.9	25%	0.252	20%	0.203	S	C	.	.	S	Bend	trans	-131.2	134.9	177.1	-179	0	0	0	0	108.7	L183	L183-S185 PolarHBondContact O-N 3.16Å
186	P	81.3	Confident	80	Confident	18 Å²	18	36.5 Å²	36.5	12%	0.117	20%	0.201	C	C	.	.			trans	-60.5	148.7	177.9	25.8	-34	0	0	0	110.9	I188 H236 Q274	P186-I188 WeakPolarHBondContact CG-O 3.39Å; P186-I188 PolarHBondContact O-N 2.96Å; P186-H236 PolarHBondContact O-ND1 3.02Å; P186-Q274 HydrophobicContact CB-CB 4.38Å; P186-Q274 HydrophobicContact CB-CG 4.2Å
187	V	81.3	Confident	79.9	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.012	22%	0.223	C	C	.	.	S	Bend	trans	-57	-36.8	178.8	-180	0	0	0	0	110.6	L180 L183 P189 H236 L240 L243 L272	L180-V187 HydrophobicContact CD2-CG2 4.03Å; L183-V187 HydrophobicContact CD1-CG2 3.86Å; V187-P189 WeakPolarHBondContact O-CD 3.4Å; V187-H236 WeakPolarHBondContact O-CB 3.49Å; V187-H236 PolarHBondContact O-ND1 3.49Å; V187-L240 HydrophobicContact CG1-CB 3.89Å; V187-L240 HydrophobicContact CG1-CD1 4.12Å; V187-L243 HydrophobicContact CG1-CD1 4.46Å; V187-L243 HydrophobicContact CG2-CD1 4.44Å; V187-L272 HydrophobicContact CB-CD2 3.73Å; V187-L272 HydrophobicContact CG1-CD2 4.04Å; V187-L272 HydrophobicContact CG2-CD2 3.83Å
188	I	83.3	Confident	79.7	Confident	1 Å²	1	44.5 Å²	44.5	1%	0.005	24%	0.243	C	C	.	.	S	Bend	trans	-99.3	111.4	168.4	-58.3	179.3	0	0	0	108.5	P186 Y193 L196 L226 L240 L272 I273 L296	P186-I188 WeakPolarHBondContact CG-O 3.39Å; P186-I188 PolarHBondContact O-N 2.96Å; I188-Y193 HydrophobicContact CG2-CD1 4.38Å; I188-Y193 HydrophobicContact CG2-CE1 4.04Å; I188-Y193 WeakPolarHBondContact O-CE1 3.11Å; I188-Y193 PolarHBondContact O-OH 3.15Å; I188-L196 HydrophobicContact CG2-CD1 3.75Å; I188-L226 HydrophobicContact CG2-CD2 4.21Å; I188-L240 HydrophobicContact CD1-CD1 4.2Å; I188-L240 HydrophobicContact CD1-CD2 4.22Å; I188-L240 HydrophobicContact CG1-CD1 4.14Å; I188-L240 HydrophobicContact CG1-CD2 3.99Å; I188-L272 WeakPolarHBondContact CB-O 3.37Å; I188-L272 HydrophobicContact CD1-CB 4.46Å; I188-L272 PolarHBondContact N-O 2.79Å; I188-I273 HydrophobicContact CB-CG1 4.02Å; I188-I273 HydrophobicContact CD1-CD1 4.06Å; I188-I273 HydrophobicContact CD1-CG1 3.89Å; I188-I273 HydrophobicContact CG1-CG1 4.41Å; I188-I273 HydrophobicContact CG2-CG1 4.37Å; I188-L296 HydrophobicContact CD1-CD1 4.5Å
189	P	81.9	Confident	79.7	Confident	13 Å²	13	41.4 Å²	41.4	8%	0.084	23%	0.233	C	C	.	.			trans	-64.7	144.4	-179.1	-24.1	35.1	0	0	0	113.6	V187 C191 V192 V232	V187-P189 WeakPolarHBondContact O-CD 3.4Å; P189-C191 PolarHBondContact O-N 3.35Å; P189-C191 VanDerWaalsContact O-N 3.08Å; P189-V192 PolarHBondContact O-N 3.35Å; P189-V192 VanDerWaalsContact O-N 3.14Å; P189-V232 HydrophobicContact CG-CG1 4.35Å
190	A	77.4	Confident	79.7	Confident	60 Å²	60	41.7 Å²	41.7	50%	0.496	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-59.5	-23.5	-178.5	0	0	0	0	0	114.6	V192 Y193	A190-V192 PolarHBondContact O-N 2.96Å; A190-V192 VanDerWaalsContact O-N 3.15Å; A190-Y193 HydrophobicContact CB-CD2 4.05Å; A190-Y193 HydrophobicContact CB-CE2 3.77Å; A190-Y193 PolarHBondContact O-N 3.22Å
191	C	75.5	Confident	79.4	Confident	67 Å²	67	46.8 Å²	46.8	45%	0.453	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-62.7	-19.2	178	59.9	0	0	0	0	113.8	P189 V231	P189-C191 PolarHBondContact O-N 3.35Å; P189-C191 VanDerWaalsContact O-N 3.08Å; C191-V231 HydrophobicContact CB-CG1 3.99Å; C191-V231 WeakPolarHBondContact SG-CG1 3.3Å
192	V	80.6	Confident	79	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-100.3	-9.3	-178.3	-159.4	0	0	0	0	112.3	P189 A190 P194 Q195 L196 V225 L226 V232	P189-V192 PolarHBondContact O-N 3.35Å; P189-V192 VanDerWaalsContact O-N 3.14Å; A190-V192 PolarHBondContact O-N 2.96Å; A190-V192 VanDerWaalsContact O-N 3.15Å; V192-P194 VanDerWaalsContact C-CD 3.49Å; V192-Q195 HydrophobicContact CG1-CB 4.41Å; V192-Q195 PolarHBondContact O-N 2.71Å; V192-Q195 VanDerWaalsContact O-N 3.13Å; V192-L196 HydrophobicContact CB-CD1 4.31Å; V192-L196 HydrophobicContact CG1-CD1 4.2Å; V192-L196 HydrophobicContact CG1-CG 4.09Å; V192-L196 WeakPolarHBondContact O-CG 3.31Å; V192-L196 PolarHBondContact O-N 3.31Å; V192-V225 HydrophobicContact CG1-CG1 3.68Å; V192-L226 HydrophobicContact CG1-CD2 4.37Å; V192-V232 HydrophobicContact CG2-CG2 3.46Å; V192-V232 VanDerWaalsContact CG2-CG2 3.46Å
193	Y	82.9	Confident	78.7	Confident	28 Å²	28	41.9 Å²	41.9	11%	0.11	24%	0.241	C	C	.	.	H	α-helix	trans	-56.1	-42.9	-177.6	-63	-5.9	0	0	0	113.6	I188 A190 Q195 L196 Q197 I273 Q274 F288	I188-Y193 HydrophobicContact CG2-CD1 4.38Å; I188-Y193 HydrophobicContact CG2-CE1 4.04Å; I188-Y193 WeakPolarHBondContact O-CE1 3.11Å; I188-Y193 PolarHBondContact O-OH 3.15Å; A190-Y193 HydrophobicContact CB-CD2 4.05Å; A190-Y193 HydrophobicContact CB-CE2 3.77Å; A190-Y193 PolarHBondContact O-N 3.22Å; Y193-Q195 VanDerWaalsContact C-N 3.31Å; Y193-Q195 PolarHBondContact O-N 3.07Å; Y193-L196 PolarHBondContact O-N 3.46Å; Y193-Q197 VanDerWaalsContact O-CB 3.28Å; Y193-Q197 WeakPolarHBondContact O-CB 3.46Å; Y193-Q197 PolarHBondContact O-N 3.25Å; Y193-I273 HydrophobicContact CD1-CG2 4.33Å; Y193-I273 HydrophobicContact CE1-CB 4.37Å; Y193-I273 HydrophobicContact CE1-CG1 4.25Å; Y193-I273 HydrophobicContact CE1-CG2 3.72Å; Y193-I273 HydrophobicContact CE2-CG2 4.01Å; Y193-Q274 WeakPolarHBondContact CE2-O 3.32Å; Y193-Q274 PolarHBondContact OH-N 2.81Å; Y193-Q274 PolarHBondContact OH-O 2.85Å; Y193-F288 HydrophobicContact CG-CE1 4.39Å
194	P	78.8	Confident	78.4	Confident	78 Å²	78	43.2 Å²	43.2	51%	0.506	25%	0.247	S	C	.	.	H	α-helix	trans	-64.5	-35.3	179.1	-21.9	34.4	0	0	0	113.2	V192 T198	V192-P194 VanDerWaalsContact C-CD 3.49Å; P194-T198 PolarHBondContact O-N 3.32Å; P194-T198 VanDerWaalsContact O-N 3.09Å; P194-T198 PolarHBondContact O-OG1 3.28Å
195	Q	78.9	Confident	78.1	Confident	97 Å²	97	43.8 Å²	43.8	45%	0.453	25%	0.246	S	C	.	.	H	α-helix	trans	-72.2	-41.7	178.3	-64	174.1	-1.7	0	0	110.6	V192 Y193 T198 A199 V225	V192-Q195 HydrophobicContact CG1-CB 4.41Å; V192-Q195 PolarHBondContact O-N 2.71Å; V192-Q195 VanDerWaalsContact O-N 3.13Å; Y193-Q195 VanDerWaalsContact C-N 3.31Å; Y193-Q195 PolarHBondContact O-N 3.07Å; Q195-T198 PolarHBondContact O-N 2.93Å; Q195-A199 PolarHBondContact O-N 3.45Å; Q195-V225 HydrophobicContact CB-CG1 3.75Å
196	L	80.5	Confident	77.4	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.9	-42.1	173.8	-73.3	167.5	0	0	0	111.9	I188 V192 Y193 T198 A199 V200 V222 V225 L226 F288	I188-L196 HydrophobicContact CG2-CD1 3.75Å; V192-L196 HydrophobicContact CB-CD1 4.31Å; V192-L196 HydrophobicContact CG1-CD1 4.2Å; V192-L196 HydrophobicContact CG1-CG 4.09Å; V192-L196 WeakPolarHBondContact O-CG 3.31Å; V192-L196 PolarHBondContact O-N 3.31Å; Y193-L196 PolarHBondContact O-N 3.46Å; L196-T198 VanDerWaalsContact C-N 3.31Å; L196-T198 PolarHBondContact O-N 2.77Å; L196-A199 PolarHBondContact O-N 2.99Å; L196-V200 WeakPolarHBondContact O-CB 3.47Å; L196-V200 WeakPolarHBondContact O-CG2 3.47Å; L196-V200 PolarHBondContact O-N 2.83Å; L196-V222 HydrophobicContact CD2-CG1 3.76Å; L196-V225 HydrophobicContact CD2-CB 4.33Å; L196-V225 HydrophobicContact CD2-CG1 4.02Å; L196-V225 HydrophobicContact CG-CG1 4.15Å; L196-L226 HydrophobicContact CD1-CD2 4.19Å; L196-L226 HydrophobicContact CD2-CD1 4.36Å; L196-L226 HydrophobicContact CD2-CD2 4.24Å; L196-L226 HydrophobicContact CD2-CG 4.04Å; L196-F288 HydrophobicContact CB-CE2 4.35Å; L196-F288 HydrophobicContact CB-CZ 4Å
197	Q	80.1	Confident	76.4	Confident	101 Å²	101	51.3 Å²	51.3	47%	0.472	28%	0.275	S	S	.	.	H	α-helix	trans	-62	-41.2	177.3	-170.7	177.6	9.1	0	0	111.4	Y193 M201 F288	Y193-Q197 VanDerWaalsContact O-CB 3.28Å; Y193-Q197 WeakPolarHBondContact O-CB 3.46Å; Y193-Q197 PolarHBondContact O-N 3.25Å; Q197-M201 VanDerWaalsContact O-CB 3.26Å; Q197-M201 WeakPolarHBondContact O-CB 3.47Å; Q197-M201 PolarHBondContact O-N 2.95Å; Q197-F288 HydrophobicContact CB-CD2 4.4Å; Q197-F288 HydrophobicContact CB-CE2 3.81Å; Q197-F288 HydrophobicContact CB-CZ 4.29Å; Q197-F288 HydrophobicContact CG-CD2 4.43Å; Q197-F288 HydrophobicContact CG-CE2 4.33Å
198	T	79.6	Confident	75.2	Confident	81 Å²	81	58.8 Å²	58.8	50%	0.497	31%	0.31	S	S	.	.	H	α-helix	trans	-64.1	-45.7	175.7	-54.1	0	0	0	0	111.3	P194 Q195 L196 M201 Q202	P194-T198 PolarHBondContact O-N 3.32Å; P194-T198 VanDerWaalsContact O-N 3.09Å; P194-T198 PolarHBondContact O-OG1 3.28Å; Q195-T198 PolarHBondContact O-N 2.93Å; L196-T198 VanDerWaalsContact C-N 3.31Å; L196-T198 PolarHBondContact O-N 2.77Å; T198-M201 PolarHBondContact O-N 3.36Å; T198-Q202 VanDerWaalsContact O-CB 3.3Å; T198-Q202 WeakPolarHBondContact O-CB 3.46Å; T198-Q202 PolarHBondContact O-N 2.89Å
199	A	79.9	Confident	73.5	Confident	7 Å²	7	67 Å²	67	6%	0.058	35%	0.346	C	S	.	.	H	α-helix	trans	-64.1	-44.2	179.2	0	0	0	0	0	112.6	Q195 L196 Q202 Q203 E221 V222 V225	Q195-A199 PolarHBondContact O-N 3.45Å; L196-A199 PolarHBondContact O-N 2.99Å; A199-Q202 PolarHBondContact O-N 2.81Å; A199-Q203 PolarHBondContact O-N 3.47Å; A199-E221 HydrophobicContact CB-CB 4.41Å; A199-V222 HydrophobicContact CB-CG2 4.37Å; A199-V225 HydrophobicContact CB-CG2 4.07Å
200	V	80.6	Confident	71.8	Confident	6 Å²	6	71.9 Å²	71.9	4%	0.036	37%	0.371	C	S	.	.	H	α-helix	trans	-64.2	-42.7	176.3	171.5	0	0	0	0	111	L196 Q203 L204 V222 L291 V292	L196-V200 WeakPolarHBondContact O-CB 3.47Å; L196-V200 WeakPolarHBondContact O-CG2 3.47Å; L196-V200 PolarHBondContact O-N 2.83Å; V200-Q203 PolarHBondContact O-N 3.31Å; V200-L204 HydrophobicContact CG1-CD1 3.75Å; V200-L204 HydrophobicContact CG1-CG 4.41Å; V200-L204 WeakPolarHBondContact O-CB 3.34Å; V200-L204 VanDerWaalsContact O-CG 3.27Å; V200-L204 WeakPolarHBondContact O-CG 3.34Å; V200-L204 PolarHBondContact O-N 2.92Å; V200-V222 HydrophobicContact CG2-CG2 3.84Å; V200-L291 HydrophobicContact CG1-CB 4.31Å; V200-V292 HydrophobicContact CG2-CG2 3.91Å
201	M	76.6	Confident	70	Confident	108 Å²	108	77.7 Å²	77.7	53%	0.532	39%	0.393	S	S	.	.	H	α-helix	trans	-65.1	-40.4	177.6	-171.7	177.2	72.1	0	0	111.9	Q197 T198 L204 L205	Q197-M201 VanDerWaalsContact O-CB 3.26Å; Q197-M201 WeakPolarHBondContact O-CB 3.47Å; Q197-M201 PolarHBondContact O-N 2.95Å; T198-M201 PolarHBondContact O-N 3.36Å; M201-L204 PolarHBondContact O-N 2.97Å; M201-L205 HydrophobicContact CG-CD1 4.31Å; M201-L205 WeakPolarHBondContact O-CB 3.21Å; M201-L205 WeakPolarHBondContact O-CG 3.49Å; M201-L205 PolarHBondContact O-N 2.81Å
202	Q	73.8	Confident	68.7	Low	84 Å²	84	77.8 Å²	77.8	39%	0.393	41%	0.406	S	S	.	.	H	α-helix	trans	-62.3	-46.2	176.2	-176.9	171.4	-14.2	0	0	111.3	T198 A199 L205 H206	T198-Q202 VanDerWaalsContact O-CB 3.3Å; T198-Q202 WeakPolarHBondContact O-CB 3.46Å; T198-Q202 PolarHBondContact O-N 2.89Å; A199-Q202 PolarHBondContact O-N 2.81Å; Q202-L205 PolarHBondContact O-N 3.4Å; Q202-H206 PolarHBondContact O-N 2.73Å; Q202-H206 VanDerWaalsContact O-N 3.07Å; Q202-H206 PolarHBondContact O-ND1 3.13Å
203	Q	72.1	Confident	66.5	Low	11 Å²	11	81.5 Å²	81.5	5%	0.051	44%	0.436	C	S	.	.	H	α-helix	trans	-63.8	-40.2	176	-80.1	-177.1	-18.1	0	0	112.8	A199 V200 H206 Q207 H218 E221 E299	A199-Q203 PolarHBondContact O-N 3.47Å; V200-Q203 PolarHBondContact O-N 3.31Å; Q203-H206 PolarHBondContact O-N 2.81Å; Q203-Q207 PolarHBondContact O-N 3.38Å; Q203-H218 PolarHBondContact NE2-O 2.81Å; Q203-E221 HydrophobicContact CG-CB 4.38Å; Q203-E299 PolarHBondContact NE2-OE1 3.06Å
204	L	71	Confident	64.3	Low	33 Å²	33	87 Å²	87	17%	0.173	47%	0.472	C	S	.	.	H	α-helix	trans	-67.1	-37.8	178.2	-73.3	168.7	0	0	0	112.6	V200 M201 Q207 Q208 W284 L291	V200-L204 HydrophobicContact CG1-CD1 3.75Å; V200-L204 HydrophobicContact CG1-CG 4.41Å; V200-L204 WeakPolarHBondContact O-CB 3.34Å; V200-L204 VanDerWaalsContact O-CG 3.27Å; V200-L204 WeakPolarHBondContact O-CG 3.34Å; V200-L204 PolarHBondContact O-N 2.92Å; M201-L204 PolarHBondContact O-N 2.97Å; L204-Q207 PolarHBondContact O-N 3.36Å; L204-Q208 PolarHBondContact O-N 3.04Å; L204-W284 HydrophobicContact CD1-CH2 3.86Å; L204-W284 HydrophobicContact CD1-CZ3 3.5Å; L204-L291 HydrophobicContact CD1-CD1 4.42Å
205	L	67.1	Low	62.5	Low	88 Å²	88	88.1 Å²	88.1	46%	0.461	49%	0.489	S	S	.	.	H	α-helix	trans	-65.3	-39.2	173.1	-77.9	170.1	0	0	0	112	M201 Q202 Q208 F209	M201-L205 HydrophobicContact CG-CD1 4.31Å; M201-L205 WeakPolarHBondContact O-CB 3.21Å; M201-L205 WeakPolarHBondContact O-CG 3.49Å; M201-L205 PolarHBondContact O-N 2.81Å; Q202-L205 PolarHBondContact O-N 3.4Å; L205-Q208 PolarHBondContact O-N 2.89Å; L205-F209 PolarHBondContact O-N 2.88Å
206	H	62.8	Low	60.8	Low	95 Å²	95	87 Å²	87	44%	0.44	50%	0.503	S	S	.	.	H	α-helix	trans	-66.5	-37.6	176.8	-79.1	83.9	0	0	0	112.3	Q202 Q203 Q208 F209 L210	Q202-H206 PolarHBondContact O-N 2.73Å; Q202-H206 VanDerWaalsContact O-N 3.07Å; Q202-H206 PolarHBondContact O-ND1 3.13Å; Q203-H206 PolarHBondContact O-N 2.81Å; H206-Q208 PolarHBondContact O-N 2.82Å; H206-F209 PolarHBondContact O-N 3.23Å; H206-L210 PolarHBondContact O-N 2.99Å
207	Q	59.8	Low	59.1	Low	118 Å²	118	91.3 Å²	91.3	55%	0.551	53%	0.533	S	S	*	.	H	α-helix	trans	-64.1	-23.7	175	-79.4	-167.1	-25.8	0	0	113.7	Q203 L204	Q203-Q207 PolarHBondContact O-N 3.38Å; L204-Q207 PolarHBondContact O-N 3.36Å
208	Q	56.7	Low	57.4	Low	159 Å²	159	92.3 Å²	92.3	74%	0.743	54%	0.537	S	S	*	.	H	α-helix	trans	-86	-20	177.5	-75.4	-178.2	-13.1	0	0	114.2	L204 L205 H206	L204-Q208 PolarHBondContact O-N 3.04Å; L205-Q208 PolarHBondContact O-N 2.89Å; H206-Q208 PolarHBondContact O-N 2.82Å
209	F	48	Very low	56.4	Low	174 Å²	174	92.7 Å²	92.7	76%	0.763	54%	0.536	S	S	*	.	H	α-helix	trans	-107.2	-11.3	-170.9	-95.4	-86.9	0	0	0	115.5	L205 H206	L205-F209 PolarHBondContact O-N 2.88Å; H206-F209 PolarHBondContact O-N 3.23Å
210	L	45.4	Very low	55.9	Low	115 Å²	115	96.3 Å²	96.3	60%	0.602	55%	0.549	S	S	*	.			trans	-135	90.7	-178.5	-78.2	160.6	0	0	0	111.7	H206 G212	H206-L210 PolarHBondContact O-N 2.99Å; L210-G212 VanDerWaalsContact C-N 3.29Å; L210-G212 PolarHBondContact O-N 3.4Å
211	D	40.1	Very low	55.3	Low	181 Å²	181	97.5 Å²	97.5	97%	0.968	55%	0.554	S	S	*	*	S	Bend	trans	-71.6	89.4	158.4	-115.1	-14.1	0	0	0	108.1
212	G	46.9	Very low	55.3	Low	69 Å²	69	92.3 Å²	92.3	71%	0.711	53%	0.528	S	S	*	.	S	Bend	trans	83.5	95.6	166.8	0	0	0	0	0	116.3	L210	L210-G212 VanDerWaalsContact C-N 3.29Å; L210-G212 PolarHBondContact O-N 3.4Å
213	A	34.3	Very low	55.4	Low	78 Å²	78	89 Å²	89	65%	0.645	51%	0.514	S	S	*	.	S	Bend	trans	-177.7	125.7	137.6	0	0	0	0	0	111.3
214	V	37.4	Very low	55.5	Low	143 Å²	143	91.7 Å²	91.7	87%	0.867	53%	0.529	S	S	*	.			trans	70.6	77.5	165.8	-158.3	0	0	0	0	116.7	G216	V214-G216 PolarHBondContact O-N 3.09Å
215	A	41	Very low	55.8	Low	102 Å²	102	91.7 Å²	91.7	84%	0.843	53%	0.53	S	S	*	.			trans	-73.1	114.2	161.2	0	0	0	0	0	109.6
216	G	43.1	Very low	56.2	Low	73 Å²	73	88.1 Å²	88.1	75%	0.753	51%	0.511	S	S	*	.	S	Bend	trans	179.2	-10.8	175.4	0	0	0	0	0	118.5	V214	V214-G216 PolarHBondContact O-N 3.09Å
217	S	43.8	Very low	56.7	Low	91 Å²	91	88.4 Å²	88.4	64%	0.636	51%	0.513	S	S	*	.	S	Bend	trans	-143.4	-19.3	-179.1	-173.8	0	0	0	0	116.5
218	H	45.9	Very low	57.1	Low	122 Å²	122	88.4 Å²	88.4	57%	0.565	52%	0.517	S	S	*	.	S	Bend	trans	-106	1.1	-173.5	-69	-73.7	0	0	0	114.2	Q203 R220 E221	Q203-H218 PolarHBondContact NE2-O 2.81Å; H218-R220 VanDerWaalsContact C-N 3.27Å; H218-R220 PolarHBondContact O-N 2.98Å; H218-E221 IonicContact CG-OE1 2.63Å; H218-E221 IonicContact ND1-OE1 3.6Å; H218-E221 PolarHBondContact ND1-OE1 3.44Å
219	D	57.1	Low	57.7	Low	89 Å²	89	81.4 Å²	81.4	48%	0.476	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	19.5	-177.6	-116.6	21.1	0	0	0	112.8	E299	D219-E299 VanDerWaalsContact O-CD 3.3Å; D219-E299 WeakPolarHBondContact O-CG 3.23Å
220	R	69.4	Low	58.3	Low	84 Å²	84	79.8 Å²	79.8	32%	0.317	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.7	13.1	177.7	-71.7	-162.2	70.9	-159	1.4	114	H218 V222 S223 L224 E227 E299	H218-R220 VanDerWaalsContact C-N 3.27Å; H218-R220 PolarHBondContact O-N 2.98Å; R220-V222 PolarHBondContact O-N 3.45Å; R220-S223 PolarHBondContact O-N 3.08Å; R220-L224 HydrophobicContact CB-CD1 4.26Å; R220-L224 HydrophobicContact CB-CG 4.31Å; R220-L224 WeakPolarHBondContact O-CB 3.22Å; R220-L224 WeakPolarHBondContact O-CG 3.43Å; R220-L224 PolarHBondContact O-N 3.38Å; R220-E227 IonicContact NH2-OE1 3.37Å; R220-E227 PolarHBondContact NH2-OE1 3.24Å; R220-E227 IonicContact NH2-OE2 3.1Å; R220-E227 PolarHBondContact NH2-OE2 3.35Å; R220-E299 VanDerWaalsContact C-OE1 3.27Å; R220-E299 VanDerWaalsContact CA-CD 3.43Å; R220-E299 VanDerWaalsContact CA-OE1 3.26Å; R220-E299 WeakPolarHBondContact CA-OE1 3.11Å
221	E	68.4	Low	59.5	Low	30 Å²	30	78.3 Å²	78.3	14%	0.14	49%	0.485	C	S	.	.	H	α-helix	trans	-60.6	-35.1	-172.8	-69.9	179.6	177.2	0	0	111.7	A199 Q203 H218 V225 E299	A199-E221 HydrophobicContact CB-CB 4.41Å; Q203-E221 HydrophobicContact CG-CB 4.38Å; H218-E221 IonicContact CG-OE1 2.63Å; H218-E221 IonicContact ND1-OE1 3.6Å; H218-E221 PolarHBondContact ND1-OE1 3.44Å; E221-V225 WeakPolarHBondContact O-CG2 3.2Å; E221-V225 PolarHBondContact O-N 3.38Å; E221-E299 PolarHBondContact N-OE1 3.32Å
222	V	76.1	Confident	61.2	Low	0 Å²	0	70.2 Å²	70.2	0%	0	44%	0.442	C	S	.	.	H	α-helix	trans	-73.3	-44.4	179.5	-172.9	0	0	0	0	111.2	L196 A199 V200 R220 L224 V225 V292 R295 L296 E299	L196-V222 HydrophobicContact CD2-CG1 3.76Å; A199-V222 HydrophobicContact CB-CG2 4.37Å; V200-V222 HydrophobicContact CG2-CG2 3.84Å; R220-V222 PolarHBondContact O-N 3.45Å; V222-L224 VanDerWaalsContact C-N 3.35Å; V222-L224 PolarHBondContact O-N 3.25Å; V222-V225 PolarHBondContact O-N 3.37Å; V222-V292 HydrophobicContact CG1-CG1 4.22Å; V222-R295 HydrophobicContact CG2-CB 4.2Å; V222-L296 HydrophobicContact CB-CD2 4.35Å; V222-L296 HydrophobicContact CG1-CD2 3.83Å; V222-L296 HydrophobicContact CG1-CG 3.99Å; V222-E299 PolarHBondContact N-OE1 2.86Å
223	S	76.4	Confident	62.8	Low	14 Å²	14	69.7 Å²	69.7	10%	0.098	43%	0.427	C	S	.	.	H	α-helix	trans	-62.3	-40.1	173.8	-64.3	0	0	0	0	112.4	R220 V225 L226 E227 E299	R220-S223 PolarHBondContact O-N 3.08Å; S223-V225 PolarHBondContact O-N 3.24Å; S223-L226 PolarHBondContact O-N 3.46Å; S223-E227 WeakPolarHBondContact O-CB 3.32Å; S223-E227 WeakPolarHBondContact O-CG 3.33Å; S223-E227 PolarHBondContact O-N 2.79Å; S223-E299 WeakPolarHBondContact CB-OE2 3.06Å; S223-E299 PolarHBondContact N-OE2 2.66Å; S223-E299 PolarHBondContact OG-OE2 2.98Å
224	L	75.4	Confident	64.9	Low	68 Å²	68	71 Å²	71	36%	0.356	42%	0.418	S	S	.	.	H	α-helix	trans	-66.1	-35	-179	-75.4	169.6	0	0	0	112.5	R220 V222 L226 E227 N228	R220-L224 HydrophobicContact CB-CD1 4.26Å; R220-L224 HydrophobicContact CB-CG 4.31Å; R220-L224 WeakPolarHBondContact O-CB 3.22Å; R220-L224 WeakPolarHBondContact O-CG 3.43Å; R220-L224 PolarHBondContact O-N 3.38Å; V222-L224 VanDerWaalsContact C-N 3.35Å; V222-L224 PolarHBondContact O-N 3.25Å; L224-L226 VanDerWaalsContact C-N 3.3Å; L224-L226 PolarHBondContact O-N 3.38Å; L224-E227 PolarHBondContact O-N 3.05Å; L224-N228 WeakPolarHBondContact O-CB 3.5Å; L224-N228 PolarHBondContact O-N 3.5Å; L224-N228 PolarHBondContact O-ND2 3.06Å
225	V	76.9	Confident	67	Low	32 Å²	32	65.9 Å²	65.9	19%	0.194	39%	0.385	C	S	.	.	H	α-helix	trans	-61	-40.5	173.8	168.4	0	0	0	0	111	V192 Q195 L196 A199 E221 V222 S223 S229	V192-V225 HydrophobicContact CG1-CG1 3.68Å; Q195-V225 HydrophobicContact CB-CG1 3.75Å; L196-V225 HydrophobicContact CD2-CB 4.33Å; L196-V225 HydrophobicContact CD2-CG1 4.02Å; L196-V225 HydrophobicContact CG-CG1 4.15Å; A199-V225 HydrophobicContact CB-CG2 4.07Å; E221-V225 WeakPolarHBondContact O-CG2 3.2Å; E221-V225 PolarHBondContact O-N 3.38Å; V222-V225 PolarHBondContact O-N 3.37Å; S223-V225 PolarHBondContact O-N 3.24Å; V225-S229 WeakPolarHBondContact O-CB 3.13Å; V225-S229 PolarHBondContact O-N 2.86Å; V225-S229 VanDerWaalsContact O-N 3.15Å
226	L	74.7	Confident	69	Low	13 Å²	13	61.2 Å²	61.2	7%	0.068	35%	0.345	C	S	.	.	H	α-helix	trans	-77.1	-34.1	179.2	-66.1	169.4	0	0	0	113.3	I188 V192 L196 S223 L224 R237 L240 L296	I188-L226 HydrophobicContact CG2-CD2 4.21Å; V192-L226 HydrophobicContact CG1-CD2 4.37Å; L196-L226 HydrophobicContact CD1-CD2 4.19Å; L196-L226 HydrophobicContact CD2-CD1 4.36Å; L196-L226 HydrophobicContact CD2-CD2 4.24Å; L196-L226 HydrophobicContact CD2-CG 4.04Å; S223-L226 PolarHBondContact O-N 3.46Å; L224-L226 VanDerWaalsContact C-N 3.3Å; L224-L226 PolarHBondContact O-N 3.38Å; L226-R237 PolarHBondContact O-NE 2.98Å; L226-L240 HydrophobicContact CD1-CD2 3.88Å; L226-L296 HydrophobicContact CD1-CD1 3.84Å; L226-L296 HydrophobicContact CD1-CD2 3.82Å; L226-L296 HydrophobicContact CD1-CG 4.47Å
227	E	73.6	Confident	70.8	Confident	101 Å²	101	60.9 Å²	60.9	47%	0.472	32%	0.321	S	S	.	.	H	α-helix	trans	-73.5	-39.8	177.8	-73.4	175.3	-171.9	0	0	112	R220 S223 L224	R220-E227 IonicContact NH2-OE1 3.37Å; R220-E227 PolarHBondContact NH2-OE1 3.24Å; R220-E227 IonicContact NH2-OE2 3.1Å; R220-E227 PolarHBondContact NH2-OE2 3.35Å; S223-E227 WeakPolarHBondContact O-CB 3.32Å; S223-E227 WeakPolarHBondContact O-CG 3.33Å; S223-E227 PolarHBondContact O-N 2.79Å; L224-E227 PolarHBondContact O-N 3.05Å
228	N	68.4	Low	72.7	Confident	119 Å²	119	58 Å²	58	64%	0.636	30%	0.298	S	S	*	.	H	α-helix	trans	-91.1	-13.5	-176.1	-64.1	-29.7	0	0	0	114.2	L224 T230	L224-N228 WeakPolarHBondContact O-CB 3.5Å; L224-N228 PolarHBondContact O-N 3.5Å; L224-N228 PolarHBondContact O-ND2 3.06Å; N228-T230 PolarHBondContact O-N 3.21Å
229	S	68.8	Low	74.5	Confident	11 Å²	11	52.1 Å²	52.1	8%	0.077	27%	0.271	C	S	.	.			trans	-70.5	115.5	179.1	178.8	0	0	0	0	111.2	V225 V231 R237	V225-S229 WeakPolarHBondContact O-CB 3.13Å; V225-S229 PolarHBondContact O-N 2.86Å; V225-S229 VanDerWaalsContact O-N 3.15Å; S229-V231 PolarHBondContact O-N 3.31Å; S229-V231 PolarHBondContact OG-N 3Å; S229-R237 PolarHBondContact O-NH2 3.13Å
230	T	62	Low	75.9	Confident	141 Å²	141	48.5 Å²	48.5	87%	0.865	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-8.2	170.8	54	0	0	0	0	112.8	N228	N228-T230 PolarHBondContact O-N 3.21Å
231	V	69.4	Low	76.6	Confident	83 Å²	83	49.8 Å²	49.8	50%	0.503	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-22.4	-175.4	-163.8	0	0	0	0	111.8	C191 S229 P233	C191-V231 HydrophobicContact CB-CG1 3.99Å; C191-V231 WeakPolarHBondContact SG-CG1 3.3Å; S229-V231 PolarHBondContact O-N 3.31Å; S229-V231 PolarHBondContact OG-N 3Å; V231-P233 WeakPolarHBondContact O-CD 3.47Å
232	V	75.1	Confident	77.4	Confident	11 Å²	11	50.4 Å²	50.4	7%	0.067	26%	0.263	C	S	.	.	S	Bend	trans	-77.6	120.8	175.1	-176.3	0	0	0	0	109.9	P189 V192 H236 R237	P189-V232 HydrophobicContact CG-CG1 4.35Å; V192-V232 HydrophobicContact CG2-CG2 3.46Å; V192-V232 VanDerWaalsContact CG2-CG2 3.46Å; V232-H236 HydrophobicContact CG1-CB 3.95Å; V232-R237 HydrophobicContact CG1-CB 4.46Å; V232-R237 PolarHBondContact O-NH2 3.33Å
233	P	80.4	Confident	77.9	Confident	59 Å²	59	50.6 Å²	50.6	38%	0.383	26%	0.264	S	S	.	.			trans	-58.5	146.1	175.8	-22.4	32.9	0	0	0	111.7	V231 H235 H236 R237	V231-P233 WeakPolarHBondContact O-CD 3.47Å; P233-H235 VanDerWaalsContact C-N 3.32Å; P233-H235 PolarHBondContact O-N 2.85Å; P233-H236 WeakPolarHBondContact O-CB 3.33Å; P233-H236 PolarHBondContact O-N 3.45Å; P233-H236 VanDerWaalsContact O-N 3.11Å; P233-R237 PolarHBondContact O-N 2.87Å
234	F	79.8	Confident	78.3	Confident	104 Å²	104	50.5 Å²	50.5	46%	0.456	26%	0.262	S	S	.	.	H	α-helix	trans	-57.3	-41.5	-173.9	-178.7	-103.7	0	0	0	113.5	P119 H236 R237 L238	P119-F234 HydrophobicContact CG-CD1 4.44Å; P119-F234 HydrophobicContact CG-CE1 3.74Å; F234-H236 VanDerWaalsContact C-N 3.32Å; F234-H236 PolarHBondContact O-N 3.4Å; F234-R237 PolarHBondContact O-N 3.36Å; F234-L238 HydrophobicContact CD1-CD1 3.92Å; F234-L238 HydrophobicContact CD1-CG 4.42Å; F234-L238 HydrophobicContact CE1-CD1 3.26Å; F234-L238 HydrophobicContact CE1-CG 3.96Å; F234-L238 HydrophobicContact CE2-CG 4.42Å; F234-L238 HydrophobicContact CZ-CD1 3.61Å; F234-L238 HydrophobicContact CZ-CD2 4.19Å; F234-L238 HydrophobicContact CZ-CG 3.95Å; F234-L238 PolarHBondContact O-N 3.49Å; F234-L238 VanDerWaalsContact O-N 3.12Å
235	H	80.5	Confident	78.8	Confident	37 Å²	37	49.8 Å²	49.8	17%	0.171	26%	0.261	C	S	.	.	H	α-helix	trans	-64.1	-33.4	179	-61.4	-92	0	0	0	113.2	L113 F117 P233 T239	L113-H235 HydrophobicContact CB-CB 4.47Å; F117-H235 HydrophobicContact CE1-CB 3.84Å; F117-H235 AromaticContact CE1-ND1 3.88Å; F117-H235 AromaticContact CE2-ND1 3.87Å; F117-H235 HydrophobicContact CZ-CB 3.77Å; F117-H235 AromaticContact CZ-ND1 3.77Å; F117-H235 WeakPolarHBondContact CZ-O 3.4Å; F117-H235 PolarHBondContact O-CE1 3.22Å; F117-H235 PolarHBondContact O-ND1 2.9Å; F117-H235 VanDerWaalsContact O-ND1 3.1Å; P233-H235 VanDerWaalsContact C-N 3.32Å; P233-H235 PolarHBondContact O-N 2.85Å; H235-T239 WeakPolarHBondContact O-CB 3.18Å; H235-T239 PolarHBondContact O-N 3.21Å; H235-T239 VanDerWaalsContact O-N 3.11Å; H235-T239 PolarHBondContact O-OG1 2.63Å
236	H	82.8	Confident	79.2	Confident	4 Å²	4	48.3 Å²	48.3	2%	0.019	25%	0.252	C	S	.	.	H	α-helix	trans	-69.3	-41.6	176.2	-72.7	-115.6	0	0	0	111	D112 P186 V187 V232 P233 F234 T239 L240	D112-H236 IonicContact OD1-NE2 2.77Å; P186-H236 PolarHBondContact O-ND1 3.02Å; V187-H236 WeakPolarHBondContact O-CB 3.49Å; V187-H236 PolarHBondContact O-ND1 3.49Å; V232-H236 HydrophobicContact CG1-CB 3.95Å; P233-H236 WeakPolarHBondContact O-CB 3.33Å; P233-H236 PolarHBondContact O-N 3.45Å; P233-H236 VanDerWaalsContact O-N 3.11Å; F234-H236 VanDerWaalsContact C-N 3.32Å; F234-H236 PolarHBondContact O-N 3.4Å; H236-T239 PolarHBondContact O-N 2.96Å; H236-L240 VanDerWaalsContact O-CB 3.31Å; H236-L240 WeakPolarHBondContact O-CB 3.32Å; H236-L240 PolarHBondContact O-N 3.1Å
237	R	82	Confident	79.8	Confident	65 Å²	65	47.8 Å²	47.8	25%	0.245	25%	0.249	C	C	.	.	H	α-helix	trans	-63	-44.1	177.5	-168	-178.3	-62.6	102.7	3	112.1	L226 S229 V232 P233 F234 Q241	L226-R237 PolarHBondContact O-NE 2.98Å; S229-R237 PolarHBondContact O-NH2 3.13Å; V232-R237 HydrophobicContact CG1-CB 4.46Å; V232-R237 PolarHBondContact O-NH2 3.33Å; P233-R237 PolarHBondContact O-N 2.87Å; F234-R237 PolarHBondContact O-N 3.36Å; R237-Q241 WeakPolarHBondContact O-CB 3.41Å; R237-Q241 PolarHBondContact O-N 2.74Å
238	L	82.5	Confident	80.3	Confident	30 Å²	30	43 Å²	43	16%	0.157	23%	0.227	C	C	.	.	H	α-helix	trans	-64	-47.7	177.9	-74.5	-175.2	0	0	0	112.1	F117 T122 F234 L240 Q241 Y242	F117-L238 HydrophobicContact CE2-CB 4.28Å; F117-L238 HydrophobicContact CE2-CD1 4.01Å; F117-L238 HydrophobicContact CZ-CB 4.26Å; T122-L238 CarbonylContact O-C 3.57Å; T122-L238 WeakPolarHBondContact O-CB 3.35Å; F234-L238 HydrophobicContact CD1-CD1 3.92Å; F234-L238 HydrophobicContact CD1-CG 4.42Å; F234-L238 HydrophobicContact CE1-CD1 3.26Å; F234-L238 HydrophobicContact CE1-CG 3.96Å; F234-L238 HydrophobicContact CE2-CG 4.42Å; F234-L238 HydrophobicContact CZ-CD1 3.61Å; F234-L238 HydrophobicContact CZ-CD2 4.19Å; F234-L238 HydrophobicContact CZ-CG 3.95Å; F234-L238 PolarHBondContact O-N 3.49Å; F234-L238 VanDerWaalsContact O-N 3.12Å; L238-L240 VanDerWaalsContact C-N 3.35Å; L238-L240 PolarHBondContact O-N 3.05Å; L238-Q241 PolarHBondContact O-N 3.47Å; L238-Y242 PolarHBondContact O-N 3.18Å
239	T	84.8	Confident	81.1	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-60.8	-43.5	178.1	-53.2	0	0	0	0	111.4	L113 L127 H235 H236 Y242 L243	L113-T239 HydrophobicContact CD2-CG2 4.32Å; L127-T239 HydrophobicContact CD2-CG2 3.86Å; H235-T239 WeakPolarHBondContact O-CB 3.18Å; H235-T239 PolarHBondContact O-N 3.21Å; H235-T239 VanDerWaalsContact O-N 3.11Å; H235-T239 PolarHBondContact O-OG1 2.63Å; H236-T239 PolarHBondContact O-N 2.96Å; T239-Y242 PolarHBondContact O-N 2.54Å; T239-L243 HydrophobicContact CG2-CD1 4.12Å; T239-L243 WeakPolarHBondContact O-CG 3.49Å; T239-L243 PolarHBondContact O-N 2.98Å
240	L	85.3	Confident	81.9	Confident	12 Å²	12	40.4 Å²	40.4	6%	0.063	21%	0.208	C	C	.	.	H	α-helix	trans	-62.1	-44.2	175.6	-176.2	64.3	0	0	0	112	V187 I188 L226 H236 L238 Y242 L243 L244 L272	V187-L240 HydrophobicContact CG1-CB 3.89Å; V187-L240 HydrophobicContact CG1-CD1 4.12Å; I188-L240 HydrophobicContact CD1-CD1 4.2Å; I188-L240 HydrophobicContact CD1-CD2 4.22Å; I188-L240 HydrophobicContact CG1-CD1 4.14Å; I188-L240 HydrophobicContact CG1-CD2 3.99Å; L226-L240 HydrophobicContact CD1-CD2 3.88Å; H236-L240 VanDerWaalsContact O-CB 3.31Å; H236-L240 WeakPolarHBondContact O-CB 3.32Å; H236-L240 PolarHBondContact O-N 3.1Å; L238-L240 VanDerWaalsContact C-N 3.35Å; L238-L240 PolarHBondContact O-N 3.05Å; L240-Y242 VanDerWaalsContact C-N 3.29Å; L240-Y242 PolarHBondContact O-N 3.13Å; L240-L243 PolarHBondContact O-N 3.22Å; L240-L244 HydrophobicContact CD1-CD1 4.25Å; L240-L244 HydrophobicContact CD1-CG 4.24Å; L240-L244 HydrophobicContact CG-CD1 3.99Å; L240-L244 HydrophobicContact CG-CG 4.39Å; L240-L244 WeakPolarHBondContact O-CB 3.48Å; L240-L244 VanDerWaalsContact O-CG 3.3Å; L240-L244 WeakPolarHBondContact O-CG 3.35Å; L240-L244 PolarHBondContact O-N 3.47Å; L240-L272 HydrophobicContact CD1-CD1 4.28Å; L240-L272 HydrophobicContact CD1-CD2 4.44Å
241	Q	84.6	Confident	82.9	Confident	112 Å²	112	34.3 Å²	34.3	52%	0.523	17%	0.17	S	C	.	.	H	α-helix	trans	-62.5	-39.1	178.9	-172	178.6	8.9	0	0	111.6	R237 L238 T245 R300	R237-Q241 WeakPolarHBondContact O-CB 3.41Å; R237-Q241 PolarHBondContact O-N 2.74Å; L238-Q241 PolarHBondContact O-N 3.47Å; Q241-T245 PolarHBondContact O-N 2.92Å; Q241-T245 PolarHBondContact O-OG1 3.34Å; Q241-R300 PolarHBondContact O-NH1 2.78Å; Q241-R300 PolarHBondContact O-NH2 3.11Å; Q241-R300 VanDerWaalsContact O-NH2 3.09Å
242	Y	85.1	Confident	83.5	Confident	43 Å²	43	36.7 Å²	36.7	17%	0.169	18%	0.176	C	C	.	.	H	α-helix	trans	-65.7	-49.7	176.5	-169	-96.5	0	0	0	111.6	A123 V128 I131 L238 T239 L240 L244 T245 H246	A123-Y242 HydrophobicContact CB-CD1 3.82Å; A123-Y242 HydrophobicContact CB-CD2 4.29Å; A123-Y242 HydrophobicContact CB-CE1 4.47Å; A123-Y242 HydrophobicContact CB-CG 3.72Å; V128-Y242 HydrophobicContact CG2-CE1 4.08Å; V128-Y242 HydrophobicContact CG2-CE2 4.42Å; I131-Y242 HydrophobicContact CB-CE1 4.05Å; I131-Y242 HydrophobicContact CD1-CD1 3.95Å; I131-Y242 HydrophobicContact CD1-CE1 3.74Å; I131-Y242 HydrophobicContact CG1-CE1 4.49Å; I131-Y242 HydrophobicContact CG2-CE1 3.83Å; L238-Y242 PolarHBondContact O-N 3.18Å; T239-Y242 PolarHBondContact O-N 2.54Å; L240-Y242 VanDerWaalsContact C-N 3.29Å; L240-Y242 PolarHBondContact O-N 3.13Å; Y242-L244 PolarHBondContact O-N 3.16Å; Y242-T245 WeakPolarHBondContact O-CA 3.37Å; Y242-T245 VanDerWaalsContact O-CB 3.32Å; Y242-T245 WeakPolarHBondContact O-CB 3.46Å; Y242-T245 PolarHBondContact O-N 2.97Å; Y242-H246 PolarHBondContact O-N 2.96Å; Y242-H246 VanDerWaalsContact O-N 3.13Å
243	L	86.4	Confident	83.8	Confident	4 Å²	4	36.9 Å²	36.9	2%	0.021	18%	0.179	C	C	.	.	H	α-helix	trans	-59	-47.4	177.2	-75.3	168.8	0	0	0	112.6	L127 I131 L180 V187 T239 L240 T245 H246 L247 L272	L127-L243 HydrophobicContact CD1-CD2 4.38Å; L127-L243 HydrophobicContact CD2-CD1 4.49Å; L127-L243 HydrophobicContact CD2-CD2 4.11Å; L127-L243 HydrophobicContact CD2-CG 4.28Å; I131-L243 HydrophobicContact CD1-CD2 3.7Å; L180-L243 HydrophobicContact CD1-CD1 4.38Å; L180-L243 HydrophobicContact CD1-CD2 4.34Å; L180-L243 HydrophobicContact CD2-CD1 3.75Å; V187-L243 HydrophobicContact CG1-CD1 4.46Å; V187-L243 HydrophobicContact CG2-CD1 4.44Å; T239-L243 HydrophobicContact CG2-CD1 4.12Å; T239-L243 WeakPolarHBondContact O-CG 3.49Å; T239-L243 PolarHBondContact O-N 2.98Å; L240-L243 PolarHBondContact O-N 3.22Å; L243-T245 PolarHBondContact O-N 3.38Å; L243-T245 VanDerWaalsContact O-N 3.16Å; L243-H246 WeakPolarHBondContact O-CB 3.36Å; L243-H246 PolarHBondContact O-N 3.42Å; L243-L247 WeakPolarHBondContact O-CG 3.44Å; L243-L247 PolarHBondContact O-N 2.93Å; L243-L272 HydrophobicContact CD1-CD2 3.91Å
244	L	85.2	Confident	83.8	Confident	12 Å²	12	38.3 Å²	38.3	6%	0.063	18%	0.18	C	C	.	.	H	α-helix	trans	-61	-26.4	176	-70.8	173.2	0	0	0	111.8	L240 Y242 T248 L296 L297 R300	L240-L244 HydrophobicContact CD1-CD1 4.25Å; L240-L244 HydrophobicContact CD1-CG 4.24Å; L240-L244 HydrophobicContact CG-CD1 3.99Å; L240-L244 HydrophobicContact CG-CG 4.39Å; L240-L244 WeakPolarHBondContact O-CB 3.48Å; L240-L244 VanDerWaalsContact O-CG 3.3Å; L240-L244 WeakPolarHBondContact O-CG 3.35Å; L240-L244 PolarHBondContact O-N 3.47Å; Y242-L244 PolarHBondContact O-N 3.16Å; L244-T248 PolarHBondContact O-N 3.09Å; L244-T248 VanDerWaalsContact O-N 3.1Å; L244-T248 PolarHBondContact O-OG1 3.19Å; L244-L296 HydrophobicContact CD1-CB 4.43Å; L244-L296 HydrophobicContact CD2-CB 4.11Å; L244-L297 HydrophobicContact CD2-CD2 4.13Å; L244-R300 PolarHBondContact O-NH1 3.11Å
245	T	85.4	Confident	83.6	Confident	52 Å²	52	38.5 Å²	38.5	32%	0.319	20%	0.201	S	C	.	.	H	α-helix	trans	-74.5	-41.3	179.6	-54.1	0	0	0	0	110.2	Q241 Y242 L243 K249 R300	Q241-T245 PolarHBondContact O-N 2.92Å; Q241-T245 PolarHBondContact O-OG1 3.34Å; Y242-T245 WeakPolarHBondContact O-CA 3.37Å; Y242-T245 VanDerWaalsContact O-CB 3.32Å; Y242-T245 WeakPolarHBondContact O-CB 3.46Å; Y242-T245 PolarHBondContact O-N 2.97Å; L243-T245 PolarHBondContact O-N 3.38Å; L243-T245 VanDerWaalsContact O-N 3.16Å; T245-K249 PolarHBondContact O-N 2.81Å; T245-R300 PolarHBondContact OG1-NH1 3.47Å
246	H	86.8	Confident	83.3	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.009	21%	0.208	C	C	.	.	H	α-helix	trans	-60.7	-50.3	171.7	177.9	59.7	0	0	0	111.6	I131 E135 Y145 Y242 L243 T248 K249 V250	I131-H246 HydrophobicContact CG2-CB 3.84Å; E135-H246 VanDerWaalsContact CG-ND1 3.32Å; E135-H246 WeakPolarHBondContact CG-ND1 3.35Å; E135-H246 IonicContact OE1-CG 2.74Å; E135-H246 IonicContact OE1-ND1 3.74Å; E135-H246 PolarHBondContact OE1-ND1 2.97Å; Y145-H246 AromaticContact CE2-NE2 3.79Å; Y145-H246 AromaticContact CZ-NE2 3.68Å; Y145-H246 PolarHBondContact OH-CD2 3.32Å; Y145-H246 PolarHBondContact OH-NE2 3.2Å; Y242-H246 PolarHBondContact O-N 2.96Å; Y242-H246 VanDerWaalsContact O-N 3.13Å; L243-H246 WeakPolarHBondContact O-CB 3.36Å; L243-H246 PolarHBondContact O-N 3.42Å; H246-T248 VanDerWaalsContact C-N 3.3Å; H246-T248 PolarHBondContact O-N 3.23Å; H246-K249 WeakPolarHBondContact O-CB 3.14Å; H246-K249 PolarHBondContact O-N 3.45Å; H246-V250 WeakPolarHBondContact O-CG2 3.38Å; H246-V250 PolarHBondContact O-N 3.05Å
247	L	86.9	Confident	83.1	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-60.8	-36.7	-179.3	-66.5	177.2	0	0	0	112.8	L243 V250 L251 L264 F268 L297	L243-L247 WeakPolarHBondContact O-CG 3.44Å; L243-L247 PolarHBondContact O-N 2.93Å; L247-V250 WeakPolarHBondContact O-CB 3.21Å; L247-V250 PolarHBondContact O-N 2.86Å; L247-L251 WeakPolarHBondContact O-CG 2.92Å; L247-L251 PolarHBondContact O-N 3.34Å; L247-L264 HydrophobicContact CD2-CD1 4.46Å; L247-L264 HydrophobicContact CD2-CD2 4.22Å; L247-F268 HydrophobicContact CD1-CB 4.41Å; L247-F268 HydrophobicContact CD1-CD2 4.37Å; L247-F268 HydrophobicContact CD1-CG 4.18Å; L247-F268 HydrophobicContact CD2-CD1 4.43Å; L247-F268 HydrophobicContact CD2-CD2 3.66Å; L247-F268 HydrophobicContact CD2-CE1 4.25Å; L247-F268 HydrophobicContact CD2-CE2 3.45Å; L247-F268 VanDerWaalsContact CD2-CE2 3.45Å; L247-F268 HydrophobicContact CD2-CG 4.15Å; L247-F268 HydrophobicContact CD2-CZ 3.77Å; L247-L297 HydrophobicContact CB-CD2 3.61Å; L247-L297 HydrophobicContact CD1-CD2 4.37Å
248	T	84.9	Confident	82.9	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.006	22%	0.216	C	C	.	.	H	α-helix	trans	-64.2	-38.8	173.3	-55.8	0	0	0	0	112.5	L244 H246 V250 L251 Q252 R300 T301 Q304	L244-T248 PolarHBondContact O-N 3.09Å; L244-T248 VanDerWaalsContact O-N 3.1Å; L244-T248 PolarHBondContact O-OG1 3.19Å; H246-T248 VanDerWaalsContact C-N 3.3Å; H246-T248 PolarHBondContact O-N 3.23Å; T248-V250 VanDerWaalsContact C-N 3.33Å; T248-L251 WeakPolarHBondContact O-CB 3.25Å; T248-L251 PolarHBondContact O-N 3.3Å; T248-Q252 WeakPolarHBondContact O-CG 3.26Å; T248-Q252 PolarHBondContact O-N 3.19Å; T248-R300 WeakPolarHBondContact OG1-CD 3.46Å; T248-T301 HydrophobicContact CG2-CG2 3.98Å; T248-Q304 VanDerWaalsContact CG2-OE1 3.23Å
249	K	84.3	Confident	82.8	Confident	75 Å²	75	36.2 Å²	36.2	33%	0.326	21%	0.209	S	C	.	.	H	α-helix	trans	-65.9	-36.7	174	-69.2	167.3	176.5	172.8	0	111.9	E135 T245 H246 L251 Q252 A253	E135-K249 HydrophobicContact CG-CD 4.45Å; E135-K249 WeakPolarHBondContact OE1-CD 3.47Å; E135-K249 IonicContact OE1-NZ 3.84Å; E135-K249 PolarHBondContact OE1-NZ 3.39Å; E135-K249 VanDerWaalsContact OE1-NZ 3.1Å; E135-K249 IonicContact OE2-NZ 2.85Å; E135-K249 PolarHBondContact OE2-NZ 3.41Å; T245-K249 PolarHBondContact O-N 2.81Å; H246-K249 WeakPolarHBondContact O-CB 3.14Å; H246-K249 PolarHBondContact O-N 3.45Å; K249-L251 VanDerWaalsContact C-N 3.32Å; K249-Q252 PolarHBondContact O-N 3.1Å; K249-A253 PolarHBondContact O-N 3.14Å
250	V	84.9	Confident	82.6	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.6	-40.9	173.7	176	0	0	0	0	110.8	L139 L144 Y145 H246 L247 T248 A253 Q254 N257 L259 L264	L139-V250 HydrophobicContact CD2-CG2 3.86Å; L144-V250 HydrophobicContact CD2-CG1 4.07Å; L144-V250 HydrophobicContact CD2-CG2 4.2Å; Y145-V250 HydrophobicContact CE2-CG2 4.46Å; H246-V250 WeakPolarHBondContact O-CG2 3.38Å; H246-V250 PolarHBondContact O-N 3.05Å; L247-V250 WeakPolarHBondContact O-CB 3.21Å; L247-V250 PolarHBondContact O-N 2.86Å; T248-V250 VanDerWaalsContact C-N 3.33Å; V250-A253 CarbonylContact O-C 3.19Å; V250-A253 PolarHBondContact O-N 3.17Å; V250-Q254 PolarHBondContact O-N 2.55Å; V250-N257 PolarHBondContact O-ND2 3.45Å; V250-L259 HydrophobicContact CG1-CB 4.3Å; V250-L259 HydrophobicContact CG1-CD1 3.57Å; V250-L264 HydrophobicContact CG1-CD1 4.37Å; V250-L264 HydrophobicContact CG1-CD2 4.31Å
251	L	83.4	Confident	82.5	Confident	13 Å²	13	40.6 Å²	40.6	7%	0.068	23%	0.234	C	C	.	.	H	α-helix	trans	-64.6	-38.1	173.5	-74.3	173.2	0	0	0	113	L247 T248 K249 A253 Q254 T261 L264 L297 T301	L247-L251 WeakPolarHBondContact O-CG 2.92Å; L247-L251 PolarHBondContact O-N 3.34Å; T248-L251 WeakPolarHBondContact O-CB 3.25Å; T248-L251 PolarHBondContact O-N 3.3Å; K249-L251 VanDerWaalsContact C-N 3.32Å; L251-A253 PolarHBondContact O-N 3.08Å; L251-Q254 WeakPolarHBondContact O-CB 3.27Å; L251-Q254 PolarHBondContact O-N 2.9Å; L251-T261 HydrophobicContact CD1-CG2 3.84Å; L251-T261 HydrophobicContact CD2-CG2 3.86Å; L251-L264 HydrophobicContact CD1-CD1 4.3Å; L251-L264 HydrophobicContact CD2-CD1 3.56Å; L251-L264 HydrophobicContact CG-CD1 3.56Å; L251-L297 HydrophobicContact CD1-CB 3.96Å; L251-L297 HydrophobicContact CD1-CD1 4.12Å; L251-L297 HydrophobicContact CD1-CD2 4.14Å; L251-L297 HydrophobicContact CD1-CG 4.29Å; L251-T301 HydrophobicContact CD1-CG2 4.22Å
252	Q	83.3	Confident	82.4	Confident	133 Å²	133	39.1 Å²	39.1	62%	0.621	23%	0.227	S	C	*	.	H	α-helix	trans	-60.7	-30.1	174.5	-71.4	175.2	-3.3	0	0	112.1	T248 K249 Q254	T248-Q252 WeakPolarHBondContact O-CG 3.26Å; T248-Q252 PolarHBondContact O-N 3.19Å; K249-Q252 PolarHBondContact O-N 3.1Å; Q252-Q254 VanDerWaalsContact C-N 3.34Å
253	A	80.8	Confident	82.3	Confident	15 Å²	15	39 Å²	39	12%	0.124	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	16.1	174.2	0	0	0	0	0	113.8	L139 K249 V250 L251 A255 S256 N257	L139-A253 HydrophobicContact CB-CB 4.23Å; K249-A253 PolarHBondContact O-N 3.14Å; V250-A253 CarbonylContact O-C 3.19Å; V250-A253 PolarHBondContact O-N 3.17Å; L251-A253 PolarHBondContact O-N 3.08Å; A253-A255 PolarHBondContact O-N 3.49Å; A253-A255 VanDerWaalsContact O-N 3.11Å; A253-S256 PolarHBondContact O-N 3.3Å; A253-N257 VanDerWaalsContact O-CG 3.22Å; A253-N257 PolarHBondContact O-N 3.45Å; A253-N257 PolarHBondContact O-ND2 2.92Å; A253-N257 PolarHBondContact O-OD1 3.37Å
254	Q	80.9	Confident	82.2	Confident	90 Å²	90	38.9 Å²	38.9	42%	0.421	23%	0.23	S	C	.	.	H	α-helix	trans	-52.3	-35.8	-178.9	176.7	178.8	-10.2	0	0	113	V250 L251 Q252 S256 N257 G258 L259	V250-Q254 PolarHBondContact O-N 2.55Å; L251-Q254 WeakPolarHBondContact O-CB 3.27Å; L251-Q254 PolarHBondContact O-N 2.9Å; Q252-Q254 VanDerWaalsContact C-N 3.34Å; Q254-S256 PolarHBondContact O-N 2.87Å; Q254-N257 VanDerWaalsContact CA-OD1 3.3Å; Q254-N257 WeakPolarHBondContact CA-OD1 3.41Å; Q254-G258 WeakPolarHBondContact O-CA 3.32Å; Q254-G258 PolarHBondContact O-N 3.19Å; Q254-L259 WeakPolarHBondContact CG-O 3.48Å
255	A	73.8	Confident	82	Confident	108 Å²	108	38.3 Å²	38.3	89%	0.893	23%	0.227	S	C	*	.	H	α-helix	trans	-61.4	-29.7	177.9	0	0	0	0	0	113.2	A253	A253-A255 PolarHBondContact O-N 3.49Å; A253-A255 VanDerWaalsContact O-N 3.11Å
256	S	75.6	Confident	81.9	Confident	45 Å²	45	41.1 Å²	41.1	32%	0.315	24%	0.235	S	C	.	.	H	α-helix	trans	-93.5	-47.5	-178.6	-58.6	0	0	0	0	112.4	D140 K142 A253 Q254	D140-S256 WeakPolarHBondContact OD1-CB 3.33Å; D140-S256 PolarHBondContact OD1-OG 3.26Å; K142-S256 WeakPolarHBondContact CG-O 3.38Å; A253-S256 PolarHBondContact O-N 3.3Å; Q254-S256 PolarHBondContact O-N 2.87Å
257	N	78.5	Confident	81.7	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-90.5	-20.6	-174.2	62.3	34.4	0	0	0	113.9	L139 S141 R146 V250 A253 Q254 L259	L139-N257 WeakPolarHBondContact O-CB 3.26Å; L139-N257 PolarHBondContact O-ND2 3.25Å; L139-N257 VanDerWaalsContact O-ND2 3.09Å; S141-N257 WeakPolarHBondContact O-CB 3.38Å; R146-N257 PolarHBondContact NH1-O 3.21Å; V250-N257 PolarHBondContact O-ND2 3.45Å; A253-N257 VanDerWaalsContact O-CG 3.22Å; A253-N257 PolarHBondContact O-N 3.45Å; A253-N257 PolarHBondContact O-ND2 2.92Å; A253-N257 PolarHBondContact O-OD1 3.37Å; Q254-N257 VanDerWaalsContact CA-OD1 3.3Å; Q254-N257 WeakPolarHBondContact CA-OD1 3.41Å; N257-L259 VanDerWaalsContact C-N 3.34Å; N257-L259 HydrophobicContact CB-CD1 4.44Å; N257-L259 WeakPolarHBondContact OD1-CB 3.36Å; N257-L259 PolarHBondContact OD1-N 3.4Å
258	G	76.9	Confident	81.6	Confident	42 Å²	42	42.9 Å²	42.9	43%	0.433	24%	0.244	S	C	.	.			trans	70.6	20.4	-178.8	0	0	0	0	0	114.9	R146 Q254	R146-G258 VanDerWaalsContact NH2-C 3.25Å; R146-G258 PolarHBondContact NH2-O 3.47Å; Q254-G258 WeakPolarHBondContact O-CA 3.32Å; Q254-G258 PolarHBondContact O-N 3.19Å
259	L	80.9	Confident	81.6	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.244	C	C	.	.			trans	-92.1	108.7	177.6	-67.3	167.3	0	0	0	109.5	L144 Y145 V250 Q254 N257 T263 L264 I267	L144-L259 HydrophobicContact CB-CD1 4.38Å; L144-L259 HydrophobicContact CD2-CD1 4.23Å; L144-L259 HydrophobicContact CG-CD1 4.39Å; Y145-L259 HydrophobicContact CD2-CD1 4.42Å; V250-L259 HydrophobicContact CG1-CB 4.3Å; V250-L259 HydrophobicContact CG1-CD1 3.57Å; Q254-L259 WeakPolarHBondContact CG-O 3.48Å; N257-L259 VanDerWaalsContact C-N 3.34Å; N257-L259 HydrophobicContact CB-CD1 4.44Å; N257-L259 WeakPolarHBondContact OD1-CB 3.36Å; N257-L259 PolarHBondContact OD1-N 3.4Å; L259-T263 HydrophobicContact CD2-CG2 3.8Å; L259-L264 HydrophobicContact CB-CD2 4.18Å; L259-L264 HydrophobicContact CB-CG 4.28Å; L259-L264 HydrophobicContact CD1-CD2 4.16Å; L259-L264 HydrophobicContact CD2-CD2 4.44Å; L259-L264 HydrophobicContact CG-CD2 4.49Å; L259-I267 HydrophobicContact CD2-CD1 4.32Å
260	D	81.4	Confident	81.5	Confident	56 Å²	56	42.6 Å²	42.6	30%	0.299	25%	0.25	S	C	.	.			trans	-87.9	169.6	173	65	-9	0	0	0	111.6	H262 T263 L264	D260-H262 PolarHBondContact O-N 2.87Å; D260-T263 PolarHBondContact O-N 3.49Å; D260-T263 WeakPolarHBondContact OD1-CA 3Å; D260-T263 WeakPolarHBondContact OD1-CB 3.47Å; D260-T263 PolarHBondContact OD1-N 3.23Å; D260-T263 PolarHBondContact OD1-OG1 3.07Å; D260-L264 PolarHBondContact O-N 3.34Å
261	T	82.3	Confident	81.4	Confident	48 Å²	48	43.6 Å²	43.6	29%	0.294	26%	0.255	S	S	.	.	H	α-helix	trans	-54.4	-41.8	-179.7	47.2	0	0	0	0	112.1	L251 L264 G265 V298	L251-T261 HydrophobicContact CD1-CG2 3.84Å; L251-T261 HydrophobicContact CD2-CG2 3.86Å; T261-L264 PolarHBondContact O-N 2.97Å; T261-G265 PolarHBondContact O-N 3.16Å; T261-V298 HydrophobicContact CG2-CG2 4.45Å
262	H	83.1	Confident	81.4	Confident	81 Å²	81	43 Å²	43	38%	0.375	25%	0.252	S	S	.	.	H	α-helix	trans	-65.1	-45.3	177.3	-173.2	53.3	0	0	0	113	D260 L264 G265 K266 E294	D260-H262 PolarHBondContact O-N 2.87Å; H262-L264 VanDerWaalsContact C-N 3.33Å; H262-L264 PolarHBondContact O-N 2.98Å; H262-G265 PolarHBondContact O-N 2.9Å; H262-K266 VanDerWaalsContact CE1-CE 3.48Å; H262-K266 WeakPolarHBondContact CE1-CE 3.43Å; H262-K266 VanDerWaalsContact NE2-CE 3.27Å; H262-K266 WeakPolarHBondContact NE2-CE 3.44Å; H262-K266 PolarHBondContact NE2-NZ 3.37Å; H262-K266 WeakPolarHBondContact O-CG 3.4Å; H262-K266 PolarHBondContact O-N 3.4Å; H262-E294 WeakPolarHBondContact CA-OE1 3.11Å; H262-E294 IonicContact CE1-OE1 3.77Å; H262-E294 IonicContact CG-OE1 3.8Å; H262-E294 IonicContact ND1-OE1 3.41Å; H262-E294 PolarHBondContact ND1-OE1 2.97Å
263	T	82.9	Confident	81.3	Confident	41 Å²	41	36.8 Å²	36.8	25%	0.252	22%	0.223	S	C	.	.	H	α-helix	trans	-65.4	-37.8	178.7	-60.1	0	0	0	0	111.4	L259 D260 K266 I267	L259-T263 HydrophobicContact CD2-CG2 3.8Å; D260-T263 PolarHBondContact O-N 3.49Å; D260-T263 WeakPolarHBondContact OD1-CA 3Å; D260-T263 WeakPolarHBondContact OD1-CB 3.47Å; D260-T263 PolarHBondContact OD1-N 3.23Å; D260-T263 PolarHBondContact OD1-OG1 3.07Å; T263-K266 PolarHBondContact O-N 2.79Å; T263-I267 HydrophobicContact CG2-CD1 3.96Å; T263-I267 VanDerWaalsContact O-CG1 3.31Å; T263-I267 WeakPolarHBondContact O-CG1 3.31Å; T263-I267 PolarHBondContact O-N 2.78Å; T263-I267 VanDerWaalsContact O-N 3.15Å
264	L	83.6	Confident	81.2	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-67.7	-39.1	173.7	-69.3	179.9	0	0	0	112.1	L247 V250 L251 L259 D260 T261 H262 K266 I267 F268 L297	L247-L264 HydrophobicContact CD2-CD1 4.46Å; L247-L264 HydrophobicContact CD2-CD2 4.22Å; V250-L264 HydrophobicContact CG1-CD1 4.37Å; V250-L264 HydrophobicContact CG1-CD2 4.31Å; L251-L264 HydrophobicContact CD1-CD1 4.3Å; L251-L264 HydrophobicContact CD2-CD1 3.56Å; L251-L264 HydrophobicContact CG-CD1 3.56Å; L259-L264 HydrophobicContact CB-CD2 4.18Å; L259-L264 HydrophobicContact CB-CG 4.28Å; L259-L264 HydrophobicContact CD1-CD2 4.16Å; L259-L264 HydrophobicContact CD2-CD2 4.44Å; L259-L264 HydrophobicContact CG-CD2 4.49Å; D260-L264 PolarHBondContact O-N 3.34Å; T261-L264 PolarHBondContact O-N 2.97Å; H262-L264 VanDerWaalsContact C-N 3.33Å; H262-L264 PolarHBondContact O-N 2.98Å; L264-K266 VanDerWaalsContact C-N 3.32Å; L264-K266 PolarHBondContact O-N 3.4Å; L264-I267 PolarHBondContact O-N 2.99Å; L264-F268 HydrophobicContact CD2-CD2 4.3Å; L264-F268 HydrophobicContact CD2-CE2 4.14Å; L264-F268 WeakPolarHBondContact O-CB 3.46Å; L264-F268 PolarHBondContact O-N 3.42Å; L264-L297 HydrophobicContact CB-CD1 4.06Å; L264-L297 HydrophobicContact CD1-CD1 4.32Å
265	G	82.3	Confident	80.4	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-57.7	-43	172.4	0	0	0	0	0	112.3	T261 H262 I267 G269	T261-G265 PolarHBondContact O-N 3.16Å; H262-G265 PolarHBondContact O-N 2.9Å; G265-I267 PolarHBondContact O-N 3.5Å; G265-G269 WeakPolarHBondContact O-CA 3.48Å; G265-G269 PolarHBondContact O-N 3.34Å
266	K	83.3	Confident	79.5	Confident	111 Å²	111	38.3 Å²	38.3	48%	0.483	22%	0.223	S	C	.	.	H	α-helix	trans	-63.4	-38.5	175.5	-75.4	-179.5	175.5	-177.3	0	114.1	H262 T263 L264 P270 I290	H262-K266 VanDerWaalsContact CE1-CE 3.48Å; H262-K266 WeakPolarHBondContact CE1-CE 3.43Å; H262-K266 VanDerWaalsContact NE2-CE 3.27Å; H262-K266 WeakPolarHBondContact NE2-CE 3.44Å; H262-K266 PolarHBondContact NE2-NZ 3.37Å; H262-K266 WeakPolarHBondContact O-CG 3.4Å; H262-K266 PolarHBondContact O-N 3.4Å; T263-K266 PolarHBondContact O-N 2.79Å; L264-K266 VanDerWaalsContact C-N 3.32Å; L264-K266 PolarHBondContact O-N 3.4Å; K266-P270 WeakPolarHBondContact O-CD 3.41Å; K266-I290 HydrophobicContact CG-CD1 3.98Å; K266-I290 HydrophobicContact CG-CG1 4.45Å; K266-I290 HydrophobicContact CG-CG2 4.22Å
267	I	82.5	Confident	78.2	Confident	38 Å²	38	42.6 Å²	42.6	20%	0.195	25%	0.25	C	S	.	.	H	α-helix	trans	-79.2	-47.2	-177.2	-65.4	166	0	0	0	110.9	L177 L259 T263 L264 G265 L271	L177-I267 HydrophobicContact CD2-CG2 3.75Å; L259-I267 HydrophobicContact CD2-CD1 4.32Å; T263-I267 HydrophobicContact CG2-CD1 3.96Å; T263-I267 VanDerWaalsContact O-CG1 3.31Å; T263-I267 WeakPolarHBondContact O-CG1 3.31Å; T263-I267 PolarHBondContact O-N 2.78Å; T263-I267 VanDerWaalsContact O-N 3.15Å; L264-I267 PolarHBondContact O-N 2.99Å; G265-I267 PolarHBondContact O-N 3.5Å; I267-L271 WeakPolarHBondContact O-CD1 3.43Å
268	F	84.8	Confident	76.5	Confident	3 Å²	3	47.3 Å²	47.3	1%	0.013	28%	0.283	C	S	.	.	H	α-helix	trans	-96.2	-20.1	-172	-72.5	-87.4	0	0	0	114.1	Y145 L177 L180 L247 L264 L271 L272	Y145-F268 HydrophobicContact CD1-CE2 4.44Å; Y145-F268 AromaticContact CD1-CZ 3.94Å; Y145-F268 HydrophobicContact CD1-CZ 3.94Å; Y145-F268 HydrophobicContact CD2-CE2 4.08Å; Y145-F268 HydrophobicContact CD2-CZ 4.13Å; Y145-F268 AromaticContact CE1-CZ 3.84Å; Y145-F268 HydrophobicContact CE1-CZ 3.84Å; Y145-F268 HydrophobicContact CE2-CE2 4.33Å; Y145-F268 HydrophobicContact CE2-CZ 4.04Å; Y145-F268 HydrophobicContact CG-CE2 4.17Å; Y145-F268 HydrophobicContact CG-CZ 4.1Å; Y145-F268 AromaticContact CZ-CZ 3.9Å; L177-F268 HydrophobicContact CD2-CE1 4.02Å; L177-F268 HydrophobicContact CD2-CZ 4Å; L180-F268 HydrophobicContact CD1-CD1 4.03Å; L180-F268 HydrophobicContact CD1-CE1 3.99Å; L247-F268 HydrophobicContact CD1-CB 4.41Å; L247-F268 HydrophobicContact CD1-CD2 4.37Å; L247-F268 HydrophobicContact CD1-CG 4.18Å; L247-F268 HydrophobicContact CD2-CD1 4.43Å; L247-F268 HydrophobicContact CD2-CD2 3.66Å; L247-F268 HydrophobicContact CD2-CE1 4.25Å; L247-F268 HydrophobicContact CD2-CE2 3.45Å; L247-F268 VanDerWaalsContact CD2-CE2 3.45Å; L247-F268 HydrophobicContact CD2-CG 4.15Å; L247-F268 HydrophobicContact CD2-CZ 3.77Å; L264-F268 HydrophobicContact CD2-CD2 4.3Å; L264-F268 HydrophobicContact CD2-CE2 4.14Å; L264-F268 WeakPolarHBondContact O-CB 3.46Å; L264-F268 PolarHBondContact O-N 3.42Å; F268-L271 PolarHBondContact O-N 2.99Å; F268-L272 HydrophobicContact CB-CD1 4.24Å; F268-L272 WeakPolarHBondContact O-CB 3.41Å; F268-L272 VanDerWaalsContact O-CG 3.3Å; F268-L272 WeakPolarHBondContact O-CG 3.47Å; F268-L272 PolarHBondContact O-N 3.44Å
269	G	83.4	Confident	74.7	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-53.2	-59	177.3	0	0	0	0	0	112.6	G265 L271 L272 I273 P289	G265-G269 WeakPolarHBondContact O-CA 3.48Å; G265-G269 PolarHBondContact O-N 3.34Å; G269-L271 PolarHBondContact O-N 2.92Å; G269-L272 PolarHBondContact O-N 2.9Å; G269-I273 PolarHBondContact O-N 3.45Å; G269-P289 WeakPolarHBondContact CA-O 3.39Å
270	P	82.9	Confident	72.6	Confident	70 Å²	70	57.2 Å²	57.2	46%	0.455	33%	0.328	S	S	.	.	H	α-helix	trans	-64.4	-20.1	178.7	-22.2	33.7	0	0	0	114.6	K266 I273	K266-P270 WeakPolarHBondContact O-CD 3.41Å; P270-I273 CarbonylContact C-O 3.51Å
271	L	82.1	Confident	70.6	Confident	21 Å²	21	57.8 Å²	57.8	11%	0.11	35%	0.348	C	S	.	.	H	α-helix	trans	-85.6	-33.7	178.8	-64.6	176.9	0	0	0	112.3	L177 L180 R181 I267 F268 G269	L177-L271 HydrophobicContact CB-CD1 4.25Å; L177-L271 HydrophobicContact CD2-CD1 3.4Å; L177-L271 VanDerWaalsContact CD2-CD1 3.4Å; L177-L271 HydrophobicContact CG-CD1 4.4Å; L180-L271 HydrophobicContact CB-CB 4.29Å; R181-L271 HydrophobicContact CB-CD2 4.06Å; I267-L271 WeakPolarHBondContact O-CD1 3.43Å; F268-L271 PolarHBondContact O-N 2.99Å; G269-L271 PolarHBondContact O-N 2.92Å
272	L	83.1	Confident	68.6	Low	1 Å²	1	64.6 Å²	64.6	1%	0.005	37%	0.369	C	S	.	.	H	α-helix	trans	-86.8	-28.6	179.2	-64.9	176.6	0	0	0	112.3	V187 I188 L240 L243 F268 G269 V293	V187-L272 HydrophobicContact CB-CD2 3.73Å; V187-L272 HydrophobicContact CG1-CD2 4.04Å; V187-L272 HydrophobicContact CG2-CD2 3.83Å; I188-L272 WeakPolarHBondContact CB-O 3.37Å; I188-L272 HydrophobicContact CD1-CB 4.46Å; I188-L272 PolarHBondContact N-O 2.79Å; L240-L272 HydrophobicContact CD1-CD1 4.28Å; L240-L272 HydrophobicContact CD1-CD2 4.44Å; L243-L272 HydrophobicContact CD1-CD2 3.91Å; F268-L272 HydrophobicContact CB-CD1 4.24Å; F268-L272 WeakPolarHBondContact O-CB 3.41Å; F268-L272 VanDerWaalsContact O-CG 3.3Å; F268-L272 WeakPolarHBondContact O-CG 3.47Å; F268-L272 PolarHBondContact O-N 3.44Å; G269-L272 PolarHBondContact O-N 2.9Å; L272-V293 HydrophobicContact CD1-CG2 3.9Å
273	I	82.8	Confident	66.9	Low	1 Å²	1	65.8 Å²	65.8	1%	0.005	39%	0.386	C	S	.	.			trans	-129.2	111.1	-179.1	-63.2	172	0	0	0	108.1	I188 Y193 G269 P270 T275 F288 P289 V292	I188-I273 HydrophobicContact CB-CG1 4.02Å; I188-I273 HydrophobicContact CD1-CD1 4.06Å; I188-I273 HydrophobicContact CD1-CG1 3.89Å; I188-I273 HydrophobicContact CG1-CG1 4.41Å; I188-I273 HydrophobicContact CG2-CG1 4.37Å; Y193-I273 HydrophobicContact CD1-CG2 4.33Å; Y193-I273 HydrophobicContact CE1-CB 4.37Å; Y193-I273 HydrophobicContact CE1-CG1 4.25Å; Y193-I273 HydrophobicContact CE1-CG2 3.72Å; Y193-I273 HydrophobicContact CE2-CG2 4.01Å; G269-I273 PolarHBondContact O-N 3.45Å; P270-I273 CarbonylContact C-O 3.51Å; I273-T275 HydrophobicContact CG2-CG2 4.06Å; I273-F288 HydrophobicContact CD1-CE1 4.5Å; I273-F288 HydrophobicContact CG2-CD1 4.4Å; I273-F288 HydrophobicContact CG2-CE1 4.11Å; I273-P289 HydrophobicContact CB-CB 4.04Å; I273-P289 HydrophobicContact CB-CG 4.38Å; I273-P289 HydrophobicContact CG2-CB 4.2Å; I273-P289 HydrophobicContact CG2-CG 4.02Å; I273-V292 HydrophobicContact CD1-CB 3.75Å; I273-V292 HydrophobicContact CD1-CG1 3.72Å; I273-V292 HydrophobicContact CD1-CG2 4.06Å
274	Q	77.3	Confident	65.3	Low	88 Å²	88	71.5 Å²	71.5	41%	0.411	40%	0.403	S	S	.	.			trans	-94.8	110.4	173.6	-66.5	177.1	4.7	0	0	109.5	P186 Y193	P186-Q274 HydrophobicContact CB-CB 4.38Å; P186-Q274 HydrophobicContact CB-CG 4.2Å; Y193-Q274 WeakPolarHBondContact CE2-O 3.32Å; Y193-Q274 PolarHBondContact OH-N 2.81Å; Y193-Q274 PolarHBondContact OH-O 2.85Å
275	T	65.9	Low	64.1	Low	68 Å²	68	75.3 Å²	75.3	42%	0.417	42%	0.421	S	S	.	.			trans	-98.4	129.2	173.6	49.6	0	0	0	0	110	I273 F288 P289	I273-T275 HydrophobicContact CG2-CG2 4.06Å; T275-F288 HydrophobicContact CG2-CD1 4.39Å; T275-P289 HydrophobicContact CG2-CG 4.11Å
276	S	52.8	Low	63.1	Low	89 Å²	89	83.5 Å²	83.5	62%	0.622	46%	0.459	S	S	*	.			trans	-74.7	132.9	179.9	-173.1	0	0	0	0	110.8	S278	S276-S278 PolarHBondContact O-N 2.87Å; S276-S278 PolarHBondContact OG-OG 3.04Å
277	P	49.9	Very low	62.7	Low	135 Å²	135	82.2 Å²	82.2	88%	0.877	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	18.3	-175.9	28.2	-33.6	0	0	0	115
278	S	43.1	Very low	62.7	Low	101 Å²	101	81.3 Å²	81.3	71%	0.706	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.3	0.6	-167.7	-43.2	0	0	0	0	115.8	S276	S276-S278 PolarHBondContact O-N 2.87Å; S276-S278 PolarHBondContact OG-OG 3.04Å
279	A	38.3	Very low	62.6	Low	58 Å²	58	81.5 Å²	81.5	48%	0.479	45%	0.454	S	S	.	.	S	Bend	trans	-100.2	120.3	178.4	0	0	0	0	0	110.6	G281	A279-G281 PolarHBondContact O-N 3.3Å
280	Q	36.3	Very low	62.6	Low	192 Å²	192	82.4 Å²	82.4	90%	0.897	46%	0.459	S	S	*	.			trans	-70.8	126.3	-178.2	-66.4	171.5	-18	0	0	111.2
281	G	39.8	Very low	62.6	Low	68 Å²	68	80.7 Å²	80.7	70%	0.701	45%	0.446	S	S	*	.	S	Bend	trans	108.6	18.9	131.1	0	0	0	0	0	120.8	A279	A279-G281 PolarHBondContact O-N 3.3Å
282	Y	39.7	Very low	62.7	Low	191 Å²	191	79.7 Å²	79.7	75%	0.749	44%	0.44	S	S	*	.			trans	-131.1	125.7	167.9	-70.6	-81.7	0	0	0	112.4	W284 E285	Y282-W284 PolarHBondContact O-N 2.71Å; Y282-E285 PolarHBondContact O-N 2.72Å
283	S	47.9	Very low	62.8	Low	105 Å²	105	79.7 Å²	79.7	73%	0.734	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-9.9	178.9	175.4	0	0	0	0	115.4
284	W	50.5	Low	62.9	Low	161 Å²	161	81.1 Å²	81.1	61%	0.61	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-11.7	-175.1	-82.6	69.5	0	0	0	114.1	L204 Y282 F288	L204-W284 HydrophobicContact CD1-CH2 3.86Å; L204-W284 HydrophobicContact CD1-CZ3 3.5Å; Y282-W284 PolarHBondContact O-N 2.71Å; W284-F288 PolarHBondContact O-N 2.79Å
285	E	57.8	Low	63.1	Low	81 Å²	81	78.7 Å²	78.7	38%	0.379	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-28.4	-177.8	-72.8	-173.6	163.6	0	0	113.5	Y282	Y282-E285 PolarHBondContact O-N 2.72Å
286	E	62	Low	63.9	Low	171 Å²	171	75.6 Å²	75.6	80%	0.799	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-35	179.7	-67.3	-172.4	167.4	0	0	112.6
287	D	73.7	Confident	65.4	Low	85 Å²	85	71.3 Å²	71.3	46%	0.455	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-11.3	-178.9	-70.3	-36	0	0	0	113.2	I290 L291	D287-I290 WeakPolarHBondContact O-CB 3.2Å; D287-I290 PolarHBondContact O-N 2.98Å; D287-I290 VanDerWaalsContact O-N 3.16Å; D287-L291 HydrophobicContact CB-CD1 4.2Å; D287-L291 HydrophobicContact CB-CG 4.47Å; D287-L291 WeakPolarHBondContact O-CB 3.27Å; D287-L291 VanDerWaalsContact O-CG 3.31Å; D287-L291 WeakPolarHBondContact O-CG 3.47Å; D287-L291 PolarHBondContact O-N 2.84Å
288	F	82	Confident	67	Low	19 Å²	19	67.7 Å²	67.7	8%	0.083	36%	0.36	C	S	.	.	H	α-helix	trans	-56.1	-49.1	-177.4	168.2	-104.9	0	0	0	113.5	Y193 L196 Q197 I273 T275 W284 I290 L291 V292	Y193-F288 HydrophobicContact CG-CE1 4.39Å; L196-F288 HydrophobicContact CB-CE2 4.35Å; L196-F288 HydrophobicContact CB-CZ 4Å; Q197-F288 HydrophobicContact CB-CD2 4.4Å; Q197-F288 HydrophobicContact CB-CE2 3.81Å; Q197-F288 HydrophobicContact CB-CZ 4.29Å; Q197-F288 HydrophobicContact CG-CD2 4.43Å; Q197-F288 HydrophobicContact CG-CE2 4.33Å; I273-F288 HydrophobicContact CD1-CE1 4.5Å; I273-F288 HydrophobicContact CG2-CD1 4.4Å; I273-F288 HydrophobicContact CG2-CE1 4.11Å; T275-F288 HydrophobicContact CG2-CD1 4.39Å; W284-F288 PolarHBondContact O-N 2.79Å; F288-I290 VanDerWaalsContact C-N 3.26Å; F288-I290 PolarHBondContact O-N 3.4Å; F288-L291 PolarHBondContact O-N 2.77Å; F288-V292 HydrophobicContact CD2-CG2 3.96Å; F288-V292 HydrophobicContact CE1-CG2 4.4Å; F288-V292 HydrophobicContact CE2-CG2 3.5Å; F288-V292 VanDerWaalsContact CE2-CG2 3.5Å; F288-V292 HydrophobicContact CZ-CG2 3.76Å; F288-V292 WeakPolarHBondContact O-CG2 3.4Å; F288-V292 PolarHBondContact O-N 2.83Å
289	P	82.8	Confident	68.7	Low	6 Å²	6	63.3 Å²	63.3	4%	0.039	33%	0.329	C	S	.	.	H	α-helix	trans	-59.8	-36.3	177.5	-26.4	37.2	0	0	0	113.5	G269 I273 T275 V293	G269-P289 WeakPolarHBondContact CA-O 3.39Å; I273-P289 HydrophobicContact CB-CB 4.04Å; I273-P289 HydrophobicContact CB-CG 4.38Å; I273-P289 HydrophobicContact CG2-CB 4.2Å; I273-P289 HydrophobicContact CG2-CG 4.02Å; T275-P289 HydrophobicContact CG2-CG 4.11Å; P289-V293 PolarHBondContact O-N 2.9Å
290	I	84.1	Confident	70.4	Confident	20 Å²	20	62.4 Å²	62.4	10%	0.103	31%	0.313	C	S	.	.	H	α-helix	trans	-68.9	-50.2	-178.5	-61	171.1	0	0	0	109.4	K266 D287 F288 V292 V293 E294	K266-I290 HydrophobicContact CG-CD1 3.98Å; K266-I290 HydrophobicContact CG-CG1 4.45Å; K266-I290 HydrophobicContact CG-CG2 4.22Å; D287-I290 WeakPolarHBondContact O-CB 3.2Å; D287-I290 PolarHBondContact O-N 2.98Å; D287-I290 VanDerWaalsContact O-N 3.16Å; F288-I290 VanDerWaalsContact C-N 3.26Å; F288-I290 PolarHBondContact O-N 3.4Å; I290-V292 VanDerWaalsContact C-N 3.34Å; I290-V292 PolarHBondContact O-N 3.06Å; I290-V293 PolarHBondContact O-N 3.26Å; I290-E294 WeakPolarHBondContact CG2-OE1 3.1Å; I290-E294 WeakPolarHBondContact O-CG 3.28Å; I290-E294 PolarHBondContact O-N 2.84Å
291	L	82.9	Confident	72.1	Confident	34 Å²	34	55 Å²	55	18%	0.178	28%	0.281	C	S	.	.	H	α-helix	trans	-61.8	-38.9	-179.9	-70.5	170.2	0	0	0	112.3	V200 L204 D287 F288 R295	V200-L291 HydrophobicContact CG1-CB 4.31Å; L204-L291 HydrophobicContact CD1-CD1 4.42Å; D287-L291 HydrophobicContact CB-CD1 4.2Å; D287-L291 HydrophobicContact CB-CG 4.47Å; D287-L291 WeakPolarHBondContact O-CB 3.27Å; D287-L291 VanDerWaalsContact O-CG 3.31Å; D287-L291 WeakPolarHBondContact O-CG 3.47Å; D287-L291 PolarHBondContact O-N 2.84Å; F288-L291 PolarHBondContact O-N 2.77Å; L291-R295 WeakPolarHBondContact O-CB 3.1Å; L291-R295 WeakPolarHBondContact O-CG 3.43Å; L291-R295 PolarHBondContact O-N 3.48Å
292	V	83.7	Confident	73.4	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62.7	-47.6	177.4	172.9	0	0	0	0	111	V200 V222 I273 F288 I290 R295 L296	V200-V292 HydrophobicContact CG2-CG2 3.91Å; V222-V292 HydrophobicContact CG1-CG1 4.22Å; I273-V292 HydrophobicContact CD1-CB 3.75Å; I273-V292 HydrophobicContact CD1-CG1 3.72Å; I273-V292 HydrophobicContact CD1-CG2 4.06Å; F288-V292 HydrophobicContact CD2-CG2 3.96Å; F288-V292 HydrophobicContact CE1-CG2 4.4Å; F288-V292 HydrophobicContact CE2-CG2 3.5Å; F288-V292 VanDerWaalsContact CE2-CG2 3.5Å; F288-V292 HydrophobicContact CZ-CG2 3.76Å; F288-V292 WeakPolarHBondContact O-CG2 3.4Å; F288-V292 PolarHBondContact O-N 2.83Å; I290-V292 VanDerWaalsContact C-N 3.34Å; I290-V292 PolarHBondContact O-N 3.06Å; V292-R295 PolarHBondContact O-N 3.2Å; V292-L296 HydrophobicContact CG1-CD1 3.89Å; V292-L296 HydrophobicContact CG1-CG 4.43Å; V292-L296 WeakPolarHBondContact O-CB 3.47Å; V292-L296 VanDerWaalsContact O-CG 3.26Å; V292-L296 WeakPolarHBondContact O-CG 3.36Å; V292-L296 PolarHBondContact O-N 3.11Å
293	V	84.8	Confident	74.4	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-66.8	-42.2	-179.6	173.6	0	0	0	0	111.3	L272 P289 I290 R295 L296 L297	L272-V293 HydrophobicContact CD1-CG2 3.9Å; P289-V293 PolarHBondContact O-N 2.9Å; I290-V293 PolarHBondContact O-N 3.26Å; V293-R295 VanDerWaalsContact C-N 3.34Å; V293-R295 PolarHBondContact O-N 3.11Å; V293-L296 PolarHBondContact O-N 3.17Å; V293-L297 HydrophobicContact CG1-CD1 3.93Å; V293-L297 HydrophobicContact CG1-CG 4.38Å; V293-L297 VanDerWaalsContact O-CG 3.28Å; V293-L297 WeakPolarHBondContact O-CG 3.44Å; V293-L297 PolarHBondContact O-N 3.44Å
294	E	84.8	Confident	74.6	Confident	31 Å²	31	49.1 Å²	49.1	15%	0.145	24%	0.239	C	C	.	.	H	α-helix	trans	-56.4	-48.3	174.2	-81.1	172.9	-156.2	0	0	112.3	H262 I290 L297 V298	H262-E294 WeakPolarHBondContact CA-OE1 3.11Å; H262-E294 IonicContact CE1-OE1 3.77Å; H262-E294 IonicContact CG-OE1 3.8Å; H262-E294 IonicContact ND1-OE1 3.41Å; H262-E294 PolarHBondContact ND1-OE1 2.97Å; I290-E294 WeakPolarHBondContact CG2-OE1 3.1Å; I290-E294 WeakPolarHBondContact O-CG 3.28Å; I290-E294 PolarHBondContact O-N 2.84Å; E294-L297 PolarHBondContact O-N 2.83Å; E294-V298 VanDerWaalsContact O-CG2 3.31Å; E294-V298 WeakPolarHBondContact O-CG2 3.39Å; E294-V298 PolarHBondContact O-N 3.37Å
295	R	83.2	Confident	74	Confident	37 Å²	37	47.8 Å²	47.8	14%	0.14	24%	0.244	C	C	.	.	H	α-helix	trans	-62.2	-49.3	179.1	-67.3	-69.2	166.2	173.8	2.2	110.3	V222 L291 V292 V293 L297 V298 E299	V222-R295 HydrophobicContact CG2-CB 4.2Å; L291-R295 WeakPolarHBondContact O-CB 3.1Å; L291-R295 WeakPolarHBondContact O-CG 3.43Å; L291-R295 PolarHBondContact O-N 3.48Å; V292-R295 PolarHBondContact O-N 3.2Å; V293-R295 VanDerWaalsContact C-N 3.34Å; V293-R295 PolarHBondContact O-N 3.11Å; R295-L297 PolarHBondContact O-N 2.96Å; R295-L297 VanDerWaalsContact O-N 3.16Å; R295-V298 PolarHBondContact O-N 3.17Å; R295-E299 WeakPolarHBondContact O-CB 2.83Å; R295-E299 VanDerWaalsContact O-CG 3.23Å; R295-E299 WeakPolarHBondContact O-CG 3.5Å; R295-E299 PolarHBondContact O-N 3.47Å
296	L	82.6	Confident	72.9	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.016	26%	0.262	C	S	.	.	H	α-helix	trans	-56.2	-35.2	176.9	-71.1	171.7	0	0	0	113.2	I188 V222 L226 L244 V292 V293 R300	I188-L296 HydrophobicContact CD1-CD1 4.5Å; V222-L296 HydrophobicContact CB-CD2 4.35Å; V222-L296 HydrophobicContact CG1-CD2 3.83Å; V222-L296 HydrophobicContact CG1-CG 3.99Å; L226-L296 HydrophobicContact CD1-CD1 3.84Å; L226-L296 HydrophobicContact CD1-CD2 3.82Å; L226-L296 HydrophobicContact CD1-CG 4.47Å; L244-L296 HydrophobicContact CD1-CB 4.43Å; L244-L296 HydrophobicContact CD2-CB 4.11Å; V292-L296 HydrophobicContact CG1-CD1 3.89Å; V292-L296 HydrophobicContact CG1-CG 4.43Å; V292-L296 WeakPolarHBondContact O-CB 3.47Å; V292-L296 VanDerWaalsContact O-CG 3.26Å; V292-L296 WeakPolarHBondContact O-CG 3.36Å; V292-L296 PolarHBondContact O-N 3.11Å; V293-L296 PolarHBondContact O-N 3.17Å; L296-R300 WeakPolarHBondContact O-CB 3.36Å; L296-R300 PolarHBondContact O-N 3Å
297	L	83.4	Confident	71.4	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-72.2	-44.2	175.5	-68.7	171.4	0	0	0	111.9	L244 L247 L251 L264 V293 E294 R295 R300 T301	L244-L297 HydrophobicContact CD2-CD2 4.13Å; L247-L297 HydrophobicContact CB-CD2 3.61Å; L247-L297 HydrophobicContact CD1-CD2 4.37Å; L251-L297 HydrophobicContact CD1-CB 3.96Å; L251-L297 HydrophobicContact CD1-CD1 4.12Å; L251-L297 HydrophobicContact CD1-CD2 4.14Å; L251-L297 HydrophobicContact CD1-CG 4.29Å; L264-L297 HydrophobicContact CB-CD1 4.06Å; L264-L297 HydrophobicContact CD1-CD1 4.32Å; V293-L297 HydrophobicContact CG1-CD1 3.93Å; V293-L297 HydrophobicContact CG1-CG 4.38Å; V293-L297 VanDerWaalsContact O-CG 3.28Å; V293-L297 WeakPolarHBondContact O-CG 3.44Å; V293-L297 PolarHBondContact O-N 3.44Å; E294-L297 PolarHBondContact O-N 2.83Å; R295-L297 PolarHBondContact O-N 2.96Å; R295-L297 VanDerWaalsContact O-N 3.16Å; L297-R300 PolarHBondContact O-N 3.34Å; L297-T301 WeakPolarHBondContact O-CG2 3.48Å; L297-T301 PolarHBondContact O-N 2.96Å; L297-T301 PolarHBondContact O-OG1 2.97Å; L297-T301 VanDerWaalsContact O-OG1 3.13Å
298	V	83.1	Confident	69.3	Low	59 Å²	59	50.3 Å²	50.3	36%	0.358	27%	0.269	S	S	.	.	H	α-helix	trans	-63.5	-46.8	177.7	171.5	0	0	0	0	111.8	T261 E294 R295 R300 T301 A302	T261-V298 HydrophobicContact CG2-CG2 4.45Å; E294-V298 VanDerWaalsContact O-CG2 3.31Å; E294-V298 WeakPolarHBondContact O-CG2 3.39Å; E294-V298 PolarHBondContact O-N 3.37Å; R295-V298 PolarHBondContact O-N 3.17Å; V298-R300 PolarHBondContact O-N 3.4Å; V298-T301 WeakPolarHBondContact CA-OG1 3.4Å; V298-T301 PolarHBondContact O-N 3.4Å; V298-T301 PolarHBondContact O-OG1 3.12Å; V298-T301 VanDerWaalsContact O-OG1 3.04Å; V298-A302 WeakPolarHBondContact O-CB 3.47Å; V298-A302 PolarHBondContact O-N 3.34Å
299	E	79.2	Confident	67.1	Low	8 Å²	8	55.4 Å²	55.4	4%	0.037	30%	0.304	C	S	.	.	H	α-helix	trans	-59.9	-29	177.5	-62.7	-168.8	160.7	0	0	111.5	Q203 D219 R220 E221 V222 S223 R295 Q303	Q203-E299 PolarHBondContact NE2-OE1 3.06Å; D219-E299 VanDerWaalsContact O-CD 3.3Å; D219-E299 WeakPolarHBondContact O-CG 3.23Å; R220-E299 VanDerWaalsContact C-OE1 3.27Å; R220-E299 VanDerWaalsContact CA-CD 3.43Å; R220-E299 VanDerWaalsContact CA-OE1 3.26Å; R220-E299 WeakPolarHBondContact CA-OE1 3.11Å; E221-E299 PolarHBondContact N-OE1 3.32Å; V222-E299 PolarHBondContact N-OE1 2.86Å; S223-E299 WeakPolarHBondContact CB-OE2 3.06Å; S223-E299 PolarHBondContact N-OE2 2.66Å; S223-E299 PolarHBondContact OG-OE2 2.98Å; R295-E299 WeakPolarHBondContact O-CB 2.83Å; R295-E299 VanDerWaalsContact O-CG 3.23Å; R295-E299 WeakPolarHBondContact O-CG 3.5Å; R295-E299 PolarHBondContact O-N 3.47Å; E299-Q303 WeakPolarHBondContact O-CG 3.36Å; E299-Q303 PolarHBondContact O-NE2 3.48Å
300	R	74.6	Confident	64.6	Low	40 Å²	40	61.6 Å²	61.6	15%	0.151	34%	0.342	C	S	.	.	H	α-helix	trans	-88.4	-36.6	-179.6	-176.2	-176.6	-93.2	-133.4	3.2	113.3	Q241 L244 T245 T248 L296 L297 V298 A302 Q303	Q241-R300 PolarHBondContact O-NH1 2.78Å; Q241-R300 PolarHBondContact O-NH2 3.11Å; Q241-R300 VanDerWaalsContact O-NH2 3.09Å; L244-R300 PolarHBondContact O-NH1 3.11Å; T245-R300 PolarHBondContact OG1-NH1 3.47Å; T248-R300 WeakPolarHBondContact OG1-CD 3.46Å; L296-R300 WeakPolarHBondContact O-CB 3.36Å; L296-R300 PolarHBondContact O-N 3Å; L297-R300 PolarHBondContact O-N 3.34Å; V298-R300 PolarHBondContact O-N 3.4Å; R300-A302 VanDerWaalsContact C-N 3.34Å; R300-Q303 WeakPolarHBondContact O-CB 3.39Å; R300-Q303 PolarHBondContact O-N 3.2Å
301	T	72.1	Confident	62.2	Low	36 Å²	36	68.4 Å²	68.4	22%	0.221	38%	0.377	C	S	.	.	H	α-helix	trans	-67.6	-37.1	173	48.3	0	0	0	0	111.1	T248 L251 L297 V298 Q303 Q304 D305	T248-T301 HydrophobicContact CG2-CG2 3.98Å; L251-T301 HydrophobicContact CD1-CG2 4.22Å; L297-T301 WeakPolarHBondContact O-CG2 3.48Å; L297-T301 PolarHBondContact O-N 2.96Å; L297-T301 PolarHBondContact O-OG1 2.97Å; L297-T301 VanDerWaalsContact O-OG1 3.13Å; V298-T301 WeakPolarHBondContact CA-OG1 3.4Å; V298-T301 PolarHBondContact O-N 3.4Å; V298-T301 PolarHBondContact O-OG1 3.12Å; V298-T301 VanDerWaalsContact O-OG1 3.04Å; T301-Q303 PolarHBondContact O-N 2.7Å; T301-Q303 VanDerWaalsContact O-N 3.17Å; T301-Q304 WeakPolarHBondContact O-CA 3.33Å; T301-Q304 PolarHBondContact O-N 3.24Å; T301-D305 PolarHBondContact O-N 3.21Å; T301-D305 VanDerWaalsContact O-N 3.1Å
302	A	66.5	Low	59.9	Low	52 Å²	52	72.7 Å²	72.7	43%	0.43	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-25.8	174	0	0	0	0	0	113.2	V298 R300	V298-A302 WeakPolarHBondContact O-CB 3.47Å; V298-A302 PolarHBondContact O-N 3.34Å; R300-A302 VanDerWaalsContact C-N 3.34Å
303	Q	60.1	Low	57.3	Low	97 Å²	97	77.2 Å²	77.2	45%	0.453	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-19.9	172.4	-67.3	171.9	23.3	0	0	113.6	E299 R300 T301	E299-Q303 WeakPolarHBondContact O-CG 3.36Å; E299-Q303 PolarHBondContact O-NE2 3.48Å; R300-Q303 WeakPolarHBondContact O-CB 3.39Å; R300-Q303 PolarHBondContact O-N 3.2Å; T301-Q303 PolarHBondContact O-N 2.7Å; T301-Q303 VanDerWaalsContact O-N 3.17Å
304	Q	52.7	Low	54.7	Low	91 Å²	91	87 Å²	87	43%	0.425	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-21.3	-178.3	-69.1	-170.6	-4.4	0	0	113.8	T248 T301 F306	T248-Q304 VanDerWaalsContact CG2-OE1 3.23Å; T301-Q304 WeakPolarHBondContact O-CA 3.33Å; T301-Q304 PolarHBondContact O-N 3.24Å; Q304-F306 PolarHBondContact O-N 3.28Å
305	D	39.1	Very low	52.2	Low	133 Å²	133	91.5 Å²	91.5	71%	0.711	52%	0.519	S	S	*	.			trans	-74	16.3	-176.7	-84.8	-31.3	0	0	0	115.9	T301 P307	T301-D305 PolarHBondContact O-N 3.21Å; T301-D305 VanDerWaalsContact O-N 3.1Å; D305-P307 VanDerWaalsContact O-CD 3.22Å; D305-P307 WeakPolarHBondContact O-CD 3.37Å
306	F	34.2	Very low	49.6	Very low	174 Å²	174	96.1 Å²	96.1	76%	0.763	55%	0.552	S	S	*	*			trans	-77.5	111.6	164.3	-74	-80	0	0	0	108.9	Q304	Q304-F306 PolarHBondContact O-N 3.28Å
307	P	30.1	Very low	47.2	Very low	105 Å²	105	106.4 Å²	106.4	68%	0.682	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-63.5	151.3	-179.2	26.5	-33.1	0	0	0	110.5	D305	D305-P307 VanDerWaalsContact O-CD 3.22Å; D305-P307 WeakPolarHBondContact O-CD 3.37Å
308	P	30.5	Very low	44.6	Very low	111 Å²	111	111.5 Å²	111.5	72%	0.721	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-58.2	133.9	170.3	24.8	-31.7	0	0	0	108.9	V310	P308-V310 PolarHBondContact O-N 3.03Å
309	P	33.9	Very low	42.4	Very low	126 Å²	126	118.8 Å²	118.8	82%	0.818	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-62.1	116.4	177.9	22.7	-29.9	0	0	0	109.1	L311	P309-L311 PolarHBondContact O-N 2.83Å
310	V	31.5	Very low	40.2	Very low	137 Å²	137	125.9 Å²	125.9	83%	0.83	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-55.4	123.7	165.7	175	0	0	0	0	107.5	P308 P312	P308-V310 PolarHBondContact O-N 3.03Å; V310-P312 WeakPolarHBondContact O-CD 3.11Å
311	L	32.7	Very low	38.2	Very low	162 Å²	162	130 Å²	130	85%	0.848	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-48.8	122.8	176.2	-70.2	162.7	0	0	0	110.9	P309	P309-L311 PolarHBondContact O-N 2.83Å
312	P	35.2	Very low	36.5	Very low	124 Å²	124	134.5 Å²	134.5	81%	0.805	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-70.9	145.4	158.5	6.8	6.9	0	0	0	109.4	V310	V310-P312 WeakPolarHBondContact O-CD 3.11Å
313	A	29.6	Very low	35	Very low	95 Å²	95	137.3 Å²	137.3	79%	0.785	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-56.1	145.1	-176.1	0	0	0	0	0	113.4
314	K	30.5	Very low	33.8	Very low	206 Å²	206	138.6 Å²	138.6	90%	0.896	78%	0.782	S	S	*	*			trans	-40.9	123.9	171.1	-79.7	173.7	173.8	168.8	0	111.9
315	P	32.2	Very low	33.1	Very low	125 Å²	125	140.3 Å²	140.3	81%	0.812	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-76.4	140.8	156.4	14.5	-1.1	0	0	0	109.7
316	T	29	Very low	33	Very low	135 Å²	135	139.6 Å²	139.6	83%	0.828	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-55.8	136.1	-179.2	39.4	0	0	0	0	113.4	S318	T316-S318 PolarHBondContact O-N 3.33Å
317	K	30.7	Very low	33.5	Very low	218 Å²	218	136.8 Å²	136.8	95%	0.948	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-57.6	116.8	170.7	-65.4	178.1	176.7	-178.3	0	110.6
318	S	29.2	Very low	34.5	Very low	108 Å²	108	134.4 Å²	134.4	76%	0.755	77%	0.769	S	S	*	*			trans	-104.3	120.7	158.1	45.5	0	0	0	0	109.3	T316	T316-S318 PolarHBondContact O-N 3.33Å
319	K	36.4	Very low	35.5	Very low	211 Å²	211	132.8 Å²	132.8	92%	0.917	76%	0.76	S	S	*	*			trans	-75.5	121.5	170.2	-97.4	179	169.5	-179.6	0	108.6
320	I	34	Very low	36.5	Very low	158 Å²	158	130 Å²	130	81%	0.81	74%	0.744	S	S	*	*			trans	-141.5	141.8	158.6	-53.7	179.3	0	0	0	109.5
321	T	31.7	Very low	38.1	Very low	127 Å²	127	129 Å²	129	78%	0.779	73%	0.732	S	S	*	*			trans	-70.9	158	-170.9	39.2	0	0	0	0	115.5
322	P	36.6	Very low	40.1	Very low	129 Å²	129	121.7 Å²	121.7	84%	0.838	69%	0.694	S	S	*	*			trans	-92.8	124.9	-178	35.1	-28	0	0	0	112.1
323	S	34.9	Very low	41.8	Very low	111 Å²	111	120 Å²	120	78%	0.776	68%	0.679	S	S	*	*			trans	-174.6	84.1	163.3	167.8	0	0	0	0	110.3
324	D	34.5	Very low	44	Very low	125 Å²	125	121.2 Å²	121.2	67%	0.668	67%	0.672	S	S	*	*			trans	-179.9	112.9	142.2	-113.2	-22.4	0	0	0	109.2
325	M	38.5	Very low	46.3	Very low	126 Å²	126	112 Å²	112	62%	0.621	63%	0.634	S	S	*	*			trans	-126.2	15.6	-177.8	-124.7	-162.6	176.2	0	0	113.9
326	T	37.9	Very low	48.6	Very low	119 Å²	119	109.1 Å²	109.1	73%	0.73	61%	0.61	S	S	*	*	S	Bend	trans	-115.8	-15.2	-171.3	5.1	0	0	0	0	115.7
327	D	44.1	Very low	51.3	Low	115 Å²	115	103 Å²	103	62%	0.615	57%	0.571	S	S	*	*	S	Bend	trans	-99.6	-6.4	-174.1	-81.5	-14.4	0	0	0	115.4	S330	D327-S330 PolarHBondContact O-OG 3.44Å; D327-S330 VanDerWaalsContact O-OG 3.14Å
328	T	50.3	Low	54	Low	55 Å²	55	93.6 Å²	93.6	34%	0.337	53%	0.53	S	S	.	.	H	α-helix	trans	-84.5	-21	-174.3	41	0	0	0	0	115
329	S	52.6	Low	56.6	Low	77 Å²	77	90.5 Å²	90.5	54%	0.538	50%	0.502	S	S	.	.	H	α-helix	trans	-77.3	-28	-174.4	-53	0	0	0	0	113.3	N333	S329-N333 PolarHBondContact O-N 3.15Å; S329-N333 PolarHBondContact O-ND2 2.93Å
330	S	55.1	Low	58.8	Low	68 Å²	68	81 Å²	81	48%	0.476	46%	0.464	S	S	.	.	H	α-helix	trans	-69.5	-43	176.9	48	0	0	0	0	112	D327 L332 N333 D334	D327-S330 PolarHBondContact O-OG 3.44Å; D327-S330 VanDerWaalsContact O-OG 3.14Å; S330-L332 VanDerWaalsContact C-N 3.32Å; S330-L332 PolarHBondContact O-N 3.28Å; S330-N333 PolarHBondContact O-N 3.28Å; S330-D334 PolarHBondContact O-N 2.79Å; S330-D334 VanDerWaalsContact O-N 3.16Å
331	L	64.4	Low	61	Low	114 Å²	114	80.5 Å²	80.5	60%	0.597	46%	0.463	S	S	*	.	H	α-helix	trans	-66.9	-29.9	179.9	-69	169.2	0	0	0	113.7	A335	L331-A335 PolarHBondContact O-N 3.35Å
332	L	75.4	Confident	63.3	Low	9 Å²	9	75.4 Å²	75.4	5%	0.047	43%	0.43	C	S	.	.	H	α-helix	trans	-72.1	-43.6	175.2	-177.6	62.5	0	0	0	111.4	S330 D334 A335 W337 Y338 Y372 V405 V406	S330-L332 VanDerWaalsContact C-N 3.32Å; S330-L332 PolarHBondContact O-N 3.28Å; L332-D334 PolarHBondContact O-N 3.34Å; L332-A335 VanDerWaalsContact O-CB 3.3Å; L332-A335 WeakPolarHBondContact O-CB 3.49Å; L332-A335 PolarHBondContact O-N 2.89Å; L332-A335 VanDerWaalsContact O-N 3.14Å; L332-W337 HydrophobicContact CD1-CH2 3.68Å; L332-W337 HydrophobicContact CD1-CZ3 3.92Å; L332-Y338 HydrophobicContact CD1-CD2 4.06Å; L332-Y338 HydrophobicContact CD1-CG 4.3Å; L332-Y338 HydrophobicContact CD2-CE2 4.21Å; L332-Y338 HydrophobicContact CG-CD2 4.13Å; L332-Y338 HydrophobicContact CG-CE2 4.19Å; L332-Y338 HydrophobicContact CG-CG 4.28Å; L332-Y338 WeakPolarHBondContact O-CD1 3.24Å; L332-Y372 HydrophobicContact CD2-CE1 3.79Å; L332-Y372 HydrophobicContact CD2-CE2 4.06Å; L332-Y372 VanDerWaalsContact CD2-CZ 3.47Å; L332-Y372 WeakPolarHBondContact CD2-OH 3.42Å; L332-V405 HydrophobicContact CD1-CB 3.94Å; L332-V405 HydrophobicContact CD1-CG1 3.97Å; L332-V405 HydrophobicContact CD2-CB 4.47Å; L332-V405 HydrophobicContact CD2-CG2 4.5Å; L332-V406 HydrophobicContact CB-CG2 4.3Å; L332-V406 HydrophobicContact CD1-CG2 4.06Å
333	N	70.8	Confident	65.4	Low	90 Å²	90	71.2 Å²	71.2	48%	0.481	41%	0.405	S	S	.	.	H	α-helix	trans	-65.7	-25.3	177.8	-77.8	-23.4	0	0	0	112.8	S329 S330 Y338 K434	S329-N333 PolarHBondContact O-N 3.15Å; S329-N333 PolarHBondContact O-ND2 2.93Å; S330-N333 PolarHBondContact O-N 3.28Å; N333-Y338 VanDerWaalsContact OD1-CE1 3.28Å; N333-Y338 WeakPolarHBondContact OD1-CE1 3.35Å; N333-K434 PolarHBondContact O-NZ 3.39Å
334	D	74.3	Confident	67.5	Low	119 Å²	119	72.3 Å²	72.3	64%	0.636	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-10.6	175.8	-75.2	-14.8	0	0	0	113.6	S330 L332	S330-D334 PolarHBondContact O-N 2.79Å; S330-D334 VanDerWaalsContact O-N 3.16Å; L332-D334 PolarHBondContact O-N 3.34Å
335	A	79.8	Confident	69.7	Low	12 Å²	12	72.6 Å²	72.6	10%	0.099	39%	0.389	C	S	.	.			trans	-65.7	138.2	-178.4	0	0	0	0	0	112.4	L331 L332 W337 Y338 K434	L331-A335 PolarHBondContact O-N 3.35Å; L332-A335 VanDerWaalsContact O-CB 3.3Å; L332-A335 WeakPolarHBondContact O-CB 3.49Å; L332-A335 PolarHBondContact O-N 2.89Å; L332-A335 VanDerWaalsContact O-N 3.14Å; A335-W337 VanDerWaalsContact C-N 3.33Å; A335-W337 HydrophobicContact CB-CD2 4.15Å; A335-W337 HydrophobicContact CB-CH2 4.2Å; A335-W337 HydrophobicContact CB-CZ2 3.77Å; A335-W337 PolarHBondContact O-N 3.48Å; A335-Y338 PolarHBondContact O-N 2.92Å; A335-K434 VanDerWaalsContact O-CE 3.28Å; A335-K434 WeakPolarHBondContact O-CE 3.34Å; A335-K434 PolarHBondContact O-NZ 3.02Å; A335-K434 VanDerWaalsContact O-NZ 3.12Å
336	E	80	Confident	71.7	Confident	66 Å²	66	71.2 Å²	71.2	31%	0.308	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-35.4	-178.2	63.3	-177.3	169.3	0	0	113	R413 P431 S433 K434 F435	E336-R413 IonicContact OE1-NH1 2.83Å; E336-R413 IonicContact OE1-NH2 2.99Å; E336-P431 HydrophobicContact CG-CB 4.27Å; E336-P431 WeakPolarHBondContact OE1-CG 3.32Å; E336-S433 CarbonylContact O-C 3.57Å; E336-S433 VanDerWaalsContact O-CA 3.27Å; E336-S433 WeakPolarHBondContact O-CA 3.39Å; E336-K434 PolarHBondContact O-N 2.99Å; E336-F435 HydrophobicContact CB-CD2 4.07Å; E336-F435 HydrophobicContact CB-CE2 4.31Å
337	W	86	Confident	73.9	Confident	6 Å²	6	65.6 Å²	65.6	2%	0.023	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-1.9	-174.9	45.4	-99.4	0	0	0	113.5	L332 A335 F359 V361 V405 V406 I409 P431	L332-W337 HydrophobicContact CD1-CH2 3.68Å; L332-W337 HydrophobicContact CD1-CZ3 3.92Å; A335-W337 VanDerWaalsContact C-N 3.33Å; A335-W337 HydrophobicContact CB-CD2 4.15Å; A335-W337 HydrophobicContact CB-CH2 4.2Å; A335-W337 HydrophobicContact CB-CZ2 3.77Å; A335-W337 PolarHBondContact O-N 3.48Å; W337-F359 HydrophobicContact CB-CD2 4.44Å; W337-F359 HydrophobicContact CB-CE2 3.81Å; W337-F359 HydrophobicContact CB-CZ 4.35Å; W337-F359 HydrophobicContact CD2-CE2 4.31Å; W337-F359 AromaticContact CG-CE2 3.82Å; W337-F359 HydrophobicContact CG-CE2 3.82Å; W337-F359 HydrophobicContact CG-CZ 4.32Å; W337-V361 HydrophobicContact CE3-CB 3.61Å; W337-V361 HydrophobicContact CE3-CG2 3.4Å; W337-V361 VanDerWaalsContact CE3-CG2 3.4Å; W337-V361 HydrophobicContact CZ3-CB 3.65Å; W337-V361 HydrophobicContact CZ3-CG1 4.2Å; W337-V361 HydrophobicContact CZ3-CG2 3.47Å; W337-V361 VanDerWaalsContact CZ3-CG2 3.47Å; W337-V361 PolarHBondContact O-N 2.78Å; W337-V405 HydrophobicContact CH2-CG1 4.07Å; W337-V405 HydrophobicContact CZ3-CG1 4.25Å; W337-V406 HydrophobicContact CH2-CG2 4.24Å; W337-V406 HydrophobicContact CZ2-CB 4.41Å; W337-V406 HydrophobicContact CZ2-CG1 4.45Å; W337-V406 HydrophobicContact CZ2-CG2 4.19Å; W337-I409 HydrophobicContact CD2-CG2 4.1Å; W337-I409 HydrophobicContact CE3-CG1 4.32Å; W337-I409 HydrophobicContact CH2-CB 4.02Å; W337-I409 HydrophobicContact CH2-CG1 3.64Å; W337-I409 HydrophobicContact CH2-CG2 4.41Å; W337-I409 HydrophobicContact CZ2-CB 3.8Å; W337-I409 HydrophobicContact CZ2-CG1 3.96Å; W337-I409 HydrophobicContact CZ2-CG2 3.89Å; W337-I409 HydrophobicContact CZ3-CG1 3.84Å; W337-P431 HydrophobicContact CB-CB 3.89Å; W337-P431 HydrophobicContact CG-CB 4.48Å
338	Y	88.2	Confident	75.8	Confident	21 Å²	21	62.5 Å²	62.5	8%	0.082	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-93.9	117.3	179.3	179.6	-105.8	0	0	0	110.4	L332 N333 A335 V361 D363 Y372	L332-Y338 HydrophobicContact CD1-CD2 4.06Å; L332-Y338 HydrophobicContact CD1-CG 4.3Å; L332-Y338 HydrophobicContact CD2-CE2 4.21Å; L332-Y338 HydrophobicContact CG-CD2 4.13Å; L332-Y338 HydrophobicContact CG-CE2 4.19Å; L332-Y338 HydrophobicContact CG-CG 4.28Å; L332-Y338 WeakPolarHBondContact O-CD1 3.24Å; N333-Y338 VanDerWaalsContact OD1-CE1 3.28Å; N333-Y338 WeakPolarHBondContact OD1-CE1 3.35Å; A335-Y338 PolarHBondContact O-N 2.92Å; Y338-V361 HydrophobicContact CD2-CB 4.41Å; Y338-V361 HydrophobicContact CD2-CG1 4.19Å; Y338-D363 PolarHBondContact OH-OD1 3.04Å; Y338-Y372 AromaticContact CE2-CD1 3.9Å; Y338-Y372 HydrophobicContact CE2-CD1 3.9Å; Y338-Y372 AromaticContact CE2-CE1 3.78Å; Y338-Y372 HydrophobicContact CE2-CE1 3.78Å
339	W	82.3	Confident	77.4	Confident	42 Å²	42	66 Å²	66	16%	0.159	34%	0.342	C	S	.	.			trans	-108.5	4.6	-174	-77	77.5	0	0	0	114	I342 K350 V361 I432 K434	W339-I342 HydrophobicContact CB-CB 4.19Å; W339-I342 HydrophobicContact CB-CD1 4.42Å; W339-I342 HydrophobicContact CB-CG2 3.62Å; W339-I342 HydrophobicContact CD2-CD1 4.28Å; W339-I342 HydrophobicContact CE3-CD1 3.81Å; W339-K350 HydrophobicContact CH2-CD 3.87Å; W339-K350 VanDerWaalsContact CH2-CE 3.47Å; W339-K350 HydrophobicContact CZ2-CD 4.08Å; W339-K350 HydrophobicContact CZ3-CD 4.12Å; W339-K350 VanDerWaalsContact CZ3-CE 3.43Å; W339-V361 PolarHBondContact N-O 3.06Å; W339-I432 HydrophobicContact CZ2-CG2 3.71Å; W339-I432 PolarHBondContact NE1-O 3.3Å; W339-K434 HydrophobicContact CD2-CB 4.37Å; W339-K434 HydrophobicContact CH2-CB 4.43Å; W339-K434 VanDerWaalsContact CZ2-CA 3.46Å; W339-K434 HydrophobicContact CZ2-CB 4.11Å
340	G	83.6	Confident	78.7	Confident	11 Å²	11	65 Å²	65	11%	0.113	33%	0.328	C	S	.	.	S	Bend	trans	61.2	-134.2	178.7	0	0	0	0	0	113.2	I342 R362 D363	G340-I342 PolarHBondContact O-N 3.4Å; G340-R362 CarbonylContact O-C 3.24Å; G340-R362 WeakPolarHBondContact O-CA 3.44Å; G340-R362 WeakPolarHBondContact O-CB 3.49Å; G340-D363 PolarHBondContact O-N 2.81Å
341	D	79.3	Confident	80	Confident	149 Å²	149	61.7 Å²	61.7	80%	0.797	31%	0.306	S	S	*	.	S	Bend	trans	-79.7	31.1	-173.4	64.9	-27.5	0	0	0	114.8	D363	D341-D363 PolarHBondContact N-OD2 2.89Å
342	I	80.8	Confident	80.8	Confident	19 Å²	19	63.8 Å²	63.8	10%	0.097	31%	0.305	C	S	.	.			trans	-65	139.8	177.3	-167.9	172.5	0	0	0	112.4	W339 G340 E346 V347 K350 R362	W339-I342 HydrophobicContact CB-CB 4.19Å; W339-I342 HydrophobicContact CB-CD1 4.42Å; W339-I342 HydrophobicContact CB-CG2 3.62Å; W339-I342 HydrophobicContact CD2-CD1 4.28Å; W339-I342 HydrophobicContact CE3-CD1 3.81Å; G340-I342 PolarHBondContact O-N 3.4Å; I342-E346 HydrophobicContact CD1-CB 3.89Å; I342-E346 HydrophobicContact CG1-CB 3.73Å; I342-E346 VanDerWaalsContact CG1-OE2 3.31Å; I342-E346 WeakPolarHBondContact CG1-OE2 3.4Å; I342-V347 HydrophobicContact CB-CG2 4.43Å; I342-V347 HydrophobicContact CD1-CG2 4.02Å; I342-V347 HydrophobicContact CG1-CG2 4.1Å; I342-V347 HydrophobicContact CG2-CG2 3.57Å; I342-K350 HydrophobicContact CD1-CD 4.37Å; I342-R362 HydrophobicContact CG2-CB 3.47Å; I342-R362 VanDerWaalsContact CG2-CB 3.47Å; I342-R362 HydrophobicContact CG2-CG 4.43Å; I342-R362 WeakPolarHBondContact O-CD 3.43Å
343	S	81.1	Confident	81	Confident	42 Å²	42	69.8 Å²	69.8	29%	0.294	34%	0.337	S	S	.	.			trans	-70.5	159.7	-179.2	68.3	0	0	0	0	112.8	E345 E346 V347	S343-E345 PolarHBondContact O-N 3.04Å; S343-E346 WeakPolarHBondContact CB-OE2 3.34Å; S343-E346 PolarHBondContact N-OE2 3.28Å; S343-E346 WeakPolarHBondContact OG-CB 3.43Å; S343-E346 WeakPolarHBondContact OG-CG 3.35Å; S343-E346 PolarHBondContact OG-N 3.42Å; S343-E346 PolarHBondContact OG-OE2 3.34Å; S343-V347 WeakPolarHBondContact O-CG2 3.45Å; S343-V347 PolarHBondContact O-N 3.01Å
344	R	78.3	Confident	81.5	Confident	134 Å²	134	67 Å²	67	51%	0.506	32%	0.324	S	S	.	.	H	α-helix	trans	-64.3	-36	177.9	-179.7	-177.2	179.4	-173.3	-2.9	111.1	V347 N348	R344-V347 PolarHBondContact O-N 3.08Å; R344-N348 PolarHBondContact O-N 2.83Å; R344-N348 PolarHBondContact O-ND2 3Å
345	E	80.7	Confident	82	Confident	130 Å²	130	64.9 Å²	64.9	61%	0.607	32%	0.316	S	S	*	.	H	α-helix	trans	-65.3	-48.7	-178	-66.3	63.5	-138.4	0	0	110.3	S343 V347 N348 E349	S343-E345 PolarHBondContact O-N 3.04Å; E345-V347 VanDerWaalsContact C-N 3.35Å; E345-V347 PolarHBondContact O-N 2.67Å; E345-N348 WeakPolarHBondContact O-CB 3.24Å; E345-N348 PolarHBondContact O-N 3.45Å; E345-E349 PolarHBondContact O-N 3.13Å
346	E	80.4	Confident	82.2	Confident	97 Å²	97	67.7 Å²	67.7	45%	0.453	33%	0.33	S	S	.	.	H	α-helix	trans	-64.3	-38.3	177.3	-70.5	165.6	139.1	0	0	112.3	I342 S343 E349 K350	I342-E346 HydrophobicContact CD1-CB 3.89Å; I342-E346 HydrophobicContact CG1-CB 3.73Å; I342-E346 VanDerWaalsContact CG1-OE2 3.31Å; I342-E346 WeakPolarHBondContact CG1-OE2 3.4Å; S343-E346 WeakPolarHBondContact CB-OE2 3.34Å; S343-E346 PolarHBondContact N-OE2 3.28Å; S343-E346 WeakPolarHBondContact OG-CB 3.43Å; S343-E346 WeakPolarHBondContact OG-CG 3.35Å; S343-E346 PolarHBondContact OG-N 3.42Å; S343-E346 PolarHBondContact OG-OE2 3.34Å; E346-E349 PolarHBondContact O-N 3.32Å; E346-K350 WeakPolarHBondContact O-CG 3.44Å; E346-K350 PolarHBondContact O-N 2.96Å
347	V	84.9	Confident	82.4	Confident	2 Å²	2	64.5 Å²	64.5	1%	0.012	32%	0.315	C	S	.	.	H	α-helix	trans	-62.8	-42.7	174.7	165.9	0	0	0	0	111.5	I342 S343 R344 E345 E349 K350 L351 L360 T375	I342-V347 HydrophobicContact CB-CG2 4.43Å; I342-V347 HydrophobicContact CD1-CG2 4.02Å; I342-V347 HydrophobicContact CG1-CG2 4.1Å; I342-V347 HydrophobicContact CG2-CG2 3.57Å; S343-V347 WeakPolarHBondContact O-CG2 3.45Å; S343-V347 PolarHBondContact O-N 3.01Å; R344-V347 PolarHBondContact O-N 3.08Å; E345-V347 VanDerWaalsContact C-N 3.35Å; E345-V347 PolarHBondContact O-N 2.67Å; V347-E349 VanDerWaalsContact C-N 3.28Å; V347-E349 PolarHBondContact O-N 2.91Å; V347-K350 PolarHBondContact O-N 3.37Å; V347-L351 HydrophobicContact CG1-CD1 3.73Å; V347-L351 WeakPolarHBondContact O-CB 3.46Å; V347-L351 PolarHBondContact O-N 3.16Å; V347-L360 HydrophobicContact CB-CD1 4.38Å; V347-L360 HydrophobicContact CB-CD2 4.44Å; V347-L360 HydrophobicContact CG1-CD1 3.92Å; V347-L360 HydrophobicContact CG1-CD2 4.04Å; V347-L360 HydrophobicContact CG1-CG 4.19Å; V347-L360 HydrophobicContact CG2-CD1 3.56Å; V347-L360 HydrophobicContact CG2-CD2 4.08Å; V347-L360 HydrophobicContact CG2-CG 4.41Å; V347-T375 HydrophobicContact CG1-CG2 3.81Å
348	N	84.5	Confident	82.5	Confident	49 Å²	49	64.6 Å²	64.6	26%	0.262	32%	0.316	S	S	.	.	H	α-helix	trans	-64.2	-35.2	175.9	-76.9	-30.3	0	0	0	112.3	R344 E345 R352 N382	R344-N348 PolarHBondContact O-N 2.83Å; R344-N348 PolarHBondContact O-ND2 3Å; E345-N348 WeakPolarHBondContact O-CB 3.24Å; E345-N348 PolarHBondContact O-N 3.45Å; N348-R352 PolarHBondContact O-N 2.92Å; N348-N382 PolarHBondContact OD1-ND2 3.36Å
349	E	81.9	Confident	82.7	Confident	128 Å²	128	63.6 Å²	63.6	60%	0.598	31%	0.312	S	S	*	.	H	α-helix	trans	-68.5	-45.2	176.1	-161.1	-177.6	147.1	0	0	111.7	E345 E346 V347 L351 R352	E345-E349 PolarHBondContact O-N 3.13Å; E346-E349 PolarHBondContact O-N 3.32Å; V347-E349 VanDerWaalsContact C-N 3.28Å; V347-E349 PolarHBondContact O-N 2.91Å; E349-L351 VanDerWaalsContact C-N 3.31Å; E349-L351 PolarHBondContact O-N 3.02Å; E349-R352 VanDerWaalsContact O-CB 3.25Å; E349-R352 WeakPolarHBondContact O-CB 3.42Å; E349-R352 PolarHBondContact O-N 3.38Å; E349-R352 VanDerWaalsContact O-N 3.13Å
350	K	80.7	Confident	83.1	Confident	56 Å²	56	61.6 Å²	61.6	24%	0.243	31%	0.305	C	S	.	.	H	α-helix	trans	-66.3	-32.3	177.2	-72.2	-169.1	-174.8	-62.7	0	113.4	W339 I342 E346 V347 R352 I432	W339-K350 HydrophobicContact CH2-CD 3.87Å; W339-K350 VanDerWaalsContact CH2-CE 3.47Å; W339-K350 HydrophobicContact CZ2-CD 4.08Å; W339-K350 HydrophobicContact CZ3-CD 4.12Å; W339-K350 VanDerWaalsContact CZ3-CE 3.43Å; I342-K350 HydrophobicContact CD1-CD 4.37Å; E346-K350 WeakPolarHBondContact O-CG 3.44Å; E346-K350 PolarHBondContact O-N 2.96Å; V347-K350 PolarHBondContact O-N 3.37Å; K350-R352 VanDerWaalsContact C-N 3.32Å; K350-I432 HydrophobicContact CB-CD1 4.26Å
351	L	82.6	Confident	83.4	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	11.7	175.1	-71.8	167.5	0	0	0	112.8	V347 E349 T354 T358 L360 T375 R377 I432	V347-L351 HydrophobicContact CG1-CD1 3.73Å; V347-L351 WeakPolarHBondContact O-CB 3.46Å; V347-L351 PolarHBondContact O-N 3.16Å; E349-L351 VanDerWaalsContact C-N 3.31Å; E349-L351 PolarHBondContact O-N 3.02Å; L351-T354 PolarHBondContact O-OG1 3.12Å; L351-T358 HydrophobicContact CD2-CG2 3.57Å; L351-L360 HydrophobicContact CD1-CD2 4.42Å; L351-L360 HydrophobicContact CG-CD2 4.42Å; L351-T375 HydrophobicContact CD1-CG2 3.4Å; L351-T375 VanDerWaalsContact CD1-CG2 3.4Å; L351-R377 HydrophobicContact CD2-CB 4.41Å; L351-R377 PolarHBondContact O-NH1 3.14Å; L351-I432 HydrophobicContact CD2-CD1 3.41Å; L351-I432 VanDerWaalsContact CD2-CD1 3.41Å; L351-I432 HydrophobicContact CD2-CG1 4.37Å; L351-I432 HydrophobicContact CG-CD1 3.81Å
352	R	80.8	Confident	83.9	Confident	157 Å²	157	54.5 Å²	54.5	59%	0.592	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	140.9	175.7	-165.2	-173.3	-59	-89.3	-1.6	110.9	N348 E349 K350 T354	N348-R352 PolarHBondContact O-N 2.92Å; E349-R352 VanDerWaalsContact O-CB 3.25Å; E349-R352 WeakPolarHBondContact O-CB 3.42Å; E349-R352 PolarHBondContact O-N 3.38Å; E349-R352 VanDerWaalsContact O-N 3.13Å; K350-R352 VanDerWaalsContact C-N 3.32Å; R352-T354 PolarHBondContact O-N 3.26Å
353	D	79.6	Confident	84.1	Confident	135 Å²	135	56.1 Å²	56.1	72%	0.722	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.7	26.9	-174.3	-49.3	-39.4	0	0	0	117.7	R377	D353-R377 VanDerWaalsContact CA-NH1 3.33Å
354	T	82.7	Confident	84	Confident	33 Å²	33	55 Å²	55	20%	0.202	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-87.3	157.1	172.7	52.1	0	0	0	0	112.4	L351 R352 T358 R377	L351-T354 PolarHBondContact O-OG1 3.12Å; R352-T354 PolarHBondContact O-N 3.26Å; T354-T358 HydrophobicContact CG2-CG2 4.27Å; T354-R377 WeakPolarHBondContact O-CD 3.23Å; T354-R377 PolarHBondContact O-NE 3.35Å; T354-R377 PolarHBondContact O-NH1 3.01Å; T354-R377 WeakPolarHBondContact OG1-CD 3.23Å; T354-R377 PolarHBondContact OG1-NH1 3.38Å
355	P	83.5	Confident	83.7	Confident	73 Å²	73	53.6 Å²	53.6	47%	0.474	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-69.2	163	176.2	28.4	-34.8	0	0	0	112.6	T358 Y430	P355-T358 WeakPolarHBondContact O-CB 3.36Å; P355-T358 PolarHBondContact O-N 3.1Å; P355-T358 PolarHBondContact O-OG1 3.03Å; P355-Y430 HydrophobicContact CB-CE2 4.27Å; P355-Y430 HydrophobicContact CG-CD2 3.9Å; P355-Y430 HydrophobicContact CG-CE2 3.99Å
356	D	85.1	Confident	82.9	Confident	71 Å²	71	50 Å²	50	38%	0.38	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	141.5	172.9	-78.6	6.9	0	0	0	110.9	G379 G380	D356-G379 PolarHBondContact OD1-N 2.78Å; D356-G379 WeakPolarHBondContact OD2-CA 3.19Å; D356-G379 PolarHBondContact OD2-N 2.82Å; D356-G380 PolarHBondContact OD1-N 3.1Å
357	G	82.6	Confident	81.8	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.1	-0.4	-173.6	0	0	0	0	0	114.5	R377 L429 Y430	G357-R377 PolarHBondContact N-O 2.9Å; G357-L429 PolarHBondContact O-N 2.9Å; G357-Y430 PolarHBondContact O-N 3.39Å
358	T	89.3	Confident	80.5	Confident	7 Å²	7	60.8 Å²	60.8	4%	0.043	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	131.4	171.1	-54.9	0	0	0	0	111.6	L351 T354 P355 R377 Y430 I432	L351-T358 HydrophobicContact CD2-CG2 3.57Å; T354-T358 HydrophobicContact CG2-CG2 4.27Å; P355-T358 WeakPolarHBondContact O-CB 3.36Å; P355-T358 PolarHBondContact O-N 3.1Å; P355-T358 PolarHBondContact O-OG1 3.03Å; T358-R377 PolarHBondContact O-N 2.93Å; T358-Y430 VanDerWaalsContact CA-O 3.26Å; T358-Y430 WeakPolarHBondContact CA-O 3.36Å; T358-I432 HydrophobicContact CG2-CD1 3.57Å; T358-I432 HydrophobicContact CG2-CG1 3.38Å
359	F	91.4	Very high	79.1	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	158.6	-174.4	75.7	-81.2	0	0	0	114.3	W337 L374 T375 L376 I409 R413 L428 Y430 P431 I432	W337-F359 HydrophobicContact CB-CD2 4.44Å; W337-F359 HydrophobicContact CB-CE2 3.81Å; W337-F359 HydrophobicContact CB-CZ 4.35Å; W337-F359 HydrophobicContact CD2-CE2 4.31Å; W337-F359 AromaticContact CG-CE2 3.82Å; W337-F359 HydrophobicContact CG-CE2 3.82Å; W337-F359 HydrophobicContact CG-CZ 4.32Å; F359-L374 HydrophobicContact CB-CD1 4.11Å; F359-L374 HydrophobicContact CD2-CD1 3.8Å; F359-L374 HydrophobicContact CG-CD1 4.38Å; F359-T375 WeakPolarHBondContact CA-O 3.16Å; F359-L376 HydrophobicContact CB-CD1 4.03Å; F359-I409 HydrophobicContact CE2-CG2 3.61Å; F359-I409 HydrophobicContact CZ-CG2 4.02Å; F359-R413 HydrophobicContact CZ-CG 4.37Å; F359-L428 HydrophobicContact CB-CD2 3.85Å; F359-L428 HydrophobicContact CD1-CB 3.69Å; F359-L428 HydrophobicContact CD1-CD2 4.02Å; F359-L428 HydrophobicContact CD1-CG 4.38Å; F359-L428 HydrophobicContact CD2-CB 4.47Å; F359-L428 HydrophobicContact CD2-CD1 4.29Å; F359-L428 HydrophobicContact CD2-CD2 4.15Å; F359-L428 HydrophobicContact CE1-CB 3.54Å; F359-L428 HydrophobicContact CE2-CB 4.35Å; F359-L428 HydrophobicContact CE2-CD1 4.26Å; F359-L428 HydrophobicContact CG-CB 4.16Å; F359-L428 HydrophobicContact CG-CD2 3.74Å; F359-L428 HydrophobicContact CG-CG 4.39Å; F359-L428 HydrophobicContact CZ-CB 3.89Å; F359-Y430 PolarHBondContact N-O 2.79Å; F359-P431 HydrophobicContact CE1-CB 3.81Å; F359-P431 HydrophobicContact CE1-CG 4.41Å; F359-P431 HydrophobicContact CE2-CB 4.4Å; F359-P431 HydrophobicContact CZ-CB 3.69Å; F359-I432 PolarHBondContact O-N 3.05Å
360	L	90.5	Very high	78.1	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	158.5	167.2	66.6	86	0	0	0	111	V347 L351 R362 T375 I432	V347-L360 HydrophobicContact CB-CD1 4.38Å; V347-L360 HydrophobicContact CB-CD2 4.44Å; V347-L360 HydrophobicContact CG1-CD1 3.92Å; V347-L360 HydrophobicContact CG1-CD2 4.04Å; V347-L360 HydrophobicContact CG1-CG 4.19Å; V347-L360 HydrophobicContact CG2-CD1 3.56Å; V347-L360 HydrophobicContact CG2-CD2 4.08Å; V347-L360 HydrophobicContact CG2-CG 4.41Å; L351-L360 HydrophobicContact CD1-CD2 4.42Å; L351-L360 HydrophobicContact CG-CD2 4.42Å; L360-R362 HydrophobicContact CD1-CB 4.43Å; L360-T375 PolarHBondContact N-O 2.81Å; L360-T375 PolarHBondContact O-N 3.41Å; L360-I432 HydrophobicContact CB-CB 4.3Å; L360-I432 HydrophobicContact CD2-CB 4.4Å; L360-I432 HydrophobicContact CD2-CD1 4.12Å
361	V	90.9	Very high	77.8	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	136	174.9	-178.2	0	0	0	0	109.8	W337 Y338 W339 L374 I387 I409	W337-V361 HydrophobicContact CE3-CB 3.61Å; W337-V361 HydrophobicContact CE3-CG2 3.4Å; W337-V361 VanDerWaalsContact CE3-CG2 3.4Å; W337-V361 HydrophobicContact CZ3-CB 3.65Å; W337-V361 HydrophobicContact CZ3-CG1 4.2Å; W337-V361 HydrophobicContact CZ3-CG2 3.47Å; W337-V361 VanDerWaalsContact CZ3-CG2 3.47Å; W337-V361 PolarHBondContact O-N 2.78Å; Y338-V361 HydrophobicContact CD2-CB 4.41Å; Y338-V361 HydrophobicContact CD2-CG1 4.19Å; W339-V361 PolarHBondContact N-O 3.06Å; V361-L374 HydrophobicContact CG2-CB 4.31Å; V361-L374 HydrophobicContact CG2-CD1 3.71Å; V361-I387 HydrophobicContact CG1-CD1 4.26Å; V361-I409 HydrophobicContact CG2-CD1 3.85Å; V361-I409 HydrophobicContact CG2-CG1 4.14Å
362	R	88.8	Confident	78	Confident	12 Å²	12	63.4 Å²	63.4	5%	0.045	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	167.5	176.4	66.1	169.1	178.6	95.2	-6	111.2	G340 I342 L360 S365 T373	G340-R362 CarbonylContact O-C 3.24Å; G340-R362 WeakPolarHBondContact O-CA 3.44Å; G340-R362 WeakPolarHBondContact O-CB 3.49Å; I342-R362 HydrophobicContact CG2-CB 3.47Å; I342-R362 VanDerWaalsContact CG2-CB 3.47Å; I342-R362 HydrophobicContact CG2-CG 4.43Å; I342-R362 WeakPolarHBondContact O-CD 3.43Å; L360-R362 HydrophobicContact CD1-CB 4.43Å; R362-S365 PolarHBondContact NH1-OG 3.36Å; R362-T373 PolarHBondContact N-O 3.09Å; R362-T373 PolarHBondContact O-N 2.81Å
363	D	85.1	Confident	78.3	Confident	52 Å²	52	56.6 Å²	56.6	28%	0.278	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	143.4	171.1	-64.4	-23.7	0	0	0	110.5	Y338 G340 D341 Y372	Y338-D363 PolarHBondContact OH-OD1 3.04Å; G340-D363 PolarHBondContact O-N 2.81Å; D341-D363 PolarHBondContact N-OD2 2.89Å; D363-Y372 WeakPolarHBondContact OD1-CD1 3Å; D363-Y372 WeakPolarHBondContact OD1-CE1 3.48Å
364	A	80	Confident	78.8	Confident	18 Å²	18	50.2 Å²	50.2	15%	0.149	27%	0.272	C	S	.	.			trans	-64.7	147.2	173.3	0	0	0	0	0	110	S366 E371	A364-S366 PolarHBondContact O-N 2.9Å; A364-S366 VanDerWaalsContact O-N 3.12Å; A364-E371 HydrophobicContact CB-CB 3.56Å; A364-E371 WeakPolarHBondContact CB-O 3.39Å; A364-E371 PolarHBondContact N-O 2.86Å
365	S	70.9	Confident	79.2	Confident	106 Å²	106	48.7 Å²	48.7	74%	0.741	26%	0.263	S	S	*	.	S	Bend	trans	-69	-9.5	177.4	-54.3	0	0	0	0	112.8	R362	R362-S365 PolarHBondContact NH1-OG 3.36Å
366	S	65.1	Low	79.5	Confident	55 Å²	55	45.2 Å²	45.2	39%	0.385	24%	0.24	S	C	.	.	S	Bend	trans	-81.8	124.6	170.7	-172.8	0	0	0	0	108.6	A364 L368	A364-S366 PolarHBondContact O-N 2.9Å; A364-S366 VanDerWaalsContact O-N 3.12Å; S366-L368 PolarHBondContact O-N 2.82Å; S366-L368 WeakPolarHBondContact OG-CD1 3.28Å; S366-L368 WeakPolarHBondContact OG-CG 3.43Å
367	K	56.8	Low	79.7	Confident	215 Å²	215	43.2 Å²	43.2	94%	0.935	23%	0.228	S	C	*	.			trans	-68.1	23.6	178.2	-69.4	-171.9	175.7	-174.5	0	114.2
368	L	57.8	Low	79.7	Confident	109 Å²	109	44.8 Å²	44.8	57%	0.571	23%	0.234	S	C	*	.			trans	-87.3	120.3	176.6	-66.3	171.6	0	0	0	108.4	S366 G370 E371	S366-L368 PolarHBondContact O-N 2.82Å; S366-L368 WeakPolarHBondContact OG-CD1 3.28Å; S366-L368 WeakPolarHBondContact OG-CG 3.43Å; L368-G370 PolarHBondContact O-N 2.85Å; L368-E371 HydrophobicContact CB-CG 4.46Å
369	E	55	Low	79.3	Confident	198 Å²	198	47 Å²	47	93%	0.925	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	125.1	179.7	-69.4	-178.1	162.2	0	0	110.9
370	G	61.1	Low	78.8	Confident	18 Å²	18	49.1 Å²	49.1	19%	0.186	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	101.8	3	174.2	0	0	0	0	0	116.4	L368 H389	L368-G370 PolarHBondContact O-N 2.85Å; G370-H389 WeakPolarHBondContact O-CB 3.33Å
371	E	75.1	Confident	78.5	Confident	38 Å²	38	53.7 Å²	53.7	18%	0.178	31%	0.305	C	S	.	.			trans	-94.4	120.3	172.3	-62.7	-165.6	149.8	0	0	111.4	A364 L368 K386	A364-E371 HydrophobicContact CB-CB 3.56Å; A364-E371 WeakPolarHBondContact CB-O 3.39Å; A364-E371 PolarHBondContact N-O 2.86Å; L368-E371 HydrophobicContact CB-CG 4.46Å; E371-K386 VanDerWaalsContact OE1-CE 3.31Å; E371-K386 WeakPolarHBondContact OE1-CE 3.49Å; E371-K386 IonicContact OE1-NZ 3.9Å; E371-K386 PolarHBondContact OE1-NZ 3.23Å; E371-K386 VanDerWaalsContact OE2-CE 3.3Å; E371-K386 WeakPolarHBondContact OE2-CE 3.46Å; E371-K386 IonicContact OE2-NZ 2.71Å; E371-K386 PolarHBondContact OE2-NZ 3.34Å
372	Y	85.6	Confident	78.4	Confident	35 Å²	35	55.7 Å²	55.7	14%	0.137	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	154.9	176.9	-56.8	-78.4	0	0	0	111.1	L332 Y338 D363 I387 Y394 V405	L332-Y372 HydrophobicContact CD2-CE1 3.79Å; L332-Y372 HydrophobicContact CD2-CE2 4.06Å; L332-Y372 VanDerWaalsContact CD2-CZ 3.47Å; L332-Y372 WeakPolarHBondContact CD2-OH 3.42Å; Y338-Y372 AromaticContact CE2-CD1 3.9Å; Y338-Y372 HydrophobicContact CE2-CD1 3.9Å; Y338-Y372 AromaticContact CE2-CE1 3.78Å; Y338-Y372 HydrophobicContact CE2-CE1 3.78Å; D363-Y372 WeakPolarHBondContact OD1-CD1 3Å; D363-Y372 WeakPolarHBondContact OD1-CE1 3.48Å; Y372-I387 PolarHBondContact N-O 2.86Å; Y372-I387 WeakPolarHBondContact O-CB 3.13Å; Y372-I387 PolarHBondContact O-N 2.98Å; Y372-Y394 HydrophobicContact CD2-CE1 4.39Å; Y372-Y394 HydrophobicContact CE2-CE1 4.01Å; Y372-V405 HydrophobicContact CD2-CG2 3.62Å; Y372-V405 HydrophobicContact CE2-CG2 3.76Å; Y372-V405 HydrophobicContact CG-CG2 4.49Å
373	T	88.1	Confident	78.2	Confident	14 Å²	14	59.4 Å²	59.4	9%	0.086	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	116.8	174.4	-53.8	0	0	0	0	109.8	R362 L384	R362-T373 PolarHBondContact N-O 3.09Å; R362-T373 PolarHBondContact O-N 2.81Å; T373-L384 HydrophobicContact CG2-CB 4.27Å; T373-L384 HydrophobicContact CG2-CD2 4.45Å
374	L	89.7	Confident	78.3	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	123.5	169.6	170.6	65.6	0	0	0	108.8	F359 V361 I385 I387 F396 I409 L428	F359-L374 HydrophobicContact CB-CD1 4.11Å; F359-L374 HydrophobicContact CD2-CD1 3.8Å; F359-L374 HydrophobicContact CG-CD1 4.38Å; V361-L374 HydrophobicContact CG2-CB 4.31Å; V361-L374 HydrophobicContact CG2-CD1 3.71Å; L374-I385 HydrophobicContact CB-CB 4.31Å; L374-I385 HydrophobicContact CD2-CD1 4.23Å; L374-I385 PolarHBondContact N-O 3.22Å; L374-I385 PolarHBondContact O-N 3.1Å; L374-I387 HydrophobicContact CB-CD1 4.06Å; L374-I387 HydrophobicContact CB-CG1 4.44Å; L374-F396 HydrophobicContact CD2-CE1 3.84Å; L374-F396 HydrophobicContact CD2-CZ 3.67Å; L374-I409 HydrophobicContact CD1-CD1 3.94Å; L374-I409 HydrophobicContact CD2-CD1 3.98Å; L374-I409 HydrophobicContact CG-CD1 4.46Å; L374-L428 HydrophobicContact CD1-CD2 4.41Å; L374-L428 HydrophobicContact CD2-CD1 4.3Å; L374-L428 HydrophobicContact CD2-CD2 4.29Å
375	T	90.2	Very high	78.6	Confident	2 Å²	2	60 Å²	60	1%	0.012	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	121.3	172.5	-48.8	0	0	0	0	109	V347 L351 F359 L360 N382 K383 L384	V347-T375 HydrophobicContact CG1-CG2 3.81Å; L351-T375 HydrophobicContact CD1-CG2 3.4Å; L351-T375 VanDerWaalsContact CD1-CG2 3.4Å; F359-T375 WeakPolarHBondContact CA-O 3.16Å; L360-T375 PolarHBondContact N-O 2.81Å; L360-T375 PolarHBondContact O-N 3.41Å; T375-N382 HydrophobicContact CG2-CB 4.08Å; T375-K383 WeakPolarHBondContact CA-O 3.46Å; T375-L384 HydrophobicContact CG2-CD1 4.47Å; T375-L384 HydrophobicContact CG2-CG 4.44Å
376	L	90.2	Very high	79.3	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	135.3	-178.8	171.1	67.4	0	0	0	110.3	F359 K383 L417 T426 L428	F359-L376 HydrophobicContact CB-CD1 4.03Å; L376-K383 PolarHBondContact N-O 2.95Å; L376-K383 PolarHBondContact O-N 3.07Å; L376-L417 HydrophobicContact CD2-CD1 3.39Å; L376-T426 HydrophobicContact CD1-CG2 4.19Å; L376-T426 HydrophobicContact CD2-CG2 4.33Å; L376-L428 HydrophobicContact CD1-CD2 3.89Å; L376-L428 HydrophobicContact CD2-CD2 4.43Å
377	R	89.3	Confident	80.3	Confident	29 Å²	29	55.8 Å²	55.8	11%	0.109	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	127.5	170.4	-171.8	167.1	179.7	154.6	-7.2	111.7	L351 D353 T354 G357 T358 N381	L351-R377 HydrophobicContact CD2-CB 4.41Å; L351-R377 PolarHBondContact O-NH1 3.14Å; D353-R377 VanDerWaalsContact CA-NH1 3.33Å; T354-R377 WeakPolarHBondContact O-CD 3.23Å; T354-R377 PolarHBondContact O-NE 3.35Å; T354-R377 PolarHBondContact O-NH1 3.01Å; T354-R377 WeakPolarHBondContact OG1-CD 3.23Å; T354-R377 PolarHBondContact OG1-NH1 3.38Å; G357-R377 PolarHBondContact N-O 2.9Å; T358-R377 PolarHBondContact O-N 2.93Å; R377-N381 WeakPolarHBondContact CA-O 3.41Å
378	K	83.4	Confident	81.5	Confident	32 Å²	32	50.7 Å²	50.7	14%	0.139	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	131.4	174.5	-172.4	-178	-179.1	-171.8	0	111.8	G380 N381 K383 K423 L424 D425	K378-G380 PolarHBondContact O-N 2.85Å; K378-N381 PolarHBondContact N-O 3.26Å; K378-N381 PolarHBondContact O-N 3.05Å; K378-N381 VanDerWaalsContact O-N 3.07Å; K378-K383 HydrophobicContact CB-CG 4.49Å; K378-K423 VanDerWaalsContact NZ-C 3.26Å; K378-K423 PolarHBondContact NZ-O 2.97Å; K378-L424 HydrophobicContact CD-CD2 3.93Å; K378-L424 VanDerWaalsContact NZ-CA 3.33Å; K378-D425 WeakPolarHBondContact CE-OD1 3.22Å; K378-D425 IonicContact NZ-OD1 3.72Å; K378-D425 PolarHBondContact NZ-OD1 3.23Å
379	G	80.8	Confident	82.6	Confident	53 Å²	53	48.8 Å²	48.8	55%	0.546	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	39.9	-179.6	0	0	0	0	0	111.6	D356 N381	D356-G379 PolarHBondContact OD1-N 2.78Å; D356-G379 WeakPolarHBondContact OD2-CA 3.19Å; D356-G379 PolarHBondContact OD2-N 2.82Å; G379-N381 PolarHBondContact O-N 2.99Å; G379-N381 VanDerWaalsContact O-N 3.14Å; G379-N381 PolarHBondContact O-ND2 3.26Å; G379-N381 VanDerWaalsContact O-ND2 3.1Å
380	G	80.3	Confident	83.5	Confident	45 Å²	45	44 Å²	44	46%	0.464	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	1.7	-176.7	0	0	0	0	0	116	D356 K378	D356-G380 PolarHBondContact OD1-N 3.1Å; K378-G380 PolarHBondContact O-N 2.85Å
381	N	84.1	Confident	83.9	Confident	96 Å²	96	51.8 Å²	51.8	51%	0.513	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	145.7	-178.8	-71.6	-77.2	0	0	0	112.1	R377 K378 G379	R377-N381 WeakPolarHBondContact CA-O 3.41Å; K378-N381 PolarHBondContact N-O 3.26Å; K378-N381 PolarHBondContact O-N 3.05Å; K378-N381 VanDerWaalsContact O-N 3.07Å; G379-N381 PolarHBondContact O-N 2.99Å; G379-N381 VanDerWaalsContact O-N 3.14Å; G379-N381 PolarHBondContact O-ND2 3.26Å; G379-N381 VanDerWaalsContact O-ND2 3.1Å
382	N	88.1	Confident	83.7	Confident	42 Å²	42	50.2 Å²	50.2	23%	0.225	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	118.2	173.2	-64.1	-16.4	0	0	0	109.8	N348 T375	N348-N382 PolarHBondContact OD1-ND2 3.36Å; T375-N382 HydrophobicContact CG2-CB 4.08Å
383	K	86.3	Confident	83.4	Confident	90 Å²	90	54.7 Å²	54.7	39%	0.391	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	118	177.7	-58.8	-64	-176.2	-171.4	0	108.7	T375 L376 K378 L424	T375-K383 WeakPolarHBondContact CA-O 3.46Å; L376-K383 PolarHBondContact N-O 2.95Å; L376-K383 PolarHBondContact O-N 3.07Å; K378-K383 HydrophobicContact CB-CG 4.49Å; K383-L424 HydrophobicContact CB-CD2 4.16Å; K383-L424 HydrophobicContact CD-CD2 4.4Å; K383-L424 HydrophobicContact CG-CD2 3.77Å
384	L	86.1	Confident	83.1	Confident	76 Å²	76	55.5 Å²	55.5	40%	0.398	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	124.5	176.9	-70.6	77.3	0	0	0	108.4	T373 T375	T373-L384 HydrophobicContact CG2-CB 4.27Å; T373-L384 HydrophobicContact CG2-CD2 4.45Å; T375-L384 HydrophobicContact CG2-CD1 4.47Å; T375-L384 HydrophobicContact CG2-CG 4.44Å
385	I	86.8	Confident	82.7	Confident	7 Å²	7	55.6 Å²	55.6	4%	0.036	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	119.3	-179.5	-52.5	174.2	0	0	0	107.3	L374 F396 Y420 L424	L374-I385 HydrophobicContact CB-CB 4.31Å; L374-I385 HydrophobicContact CD2-CD1 4.23Å; L374-I385 PolarHBondContact N-O 3.22Å; L374-I385 PolarHBondContact O-N 3.1Å; I385-F396 HydrophobicContact CG2-CB 4.24Å; I385-F396 HydrophobicContact CG2-CD1 3.4Å; I385-F396 VanDerWaalsContact CG2-CD1 3.4Å; I385-F396 HydrophobicContact CG2-CE1 3.79Å; I385-F396 HydrophobicContact CG2-CG 3.86Å; I385-Y420 HydrophobicContact CG2-CE1 3.96Å; I385-L424 HydrophobicContact CD1-CD1 3.85Å; I385-L424 HydrophobicContact CG1-CD1 4.43Å
386	K	85.7	Confident	82.2	Confident	73 Å²	73	55.9 Å²	55.9	32%	0.317	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	131.6	176.5	-172	168.1	175.4	176.6	0	109.4	E371 Y388	E371-K386 VanDerWaalsContact OE1-CE 3.31Å; E371-K386 WeakPolarHBondContact OE1-CE 3.49Å; E371-K386 IonicContact OE1-NZ 3.9Å; E371-K386 PolarHBondContact OE1-NZ 3.23Å; E371-K386 VanDerWaalsContact OE2-CE 3.3Å; E371-K386 WeakPolarHBondContact OE2-CE 3.46Å; E371-K386 IonicContact OE2-NZ 2.71Å; E371-K386 PolarHBondContact OE2-NZ 3.34Å; K386-Y388 HydrophobicContact CB-CE2 4.21Å; K386-Y388 HydrophobicContact CD-CD1 4.42Å; K386-Y388 HydrophobicContact CD-CE1 3.74Å; K386-Y388 HydrophobicContact CD-CE2 4.48Å; K386-Y388 HydrophobicContact CG-CE1 4.21Å; K386-Y388 HydrophobicContact CG-CE2 4.25Å
387	I	86.4	Confident	81.4	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	117.5	171.5	-61	165.7	0	0	0	106.5	V361 Y372 L374 Y394 F396 V405 L408	V361-I387 HydrophobicContact CG1-CD1 4.26Å; Y372-I387 PolarHBondContact N-O 2.86Å; Y372-I387 WeakPolarHBondContact O-CB 3.13Å; Y372-I387 PolarHBondContact O-N 2.98Å; L374-I387 HydrophobicContact CB-CD1 4.06Å; L374-I387 HydrophobicContact CB-CG1 4.44Å; I387-Y394 HydrophobicContact CG2-CD1 4.24Å; I387-F396 HydrophobicContact CD1-CE1 4.39Å; I387-F396 HydrophobicContact CG1-CD1 3.98Å; I387-F396 HydrophobicContact CG1-CE1 3.71Å; I387-V405 HydrophobicContact CD1-CG1 4.1Å; I387-V405 HydrophobicContact CG2-CG2 4.45Å; I387-L408 HydrophobicContact CD1-CD2 4.12Å; I387-L408 HydrophobicContact CG1-CD2 4.01Å; I387-L408 HydrophobicContact CG2-CD2 3.83Å
388	Y	81.8	Confident	80.3	Confident	108 Å²	108	64.7 Å²	64.7	42%	0.424	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	147.9	177.4	-65.7	-83.2	0	0	0	110.5	K386 Y394 G395 F396	K386-Y388 HydrophobicContact CB-CE2 4.21Å; K386-Y388 HydrophobicContact CD-CD1 4.42Å; K386-Y388 HydrophobicContact CD-CE1 3.74Å; K386-Y388 HydrophobicContact CD-CE2 4.48Å; K386-Y388 HydrophobicContact CG-CE1 4.21Å; K386-Y388 HydrophobicContact CG-CE2 4.25Å; Y388-Y394 WeakPolarHBondContact O-CA 3.28Å; Y388-G395 PolarHBondContact N-O 3.32Å; Y388-G395 PolarHBondContact O-N 2.95Å; Y388-F396 WeakPolarHBondContact CD2-O 3.47Å; Y388-F396 WeakPolarHBondContact CE2-O 3.48Å
389	H	80.6	Confident	79.3	Confident	69 Å²	69	68.3 Å²	68.3	32%	0.319	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	124.4	175.8	171.2	-112.8	0	0	0	109.5	G370 R393 Y394	G370-H389 WeakPolarHBondContact O-CB 3.33Å; H389-R393 WeakPolarHBondContact CA-O 3.35Å; H389-Y394 HydrophobicContact CB-CD1 4.07Å; H389-Y394 HydrophobicContact CB-CE1 3.87Å; H389-Y394 AromaticContact CD2-CE1 3.5Å; H389-Y394 AromaticContact CD2-CZ 3.51Å; H389-Y394 AromaticContact CG-CE1 3.87Å
390	Q	73.9	Confident	79.1	Confident	96 Å²	96	66.6 Å²	66.6	45%	0.449	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	132.2	175.6	-162	-178.2	-4.7	0	0	109.2	G392 R393 L400	Q390-G392 PolarHBondContact O-N 3.11Å; Q390-R393 PolarHBondContact N-O 3.21Å; Q390-R393 VanDerWaalsContact N-O 3.12Å; Q390-R393 PolarHBondContact O-N 3.35Å; Q390-L400 HydrophobicContact CB-CD1 3.28Å; Q390-L400 HydrophobicContact CG-CD1 4.47Å
391	E	70.1	Confident	79	Confident	182 Å²	182	69.1 Å²	69.1	85%	0.85	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	32	177.8	-62.3	-178.7	-175.7	0	0	114.6
392	G	70.9	Confident	78.8	Confident	5 Å²	5	65.5 Å²	65.5	5%	0.052	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	13	-179.8	0	0	0	0	0	115.2	Q390 Q403	Q390-G392 PolarHBondContact O-N 3.11Å; G392-Q403 PolarHBondContact O-NE2 3.42Å
393	R	78.6	Confident	78.3	Confident	130 Å²	130	68.6 Å²	68.6	49%	0.491	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	150.3	172.7	-62.6	-171.2	-166.2	147.9	8.6	111.8	H389 Q390 L400 F402	H389-R393 WeakPolarHBondContact CA-O 3.35Å; Q390-R393 PolarHBondContact N-O 3.21Å; Q390-R393 VanDerWaalsContact N-O 3.12Å; Q390-R393 PolarHBondContact O-N 3.35Å; R393-L400 HydrophobicContact CB-CB 3.79Å; R393-L400 WeakPolarHBondContact CD-O 3.46Å; R393-F402 CarbonylContact C-O 3.36Å; R393-F402 WeakPolarHBondContact CA-O 3.43Å; R393-F402 WeakPolarHBondContact CB-O 3.38Å
394	Y	82.3	Confident	78.2	Confident	30 Å²	30	65.4 Å²	65.4	12%	0.118	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	150.7	-176.9	-60.3	-87.9	0	0	0	111.4	Y372 I387 Y388 H389 F402 V405	Y372-Y394 HydrophobicContact CD2-CE1 4.39Å; Y372-Y394 HydrophobicContact CE2-CE1 4.01Å; I387-Y394 HydrophobicContact CG2-CD1 4.24Å; Y388-Y394 WeakPolarHBondContact O-CA 3.28Å; H389-Y394 HydrophobicContact CB-CD1 4.07Å; H389-Y394 HydrophobicContact CB-CE1 3.87Å; H389-Y394 AromaticContact CD2-CE1 3.5Å; H389-Y394 AromaticContact CD2-CZ 3.51Å; H389-Y394 AromaticContact CG-CE1 3.87Å; Y394-F402 PolarHBondContact N-O 2.88Å; Y394-F402 WeakPolarHBondContact O-CB 3.37Å; Y394-F402 PolarHBondContact O-N 2.75Å; Y394-V405 HydrophobicContact CD1-CG2 3.4Å; Y394-V405 HydrophobicContact CD2-CG2 4.37Å; Y394-V405 HydrophobicContact CE1-CG2 3.59Å; Y394-V405 HydrophobicContact CG-CG2 3.81Å
395	G	81.3	Confident	78.1	Confident	3 Å²	3	62 Å²	62	3%	0.031	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.1	171.5	177	0	0	0	0	0	112.8	Y388 L400	Y388-G395 PolarHBondContact N-O 3.32Å; Y388-G395 PolarHBondContact O-N 2.95Å; G395-L400 VanDerWaalsContact N-CD2 3.32Å
396	F	80.2	Confident	78	Confident	7 Å²	7	63.2 Å²	63.2	3%	0.031	31%	0.314	C	S	.	.	S	Bend	trans	-88.2	-23.9	-179.4	-55.5	-49.8	0	0	0	113.3	L374 I385 I387 Y388 L408 Y412 L417 Y420	L374-F396 HydrophobicContact CD2-CE1 3.84Å; L374-F396 HydrophobicContact CD2-CZ 3.67Å; I385-F396 HydrophobicContact CG2-CB 4.24Å; I385-F396 HydrophobicContact CG2-CD1 3.4Å; I385-F396 VanDerWaalsContact CG2-CD1 3.4Å; I385-F396 HydrophobicContact CG2-CE1 3.79Å; I385-F396 HydrophobicContact CG2-CG 3.86Å; I387-F396 HydrophobicContact CD1-CE1 4.39Å; I387-F396 HydrophobicContact CG1-CD1 3.98Å; I387-F396 HydrophobicContact CG1-CE1 3.71Å; Y388-F396 WeakPolarHBondContact CD2-O 3.47Å; Y388-F396 WeakPolarHBondContact CE2-O 3.48Å; F396-L408 HydrophobicContact CD1-CD2 4.35Å; F396-L408 HydrophobicContact CE1-CD2 3.83Å; F396-L408 HydrophobicContact CE1-CG 4.4Å; F396-L408 HydrophobicContact CE2-CD1 4.21Å; F396-L408 HydrophobicContact CZ-CD1 4.23Å; F396-L408 HydrophobicContact CZ-CD2 4.06Å; F396-L408 HydrophobicContact CZ-CG 4.12Å; F396-Y412 HydrophobicContact CD2-CD2 4.44Å; F396-Y412 AromaticContact CD2-CE2 3.84Å; F396-Y412 HydrophobicContact CD2-CE2 3.84Å; F396-Y412 AromaticContact CE2-CD2 3.45Å; F396-Y412 HydrophobicContact CE2-CD2 3.45Å; F396-Y412 VanDerWaalsContact CE2-CD2 3.45Å; F396-Y412 HydrophobicContact CE2-CE1 4.49Å; F396-Y412 AromaticContact CE2-CE2 3.27Å; F396-Y412 HydrophobicContact CE2-CE2 3.27Å; F396-Y412 HydrophobicContact CE2-CG 4.17Å; F396-Y412 AromaticContact CE2-CZ 3.82Å; F396-Y412 AromaticContact CZ-CD2 3.99Å; F396-Y412 HydrophobicContact CZ-CD2 3.99Å; F396-Y412 HydrophobicContact CZ-CE2 4.16Å; F396-L417 HydrophobicContact CD2-CD2 4.32Å; F396-L417 HydrophobicContact CE2-CD2 3.5Å; F396-L417 HydrophobicContact CZ-CD2 4.09Å; F396-Y420 HydrophobicContact CB-CD1 4.27Å; F396-Y420 HydrophobicContact CB-CD2 3.53Å; F396-Y420 HydrophobicContact CB-CE1 4.05Å; F396-Y420 HydrophobicContact CB-CE2 3.27Å; F396-Y420 HydrophobicContact CB-CG 4.03Å; F396-Y420 HydrophobicContact CD2-CD1 4.11Å; F396-Y420 HydrophobicContact CD2-CD2 4.13Å; F396-Y420 AromaticContact CD2-CG 3.85Å; F396-Y420 HydrophobicContact CD2-CG 3.85Å; F396-Y420 HydrophobicContact CG-CD1 4.43Å; F396-Y420 HydrophobicContact CG-CD2 4.3Å; F396-Y420 HydrophobicContact CG-CE1 4.47Å; F396-Y420 HydrophobicContact CG-CE2 4.35Å; F396-Y420 HydrophobicContact CG-CG 4.34Å
397	S	72.5	Confident	77.9	Confident	65 Å²	65	64.3 Å²	64.3	46%	0.455	32%	0.321	S	S	.	.	S	Bend	trans	-154.4	160	175.9	55.9	0	0	0	0	110.1	P399	S397-P399 CarbonylContact O-C 3.51Å
398	E	65.7	Low	77.9	Confident	150 Å²	150	64.3 Å²	64.3	70%	0.701	32%	0.321	S	S	*	.	S	Bend	trans	-65.7	139	172.3	-71.8	-176.3	-178	0	0	111.2
399	P	62.8	Low	78.2	Confident	107 Å²	107	59.2 Å²	59.2	70%	0.695	30%	0.3	S	S	*	.	S	Bend	cis	-81.4	138.2	1.9	32	-33.1	0	0	0	113.4	S397 T401	S397-P399 CarbonylContact O-C 3.51Å; P399-T401 PolarHBondContact O-N 2.95Å
400	L	77.6	Confident	78.4	Confident	17 Å²	17	58.8 Å²	58.8	9%	0.089	30%	0.301	C	S	.	.			trans	-74.2	111.6	176.2	-58.7	160.2	0	0	0	109.9	Q390 R393 G395	Q390-L400 HydrophobicContact CB-CD1 3.28Å; Q390-L400 HydrophobicContact CG-CD1 4.47Å; R393-L400 HydrophobicContact CB-CB 3.79Å; R393-L400 WeakPolarHBondContact CD-O 3.46Å; G395-L400 VanDerWaalsContact N-CD2 3.32Å
401	T	77.1	Confident	78.9	Confident	99 Å²	99	57.1 Å²	57.1	61%	0.607	29%	0.293	S	S	*	.			trans	-102.8	-18.6	-171.5	50.2	0	0	0	0	114.7	P399	P399-T401 PolarHBondContact O-N 2.95Å
402	F	80.9	Confident	79.6	Confident	19 Å²	19	49.4 Å²	49.4	8%	0.083	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-99.5	146.2	-170.6	-58.1	-85.1	0	0	0	112.1	R393 Y394 E407 L408 H411 Y412	R393-F402 CarbonylContact C-O 3.36Å; R393-F402 WeakPolarHBondContact CA-O 3.43Å; R393-F402 WeakPolarHBondContact CB-O 3.38Å; Y394-F402 PolarHBondContact N-O 2.88Å; Y394-F402 WeakPolarHBondContact O-CB 3.37Å; Y394-F402 PolarHBondContact O-N 2.75Å; F402-E407 HydrophobicContact CD1-CG 4.3Å; F402-L408 HydrophobicContact CB-CB 4.18Å; F402-L408 HydrophobicContact CB-CD1 4.49Å; F402-L408 HydrophobicContact CD2-CB 4.35Å; F402-L408 HydrophobicContact CD2-CD1 3.23Å; F402-L408 HydrophobicContact CD2-CG 4.4Å; F402-L408 HydrophobicContact CE2-CD1 3.42Å; F402-L408 VanDerWaalsContact CE2-CD1 3.42Å; F402-L408 HydrophobicContact CG-CB 4.09Å; F402-L408 HydrophobicContact CG-CD1 3.84Å; F402-L408 HydrophobicContact CZ-CD1 4.17Å; F402-H411 HydrophobicContact CE1-CB 3.7Å; F402-H411 AromaticContact CE1-CD2 3.81Å; F402-H411 AromaticContact CE1-CG 3.57Å; F402-H411 AromaticContact CE1-ND1 3.95Å; F402-H411 HydrophobicContact CZ-CB 4.26Å; F402-H411 AromaticContact CZ-CG 3.86Å; F402-H411 AromaticContact CZ-ND1 3.73Å; F402-Y412 HydrophobicContact CE2-CE2 4.07Å; F402-Y412 HydrophobicContact CZ-CE2 4.06Å
403	Q	77.5	Confident	80.2	Confident	107 Å²	107	52.8 Å²	52.8	50%	0.5	27%	0.267	S	S	.	.	S	Bend	trans	-90.2	-18	-177.2	-163.3	59.5	50.8	0	0	112.5	G392 E407	G392-Q403 PolarHBondContact O-NE2 3.42Å; Q403-E407 PolarHBondContact N-OE2 3.29Å; Q403-E407 VanDerWaalsContact N-OE2 3.13Å
404	S	82.9	Confident	80	Confident	24 Å²	24	53.2 Å²	53.2	17%	0.168	28%	0.275	C	S	.	.			trans	-146.4	158.2	174.1	70.6	0	0	0	0	112.6	V406 E407 L408	S404-V406 VanDerWaalsContact C-N 3.27Å; S404-V406 PolarHBondContact O-N 3.41Å; S404-E407 PolarHBondContact O-N 3.15Å; S404-E407 VanDerWaalsContact OG-CB 3.27Å; S404-E407 WeakPolarHBondContact OG-CB 3.5Å; S404-E407 PolarHBondContact OG-N 3.09Å; S404-L408 PolarHBondContact O-N 2.92Å
405	V	83.8	Confident	79.8	Confident	4 Å²	4	55.5 Å²	55.5	2%	0.024	29%	0.286	C	S	.	.	H	α-helix	trans	-63.4	-34.8	171.9	-178.6	0	0	0	0	111.2	L332 W337 Y372 I387 Y394 E407 L408 I409	L332-V405 HydrophobicContact CD1-CB 3.94Å; L332-V405 HydrophobicContact CD1-CG1 3.97Å; L332-V405 HydrophobicContact CD2-CB 4.47Å; L332-V405 HydrophobicContact CD2-CG2 4.5Å; W337-V405 HydrophobicContact CH2-CG1 4.07Å; W337-V405 HydrophobicContact CZ3-CG1 4.25Å; Y372-V405 HydrophobicContact CD2-CG2 3.62Å; Y372-V405 HydrophobicContact CE2-CG2 3.76Å; Y372-V405 HydrophobicContact CG-CG2 4.49Å; I387-V405 HydrophobicContact CD1-CG1 4.1Å; I387-V405 HydrophobicContact CG2-CG2 4.45Å; Y394-V405 HydrophobicContact CD1-CG2 3.4Å; Y394-V405 HydrophobicContact CD2-CG2 4.37Å; Y394-V405 HydrophobicContact CE1-CG2 3.59Å; Y394-V405 HydrophobicContact CG-CG2 3.81Å; V405-E407 PolarHBondContact O-N 3.32Å; V405-L408 WeakPolarHBondContact O-CB 3.31Å; V405-L408 PolarHBondContact O-N 2.88Å; V405-I409 HydrophobicContact CG1-CG1 4.3Å; V405-I409 WeakPolarHBondContact O-CG1 3.44Å; V405-I409 PolarHBondContact O-N 3.3Å
406	V	85.6	Confident	79.7	Confident	32 Å²	32	56.9 Å²	56.9	19%	0.194	30%	0.295	C	S	.	.	H	α-helix	trans	-64.5	-42.1	178.5	179.9	0	0	0	0	111.2	L332 W337 S404 N410	L332-V406 HydrophobicContact CB-CG2 4.3Å; L332-V406 HydrophobicContact CD1-CG2 4.06Å; W337-V406 HydrophobicContact CH2-CG2 4.24Å; W337-V406 HydrophobicContact CZ2-CB 4.41Å; W337-V406 HydrophobicContact CZ2-CG1 4.45Å; W337-V406 HydrophobicContact CZ2-CG2 4.19Å; S404-V406 VanDerWaalsContact C-N 3.27Å; S404-V406 PolarHBondContact O-N 3.41Å; V406-N410 VanDerWaalsContact O-CB 3.31Å; V406-N410 WeakPolarHBondContact O-CB 3.46Å; V406-N410 PolarHBondContact O-N 3.03Å; V406-N410 PolarHBondContact O-ND2 3.39Å
407	E	84.2	Confident	79.7	Confident	97 Å²	97	56.5 Å²	56.5	45%	0.453	29%	0.294	S	S	.	.	H	α-helix	trans	-65.8	-43.6	175.2	-172	-177.9	-163.1	0	0	111.7	F402 Q403 S404 V405 I409 N410 H411	F402-E407 HydrophobicContact CD1-CG 4.3Å; Q403-E407 PolarHBondContact N-OE2 3.29Å; Q403-E407 VanDerWaalsContact N-OE2 3.13Å; S404-E407 PolarHBondContact O-N 3.15Å; S404-E407 VanDerWaalsContact OG-CB 3.27Å; S404-E407 WeakPolarHBondContact OG-CB 3.5Å; S404-E407 PolarHBondContact OG-N 3.09Å; V405-E407 PolarHBondContact O-N 3.32Å; E407-I409 PolarHBondContact O-N 2.87Å; E407-N410 PolarHBondContact O-N 3.41Å; E407-H411 VanDerWaalsContact O-CB 3.28Å; E407-H411 WeakPolarHBondContact O-CB 3.48Å; E407-H411 PolarHBondContact O-N 3.44Å
408	L	86.6	Confident	79.8	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-54.1	-53	174	176.2	75.1	0	0	0	111	I387 F396 F402 S404 V405 H411 Y412	I387-L408 HydrophobicContact CD1-CD2 4.12Å; I387-L408 HydrophobicContact CG1-CD2 4.01Å; I387-L408 HydrophobicContact CG2-CD2 3.83Å; F396-L408 HydrophobicContact CD1-CD2 4.35Å; F396-L408 HydrophobicContact CE1-CD2 3.83Å; F396-L408 HydrophobicContact CE1-CG 4.4Å; F396-L408 HydrophobicContact CE2-CD1 4.21Å; F396-L408 HydrophobicContact CZ-CD1 4.23Å; F396-L408 HydrophobicContact CZ-CD2 4.06Å; F396-L408 HydrophobicContact CZ-CG 4.12Å; F402-L408 HydrophobicContact CB-CB 4.18Å; F402-L408 HydrophobicContact CB-CD1 4.49Å; F402-L408 HydrophobicContact CD2-CB 4.35Å; F402-L408 HydrophobicContact CD2-CD1 3.23Å; F402-L408 HydrophobicContact CD2-CG 4.4Å; F402-L408 HydrophobicContact CE2-CD1 3.42Å; F402-L408 VanDerWaalsContact CE2-CD1 3.42Å; F402-L408 HydrophobicContact CG-CB 4.09Å; F402-L408 HydrophobicContact CG-CD1 3.84Å; F402-L408 HydrophobicContact CZ-CD1 4.17Å; S404-L408 PolarHBondContact O-N 2.92Å; V405-L408 WeakPolarHBondContact O-CB 3.31Å; V405-L408 PolarHBondContact O-N 2.88Å; L408-H411 PolarHBondContact O-N 2.89Å; L408-Y412 HydrophobicContact CD1-CD2 3.97Å; L408-Y412 HydrophobicContact CD1-CE2 3.58Å; L408-Y412 HydrophobicContact CG-CD2 4.34Å; L408-Y412 HydrophobicContact CG-CE2 4.42Å; L408-Y412 WeakPolarHBondContact O-CD2 3.33Å; L408-Y412 PolarHBondContact O-N 3.05Å
409	I	87.9	Confident	80	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63.8	-48.1	179.9	-65	-56.9	0	0	0	110.5	W337 F359 V361 L374 V405 E407 H411 Y412 R413 L428	W337-I409 HydrophobicContact CD2-CG2 4.1Å; W337-I409 HydrophobicContact CE3-CG1 4.32Å; W337-I409 HydrophobicContact CH2-CB 4.02Å; W337-I409 HydrophobicContact CH2-CG1 3.64Å; W337-I409 HydrophobicContact CH2-CG2 4.41Å; W337-I409 HydrophobicContact CZ2-CB 3.8Å; W337-I409 HydrophobicContact CZ2-CG1 3.96Å; W337-I409 HydrophobicContact CZ2-CG2 3.89Å; W337-I409 HydrophobicContact CZ3-CG1 3.84Å; F359-I409 HydrophobicContact CE2-CG2 3.61Å; F359-I409 HydrophobicContact CZ-CG2 4.02Å; V361-I409 HydrophobicContact CG2-CD1 3.85Å; V361-I409 HydrophobicContact CG2-CG1 4.14Å; L374-I409 HydrophobicContact CD1-CD1 3.94Å; L374-I409 HydrophobicContact CD2-CD1 3.98Å; L374-I409 HydrophobicContact CG-CD1 4.46Å; V405-I409 HydrophobicContact CG1-CG1 4.3Å; V405-I409 WeakPolarHBondContact O-CG1 3.44Å; V405-I409 PolarHBondContact O-N 3.3Å; E407-I409 PolarHBondContact O-N 2.87Å; I409-H411 VanDerWaalsContact C-N 3.28Å; I409-H411 PolarHBondContact O-N 3.25Å; I409-Y412 CarbonylContact O-C 3.58Å; I409-Y412 PolarHBondContact O-N 2.92Å; I409-Y412 VanDerWaalsContact O-N 3.13Å; I409-R413 HydrophobicContact CG2-CG 4.38Å; I409-R413 WeakPolarHBondContact O-CG 3.46Å; I409-R413 PolarHBondContact O-N 2.92Å; I409-L428 HydrophobicContact CB-CD1 4.44Å; I409-L428 HydrophobicContact CD1-CD1 3.81Å; I409-L428 HydrophobicContact CG2-CD1 3.91Å
410	N	85	Confident	80.3	Confident	61 Å²	61	52.6 Å²	52.6	33%	0.326	26%	0.263	S	S	.	.	H	α-helix	trans	-61.8	-34.9	-180	-78.7	-24.8	0	0	0	113.2	V406 E407 R413 H414	V406-N410 VanDerWaalsContact O-CB 3.31Å; V406-N410 WeakPolarHBondContact O-CB 3.46Å; V406-N410 PolarHBondContact O-N 3.03Å; V406-N410 PolarHBondContact O-ND2 3.39Å; E407-N410 PolarHBondContact O-N 3.41Å; N410-R413 WeakPolarHBondContact O-CB 3.41Å; N410-R413 PolarHBondContact O-N 3.18Å; N410-R413 WeakPolarHBondContact OD1-CD 3.39Å; N410-H414 PolarHBondContact O-ND1 2.91Å
411	H	83.6	Confident	80	Confident	60 Å²	60	54.9 Å²	54.9	28%	0.278	28%	0.275	S	S	.	.	H	α-helix	trans	-60	-51.8	172	-177.6	-88.8	0	0	0	111	F402 E407 L408 I409 R413 H414 E415	F402-H411 HydrophobicContact CE1-CB 3.7Å; F402-H411 AromaticContact CE1-CD2 3.81Å; F402-H411 AromaticContact CE1-CG 3.57Å; F402-H411 AromaticContact CE1-ND1 3.95Å; F402-H411 HydrophobicContact CZ-CB 4.26Å; F402-H411 AromaticContact CZ-CG 3.86Å; F402-H411 AromaticContact CZ-ND1 3.73Å; E407-H411 VanDerWaalsContact O-CB 3.28Å; E407-H411 WeakPolarHBondContact O-CB 3.48Å; E407-H411 PolarHBondContact O-N 3.44Å; L408-H411 PolarHBondContact O-N 2.89Å; I409-H411 VanDerWaalsContact C-N 3.28Å; I409-H411 PolarHBondContact O-N 3.25Å; H411-R413 PolarHBondContact O-N 3.4Å; H411-H414 PolarHBondContact O-N 2.79Å; H411-E415 IonicContact CE1-OE2 3.83Å; H411-E415 PolarHBondContact CE1-OE2 3.15Å; H411-E415 IonicContact ND1-OE2 3.72Å; H411-E415 IonicContact NE2-OE2 3.86Å; H411-E415 PolarHBondContact NE2-OE2 3.14Å; H411-E415 VanDerWaalsContact NE2-OE2 3.14Å; H411-E415 PolarHBondContact O-N 3.01Å
412	Y	83.8	Confident	79.7	Confident	21 Å²	21	54 Å²	54	8%	0.082	28%	0.278	C	S	.	.	H	α-helix	trans	-77	-1.6	179	-68.8	-68.6	0	0	0	115.2	F396 F402 L408 I409 E415 L417 Q419 L428	F396-Y412 HydrophobicContact CD2-CD2 4.44Å; F396-Y412 AromaticContact CD2-CE2 3.84Å; F396-Y412 HydrophobicContact CD2-CE2 3.84Å; F396-Y412 AromaticContact CE2-CD2 3.45Å; F396-Y412 HydrophobicContact CE2-CD2 3.45Å; F396-Y412 VanDerWaalsContact CE2-CD2 3.45Å; F396-Y412 HydrophobicContact CE2-CE1 4.49Å; F396-Y412 AromaticContact CE2-CE2 3.27Å; F396-Y412 HydrophobicContact CE2-CE2 3.27Å; F396-Y412 HydrophobicContact CE2-CG 4.17Å; F396-Y412 AromaticContact CE2-CZ 3.82Å; F396-Y412 AromaticContact CZ-CD2 3.99Å; F396-Y412 HydrophobicContact CZ-CD2 3.99Å; F396-Y412 HydrophobicContact CZ-CE2 4.16Å; F402-Y412 HydrophobicContact CE2-CE2 4.07Å; F402-Y412 HydrophobicContact CZ-CE2 4.06Å; L408-Y412 HydrophobicContact CD1-CD2 3.97Å; L408-Y412 HydrophobicContact CD1-CE2 3.58Å; L408-Y412 HydrophobicContact CG-CD2 4.34Å; L408-Y412 HydrophobicContact CG-CE2 4.42Å; L408-Y412 WeakPolarHBondContact O-CD2 3.33Å; L408-Y412 PolarHBondContact O-N 3.05Å; I409-Y412 CarbonylContact O-C 3.58Å; I409-Y412 PolarHBondContact O-N 2.92Å; I409-Y412 VanDerWaalsContact O-N 3.13Å; Y412-E415 CarbonylContact C-O 3.42Å; Y412-E415 WeakPolarHBondContact CA-O 3.22Å; Y412-L417 HydrophobicContact CD1-CD2 3.6Å; Y412-L417 HydrophobicContact CD1-CG 3.99Å; Y412-L417 HydrophobicContact CD2-CD2 4.24Å; Y412-L417 HydrophobicContact CE1-CD2 4.04Å; Y412-L417 HydrophobicContact CG-CD2 3.69Å; Y412-L417 HydrophobicContact CG-CG 4.25Å; Y412-Q419 HydrophobicContact CE1-CB 4.49Å; Y412-L428 WeakPolarHBondContact O-CB 3.2Å; Y412-L428 PolarHBondContact O-N 2.84Å
413	R	84.1	Confident	79.1	Confident	75 Å²	75	61.4 Å²	61.4	28%	0.283	31%	0.31	S	S	.	.	H	α-helix	trans	-74.7	-35.6	161.8	-69.3	177.1	79.3	161	9.1	111.2	E336 F359 I409 N410 H411 L428	E336-R413 IonicContact OE1-NH1 2.83Å; E336-R413 IonicContact OE1-NH2 2.99Å; F359-R413 HydrophobicContact CZ-CG 4.37Å; I409-R413 HydrophobicContact CG2-CG 4.38Å; I409-R413 WeakPolarHBondContact O-CG 3.46Å; I409-R413 PolarHBondContact O-N 2.92Å; N410-R413 WeakPolarHBondContact O-CB 3.41Å; N410-R413 PolarHBondContact O-N 3.18Å; N410-R413 WeakPolarHBondContact OD1-CD 3.39Å; H411-R413 PolarHBondContact O-N 3.4Å; R413-L428 HydrophobicContact CG-CB 3.85Å; R413-L428 WeakPolarHBondContact CG-O 3.43Å
414	H	75.1	Confident	78.9	Confident	140 Å²	140	56.9 Å²	56.9	65%	0.648	29%	0.29	S	S	*	.	H	α-helix	trans	-95.5	-35.3	-177	-61.5	88.3	0	0	0	112	N410 H411 K427	N410-H414 PolarHBondContact O-ND1 2.91Å; H411-H414 PolarHBondContact O-N 2.79Å; H414-K427 WeakPolarHBondContact O-CE 3.32Å; H414-K427 PolarHBondContact O-NZ 3.48Å
415	E	77.5	Confident	78.6	Confident	78 Å²	78	60.8 Å²	60.8	36%	0.364	31%	0.308	S	S	.	.	S	Bend	trans	-103.6	148.4	177	-62.1	-162.8	164.3	0	0	112	H411 Y412 Q419	H411-E415 IonicContact CE1-OE2 3.83Å; H411-E415 PolarHBondContact CE1-OE2 3.15Å; H411-E415 IonicContact ND1-OE2 3.72Å; H411-E415 IonicContact NE2-OE2 3.86Å; H411-E415 PolarHBondContact NE2-OE2 3.14Å; H411-E415 VanDerWaalsContact NE2-OE2 3.14Å; H411-E415 PolarHBondContact O-N 3.01Å; Y412-E415 CarbonylContact C-O 3.42Å; Y412-E415 WeakPolarHBondContact CA-O 3.22Å; E415-Q419 VanDerWaalsContact OE2-CD 3.25Å; E415-Q419 PolarHBondContact OE2-NE2 2.9Å; E415-Q419 PolarHBondContact OE2-OE1 3.12Å
416	S	80	Confident	78.4	Confident	31 Å²	31	61.4 Å²	61.4	22%	0.217	31%	0.312	C	S	.	.			trans	-74.8	139.2	-178.4	-176.6	0	0	0	0	111.1	A418 Q419	S416-A418 PolarHBondContact O-N 3.13Å; S416-A418 WeakPolarHBondContact OG-CB 3.1Å; S416-A418 PolarHBondContact OG-N 2.96Å; S416-Q419 PolarHBondContact O-N 3.35Å
417	L	80.3	Confident	78.4	Confident	0 Å²	0	64 Å²	64	0%	0	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-62.7	-5.6	170.4	-75.6	161	0	0	0	113	L376 F396 Y412 Q419 Y420 N421 L424 T426 L428	L376-L417 HydrophobicContact CD2-CD1 3.39Å; F396-L417 HydrophobicContact CD2-CD2 4.32Å; F396-L417 HydrophobicContact CE2-CD2 3.5Å; F396-L417 HydrophobicContact CZ-CD2 4.09Å; Y412-L417 HydrophobicContact CD1-CD2 3.6Å; Y412-L417 HydrophobicContact CD1-CG 3.99Å; Y412-L417 HydrophobicContact CD2-CD2 4.24Å; Y412-L417 HydrophobicContact CE1-CD2 4.04Å; Y412-L417 HydrophobicContact CG-CD2 3.69Å; Y412-L417 HydrophobicContact CG-CG 4.25Å; L417-Q419 PolarHBondContact O-N 3.24Å; L417-Q419 VanDerWaalsContact O-N 3.15Å; L417-Y420 PolarHBondContact O-N 3.1Å; L417-N421 PolarHBondContact O-N 3.21Å; L417-L424 CarbonylContact C-O 3.43Å; L417-L424 HydrophobicContact CB-CB 4.19Å; L417-L424 VanDerWaalsContact CB-O 3.22Å; L417-L424 WeakPolarHBondContact CB-O 3.33Å; L417-T426 WeakPolarHBondContact CB-O 3.49Å; L417-T426 PolarHBondContact N-O 2.98Å; L417-L428 HydrophobicContact CD1-CD2 3.73Å; L417-L428 HydrophobicContact CD1-CG 4.16Å
418	A	73.8	Confident	78.5	Confident	41 Å²	41	59.5 Å²	59.5	34%	0.339	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-48.8	-33.7	165.8	0	0	0	0	0	113	S416 Y420 N421 A422 L424 D425	S416-A418 PolarHBondContact O-N 3.13Å; S416-A418 WeakPolarHBondContact OG-CB 3.1Å; S416-A418 PolarHBondContact OG-N 2.96Å; A418-Y420 VanDerWaalsContact C-N 3.28Å; A418-Y420 PolarHBondContact O-N 3.22Å; A418-N421 WeakPolarHBondContact CA-O 3.37Å; A418-N421 CarbonylContact O-C 3.45Å; A418-N421 PolarHBondContact O-N 2.64Å; A418-A422 PolarHBondContact O-N 3.2Å; A418-L424 PolarHBondContact N-O 3.35Å; A418-L424 VanDerWaalsContact N-O 3.13Å; A418-D425 HydrophobicContact CB-CB 4.3Å
419	Q	69.4	Low	78.2	Confident	117 Å²	117	63.7 Å²	63.7	55%	0.547	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-63.7	-33.2	177.6	-68.3	176.9	-17.8	0	0	113.1	Y412 E415 S416 L417	Y412-Q419 HydrophobicContact CE1-CB 4.49Å; E415-Q419 VanDerWaalsContact OE2-CD 3.25Å; E415-Q419 PolarHBondContact OE2-NE2 2.9Å; E415-Q419 PolarHBondContact OE2-OE1 3.12Å; S416-Q419 PolarHBondContact O-N 3.35Å; L417-Q419 PolarHBondContact O-N 3.24Å; L417-Q419 VanDerWaalsContact O-N 3.15Å
420	Y	69.1	Low	78.1	Confident	82 Å²	82	69.7 Å²	69.7	32%	0.322	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-44.9	175.3	168.8	-113.9	0	0	0	111	I385 F396 L417 A418	I385-Y420 HydrophobicContact CG2-CE1 3.96Å; F396-Y420 HydrophobicContact CB-CD1 4.27Å; F396-Y420 HydrophobicContact CB-CD2 3.53Å; F396-Y420 HydrophobicContact CB-CE1 4.05Å; F396-Y420 HydrophobicContact CB-CE2 3.27Å; F396-Y420 HydrophobicContact CB-CG 4.03Å; F396-Y420 HydrophobicContact CD2-CD1 4.11Å; F396-Y420 HydrophobicContact CD2-CD2 4.13Å; F396-Y420 AromaticContact CD2-CG 3.85Å; F396-Y420 HydrophobicContact CD2-CG 3.85Å; F396-Y420 HydrophobicContact CG-CD1 4.43Å; F396-Y420 HydrophobicContact CG-CD2 4.3Å; F396-Y420 HydrophobicContact CG-CE1 4.47Å; F396-Y420 HydrophobicContact CG-CE2 4.35Å; F396-Y420 HydrophobicContact CG-CG 4.34Å; L417-Y420 PolarHBondContact O-N 3.1Å; A418-Y420 VanDerWaalsContact C-N 3.28Å; A418-Y420 PolarHBondContact O-N 3.22Å
421	N	70.9	Confident	78.1	Confident	65 Å²	65	68 Å²	68	35%	0.348	34%	0.338	S	S	.	.			trans	-149.2	118.2	178.7	-172.3	-23.6	0	0	0	109.9	L417 A418 K423 L424	L417-N421 PolarHBondContact O-N 3.21Å; A418-N421 WeakPolarHBondContact CA-O 3.37Å; A418-N421 CarbonylContact O-C 3.45Å; A418-N421 PolarHBondContact O-N 2.64Å; N421-K423 PolarHBondContact O-N 2.97Å; N421-K423 VanDerWaalsContact O-N 3.1Å; N421-K423 WeakPolarHBondContact OD1-CB 3.5Å; N421-K423 PolarHBondContact OD1-N 2.89Å; N421-L424 HydrophobicContact CB-CB 4.31Å; N421-L424 HydrophobicContact CB-CD1 4.1Å; N421-L424 HydrophobicContact CB-CG 4.23Å; N421-L424 CarbonylContact O-C 3.57Å; N421-L424 WeakPolarHBondContact O-CA 3.48Å; N421-L424 WeakPolarHBondContact O-CB 3.14Å; N421-L424 PolarHBondContact O-N 2.75Å
422	A	71.3	Confident	78	Confident	81 Å²	81	66.1 Å²	66.1	67%	0.669	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-56.8	-28.3	178.6	0	0	0	0	0	113.1	A418 L424	A418-A422 PolarHBondContact O-N 3.2Å; A422-L424 PolarHBondContact O-N 3.05Å
423	K	68.8	Low	77.8	Confident	174 Å²	174	65.9 Å²	65.9	76%	0.757	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-71.6	-6.1	173.7	-63.5	-178.3	176.9	179.6	0	113.6	K378 N421	K378-K423 VanDerWaalsContact NZ-C 3.26Å; K378-K423 PolarHBondContact NZ-O 2.97Å; N421-K423 PolarHBondContact O-N 2.97Å; N421-K423 VanDerWaalsContact O-N 3.1Å; N421-K423 WeakPolarHBondContact OD1-CB 3.5Å; N421-K423 PolarHBondContact OD1-N 2.89Å
424	L	73.1	Confident	77.2	Confident	12 Å²	12	64.5 Å²	64.5	6%	0.063	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-119.4	47.9	177.4	-62.1	175.5	0	0	0	110.8	K378 K383 I385 L417 A418 N421 A422 T426	K378-L424 HydrophobicContact CD-CD2 3.93Å; K378-L424 VanDerWaalsContact NZ-CA 3.33Å; K383-L424 HydrophobicContact CB-CD2 4.16Å; K383-L424 HydrophobicContact CD-CD2 4.4Å; K383-L424 HydrophobicContact CG-CD2 3.77Å; I385-L424 HydrophobicContact CD1-CD1 3.85Å; I385-L424 HydrophobicContact CG1-CD1 4.43Å; L417-L424 CarbonylContact C-O 3.43Å; L417-L424 HydrophobicContact CB-CB 4.19Å; L417-L424 VanDerWaalsContact CB-O 3.22Å; L417-L424 WeakPolarHBondContact CB-O 3.33Å; A418-L424 PolarHBondContact N-O 3.35Å; A418-L424 VanDerWaalsContact N-O 3.13Å; N421-L424 HydrophobicContact CB-CB 4.31Å; N421-L424 HydrophobicContact CB-CD1 4.1Å; N421-L424 HydrophobicContact CB-CG 4.23Å; N421-L424 CarbonylContact O-C 3.57Å; N421-L424 WeakPolarHBondContact O-CA 3.48Å; N421-L424 WeakPolarHBondContact O-CB 3.14Å; N421-L424 PolarHBondContact O-N 2.75Å; A422-L424 PolarHBondContact O-N 3.05Å; L424-T426 PolarHBondContact O-N 3.21Å
425	D	76.4	Confident	76.6	Confident	105 Å²	105	64 Å²	64	56%	0.561	32%	0.323	S	S	*	.			trans	-61.6	37.1	170.9	76.5	-13.4	0	0	0	117.2	K378 A418	K378-D425 WeakPolarHBondContact CE-OD1 3.22Å; K378-D425 IonicContact NZ-OD1 3.72Å; K378-D425 PolarHBondContact NZ-OD1 3.23Å; A418-D425 HydrophobicContact CB-CB 4.3Å
426	T	79.1	Confident	75.6	Confident	18 Å²	18	66.7 Å²	66.7	11%	0.11	34%	0.336	C	S	.	.			trans	-119.4	141.4	179.8	-77.1	0	0	0	0	109.4	L376 L417 L424	L376-T426 HydrophobicContact CD1-CG2 4.19Å; L376-T426 HydrophobicContact CD2-CG2 4.33Å; L417-T426 WeakPolarHBondContact CB-O 3.49Å; L417-T426 PolarHBondContact N-O 2.98Å; L424-T426 PolarHBondContact O-N 3.21Å
427	K	85.3	Confident	74.3	Confident	87 Å²	87	67.1 Å²	67.1	38%	0.378	33%	0.334	S	S	.	.			trans	-85.3	159	171.2	-62.6	-174.6	-177.5	-164.2	0	110	H414 L429	H414-K427 WeakPolarHBondContact O-CE 3.32Å; H414-K427 PolarHBondContact O-NZ 3.48Å; K427-L429 VanDerWaalsContact C-N 3.27Å; K427-L429 HydrophobicContact CB-CD2 3.95Å; K427-L429 HydrophobicContact CB-CG 4.07Å; K427-L429 PolarHBondContact O-N 3.17Å
428	L	86.3	Confident	72.7	Confident	2 Å²	2	73.7 Å²	73.7	1%	0.01	37%	0.369	C	S	.	.			trans	-74.2	83	168.9	-61.3	-175.6	0	0	0	109.3	F359 L374 L376 I409 Y412 R413 L417	F359-L428 HydrophobicContact CB-CD2 3.85Å; F359-L428 HydrophobicContact CD1-CB 3.69Å; F359-L428 HydrophobicContact CD1-CD2 4.02Å; F359-L428 HydrophobicContact CD1-CG 4.38Å; F359-L428 HydrophobicContact CD2-CB 4.47Å; F359-L428 HydrophobicContact CD2-CD1 4.29Å; F359-L428 HydrophobicContact CD2-CD2 4.15Å; F359-L428 HydrophobicContact CE1-CB 3.54Å; F359-L428 HydrophobicContact CE2-CB 4.35Å; F359-L428 HydrophobicContact CE2-CD1 4.26Å; F359-L428 HydrophobicContact CG-CB 4.16Å; F359-L428 HydrophobicContact CG-CD2 3.74Å; F359-L428 HydrophobicContact CG-CG 4.39Å; F359-L428 HydrophobicContact CZ-CB 3.89Å; L374-L428 HydrophobicContact CD1-CD2 4.41Å; L374-L428 HydrophobicContact CD2-CD1 4.3Å; L374-L428 HydrophobicContact CD2-CD2 4.29Å; L376-L428 HydrophobicContact CD1-CD2 3.89Å; L376-L428 HydrophobicContact CD2-CD2 4.43Å; I409-L428 HydrophobicContact CB-CD1 4.44Å; I409-L428 HydrophobicContact CD1-CD1 3.81Å; I409-L428 HydrophobicContact CG2-CD1 3.91Å; Y412-L428 WeakPolarHBondContact O-CB 3.2Å; Y412-L428 PolarHBondContact O-N 2.84Å; R413-L428 HydrophobicContact CG-CB 3.85Å; R413-L428 WeakPolarHBondContact CG-O 3.43Å; L417-L428 HydrophobicContact CD1-CD2 3.73Å; L417-L428 HydrophobicContact CD1-CG 4.16Å
429	L	82	Confident	71.7	Confident	88 Å²	88	72.3 Å²	72.3	46%	0.461	36%	0.356	S	S	.	.			trans	-86.4	-49.6	-170.3	-67.2	171.9	0	0	0	112.6	G357 K427 P431	G357-L429 PolarHBondContact O-N 2.9Å; K427-L429 VanDerWaalsContact C-N 3.27Å; K427-L429 HydrophobicContact CB-CD2 3.95Å; K427-L429 HydrophobicContact CB-CG 4.07Å; K427-L429 PolarHBondContact O-N 3.17Å; L429-P431 WeakPolarHBondContact O-CD 3.29Å
430	Y	84.5	Confident	70.9	Confident	126 Å²	126	76.2 Å²	76.2	49%	0.494	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	92.8	-169.7	-52.5	-69.2	0	0	0	110.2	P355 G357 T358 F359 I432	P355-Y430 HydrophobicContact CB-CE2 4.27Å; P355-Y430 HydrophobicContact CG-CD2 3.9Å; P355-Y430 HydrophobicContact CG-CE2 3.99Å; G357-Y430 PolarHBondContact O-N 3.39Å; T358-Y430 VanDerWaalsContact CA-O 3.26Å; T358-Y430 WeakPolarHBondContact CA-O 3.36Å; F359-Y430 PolarHBondContact N-O 2.79Å; Y430-I432 PolarHBondContact O-N 3.42Å
431	P	86.5	Confident	70.1	Confident	25 Å²	25	75.9 Å²	75.9	16%	0.162	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	128.8	173.6	26.2	-31.5	0	0	0	109.4	E336 W337 F359 L429 S433	E336-P431 HydrophobicContact CG-CB 4.27Å; E336-P431 WeakPolarHBondContact OE1-CG 3.32Å; W337-P431 HydrophobicContact CB-CB 3.89Å; W337-P431 HydrophobicContact CG-CB 4.48Å; F359-P431 HydrophobicContact CE1-CB 3.81Å; F359-P431 HydrophobicContact CE1-CG 4.41Å; F359-P431 HydrophobicContact CE2-CB 4.4Å; F359-P431 HydrophobicContact CZ-CB 3.69Å; L429-P431 WeakPolarHBondContact O-CD 3.29Å; P431-S433 PolarHBondContact O-N 2.97Å
432	I	81.5	Confident	69.5	Low	20 Å²	20	80.7 Å²	80.7	10%	0.103	40%	0.398	C	S	.	.			trans	-74.4	100.8	166.1	-64.8	-173.2	0	0	0	106.8	W339 K350 L351 T358 F359 L360 Y430	W339-I432 HydrophobicContact CZ2-CG2 3.71Å; W339-I432 PolarHBondContact NE1-O 3.3Å; K350-I432 HydrophobicContact CB-CD1 4.26Å; L351-I432 HydrophobicContact CD2-CD1 3.41Å; L351-I432 VanDerWaalsContact CD2-CD1 3.41Å; L351-I432 HydrophobicContact CD2-CG1 4.37Å; L351-I432 HydrophobicContact CG-CD1 3.81Å; T358-I432 HydrophobicContact CG2-CD1 3.57Å; T358-I432 HydrophobicContact CG2-CG1 3.38Å; F359-I432 PolarHBondContact O-N 3.05Å; L360-I432 HydrophobicContact CB-CB 4.3Å; L360-I432 HydrophobicContact CD2-CB 4.4Å; L360-I432 HydrophobicContact CD2-CD1 4.12Å; Y430-I432 PolarHBondContact O-N 3.42Å
433	S	79.6	Confident	69.7	Low	17 Å²	17	79 Å²	79	12%	0.119	38%	0.382	C	S	.	.			trans	-74.8	128.1	-178.8	175	0	0	0	0	110.5	E336 P431 F435 Q436	E336-S433 CarbonylContact O-C 3.57Å; E336-S433 VanDerWaalsContact O-CA 3.27Å; E336-S433 WeakPolarHBondContact O-CA 3.39Å; P431-S433 PolarHBondContact O-N 2.97Å; S433-F435 PolarHBondContact O-N 3.26Å; S433-F435 WeakPolarHBondContact OG-CB 3.42Å; S433-F435 PolarHBondContact OG-N 3.13Å; S433-F435 VanDerWaalsContact OG-N 3.09Å; S433-Q436 WeakPolarHBondContact O-CB 3.44Å; S433-Q436 PolarHBondContact O-N 3.15Å; S433-Q436 PolarHBondContact OG-N 3.19Å
434	K	70.9	Confident	70.1	Confident	46 Å²	46	73.9 Å²	73.9	20%	0.2	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-22.9	167	71.4	-171.9	-178.6	-169.4	0	112.5	N333 A335 E336 W339	N333-K434 PolarHBondContact O-NZ 3.39Å; A335-K434 VanDerWaalsContact O-CE 3.28Å; A335-K434 WeakPolarHBondContact O-CE 3.34Å; A335-K434 PolarHBondContact O-NZ 3.02Å; A335-K434 VanDerWaalsContact O-NZ 3.12Å; E336-K434 PolarHBondContact O-N 2.99Å; W339-K434 HydrophobicContact CD2-CB 4.37Å; W339-K434 HydrophobicContact CH2-CB 4.43Å; W339-K434 VanDerWaalsContact CZ2-CA 3.46Å; W339-K434 HydrophobicContact CZ2-CB 4.11Å
435	F	61.9	Low	70.4	Confident	129 Å²	129	77.1 Å²	77.1	57%	0.566	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	0.7	175.4	-48.1	-68.4	0	0	0	113	E336 S433 Q437	E336-F435 HydrophobicContact CB-CD2 4.07Å; E336-F435 HydrophobicContact CB-CE2 4.31Å; S433-F435 PolarHBondContact O-N 3.26Å; S433-F435 WeakPolarHBondContact OG-CB 3.42Å; S433-F435 PolarHBondContact OG-N 3.13Å; S433-F435 VanDerWaalsContact OG-N 3.09Å; F435-Q437 PolarHBondContact O-N 2.74Å
436	Q	56.1	Low	70.6	Confident	134 Å²	134	76.8 Å²	76.8	63%	0.626	37%	0.372	S	S	*	.			trans	-73.9	45.4	169.7	-161.5	160	8.8	0	0	110.9	S433	S433-Q436 WeakPolarHBondContact O-CB 3.44Å; S433-Q436 PolarHBondContact O-N 3.15Å; S433-Q436 PolarHBondContact OG-N 3.19Å
437	Q	53.1	Low	70.7	Confident	40 Å²	40	76 Å²	76	19%	0.187	37%	0.367	C	S	.	.			trans	-80.9	118.9	162.5	-74.2	170.6	-23.1	0	0	106.1	F435 V439	F435-Q437 PolarHBondContact O-N 2.74Å; Q437-V439 HydrophobicContact CB-CB 4.47Å; Q437-V439 PolarHBondContact O-N 2.79Å
438	L	47.7	Very low	70.6	Confident	139 Å²	139	71.8 Å²	71.8	73%	0.728	35%	0.349	S	S	*	.	S	Bend	trans	-59.8	-9.4	171	-97.1	131.7	0	0	0	113.2	K440	L438-K440 PolarHBondContact O-N 2.53Å
439	V	52.6	Low	70.5	Confident	12 Å²	12	77.4 Å²	77.4	7%	0.073	38%	0.375	C	S	.	.			trans	-76	92.5	179.3	-171.3	0	0	0	0	108.8	Q437 E441 V447 Y582 W585	Q437-V439 HydrophobicContact CB-CB 4.47Å; Q437-V439 PolarHBondContact O-N 2.79Å; V439-E441 HydrophobicContact CG1-CB 4.45Å; V439-E441 PolarHBondContact O-N 2.68Å; V439-V447 HydrophobicContact CG1-CB 4.09Å; V439-V447 HydrophobicContact CG1-CG1 3.71Å; V439-V447 HydrophobicContact CG1-CG2 3.17Å; V439-V447 HydrophobicContact CG2-CG1 4.38Å; V439-Y582 HydrophobicContact CG1-CE1 4.45Å; V439-Y582 HydrophobicContact CG2-CD1 4.13Å; V439-Y582 HydrophobicContact CG2-CD2 4.04Å; V439-Y582 HydrophobicContact CG2-CE1 3.95Å; V439-Y582 HydrophobicContact CG2-CE2 3.9Å; V439-Y582 HydrophobicContact CG2-CG 4.16Å; V439-W585 HydrophobicContact CB-CG 4.28Å; V439-W585 HydrophobicContact CG1-CD2 4.24Å; V439-W585 HydrophobicContact CG1-CG 4.39Å; V439-W585 HydrophobicContact CG1-CZ2 4.28Å; V439-W585 HydrophobicContact CG2-CB 4.34Å; V439-W585 HydrophobicContact CG2-CG 4.09Å
440	K	52.4	Low	70.6	Confident	199 Å²	199	76.3 Å²	76.3	87%	0.865	37%	0.367	S	S	*	.			trans	-76.5	4.4	176.3	-67.7	-174.1	178.2	179.5	0	113.5	L438	L438-K440 PolarHBondContact O-N 2.53Å
441	E	52.4	Low	70.8	Confident	74 Å²	74	70.3 Å²	70.3	35%	0.346	34%	0.344	S	S	.	.			trans	-104.2	130.4	-171.8	-72.5	165.8	-174.8	0	0	110.5	V439 S443 V447 W585	V439-E441 HydrophobicContact CG1-CB 4.45Å; V439-E441 PolarHBondContact O-N 2.68Å; E441-S443 VanDerWaalsContact C-N 3.33Å; E441-V447 HydrophobicContact CB-CG2 3.93Å; E441-W585 WeakPolarHBondContact O-CZ2 3.33Å
442	N	58.5	Low	70.8	Confident	166 Å²	166	74.4 Å²	74.4	89%	0.888	36%	0.359	S	S	*	.			trans	-85.9	-7.9	-177.5	-66.4	-35.5	0	0	0	112.4
443	S	74.3	Confident	71.2	Confident	46 Å²	46	76.4 Å²	76.4	32%	0.322	37%	0.372	S	S	.	.			trans	-97.1	123.8	-176.5	-174.5	0	0	0	0	111.8	E441 E445 E446 V447	E441-S443 VanDerWaalsContact C-N 3.33Å; S443-E445 PolarHBondContact O-N 3.07Å; S443-E446 WeakPolarHBondContact CB-OE2 3.19Å; S443-E446 PolarHBondContact O-N 2.77Å; S443-V447 VanDerWaalsContact O-CG2 3.27Å; S443-V447 WeakPolarHBondContact O-CG2 3.42Å; S443-V447 PolarHBondContact O-N 3.44Å
444	I	77.2	Confident	71.6	Confident	66 Å²	66	78.2 Å²	78.2	34%	0.338	38%	0.377	S	S	.	.	H	α-helix	trans	-60.7	-28.7	177.5	-62.9	169.2	0	0	0	111.8	G448 W585 L586 K589 T591 W599	I444-G448 PolarHBondContact O-N 3.06Å; I444-W585 HydrophobicContact CB-CZ3 4.42Å; I444-W585 HydrophobicContact CG1-CH2 4.1Å; I444-W585 HydrophobicContact CG1-CZ3 4.04Å; I444-L586 HydrophobicContact CG2-CD2 3.94Å; I444-K589 HydrophobicContact CD1-CB 4.2Å; I444-K589 HydrophobicContact CG1-CB 4.34Å; I444-T591 HydrophobicContact CG2-CG2 4.19Å; I444-T591 WeakPolarHBondContact CG2-OG1 3.42Å; I444-W599 HydrophobicContact CG2-CH2 4.3Å; I444-W599 WeakPolarHBondContact O-CH2 3.39Å
445	E	79.7	Confident	72.5	Confident	80 Å²	80	77.2 Å²	77.2	37%	0.374	37%	0.373	S	S	.	.	H	α-helix	trans	-72.7	-47.3	179.3	-154.8	68.9	-147.4	0	0	112.5	S443 V447 G448 E449 K595	S443-E445 PolarHBondContact O-N 3.07Å; E445-V447 VanDerWaalsContact C-N 3.31Å; E445-V447 PolarHBondContact O-N 3.14Å; E445-G448 WeakPolarHBondContact O-CA 3.13Å; E445-G448 PolarHBondContact O-N 3.21Å; E445-E449 PolarHBondContact O-N 3.34Å; E445-K595 IonicContact OE1-NZ 3.68Å; E445-K595 PolarHBondContact OE1-NZ 3.19Å; E445-K595 IonicContact OE2-NZ 3.34Å; E445-K595 PolarHBondContact OE2-NZ 3.06Å
446	E	81.3	Confident	73.8	Confident	99 Å²	99	76.6 Å²	76.6	46%	0.463	37%	0.371	S	S	.	.	H	α-helix	trans	-62.6	-41.8	-178.7	-66.2	173.1	165.9	0	0	110.4	S443 G448 E449 Q450	S443-E446 WeakPolarHBondContact CB-OE2 3.19Å; S443-E446 PolarHBondContact O-N 2.77Å; E446-G448 VanDerWaalsContact C-N 3.28Å; E446-G448 PolarHBondContact O-N 3.44Å; E446-E449 PolarHBondContact O-N 3.37Å; E446-Q450 WeakPolarHBondContact O-CB 3.26Å; E446-Q450 PolarHBondContact O-N 3.1Å
447	V	81.5	Confident	75.5	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-64.5	-34.9	175.4	-178	0	0	0	0	111.7	V439 E441 S443 E445 L451 Y582 W585 L586	V439-V447 HydrophobicContact CG1-CB 4.09Å; V439-V447 HydrophobicContact CG1-CG1 3.71Å; V439-V447 HydrophobicContact CG1-CG2 3.17Å; V439-V447 HydrophobicContact CG2-CG1 4.38Å; E441-V447 HydrophobicContact CB-CG2 3.93Å; S443-V447 VanDerWaalsContact O-CG2 3.27Å; S443-V447 WeakPolarHBondContact O-CG2 3.42Å; S443-V447 PolarHBondContact O-N 3.44Å; E445-V447 VanDerWaalsContact C-N 3.31Å; E445-V447 PolarHBondContact O-N 3.14Å; V447-L451 WeakPolarHBondContact O-CB 3.46Å; V447-L451 PolarHBondContact O-N 3.28Å; V447-Y582 HydrophobicContact CG1-CD1 3.49Å; V447-Y582 VanDerWaalsContact CG1-CD1 3.49Å; V447-Y582 HydrophobicContact CG1-CE1 3.87Å; V447-Y582 HydrophobicContact CG1-CG 4.44Å; V447-Y582 WeakPolarHBondContact O-CD1 3.18Å; V447-W585 HydrophobicContact CB-CE3 4.05Å; V447-W585 HydrophobicContact CB-CH2 4.23Å; V447-W585 HydrophobicContact CB-CZ3 3.77Å; V447-W585 HydrophobicContact CG1-CD2 4.03Å; V447-W585 HydrophobicContact CG1-CE3 3.54Å; V447-W585 HydrophobicContact CG1-CZ3 3.82Å; V447-W585 HydrophobicContact CG2-CE3 4.23Å; V447-W585 HydrophobicContact CG2-CH2 3.73Å; V447-W585 HydrophobicContact CG2-CZ2 4.11Å; V447-W585 HydrophobicContact CG2-CZ3 3.79Å; V447-L586 HydrophobicContact CB-CD2 4.36Å; V447-L586 HydrophobicContact CG1-CD2 4.14Å; V447-L586 HydrophobicContact CG1-CG 4.2Å
448	G	82.9	Confident	77.3	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-68.9	-43.8	174.8	0	0	0	0	0	113.7	I444 E445 E446 Q450 L451 K452 W599	I444-G448 PolarHBondContact O-N 3.06Å; E445-G448 WeakPolarHBondContact O-CA 3.13Å; E445-G448 PolarHBondContact O-N 3.21Å; E446-G448 VanDerWaalsContact C-N 3.28Å; E446-G448 PolarHBondContact O-N 3.44Å; G448-Q450 VanDerWaalsContact C-N 3.33Å; G448-Q450 PolarHBondContact O-N 3.05Å; G448-L451 WeakPolarHBondContact O-CB 3.08Å; G448-L451 PolarHBondContact O-N 2.94Å; G448-K452 PolarHBondContact O-N 3.09Å; G448-W599 VanDerWaalsContact CA-CD2 3.49Å
449	E	84.8	Confident	79.4	Confident	120 Å²	120	71.3 Å²	71.3	56%	0.561	34%	0.341	S	S	*	.	H	α-helix	trans	-62.9	-41.1	173.7	-71.3	-172.4	166.6	0	0	111.5	E445 E446 K452 V453	E445-E449 PolarHBondContact O-N 3.34Å; E446-E449 PolarHBondContact O-N 3.37Å; E449-K452 WeakPolarHBondContact O-CB 3.42Å; E449-K452 PolarHBondContact O-N 2.68Å; E449-V453 PolarHBondContact O-N 3.41Å; E449-V453 VanDerWaalsContact O-N 3.11Å
450	Q	83.3	Confident	81.3	Confident	64 Å²	64	76.6 Å²	76.6	30%	0.299	37%	0.365	S	S	.	.	H	α-helix	trans	-68.7	-36.2	177.7	-162.2	70	-5.2	0	0	112.1	E446 G448 K452 V453 Y454 Y582	E446-Q450 WeakPolarHBondContact O-CB 3.26Å; E446-Q450 PolarHBondContact O-N 3.1Å; G448-Q450 VanDerWaalsContact C-N 3.33Å; G448-Q450 PolarHBondContact O-N 3.05Å; Q450-K452 VanDerWaalsContact C-N 3.31Å; Q450-K452 PolarHBondContact O-N 2.99Å; Q450-V453 PolarHBondContact O-N 2.94Å; Q450-Y454 HydrophobicContact CG-CD2 3.93Å; Q450-Y454 HydrophobicContact CG-CE2 3.52Å; Q450-Y454 WeakPolarHBondContact O-CD2 3.16Å; Q450-Y454 PolarHBondContact O-N 2.85Å; Q450-Y582 HydrophobicContact CB-CE1 3.82Å; Q450-Y582 HydrophobicContact CG-CE1 3.84Å
451	L	87.8	Confident	83.2	Confident	0 Å²	0	70 Å²	70	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-58.5	-44	169.9	171.9	65.7	0	0	0	110.9	V447 G448 V453 Y454 H455 R579 Y582 L583 L586	V447-L451 WeakPolarHBondContact O-CB 3.46Å; V447-L451 PolarHBondContact O-N 3.28Å; G448-L451 WeakPolarHBondContact O-CB 3.08Å; G448-L451 PolarHBondContact O-N 2.94Å; L451-V453 PolarHBondContact O-N 3.35Å; L451-Y454 PolarHBondContact O-N 3.41Å; L451-H455 WeakPolarHBondContact O-CB 3.19Å; L451-H455 PolarHBondContact O-N 2.84Å; L451-R579 HydrophobicContact CD1-CG 3.8Å; L451-Y582 HydrophobicContact CB-CD1 4.35Å; L451-L583 HydrophobicContact CD1-CD2 4.32Å; L451-L583 HydrophobicContact CD1-CG 4.08Å; L451-L583 HydrophobicContact CD2-CD2 3.65Å; L451-L583 HydrophobicContact CD2-CG 4.25Å; L451-L586 HydrophobicContact CB-CD1 4.4Å; L451-L586 HydrophobicContact CD2-CD1 3.51Å
452	K	87.5	Confident	85.1	Confident	112 Å²	112	67.8 Å²	67.8	49%	0.487	33%	0.329	S	S	.	.	H	α-helix	trans	-59.1	-46.5	178.2	-179.6	-178.2	176.6	-176.5	0	111.5	G448 E449 Q450 H455 E456 W599	G448-K452 PolarHBondContact O-N 3.09Å; E449-K452 WeakPolarHBondContact O-CB 3.42Å; E449-K452 PolarHBondContact O-N 2.68Å; Q450-K452 VanDerWaalsContact C-N 3.31Å; Q450-K452 PolarHBondContact O-N 2.99Å; K452-H455 PolarHBondContact O-N 3.14Å; K452-E456 WeakPolarHBondContact O-CB 2.82Å; K452-E456 PolarHBondContact O-N 3.36Å; K452-W599 HydrophobicContact CB-CB 4.38Å
453	V	89.4	Confident	86.8	Confident	61 Å²	61	66.6 Å²	66.6	37%	0.37	31%	0.313	S	S	.	.	H	α-helix	trans	-61.9	-47.9	178	175.2	0	0	0	0	111.4	E449 Q450 L451 H455 E456 Q457	E449-V453 PolarHBondContact O-N 3.41Å; E449-V453 VanDerWaalsContact O-N 3.11Å; Q450-V453 PolarHBondContact O-N 2.94Å; L451-V453 PolarHBondContact O-N 3.35Å; V453-H455 VanDerWaalsContact C-N 3.31Å; V453-H455 PolarHBondContact O-N 3.27Å; V453-E456 PolarHBondContact O-N 3.49Å; V453-Q457 WeakPolarHBondContact O-CG 3.06Å; V453-Q457 PolarHBondContact O-N 2.87Å
454	Y	87.9	Confident	87.8	Confident	55 Å²	55	69 Å²	69	22%	0.216	32%	0.319	C	S	.	.	H	α-helix	trans	-66.4	-34.2	178.2	-74.2	-54.1	0	0	0	112.7	Q450 L451 Y458 L575 I578 Y582	Q450-Y454 HydrophobicContact CG-CD2 3.93Å; Q450-Y454 HydrophobicContact CG-CE2 3.52Å; Q450-Y454 WeakPolarHBondContact O-CD2 3.16Å; Q450-Y454 PolarHBondContact O-N 2.85Å; L451-Y454 PolarHBondContact O-N 3.41Å; Y454-Y458 WeakPolarHBondContact O-CB 3.48Å; Y454-Y458 PolarHBondContact O-N 3.38Å; Y454-L575 HydrophobicContact CD1-CD2 3.97Å; Y454-I578 HydrophobicContact CD1-CG2 4.24Å; Y454-I578 HydrophobicContact CD2-CG2 3.71Å; Y454-I578 HydrophobicContact CE1-CG2 4.35Å; Y454-I578 HydrophobicContact CE2-CG2 3.8Å; Y454-I578 HydrophobicContact CG-CG2 3.95Å; Y454-Y582 HydrophobicContact CD2-CE2 4.26Å; Y454-Y582 HydrophobicContact CE2-CE2 4.04Å; Y454-Y582 AromaticContact CE2-CZ 3.92Å
455	H	89.7	Confident	88.7	Confident	25 Å²	25	68.1 Å²	68.1	12%	0.116	31%	0.311	C	S	.	.	H	α-helix	trans	-65.8	-45.2	175.2	-176	71.7	0	0	0	111.6	L451 K452 V453 Y458 Q459 L600	L451-H455 WeakPolarHBondContact O-CB 3.19Å; L451-H455 PolarHBondContact O-N 2.84Å; K452-H455 PolarHBondContact O-N 3.14Å; V453-H455 VanDerWaalsContact C-N 3.31Å; V453-H455 PolarHBondContact O-N 3.27Å; H455-Y458 WeakPolarHBondContact O-CB 3.38Å; H455-Y458 PolarHBondContact O-N 3.44Å; H455-Q459 PolarHBondContact NE2-NE2 3.08Å; H455-Q459 WeakPolarHBondContact O-CG 3.49Å; H455-Q459 PolarHBondContact O-N 3.48Å; H455-L600 HydrophobicContact CB-CD2 4.41Å; H455-L600 PolarHBondContact CD2-O 2.88Å; H455-L600 VanDerWaalsContact CD2-O 3.25Å; H455-L600 WeakPolarHBondContact ND1-CD2 3.46Å; H455-L600 PolarHBondContact NE2-O 3Å
456	E	90.1	Very high	89.4	Confident	116 Å²	116	68.2 Å²	68.2	54%	0.542	31%	0.314	S	S	.	.	H	α-helix	trans	-62.5	-45.4	177.1	-173.9	169	-160.8	0	0	111.7	K452 V453 Y458 Q459 E460	K452-E456 WeakPolarHBondContact O-CB 2.82Å; K452-E456 PolarHBondContact O-N 3.36Å; V453-E456 PolarHBondContact O-N 3.49Å; E456-Y458 VanDerWaalsContact C-N 3.34Å; E456-Y458 PolarHBondContact O-N 3.43Å; E456-Q459 PolarHBondContact O-N 3.1Å; E456-E460 PolarHBondContact O-N 3.4Å
457	Q	90.6	Very high	90.1	Very high	82 Å²	82	66.9 Å²	66.9	38%	0.383	32%	0.316	S	S	.	.	H	α-helix	trans	-60.8	-40.9	174.3	-72.2	176.5	2.5	0	0	112.7	V453 K461 L575	V453-Q457 WeakPolarHBondContact O-CG 3.06Å; V453-Q457 PolarHBondContact O-N 2.87Å; Q457-K461 PolarHBondContact O-N 2.9Å; Q457-L575 HydrophobicContact CB-CD1 4.31Å; Q457-L575 HydrophobicContact CB-CD2 4.3Å
458	Y	91.9	Very high	90.7	Very high	51 Å²	51	67.8 Å²	67.8	20%	0.2	32%	0.321	C	S	.	.	H	α-helix	trans	-61.9	-46.6	174.6	170.5	-92.5	0	0	0	111.1	Y454 H455 E456 E460 K461 S462 L572 L575 R576	Y454-Y458 WeakPolarHBondContact O-CB 3.48Å; Y454-Y458 PolarHBondContact O-N 3.38Å; H455-Y458 WeakPolarHBondContact O-CB 3.38Å; H455-Y458 PolarHBondContact O-N 3.44Å; E456-Y458 VanDerWaalsContact C-N 3.34Å; E456-Y458 PolarHBondContact O-N 3.43Å; Y458-E460 PolarHBondContact O-N 3.41Å; Y458-K461 PolarHBondContact O-N 3.18Å; Y458-S462 VanDerWaalsContact O-CB 3.25Å; Y458-S462 WeakPolarHBondContact O-CB 3.4Å; Y458-S462 PolarHBondContact O-N 2.97Å; Y458-L572 HydrophobicContact CD2-CD2 3.92Å; Y458-L572 HydrophobicContact CE2-CD2 3.81Å; Y458-L575 HydrophobicContact CD2-CB 4.16Å; Y458-R576 HydrophobicContact CD2-CB 4.22Å; Y458-R576 HydrophobicContact CE2-CB 3.87Å
459	Q	91	Very high	91.3	Very high	70 Å²	70	73.4 Å²	73.4	33%	0.327	34%	0.343	S	S	.	.	H	α-helix	trans	-62.7	-42.7	179	-73.7	-169.4	-0.6	0	0	112.1	H455 E456 S462 R463	H455-Q459 PolarHBondContact NE2-NE2 3.08Å; H455-Q459 WeakPolarHBondContact O-CG 3.49Å; H455-Q459 PolarHBondContact O-N 3.48Å; E456-Q459 PolarHBondContact O-N 3.1Å; Q459-S462 PolarHBondContact O-N 2.96Å; Q459-R463 WeakPolarHBondContact O-CG 3.43Å; Q459-R463 PolarHBondContact O-N 2.87Å
460	E	92.8	Very high	91.8	Very high	123 Å²	123	73.4 Å²	73.4	58%	0.575	34%	0.343	S	S	*	.	H	α-helix	trans	-61.4	-51.3	178	-173.8	178.3	-162.6	0	0	111.3	E456 Y458 S462 R463 E464	E456-E460 PolarHBondContact O-N 3.4Å; Y458-E460 PolarHBondContact O-N 3.41Å; E460-S462 VanDerWaalsContact C-N 3.26Å; E460-S462 PolarHBondContact O-N 3.16Å; E460-R463 PolarHBondContact O-N 3.43Å; E460-E464 PolarHBondContact O-N 3.01Å
461	K	92.3	Very high	92.4	Very high	59 Å²	59	75 Å²	75	26%	0.257	35%	0.35	S	S	.	.	H	α-helix	trans	-64	-30.9	176.2	-70.8	-162.3	-178.3	-179.6	0	113	Q457 Y458 Y465 L568 D571 L572 L575	Q457-K461 PolarHBondContact O-N 2.9Å; Y458-K461 PolarHBondContact O-N 3.18Å; K461-Y465 WeakPolarHBondContact O-CB 3.47Å; K461-Y465 PolarHBondContact O-N 2.73Å; K461-L568 HydrophobicContact CD-CD2 4.33Å; K461-D571 HydrophobicContact CD-CB 4.09Å; K461-D571 IonicContact NZ-OD2 3.65Å; K461-D571 PolarHBondContact NZ-OD2 3.29Å; K461-L572 HydrophobicContact CB-CD2 4.02Å; K461-L572 HydrophobicContact CB-CG 4.23Å; K461-L575 HydrophobicContact CD-CD1 3.76Å; K461-L575 HydrophobicContact CG-CD1 4.38Å
462	S	92.9	Very high	92.7	Very high	29 Å²	29	78.4 Å²	78.4	20%	0.203	36%	0.364	C	S	.	.	H	α-helix	trans	-68	-46	176.1	-168.6	0	0	0	0	110.3	Y458 Q459 E460 E464 Y465 D466	Y458-S462 VanDerWaalsContact O-CB 3.25Å; Y458-S462 WeakPolarHBondContact O-CB 3.4Å; Y458-S462 PolarHBondContact O-N 2.97Å; Q459-S462 PolarHBondContact O-N 2.96Å; E460-S462 VanDerWaalsContact C-N 3.26Å; E460-S462 PolarHBondContact O-N 3.16Å; S462-E464 VanDerWaalsContact C-N 3.32Å; S462-E464 PolarHBondContact O-N 2.85Å; S462-Y465 WeakPolarHBondContact O-CB 3.1Å; S462-Y465 PolarHBondContact O-N 2.97Å; S462-D466 PolarHBondContact O-N 2.96Å
463	R	94.9	Very high	93	Very high	141 Å²	141	75.4 Å²	75.4	53%	0.532	36%	0.355	S	S	.	.	H	α-helix	trans	-61.2	-40.4	174.9	-73.7	-173.9	-66.8	-99.5	0.2	112.1	Q459 E460 D466 S467	Q459-R463 WeakPolarHBondContact O-CG 3.43Å; Q459-R463 PolarHBondContact O-N 2.87Å; E460-R463 PolarHBondContact O-N 3.43Å; R463-D466 PolarHBondContact O-N 3.26Å; R463-S467 WeakPolarHBondContact O-CB 3.46Å; R463-S467 PolarHBondContact O-N 3.02Å
464	E	94.6	Very high	93.3	Very high	96 Å²	96	79.7 Å²	79.7	45%	0.449	36%	0.364	S	S	.	.	H	α-helix	trans	-61.6	-45.4	174.6	-173	-177.7	-177.4	0	0	111.3	E460 S462 S467 L468 L568	E460-E464 PolarHBondContact O-N 3.01Å; S462-E464 VanDerWaalsContact C-N 3.32Å; S462-E464 PolarHBondContact O-N 2.85Å; E464-S467 PolarHBondContact O-N 3.12Å; E464-L468 HydrophobicContact CG-CD1 4.28Å; E464-L468 WeakPolarHBondContact O-CG 3.36Å; E464-L468 PolarHBondContact O-N 3.43Å; E464-L568 HydrophobicContact CG-CD1 3.96Å
465	Y	95.8	Very high	93.5	Very high	48 Å²	48	77.7 Å²	77.7	19%	0.188	36%	0.358	C	S	.	.	H	α-helix	trans	-61.4	-45.3	175.8	-178.6	-87.7	0	0	0	112.2	K461 S462 S467 L468 Y469 M565 K569 L572	K461-Y465 WeakPolarHBondContact O-CB 3.47Å; K461-Y465 PolarHBondContact O-N 2.73Å; S462-Y465 WeakPolarHBondContact O-CB 3.1Å; S462-Y465 PolarHBondContact O-N 2.97Å; Y465-S467 PolarHBondContact O-N 3.26Å; Y465-L468 PolarHBondContact O-N 2.76Å; Y465-Y469 WeakPolarHBondContact O-CB 3.25Å; Y465-Y469 PolarHBondContact O-N 2.93Å; Y465-M565 HydrophobicContact CD2-CB 4.44Å; Y465-M565 HydrophobicContact CD2-CG 3.91Å; Y465-M565 HydrophobicContact CE2-CB 4.05Å; Y465-M565 HydrophobicContact CE2-CE 4.27Å; Y465-M565 HydrophobicContact CE2-CG 3.7Å; Y465-M565 HydrophobicContact CE2-SD 4.48Å; Y465-K569 HydrophobicContact CE2-CD 4.49Å; Y465-K569 HydrophobicContact CE2-CG 3.8Å; Y465-K569 WeakPolarHBondContact OH-CE 3.16Å; Y465-L572 HydrophobicContact CD2-CD1 4.09Å; Y465-L572 HydrophobicContact CG-CD1 3.9Å
466	D	94.6	Very high	93.6	Very high	81 Å²	81	79 Å²	79	43%	0.433	37%	0.37	S	S	.	.	H	α-helix	trans	-61.9	-44	178.8	-65.4	-25.8	0	0	0	110.9	S462 R463 L468 Y469 E470	S462-D466 PolarHBondContact O-N 2.96Å; R463-D466 PolarHBondContact O-N 3.26Å; D466-L468 PolarHBondContact O-N 3.49Å; D466-Y469 PolarHBondContact O-N 3.01Å; D466-E470 WeakPolarHBondContact O-CG 3.34Å; D466-E470 PolarHBondContact O-N 3.22Å
467	S	95.4	Very high	93.8	Very high	72 Å²	72	79.9 Å²	79.9	50%	0.503	37%	0.374	S	S	.	.	H	α-helix	trans	-61.1	-44	174.9	-174.5	0	0	0	0	112.5	R463 E464 Y465 Y469 E470 E471	R463-S467 WeakPolarHBondContact O-CB 3.46Å; R463-S467 PolarHBondContact O-N 3.02Å; E464-S467 PolarHBondContact O-N 3.12Å; Y465-S467 PolarHBondContact O-N 3.26Å; S467-Y469 VanDerWaalsContact C-N 3.3Å; S467-Y469 PolarHBondContact O-N 3.14Å; S467-E470 PolarHBondContact O-N 2.97Å; S467-E471 PolarHBondContact O-N 3.27Å
468	L	94.9	Very high	93.9	Very high	19 Å²	19	79.8 Å²	79.8	10%	0.099	37%	0.373	C	S	.	.	H	α-helix	trans	-65.6	-35.3	176.7	-72.7	170.5	0	0	0	111.6	E464 Y465 D466 E471 Y472 I561 K564 M565 L568	E464-L468 HydrophobicContact CG-CD1 4.28Å; E464-L468 WeakPolarHBondContact O-CG 3.36Å; E464-L468 PolarHBondContact O-N 3.43Å; Y465-L468 PolarHBondContact O-N 2.76Å; D466-L468 PolarHBondContact O-N 3.49Å; L468-E471 PolarHBondContact O-N 2.82Å; L468-Y472 VanDerWaalsContact O-CB 3.29Å; L468-Y472 WeakPolarHBondContact O-CB 3.28Å; L468-Y472 PolarHBondContact O-N 3.02Å; L468-I561 HydrophobicContact CB-CG2 4.25Å; L468-I561 HydrophobicContact CD2-CG2 4.25Å; L468-I561 WeakPolarHBondContact O-CG2 3.44Å; L468-K564 HydrophobicContact CD1-CB 3.94Å; L468-K564 HydrophobicContact CD2-CD 4.46Å; L468-M565 HydrophobicContact CB-CG 3.94Å; L468-M565 HydrophobicContact CB-SD 4.45Å; L468-L568 HydrophobicContact CD1-CD1 3.55Å
469	Y	95.6	Very high	94	Very high	118 Å²	118	77.7 Å²	77.7	46%	0.463	37%	0.366	S	S	.	.	H	α-helix	trans	-69.3	-40.4	178	-172.8	-97.2	0	0	0	112.1	Y465 D466 S467 Y472 T473 M565	Y465-Y469 WeakPolarHBondContact O-CB 3.25Å; Y465-Y469 PolarHBondContact O-N 2.93Å; D466-Y469 PolarHBondContact O-N 3.01Å; S467-Y469 VanDerWaalsContact C-N 3.3Å; S467-Y469 PolarHBondContact O-N 3.14Å; Y469-Y472 PolarHBondContact O-N 2.85Å; Y469-T473 HydrophobicContact CD1-CG2 4.28Å; Y469-T473 HydrophobicContact CE1-CG2 3.88Å; Y469-T473 WeakPolarHBondContact O-CG2 3.43Å; Y469-T473 PolarHBondContact O-N 2.93Å; Y469-T473 PolarHBondContact O-OG1 3.38Å; Y469-M565 HydrophobicContact CD2-CE 3.96Å; Y469-M565 HydrophobicContact CD2-SD 4.1Å
470	E	95.9	Very high	94.1	Very high	120 Å²	120	79.3 Å²	79.3	56%	0.561	37%	0.373	S	S	*	.	H	α-helix	trans	-61.2	-43.3	171.3	-73.3	-178	-173.2	0	0	112	D466 S467 T473 R474	D466-E470 WeakPolarHBondContact O-CG 3.34Å; D466-E470 PolarHBondContact O-N 3.22Å; S467-E470 PolarHBondContact O-N 2.97Å; E470-T473 WeakPolarHBondContact CA-OG1 3.47Å; E470-T473 PolarHBondContact O-OG1 2.93Å; E470-R474 WeakPolarHBondContact O-CB 3.35Å; E470-R474 PolarHBondContact O-N 2.83Å
471	E	94.4	Very high	94.2	Very high	97 Å²	97	79.9 Å²	79.9	45%	0.453	38%	0.378	S	S	.	.	H	α-helix	trans	-66.2	-41.9	177.2	-165.8	-179.5	-177.4	0	0	111.8	S467 L468 R474 T475 I561	S467-E471 PolarHBondContact O-N 3.27Å; L468-E471 PolarHBondContact O-N 2.82Å; E471-R474 PolarHBondContact O-N 3.47Å; E471-T475 VanDerWaalsContact O-CB 3.24Å; E471-T475 WeakPolarHBondContact O-CB 3.13Å; E471-T475 PolarHBondContact O-N 2.59Å; E471-T475 PolarHBondContact O-OG1 2.87Å; E471-I561 HydrophobicContact CB-CD1 4.29Å; E471-I561 HydrophobicContact CG-CD1 3.74Å
472	Y	94.7	Very high	94.3	Very high	71 Å²	71	79.4 Å²	79.4	28%	0.278	38%	0.376	S	S	.	.	H	α-helix	trans	-59.5	-49.3	175.7	176.4	-95.5	0	0	0	111.7	L468 Y469 T475 S476 N558 I561 D562	L468-Y472 VanDerWaalsContact O-CB 3.29Å; L468-Y472 WeakPolarHBondContact O-CB 3.28Å; L468-Y472 PolarHBondContact O-N 3.02Å; Y469-Y472 PolarHBondContact O-N 2.85Å; Y472-T475 PolarHBondContact O-N 2.89Å; Y472-S476 VanDerWaalsContact O-CB 3.28Å; Y472-S476 WeakPolarHBondContact O-CB 3.34Å; Y472-S476 PolarHBondContact O-N 3.42Å; Y472-N558 WeakPolarHBondContact CD2-OD1 3.21Å; Y472-I561 HydrophobicContact CD2-CG2 4.42Å; Y472-D562 HydrophobicContact CE2-CB 4.31Å
473	T	93.9	Very high	94.3	Very high	49 Å²	49	83.7 Å²	83.7	30%	0.301	39%	0.387	S	S	.	.	H	α-helix	trans	-65.5	-42.2	-178.8	49.7	0	0	0	0	111.6	Y469 E470 S476 Q477	Y469-T473 HydrophobicContact CD1-CG2 4.28Å; Y469-T473 HydrophobicContact CE1-CG2 3.88Å; Y469-T473 WeakPolarHBondContact O-CG2 3.43Å; Y469-T473 PolarHBondContact O-N 2.93Å; Y469-T473 PolarHBondContact O-OG1 3.38Å; E470-T473 WeakPolarHBondContact CA-OG1 3.47Å; E470-T473 PolarHBondContact O-OG1 2.93Å; T473-S476 PolarHBondContact O-N 2.89Å; T473-Q477 WeakPolarHBondContact O-CG 3.33Å; T473-Q477 PolarHBondContact O-N 2.84Å; T473-Q477 VanDerWaalsContact O-N 3.09Å
474	R	94.5	Very high	94.4	Very high	151 Å²	151	80.6 Å²	80.6	57%	0.57	38%	0.384	S	S	*	.	H	α-helix	trans	-59.3	-51.8	172.9	-174.4	-174.1	-55.9	-177.5	4.7	111.7	E470 E471 S476 Q477 E478	E470-R474 WeakPolarHBondContact O-CB 3.35Å; E470-R474 PolarHBondContact O-N 2.83Å; E471-R474 PolarHBondContact O-N 3.47Å; R474-S476 VanDerWaalsContact C-N 3.28Å; R474-S476 PolarHBondContact O-N 3.06Å; R474-Q477 PolarHBondContact O-N 2.97Å; R474-Q477 VanDerWaalsContact O-N 3.13Å; R474-E478 PolarHBondContact O-N 3.39Å
475	T	92.4	Very high	94.4	Very high	13 Å²	13	77.7 Å²	77.7	8%	0.08	38%	0.377	C	S	.	.	H	α-helix	trans	-60.6	-38.7	179.7	-58.2	0	0	0	0	111.4	E471 Y472 E478 L479 Q554 N558	E471-T475 VanDerWaalsContact O-CB 3.24Å; E471-T475 WeakPolarHBondContact O-CB 3.13Å; E471-T475 PolarHBondContact O-N 2.59Å; E471-T475 PolarHBondContact O-OG1 2.87Å; Y472-T475 PolarHBondContact O-N 2.89Å; T475-E478 PolarHBondContact O-N 3.15Å; T475-L479 HydrophobicContact CG2-CD1 4.14Å; T475-L479 WeakPolarHBondContact O-CB 3.45Å; T475-L479 VanDerWaalsContact O-CG 3.25Å; T475-L479 WeakPolarHBondContact O-CG 3.49Å; T475-L479 PolarHBondContact O-N 3.4Å; T475-Q554 HydrophobicContact CG2-CG 3.53Å; T475-N558 HydrophobicContact CG2-CB 3.77Å
476	S	93.2	Very high	94.3	Very high	52 Å²	52	76.2 Å²	76.2	36%	0.364	37%	0.372	S	S	.	.	H	α-helix	trans	-64.9	-38.3	176.4	-170.9	0	0	0	0	112.8	Y472 T473 R474 Q480	Y472-S476 VanDerWaalsContact O-CB 3.28Å; Y472-S476 WeakPolarHBondContact O-CB 3.34Å; Y472-S476 PolarHBondContact O-N 3.42Å; T473-S476 PolarHBondContact O-N 2.89Å; R474-S476 VanDerWaalsContact C-N 3.28Å; R474-S476 PolarHBondContact O-N 3.06Å; S476-Q480 PolarHBondContact O-N 2.92Å; S476-Q480 VanDerWaalsContact O-N 3.15Å
477	Q	94.3	Very high	94.3	Very high	135 Å²	135	78 Å²	78	63%	0.631	38%	0.378	S	S	*	.	H	α-helix	trans	-67.3	-45.6	174.7	-70.5	173.9	5.3	0	0	111.1	T473 R474 L479 Q480 M481	T473-Q477 WeakPolarHBondContact O-CG 3.33Å; T473-Q477 PolarHBondContact O-N 2.84Å; T473-Q477 VanDerWaalsContact O-N 3.09Å; R474-Q477 PolarHBondContact O-N 2.97Å; R474-Q477 VanDerWaalsContact O-N 3.13Å; Q477-L479 VanDerWaalsContact C-N 3.33Å; Q477-L479 PolarHBondContact O-N 2.83Å; Q477-Q480 WeakPolarHBondContact O-CB 3.37Å; Q477-Q480 PolarHBondContact O-N 3.11Å; Q477-Q480 VanDerWaalsContact O-N 3.12Å; Q477-M481 WeakPolarHBondContact O-CG 3.46Å; Q477-M481 PolarHBondContact O-N 3.2Å
478	E	92.7	Very high	94.2	Very high	80 Å²	80	77.2 Å²	77.2	37%	0.374	38%	0.375	S	S	.	.	H	α-helix	trans	-60.7	-41	176.4	-71.1	-179.7	-164.1	0	0	112.3	R474 T475 Q480 M481 K482 Q554	R474-E478 PolarHBondContact O-N 3.39Å; T475-E478 PolarHBondContact O-N 3.15Å; E478-Q480 VanDerWaalsContact C-N 3.3Å; E478-Q480 PolarHBondContact O-N 3.47Å; E478-M481 PolarHBondContact O-N 3.13Å; E478-K482 WeakPolarHBondContact O-CG 3.33Å; E478-K482 PolarHBondContact O-N 3.46Å; E478-Q554 PolarHBondContact OE2-NE2 2.86Å
479	L	92.5	Very high	94.2	Very high	7 Å²	7	79.5 Å²	79.5	4%	0.037	38%	0.384	C	S	.	.	H	α-helix	trans	-57.4	-44.1	173.1	-82.7	165.4	0	0	0	111.7	T475 Q477 K482 R483 L551 Q554 V555 N558	T475-L479 HydrophobicContact CG2-CD1 4.14Å; T475-L479 WeakPolarHBondContact O-CB 3.45Å; T475-L479 VanDerWaalsContact O-CG 3.25Å; T475-L479 WeakPolarHBondContact O-CG 3.49Å; T475-L479 PolarHBondContact O-N 3.4Å; Q477-L479 VanDerWaalsContact C-N 3.33Å; Q477-L479 PolarHBondContact O-N 2.83Å; L479-K482 PolarHBondContact O-N 2.97Å; L479-R483 WeakPolarHBondContact O-CG 3.42Å; L479-R483 PolarHBondContact O-N 2.89Å; L479-L551 HydrophobicContact CD2-CD1 3.54Å; L479-L551 HydrophobicContact CD2-CG 4.26Å; L479-Q554 HydrophobicContact CD2-CB 4.09Å; L479-Q554 HydrophobicContact CD2-CG 4.18Å; L479-Q554 HydrophobicContact CG-CG 4.11Å; L479-V555 HydrophobicContact CD1-CG2 4.43Å; L479-V555 HydrophobicContact CD2-CB 4.33Å; L479-V555 HydrophobicContact CD2-CG2 3.37Å; L479-N558 HydrophobicContact CD1-CB 3.91Å
480	Q	94.5	Very high	94.1	Very high	104 Å²	104	76.8 Å²	76.8	49%	0.486	38%	0.378	S	S	.	.	H	α-helix	trans	-65.3	-43.9	177.9	-172	63.1	9.2	0	0	111.5	S476 Q477 E478 K482 R483 T484	S476-Q480 PolarHBondContact O-N 2.92Å; S476-Q480 VanDerWaalsContact O-N 3.15Å; Q477-Q480 WeakPolarHBondContact O-CB 3.37Å; Q477-Q480 PolarHBondContact O-N 3.11Å; Q477-Q480 VanDerWaalsContact O-N 3.12Å; E478-Q480 VanDerWaalsContact C-N 3.3Å; E478-Q480 PolarHBondContact O-N 3.47Å; Q480-K482 VanDerWaalsContact C-N 3.34Å; Q480-K482 PolarHBondContact O-N 3.49Å; Q480-R483 WeakPolarHBondContact O-CB 3.48Å; Q480-R483 PolarHBondContact O-N 3.11Å; Q480-T484 PolarHBondContact O-N 3.38Å; Q480-T484 PolarHBondContact O-OG1 3.04Å
481	M	94.6	Very high	94.1	Very high	136 Å²	136	76.1 Å²	76.1	67%	0.67	38%	0.375	S	S	*	.	H	α-helix	trans	-59.6	-43.7	175.4	-67.2	170.7	64.8	0	0	111.9	Q477 E478 R483 T484 A485	Q477-M481 WeakPolarHBondContact O-CG 3.46Å; Q477-M481 PolarHBondContact O-N 3.2Å; E478-M481 PolarHBondContact O-N 3.13Å; M481-R483 PolarHBondContact O-N 3.47Å; M481-T484 PolarHBondContact O-N 2.96Å; M481-A485 WeakPolarHBondContact O-CB 3.44Å; M481-A485 PolarHBondContact O-N 3.28Å
482	K	93.2	Very high	94.1	Very high	49 Å²	49	74.1 Å²	74.1	21%	0.213	37%	0.369	C	S	.	.	H	α-helix	trans	-64	-37.6	176.4	-74.1	-176.5	178.1	173.5	0	112.2	E478 L479 Q480 A485 I486 L547 L551	E478-K482 WeakPolarHBondContact O-CG 3.33Å; E478-K482 PolarHBondContact O-N 3.46Å; L479-K482 PolarHBondContact O-N 2.97Å; Q480-K482 VanDerWaalsContact C-N 3.34Å; Q480-K482 PolarHBondContact O-N 3.49Å; K482-A485 PolarHBondContact O-N 3.15Å; K482-I486 WeakPolarHBondContact O-CG1 3.43Å; K482-I486 PolarHBondContact O-N 3.45Å; K482-L547 HydrophobicContact CB-CD1 4.49Å; K482-L547 HydrophobicContact CD-CD1 4.31Å; K482-L547 HydrophobicContact CG-CD1 4.07Å; K482-L551 HydrophobicContact CB-CD1 3.64Å; K482-L551 HydrophobicContact CD-CD1 4.43Å
483	R	94.5	Very high	93.9	Very high	119 Å²	119	71.2 Å²	71.2	45%	0.449	36%	0.358	S	S	.	.	H	α-helix	trans	-62	-50	174.3	-74.4	170.6	-178.3	167.7	-0.4	111.8	L479 Q480 M481 A485 I486 E487 L551	L479-R483 WeakPolarHBondContact O-CG 3.42Å; L479-R483 PolarHBondContact O-N 2.89Å; Q480-R483 WeakPolarHBondContact O-CB 3.48Å; Q480-R483 PolarHBondContact O-N 3.11Å; M481-R483 PolarHBondContact O-N 3.47Å; R483-A485 VanDerWaalsContact C-N 3.26Å; R483-A485 PolarHBondContact O-N 2.93Å; R483-I486 PolarHBondContact O-N 2.97Å; R483-I486 VanDerWaalsContact O-N 3.09Å; R483-E487 PolarHBondContact O-N 2.88Å; R483-L551 HydrophobicContact CG-CD1 4.08Å; R483-L551 HydrophobicContact CG-CD2 4.18Å
484	T	95.6	Very high	93.9	Very high	75 Å²	75	73.7 Å²	73.7	46%	0.46	37%	0.365	S	S	.	.	H	α-helix	trans	-60.1	-38.5	176	-55.4	0	0	0	0	111.5	Q480 M481 E487 A488	Q480-T484 PolarHBondContact O-N 3.38Å; Q480-T484 PolarHBondContact O-OG1 3.04Å; M481-T484 PolarHBondContact O-N 2.96Å; T484-E487 PolarHBondContact O-N 2.83Å; T484-A488 PolarHBondContact O-N 2.78Å
485	A	94.8	Very high	93.8	Very high	36 Å²	36	71 Å²	71	30%	0.298	36%	0.361	S	S	.	.	H	α-helix	trans	-64.3	-39.5	174.9	0	0	0	0	0	112.5	M481 K482 R483 A488 F489 L547	M481-A485 WeakPolarHBondContact O-CB 3.44Å; M481-A485 PolarHBondContact O-N 3.28Å; K482-A485 PolarHBondContact O-N 3.15Å; R483-A485 VanDerWaalsContact C-N 3.26Å; R483-A485 PolarHBondContact O-N 2.93Å; A485-A488 PolarHBondContact O-N 2.9Å; A485-F489 WeakPolarHBondContact O-CD2 3.18Å; A485-F489 PolarHBondContact O-N 2.84Å; A485-L547 HydrophobicContact CB-CD2 3.79Å
486	I	93.5	Very high	93.7	Very high	16 Å²	16	73.4 Å²	73.4	8%	0.082	37%	0.37	C	S	.	.	H	α-helix	trans	-65	-40.2	174.9	-70.2	161	0	0	0	111.3	K482 R483 F489 N490 L547 E548 L551	K482-I486 WeakPolarHBondContact O-CG1 3.43Å; K482-I486 PolarHBondContact O-N 3.45Å; R483-I486 PolarHBondContact O-N 2.97Å; R483-I486 VanDerWaalsContact O-N 3.09Å; I486-F489 WeakPolarHBondContact O-CB 3.18Å; I486-F489 PolarHBondContact O-N 3.04Å; I486-N490 VanDerWaalsContact O-CG 3.28Å; I486-N490 PolarHBondContact O-N 3.29Å; I486-N490 PolarHBondContact O-ND2 2.92Å; I486-L547 HydrophobicContact CD1-CG 4.3Å; I486-L547 HydrophobicContact CG1-CB 4.44Å; I486-L547 HydrophobicContact CG1-CD2 3.73Å; I486-L547 HydrophobicContact CG1-CG 3.91Å; I486-E548 HydrophobicContact CD1-CG 3.93Å; I486-E548 HydrophobicContact CG1-CG 4.26Å; I486-E548 HydrophobicContact CG2-CG 4.33Å; I486-L551 HydrophobicContact CD1-CB 4.17Å; I486-L551 HydrophobicContact CD1-CD2 3.72Å; I486-L551 HydrophobicContact CD1-CG 4.43Å
487	E	94.4	Very high	93.4	Very high	120 Å²	120	74.9 Å²	74.9	56%	0.561	37%	0.371	S	S	*	.	H	α-helix	trans	-61.5	-43.8	173.6	-70.4	170	-175.8	0	0	111.4	R483 T484 F489 N490 E491	R483-E487 PolarHBondContact O-N 2.88Å; T484-E487 PolarHBondContact O-N 2.83Å; E487-F489 VanDerWaalsContact C-N 3.32Å; E487-F489 PolarHBondContact O-N 3.32Å; E487-N490 WeakPolarHBondContact O-CB 3.33Å; E487-N490 PolarHBondContact O-N 3.47Å; E487-N490 VanDerWaalsContact O-N 3.11Å; E487-E491 PolarHBondContact O-N 2.89Å
488	A	95.2	Very high	93.3	Very high	54 Å²	54	73 Å²	73	45%	0.446	36%	0.363	S	S	.	.	H	α-helix	trans	-62.4	-37.7	173.7	0	0	0	0	0	112.4	T484 A485 T492	T484-A488 PolarHBondContact O-N 2.78Å; A485-A488 PolarHBondContact O-N 2.9Å; A488-T492 WeakPolarHBondContact O-CB 3.21Å; A488-T492 PolarHBondContact O-N 2.91Å; A488-T492 PolarHBondContact O-OG1 3.06Å
489	F	94.6	Very high	93	Very high	68 Å²	68	74.6 Å²	74.6	30%	0.298	37%	0.37	S	S	.	.	H	α-helix	trans	-64.1	-39.2	171.7	-85.2	-65.9	0	0	0	112.1	A485 I486 E487 T492 I493 I540 K544 L547	A485-F489 WeakPolarHBondContact O-CD2 3.18Å; A485-F489 PolarHBondContact O-N 2.84Å; I486-F489 WeakPolarHBondContact O-CB 3.18Å; I486-F489 PolarHBondContact O-N 3.04Å; E487-F489 VanDerWaalsContact C-N 3.32Å; E487-F489 PolarHBondContact O-N 3.32Å; F489-T492 PolarHBondContact O-N 3.42Å; F489-I493 WeakPolarHBondContact O-CB 3.41Å; F489-I493 VanDerWaalsContact O-CG1 3.24Å; F489-I493 WeakPolarHBondContact O-CG1 3.28Å; F489-I493 PolarHBondContact O-N 3.02Å; F489-I540 HydrophobicContact CD1-CG2 4.08Å; F489-K544 HydrophobicContact CB-CB 4.21Å; F489-K544 HydrophobicContact CB-CG 4.31Å; F489-K544 HydrophobicContact CG-CB 4.38Å; F489-L547 HydrophobicContact CD2-CD2 3.8Å; F489-L547 HydrophobicContact CE2-CD2 3.7Å
490	N	93	Very high	92.6	Very high	60 Å²	60	76.9 Å²	76.9	32%	0.321	38%	0.38	S	S	.	.	H	α-helix	trans	-62.7	-47.2	177	-71.1	-28.1	0	0	0	111.6	I486 E487 T492 I493 K494 K544	I486-N490 VanDerWaalsContact O-CG 3.28Å; I486-N490 PolarHBondContact O-N 3.29Å; I486-N490 PolarHBondContact O-ND2 2.92Å; E487-N490 WeakPolarHBondContact O-CB 3.33Å; E487-N490 PolarHBondContact O-N 3.47Å; E487-N490 VanDerWaalsContact O-N 3.11Å; N490-T492 VanDerWaalsContact C-N 3.32Å; N490-T492 PolarHBondContact O-N 3.34Å; N490-I493 PolarHBondContact O-N 3.13Å; N490-K494 WeakPolarHBondContact O-CB 3.43Å; N490-K494 PolarHBondContact O-N 3.18Å; N490-K544 WeakPolarHBondContact OD1-CD 3.26Å; N490-K544 WeakPolarHBondContact OD1-CE 3.43Å; N490-K544 PolarHBondContact OD1-NZ 3.17Å
491	E	95.7	Very high	92.2	Very high	107 Å²	107	78.3 Å²	78.3	50%	0.5	39%	0.387	S	S	.	.	H	α-helix	trans	-65.2	-38.1	176.4	-70.6	-56.7	149.7	0	0	111.8	E487 K494 I495	E487-E491 PolarHBondContact O-N 2.89Å; E491-K494 PolarHBondContact O-N 3.13Å; E491-I495 WeakPolarHBondContact O-CG1 3.43Å; E491-I495 PolarHBondContact O-N 3.4Å
492	T	93.6	Very high	91.9	Very high	55 Å²	55	74.9 Å²	74.9	34%	0.337	37%	0.374	S	S	.	.	H	α-helix	trans	-61.2	-48.2	173.9	-58.3	0	0	0	0	110.8	A488 F489 N490 K494 I495 F496 I540	A488-T492 WeakPolarHBondContact O-CB 3.21Å; A488-T492 PolarHBondContact O-N 2.91Å; A488-T492 PolarHBondContact O-OG1 3.06Å; F489-T492 PolarHBondContact O-N 3.42Å; N490-T492 VanDerWaalsContact C-N 3.32Å; N490-T492 PolarHBondContact O-N 3.34Å; T492-K494 VanDerWaalsContact C-N 3.31Å; T492-K494 PolarHBondContact O-N 2.96Å; T492-I495 PolarHBondContact O-N 2.84Å; T492-F496 HydrophobicContact CG2-CD2 3.77Å; T492-F496 HydrophobicContact CG2-CE2 3.77Å; T492-F496 VanDerWaalsContact O-CD2 3.28Å; T492-F496 WeakPolarHBondContact O-CD2 3.25Å; T492-F496 PolarHBondContact O-N 2.99Å; T492-I540 HydrophobicContact CG2-CD1 4.42Å
493	I	91.8	Very high	91.4	Very high	9 Å²	9	75.4 Å²	75.4	5%	0.046	38%	0.377	C	S	.	.	H	α-helix	trans	-57.8	-46.6	177.5	-74.3	167	0	0	0	110.3	F489 N490 I495 F496 E497 I540 H541 K544	F489-I493 WeakPolarHBondContact O-CB 3.41Å; F489-I493 VanDerWaalsContact O-CG1 3.24Å; F489-I493 WeakPolarHBondContact O-CG1 3.28Å; F489-I493 PolarHBondContact O-N 3.02Å; N490-I493 PolarHBondContact O-N 3.13Å; I493-I495 PolarHBondContact O-N 3.39Å; I493-F496 CarbonylContact O-C 3.58Å; I493-F496 PolarHBondContact O-N 3Å; I493-F496 VanDerWaalsContact O-N 3.08Å; I493-E497 HydrophobicContact CG2-CG 4.1Å; I493-E497 WeakPolarHBondContact O-CB 3.41Å; I493-E497 WeakPolarHBondContact O-CG 3.38Å; I493-E497 PolarHBondContact O-N 2.87Å; I493-I540 HydrophobicContact CD1-CG2 4.15Å; I493-I540 HydrophobicContact CG1-CB 4.46Å; I493-I540 HydrophobicContact CG1-CG2 3.53Å; I493-H541 WeakPolarHBondContact CG2-CE1 3.15Å; I493-K544 HydrophobicContact CD1-CB 4.2Å; I493-K544 HydrophobicContact CD1-CD 3.51Å; I493-K544 HydrophobicContact CD1-CG 4.46Å
494	K	93.3	Very high	90.9	Very high	101 Å²	101	73.5 Å²	73.5	44%	0.439	37%	0.373	S	S	.	.	H	α-helix	trans	-57	-46.4	178.3	-175.8	-176.5	173.6	-169.4	0	112.2	N490 E491 T492 F496 E497 E498	N490-K494 WeakPolarHBondContact O-CB 3.43Å; N490-K494 PolarHBondContact O-N 3.18Å; E491-K494 PolarHBondContact O-N 3.13Å; T492-K494 VanDerWaalsContact C-N 3.31Å; T492-K494 PolarHBondContact O-N 2.96Å; K494-F496 VanDerWaalsContact C-N 3.32Å; K494-F496 PolarHBondContact O-N 3.13Å; K494-E497 PolarHBondContact O-N 3.09Å; K494-E498 WeakPolarHBondContact CE-OE1 3.47Å; K494-E498 WeakPolarHBondContact O-CB 3.29Å; K494-E498 WeakPolarHBondContact O-CG 3.35Å; K494-E498 PolarHBondContact O-N 3.34Å
495	I	93.2	Very high	90.5	Very high	96 Å²	96	76 Å²	76	49%	0.492	38%	0.377	S	S	.	.	H	α-helix	trans	-60.4	-43	175.9	-65.9	164.4	0	0	0	110.8	E491 T492 I493 E498 Q499	E491-I495 WeakPolarHBondContact O-CG1 3.43Å; E491-I495 PolarHBondContact O-N 3.4Å; T492-I495 PolarHBondContact O-N 2.84Å; I493-I495 PolarHBondContact O-N 3.39Å; I495-E498 PolarHBondContact O-N 3Å; I495-Q499 VanDerWaalsContact O-CG 3.27Å; I495-Q499 WeakPolarHBondContact O-CG 3.14Å; I495-Q499 PolarHBondContact O-N 3.47Å
496	F	89.6	Confident	89.9	Confident	62 Å²	62	81 Å²	81	27%	0.272	39%	0.39	S	S	.	.	H	α-helix	trans	-69.3	-33.1	178.4	-87.3	-81.7	0	0	0	113.1	T492 I493 K494 F500 L533 R536 V537 I540	T492-F496 HydrophobicContact CG2-CD2 3.77Å; T492-F496 HydrophobicContact CG2-CE2 3.77Å; T492-F496 VanDerWaalsContact O-CD2 3.28Å; T492-F496 WeakPolarHBondContact O-CD2 3.25Å; T492-F496 PolarHBondContact O-N 2.99Å; I493-F496 CarbonylContact O-C 3.58Å; I493-F496 PolarHBondContact O-N 3Å; I493-F496 VanDerWaalsContact O-N 3.08Å; K494-F496 VanDerWaalsContact C-N 3.32Å; K494-F496 PolarHBondContact O-N 3.13Å; F496-F500 WeakPolarHBondContact O-CB 3.35Å; F496-F500 PolarHBondContact O-N 3.35Å; F496-L533 HydrophobicContact CD1-CD1 3.98Å; F496-L533 HydrophobicContact CE1-CD1 4.38Å; F496-R536 HydrophobicContact CE1-CG 4.13Å; F496-V537 HydrophobicContact CB-CG2 4Å; F496-I540 HydrophobicContact CD1-CD1 4.5Å; F496-I540 HydrophobicContact CD2-CD1 3.6Å; F496-I540 HydrophobicContact CE1-CD1 4.46Å; F496-I540 HydrophobicContact CE2-CD1 3.56Å; F496-I540 HydrophobicContact CG-CD1 4.1Å; F496-I540 HydrophobicContact CZ-CD1 4.02Å
497	E	87.6	Confident	89.3	Confident	83 Å²	83	81.1 Å²	81.1	39%	0.388	39%	0.392	S	S	.	.	H	α-helix	trans	-68.8	-44	173.6	-74.6	177.8	165.1	0	0	111.1	I493 K494 Q499 F500 E501 H541	I493-E497 HydrophobicContact CG2-CG 4.1Å; I493-E497 WeakPolarHBondContact O-CB 3.41Å; I493-E497 WeakPolarHBondContact O-CG 3.38Å; I493-E497 PolarHBondContact O-N 2.87Å; K494-E497 PolarHBondContact O-N 3.09Å; E497-Q499 VanDerWaalsContact C-N 3.32Å; E497-Q499 PolarHBondContact O-N 2.79Å; E497-F500 CarbonylContact O-C 3.33Å; E497-F500 WeakPolarHBondContact O-CA 3.34Å; E497-F500 WeakPolarHBondContact O-CB 3.37Å; E497-F500 PolarHBondContact O-N 3.37Å; E497-F500 VanDerWaalsContact O-N 3.07Å; E497-E501 WeakPolarHBondContact O-CG 3.45Å; E497-E501 PolarHBondContact O-N 3Å; E497-H541 IonicContact OE1-CE1 2.77Å; E497-H541 IonicContact OE1-NE2 2.85Å
498	E	90.8	Very high	88.7	Confident	95 Å²	95	81.6 Å²	81.6	44%	0.444	39%	0.388	S	S	.	.	H	α-helix	trans	-60.4	-40.8	173.2	-72.6	173.7	-170.1	0	0	111.6	K494 I495 F500 T502	K494-E498 WeakPolarHBondContact CE-OE1 3.47Å; K494-E498 WeakPolarHBondContact O-CB 3.29Å; K494-E498 WeakPolarHBondContact O-CG 3.35Å; K494-E498 PolarHBondContact O-N 3.34Å; I495-E498 PolarHBondContact O-N 3Å; E498-F500 VanDerWaalsContact C-N 3.35Å; E498-T502 WeakPolarHBondContact O-CB 3.24Å; E498-T502 PolarHBondContact O-N 3.03Å; E498-T502 PolarHBondContact O-OG1 2.85Å
499	Q	87.5	Confident	88.1	Confident	115 Å²	115	83.5 Å²	83.5	54%	0.537	39%	0.388	S	S	.	.	H	α-helix	trans	-63.9	-40.2	172.7	-73.6	-63.7	-45.8	0	0	111.8	I495 E497 Q503	I495-Q499 VanDerWaalsContact O-CG 3.27Å; I495-Q499 WeakPolarHBondContact O-CG 3.14Å; I495-Q499 PolarHBondContact O-N 3.47Å; E497-Q499 VanDerWaalsContact C-N 3.32Å; E497-Q499 PolarHBondContact O-N 2.79Å; Q499-Q503 WeakPolarHBondContact O-CB 3.2Å; Q499-Q503 PolarHBondContact O-N 2.74Å
500	F	82.7	Confident	87.2	Confident	54 Å²	54	82.2 Å²	82.2	24%	0.237	39%	0.388	C	S	.	.	H	α-helix	trans	-64.6	-47.7	177.1	-178.2	-93.7	0	0	0	111.4	F496 E497 E498 T502 Q503 E504 L533 K534	F496-F500 WeakPolarHBondContact O-CB 3.35Å; F496-F500 PolarHBondContact O-N 3.35Å; E497-F500 CarbonylContact O-C 3.33Å; E497-F500 WeakPolarHBondContact O-CA 3.34Å; E497-F500 WeakPolarHBondContact O-CB 3.37Å; E497-F500 PolarHBondContact O-N 3.37Å; E497-F500 VanDerWaalsContact O-N 3.07Å; E498-F500 VanDerWaalsContact C-N 3.35Å; F500-T502 PolarHBondContact O-N 3Å; F500-Q503 PolarHBondContact O-N 2.72Å; F500-E504 VanDerWaalsContact O-CB 3.3Å; F500-E504 WeakPolarHBondContact O-CB 3.31Å; F500-E504 PolarHBondContact O-N 3.02Å; F500-L533 HydrophobicContact CB-CD2 4.13Å; F500-L533 HydrophobicContact CD2-CD2 4.06Å; F500-L533 HydrophobicContact CD2-CG 4.25Å; F500-K534 HydrophobicContact CE2-CB 4.23Å
501	E	86.6	Confident	86.5	Confident	135 Å²	135	81.2 Å²	81.2	63%	0.631	38%	0.382	S	S	*	.	H	α-helix	trans	-62.2	-42.4	176.5	-72.4	-177.3	179	0	0	112	E497 E504 K505	E497-E501 WeakPolarHBondContact O-CG 3.45Å; E497-E501 PolarHBondContact O-N 3Å; E501-E504 PolarHBondContact O-N 2.69Å; E501-K505 WeakPolarHBondContact O-CB 3.42Å; E501-K505 PolarHBondContact O-N 3.17Å
502	T	88.1	Confident	85.7	Confident	64 Å²	64	80.8 Å²	80.8	39%	0.393	38%	0.38	S	S	.	.	H	α-helix	trans	-63.7	-48.8	178	-60.6	0	0	0	0	110.7	E498 F500 E504 K505 Y506	E498-T502 WeakPolarHBondContact O-CB 3.24Å; E498-T502 PolarHBondContact O-N 3.03Å; E498-T502 PolarHBondContact O-OG1 2.85Å; F500-T502 PolarHBondContact O-N 3Å; T502-E504 VanDerWaalsContact C-N 3.33Å; T502-E504 PolarHBondContact O-N 3.13Å; T502-K505 PolarHBondContact O-N 3.37Å; T502-Y506 HydrophobicContact CG2-CD2 3.69Å; T502-Y506 HydrophobicContact CG2-CE2 3.45Å; T502-Y506 VanDerWaalsContact CG2-CE2 3.45Å; T502-Y506 WeakPolarHBondContact O-CD2 3.43Å; T502-Y506 PolarHBondContact O-N 2.96Å; T502-Y506 VanDerWaalsContact O-N 3.07Å
503	Q	84.1	Confident	85.1	Confident	60 Å²	60	86 Å²	86	28%	0.28	39%	0.393	S	S	.	.	H	α-helix	trans	-61.7	-40.2	175.8	177.4	64.7	15.1	0	0	111.4	Q499 F500 S507 L533	Q499-Q503 WeakPolarHBondContact O-CB 3.2Å; Q499-Q503 PolarHBondContact O-N 2.74Å; F500-Q503 PolarHBondContact O-N 2.72Å; Q503-S507 WeakPolarHBondContact O-CA 3.4Å; Q503-S507 WeakPolarHBondContact O-CB 3.46Å; Q503-S507 PolarHBondContact O-N 3.39Å; Q503-S507 PolarHBondContact O-OG 3.14Å; Q503-L533 HydrophobicContact CB-CD2 4.39Å
504	E	84	Confident	84.6	Confident	79 Å²	79	88.1 Å²	88.1	37%	0.369	40%	0.402	S	S	.	.	H	α-helix	trans	-63.8	-43.2	177.5	-160.7	-168	155.9	0	0	111.2	F500 E501 T502 S507 R508	F500-E504 VanDerWaalsContact O-CB 3.3Å; F500-E504 WeakPolarHBondContact O-CB 3.31Å; F500-E504 PolarHBondContact O-N 3.02Å; E501-E504 PolarHBondContact O-N 2.69Å; T502-E504 VanDerWaalsContact C-N 3.33Å; T502-E504 PolarHBondContact O-N 3.13Å; E504-S507 WeakPolarHBondContact CA-OG 3.3Å; E504-S507 PolarHBondContact O-OG 3.43Å; E504-R508 VanDerWaalsContact O-CB 3.25Å; E504-R508 WeakPolarHBondContact O-CB 3.41Å; E504-R508 PolarHBondContact O-N 2.77Å; E504-R508 IonicContact OE1-CZ 3.64Å; E504-R508 IonicContact OE1-NH2 3.82Å; E504-R508 PolarHBondContact OE1-NH2 3.29Å
505	K	85.6	Confident	83.9	Confident	126 Å²	126	89.4 Å²	89.4	55%	0.548	41%	0.41	S	S	.	.	H	α-helix	trans	-62.8	-51	178.1	-172.1	179.8	178.7	-177.1	0	112.2	E501 T502 R508 E509	E501-K505 WeakPolarHBondContact O-CB 3.42Å; E501-K505 PolarHBondContact O-N 3.17Å; T502-K505 PolarHBondContact O-N 3.37Å; K505-R508 PolarHBondContact O-N 2.85Å; K505-E509 PolarHBondContact O-N 3.21Å
506	Y	82.8	Confident	83.2	Confident	143 Å²	143	94.5 Å²	94.5	56%	0.561	42%	0.423	S	S	*	.	H	α-helix	trans	-69.9	-36.2	179.2	-72.8	-63.8	0	0	0	113	T502 S510	T502-Y506 HydrophobicContact CG2-CD2 3.69Å; T502-Y506 HydrophobicContact CG2-CE2 3.45Å; T502-Y506 VanDerWaalsContact CG2-CE2 3.45Å; T502-Y506 WeakPolarHBondContact O-CD2 3.43Å; T502-Y506 PolarHBondContact O-N 2.96Å; T502-Y506 VanDerWaalsContact O-N 3.07Å; Y506-S510 VanDerWaalsContact O-CB 3.27Å; Y506-S510 WeakPolarHBondContact O-CB 3.2Å; Y506-S510 PolarHBondContact O-N 2.81Å; Y506-S510 PolarHBondContact O-OG 2.81Å
507	S	81.7	Confident	82.7	Confident	18 Å²	18	98 Å²	98	13%	0.126	44%	0.44	C	S	.	.	H	α-helix	trans	-65.3	-40.6	174.7	63.5	0	0	0	0	111	Q503 E504 S510 L511 I526	Q503-S507 WeakPolarHBondContact O-CA 3.4Å; Q503-S507 WeakPolarHBondContact O-CB 3.46Å; Q503-S507 PolarHBondContact O-N 3.39Å; Q503-S507 PolarHBondContact O-OG 3.14Å; E504-S507 WeakPolarHBondContact CA-OG 3.3Å; E504-S507 PolarHBondContact O-OG 3.43Å; S507-S510 CarbonylContact O-C 3.49Å; S507-S510 PolarHBondContact O-N 3.35Å; S507-L511 VanDerWaalsContact O-CB 3.27Å; S507-L511 WeakPolarHBondContact O-CB 3.49Å; S507-L511 PolarHBondContact O-N 2.89Å; S507-I526 VanDerWaalsContact CB-CG2 3.41Å
508	R	82.4	Confident	82.2	Confident	129 Å²	129	96.9 Å²	96.9	49%	0.487	45%	0.451	S	S	.	.	H	α-helix	trans	-59.3	-48.8	177.2	-167.7	-178.3	-56.6	153.1	2.3	112	E504 K505 S510 L511 E512	E504-R508 VanDerWaalsContact O-CB 3.25Å; E504-R508 WeakPolarHBondContact O-CB 3.41Å; E504-R508 PolarHBondContact O-N 2.77Å; E504-R508 IonicContact OE1-CZ 3.64Å; E504-R508 IonicContact OE1-NH2 3.82Å; E504-R508 PolarHBondContact OE1-NH2 3.29Å; K505-R508 PolarHBondContact O-N 2.85Å; R508-S510 VanDerWaalsContact C-N 3.3Å; R508-S510 PolarHBondContact O-N 2.77Å; R508-L511 PolarHBondContact O-N 2.97Å; R508-E512 WeakPolarHBondContact O-CG 3.33Å; R508-E512 PolarHBondContact O-N 3.07Å; R508-E512 VanDerWaalsContact O-N 3.11Å
509	E	81.1	Confident	81.8	Confident	95 Å²	95	95.7 Å²	95.7	44%	0.444	45%	0.447	S	S	.	.	H	α-helix	trans	-63.5	-35.9	176.6	-68.8	178.5	-171	0	0	112.4	K505 R513	K505-E509 PolarHBondContact O-N 3.21Å; E509-R513 WeakPolarHBondContact O-CG 3.34Å; E509-R513 PolarHBondContact O-N 3.5Å
510	S	75.5	Confident	81.6	Confident	41 Å²	41	97 Å²	97	29%	0.287	45%	0.453	S	S	.	.	H	α-helix	trans	-76	-39.3	177.7	-59.1	0	0	0	0	112.3	Y506 S507 R508 E512 R513 F514	Y506-S510 VanDerWaalsContact O-CB 3.27Å; Y506-S510 WeakPolarHBondContact O-CB 3.2Å; Y506-S510 PolarHBondContact O-N 2.81Å; Y506-S510 PolarHBondContact O-OG 2.81Å; S507-S510 CarbonylContact O-C 3.49Å; S507-S510 PolarHBondContact O-N 3.35Å; R508-S510 VanDerWaalsContact C-N 3.3Å; R508-S510 PolarHBondContact O-N 2.77Å; S510-E512 VanDerWaalsContact C-N 3.34Å; S510-E512 PolarHBondContact O-N 3.32Å; S510-R513 PolarHBondContact O-N 3.03Å; S510-F514 WeakPolarHBondContact O-CD2 3.34Å; S510-F514 WeakPolarHBondContact O-CG 3.5Å; S510-F514 PolarHBondContact O-N 3.41Å
511	L	79.1	Confident	81.7	Confident	38 Å²	38	102 Å²	102	20%	0.199	48%	0.475	C	S	.	.	H	α-helix	trans	-62.3	-43.6	178.3	-133.4	78.7	0	0	0	110.2	S507 R508 R513 F514 Q515 I523 I526	S507-L511 VanDerWaalsContact O-CB 3.27Å; S507-L511 WeakPolarHBondContact O-CB 3.49Å; S507-L511 PolarHBondContact O-N 2.89Å; R508-L511 PolarHBondContact O-N 2.97Å; L511-R513 VanDerWaalsContact C-N 3.28Å; L511-R513 PolarHBondContact O-N 3.13Å; L511-F514 PolarHBondContact O-N 3.45Å; L511-Q515 VanDerWaalsContact O-CB 3.22Å; L511-Q515 WeakPolarHBondContact O-CB 3.33Å; L511-Q515 WeakPolarHBondContact O-CG 3.49Å; L511-Q515 PolarHBondContact O-N 2.79Å; L511-I523 HydrophobicContact CD1-CB 4.33Å; L511-I523 HydrophobicContact CD1-CG1 4.24Å; L511-I523 HydrophobicContact CD1-CG2 3.92Å; L511-I523 HydrophobicContact CG-CG1 4.38Å; L511-I523 HydrophobicContact CG-CG2 4.22Å; L511-I526 HydrophobicContact CD1-CG2 4.25Å
512	E	79.8	Confident	81.5	Confident	98 Å²	98	98.7 Å²	98.7	46%	0.458	46%	0.46	S	S	.	.	H	α-helix	trans	-65	-31.6	177.7	-74.2	-179.5	-168.5	0	0	112.8	R508 S510 R516	R508-E512 WeakPolarHBondContact O-CG 3.33Å; R508-E512 PolarHBondContact O-N 3.07Å; R508-E512 VanDerWaalsContact O-N 3.11Å; S510-E512 VanDerWaalsContact C-N 3.34Å; S510-E512 PolarHBondContact O-N 3.32Å; E512-R516 WeakPolarHBondContact O-CG 3.27Å; E512-R516 PolarHBondContact O-NE 3.44Å
513	R	79.5	Confident	81.3	Confident	165 Å²	165	96.6 Å²	96.6	62%	0.623	45%	0.446	S	S	*	.	H	α-helix	trans	-74	-50.8	173.6	-72	-179.9	-175.1	-175.3	4.2	111.1	E509 S510 L511 Q515 R516 E517	E509-R513 WeakPolarHBondContact O-CG 3.34Å; E509-R513 PolarHBondContact O-N 3.5Å; S510-R513 PolarHBondContact O-N 3.03Å; L511-R513 VanDerWaalsContact C-N 3.28Å; L511-R513 PolarHBondContact O-N 3.13Å; R513-Q515 VanDerWaalsContact C-N 3.3Å; R513-Q515 PolarHBondContact O-N 3.05Å; R513-R516 WeakPolarHBondContact O-CB 3.35Å; R513-R516 PolarHBondContact O-N 3.38Å; R513-R516 VanDerWaalsContact O-N 3.09Å; R513-E517 WeakPolarHBondContact O-CG 3.31Å; R513-E517 PolarHBondContact O-N 3.02Å; R513-E517 VanDerWaalsContact O-N 3.09Å
514	F	81	Confident	81.4	Confident	53 Å²	53	100 Å²	100	23%	0.232	46%	0.462	C	S	.	.	H	α-helix	trans	-68.4	-26.1	-179.1	-67.9	-54.8	0	0	0	113.6	S510 L511 E517 G518 N519 E522 I523 I526	S510-F514 WeakPolarHBondContact O-CD2 3.34Å; S510-F514 WeakPolarHBondContact O-CG 3.5Å; S510-F514 PolarHBondContact O-N 3.41Å; L511-F514 PolarHBondContact O-N 3.45Å; F514-E517 PolarHBondContact O-N 3.26Å; F514-G518 PolarHBondContact O-N 3.22Å; F514-N519 HydrophobicContact CD1-CB 4.27Å; F514-N519 PolarHBondContact O-N 2.87Å; F514-E522 HydrophobicContact CE2-CG 4.36Å; F514-E522 HydrophobicContact CZ-CG 4.42Å; F514-I523 HydrophobicContact CB-CD1 4.29Å; F514-I523 HydrophobicContact CB-CG1 3.98Å; F514-I526 HydrophobicContact CD2-CD1 4.41Å; F514-I526 HydrophobicContact CE2-CD1 4.41Å
515	Q	78.4	Confident	81.6	Confident	129 Å²	129	102.1 Å²	102.1	60%	0.603	47%	0.47	S	S	*	.	H	α-helix	trans	-66.6	-39.6	169.7	-87.5	179.9	-21.3	0	0	112	L511 R513 E517 G518 I523	L511-Q515 VanDerWaalsContact O-CB 3.22Å; L511-Q515 WeakPolarHBondContact O-CB 3.33Å; L511-Q515 WeakPolarHBondContact O-CG 3.49Å; L511-Q515 PolarHBondContact O-N 2.79Å; R513-Q515 VanDerWaalsContact C-N 3.3Å; R513-Q515 PolarHBondContact O-N 3.05Å; Q515-E517 VanDerWaalsContact C-N 3.3Å; Q515-G518 PolarHBondContact O-N 2.97Å; Q515-I523 HydrophobicContact CG-CD1 3.74Å
516	R	79.1	Confident	81.6	Confident	203 Å²	203	97.5 Å²	97.5	77%	0.766	45%	0.451	S	S	*	.	H	α-helix	trans	-68.9	-30.9	175.1	-70.8	-178	-125.5	-175	-3.1	112.3	E512 R513	E512-R516 WeakPolarHBondContact O-CG 3.27Å; E512-R516 PolarHBondContact O-NE 3.44Å; R513-R516 WeakPolarHBondContact O-CB 3.35Å; R513-R516 PolarHBondContact O-N 3.38Å; R513-R516 VanDerWaalsContact O-N 3.09Å
517	E	79.3	Confident	81.7	Confident	135 Å²	135	95.2 Å²	95.2	63%	0.631	45%	0.445	S	S	*	.	H	α-helix	trans	-86.1	-8.1	178.9	-66.3	173.1	-168.3	0	0	113.8	R513 F514 Q515 N519	R513-E517 WeakPolarHBondContact O-CG 3.31Å; R513-E517 PolarHBondContact O-N 3.02Å; R513-E517 VanDerWaalsContact O-N 3.09Å; F514-E517 PolarHBondContact O-N 3.26Å; Q515-E517 VanDerWaalsContact C-N 3.3Å; E517-N519 VanDerWaalsContact C-N 3.35Å; E517-N519 PolarHBondContact O-N 3.19Å
518	G	78.4	Confident	82	Confident	59 Å²	59	97.3 Å²	97.3	61%	0.608	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	21	179.9	0	0	0	0	0	115.1	F514 Q515 E520	F514-G518 PolarHBondContact O-N 3.22Å; Q515-G518 PolarHBondContact O-N 2.97Å; G518-E520 PolarHBondContact O-N 2.95Å
519	N	82.3	Confident	82.3	Confident	70 Å²	70	95.3 Å²	95.3	37%	0.374	46%	0.459	S	S	.	.			trans	-93.1	73.4	-173.5	-162	-2.5	0	0	0	112.8	F514 E517 K521 E522	F514-N519 HydrophobicContact CD1-CB 4.27Å; F514-N519 PolarHBondContact O-N 2.87Å; E517-N519 VanDerWaalsContact C-N 3.35Å; E517-N519 PolarHBondContact O-N 3.19Å; N519-K521 VanDerWaalsContact C-N 3.29Å; N519-K521 PolarHBondContact O-N 3.38Å; N519-E522 PolarHBondContact O-N 3.45Å
520	E	82.3	Confident	82.6	Confident	142 Å²	142	92.2 Å²	92.2	66%	0.664	45%	0.448	S	S	*	.	H	α-helix	trans	-61	-29.4	-174.1	-70.5	-172.8	155.1	0	0	115	G518 E522 I523 Q524	G518-E520 PolarHBondContact O-N 2.95Å; E520-E522 VanDerWaalsContact C-N 3.3Å; E520-E522 PolarHBondContact O-N 3.35Å; E520-I523 PolarHBondContact O-N 2.94Å; E520-Q524 PolarHBondContact O-N 3.43Å; E520-Q524 VanDerWaalsContact O-N 3.08Å
521	K	85.1	Confident	83.2	Confident	160 Å²	160	96.9 Å²	96.9	70%	0.696	47%	0.465	S	S	*	.	H	α-helix	trans	-65.4	-34.9	-177.3	-69.6	-176.2	-179.4	177.5	0	112.3	N519 K525	N519-K521 VanDerWaalsContact C-N 3.29Å; N519-K521 PolarHBondContact O-N 3.38Å; K521-K525 PolarHBondContact O-N 2.98Å
522	E	82.9	Confident	83.7	Confident	65 Å²	65	104.2 Å²	104.2	30%	0.304	49%	0.49	S	S	.	.	H	α-helix	trans	-79.4	-34.8	-179.2	-145.9	59.6	-159	0	0	111.3	F514 N519 E520 Q524 K525 I526	F514-E522 HydrophobicContact CE2-CG 4.36Å; F514-E522 HydrophobicContact CZ-CG 4.42Å; N519-E522 PolarHBondContact O-N 3.45Å; E520-E522 VanDerWaalsContact C-N 3.3Å; E520-E522 PolarHBondContact O-N 3.35Å; E522-Q524 VanDerWaalsContact C-N 3.33Å; E522-Q524 PolarHBondContact O-N 2.94Å; E522-K525 PolarHBondContact O-N 3.06Å; E522-K525 IonicContact OE1-NZ 3.72Å; E522-K525 IonicContact OE2-NZ 3.62Å; E522-K525 PolarHBondContact OE2-NZ 3.45Å; E522-I526 WeakPolarHBondContact O-CG1 3.49Å; E522-I526 PolarHBondContact O-N 3.5Å
523	I	83.6	Confident	84.1	Confident	21 Å²	21	101 Å²	101	11%	0.108	48%	0.476	C	S	.	.	H	α-helix	trans	-56.9	-47.3	170.8	-65.4	173.3	0	0	0	110.4	L511 F514 Q515 E520 K525 I526 Q527	L511-I523 HydrophobicContact CD1-CB 4.33Å; L511-I523 HydrophobicContact CD1-CG1 4.24Å; L511-I523 HydrophobicContact CD1-CG2 3.92Å; L511-I523 HydrophobicContact CG-CG1 4.38Å; L511-I523 HydrophobicContact CG-CG2 4.22Å; F514-I523 HydrophobicContact CB-CD1 4.29Å; F514-I523 HydrophobicContact CB-CG1 3.98Å; Q515-I523 HydrophobicContact CG-CD1 3.74Å; E520-I523 PolarHBondContact O-N 2.94Å; I523-K525 PolarHBondContact O-N 3.37Å; I523-I526 PolarHBondContact O-N 2.87Å; I523-Q527 WeakPolarHBondContact O-CB 3.38Å; I523-Q527 WeakPolarHBondContact O-CG 3.37Å; I523-Q527 PolarHBondContact O-N 2.91Å
524	Q	86.4	Confident	84.5	Confident	130 Å²	130	99.8 Å²	99.8	61%	0.607	48%	0.475	S	S	*	.	H	α-helix	trans	-62.4	-39.1	178.3	-76.5	-177.5	-5.9	0	0	113.2	E520 E522 Q527 S528	E520-Q524 PolarHBondContact O-N 3.43Å; E520-Q524 VanDerWaalsContact O-N 3.08Å; E522-Q524 VanDerWaalsContact C-N 3.33Å; E522-Q524 PolarHBondContact O-N 2.94Å; Q524-Q527 PolarHBondContact O-N 3.42Å; Q524-S528 WeakPolarHBondContact O-CB 3.49Å; Q524-S528 PolarHBondContact O-N 3.07Å
525	K	87.3	Confident	85	Confident	124 Å²	124	100.2 Å²	100.2	54%	0.539	49%	0.485	S	S	.	.	H	α-helix	trans	-65.3	-43.6	176.9	-71.6	179	-165	158.1	0	112.2	K521 E522 I523 S528 N529	K521-K525 PolarHBondContact O-N 2.98Å; E522-K525 PolarHBondContact O-N 3.06Å; E522-K525 IonicContact OE1-NZ 3.72Å; E522-K525 IonicContact OE2-NZ 3.62Å; E522-K525 PolarHBondContact OE2-NZ 3.45Å; I523-K525 PolarHBondContact O-N 3.37Å; K525-S528 PolarHBondContact O-N 2.93Å; K525-N529 WeakPolarHBondContact O-CB 3.42Å; K525-N529 PolarHBondContact O-N 2.98Å
526	I	85.7	Confident	85.6	Confident	29 Å²	29	100.1 Å²	100.1	15%	0.149	48%	0.479	C	S	.	.	H	α-helix	trans	-63.7	-43.9	178.5	-68.3	170.9	0	0	0	110.2	S507 L511 F514 E522 I523 N529 S530	S507-I526 VanDerWaalsContact CB-CG2 3.41Å; L511-I526 HydrophobicContact CD1-CG2 4.25Å; F514-I526 HydrophobicContact CD2-CD1 4.41Å; F514-I526 HydrophobicContact CE2-CD1 4.41Å; E522-I526 WeakPolarHBondContact O-CG1 3.49Å; E522-I526 PolarHBondContact O-N 3.5Å; I523-I526 PolarHBondContact O-N 2.87Å; I526-N529 PolarHBondContact O-N 3.06Å; I526-S530 PolarHBondContact O-N 3.47Å
527	Q	85.1	Confident	86.1	Confident	95 Å²	95	91.5 Å²	91.5	44%	0.444	45%	0.449	S	S	.	.	H	α-helix	trans	-62.7	-46.4	175.9	-74.5	176.5	-14.6	0	0	112.1	I523 Q524 N529 S530 E531	I523-Q527 WeakPolarHBondContact O-CB 3.38Å; I523-Q527 WeakPolarHBondContact O-CG 3.37Å; I523-Q527 PolarHBondContact O-N 2.91Å; Q524-Q527 PolarHBondContact O-N 3.42Å; Q527-N529 VanDerWaalsContact C-N 3.31Å; Q527-N529 PolarHBondContact O-N 3.48Å; Q527-S530 WeakPolarHBondContact O-CB 3.37Å; Q527-S530 PolarHBondContact O-N 3.49Å; Q527-S530 VanDerWaalsContact O-N 3.16Å; Q527-E531 WeakPolarHBondContact O-CG 3.42Å; Q527-E531 PolarHBondContact O-N 3.28Å
528	S	88.6	Confident	86.6	Confident	62 Å²	62	91.6 Å²	91.6	43%	0.434	45%	0.447	S	S	.	.	H	α-helix	trans	-61.3	-38.8	177.5	-176.3	0	0	0	0	112.4	Q524 K525 E531 R532	Q524-S528 WeakPolarHBondContact O-CB 3.49Å; Q524-S528 PolarHBondContact O-N 3.07Å; K525-S528 PolarHBondContact O-N 2.93Å; S528-E531 PolarHBondContact O-N 3.42Å; S528-R532 WeakPolarHBondContact O-CG 3.46Å; S528-R532 PolarHBondContact O-N 3.06Å; S528-R532 VanDerWaalsContact O-N 3.1Å
529	N	88.6	Confident	87.3	Confident	87 Å²	87	92.9 Å²	92.9	47%	0.465	44%	0.437	S	S	.	.	H	α-helix	trans	-64.5	-46.2	173.8	-170.2	-19.1	0	0	0	111.4	K525 I526 Q527 E531 R532 L533	K525-N529 WeakPolarHBondContact O-CB 3.42Å; K525-N529 PolarHBondContact O-N 2.98Å; I526-N529 PolarHBondContact O-N 3.06Å; Q527-N529 VanDerWaalsContact C-N 3.31Å; Q527-N529 PolarHBondContact O-N 3.48Å; N529-E531 VanDerWaalsContact C-N 3.29Å; N529-E531 PolarHBondContact O-N 3.25Å; N529-R532 PolarHBondContact O-N 3.42Å; N529-R532 VanDerWaalsContact O-N 3.13Å; N529-L533 PolarHBondContact O-N 3.48Å
530	S	85.8	Confident	87.8	Confident	31 Å²	31	90 Å²	90	22%	0.217	42%	0.422	C	S	.	.	H	α-helix	trans	-57.6	-40	175.9	-176.2	0	0	0	0	112.6	I526 Q527 K534	I526-S530 PolarHBondContact O-N 3.47Å; Q527-S530 WeakPolarHBondContact O-CB 3.37Å; Q527-S530 PolarHBondContact O-N 3.49Å; Q527-S530 VanDerWaalsContact O-N 3.16Å; S530-K534 VanDerWaalsContact O-CB 3.32Å; S530-K534 WeakPolarHBondContact O-CB 3.38Å; S530-K534 PolarHBondContact O-N 2.87Å
531	E	88.7	Confident	88.3	Confident	139 Å²	139	86.2 Å²	86.2	65%	0.65	40%	0.404	S	S	*	.	H	α-helix	trans	-65.9	-41.8	176.5	-74.5	-179.2	168.7	0	0	112	Q527 S528 N529 K534 S535	Q527-E531 WeakPolarHBondContact O-CG 3.42Å; Q527-E531 PolarHBondContact O-N 3.28Å; S528-E531 PolarHBondContact O-N 3.42Å; N529-E531 VanDerWaalsContact C-N 3.29Å; N529-E531 PolarHBondContact O-N 3.25Å; E531-K534 PolarHBondContact O-N 2.91Å; E531-S535 PolarHBondContact O-N 2.88Å
532	R	89.3	Confident	88.8	Confident	192 Å²	192	82 Å²	82	73%	0.725	39%	0.389	S	S	*	.	H	α-helix	trans	-63.7	-43.5	176	-71.1	178.3	70.7	175.5	2	111.8	S528 N529 S535 R536	S528-R532 WeakPolarHBondContact O-CG 3.46Å; S528-R532 PolarHBondContact O-N 3.06Å; S528-R532 VanDerWaalsContact O-N 3.1Å; N529-R532 PolarHBondContact O-N 3.42Å; N529-R532 VanDerWaalsContact O-N 3.13Å; R532-S535 PolarHBondContact O-N 3.48Å; R532-R536 PolarHBondContact O-N 3.21Å
533	L	87.8	Confident	89.4	Confident	29 Å²	29	81.9 Å²	81.9	15%	0.152	40%	0.395	C	S	.	.	H	α-helix	trans	-62.3	-44.8	176.4	-174.6	60.9	0	0	0	111	F496 F500 Q503 N529 S535 R536 V537	F496-L533 HydrophobicContact CD1-CD1 3.98Å; F496-L533 HydrophobicContact CE1-CD1 4.38Å; F500-L533 HydrophobicContact CB-CD2 4.13Å; F500-L533 HydrophobicContact CD2-CD2 4.06Å; F500-L533 HydrophobicContact CD2-CG 4.25Å; Q503-L533 HydrophobicContact CB-CD2 4.39Å; N529-L533 PolarHBondContact O-N 3.48Å; L533-S535 PolarHBondContact O-N 2.97Å; L533-R536 PolarHBondContact O-N 3.36Å; L533-R536 VanDerWaalsContact O-N 3.16Å; L533-V537 WeakPolarHBondContact O-CG2 3.34Å; L533-V537 PolarHBondContact O-N 3.27Å
534	K	87.9	Confident	89.9	Confident	140 Å²	140	83 Å²	83	61%	0.609	40%	0.399	S	S	*	.	H	α-helix	trans	-62	-40.8	176.6	-170.7	174.5	-177.6	174.7	0	112.6	F500 S530 E531 R536 K538	F500-K534 HydrophobicContact CE2-CB 4.23Å; S530-K534 VanDerWaalsContact O-CB 3.32Å; S530-K534 WeakPolarHBondContact O-CB 3.38Å; S530-K534 PolarHBondContact O-N 2.87Å; E531-K534 PolarHBondContact O-N 2.91Å; K534-R536 VanDerWaalsContact C-N 3.33Å; K534-K538 PolarHBondContact O-N 2.85Å; K534-K538 VanDerWaalsContact O-N 3.12Å
535	S	92	Very high	90.3	Very high	62 Å²	62	84.4 Å²	84.4	43%	0.434	40%	0.399	S	S	.	.	H	α-helix	trans	-61.4	-43.2	173.8	-167.8	0	0	0	0	111.2	E531 R532 L533 K538 E539	E531-S535 PolarHBondContact O-N 2.88Å; R532-S535 PolarHBondContact O-N 3.48Å; L533-S535 PolarHBondContact O-N 2.97Å; S535-K538 WeakPolarHBondContact O-CB 3.44Å; S535-K538 PolarHBondContact O-N 3.04Å; S535-E539 PolarHBondContact O-N 2.9Å
536	R	90.6	Very high	90.7	Very high	127 Å²	127	85 Å²	85	48%	0.479	40%	0.402	S	S	.	.	H	α-helix	trans	-65.6	-42.7	180	-173.4	57.7	178.6	160.1	3.4	112.6	F496 R532 L533 K534 K538 E539 I540	F496-R536 HydrophobicContact CE1-CG 4.13Å; R532-R536 PolarHBondContact O-N 3.21Å; L533-R536 PolarHBondContact O-N 3.36Å; L533-R536 VanDerWaalsContact O-N 3.16Å; K534-R536 VanDerWaalsContact C-N 3.33Å; R536-K538 VanDerWaalsContact C-N 3.27Å; R536-K538 PolarHBondContact O-N 3.21Å; R536-E539 IonicContact CZ-OE2 3.51Å; R536-E539 IonicContact NH1-OE2 3.78Å; R536-E539 PolarHBondContact NH1-OE2 3.12Å; R536-E539 PolarHBondContact O-N 2.7Å; R536-I540 HydrophobicContact CG-CD1 4.28Å; R536-I540 WeakPolarHBondContact O-CG1 3.11Å; R536-I540 PolarHBondContact O-N 3.12Å; R536-I540 VanDerWaalsContact O-N 3.15Å
537	V	89.4	Confident	91.2	Very high	22 Å²	22	85 Å²	85	13%	0.133	40%	0.402	C	S	.	.	H	α-helix	trans	-58.4	-42.4	174.5	172.1	0	0	0	0	110.8	F496 L533 I540 H541	F496-V537 HydrophobicContact CB-CG2 4Å; L533-V537 WeakPolarHBondContact O-CG2 3.34Å; L533-V537 PolarHBondContact O-N 3.27Å; V537-I540 PolarHBondContact O-N 3.02Å; V537-H541 PolarHBondContact O-N 2.93Å; V537-H541 PolarHBondContact O-ND1 2.9Å
538	K	90.8	Very high	91.6	Very high	137 Å²	137	84.2 Å²	84.2	60%	0.596	40%	0.398	S	S	*	.	H	α-helix	trans	-63.7	-44	178	-172.5	-177	174.8	-172.3	0	112.3	K534 S535 R536 I540 H541 D542	K534-K538 PolarHBondContact O-N 2.85Å; K534-K538 VanDerWaalsContact O-N 3.12Å; S535-K538 WeakPolarHBondContact O-CB 3.44Å; S535-K538 PolarHBondContact O-N 3.04Å; R536-K538 VanDerWaalsContact C-N 3.27Å; R536-K538 PolarHBondContact O-N 3.21Å; K538-I540 VanDerWaalsContact C-N 3.31Å; K538-I540 PolarHBondContact O-N 2.68Å; K538-H541 WeakPolarHBondContact O-CB 3.14Å; K538-H541 PolarHBondContact O-N 3.27Å; K538-D542 PolarHBondContact O-N 3.18Å
539	E	93.9	Very high	92	Very high	87 Å²	87	87.4 Å²	87.4	41%	0.407	41%	0.406	S	S	.	.	H	α-helix	trans	-59.7	-40.4	176.3	-73.4	169.9	-163.7	0	0	112.7	S535 R536 D542 S543	S535-E539 PolarHBondContact O-N 2.9Å; R536-E539 IonicContact CZ-OE2 3.51Å; R536-E539 IonicContact NH1-OE2 3.78Å; R536-E539 PolarHBondContact NH1-OE2 3.12Å; R536-E539 PolarHBondContact O-N 2.7Å; E539-D542 PolarHBondContact O-N 2.93Å; E539-S543 WeakPolarHBondContact O-CB 3.49Å; E539-S543 PolarHBondContact O-N 2.87Å; E539-S543 PolarHBondContact O-OG 3.39Å
540	I	92.4	Very high	92.3	Very high	10 Å²	10	86 Å²	86	5%	0.051	40%	0.398	C	S	.	.	H	α-helix	trans	-67.5	-42.5	178.1	-62.8	168.2	0	0	0	110.1	F489 T492 I493 F496 R536 V537 K538 S543 K544	F489-I540 HydrophobicContact CD1-CG2 4.08Å; T492-I540 HydrophobicContact CG2-CD1 4.42Å; I493-I540 HydrophobicContact CD1-CG2 4.15Å; I493-I540 HydrophobicContact CG1-CB 4.46Å; I493-I540 HydrophobicContact CG1-CG2 3.53Å; F496-I540 HydrophobicContact CD1-CD1 4.5Å; F496-I540 HydrophobicContact CD2-CD1 3.6Å; F496-I540 HydrophobicContact CE1-CD1 4.46Å; F496-I540 HydrophobicContact CE2-CD1 3.56Å; F496-I540 HydrophobicContact CG-CD1 4.1Å; F496-I540 HydrophobicContact CZ-CD1 4.02Å; R536-I540 HydrophobicContact CG-CD1 4.28Å; R536-I540 WeakPolarHBondContact O-CG1 3.11Å; R536-I540 PolarHBondContact O-N 3.12Å; R536-I540 VanDerWaalsContact O-N 3.15Å; V537-I540 PolarHBondContact O-N 3.02Å; K538-I540 VanDerWaalsContact C-N 3.31Å; K538-I540 PolarHBondContact O-N 2.68Å; I540-S543 PolarHBondContact O-N 3.41Å; I540-K544 WeakPolarHBondContact O-CB 3.41Å; I540-K544 PolarHBondContact O-N 3.09Å
541	H	93.3	Very high	92.7	Very high	61 Å²	61	85.8 Å²	85.8	28%	0.282	40%	0.395	S	S	.	.	H	α-helix	trans	-59.7	-44.6	173.6	-85.5	86.8	0	0	0	112.7	I493 E497 V537 K538 S543 K544 R545	I493-H541 WeakPolarHBondContact CG2-CE1 3.15Å; E497-H541 IonicContact OE1-CE1 2.77Å; E497-H541 IonicContact OE1-NE2 2.85Å; V537-H541 PolarHBondContact O-N 2.93Å; V537-H541 PolarHBondContact O-ND1 2.9Å; K538-H541 WeakPolarHBondContact O-CB 3.14Å; K538-H541 PolarHBondContact O-N 3.27Å; H541-S543 VanDerWaalsContact C-N 3.34Å; H541-K544 PolarHBondContact O-N 3.22Å; H541-R545 WeakPolarHBondContact O-CB 3.43Å; H541-R545 PolarHBondContact O-N 3.33Å
542	D	95.1	Very high	93	Very high	73 Å²	73	87 Å²	87	39%	0.39	40%	0.398	S	S	.	.	H	α-helix	trans	-65.9	-38.6	178	-71	-24.8	0	0	0	111.1	K538 E539 R545 K546	K538-D542 PolarHBondContact O-N 3.18Å; E539-D542 PolarHBondContact O-N 2.93Å; D542-R545 PolarHBondContact O-N 2.86Å; D542-K546 PolarHBondContact O-N 3.42Å
543	S	94.8	Very high	93.3	Very high	62 Å²	62	83.6 Å²	83.6	43%	0.434	39%	0.39	S	S	.	.	H	α-helix	trans	-64.5	-44	175	-58.4	0	0	0	0	112.2	E539 I540 H541 K546 L547	E539-S543 WeakPolarHBondContact O-CB 3.49Å; E539-S543 PolarHBondContact O-N 2.87Å; E539-S543 PolarHBondContact O-OG 3.39Å; I540-S543 PolarHBondContact O-N 3.41Å; H541-S543 VanDerWaalsContact C-N 3.34Å; S543-K546 PolarHBondContact O-N 3.12Å; S543-L547 PolarHBondContact O-N 3.42Å; S543-L547 VanDerWaalsContact O-N 3.1Å
544	K	94.6	Very high	93.5	Very high	43 Å²	43	83.1 Å²	83.1	19%	0.187	39%	0.387	C	S	.	.	H	α-helix	trans	-59.4	-48.9	173.2	173	-173.6	159.4	-176.8	0	110.9	F489 N490 I493 I540 H541 K546 L547 E548	F489-K544 HydrophobicContact CB-CB 4.21Å; F489-K544 HydrophobicContact CB-CG 4.31Å; F489-K544 HydrophobicContact CG-CB 4.38Å; N490-K544 WeakPolarHBondContact OD1-CD 3.26Å; N490-K544 WeakPolarHBondContact OD1-CE 3.43Å; N490-K544 PolarHBondContact OD1-NZ 3.17Å; I493-K544 HydrophobicContact CD1-CB 4.2Å; I493-K544 HydrophobicContact CD1-CD 3.51Å; I493-K544 HydrophobicContact CD1-CG 4.46Å; I540-K544 WeakPolarHBondContact O-CB 3.41Å; I540-K544 PolarHBondContact O-N 3.09Å; H541-K544 PolarHBondContact O-N 3.22Å; K544-K546 VanDerWaalsContact C-N 3.27Å; K544-K546 PolarHBondContact O-N 2.79Å; K544-L547 PolarHBondContact O-N 2.96Å; K544-L547 VanDerWaalsContact O-N 3.09Å; K544-E548 WeakPolarHBondContact CE-OE1 3.36Å; K544-E548 HydrophobicContact CG-CG 4.34Å; K544-E548 IonicContact NZ-OE1 3.05Å; K544-E548 WeakPolarHBondContact O-CG 3.45Å; K544-E548 PolarHBondContact O-N 3.03Å
545	R	95.5	Very high	93.8	Very high	160 Å²	160	78.1 Å²	78.1	60%	0.604	37%	0.369	S	S	*	.	H	α-helix	trans	-59.7	-39.2	-178.9	-172.4	-174.8	-65.4	166.9	2	111.8	H541 D542 E548 Q549	H541-R545 WeakPolarHBondContact O-CB 3.43Å; H541-R545 PolarHBondContact O-N 3.33Å; D542-R545 PolarHBondContact O-N 2.86Å; R545-E548 PolarHBondContact O-N 3.49Å; R545-Q549 PolarHBondContact O-N 3.44Å
546	K	96	Very high	93.9	Very high	138 Å²	138	78.6 Å²	78.6	60%	0.6	37%	0.372	S	S	*	.	H	α-helix	trans	-63.2	-45.6	174.7	-171.7	173.4	-178.6	179.5	0	111.5	D542 S543 K544 E548 Q549 D550	D542-K546 PolarHBondContact O-N 3.42Å; S543-K546 PolarHBondContact O-N 3.12Å; K544-K546 VanDerWaalsContact C-N 3.27Å; K544-K546 PolarHBondContact O-N 2.79Å; K546-E548 VanDerWaalsContact C-N 3.33Å; K546-E548 PolarHBondContact O-N 3.42Å; K546-Q549 WeakPolarHBondContact O-CB 3.41Å; K546-Q549 PolarHBondContact O-N 2.88Å; K546-Q549 VanDerWaalsContact O-N 3.16Å; K546-D550 PolarHBondContact O-N 3.21Å
547	L	95.1	Very high	94	Very high	29 Å²	29	76.2 Å²	76.2	15%	0.152	37%	0.369	C	S	.	.	H	α-helix	trans	-64.3	-36.6	177.1	-172.6	63	0	0	0	112.7	K482 A485 I486 F489 S543 K544 Q549 D550 L551	K482-L547 HydrophobicContact CB-CD1 4.49Å; K482-L547 HydrophobicContact CD-CD1 4.31Å; K482-L547 HydrophobicContact CG-CD1 4.07Å; A485-L547 HydrophobicContact CB-CD2 3.79Å; I486-L547 HydrophobicContact CD1-CG 4.3Å; I486-L547 HydrophobicContact CG1-CB 4.44Å; I486-L547 HydrophobicContact CG1-CD2 3.73Å; I486-L547 HydrophobicContact CG1-CG 3.91Å; F489-L547 HydrophobicContact CD2-CD2 3.8Å; F489-L547 HydrophobicContact CE2-CD2 3.7Å; S543-L547 PolarHBondContact O-N 3.42Å; S543-L547 VanDerWaalsContact O-N 3.1Å; K544-L547 PolarHBondContact O-N 2.96Å; K544-L547 VanDerWaalsContact O-N 3.09Å; L547-Q549 VanDerWaalsContact C-N 3.33Å; L547-D550 PolarHBondContact O-N 2.9Å; L547-L551 WeakPolarHBondContact O-CB 3.34Å; L547-L551 PolarHBondContact O-N 2.96Å
548	E	94.4	Very high	94.2	Very high	77 Å²	77	76.1 Å²	76.1	36%	0.36	37%	0.367	S	S	.	.	H	α-helix	trans	-64.2	-37.5	173.1	-73.7	176.7	157.2	0	0	112.1	I486 K544 R545 K546 L551 K552	I486-E548 HydrophobicContact CD1-CG 3.93Å; I486-E548 HydrophobicContact CG1-CG 4.26Å; I486-E548 HydrophobicContact CG2-CG 4.33Å; K544-E548 WeakPolarHBondContact CE-OE1 3.36Å; K544-E548 HydrophobicContact CG-CG 4.34Å; K544-E548 IonicContact NZ-OE1 3.05Å; K544-E548 WeakPolarHBondContact O-CG 3.45Å; K544-E548 PolarHBondContact O-N 3.03Å; R545-E548 PolarHBondContact O-N 3.49Å; K546-E548 VanDerWaalsContact C-N 3.33Å; K546-E548 PolarHBondContact O-N 3.42Å; E548-L551 PolarHBondContact O-N 3.24Å; E548-K552 WeakPolarHBondContact O-CB 3.36Å; E548-K552 PolarHBondContact O-N 3.41Å
549	Q	96.3	Very high	94.4	Very high	129 Å²	129	77.7 Å²	77.7	60%	0.603	37%	0.37	S	S	*	.	H	α-helix	trans	-65.7	-47.3	174.1	-177	171.6	0.7	0	0	111.1	R545 K546 L547 L551 K552 E553	R545-Q549 PolarHBondContact O-N 3.44Å; K546-Q549 WeakPolarHBondContact O-CB 3.41Å; K546-Q549 PolarHBondContact O-N 2.88Å; K546-Q549 VanDerWaalsContact O-N 3.16Å; L547-Q549 VanDerWaalsContact C-N 3.33Å; Q549-L551 VanDerWaalsContact C-N 3.28Å; Q549-L551 PolarHBondContact O-N 2.93Å; Q549-K552 WeakPolarHBondContact O-CB 3.37Å; Q549-K552 PolarHBondContact O-N 3.44Å; Q549-K552 VanDerWaalsContact O-N 3.08Å; Q549-E553 PolarHBondContact O-N 2.79Å
550	D	94.4	Very high	94.4	Very high	57 Å²	57	78.1 Å²	78.1	31%	0.305	37%	0.372	S	S	.	.	H	α-helix	trans	-62.7	-35.2	177.1	-63.9	-8.9	0	0	0	111.7	K546 L547 Q554	K546-D550 PolarHBondContact O-N 3.21Å; L547-D550 PolarHBondContact O-N 2.9Å; D550-Q554 WeakPolarHBondContact O-CB 3.31Å; D550-Q554 PolarHBondContact O-N 2.96Å; D550-Q554 VanDerWaalsContact O-N 3.11Å
551	L	95.1	Very high	94.5	Very high	28 Å²	28	78.1 Å²	78.1	15%	0.147	37%	0.371	C	S	.	.	H	α-helix	trans	-63.8	-45.8	172.6	-177.5	79.4	0	0	0	110.3	L479 K482 R483 I486 L547 E548 Q549 Q554 V555	L479-L551 HydrophobicContact CD2-CD1 3.54Å; L479-L551 HydrophobicContact CD2-CG 4.26Å; K482-L551 HydrophobicContact CB-CD1 3.64Å; K482-L551 HydrophobicContact CD-CD1 4.43Å; R483-L551 HydrophobicContact CG-CD1 4.08Å; R483-L551 HydrophobicContact CG-CD2 4.18Å; I486-L551 HydrophobicContact CD1-CB 4.17Å; I486-L551 HydrophobicContact CD1-CD2 3.72Å; I486-L551 HydrophobicContact CD1-CG 4.43Å; L547-L551 WeakPolarHBondContact O-CB 3.34Å; L547-L551 PolarHBondContact O-N 2.96Å; E548-L551 PolarHBondContact O-N 3.24Å; Q549-L551 VanDerWaalsContact C-N 3.28Å; Q549-L551 PolarHBondContact O-N 2.93Å; L551-Q554 PolarHBondContact O-N 3.44Å; L551-V555 HydrophobicContact CG-CG2 4.48Å; L551-V555 VanDerWaalsContact O-CG2 3.29Å; L551-V555 WeakPolarHBondContact O-CG2 3.46Å; L551-V555 PolarHBondContact O-N 3.32Å
552	K	94.4	Very high	94.5	Very high	165 Å²	165	78 Å²	78	72%	0.717	37%	0.373	S	S	*	.	H	α-helix	trans	-64.4	-41.5	-178	-174.6	-179.8	178.8	-177.8	0	112.2	E548 Q549 V555 S556	E548-K552 WeakPolarHBondContact O-CB 3.36Å; E548-K552 PolarHBondContact O-N 3.41Å; Q549-K552 WeakPolarHBondContact O-CB 3.37Å; Q549-K552 PolarHBondContact O-N 3.44Å; Q549-K552 VanDerWaalsContact O-N 3.08Å; K552-V555 PolarHBondContact O-N 3.33Å; K552-S556 PolarHBondContact O-N 3.5Å
553	E	94.9	Very high	94.5	Very high	119 Å²	119	81.8 Å²	81.8	56%	0.556	39%	0.386	S	S	*	.	H	α-helix	trans	-60.8	-51.3	174.3	-174	168.3	-163.9	0	0	110.3	Q549 V555 S556 D557	Q549-E553 PolarHBondContact O-N 2.79Å; E553-V555 VanDerWaalsContact C-N 3.31Å; E553-V555 PolarHBondContact O-N 3.5Å; E553-S556 WeakPolarHBondContact O-CA 3.39Å; E553-S556 WeakPolarHBondContact O-CB 3.46Å; E553-S556 PolarHBondContact O-N 2.95Å; E553-D557 PolarHBondContact O-N 3.3Å
554	Q	93.6	Very high	94.5	Very high	19 Å²	19	83.2 Å²	83.2	9%	0.089	38%	0.384	C	S	.	.	H	α-helix	trans	-63.9	-32.3	179.7	-165.5	168.8	17.7	0	0	113.6	T475 E478 L479 D550 L551 S556 D557 N558	T475-Q554 HydrophobicContact CG2-CG 3.53Å; E478-Q554 PolarHBondContact OE2-NE2 2.86Å; L479-Q554 HydrophobicContact CD2-CB 4.09Å; L479-Q554 HydrophobicContact CD2-CG 4.18Å; L479-Q554 HydrophobicContact CG-CG 4.11Å; D550-Q554 WeakPolarHBondContact O-CB 3.31Å; D550-Q554 PolarHBondContact O-N 2.96Å; D550-Q554 VanDerWaalsContact O-N 3.11Å; L551-Q554 PolarHBondContact O-N 3.44Å; Q554-S556 VanDerWaalsContact C-N 3.29Å; Q554-S556 PolarHBondContact O-N 3.42Å; Q554-D557 PolarHBondContact O-N 2.87Å; Q554-N558 WeakPolarHBondContact O-CB 3.27Å; Q554-N558 PolarHBondContact O-N 2.86Å
555	V	94.6	Very high	94.5	Very high	36 Å²	36	81.5 Å²	81.5	22%	0.218	38%	0.377	C	S	.	.	H	α-helix	trans	-63.7	-37.5	171.3	167.9	0	0	0	0	111	L479 L551 K552 E553 R559	L479-V555 HydrophobicContact CD1-CG2 4.43Å; L479-V555 HydrophobicContact CD2-CB 4.33Å; L479-V555 HydrophobicContact CD2-CG2 3.37Å; L551-V555 HydrophobicContact CG-CG2 4.48Å; L551-V555 VanDerWaalsContact O-CG2 3.29Å; L551-V555 WeakPolarHBondContact O-CG2 3.46Å; L551-V555 PolarHBondContact O-N 3.32Å; K552-V555 PolarHBondContact O-N 3.33Å; E553-V555 VanDerWaalsContact C-N 3.31Å; E553-V555 PolarHBondContact O-N 3.5Å; V555-R559 WeakPolarHBondContact O-CG 3.42Å; V555-R559 PolarHBondContact O-N 3.06Å; V555-R559 VanDerWaalsContact O-N 3.14Å
556	S	93.8	Very high	94.4	Very high	71 Å²	71	77.4 Å²	77.4	50%	0.497	37%	0.367	S	S	.	.	H	α-helix	trans	-65.6	-47.7	177.3	-170.9	0	0	0	0	110.9	K552 E553 Q554 N558 R559 E560	K552-S556 PolarHBondContact O-N 3.5Å; E553-S556 WeakPolarHBondContact O-CA 3.39Å; E553-S556 WeakPolarHBondContact O-CB 3.46Å; E553-S556 PolarHBondContact O-N 2.95Å; Q554-S556 VanDerWaalsContact C-N 3.29Å; Q554-S556 PolarHBondContact O-N 3.42Å; S556-N558 VanDerWaalsContact C-N 3.34Å; S556-N558 PolarHBondContact O-N 3.46Å; S556-R559 WeakPolarHBondContact O-CB 3.3Å; S556-R559 PolarHBondContact O-N 2.92Å; S556-R559 VanDerWaalsContact O-N 3.15Å; S556-E560 PolarHBondContact O-N 3.14Å
557	D	91.6	Very high	94.3	Very high	78 Å²	78	74.2 Å²	74.2	42%	0.417	36%	0.362	S	S	.	.	H	α-helix	trans	-61.9	-43.4	179	-60.6	-17.6	0	0	0	111	E553 Q554 R559 E560 I561	E553-D557 PolarHBondContact O-N 3.3Å; Q554-D557 PolarHBondContact O-N 2.87Å; D557-R559 VanDerWaalsContact C-N 3.27Å; D557-R559 PolarHBondContact O-N 3.02Å; D557-E560 WeakPolarHBondContact O-CA 3.36Å; D557-E560 WeakPolarHBondContact O-CB 3.3Å; D557-E560 PolarHBondContact O-N 3.31Å; D557-I561 WeakPolarHBondContact O-CG1 3.28Å; D557-I561 PolarHBondContact O-N 2.81Å
558	N	94.3	Very high	94.2	Very high	20 Å²	20	73.5 Å²	73.5	11%	0.107	36%	0.358	C	S	.	.	H	α-helix	trans	-61.9	-34.4	177	-160.8	46	0	0	0	112.8	Y472 T475 L479 Q554 S556 E560 D562	Y472-N558 WeakPolarHBondContact CD2-OD1 3.21Å; T475-N558 HydrophobicContact CG2-CB 3.77Å; L479-N558 HydrophobicContact CD1-CB 3.91Å; Q554-N558 WeakPolarHBondContact O-CB 3.27Å; Q554-N558 PolarHBondContact O-N 2.86Å; S556-N558 VanDerWaalsContact C-N 3.34Å; S556-N558 PolarHBondContact O-N 3.46Å; N558-E560 VanDerWaalsContact C-N 3.34Å; N558-D562 PolarHBondContact O-N 3.39Å; N558-D562 VanDerWaalsContact O-N 3.11Å
559	R	93.9	Very high	94	Very high	170 Å²	170	74 Å²	74	64%	0.642	36%	0.36	S	S	*	.	H	α-helix	trans	-70.3	-30.9	172.9	-75.3	172.9	175.6	-176	-0.7	112.2	V555 S556 D557 K563	V555-R559 WeakPolarHBondContact O-CG 3.42Å; V555-R559 PolarHBondContact O-N 3.06Å; V555-R559 VanDerWaalsContact O-N 3.14Å; S556-R559 WeakPolarHBondContact O-CB 3.3Å; S556-R559 PolarHBondContact O-N 2.92Å; S556-R559 VanDerWaalsContact O-N 3.15Å; D557-R559 VanDerWaalsContact C-N 3.27Å; D557-R559 PolarHBondContact O-N 3.02Å; R559-K563 WeakPolarHBondContact O-CG 3.28Å; R559-K563 PolarHBondContact O-N 3.14Å; R559-K563 VanDerWaalsContact O-N 3.13Å
560	E	94.5	Very high	93.7	Very high	96 Å²	96	71.1 Å²	71.1	45%	0.449	35%	0.352	S	S	.	.	H	α-helix	trans	-70.8	-42.3	174.9	-166.2	-177.9	143.8	0	0	111.4	S556 D557 N558 D562 K563 K564	S556-E560 PolarHBondContact O-N 3.14Å; D557-E560 WeakPolarHBondContact O-CA 3.36Å; D557-E560 WeakPolarHBondContact O-CB 3.3Å; D557-E560 PolarHBondContact O-N 3.31Å; N558-E560 VanDerWaalsContact C-N 3.34Å; E560-D562 VanDerWaalsContact C-N 3.33Å; E560-D562 PolarHBondContact O-N 3.16Å; E560-K563 WeakPolarHBondContact O-CB 3.44Å; E560-K563 PolarHBondContact O-N 3.32Å; E560-K564 WeakPolarHBondContact O-CG 3.25Å; E560-K564 PolarHBondContact O-N 3.4Å; E560-K564 WeakPolarHBondContact OE1-CE 3.49Å; E560-K564 IonicContact OE1-NZ 3.74Å; E560-K564 PolarHBondContact OE1-NZ 3.19Å
561	I	94.3	Very high	93.5	Very high	9 Å²	9	71.8 Å²	71.8	5%	0.046	36%	0.356	C	S	.	.	H	α-helix	trans	-58	-46.7	173.6	-63.6	168.2	0	0	0	110.3	L468 E471 Y472 D557 K563 K564 M565	L468-I561 HydrophobicContact CB-CG2 4.25Å; L468-I561 HydrophobicContact CD2-CG2 4.25Å; L468-I561 WeakPolarHBondContact O-CG2 3.44Å; E471-I561 HydrophobicContact CB-CD1 4.29Å; E471-I561 HydrophobicContact CG-CD1 3.74Å; Y472-I561 HydrophobicContact CD2-CG2 4.42Å; D557-I561 WeakPolarHBondContact O-CG1 3.28Å; D557-I561 PolarHBondContact O-N 2.81Å; I561-K563 VanDerWaalsContact C-N 3.33Å; I561-K563 PolarHBondContact O-N 3.46Å; I561-K564 PolarHBondContact O-N 3.08Å; I561-K564 VanDerWaalsContact O-N 3.14Å; I561-M565 PolarHBondContact O-N 2.99Å
562	D	93.8	Very high	93.3	Very high	59 Å²	59	71.5 Å²	71.5	32%	0.316	35%	0.354	S	S	.	.	H	α-helix	trans	-61	-39.8	177.5	-174.8	31.7	0	0	0	112.2	Y472 N558 E560 M565 N566	Y472-D562 HydrophobicContact CE2-CB 4.31Å; N558-D562 PolarHBondContact O-N 3.39Å; N558-D562 VanDerWaalsContact O-N 3.11Å; E560-D562 VanDerWaalsContact C-N 3.33Å; E560-D562 PolarHBondContact O-N 3.16Å; D562-M565 PolarHBondContact O-N 3.49Å; D562-N566 WeakPolarHBondContact O-CB 3.3Å; D562-N566 VanDerWaalsContact O-CG 3.23Å; D562-N566 PolarHBondContact O-N 2.59Å; D562-N566 PolarHBondContact O-ND2 2.94Å; D562-N566 PolarHBondContact OD1-ND2 3.04Å
563	K	94.9	Very high	92.8	Very high	153 Å²	153	69.9 Å²	69.9	67%	0.665	35%	0.35	S	S	*	.	H	α-helix	trans	-61.4	-45.3	173	-74.3	172.6	-176.1	177.5	0	112.2	R559 E560 I561 N566 S567	R559-K563 WeakPolarHBondContact O-CG 3.28Å; R559-K563 PolarHBondContact O-N 3.14Å; R559-K563 VanDerWaalsContact O-N 3.13Å; E560-K563 WeakPolarHBondContact O-CB 3.44Å; E560-K563 PolarHBondContact O-N 3.32Å; I561-K563 VanDerWaalsContact C-N 3.33Å; I561-K563 PolarHBondContact O-N 3.46Å; K563-N566 PolarHBondContact O-N 3.4Å; K563-S567 PolarHBondContact O-N 2.96Å; K563-S567 PolarHBondContact O-OG 3.01Å
564	K	94.1	Very high	92.4	Very high	91 Å²	91	69.3 Å²	69.3	40%	0.396	35%	0.348	S	S	.	.	H	α-helix	trans	-61.3	-48.9	177.7	-71.5	174.2	-176.4	162.1	0	110.7	L468 E560 I561 N566 S567 L568	L468-K564 HydrophobicContact CD1-CB 3.94Å; L468-K564 HydrophobicContact CD2-CD 4.46Å; E560-K564 WeakPolarHBondContact O-CG 3.25Å; E560-K564 PolarHBondContact O-N 3.4Å; E560-K564 WeakPolarHBondContact OE1-CE 3.49Å; E560-K564 IonicContact OE1-NZ 3.74Å; E560-K564 PolarHBondContact OE1-NZ 3.19Å; I561-K564 PolarHBondContact O-N 3.08Å; I561-K564 VanDerWaalsContact O-N 3.14Å; K564-N566 PolarHBondContact O-N 3.35Å; K564-S567 PolarHBondContact O-N 3.43Å; K564-S567 PolarHBondContact O-OG 2.92Å; K564-L568 WeakPolarHBondContact O-CG 3.28Å; K564-L568 PolarHBondContact O-N 3.32Å
565	M	95.4	Very high	92.1	Very high	8 Å²	8	69.1 Å²	69.1	4%	0.039	35%	0.347	C	S	.	.	H	α-helix	trans	-55.8	-47.8	174.2	-96.7	174.1	43.8	0	0	112.4	Y465 L468 Y469 I561 D562 S567 L568 K569	Y465-M565 HydrophobicContact CD2-CB 4.44Å; Y465-M565 HydrophobicContact CD2-CG 3.91Å; Y465-M565 HydrophobicContact CE2-CB 4.05Å; Y465-M565 HydrophobicContact CE2-CE 4.27Å; Y465-M565 HydrophobicContact CE2-CG 3.7Å; Y465-M565 HydrophobicContact CE2-SD 4.48Å; L468-M565 HydrophobicContact CB-CG 3.94Å; L468-M565 HydrophobicContact CB-SD 4.45Å; Y469-M565 HydrophobicContact CD2-CE 3.96Å; Y469-M565 HydrophobicContact CD2-SD 4.1Å; I561-M565 PolarHBondContact O-N 2.99Å; D562-M565 PolarHBondContact O-N 3.49Å; M565-S567 VanDerWaalsContact C-N 3.28Å; M565-S567 PolarHBondContact O-N 3.38Å; M565-L568 PolarHBondContact O-N 3.12Å; M565-L568 VanDerWaalsContact O-N 3.13Å; M565-K569 WeakPolarHBondContact O-CG 3.28Å; M565-K569 PolarHBondContact O-N 3Å
566	N	93.4	Very high	91.7	Very high	73 Å²	73	74 Å²	74	39%	0.39	36%	0.362	S	S	.	.	H	α-helix	trans	-68.7	-26.4	-178.5	-69.1	-38.1	0	0	0	113	D562 K563 K564 K569 P570	D562-N566 WeakPolarHBondContact O-CB 3.3Å; D562-N566 VanDerWaalsContact O-CG 3.23Å; D562-N566 PolarHBondContact O-N 2.59Å; D562-N566 PolarHBondContact O-ND2 2.94Å; D562-N566 PolarHBondContact OD1-ND2 3.04Å; K563-N566 PolarHBondContact O-N 3.4Å; K564-N566 PolarHBondContact O-N 3.35Å; N566-K569 PolarHBondContact OD1-NZ 3.29Å; N566-P570 WeakPolarHBondContact O-CD 3.24Å
567	S	93.8	Very high	91.2	Very high	71 Å²	71	77.5 Å²	77.5	50%	0.497	37%	0.368	S	S	.	.	H	α-helix	trans	-74	-31.7	169.9	67.9	0	0	0	0	113.5	K563 K564 M565 P570	K563-S567 PolarHBondContact O-N 2.96Å; K563-S567 PolarHBondContact O-OG 3.01Å; K564-S567 PolarHBondContact O-N 3.43Å; K564-S567 PolarHBondContact O-OG 2.92Å; M565-S567 VanDerWaalsContact C-N 3.28Å; M565-S567 PolarHBondContact O-N 3.38Å; S567-P570 WeakPolarHBondContact O-CD 3.41Å; S567-P570 WeakPolarHBondContact O-CG 3.46Å
568	L	92.7	Very high	90.8	Very high	14 Å²	14	76.1 Å²	76.1	7%	0.073	36%	0.36	C	S	.	.	H	α-helix	trans	-79.1	-30.7	178.8	-72	170.8	0	0	0	113.3	K461 E464 L468 K564 M565 D571 L572	K461-L568 HydrophobicContact CD-CD2 4.33Å; E464-L568 HydrophobicContact CG-CD1 3.96Å; L468-L568 HydrophobicContact CD1-CD1 3.55Å; K564-L568 WeakPolarHBondContact O-CG 3.28Å; K564-L568 PolarHBondContact O-N 3.32Å; M565-L568 PolarHBondContact O-N 3.12Å; M565-L568 VanDerWaalsContact O-N 3.13Å; L568-D571 WeakPolarHBondContact O-CB 3.41Å; L568-D571 PolarHBondContact O-N 2.91Å; L568-L572 WeakPolarHBondContact O-CB 3.33Å; L568-L572 PolarHBondContact O-N 3.06Å
569	K	89.9	Confident	90.4	Very high	89 Å²	89	77 Å²	77	39%	0.387	36%	0.362	S	S	.	.	H	α-helix	trans	-50.2	-53.2	178	-78.9	175.1	-173	166.9	0	114.5	Y465 M565 N566 D571 L572 M573	Y465-K569 HydrophobicContact CE2-CD 4.49Å; Y465-K569 HydrophobicContact CE2-CG 3.8Å; Y465-K569 WeakPolarHBondContact OH-CE 3.16Å; M565-K569 WeakPolarHBondContact O-CG 3.28Å; M565-K569 PolarHBondContact O-N 3Å; N566-K569 PolarHBondContact OD1-NZ 3.29Å; K569-D571 VanDerWaalsContact C-N 3.33Å; K569-D571 PolarHBondContact O-N 3.44Å; K569-L572 PolarHBondContact O-N 2.82Å; K569-M573 PolarHBondContact O-N 3.05Å
570	P	90.9	Very high	89.9	Confident	68 Å²	68	70.9 Å²	70.9	44%	0.442	34%	0.342	S	S	.	.	H	α-helix	trans	-63.7	-39.7	179.4	24.8	-34.4	0	0	0	111.9	N566 S567 M573 Q574	N566-P570 WeakPolarHBondContact O-CD 3.24Å; S567-P570 WeakPolarHBondContact O-CD 3.41Å; S567-P570 WeakPolarHBondContact O-CG 3.46Å; P570-M573 PolarHBondContact O-N 3.33Å; P570-Q574 WeakPolarHBondContact O-CG 3.34Å; P570-Q574 PolarHBondContact O-N 3.43Å
571	D	88.9	Confident	89.2	Confident	71 Å²	71	68.3 Å²	68.3	38%	0.38	33%	0.33	S	S	.	.	H	α-helix	trans	-62	-44.7	178	-80	5.2	0	0	0	112	K461 L568 K569 M573 Q574 L575	K461-D571 HydrophobicContact CD-CB 4.09Å; K461-D571 IonicContact NZ-OD2 3.65Å; K461-D571 PolarHBondContact NZ-OD2 3.29Å; L568-D571 WeakPolarHBondContact O-CB 3.41Å; L568-D571 PolarHBondContact O-N 2.91Å; K569-D571 VanDerWaalsContact C-N 3.33Å; K569-D571 PolarHBondContact O-N 3.44Å; D571-M573 VanDerWaalsContact C-N 3.33Å; D571-M573 PolarHBondContact O-N 2.93Å; D571-Q574 PolarHBondContact O-N 2.96Å; D571-L575 WeakPolarHBondContact O-CB 3.25Å; D571-L575 WeakPolarHBondContact O-CG 3.47Å; D571-L575 PolarHBondContact O-N 3.21Å
572	L	90.7	Very high	88.6	Confident	22 Å²	22	68.8 Å²	68.8	12%	0.115	33%	0.332	C	S	.	.	H	α-helix	trans	-59.9	-43.4	174.6	-89	167.3	0	0	0	111.9	Y458 K461 Y465 L568 K569 L575 R576	Y458-L572 HydrophobicContact CD2-CD2 3.92Å; Y458-L572 HydrophobicContact CE2-CD2 3.81Å; K461-L572 HydrophobicContact CB-CD2 4.02Å; K461-L572 HydrophobicContact CB-CG 4.23Å; Y465-L572 HydrophobicContact CD2-CD1 4.09Å; Y465-L572 HydrophobicContact CG-CD1 3.9Å; L568-L572 WeakPolarHBondContact O-CB 3.33Å; L568-L572 PolarHBondContact O-N 3.06Å; K569-L572 PolarHBondContact O-N 2.82Å; L572-L575 PolarHBondContact O-N 3.03Å; L572-R576 VanDerWaalsContact O-CB 3.3Å; L572-R576 WeakPolarHBondContact O-CB 3.26Å; L572-R576 PolarHBondContact O-N 3.01Å
573	M	85	Confident	88.1	Confident	130 Å²	130	67.8 Å²	67.8	64%	0.64	33%	0.326	S	S	*	.	H	α-helix	trans	-66.5	-40.3	179.1	-168.4	167.2	-177.5	0	0	112	K569 P570 D571 K577	K569-M573 PolarHBondContact O-N 3.05Å; P570-M573 PolarHBondContact O-N 3.33Å; D571-M573 VanDerWaalsContact C-N 3.33Å; D571-M573 PolarHBondContact O-N 2.93Å; M573-K577 WeakPolarHBondContact O-CB 3.18Å; M573-K577 PolarHBondContact O-N 3.49Å
574	Q	86.1	Confident	87.4	Confident	107 Å²	107	63.6 Å²	63.6	50%	0.5	31%	0.31	S	S	.	.	H	α-helix	trans	-66	-47.1	175.1	-68.9	-55.2	-40.6	0	0	111.7	P570 D571 R576 K577 I578	P570-Q574 WeakPolarHBondContact O-CG 3.34Å; P570-Q574 PolarHBondContact O-N 3.43Å; D571-Q574 PolarHBondContact O-N 2.96Å; Q574-R576 VanDerWaalsContact C-N 3.32Å; Q574-R576 PolarHBondContact O-N 3.09Å; Q574-K577 PolarHBondContact O-N 2.81Å; Q574-K577 VanDerWaalsContact O-N 3.17Å; Q574-I578 VanDerWaalsContact O-CG1 3.28Å; Q574-I578 WeakPolarHBondContact O-CG1 3.43Å; Q574-I578 PolarHBondContact O-N 2.91Å
575	L	88.4	Confident	86.8	Confident	15 Å²	15	59.7 Å²	59.7	8%	0.079	29%	0.293	C	S	.	.	H	α-helix	trans	-61	-41.4	177.6	-76.1	171.3	0	0	0	111.8	Y454 Q457 Y458 K461 D571 L572 I578 R579	Y454-L575 HydrophobicContact CD1-CD2 3.97Å; Q457-L575 HydrophobicContact CB-CD1 4.31Å; Q457-L575 HydrophobicContact CB-CD2 4.3Å; Y458-L575 HydrophobicContact CD2-CB 4.16Å; K461-L575 HydrophobicContact CD-CD1 3.76Å; K461-L575 HydrophobicContact CG-CD1 4.38Å; D571-L575 WeakPolarHBondContact O-CB 3.25Å; D571-L575 WeakPolarHBondContact O-CG 3.47Å; D571-L575 PolarHBondContact O-N 3.21Å; L572-L575 PolarHBondContact O-N 3.03Å; L575-I578 PolarHBondContact O-N 3.04Å; L575-R579 VanDerWaalsContact O-CB 3.24Å; L575-R579 WeakPolarHBondContact O-CB 3.41Å; L575-R579 PolarHBondContact O-N 3.19Å
576	R	85.5	Confident	86.2	Confident	138 Å²	138	59.3 Å²	59.3	52%	0.521	29%	0.291	S	S	.	.	H	α-helix	trans	-58.9	-49	173.1	-179.5	177.7	174.9	-171.1	1.6	111.3	Y458 L572 Q574 I578 R579 D580	Y458-R576 HydrophobicContact CD2-CB 4.22Å; Y458-R576 HydrophobicContact CE2-CB 3.87Å; L572-R576 VanDerWaalsContact O-CB 3.3Å; L572-R576 WeakPolarHBondContact O-CB 3.26Å; L572-R576 PolarHBondContact O-N 3.01Å; Q574-R576 VanDerWaalsContact C-N 3.32Å; Q574-R576 PolarHBondContact O-N 3.09Å; R576-I578 VanDerWaalsContact C-N 3.34Å; R576-I578 PolarHBondContact O-N 3.31Å; R576-R579 PolarHBondContact O-N 3.31Å; R576-D580 WeakPolarHBondContact CG-OD2 3.48Å; R576-D580 IonicContact NE-OD2 2.91Å; R576-D580 WeakPolarHBondContact O-CB 3.41Å; R576-D580 PolarHBondContact O-N 3.01Å
577	K	84	Confident	85.4	Confident	146 Å²	146	60 Å²	60	64%	0.635	30%	0.298	S	S	*	.	H	α-helix	trans	-61.4	-42.8	-179.6	-173.1	176.1	-178	176.1	0	111.9	M573 Q574 Q581	M573-K577 WeakPolarHBondContact O-CB 3.18Å; M573-K577 PolarHBondContact O-N 3.49Å; Q574-K577 PolarHBondContact O-N 2.81Å; Q574-K577 VanDerWaalsContact O-N 3.17Å; K577-Q581 VanDerWaalsContact O-CB 3.3Å; K577-Q581 WeakPolarHBondContact O-CB 3.28Å; K577-Q581 PolarHBondContact O-N 3.25Å
578	I	83.3	Confident	84.6	Confident	49 Å²	49	61.8 Å²	61.8	25%	0.251	30%	0.298	S	S	.	.	H	α-helix	trans	-64.2	-51.8	176.6	-66.7	165.6	0	0	0	109.5	Y454 Q574 L575 R576 D580 Q581 Y582	Y454-I578 HydrophobicContact CD1-CG2 4.24Å; Y454-I578 HydrophobicContact CD2-CG2 3.71Å; Y454-I578 HydrophobicContact CE1-CG2 4.35Å; Y454-I578 HydrophobicContact CE2-CG2 3.8Å; Y454-I578 HydrophobicContact CG-CG2 3.95Å; Q574-I578 VanDerWaalsContact O-CG1 3.28Å; Q574-I578 WeakPolarHBondContact O-CG1 3.43Å; Q574-I578 PolarHBondContact O-N 2.91Å; L575-I578 PolarHBondContact O-N 3.04Å; R576-I578 VanDerWaalsContact C-N 3.34Å; R576-I578 PolarHBondContact O-N 3.31Å; I578-D580 VanDerWaalsContact C-N 3.35Å; I578-D580 PolarHBondContact O-N 3.18Å; I578-Q581 WeakPolarHBondContact O-CB 3.46Å; I578-Q581 PolarHBondContact O-N 3.34Å; I578-Q581 VanDerWaalsContact O-N 3.12Å; I578-Y582 HydrophobicContact CG2-CD2 3.86Å; I578-Y582 HydrophobicContact CG2-CE2 3.73Å; I578-Y582 VanDerWaalsContact O-CD2 3.25Å; I578-Y582 WeakPolarHBondContact O-CD2 3.46Å; I578-Y582 PolarHBondContact O-N 3.42Å
579	R	85.8	Confident	83.9	Confident	38 Å²	38	67 Å²	67	14%	0.143	32%	0.32	C	S	.	.	H	α-helix	trans	-53.2	-50.1	177.1	-179.5	-158.2	69.1	-171.7	6.2	112	L451 L575 R576 Q581 Y582 L583	L451-R579 HydrophobicContact CD1-CG 3.8Å; L575-R579 VanDerWaalsContact O-CB 3.24Å; L575-R579 WeakPolarHBondContact O-CB 3.41Å; L575-R579 PolarHBondContact O-N 3.19Å; R576-R579 PolarHBondContact O-N 3.31Å; R579-Q581 VanDerWaalsContact C-N 3.27Å; R579-Q581 PolarHBondContact O-N 2.92Å; R579-Y582 PolarHBondContact O-N 3.28Å; R579-L583 HydrophobicContact CG-CD1 4.32Å; R579-L583 WeakPolarHBondContact O-CG 3.45Å; R579-L583 PolarHBondContact O-N 3.47Å
580	D	82.2	Confident	83.2	Confident	41 Å²	41	65.9 Å²	65.9	22%	0.219	33%	0.334	C	S	.	.	H	α-helix	trans	-64.8	-34.8	-178.1	-65.8	-10.7	0	0	0	111	R576 I578 L583 I584	R576-D580 WeakPolarHBondContact CG-OD2 3.48Å; R576-D580 IonicContact NE-OD2 2.91Å; R576-D580 WeakPolarHBondContact O-CB 3.41Å; R576-D580 PolarHBondContact O-N 3.01Å; I578-D580 VanDerWaalsContact C-N 3.35Å; I578-D580 PolarHBondContact O-N 3.18Å; D580-L583 PolarHBondContact O-N 3.48Å; D580-I584 VanDerWaalsContact O-CG1 3.28Å; D580-I584 WeakPolarHBondContact O-CG1 3.43Å; D580-I584 PolarHBondContact O-N 3.39Å
581	Q	80.9	Confident	82.7	Confident	43 Å²	43	63.6 Å²	63.6	20%	0.201	32%	0.319	C	S	.	.	H	α-helix	trans	-66.9	-38.9	174.5	-172.8	57.7	73.6	0	0	113.1	K577 I578 R579 W585	K577-Q581 VanDerWaalsContact O-CB 3.3Å; K577-Q581 WeakPolarHBondContact O-CB 3.28Å; K577-Q581 PolarHBondContact O-N 3.25Å; I578-Q581 WeakPolarHBondContact O-CB 3.46Å; I578-Q581 PolarHBondContact O-N 3.34Å; I578-Q581 VanDerWaalsContact O-N 3.12Å; R579-Q581 VanDerWaalsContact C-N 3.27Å; R579-Q581 PolarHBondContact O-N 2.92Å; Q581-W585 PolarHBondContact O-N 3.37Å; Q581-W585 VanDerWaalsContact O-N 3.08Å
582	Y	81.9	Confident	82.2	Confident	19 Å²	19	70.3 Å²	70.3	8%	0.075	34%	0.339	C	S	.	.	H	α-helix	trans	-68.7	-37.8	174.8	-86.4	-110.4	0	0	0	111.5	V439 V447 Q450 L451 Y454 I578 R579 W585 L586	V439-Y582 HydrophobicContact CG1-CE1 4.45Å; V439-Y582 HydrophobicContact CG2-CD1 4.13Å; V439-Y582 HydrophobicContact CG2-CD2 4.04Å; V439-Y582 HydrophobicContact CG2-CE1 3.95Å; V439-Y582 HydrophobicContact CG2-CE2 3.9Å; V439-Y582 HydrophobicContact CG2-CG 4.16Å; V447-Y582 HydrophobicContact CG1-CD1 3.49Å; V447-Y582 VanDerWaalsContact CG1-CD1 3.49Å; V447-Y582 HydrophobicContact CG1-CE1 3.87Å; V447-Y582 HydrophobicContact CG1-CG 4.44Å; V447-Y582 WeakPolarHBondContact O-CD1 3.18Å; Q450-Y582 HydrophobicContact CB-CE1 3.82Å; Q450-Y582 HydrophobicContact CG-CE1 3.84Å; L451-Y582 HydrophobicContact CB-CD1 4.35Å; Y454-Y582 HydrophobicContact CD2-CE2 4.26Å; Y454-Y582 HydrophobicContact CE2-CE2 4.04Å; Y454-Y582 AromaticContact CE2-CZ 3.92Å; I578-Y582 HydrophobicContact CG2-CD2 3.86Å; I578-Y582 HydrophobicContact CG2-CE2 3.73Å; I578-Y582 VanDerWaalsContact O-CD2 3.25Å; I578-Y582 WeakPolarHBondContact O-CD2 3.46Å; I578-Y582 PolarHBondContact O-N 3.42Å; R579-Y582 PolarHBondContact O-N 3.28Å; Y582-W585 WeakPolarHBondContact O-CB 3.45Å; Y582-W585 PolarHBondContact O-N 3.32Å; Y582-L586 WeakPolarHBondContact O-CG 3.38Å; Y582-L586 PolarHBondContact O-N 3.11Å
583	L	82.1	Confident	81.6	Confident	37 Å²	37	74.8 Å²	74.8	19%	0.194	36%	0.359	C	S	.	.	H	α-helix	trans	-60.3	-50.6	173.3	-74.9	171.1	0	0	0	111.5	L451 R579 D580 W585 L586 T587 I596 L600	L451-L583 HydrophobicContact CD1-CD2 4.32Å; L451-L583 HydrophobicContact CD1-CG 4.08Å; L451-L583 HydrophobicContact CD2-CD2 3.65Å; L451-L583 HydrophobicContact CD2-CG 4.25Å; R579-L583 HydrophobicContact CG-CD1 4.32Å; R579-L583 WeakPolarHBondContact O-CG 3.45Å; R579-L583 PolarHBondContact O-N 3.47Å; D580-L583 PolarHBondContact O-N 3.48Å; L583-W585 VanDerWaalsContact C-N 3.26Å; L583-W585 PolarHBondContact O-N 2.91Å; L583-L586 PolarHBondContact O-N 3Å; L583-T587 PolarHBondContact O-N 3.31Å; L583-T587 PolarHBondContact O-OG1 3.4Å; L583-T587 VanDerWaalsContact O-OG1 3.05Å; L583-I596 HydrophobicContact CD2-CG2 3.5Å; L583-L600 HydrophobicContact CD2-CD1 4.04Å; L583-L600 HydrophobicContact CD2-CD2 4.21Å; L583-L600 HydrophobicContact CD2-CG 4.34Å
584	I	80.7	Confident	81.2	Confident	66 Å²	66	76.2 Å²	76.2	34%	0.338	36%	0.362	S	S	.	.	H	α-helix	trans	-57.8	-41.7	177	-67.9	164.3	0	0	0	110.8	D580 T587 Q588	D580-I584 VanDerWaalsContact O-CG1 3.28Å; D580-I584 WeakPolarHBondContact O-CG1 3.43Å; D580-I584 PolarHBondContact O-N 3.39Å; I584-T587 PolarHBondContact O-N 2.98Å; I584-Q588 HydrophobicContact CG2-CG 4.3Å; I584-Q588 WeakPolarHBondContact O-CB 3.44Å; I584-Q588 VanDerWaalsContact O-CG 3.26Å; I584-Q588 WeakPolarHBondContact O-CG 3.19Å; I584-Q588 PolarHBondContact O-N 2.82Å
585	W	81.1	Confident	80.9	Confident	9 Å²	9	74.1 Å²	74.1	3%	0.034	35%	0.352	C	S	.	.	H	α-helix	trans	-59.6	-48.3	177.4	-171.2	108.1	0	0	0	111.9	V439 E441 I444 V447 Q581 Y582 L583 T587 Q588 K589	V439-W585 HydrophobicContact CB-CG 4.28Å; V439-W585 HydrophobicContact CG1-CD2 4.24Å; V439-W585 HydrophobicContact CG1-CG 4.39Å; V439-W585 HydrophobicContact CG1-CZ2 4.28Å; V439-W585 HydrophobicContact CG2-CB 4.34Å; V439-W585 HydrophobicContact CG2-CG 4.09Å; E441-W585 WeakPolarHBondContact O-CZ2 3.33Å; I444-W585 HydrophobicContact CB-CZ3 4.42Å; I444-W585 HydrophobicContact CG1-CH2 4.1Å; I444-W585 HydrophobicContact CG1-CZ3 4.04Å; V447-W585 HydrophobicContact CB-CE3 4.05Å; V447-W585 HydrophobicContact CB-CH2 4.23Å; V447-W585 HydrophobicContact CB-CZ3 3.77Å; V447-W585 HydrophobicContact CG1-CD2 4.03Å; V447-W585 HydrophobicContact CG1-CE3 3.54Å; V447-W585 HydrophobicContact CG1-CZ3 3.82Å; V447-W585 HydrophobicContact CG2-CE3 4.23Å; V447-W585 HydrophobicContact CG2-CH2 3.73Å; V447-W585 HydrophobicContact CG2-CZ2 4.11Å; V447-W585 HydrophobicContact CG2-CZ3 3.79Å; Q581-W585 PolarHBondContact O-N 3.37Å; Q581-W585 VanDerWaalsContact O-N 3.08Å; Y582-W585 WeakPolarHBondContact O-CB 3.45Å; Y582-W585 PolarHBondContact O-N 3.32Å; L583-W585 VanDerWaalsContact C-N 3.26Å; L583-W585 PolarHBondContact O-N 2.91Å; W585-T587 PolarHBondContact O-N 3.28Å; W585-Q588 PolarHBondContact O-N 3.06Å; W585-K589 HydrophobicContact CD2-CG 4.11Å; W585-K589 HydrophobicContact CE3-CG 3.91Å; W585-K589 HydrophobicContact CH2-CG 3.95Å; W585-K589 HydrophobicContact CZ2-CG 4.12Å; W585-K589 HydrophobicContact CZ3-CB 4.41Å; W585-K589 HydrophobicContact CZ3-CG 3.83Å; W585-K589 WeakPolarHBondContact O-CG 3.27Å; W585-K589 PolarHBondContact O-N 3.36Å; W585-K589 VanDerWaalsContact O-N 3.09Å
586	L	82.5	Confident	80.6	Confident	0 Å²	0	73.6 Å²	73.6	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-65.7	-39	-179.3	-72.7	168.5	0	0	0	112	I444 V447 L451 Y582 L583 K589 G590 T591 I596 W599	I444-L586 HydrophobicContact CG2-CD2 3.94Å; V447-L586 HydrophobicContact CB-CD2 4.36Å; V447-L586 HydrophobicContact CG1-CD2 4.14Å; V447-L586 HydrophobicContact CG1-CG 4.2Å; L451-L586 HydrophobicContact CB-CD1 4.4Å; L451-L586 HydrophobicContact CD2-CD1 3.51Å; Y582-L586 WeakPolarHBondContact O-CG 3.38Å; Y582-L586 PolarHBondContact O-N 3.11Å; L583-L586 PolarHBondContact O-N 3Å; L586-K589 PolarHBondContact O-N 3.34Å; L586-G590 PolarHBondContact O-N 2.92Å; L586-T591 WeakPolarHBondContact O-CB 3.45Å; L586-T591 PolarHBondContact O-N 3.48Å; L586-T591 PolarHBondContact O-OG1 3.45Å; L586-I596 HydrophobicContact CB-CD1 4.27Å; L586-I596 HydrophobicContact CB-CG1 4.41Å; L586-W599 HydrophobicContact CD1-CE3 3.88Å; L586-W599 HydrophobicContact CD1-CZ3 3.74Å; L586-W599 HydrophobicContact CD2-CH2 4.26Å; L586-W599 HydrophobicContact CD2-CZ3 3.74Å; L586-W599 HydrophobicContact CG-CZ3 4.35Å
587	T	77.1	Confident	80.3	Confident	86 Å²	86	69.2 Å²	69.2	53%	0.528	34%	0.335	S	S	.	.	H	α-helix	trans	-64.3	-44.9	174.6	-56	0	0	0	0	111.5	L583 I584 W585 K589 G590	L583-T587 PolarHBondContact O-N 3.31Å; L583-T587 PolarHBondContact O-OG1 3.4Å; L583-T587 VanDerWaalsContact O-OG1 3.05Å; I584-T587 PolarHBondContact O-N 2.98Å; W585-T587 PolarHBondContact O-N 3.28Å; T587-K589 VanDerWaalsContact C-N 3.26Å; T587-K589 PolarHBondContact O-N 3.44Å; T587-G590 PolarHBondContact O-N 3.49Å
588	Q	77.8	Confident	80.3	Confident	109 Å²	109	69 Å²	69	51%	0.509	34%	0.337	S	S	.	.	H	α-helix	trans	-63.8	-29	177.8	-75.4	177.6	-3.4	0	0	113.2	I584 W585 G590	I584-Q588 HydrophobicContact CG2-CG 4.3Å; I584-Q588 WeakPolarHBondContact O-CB 3.44Å; I584-Q588 VanDerWaalsContact O-CG 3.26Å; I584-Q588 WeakPolarHBondContact O-CG 3.19Å; I584-Q588 PolarHBondContact O-N 2.82Å; W585-Q588 PolarHBondContact O-N 3.06Å; Q588-G590 PolarHBondContact O-N 3.39Å
589	K	77.5	Confident	80.3	Confident	123 Å²	123	67.5 Å²	67.5	54%	0.535	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	2.5	174.1	-67.5	-67.7	-176.6	179.8	0	113.9	I444 W585 L586 T587	I444-K589 HydrophobicContact CD1-CB 4.2Å; I444-K589 HydrophobicContact CG1-CB 4.34Å; W585-K589 HydrophobicContact CD2-CG 4.11Å; W585-K589 HydrophobicContact CE3-CG 3.91Å; W585-K589 HydrophobicContact CH2-CG 3.95Å; W585-K589 HydrophobicContact CZ2-CG 4.12Å; W585-K589 HydrophobicContact CZ3-CB 4.41Å; W585-K589 HydrophobicContact CZ3-CG 3.83Å; W585-K589 WeakPolarHBondContact O-CG 3.27Å; W585-K589 PolarHBondContact O-N 3.36Å; W585-K589 VanDerWaalsContact O-N 3.09Å; L586-K589 PolarHBondContact O-N 3.34Å; T587-K589 VanDerWaalsContact C-N 3.26Å; T587-K589 PolarHBondContact O-N 3.44Å
590	G	75.7	Confident	80	Confident	66 Å²	66	66.7 Å²	66.7	68%	0.68	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	25.8	178.5	0	0	0	0	0	113.7	L586 T587 Q588 R592	L586-G590 PolarHBondContact O-N 2.92Å; T587-G590 PolarHBondContact O-N 3.49Å; Q588-G590 PolarHBondContact O-N 3.39Å; G590-R592 PolarHBondContact O-N 3.31Å
591	T	80.6	Confident	79.5	Confident	21 Å²	21	67.2 Å²	67.2	13%	0.129	34%	0.342	C	S	.	.			trans	-66.5	133.4	178.1	-50	0	0	0	0	110.1	I444 L586 Q593 K595 I596 W599	I444-T591 HydrophobicContact CG2-CG2 4.19Å; I444-T591 WeakPolarHBondContact CG2-OG1 3.42Å; L586-T591 WeakPolarHBondContact O-CB 3.45Å; L586-T591 PolarHBondContact O-N 3.48Å; L586-T591 PolarHBondContact O-OG1 3.45Å; T591-Q593 PolarHBondContact O-N 3.4Å; T591-K595 HydrophobicContact CG2-CB 4.2Å; T591-K595 HydrophobicContact CG2-CD 4.27Å; T591-I596 HydrophobicContact CG2-CG1 4.17Å; T591-W599 HydrophobicContact CG2-CH2 4.3Å; T591-W599 HydrophobicContact CG2-CZ3 3.94Å
592	R	77.9	Confident	78.8	Confident	211 Å²	211	69.9 Å²	69.9	80%	0.796	36%	0.356	S	S	*	.			trans	-61	135.9	179.7	-65.3	-178.5	-177.1	173.5	-0.2	110.7	G590 K594 K595 I596	G590-R592 PolarHBondContact O-N 3.31Å; R592-K594 PolarHBondContact O-N 3.13Å; R592-K594 VanDerWaalsContact O-N 3.13Å; R592-K595 WeakPolarHBondContact O-CB 3.45Å; R592-K595 PolarHBondContact O-N 3.31Å; R592-I596 PolarHBondContact O-N 3.38Å
593	Q	77.3	Confident	77.3	Confident	116 Å²	116	76.9 Å²	76.9	54%	0.542	39%	0.387	S	S	.	.	H	α-helix	trans	-54.1	-35.9	179	-168.5	62	36.7	0	0	113.3	T591 K595 I596 N597	T591-Q593 PolarHBondContact O-N 3.4Å; Q593-K595 VanDerWaalsContact C-N 3.27Å; Q593-K595 PolarHBondContact O-N 3.12Å; Q593-I596 PolarHBondContact O-N 3.13Å; Q593-N597 PolarHBondContact NE2-OD1 3.02Å; Q593-N597 PolarHBondContact O-N 3.1Å; Q593-N597 PolarHBondContact O-OD1 2.89Å
594	K	77.9	Confident	75.5	Confident	161 Å²	161	81.7 Å²	81.7	70%	0.7	41%	0.411	S	S	*	.	H	α-helix	trans	-56.6	-39.5	176.2	-67.5	-172.2	178.9	-178.1	0	112.4	R592 N597 E598	R592-K594 PolarHBondContact O-N 3.13Å; R592-K594 VanDerWaalsContact O-N 3.13Å; K594-N597 PolarHBondContact O-N 3.36Å; K594-E598 PolarHBondContact O-N 3.13Å
595	K	78.6	Confident	73.5	Confident	63 Å²	63	84.5 Å²	84.5	27%	0.274	43%	0.427	S	S	.	.	H	α-helix	trans	-75.3	-35.6	-179.6	-161.4	174.8	-167.8	-177.4	0	112.3	E445 T591 R592 Q593 E598 W599	E445-K595 IonicContact OE1-NZ 3.68Å; E445-K595 PolarHBondContact OE1-NZ 3.19Å; E445-K595 IonicContact OE2-NZ 3.34Å; E445-K595 PolarHBondContact OE2-NZ 3.06Å; T591-K595 HydrophobicContact CG2-CB 4.2Å; T591-K595 HydrophobicContact CG2-CD 4.27Å; R592-K595 WeakPolarHBondContact O-CB 3.45Å; R592-K595 PolarHBondContact O-N 3.31Å; Q593-K595 VanDerWaalsContact C-N 3.27Å; Q593-K595 PolarHBondContact O-N 3.12Å; K595-E598 PolarHBondContact O-N 3.1Å; K595-W599 HydrophobicContact CD-CH2 3.68Å; K595-W599 HydrophobicContact CD-CZ2 3.8Å; K595-W599 HydrophobicContact CD-CZ3 4.29Å; K595-W599 HydrophobicContact CG-CD2 4.32Å; K595-W599 HydrophobicContact CG-CE3 4.3Å; K595-W599 HydrophobicContact CG-CH2 3.83Å; K595-W599 HydrophobicContact CG-CZ2 3.83Å; K595-W599 HydrophobicContact CG-CZ3 4.05Å; K595-W599 PolarHBondContact O-N 2.81Å; K595-W599 VanDerWaalsContact O-N 3.12Å
596	I	81.6	Confident	71.7	Confident	3 Å²	3	88.6 Å²	88.6	2%	0.015	46%	0.463	C	S	.	.	H	α-helix	trans	-63.8	-43.9	172.2	-62.2	173.3	0	0	0	110.2	L583 L586 T591 R592 Q593 E598 W599 L600	L583-I596 HydrophobicContact CD2-CG2 3.5Å; L586-I596 HydrophobicContact CB-CD1 4.27Å; L586-I596 HydrophobicContact CB-CG1 4.41Å; T591-I596 HydrophobicContact CG2-CG1 4.17Å; R592-I596 PolarHBondContact O-N 3.38Å; Q593-I596 PolarHBondContact O-N 3.13Å; I596-E598 VanDerWaalsContact C-N 3.33Å; I596-E598 PolarHBondContact O-N 3.5Å; I596-W599 PolarHBondContact O-N 3.21Å; I596-L600 HydrophobicContact CG2-CD1 3.87Å; I596-L600 HydrophobicContact CG2-CG 4.37Å; I596-L600 WeakPolarHBondContact O-CB 3.35Å; I596-L600 VanDerWaalsContact O-CG 3.28Å; I596-L600 WeakPolarHBondContact O-CG 3.4Å; I596-L600 PolarHBondContact O-N 3.47Å
597	N	80.9	Confident	69.8	Low	46 Å²	46	95.8 Å²	95.8	25%	0.246	50%	0.501	C	S	.	.	H	α-helix	trans	-63.9	-37.2	177.5	-66.3	-3.2	0	0	0	112.3	Q593 K594 L600 G601 I602	Q593-N597 PolarHBondContact NE2-OD1 3.02Å; Q593-N597 PolarHBondContact O-N 3.1Å; Q593-N597 PolarHBondContact O-OD1 2.89Å; K594-N597 PolarHBondContact O-N 3.36Å; N597-L600 CarbonylContact O-C 3.45Å; N597-L600 PolarHBondContact O-N 2.9Å; N597-G601 PolarHBondContact O-N 3.29Å; N597-G601 VanDerWaalsContact O-N 3.13Å; N597-I602 PolarHBondContact O-N 3.1Å; N597-I602 VanDerWaalsContact O-N 3.1Å
598	E	83.7	Confident	67.9	Low	142 Å²	142	99.5 Å²	99.5	66%	0.664	52%	0.518	S	S	*	.	H	α-helix	trans	-62.2	-45.6	174.5	-175.2	179	-176.2	0	0	111.9	K594 K595 I596 G601	K594-E598 PolarHBondContact O-N 3.13Å; K595-E598 PolarHBondContact O-N 3.1Å; I596-E598 VanDerWaalsContact C-N 3.33Å; I596-E598 PolarHBondContact O-N 3.5Å; E598-G601 PolarHBondContact O-N 3.22Å; E598-G601 VanDerWaalsContact O-N 3.1Å
599	W	82.4	Confident	66.3	Low	18 Å²	18	98.3 Å²	98.3	7%	0.068	52%	0.521	C	S	.	.	H	α-helix	trans	-69.9	-31.7	175.9	-66.2	-40.6	0	0	0	113.6	I444 G448 K452 L586 T591 K595 I596 G601	I444-W599 HydrophobicContact CG2-CH2 4.3Å; I444-W599 WeakPolarHBondContact O-CH2 3.39Å; G448-W599 VanDerWaalsContact CA-CD2 3.49Å; K452-W599 HydrophobicContact CB-CB 4.38Å; L586-W599 HydrophobicContact CD1-CE3 3.88Å; L586-W599 HydrophobicContact CD1-CZ3 3.74Å; L586-W599 HydrophobicContact CD2-CH2 4.26Å; L586-W599 HydrophobicContact CD2-CZ3 3.74Å; L586-W599 HydrophobicContact CG-CZ3 4.35Å; T591-W599 HydrophobicContact CG2-CH2 4.3Å; T591-W599 HydrophobicContact CG2-CZ3 3.94Å; K595-W599 HydrophobicContact CD-CH2 3.68Å; K595-W599 HydrophobicContact CD-CZ2 3.8Å; K595-W599 HydrophobicContact CD-CZ3 4.29Å; K595-W599 HydrophobicContact CG-CD2 4.32Å; K595-W599 HydrophobicContact CG-CE3 4.3Å; K595-W599 HydrophobicContact CG-CH2 3.83Å; K595-W599 HydrophobicContact CG-CZ2 3.83Å; K595-W599 HydrophobicContact CG-CZ3 4.05Å; K595-W599 PolarHBondContact O-N 2.81Å; K595-W599 VanDerWaalsContact O-N 3.12Å; I596-W599 PolarHBondContact O-N 3.21Å; W599-G601 PolarHBondContact O-N 2.81Å
600	L	80.4	Confident	64.4	Low	21 Å²	21	103.3 Å²	103.3	11%	0.11	54%	0.539	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-5.3	170.9	-69.6	172.7	0	0	0	112.7	H455 L583 I596 N597 I602	H455-L600 HydrophobicContact CB-CD2 4.41Å; H455-L600 PolarHBondContact CD2-O 2.88Å; H455-L600 VanDerWaalsContact CD2-O 3.25Å; H455-L600 WeakPolarHBondContact ND1-CD2 3.46Å; H455-L600 PolarHBondContact NE2-O 3Å; L583-L600 HydrophobicContact CD2-CD1 4.04Å; L583-L600 HydrophobicContact CD2-CD2 4.21Å; L583-L600 HydrophobicContact CD2-CG 4.34Å; I596-L600 HydrophobicContact CG2-CD1 3.87Å; I596-L600 HydrophobicContact CG2-CG 4.37Å; I596-L600 WeakPolarHBondContact O-CB 3.35Å; I596-L600 VanDerWaalsContact O-CG 3.28Å; I596-L600 WeakPolarHBondContact O-CG 3.4Å; I596-L600 PolarHBondContact O-N 3.47Å; N597-L600 CarbonylContact O-C 3.45Å; N597-L600 PolarHBondContact O-N 2.9Å; L600-I602 HydrophobicContact CB-CD1 4.22Å; L600-I602 HydrophobicContact CB-CG1 4.05Å; L600-I602 HydrophobicContact CD1-CD1 4.26Å; L600-I602 PolarHBondContact O-N 3.18Å; L600-I602 VanDerWaalsContact O-N 3.13Å
601	G	71.4	Confident	62.9	Low	52 Å²	52	105 Å²	105	54%	0.536	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	20.6	-179.9	0	0	0	0	0	113.3	N597 E598 W599 K603	N597-G601 PolarHBondContact O-N 3.29Å; N597-G601 VanDerWaalsContact O-N 3.13Å; E598-G601 PolarHBondContact O-N 3.22Å; E598-G601 VanDerWaalsContact O-N 3.1Å; W599-G601 PolarHBondContact O-N 2.81Å; G601-K603 PolarHBondContact O-N 2.83Å
602	I	64.8	Low	61.2	Low	98 Å²	98	112.7 Å²	112.7	50%	0.503	58%	0.58	S	S	.	*			trans	-72.2	81.1	168.5	-55.3	172.8	0	0	0	105.6	N597 L600 I604	N597-I602 PolarHBondContact O-N 3.1Å; N597-I602 VanDerWaalsContact O-N 3.1Å; L600-I602 HydrophobicContact CB-CD1 4.22Å; L600-I602 HydrophobicContact CB-CG1 4.05Å; L600-I602 HydrophobicContact CD1-CD1 4.26Å; L600-I602 PolarHBondContact O-N 3.18Å; L600-I602 VanDerWaalsContact O-N 3.13Å; I602-I604 PolarHBondContact O-N 3.49Å
603	K	51.4	Low	59.4	Low	166 Å²	166	109.7 Å²	109.7	72%	0.722	58%	0.575	S	S	*	*			trans	-61.9	117	158.9	-70	-179.7	179.7	177.7	0	104.7	G601 D605	G601-K603 PolarHBondContact O-N 2.83Å; K603-D605 PolarHBondContact O-N 3.07Å
604	I	44.1	Very low	57.8	Low	138 Å²	138	113 Å²	113	71%	0.708	59%	0.59	S	S	*	*			trans	-64.2	91.2	159.1	-61.1	167.7	0	0	0	102.9	I602 A606	I602-I604 PolarHBondContact O-N 3.49Å; I604-A606 PolarHBondContact O-N 2.95Å; I604-A606 VanDerWaalsContact O-N 3.1Å
605	D	38	Very low	56.2	Low	126 Å²	126	108.5 Å²	108.5	67%	0.674	57%	0.574	S	S	*	*			trans	-60.8	116.4	176	-77.6	-32.9	0	0	0	106.1	K603 D607	K603-D605 PolarHBondContact O-N 3.07Å; D605-D607 PolarHBondContact O-N 2.55Å
606	A	44.8	Very low	54.9	Low	95 Å²	95	110.8 Å²	110.8	79%	0.785	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	27.9	-173.6	0	0	0	0	0	113.6	I604	I604-A606 PolarHBondContact O-N 2.95Å; I604-A606 VanDerWaalsContact O-N 3.1Å
607	D	41.5	Very low	53.5	Low	151 Å²	151	115.6 Å²	115.6	81%	0.807	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.1	0.9	-168.7	-144.3	29	0	0	0	114.5	D605	D605-D607 PolarHBondContact O-N 2.55Å
608	D	37.8	Very low	52.6	Low	164 Å²	164	113.8 Å²	113.8	88%	0.877	61%	0.614	S	S	*	*			trans	-111.7	43.4	172.8	-119.8	-6.7	0	0	0	111.8	Y610	D608-Y610 PolarHBondContact O-N 3.37Å
609	S	44.4	Very low	51.6	Low	83 Å²	83	109.6 Å²	109.6	58%	0.58	60%	0.599	S	S	*	*			trans	-77.7	80.3	178.3	-165.9	0	0	0	0	111.3
610	Y	37.8	Very low	51.2	Low	228 Å²	228	109 Å²	109	89%	0.894	60%	0.597	S	S	*	*			trans	-143.9	51.3	157	-120.3	-86.8	0	0	0	111.4	D608	D608-Y610 PolarHBondContact O-N 3.37Å
611	S	42.7	Very low	50.6	Low	103 Å²	103	110.3 Å²	110.3	72%	0.72	60%	0.602	S	S	*	*	S	Bend	trans	-156.8	95.5	157.5	-87.4	0	0	0	0	109.9	E613	S611-E613 PolarHBondContact O-N 3.31Å; S611-E613 VanDerWaalsContact O-N 3.14Å
612	L	45.4	Very low	50.8	Low	182 Å²	182	112 Å²	112	95%	0.953	60%	0.599	S	S	*	*			trans	25.5	76.4	155	-61.7	170.1	0	0	0	114.9	E614	L612-E614 PolarHBondContact O-N 3.14Å
613	E	40.7	Very low	51.2	Low	148 Å²	148	111 Å²	111	69%	0.692	60%	0.595	S	S	*	*			trans	-70.7	114.6	166	-66.7	-169.5	175.5	0	0	109.4	S611 D615	S611-E613 PolarHBondContact O-N 3.31Å; S611-E613 VanDerWaalsContact O-N 3.14Å; E613-D615 VanDerWaalsContact C-N 3.34Å; E613-D615 PolarHBondContact O-N 3.12Å; E613-D615 VanDerWaalsContact O-N 3.1Å
614	E	43.2	Very low	52.3	Low	185 Å²	185	107.7 Å²	107.7	86%	0.864	59%	0.591	S	S	*	*			trans	-65.6	100.4	151.4	-74.9	-176.9	161.1	0	0	107.5	L612 D616	L612-E614 PolarHBondContact O-N 3.14Å; E614-D616 VanDerWaalsContact C-N 3.28Å; E614-D616 PolarHBondContact O-N 3.48Å
615	D	44.3	Very low	53.9	Low	67 Å²	67	102 Å²	102	36%	0.358	56%	0.563	S	S	.	*			trans	-59.6	81.4	174	169.7	33.6	0	0	0	111.4	E613 S617 S618 H621	E613-D615 VanDerWaalsContact C-N 3.34Å; E613-D615 PolarHBondContact O-N 3.12Å; E613-D615 VanDerWaalsContact O-N 3.1Å; D615-S617 PolarHBondContact O-N 3.33Å; D615-S617 VanDerWaalsContact O-N 3.08Å; D615-S617 PolarHBondContact OD1-N 2.84Å; D615-S617 PolarHBondContact OD1-OG 3.1Å; D615-S618 WeakPolarHBondContact O-CB 3.14Å; D615-S618 PolarHBondContact O-N 3.44Å; D615-S618 PolarHBondContact OD1-N 2.79Å; D615-S618 WeakPolarHBondContact OD2-CB 3.4Å; D615-S618 PolarHBondContact OD2-OG 3.4Å; D615-H621 PolarHBondContact O-CE1 3.45Å; D615-H621 PolarHBondContact O-ND1 2.76Å
616	D	50.9	Low	56.2	Low	111 Å²	111	96.1 Å²	96.1	59%	0.594	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	4.3	175.4	-154.6	25.6	0	0	0	112.5	E614 H621	E614-D616 VanDerWaalsContact C-N 3.28Å; E614-D616 PolarHBondContact O-N 3.48Å; D616-H621 IonicContact OD1-CD2 3.1Å; D616-H621 PolarHBondContact OD1-CD2 3.08Å; D616-H621 IonicContact OD1-CG 3.97Å; D616-H621 IonicContact OD1-NE2 2.78Å
617	S	52.7	Low	58.2	Low	104 Å²	104	94.9 Å²	94.9	73%	0.727	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-2.5	168.5	37.5	0	0	0	0	114.1	D615	D615-S617 PolarHBondContact O-N 3.33Å; D615-S617 VanDerWaalsContact O-N 3.08Å; D615-S617 PolarHBondContact OD1-N 2.84Å; D615-S617 PolarHBondContact OD1-OG 3.1Å
618	S	62.5	Low	60.1	Low	8 Å²	8	89 Å²	89	6%	0.056	48%	0.476	C	S	.	.	S	Bend	trans	-58.9	132.2	174.9	-102.2	0	0	0	0	110.9	D615 H620 H621 K702	D615-S618 WeakPolarHBondContact O-CB 3.14Å; D615-S618 PolarHBondContact O-N 3.44Å; D615-S618 PolarHBondContact OD1-N 2.79Å; D615-S618 WeakPolarHBondContact OD2-CB 3.4Å; D615-S618 PolarHBondContact OD2-OG 3.4Å; S618-H620 PolarHBondContact O-N 3.42Å; S618-H621 PolarHBondContact O-N 3.13Å; S618-H621 PolarHBondContact O-ND1 2.74Å; S618-K702 PolarHBondContact OG-NZ 3.04Å
619	P	63	Low	62.2	Low	54 Å²	54	81.9 Å²	81.9	35%	0.351	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-57.3	-21.9	-179.3	21.7	-32.3	0	0	0	112.8	H621 N622 T625 P720 A723	P619-H621 VanDerWaalsContact C-N 3.28Å; P619-H621 PolarHBondContact O-N 3.47Å; P619-N622 PolarHBondContact O-N 3.26Å; P619-T625 WeakPolarHBondContact O-CG2 3.43Å; P619-T625 PolarHBondContact O-OG1 3.28Å; P619-P720 HydrophobicContact CB-CG 4.13Å; P619-P720 HydrophobicContact CG-CG 4.21Å; P619-A723 HydrophobicContact CB-CB 3.8Å; P619-A723 HydrophobicContact CG-CB 4.19Å
620	H	72.3	Confident	63.9	Low	6 Å²	6	83.6 Å²	83.6	3%	0.028	44%	0.444	C	S	.	.	G	3₁₀ helix	trans	-60	-25.2	174	-53.9	84.6	0	0	0	114.8	S618 N622 W626 F648 V698 L699 L717 A718 P720	S618-H620 PolarHBondContact O-N 3.42Å; H620-N622 VanDerWaalsContact C-N 3.28Å; H620-N622 PolarHBondContact O-N 3.34Å; H620-W626 PolarHBondContact O-NE1 2.62Å; H620-F648 AromaticContact CD2-CE1 3.77Å; H620-F648 AromaticContact CD2-CZ 3.84Å; H620-F648 AromaticContact NE2-CE1 3.84Å; H620-V698 HydrophobicContact CB-CG1 4.26Å; H620-L699 HydrophobicContact CB-CD2 3.99Å; H620-L717 PolarHBondContact CD2-O 2.63Å; H620-L717 PolarHBondContact NE2-O 3.43Å; H620-L717 VanDerWaalsContact NE2-O 3.1Å; H620-A718 PolarHBondContact CE1-O 2.96Å; H620-A718 PolarHBondContact NE2-O 2.97Å; H620-A718 VanDerWaalsContact NE2-O 3.12Å; H620-P720 WeakPolarHBondContact NE2-CD 3.35Å
621	H	69.1	Low	66.1	Low	47 Å²	47	74.2 Å²	74.2	22%	0.218	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-74.5	-17.4	177.8	-73	91.3	0	0	0	113.1	D615 D616 S618 P619 Q695 L699	D615-H621 PolarHBondContact O-CE1 3.45Å; D615-H621 PolarHBondContact O-ND1 2.76Å; D616-H621 IonicContact OD1-CD2 3.1Å; D616-H621 PolarHBondContact OD1-CD2 3.08Å; D616-H621 IonicContact OD1-CG 3.97Å; D616-H621 IonicContact OD1-NE2 2.78Å; S618-H621 PolarHBondContact O-N 3.13Å; S618-H621 PolarHBondContact O-ND1 2.74Å; P619-H621 VanDerWaalsContact C-N 3.28Å; P619-H621 PolarHBondContact O-N 3.47Å; H621-Q695 PolarHBondContact O-NE2 3.28Å; H621-L699 VanDerWaalsContact CE1-CD2 3.45Å; H621-L699 WeakPolarHBondContact CE1-CD2 3.27Å
622	N	74.7	Confident	68	Low	89 Å²	89	75 Å²	75	48%	0.476	40%	0.4	S	S	.	.			trans	-103.5	109.5	-179.8	-173.8	-10	0	0	0	109.9	P619 H620 C624 T625	P619-N622 PolarHBondContact O-N 3.26Å; H620-N622 VanDerWaalsContact C-N 3.28Å; H620-N622 PolarHBondContact O-N 3.34Å; N622-C624 PolarHBondContact O-N 2.95Å; N622-C624 WeakPolarHBondContact OD1-CB 3.41Å; N622-C624 PolarHBondContact OD1-N 3.03Å; N622-T625 HydrophobicContact CB-CG2 3.93Å; N622-T625 WeakPolarHBondContact O-CB 3.45Å; N622-T625 PolarHBondContact O-N 3.08Å; N622-T625 PolarHBondContact O-OG1 2.53Å
623	D	73.4	Confident	69.9	Low	77 Å²	77	72.6 Å²	72.6	41%	0.412	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-50.9	-33.4	-179.1	-64.7	0.4	0	0	0	112.5	T625 W626 Y627	D623-T625 PolarHBondContact O-N 3.44Å; D623-W626 HydrophobicContact CB-CZ2 4.21Å; D623-W626 PolarHBondContact O-N 3.32Å; D623-W626 WeakPolarHBondContact OD1-CZ2 3.49Å; D623-Y627 WeakPolarHBondContact O-CA 3.35Å; D623-Y627 WeakPolarHBondContact O-CB 3.34Å; D623-Y627 PolarHBondContact O-N 2.92Å
624	C	74.4	Confident	72.1	Confident	95 Å²	95	69.1 Å²	69.1	64%	0.642	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-66.1	-7.3	178.9	-60.4	0	0	0	0	114.4	N622 L722	N622-C624 PolarHBondContact O-N 2.95Å; N622-C624 WeakPolarHBondContact OD1-CB 3.41Å; N622-C624 PolarHBondContact OD1-N 3.03Å; C624-L722 VanDerWaalsContact O-CD1 3.28Å; C624-L722 WeakPolarHBondContact O-CD1 3.4Å
625	T	78.6	Confident	74	Confident	19 Å²	19	64.4 Å²	64.4	12%	0.117	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-94.8	-22.9	-179.8	71.4	0	0	0	0	113.5	P619 N622 D623 P720 V721 L722	P619-T625 WeakPolarHBondContact O-CG2 3.43Å; P619-T625 PolarHBondContact O-OG1 3.28Å; N622-T625 HydrophobicContact CB-CG2 3.93Å; N622-T625 WeakPolarHBondContact O-CB 3.45Å; N622-T625 PolarHBondContact O-N 3.08Å; N622-T625 PolarHBondContact O-OG1 2.53Å; D623-T625 PolarHBondContact O-N 3.44Å; T625-P720 CarbonylContact O-C 3.56Å; T625-P720 VanDerWaalsContact O-CB 3.26Å; T625-P720 WeakPolarHBondContact O-CB 3.38Å; T625-P720 WeakPolarHBondContact OG1-CB 3.46Å; T625-V721 PolarHBondContact O-N 3.47Å; T625-L722 WeakPolarHBondContact O-CA 3.47Å; T625-L722 VanDerWaalsContact O-CB 3.32Å; T625-L722 WeakPolarHBondContact O-CB 3.36Å; T625-L722 PolarHBondContact O-N 3.18Å
626	W	85.1	Confident	75.9	Confident	3 Å²	3	61.2 Å²	61.2	1%	0.011	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.2	-23.6	-178.7	47.3	-94.5	0	0	0	113.7	H620 D623 F648 L649 I650 L694 Q695 V698 P720	H620-W626 PolarHBondContact O-NE1 2.62Å; D623-W626 HydrophobicContact CB-CZ2 4.21Å; D623-W626 PolarHBondContact O-N 3.32Å; D623-W626 WeakPolarHBondContact OD1-CZ2 3.49Å; W626-F648 HydrophobicContact CB-CD2 4.29Å; W626-F648 HydrophobicContact CB-CE2 3.54Å; W626-F648 HydrophobicContact CB-CZ 3.79Å; W626-F648 HydrophobicContact CD2-CE2 4.44Å; W626-F648 AromaticContact CG-CE2 3.94Å; W626-F648 HydrophobicContact CG-CE2 3.94Å; W626-F648 HydrophobicContact CG-CZ 4.09Å; W626-L649 CarbonylContact O-C 3.55Å; W626-L649 VanDerWaalsContact O-CA 3.27Å; W626-L649 WeakPolarHBondContact O-CA 3.41Å; W626-I650 HydrophobicContact CE3-CB 3.93Å; W626-I650 HydrophobicContact CE3-CD1 3.77Å; W626-I650 HydrophobicContact CE3-CG1 3.94Å; W626-I650 HydrophobicContact CZ3-CB 4.1Å; W626-I650 HydrophobicContact CZ3-CD1 3.7Å; W626-I650 HydrophobicContact CZ3-CG1 4.23Å; W626-I650 PolarHBondContact O-N 3.48Å; W626-L694 HydrophobicContact CH2-CB 3.9Å; W626-L694 HydrophobicContact CZ3-CB 4.26Å; W626-Q695 HydrophobicContact CZ2-CB 4.29Å; W626-V698 HydrophobicContact CD2-CG1 4.48Å; W626-V698 HydrophobicContact CD2-CG2 4.09Å; W626-V698 HydrophobicContact CE3-CG2 4.04Å; W626-V698 HydrophobicContact CH2-CG2 4.17Å; W626-V698 HydrophobicContact CZ2-CB 4.48Å; W626-V698 HydrophobicContact CZ2-CG2 4.19Å; W626-V698 HydrophobicContact CZ3-CG2 4.09Å; W626-P720 HydrophobicContact CB-CB 3.91Å
627	Y	86.9	Confident	77.7	Confident	68 Å²	68	58.9 Å²	58.9	27%	0.267	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	120.2	176.6	-174.6	-110.7	0	0	0	110.8	D623 I650 E652 Y660	D623-Y627 WeakPolarHBondContact O-CA 3.35Å; D623-Y627 WeakPolarHBondContact O-CB 3.34Å; D623-Y627 PolarHBondContact O-N 2.92Å; Y627-I650 WeakPolarHBondContact CA-O 3.29Å; Y627-I650 HydrophobicContact CD2-CB 4.35Å; Y627-I650 HydrophobicContact CD2-CG2 4.2Å; Y627-I650 WeakPolarHBondContact CD2-O 3.2Å; Y627-E652 PolarHBondContact OH-OE1 3.35Å; Y627-Y660 AromaticContact CE2-CD1 3.92Å; Y627-Y660 HydrophobicContact CE2-CD1 3.92Å; Y627-Y660 AromaticContact CE2-CE1 3.71Å; Y627-Y660 HydrophobicContact CE2-CE1 3.71Å
628	V	82.6	Confident	79.3	Confident	27 Å²	27	60.2 Å²	60.2	16%	0.164	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	3.1	-175	-60.2	0	0	0	0	113.7	I631 M639 L649 I650 R651 V721 L722	V628-I631 HydrophobicContact CB-CD1 3.7Å; V628-I631 HydrophobicContact CB-CG1 4.49Å; V628-I631 HydrophobicContact CG2-CB 4.31Å; V628-I631 HydrophobicContact CG2-CD1 3.77Å; V628-I631 HydrophobicContact CG2-CG1 4.24Å; V628-I631 WeakPolarHBondContact O-CD1 3.47Å; V628-I631 WeakPolarHBondContact O-CG1 3.45Å; V628-M639 HydrophobicContact CG1-CE 4.35Å; V628-L649 HydrophobicContact CG1-CB 4.21Å; V628-L649 HydrophobicContact CG2-CB 4.38Å; V628-L649 HydrophobicContact CG2-CD1 3.58Å; V628-L649 HydrophobicContact CG2-CG 4.37Å; V628-I650 PolarHBondContact N-O 3.21Å; V628-R651 HydrophobicContact CG2-CB 3.99Å; V628-V721 HydrophobicContact CG1-CG1 3.94Å; V628-L722 HydrophobicContact CG1-CD1 4.2Å
629	G	81.6	Confident	80.2	Confident	15 Å²	15	62.9 Å²	62.9	16%	0.155	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	74.1	-147.4	177.3	0	0	0	0	0	114.5	I631 R651 E652	G629-I631 PolarHBondContact O-N 3.03Å; G629-R651 WeakPolarHBondContact O-CA 3.41Å; G629-R651 WeakPolarHBondContact O-CB 3.36Å; G629-E652 PolarHBondContact O-N 2.83Å
630	D	80.4	Confident	81.3	Confident	119 Å²	119	60.4 Å²	60.4	64%	0.636	31%	0.307	S	S	*	.	S	Bend	trans	-79.8	84.1	-178.6	-175	19.9	0	0	0	111.6
631	I	83.4	Confident	81.8	Confident	31 Å²	31	67.7 Å²	67.7	16%	0.159	34%	0.335	C	S	.	.			trans	-117.2	145.5	177	-67.2	-169.8	0	0	0	109.9	V628 G629 Q635 M639 R651	V628-I631 HydrophobicContact CB-CD1 3.7Å; V628-I631 HydrophobicContact CB-CG1 4.49Å; V628-I631 HydrophobicContact CG2-CB 4.31Å; V628-I631 HydrophobicContact CG2-CD1 3.77Å; V628-I631 HydrophobicContact CG2-CG1 4.24Å; V628-I631 WeakPolarHBondContact O-CD1 3.47Å; V628-I631 WeakPolarHBondContact O-CG1 3.45Å; G629-I631 PolarHBondContact O-N 3.03Å; I631-Q635 HydrophobicContact CG2-CB 3.39Å; I631-Q635 HydrophobicContact CG2-CG 4.46Å; I631-M639 HydrophobicContact CD1-SD 4.08Å; I631-R651 WeakPolarHBondContact O-CD 3.15Å
632	K	83.7	Confident	82.3	Confident	120 Å²	120	73.1 Å²	73.1	52%	0.522	37%	0.366	S	S	.	.			trans	-77.1	155.7	178.2	-48.1	-155.1	173.3	170.5	0	112.6	S634 Q635 A636 Q654	K632-S634 VanDerWaalsContact C-N 3.27Å; K632-S634 PolarHBondContact O-N 3.3Å; K632-Q635 HydrophobicContact CB-CG 4.5Å; K632-Q635 VanDerWaalsContact N-OE1 3.1Å; K632-Q635 PolarHBondContact O-N 2.93Å; K632-A636 PolarHBondContact O-N 3.45Å; K632-Q654 VanDerWaalsContact CA-NE2 3.25Å
633	R	84.8	Confident	82.7	Confident	132 Å²	132	72.3 Å²	72.3	50%	0.498	36%	0.358	S	S	.	.	H	α-helix	trans	-49.4	-47.4	175.6	-174.3	-176.9	169.4	157.2	2.1	112.4	Q635 A636 E637 H672	R633-Q635 VanDerWaalsContact C-N 3.32Å; R633-Q635 PolarHBondContact O-N 3.31Å; R633-A636 PolarHBondContact O-N 3.28Å; R633-E637 IonicContact CZ-OE1 3.39Å; R633-E637 IonicContact NE-OE1 2.81Å; R633-E637 PolarHBondContact NE-OE1 3.29Å; R633-E637 IonicContact NH2-OE1 3.09Å; R633-E637 WeakPolarHBondContact O-CG 3.17Å; R633-E637 PolarHBondContact O-N 3.05Å; R633-H672 WeakPolarHBondContact CG-NE2 3.35Å; R633-H672 VanDerWaalsContact CZ-CD2 3.45Å; R633-H672 PolarHBondContact NE-CD2 2.9Å; R633-H672 PolarHBondContact NE-NE2 3.32Å; R633-H672 PolarHBondContact NH2-CD2 2.93Å
634	S	86.1	Confident	83.1	Confident	75 Å²	75	72.2 Å²	72.2	52%	0.524	36%	0.362	S	S	.	.	H	α-helix	trans	-63.1	-34.1	-179.9	58	0	0	0	0	113.9	K632 E638	K632-S634 VanDerWaalsContact C-N 3.27Å; K632-S634 PolarHBondContact O-N 3.3Å; S634-E638 PolarHBondContact O-N 3.05Å; S634-E638 VanDerWaalsContact O-N 3.1Å
635	Q	83.9	Confident	83.5	Confident	85 Å²	85	71.3 Å²	71.3	40%	0.397	35%	0.351	S	S	.	.	H	α-helix	trans	-76.1	-35.7	177.9	-71.4	170.6	-25.3	0	0	111.1	I631 K632 R633 E638 M639	I631-Q635 HydrophobicContact CG2-CB 3.39Å; I631-Q635 HydrophobicContact CG2-CG 4.46Å; K632-Q635 HydrophobicContact CB-CG 4.5Å; K632-Q635 VanDerWaalsContact N-OE1 3.1Å; K632-Q635 PolarHBondContact O-N 2.93Å; R633-Q635 VanDerWaalsContact C-N 3.32Å; R633-Q635 PolarHBondContact O-N 3.31Å; Q635-E638 PolarHBondContact O-N 2.95Å; Q635-M639 WeakPolarHBondContact O-CG 3.2Å; Q635-M639 PolarHBondContact O-N 3.26Å
636	A	84.5	Confident	83.6	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-64.7	-41.8	172.6	0	0	0	0	0	111.7	K632 R633 E638 M639 L640 L649	K632-A636 PolarHBondContact O-N 3.45Å; R633-A636 PolarHBondContact O-N 3.28Å; A636-E638 VanDerWaalsContact C-N 3.31Å; A636-E638 PolarHBondContact O-N 3.19Å; A636-M639 PolarHBondContact O-N 2.95Å; A636-L640 WeakPolarHBondContact O-CB 3.42Å; A636-L640 VanDerWaalsContact O-CG 3.32Å; A636-L640 WeakPolarHBondContact O-CG 3.41Å; A636-L640 PolarHBondContact O-N 3.01Å; A636-L649 HydrophobicContact CB-CD1 3.91Å; A636-L649 HydrophobicContact CB-CD2 4.19Å
637	E	88.6	Confident	83.7	Confident	62 Å²	62	70.8 Å²	70.8	29%	0.29	35%	0.349	S	S	.	.	H	α-helix	trans	-62	-36.7	173.2	-69.6	168.2	-179.5	0	0	111.7	R633 L640 R641 T670 H672	R633-E637 IonicContact CZ-OE1 3.39Å; R633-E637 IonicContact NE-OE1 2.81Å; R633-E637 PolarHBondContact NE-OE1 3.29Å; R633-E637 IonicContact NH2-OE1 3.09Å; R633-E637 WeakPolarHBondContact O-CG 3.17Å; R633-E637 PolarHBondContact O-N 3.05Å; E637-L640 PolarHBondContact O-N 3.21Å; E637-R641 PolarHBondContact O-N 3.41Å; E637-T670 HydrophobicContact CG-CG2 3.98Å; E637-H672 IonicContact OE1-CD2 3.92Å; E637-H672 IonicContact OE1-NE2 2.53Å; E637-H672 PolarHBondContact OE1-NE2 2.98Å; E637-H672 VanDerWaalsContact OE1-NE2 3.1Å
638	E	86.1	Confident	83.9	Confident	133 Å²	133	67.5 Å²	67.5	62%	0.621	34%	0.336	S	S	*	.	H	α-helix	trans	-66.5	-42.3	174.3	-174.2	176	-163.6	0	0	112.5	S634 Q635 A636 L640 R641	S634-E638 PolarHBondContact O-N 3.05Å; S634-E638 VanDerWaalsContact O-N 3.1Å; Q635-E638 PolarHBondContact O-N 2.95Å; A636-E638 VanDerWaalsContact C-N 3.31Å; A636-E638 PolarHBondContact O-N 3.19Å; E638-L640 VanDerWaalsContact C-N 3.27Å; E638-L640 PolarHBondContact O-N 3.41Å; E638-R641 WeakPolarHBondContact O-CB 3.47Å; E638-R641 PolarHBondContact O-N 2.97Å
639	M	82	Confident	84.2	Confident	63 Å²	63	66.2 Å²	66.2	31%	0.31	33%	0.328	S	S	.	.	H	α-helix	trans	-70.5	-21	177.9	-69.8	179.8	73.1	0	0	114	V628 I631 Q635 A636 K643 L649 V721 L722	V628-M639 HydrophobicContact CG1-CE 4.35Å; I631-M639 HydrophobicContact CD1-SD 4.08Å; Q635-M639 WeakPolarHBondContact O-CG 3.2Å; Q635-M639 PolarHBondContact O-N 3.26Å; A636-M639 PolarHBondContact O-N 2.95Å; M639-K643 WeakPolarHBondContact O-CD 3.48Å; M639-K643 WeakPolarHBondContact O-CE 3.45Å; M639-K643 PolarHBondContact O-NZ 3.06Å; M639-L649 HydrophobicContact CB-CD2 4.32Å; M639-V721 HydrophobicContact CE-CG1 4.5Å; M639-L722 HydrophobicContact CE-CD2 4.23Å
640	L	84.8	Confident	84.7	Confident	2 Å²	2	65.5 Å²	65.5	1%	0.01	32%	0.321	C	S	.	.	H	α-helix	trans	-102	-4	179.8	-68.9	174.5	0	0	0	113.1	A636 E637 E638 D642 K643 T647 L649 V665 T670 V721	A636-L640 WeakPolarHBondContact O-CB 3.42Å; A636-L640 VanDerWaalsContact O-CG 3.32Å; A636-L640 WeakPolarHBondContact O-CG 3.41Å; A636-L640 PolarHBondContact O-N 3.01Å; E637-L640 PolarHBondContact O-N 3.21Å; E638-L640 VanDerWaalsContact C-N 3.27Å; E638-L640 PolarHBondContact O-N 3.41Å; L640-D642 PolarHBondContact O-N 3.36Å; L640-K643 PolarHBondContact O-N 3.29Å; L640-T647 HydrophobicContact CD2-CG2 3.73Å; L640-L649 HydrophobicContact CD1-CD2 3.94Å; L640-L649 HydrophobicContact CD1-CG 4.16Å; L640-L649 HydrophobicContact CD2-CD2 4.15Å; L640-L649 HydrophobicContact CG-CD2 3.83Å; L640-V665 HydrophobicContact CB-CG2 3.75Å; L640-V665 HydrophobicContact CD1-CG2 4.46Å; L640-V665 HydrophobicContact CD2-CG2 4.13Å; L640-V665 HydrophobicContact CG-CG2 4.32Å; L640-T670 HydrophobicContact CB-CG2 4.38Å; L640-T670 HydrophobicContact CD1-CG2 3.69Å; L640-V721 HydrophobicContact CD2-CB 4.33Å; L640-V721 HydrophobicContact CD2-CG2 3.75Å
641	R	82.9	Confident	85.1	Confident	159 Å²	159	60.6 Å²	60.6	60%	0.6	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	135.6	176.1	-168.2	-175.4	-59.7	-83.2	-5.5	110.5	E637 E638 K643	E637-R641 PolarHBondContact O-N 3.41Å; E638-R641 WeakPolarHBondContact O-CB 3.47Å; E638-R641 PolarHBondContact O-N 2.97Å; R641-K643 PolarHBondContact O-N 3.43Å; R641-K643 VanDerWaalsContact O-N 3.17Å
642	D	79.1	Confident	85.2	Confident	162 Å²	162	63 Å²	63	87%	0.866	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	20.7	178.3	-51.6	-38.7	0	0	0	115	L640	L640-D642 PolarHBondContact O-N 3.36Å
643	K	83	Confident	84.9	Confident	72 Å²	72	58 Å²	58	31%	0.313	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-93.4	160.3	173.6	-63.2	-160.8	175.5	173.4	0	111.8	M639 L640 R641 T647 V721	M639-K643 WeakPolarHBondContact O-CD 3.48Å; M639-K643 WeakPolarHBondContact O-CE 3.45Å; M639-K643 PolarHBondContact O-NZ 3.06Å; L640-K643 PolarHBondContact O-N 3.29Å; R641-K643 PolarHBondContact O-N 3.43Å; R641-K643 VanDerWaalsContact O-N 3.17Å; K643-T647 HydrophobicContact CB-CG2 4.23Å; K643-T647 HydrophobicContact CD-CG2 3.77Å; K643-V721 HydrophobicContact CD-CG2 4.31Å; K643-V721 PolarHBondContact NZ-O 3.26Å; K643-V721 VanDerWaalsContact NZ-O 3.16Å
644	C	82.1	Confident	84.3	Confident	74 Å²	74	56.7 Å²	56.7	50%	0.5	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-69.7	153.1	179.4	54.3	0	0	0	0	112.4	T647	C644-T647 VanDerWaalsContact O-CB 3.3Å; C644-T647 WeakPolarHBondContact O-CB 3.4Å; C644-T647 PolarHBondContact O-N 3.01Å; C644-T647 VanDerWaalsContact O-N 3.11Å; C644-T647 PolarHBondContact O-OG1 3.1Å; C644-T647 PolarHBondContact SG-OG1 3.12Å; C644-T647 VanDerWaalsContact SG-OG1 3.32Å
645	D	83.4	Confident	83.4	Confident	77 Å²	77	58.4 Å²	58.4	41%	0.412	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	139.4	175.4	-63.4	-38.1	0	0	0	111.4	T647 D667 G668 V715	D645-T647 VanDerWaalsContact C-N 3.32Å; D645-D667 PolarHBondContact OD1-N 3.02Å; D645-G668 PolarHBondContact OD1-N 3.07Å; D645-V715 HydrophobicContact CB-CG1 4.5Å
646	G	80.1	Confident	82.6	Confident	3 Å²	3	58.8 Å²	58.8	3%	0.031	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.2	1.6	-173.3	0	0	0	0	0	114.6	V665 N716 A718 Y719	G646-V665 PolarHBondContact N-O 3.44Å; G646-N716 VanDerWaalsContact CA-O 3.28Å; G646-N716 WeakPolarHBondContact CA-O 3.34Å; G646-A718 PolarHBondContact O-N 3.5Å; G646-Y719 PolarHBondContact O-N 3.45Å; G646-Y719 VanDerWaalsContact O-N 3.12Å
647	T	88.2	Confident	81.6	Confident	7 Å²	7	69.3 Å²	69.3	4%	0.043	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	130	167.2	-53.8	0	0	0	0	110.5	L640 K643 C644 D645 V664 V665 Y719 V721	L640-T647 HydrophobicContact CD2-CG2 3.73Å; K643-T647 HydrophobicContact CB-CG2 4.23Å; K643-T647 HydrophobicContact CD-CG2 3.77Å; C644-T647 VanDerWaalsContact O-CB 3.3Å; C644-T647 WeakPolarHBondContact O-CB 3.4Å; C644-T647 PolarHBondContact O-N 3.01Å; C644-T647 VanDerWaalsContact O-N 3.11Å; C644-T647 PolarHBondContact O-OG1 3.1Å; C644-T647 PolarHBondContact SG-OG1 3.12Å; C644-T647 VanDerWaalsContact SG-OG1 3.32Å; D645-T647 VanDerWaalsContact C-N 3.32Å; T647-V664 WeakPolarHBondContact O-CA 3.43Å; T647-V665 PolarHBondContact O-N 2.92Å; T647-Y719 CarbonylContact C-O 3.59Å; T647-Y719 VanDerWaalsContact CA-O 3.26Å; T647-Y719 WeakPolarHBondContact CA-O 3.34Å; T647-Y719 WeakPolarHBondContact CG2-O 3.32Å; T647-V721 HydrophobicContact CG2-CB 4.42Å; T647-V721 HydrophobicContact CG2-CG2 4.42Å
648	F	90.7	Very high	80.7	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	159.3	-173.9	78.6	-79.2	0	0	0	114.3	H620 W626 S663 V664 V698 L717 Y719 P720 V721	H620-F648 AromaticContact CD2-CE1 3.77Å; H620-F648 AromaticContact CD2-CZ 3.84Å; H620-F648 AromaticContact NE2-CE1 3.84Å; W626-F648 HydrophobicContact CB-CD2 4.29Å; W626-F648 HydrophobicContact CB-CE2 3.54Å; W626-F648 HydrophobicContact CB-CZ 3.79Å; W626-F648 HydrophobicContact CD2-CE2 4.44Å; W626-F648 AromaticContact CG-CE2 3.94Å; W626-F648 HydrophobicContact CG-CE2 3.94Å; W626-F648 HydrophobicContact CG-CZ 4.09Å; F648-S663 CarbonylContact C-O 3.55Å; F648-S663 VanDerWaalsContact CA-O 3.24Å; F648-S663 WeakPolarHBondContact CA-O 3.06Å; F648-V664 HydrophobicContact CB-CB 4.07Å; F648-V664 HydrophobicContact CB-CG2 4.04Å; F648-V698 HydrophobicContact CE2-CG1 3.74Å; F648-V698 HydrophobicContact CE2-CG2 4.01Å; F648-V698 HydrophobicContact CZ-CG1 3.45Å; F648-V698 VanDerWaalsContact CZ-CG1 3.45Å; F648-L717 HydrophobicContact CB-CD2 3.61Å; F648-L717 HydrophobicContact CD1-CB 3.62Å; F648-L717 HydrophobicContact CD1-CD2 4.1Å; F648-L717 HydrophobicContact CD1-CG 4.38Å; F648-L717 HydrophobicContact CD2-CB 4.23Å; F648-L717 HydrophobicContact CD2-CD1 4.1Å; F648-L717 HydrophobicContact CD2-CD2 3.88Å; F648-L717 HydrophobicContact CD2-CG 4.3Å; F648-L717 HydrophobicContact CE1-CB 3.65Å; F648-L717 WeakPolarHBondContact CE1-O 3.4Å; F648-L717 HydrophobicContact CE2-CB 4.24Å; F648-L717 HydrophobicContact CE2-CD1 4.14Å; F648-L717 HydrophobicContact CG-CB 3.95Å; F648-L717 HydrophobicContact CG-CD2 3.59Å; F648-L717 HydrophobicContact CG-CG 4.21Å; F648-L717 HydrophobicContact CZ-CB 3.98Å; F648-Y719 WeakPolarHBondContact CD1-O 3.3Å; F648-Y719 PolarHBondContact N-O 3.17Å; F648-P720 HydrophobicContact CE1-CB 4.46Å; F648-P720 HydrophobicContact CE1-CG 4.04Å; F648-P720 HydrophobicContact CZ-CG 4.19Å; F648-V721 WeakPolarHBondContact O-CB 3.01Å; F648-V721 PolarHBondContact O-N 3.05Å
649	L	89.6	Confident	80.4	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	149.6	169.4	66.2	85.1	0	0	0	111	W626 V628 A636 M639 L640 R651 S663 V721	W626-L649 CarbonylContact O-C 3.55Å; W626-L649 VanDerWaalsContact O-CA 3.27Å; W626-L649 WeakPolarHBondContact O-CA 3.41Å; V628-L649 HydrophobicContact CG1-CB 4.21Å; V628-L649 HydrophobicContact CG2-CB 4.38Å; V628-L649 HydrophobicContact CG2-CD1 3.58Å; V628-L649 HydrophobicContact CG2-CG 4.37Å; A636-L649 HydrophobicContact CB-CD1 3.91Å; A636-L649 HydrophobicContact CB-CD2 4.19Å; M639-L649 HydrophobicContact CB-CD2 4.32Å; L640-L649 HydrophobicContact CD1-CD2 3.94Å; L640-L649 HydrophobicContact CD1-CG 4.16Å; L640-L649 HydrophobicContact CD2-CD2 4.15Å; L640-L649 HydrophobicContact CG-CD2 3.83Å; L649-R651 HydrophobicContact CD1-CB 4.22Å; L649-R651 HydrophobicContact CD1-CG 4.33Å; L649-S663 PolarHBondContact N-O 2.73Å; L649-S663 PolarHBondContact O-N 3.45Å; L649-V721 HydrophobicContact CB-CB 3.99Å; L649-V721 HydrophobicContact CB-CG1 3.59Å; L649-V721 HydrophobicContact CD2-CB 4.29Å; L649-V721 HydrophobicContact CD2-CG1 4.07Å; L649-V721 HydrophobicContact CD2-CG2 4.12Å; L649-V721 HydrophobicContact CG-CG1 4.49Å
650	I	90.7	Very high	80.6	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	131	173.9	-59.4	-176.1	0	0	0	109.1	W626 Y627 V628 Y660 C662 I675 V698	W626-I650 HydrophobicContact CE3-CB 3.93Å; W626-I650 HydrophobicContact CE3-CD1 3.77Å; W626-I650 HydrophobicContact CE3-CG1 3.94Å; W626-I650 HydrophobicContact CZ3-CB 4.1Å; W626-I650 HydrophobicContact CZ3-CD1 3.7Å; W626-I650 HydrophobicContact CZ3-CG1 4.23Å; W626-I650 PolarHBondContact O-N 3.48Å; Y627-I650 WeakPolarHBondContact CA-O 3.29Å; Y627-I650 HydrophobicContact CD2-CB 4.35Å; Y627-I650 HydrophobicContact CD2-CG2 4.2Å; Y627-I650 WeakPolarHBondContact CD2-O 3.2Å; V628-I650 PolarHBondContact N-O 3.21Å; I650-Y660 HydrophobicContact CG2-CD1 4.33Å; I650-Y660 HydrophobicContact CG2-CG 4.46Å; I650-C662 HydrophobicContact CG1-CB 4.33Å; I650-I675 HydrophobicContact CD1-CD1 3.83Å; I650-I675 HydrophobicContact CG1-CD1 4.38Å; I650-I675 HydrophobicContact CG2-CD1 4.34Å; I650-V698 HydrophobicContact CD1-CG2 3.47Å; I650-V698 VanDerWaalsContact CD1-CG2 3.47Å
651	R	88.6	Confident	80.8	Confident	15 Å²	15	63 Å²	63	6%	0.057	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	165.9	180	63.1	-178	-177.4	76.3	2.4	110.8	V628 G629 I631 L649 Y660 A661 S663	V628-R651 HydrophobicContact CG2-CB 3.99Å; G629-R651 WeakPolarHBondContact O-CA 3.41Å; G629-R651 WeakPolarHBondContact O-CB 3.36Å; I631-R651 WeakPolarHBondContact O-CD 3.15Å; L649-R651 HydrophobicContact CD1-CB 4.22Å; L649-R651 HydrophobicContact CD1-CG 4.33Å; R651-Y660 CarbonylContact O-C 3.53Å; R651-Y660 WeakPolarHBondContact O-CA 3.38Å; R651-A661 HydrophobicContact CG-CB 4.15Å; R651-A661 WeakPolarHBondContact CG-O 3.43Å; R651-A661 PolarHBondContact N-O 3.17Å; R651-A661 PolarHBondContact O-N 3.03Å; R651-S663 PolarHBondContact NE-OG 3.3Å
652	E	86.2	Confident	81	Confident	83 Å²	83	55.5 Å²	55.5	39%	0.388	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	141.4	171.5	-64.2	-169.5	-178.2	0	0	111.4	Y627 G629 Y660	Y627-E652 PolarHBondContact OH-OE1 3.35Å; G629-E652 PolarHBondContact O-N 2.83Å; E652-Y660 HydrophobicContact CG-CD1 4.43Å; E652-Y660 HydrophobicContact CG-CE1 4.22Å
653	S	78.5	Confident	81.5	Confident	15 Å²	15	47.8 Å²	47.8	11%	0.105	26%	0.26	C	S	.	.			trans	-79.9	126.6	-179.7	-172.6	0	0	0	0	111	S655 S659	S653-S655 VanDerWaalsContact C-N 3.33Å; S653-S659 WeakPolarHBondContact CB-O 3.45Å; S653-S659 PolarHBondContact N-O 2.87Å
654	Q	70.9	Confident	81.8	Confident	103 Å²	103	44.3 Å²	44.3	48%	0.481	25%	0.245	S	C	.	.	S	Bend	trans	-77.8	-23.5	175.9	-64.7	-174.5	-24.2	0	0	112.8	K632	K632-Q654 VanDerWaalsContact CA-NE2 3.25Å
655	S	66.8	Low	82.1	Confident	111 Å²	111	40.9 Å²	40.9	78%	0.776	22%	0.222	S	C	*	.	S	Bend	trans	-85.6	-22.6	-175.1	-53.4	0	0	0	0	112.3	S653	S653-S655 VanDerWaalsContact C-N 3.33Å
656	Q	67.9	Low	82.2	Confident	93 Å²	93	37.3 Å²	37.3	44%	0.435	20%	0.203	S	C	.	.	S	Bend	trans	-142.4	115.5	-177.4	-67.7	-177.6	-6	0	0	110.5	G658 S659	Q656-G658 PolarHBondContact O-N 3.06Å; Q656-S659 PolarHBondContact O-N 2.85Å; Q656-S659 PolarHBondContact OE1-OG 2.62Å
657	K	63.8	Low	82.2	Confident	221 Å²	221	43.4 Å²	43.4	96%	0.961	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	122.4	177.9	-74.8	-173.6	175.7	-175.8	0	110.3
658	G	68.6	Low	81.7	Confident	60 Å²	60	45.7 Å²	45.7	62%	0.619	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.5	2.9	180	0	0	0	0	0	115.3	Q656	Q656-G658 PolarHBondContact O-N 3.06Å
659	S	80.6	Confident	81.2	Confident	19 Å²	19	51.2 Å²	51.2	13%	0.133	29%	0.29	C	S	.	.			trans	-105.8	158.6	172.5	-60.2	0	0	0	0	111.2	S653 Q656	S653-S659 WeakPolarHBondContact CB-O 3.45Å; S653-S659 PolarHBondContact N-O 2.87Å; Q656-S659 PolarHBondContact O-N 2.85Å; Q656-S659 PolarHBondContact OE1-OG 2.62Å
660	Y	86.9	Confident	81.1	Confident	47 Å²	47	52.7 Å²	52.7	18%	0.184	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	162.6	177.4	-64.2	-82.8	0	0	0	111	Y627 I650 R651 E652 I675 Y682 L694	Y627-Y660 AromaticContact CE2-CD1 3.92Å; Y627-Y660 HydrophobicContact CE2-CD1 3.92Å; Y627-Y660 AromaticContact CE2-CE1 3.71Å; Y627-Y660 HydrophobicContact CE2-CE1 3.71Å; I650-Y660 HydrophobicContact CG2-CD1 4.33Å; I650-Y660 HydrophobicContact CG2-CG 4.46Å; R651-Y660 CarbonylContact O-C 3.53Å; R651-Y660 WeakPolarHBondContact O-CA 3.38Å; E652-Y660 HydrophobicContact CG-CD1 4.43Å; E652-Y660 HydrophobicContact CG-CE1 4.22Å; Y660-I675 PolarHBondContact N-O 2.97Å; Y660-I675 PolarHBondContact O-N 2.91Å; Y660-Y682 HydrophobicContact CD2-CD1 4.39Å; Y660-Y682 HydrophobicContact CD2-CE1 4.05Å; Y660-Y682 AromaticContact CE2-CE1 3.83Å; Y660-Y682 HydrophobicContact CE2-CE1 3.83Å; Y660-L694 HydrophobicContact CD1-CD1 4Å; Y660-L694 HydrophobicContact CD2-CD1 3.76Å; Y660-L694 HydrophobicContact CD2-CD2 4.05Å; Y660-L694 HydrophobicContact CD2-CG 4.34Å; Y660-L694 HydrophobicContact CE1-CD1 3.99Å; Y660-L694 HydrophobicContact CE2-CD1 3.75Å; Y660-L694 HydrophobicContact CE2-CG 4.47Å; Y660-L694 HydrophobicContact CG-CD1 3.88Å; Y660-L694 HydrophobicContact CG-CD2 4.34Å
661	A	87.3	Confident	80.9	Confident	3 Å²	3	55.6 Å²	55.6	3%	0.025	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	123.9	173.2	0	0	0	0	0	109.9	R651 C673	R651-A661 HydrophobicContact CG-CB 4.15Å; R651-A661 WeakPolarHBondContact CG-O 3.43Å; R651-A661 PolarHBondContact N-O 3.17Å; R651-A661 PolarHBondContact O-N 3.03Å; A661-C673 CarbonylContact C-O 3.59Å; A661-C673 VanDerWaalsContact CA-O 3.27Å; A661-C673 WeakPolarHBondContact CA-O 3.41Å
662	C	88.3	Confident	80.8	Confident	0 Å²	0	57 Å²	57	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	125.8	171.1	-172.2	0	0	0	0	109.3	I650 H672 C673 I675 F684	I650-C662 HydrophobicContact CG1-CB 4.33Å; C662-H672 CarbonylContact O-C 3.6Å; C662-H672 WeakPolarHBondContact O-CA 3.31Å; C662-C673 PolarHBondContact N-O 3.49Å; C662-C673 PolarHBondContact O-N 3.23Å; C662-I675 HydrophobicContact CB-CD1 3.95Å; C662-I675 HydrophobicContact CB-CG1 4.36Å; C662-F684 HydrophobicContact CB-CE1 3.75Å; C662-F684 HydrophobicContact CB-CZ 4.09Å
663	S	89.2	Confident	80.7	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	126.7	173.3	-46.2	0	0	0	0	108.2	F648 L649 R651 K671 H672	F648-S663 CarbonylContact C-O 3.55Å; F648-S663 VanDerWaalsContact CA-O 3.24Å; F648-S663 WeakPolarHBondContact CA-O 3.06Å; L649-S663 PolarHBondContact N-O 2.73Å; L649-S663 PolarHBondContact O-N 3.45Å; R651-S663 PolarHBondContact NE-OG 3.3Å; S663-K671 CarbonylContact C-O 3.38Å; S663-K671 WeakPolarHBondContact CA-O 3.34Å; S663-H672 VanDerWaalsContact CB-ND1 3.34Å; S663-H672 WeakPolarHBondContact CB-ND1 3.28Å; S663-H672 PolarHBondContact OG-CE1 2.89Å; S663-H672 PolarHBondContact OG-ND1 3.3Å
664	V	89.5	Confident	81	Confident	0 Å²	0	56 Å²	56	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	143.5	-173.1	61.9	0	0	0	0	110.9	T647 F648 V666 K671 L706 L713 V715 L717	T647-V664 WeakPolarHBondContact O-CA 3.43Å; F648-V664 HydrophobicContact CB-CB 4.07Å; F648-V664 HydrophobicContact CB-CG2 4.04Å; V664-V666 HydrophobicContact CG1-CG2 4.19Å; V664-K671 PolarHBondContact N-O 3.06Å; V664-K671 PolarHBondContact O-N 2.9Å; V664-L706 HydrophobicContact CG1-CD1 4.32Å; V664-L713 HydrophobicContact CG1-CD2 4.4Å; V664-V715 HydrophobicContact CG2-CG2 3.74Å; V664-L717 HydrophobicContact CB-CD2 4.48Å; V664-L717 HydrophobicContact CG2-CD2 4.26Å
665	V	88.5	Confident	81.7	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.012	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	127.1	176.1	-175.2	0	0	0	0	110.3	L640 G646 T647	L640-V665 HydrophobicContact CB-CG2 3.75Å; L640-V665 HydrophobicContact CD1-CG2 4.46Å; L640-V665 HydrophobicContact CD2-CG2 4.13Å; L640-V665 HydrophobicContact CG-CG2 4.32Å; G646-V665 PolarHBondContact N-O 3.44Å; T647-V665 PolarHBondContact O-N 2.92Å
666	V	84.8	Confident	82.4	Confident	2 Å²	2	47.7 Å²	47.7	1%	0.012	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	119.9	179.2	-173.8	0	0	0	0	109.2	V664 G668 D669 K671 L713 V715	V664-V666 HydrophobicContact CG1-CG2 4.19Å; V666-G668 PolarHBondContact O-N 3.24Å; V666-D669 PolarHBondContact N-O 3.04Å; V666-D669 PolarHBondContact O-N 3.29Å; V666-K671 HydrophobicContact CB-CD 4.02Å; V666-K671 HydrophobicContact CG2-CD 4.08Å; V666-L713 HydrophobicContact CG2-CD2 3.98Å; V666-V715 HydrophobicContact CB-CG1 4.3Å; V666-V715 HydrophobicContact CG1-CG1 3.99Å; V666-V715 HydrophobicContact CG2-CB 4.46Å; V666-V715 HydrophobicContact CG2-CG1 4.08Å; V666-V715 HydrophobicContact CG2-CG2 3.52Å
667	D	81.1	Confident	82.9	Confident	130 Å²	130	49 Å²	49	70%	0.695	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	37	-178.8	-53.7	-48.9	0	0	0	112.6	D645 D669	D645-D667 PolarHBondContact OD1-N 3.02Å; D667-D669 VanDerWaalsContact C-N 3.28Å; D667-D669 PolarHBondContact O-N 2.9Å
668	G	76.4	Confident	83.4	Confident	56 Å²	56	40.4 Å²	40.4	58%	0.577	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.3	-6.3	-177.6	0	0	0	0	0	116.1	D645 V666	D645-G668 PolarHBondContact OD1-N 3.07Å; V666-G668 PolarHBondContact O-N 3.24Å
669	D	82	Confident	83.5	Confident	116 Å²	116	44.1 Å²	44.1	62%	0.62	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.5	142.3	176.9	-76.2	-34.4	0	0	0	112	V666 D667	V666-D669 PolarHBondContact N-O 3.04Å; V666-D669 PolarHBondContact O-N 3.29Å; D667-D669 VanDerWaalsContact C-N 3.28Å; D667-D669 PolarHBondContact O-N 2.9Å
670	T	86.8	Confident	83	Confident	30 Å²	30	48 Å²	48	18%	0.184	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	122.1	176.1	-60.1	0	0	0	0	111.2	E637 L640	E637-T670 HydrophobicContact CG-CG2 3.98Å; L640-T670 HydrophobicContact CB-CG2 4.38Å; L640-T670 HydrophobicContact CD1-CG2 3.69Å
671	K	85.9	Confident	82.6	Confident	61 Å²	61	46.3 Å²	46.3	27%	0.265	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	151.8	175.1	-67.7	177	-179.6	153.8	0	110.8	S663 V664 V666 H712 L713	S663-K671 CarbonylContact C-O 3.38Å; S663-K671 WeakPolarHBondContact CA-O 3.34Å; V664-K671 PolarHBondContact N-O 3.06Å; V664-K671 PolarHBondContact O-N 2.9Å; V666-K671 HydrophobicContact CB-CD 4.02Å; V666-K671 HydrophobicContact CG2-CD 4.08Å; K671-H712 PolarHBondContact NZ-O 3.23Å; K671-L713 HydrophobicContact CB-CD2 3.67Å; K671-L713 HydrophobicContact CD-CD2 3.52Å; K671-L713 HydrophobicContact CG-CD2 4.2Å
672	H	86.8	Confident	82.4	Confident	44 Å²	44	47.8 Å²	47.8	20%	0.204	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	131.5	-177.6	-52.8	-86	0	0	0	111.5	R633 E637 C662 S663	R633-H672 WeakPolarHBondContact CG-NE2 3.35Å; R633-H672 VanDerWaalsContact CZ-CD2 3.45Å; R633-H672 PolarHBondContact NE-CD2 2.9Å; R633-H672 PolarHBondContact NE-NE2 3.32Å; R633-H672 PolarHBondContact NH2-CD2 2.93Å; E637-H672 IonicContact OE1-CD2 3.92Å; E637-H672 IonicContact OE1-NE2 2.53Å; E637-H672 PolarHBondContact OE1-NE2 2.98Å; E637-H672 VanDerWaalsContact OE1-NE2 3.1Å; C662-H672 CarbonylContact O-C 3.6Å; C662-H672 WeakPolarHBondContact O-CA 3.31Å; S663-H672 VanDerWaalsContact CB-ND1 3.34Å; S663-H672 WeakPolarHBondContact CB-ND1 3.28Å; S663-H672 PolarHBondContact OG-CE1 2.89Å; S663-H672 PolarHBondContact OG-ND1 3.3Å
673	C	85	Confident	82.1	Confident	19 Å²	19	47.8 Å²	47.8	13%	0.128	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	136.1	179.5	-51.2	0	0	0	0	109.4	A661 C662 F684 L713	A661-C673 CarbonylContact C-O 3.59Å; A661-C673 VanDerWaalsContact CA-O 3.27Å; A661-C673 WeakPolarHBondContact CA-O 3.41Å; C662-C673 PolarHBondContact N-O 3.49Å; C662-C673 PolarHBondContact O-N 3.23Å; C673-F684 HydrophobicContact CB-CD1 3.79Å; C673-F684 HydrophobicContact CB-CE1 3.8Å; C673-L713 WeakPolarHBondContact SG-CD1 3.35Å
674	V	84.8	Confident	81.6	Confident	59 Å²	59	49 Å²	49	36%	0.358	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	132.5	175.8	-178.3	0	0	0	0	108.7
675	I	85.8	Confident	80.9	Confident	0 Å²	0	51 Å²	51	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	114.3	169.9	-60.4	168.5	0	0	0	107	I650 Y660 C662 Y682 G683 F684 L694 L697	I650-I675 HydrophobicContact CD1-CD1 3.83Å; I650-I675 HydrophobicContact CG1-CD1 4.38Å; I650-I675 HydrophobicContact CG2-CD1 4.34Å; Y660-I675 PolarHBondContact N-O 2.97Å; Y660-I675 PolarHBondContact O-N 2.91Å; C662-I675 HydrophobicContact CB-CD1 3.95Å; C662-I675 HydrophobicContact CB-CG1 4.36Å; I675-Y682 HydrophobicContact CG2-CD1 4.37Å; I675-G683 CarbonylContact C-O 3.55Å; I675-G683 WeakPolarHBondContact CA-O 3.26Å; I675-F684 HydrophobicContact CD1-CE1 3.92Å; I675-F684 HydrophobicContact CD1-CZ 4.1Å; I675-F684 HydrophobicContact CG1-CD1 3.75Å; I675-F684 HydrophobicContact CG1-CE1 3.34Å; I675-F684 HydrophobicContact CG1-CZ 3.94Å; I675-L694 HydrophobicContact CD1-CD2 4.25Å; I675-L694 HydrophobicContact CG2-CD2 3.94Å; I675-L697 HydrophobicContact CD1-CD2 4.24Å; I675-L697 HydrophobicContact CG2-CD1 3.96Å
676	C	80.6	Confident	79.6	Confident	40 Å²	40	58.3 Å²	58.3	27%	0.27	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	136.3	178.4	-67.2	0	0	0	0	109.9	Y682 G683	C676-Y682 WeakPolarHBondContact O-CA 3.26Å; C676-G683 PolarHBondContact N-O 3.41Å; C676-G683 PolarHBondContact O-N 2.9Å
677	K	77.9	Confident	78.5	Confident	120 Å²	120	63 Å²	63	52%	0.522	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	115.8	169.4	-176.4	176.7	-177.8	167.2	0	108.6	Y682	K677-Y682 HydrophobicContact CB-CD1 4.13Å; K677-Y682 HydrophobicContact CB-CE1 3.86Å; K677-Y682 HydrophobicContact CD-CE1 3.75Å; K677-Y682 VanDerWaalsContact CE-OH 3.29Å; K677-Y682 WeakPolarHBondContact CE-OH 3.47Å; K677-Y682 HydrophobicContact CG-CD1 4.22Å; K677-Y682 HydrophobicContact CG-CE1 3.63Å; K677-Y682 PolarHBondContact NZ-OH 2.91Å
678	T	74.1	Confident	77.6	Confident	41 Å²	41	62.5 Å²	62.5	25%	0.252	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	173.3	178.5	60.9	0	0	0	0	110.7	T680 G681 N689	T678-T680 PolarHBondContact O-N 3Å; T678-T680 PolarHBondContact OG1-OG1 3.37Å; T678-G681 PolarHBondContact N-O 2.98Å; T678-G681 PolarHBondContact O-N 3.07Å; T678-G681 PolarHBondContact OG1-O 3.01Å; T678-N689 WeakPolarHBondContact CG2-ND2 3.32Å; T678-N689 WeakPolarHBondContact OG1-CB 3.27Å
679	C	70.6	Confident	77.2	Confident	138 Å²	138	60 Å²	60	93%	0.932	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-21.6	177.4	55.3	0	0	0	0	113.4
680	T	70	Confident	76.6	Confident	101 Å²	101	60.5 Å²	60.5	62%	0.62	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-13.4	178.9	59.1	0	0	0	0	113.6	T678 N689	T678-T680 PolarHBondContact O-N 3Å; T678-T680 PolarHBondContact OG1-OG1 3.37Å; T680-N689 CarbonylContact C-O 3.55Å; T680-N689 PolarHBondContact OG1-O 2.93Å
681	G	79.8	Confident	76.3	Confident	11 Å²	11	60.8 Å²	60.8	11%	0.113	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	142.1	-164	-177.5	0	0	0	0	0	114.3	T678 Y691	T678-G681 PolarHBondContact N-O 2.98Å; T678-G681 PolarHBondContact O-N 3.07Å; T678-G681 PolarHBondContact OG1-O 3.01Å; G681-Y691 CarbonylContact C-O 3.41Å; G681-Y691 WeakPolarHBondContact CA-O 3.21Å
682	Y	82.3	Confident	75.9	Confident	33 Å²	33	62 Å²	62	13%	0.129	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	145.4	177.1	-61.2	-87.6	0	0	0	111.1	Y660 I675 C676 K677 Y691 L694	Y660-Y682 HydrophobicContact CD2-CD1 4.39Å; Y660-Y682 HydrophobicContact CD2-CE1 4.05Å; Y660-Y682 AromaticContact CE2-CE1 3.83Å; Y660-Y682 HydrophobicContact CE2-CE1 3.83Å; I675-Y682 HydrophobicContact CG2-CD1 4.37Å; C676-Y682 WeakPolarHBondContact O-CA 3.26Å; K677-Y682 HydrophobicContact CB-CD1 4.13Å; K677-Y682 HydrophobicContact CB-CE1 3.86Å; K677-Y682 HydrophobicContact CD-CE1 3.75Å; K677-Y682 VanDerWaalsContact CE-OH 3.29Å; K677-Y682 WeakPolarHBondContact CE-OH 3.47Å; K677-Y682 HydrophobicContact CG-CD1 4.22Å; K677-Y682 HydrophobicContact CG-CE1 3.63Å; K677-Y682 PolarHBondContact NZ-OH 2.91Å; Y682-Y691 PolarHBondContact N-O 3.09Å; Y682-Y691 WeakPolarHBondContact O-CD2 3.47Å; Y682-Y691 PolarHBondContact O-N 3.01Å; Y682-L694 HydrophobicContact CD1-CD2 3.67Å; Y682-L694 HydrophobicContact CD1-CG 4.08Å; Y682-L694 HydrophobicContact CE1-CD2 4.2Å; Y682-L694 HydrophobicContact CE1-CG 4.17Å; Y682-L694 HydrophobicContact CG-CD2 3.99Å; Y682-L694 HydrophobicContact CG-CG 4.34Å
683	G	82.3	Confident	75.8	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.5	171.2	174.9	0	0	0	0	0	113.5	I675 C676 N689	I675-G683 CarbonylContact C-O 3.55Å; I675-G683 WeakPolarHBondContact CA-O 3.26Å; C676-G683 PolarHBondContact N-O 3.41Å; C676-G683 PolarHBondContact O-N 2.9Å; G683-N689 VanDerWaalsContact C-OD1 3.31Å; G683-N689 WeakPolarHBondContact CA-OD1 3.37Å; G683-N689 PolarHBondContact N-OD1 3.36Å
684	F	79.9	Confident	75.7	Confident	25 Å²	25	61.5 Å²	61.5	11%	0.11	35%	0.346	C	S	.	.	S	Bend	trans	-87.2	-25.7	-179.2	-67.9	-72.3	0	0	0	113.5	C662 C673 I675 L697 Y701 L706	C662-F684 HydrophobicContact CB-CE1 3.75Å; C662-F684 HydrophobicContact CB-CZ 4.09Å; C673-F684 HydrophobicContact CB-CD1 3.79Å; C673-F684 HydrophobicContact CB-CE1 3.8Å; I675-F684 HydrophobicContact CD1-CE1 3.92Å; I675-F684 HydrophobicContact CD1-CZ 4.1Å; I675-F684 HydrophobicContact CG1-CD1 3.75Å; I675-F684 HydrophobicContact CG1-CE1 3.34Å; I675-F684 HydrophobicContact CG1-CZ 3.94Å; F684-L697 HydrophobicContact CE2-CD2 3.74Å; F684-L697 HydrophobicContact CE2-CG 4.43Å; F684-L697 HydrophobicContact CZ-CD2 3.93Å; F684-Y701 HydrophobicContact CD2-CD2 4.3Å; F684-Y701 HydrophobicContact CD2-CE1 4.09Å; F684-Y701 AromaticContact CD2-CE2 3.84Å; F684-Y701 HydrophobicContact CD2-CE2 3.84Å; F684-Y701 AromaticContact CD2-CZ 3.74Å; F684-Y701 HydrophobicContact CE2-CD1 4.3Å; F684-Y701 AromaticContact CE2-CD2 3.73Å; F684-Y701 HydrophobicContact CE2-CD2 3.73Å; F684-Y701 HydrophobicContact CE2-CE1 4.2Å; F684-Y701 AromaticContact CE2-CE2 3.73Å; F684-Y701 HydrophobicContact CE2-CE2 3.73Å; F684-Y701 HydrophobicContact CE2-CG 4.08Å; F684-Y701 AromaticContact CE2-CZ 3.99Å; F684-L706 HydrophobicContact CD2-CD2 3.9Å; F684-L706 HydrophobicContact CE2-CD2 3.45Å; F684-L706 VanDerWaalsContact CE2-CD2 3.45Å; F684-L706 HydrophobicContact CZ-CD2 3.87Å
685	A	73.9	Confident	75.5	Confident	42 Å²	42	61.9 Å²	61.9	35%	0.347	34%	0.344	S	S	.	.	S	Bend	trans	-159.1	148.8	177.4	0	0	0	0	0	111.1	Y688	A685-Y688 WeakPolarHBondContact O-CA 3.28Å; A685-Y688 PolarHBondContact O-N 2.98Å
686	E	61.1	Low	75.3	Confident	156 Å²	156	66 Å²	66	73%	0.729	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	138.7	167.5	-75.6	-178.1	174.2	0	0	110.1	N689	E686-N689 VanDerWaalsContact CG-ND2 3.3Å; E686-N689 WeakPolarHBondContact CG-ND2 3.48Å
687	P	61.8	Low	75.5	Confident	100 Å²	100	64.1 Å²	64.1	65%	0.649	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	cis	-91.6	11.7	11.1	35.9	-36.4	0	0	0	115.7	N689	P687-N689 VanDerWaalsContact C-N 3.33Å; P687-N689 PolarHBondContact O-N 3.29Å
688	Y	62	Low	75.9	Confident	121 Å²	121	58.4 Å²	58.4	48%	0.475	33%	0.325	S	S	.	.			trans	-90.2	24.9	-169.6	-55.6	-78.8	0	0	0	114.9	A685 L690 H709	A685-Y688 WeakPolarHBondContact O-CA 3.28Å; A685-Y688 PolarHBondContact O-N 2.98Å; Y688-L690 PolarHBondContact O-N 3.14Å; Y688-H709 AromaticContact CD2-CE1 3.93Å
689	N	67.3	Low	76.2	Confident	4 Å²	4	58.5 Å²	58.5	2%	0.021	32%	0.324	C	S	.	.			trans	-84.5	58.5	175.8	-61.2	-29	0	0	0	111.3	T678 T680 G683 E686 P687	T678-N689 WeakPolarHBondContact CG2-ND2 3.32Å; T678-N689 WeakPolarHBondContact OG1-CB 3.27Å; T680-N689 CarbonylContact C-O 3.55Å; T680-N689 PolarHBondContact OG1-O 2.93Å; G683-N689 VanDerWaalsContact C-OD1 3.31Å; G683-N689 WeakPolarHBondContact CA-OD1 3.37Å; G683-N689 PolarHBondContact N-OD1 3.36Å; E686-N689 VanDerWaalsContact CG-ND2 3.3Å; E686-N689 WeakPolarHBondContact CG-ND2 3.48Å; P687-N689 VanDerWaalsContact C-N 3.33Å; P687-N689 PolarHBondContact O-N 3.29Å
690	L	70.6	Confident	76.7	Confident	125 Å²	125	55.1 Å²	55.1	65%	0.654	30%	0.295	S	S	*	.			trans	-101.6	-5.4	-167.4	-65.3	164.7	0	0	0	113.7	Y688	Y688-L690 PolarHBondContact O-N 3.14Å
691	Y	80.3	Confident	77.2	Confident	37 Å²	37	50.4 Å²	50.4	15%	0.145	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-92.5	129.8	-172.7	-56.5	-73.2	0	0	0	111.4	G681 Y682 S693 E696 L697 H700 Y701	G681-Y691 CarbonylContact C-O 3.41Å; G681-Y691 WeakPolarHBondContact CA-O 3.21Å; Y682-Y691 PolarHBondContact N-O 3.09Å; Y682-Y691 WeakPolarHBondContact O-CD2 3.47Å; Y682-Y691 PolarHBondContact O-N 3.01Å; Y691-S693 VanDerWaalsContact C-N 3.3Å; Y691-S693 PolarHBondContact O-N 3.15Å; Y691-E696 HydrophobicContact CD1-CB 4.36Å; Y691-L697 HydrophobicContact CD2-CB 4.04Å; Y691-L697 HydrophobicContact CD2-CD1 4.13Å; Y691-L697 HydrophobicContact CD2-CG 4.05Å; Y691-L697 HydrophobicContact CG-CB 3.96Å; Y691-L697 HydrophobicContact CG-CG 4.49Å; Y691-H700 HydrophobicContact CD1-CB 4.44Å; Y691-H700 HydrophobicContact CE1-CB 3.67Å; Y691-H700 AromaticContact CE1-CG 3.68Å; Y691-H700 AromaticContact CE1-ND1 3.96Å; Y691-H700 AromaticContact CZ-CD2 3.72Å; Y691-H700 AromaticContact CZ-CG 3.64Å; Y691-H700 PolarHBondContact OH-CD2 2.95Å; Y691-H700 PolarHBondContact OH-CE1 2.83Å; Y691-H700 VanDerWaalsContact OH-CE1 3.31Å; Y691-H700 PolarHBondContact OH-ND1 2.75Å; Y691-H700 PolarHBondContact OH-NE2 2.84Å; Y691-Y701 HydrophobicContact CD2-CE2 4.48Å; Y691-Y701 AromaticContact CE2-CE2 3.79Å; Y691-Y701 HydrophobicContact CE2-CE2 3.79Å
692	S	77.3	Confident	77.3	Confident	86 Å²	86	52.6 Å²	52.6	60%	0.601	27%	0.272	S	S	*	.	S	Bend	trans	-74.9	-23.5	-174.4	74.4	0	0	0	0	112.5	E696	S692-E696 WeakPolarHBondContact CB-OE2 3.4Å; S692-E696 PolarHBondContact N-OE2 2.77Å; S692-E696 PolarHBondContact OG-OE1 2.76Å; S692-E696 VanDerWaalsContact OG-OE1 3.12Å; S692-E696 PolarHBondContact OG-OE2 2.8Å
693	S	84.1	Confident	77	Confident	33 Å²	33	56.9 Å²	56.9	23%	0.231	30%	0.297	C	S	.	.	S	Bend	trans	-137.7	162.4	176	73.5	0	0	0	0	112.5	Y691 Q695 E696 L697	Y691-S693 VanDerWaalsContact C-N 3.3Å; Y691-S693 PolarHBondContact O-N 3.15Å; S693-Q695 PolarHBondContact O-N 2.97Å; S693-Q695 PolarHBondContact OG-N 3.25Å; S693-E696 PolarHBondContact OG-N 3.32Å; S693-E696 VanDerWaalsContact OG-N 3.13Å; S693-L697 PolarHBondContact O-N 3.17Å
694	L	82.3	Confident	76.8	Confident	20 Å²	20	59.3 Å²	59.3	11%	0.105	31%	0.311	C	S	.	.	H	α-helix	trans	-64	-31.9	171.4	-72.3	175.1	0	0	0	112	W626 Y660 I675 Y682 L697 V698	W626-L694 HydrophobicContact CH2-CB 3.9Å; W626-L694 HydrophobicContact CZ3-CB 4.26Å; Y660-L694 HydrophobicContact CD1-CD1 4Å; Y660-L694 HydrophobicContact CD2-CD1 3.76Å; Y660-L694 HydrophobicContact CD2-CD2 4.05Å; Y660-L694 HydrophobicContact CD2-CG 4.34Å; Y660-L694 HydrophobicContact CE1-CD1 3.99Å; Y660-L694 HydrophobicContact CE2-CD1 3.75Å; Y660-L694 HydrophobicContact CE2-CG 4.47Å; Y660-L694 HydrophobicContact CG-CD1 3.88Å; Y660-L694 HydrophobicContact CG-CD2 4.34Å; I675-L694 HydrophobicContact CD1-CD2 4.25Å; I675-L694 HydrophobicContact CG2-CD2 3.94Å; Y682-L694 HydrophobicContact CD1-CD2 3.67Å; Y682-L694 HydrophobicContact CD1-CG 4.08Å; Y682-L694 HydrophobicContact CE1-CD2 4.2Å; Y682-L694 HydrophobicContact CE1-CG 4.17Å; Y682-L694 HydrophobicContact CG-CD2 3.99Å; Y682-L694 HydrophobicContact CG-CG 4.34Å; L694-L697 WeakPolarHBondContact O-CB 3.34Å; L694-L697 PolarHBondContact O-N 3.06Å; L694-V698 WeakPolarHBondContact O-CG2 3.44Å; L694-V698 PolarHBondContact O-N 2.98Å
695	Q	82.3	Confident	76.8	Confident	66 Å²	66	59.4 Å²	59.4	31%	0.308	32%	0.315	S	S	.	.	H	α-helix	trans	-64	-47.2	178.5	-170.8	-168.5	27.5	0	0	111.1	H621 W626 S693 L697 V698 L699	H621-Q695 PolarHBondContact O-NE2 3.28Å; W626-Q695 HydrophobicContact CZ2-CB 4.29Å; S693-Q695 PolarHBondContact O-N 2.97Å; S693-Q695 PolarHBondContact OG-N 3.25Å; Q695-L697 VanDerWaalsContact C-N 3.3Å; Q695-L697 PolarHBondContact O-N 2.92Å; Q695-V698 PolarHBondContact O-N 3.11Å; Q695-L699 HydrophobicContact CG-CD1 4.29Å; Q695-L699 WeakPolarHBondContact O-CG 3.14Å; Q695-L699 PolarHBondContact O-N 3.12Å
696	E	81.1	Confident	77	Confident	87 Å²	87	57.5 Å²	57.5	41%	0.407	30%	0.299	S	S	.	.	H	α-helix	trans	-61	-39.7	175.2	-77	179.1	175.7	0	0	112.2	Y691 S692 S693 L699 H700	Y691-E696 HydrophobicContact CD1-CB 4.36Å; S692-E696 WeakPolarHBondContact CB-OE2 3.4Å; S692-E696 PolarHBondContact N-OE2 2.77Å; S692-E696 PolarHBondContact OG-OE1 2.76Å; S692-E696 VanDerWaalsContact OG-OE1 3.12Å; S692-E696 PolarHBondContact OG-OE2 2.8Å; S693-E696 PolarHBondContact OG-N 3.32Å; S693-E696 VanDerWaalsContact OG-N 3.13Å; E696-L699 PolarHBondContact O-N 2.77Å; E696-H700 WeakPolarHBondContact O-CB 3.48Å; E696-H700 PolarHBondContact O-N 2.92Å
697	L	84.7	Confident	77.7	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-59.7	-50.7	174.2	-176.6	154.8	0	0	0	110.1	I675 F684 Y691 S693 L694 Q695 L699 H700 Y701	I675-L697 HydrophobicContact CD1-CD2 4.24Å; I675-L697 HydrophobicContact CG2-CD1 3.96Å; F684-L697 HydrophobicContact CE2-CD2 3.74Å; F684-L697 HydrophobicContact CE2-CG 4.43Å; F684-L697 HydrophobicContact CZ-CD2 3.93Å; Y691-L697 HydrophobicContact CD2-CB 4.04Å; Y691-L697 HydrophobicContact CD2-CD1 4.13Å; Y691-L697 HydrophobicContact CD2-CG 4.05Å; Y691-L697 HydrophobicContact CG-CB 3.96Å; Y691-L697 HydrophobicContact CG-CG 4.49Å; S693-L697 PolarHBondContact O-N 3.17Å; L694-L697 WeakPolarHBondContact O-CB 3.34Å; L694-L697 PolarHBondContact O-N 3.06Å; Q695-L697 VanDerWaalsContact C-N 3.3Å; Q695-L697 PolarHBondContact O-N 2.92Å; L697-L699 VanDerWaalsContact C-N 3.35Å; L697-L699 PolarHBondContact O-N 2.85Å; L697-H700 PolarHBondContact O-N 2.9Å; L697-Y701 HydrophobicContact CD2-CD2 3.83Å; L697-Y701 HydrophobicContact CD2-CE2 4.24Å; L697-Y701 HydrophobicContact CG-CD2 3.88Å; L697-Y701 HydrophobicContact CG-CE2 3.89Å; L697-Y701 WeakPolarHBondContact O-CD2 3.35Å; L697-Y701 PolarHBondContact O-N 2.81Å
698	V	85.5	Confident	78.1	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-60.2	-43.1	179.2	169.7	0	0	0	0	111.9	H620 W626 F648 I650 L694 Q695 H700 Y701 K702 L717	H620-V698 HydrophobicContact CB-CG1 4.26Å; W626-V698 HydrophobicContact CD2-CG1 4.48Å; W626-V698 HydrophobicContact CD2-CG2 4.09Å; W626-V698 HydrophobicContact CE3-CG2 4.04Å; W626-V698 HydrophobicContact CH2-CG2 4.17Å; W626-V698 HydrophobicContact CZ2-CB 4.48Å; W626-V698 HydrophobicContact CZ2-CG2 4.19Å; W626-V698 HydrophobicContact CZ3-CG2 4.09Å; F648-V698 HydrophobicContact CE2-CG1 3.74Å; F648-V698 HydrophobicContact CE2-CG2 4.01Å; F648-V698 HydrophobicContact CZ-CG1 3.45Å; F648-V698 VanDerWaalsContact CZ-CG1 3.45Å; I650-V698 HydrophobicContact CD1-CG2 3.47Å; I650-V698 VanDerWaalsContact CD1-CG2 3.47Å; L694-V698 WeakPolarHBondContact O-CG2 3.44Å; L694-V698 PolarHBondContact O-N 2.98Å; Q695-V698 PolarHBondContact O-N 3.11Å; V698-H700 VanDerWaalsContact C-N 3.32Å; V698-H700 PolarHBondContact O-N 2.95Å; V698-Y701 PolarHBondContact O-N 3.16Å; V698-K702 PolarHBondContact O-N 3.05Å; V698-L717 HydrophobicContact CG2-CD1 4.39Å
699	L	82	Confident	78.5	Confident	43 Å²	43	47.7 Å²	47.7	23%	0.225	25%	0.253	C	S	.	.	H	α-helix	trans	-63.2	-37.3	177.7	-71.7	169	0	0	0	112.3	H620 H621 Q695 E696 L697 K702	H620-L699 HydrophobicContact CB-CD2 3.99Å; H621-L699 VanDerWaalsContact CE1-CD2 3.45Å; H621-L699 WeakPolarHBondContact CE1-CD2 3.27Å; Q695-L699 HydrophobicContact CG-CD1 4.29Å; Q695-L699 WeakPolarHBondContact O-CG 3.14Å; Q695-L699 PolarHBondContact O-N 3.12Å; E696-L699 PolarHBondContact O-N 2.77Å; L697-L699 VanDerWaalsContact C-N 3.35Å; L697-L699 PolarHBondContact O-N 2.85Å; L699-K702 WeakPolarHBondContact O-CB 3.5Å
700	H	81.2	Confident	78.7	Confident	68 Å²	68	51 Å²	51	32%	0.315	27%	0.271	S	S	.	.	H	α-helix	trans	-67.8	-50.3	175.8	-174.9	88	0	0	0	112.2	Y691 E696 L697 V698 K702 N703 V704	Y691-H700 HydrophobicContact CD1-CB 4.44Å; Y691-H700 HydrophobicContact CE1-CB 3.67Å; Y691-H700 AromaticContact CE1-CG 3.68Å; Y691-H700 AromaticContact CE1-ND1 3.96Å; Y691-H700 AromaticContact CZ-CD2 3.72Å; Y691-H700 AromaticContact CZ-CG 3.64Å; Y691-H700 PolarHBondContact OH-CD2 2.95Å; Y691-H700 PolarHBondContact OH-CE1 2.83Å; Y691-H700 VanDerWaalsContact OH-CE1 3.31Å; Y691-H700 PolarHBondContact OH-ND1 2.75Å; Y691-H700 PolarHBondContact OH-NE2 2.84Å; E696-H700 WeakPolarHBondContact O-CB 3.48Å; E696-H700 PolarHBondContact O-N 2.92Å; L697-H700 PolarHBondContact O-N 2.9Å; V698-H700 VanDerWaalsContact C-N 3.32Å; V698-H700 PolarHBondContact O-N 2.95Å; H700-K702 PolarHBondContact O-N 3.13Å; H700-N703 PolarHBondContact O-N 3.07Å; H700-N703 VanDerWaalsContact O-N 3.07Å; H700-V704 PolarHBondContact O-N 3.32Å
701	Y	79.9	Confident	78.7	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.008	28%	0.276	C	S	.	.	H	α-helix	trans	-78.1	-1.8	-178.2	-69.7	-83	0	0	0	114.2	F684 Y691 L697 V698 N703 V704 L706 Q708 H709 L717	F684-Y701 HydrophobicContact CD2-CD2 4.3Å; F684-Y701 HydrophobicContact CD2-CE1 4.09Å; F684-Y701 AromaticContact CD2-CE2 3.84Å; F684-Y701 HydrophobicContact CD2-CE2 3.84Å; F684-Y701 AromaticContact CD2-CZ 3.74Å; F684-Y701 HydrophobicContact CE2-CD1 4.3Å; F684-Y701 AromaticContact CE2-CD2 3.73Å; F684-Y701 HydrophobicContact CE2-CD2 3.73Å; F684-Y701 HydrophobicContact CE2-CE1 4.2Å; F684-Y701 AromaticContact CE2-CE2 3.73Å; F684-Y701 HydrophobicContact CE2-CE2 3.73Å; F684-Y701 HydrophobicContact CE2-CG 4.08Å; F684-Y701 AromaticContact CE2-CZ 3.99Å; Y691-Y701 HydrophobicContact CD2-CE2 4.48Å; Y691-Y701 AromaticContact CE2-CE2 3.79Å; Y691-Y701 HydrophobicContact CE2-CE2 3.79Å; L697-Y701 HydrophobicContact CD2-CD2 3.83Å; L697-Y701 HydrophobicContact CD2-CE2 4.24Å; L697-Y701 HydrophobicContact CG-CD2 3.88Å; L697-Y701 HydrophobicContact CG-CE2 3.89Å; L697-Y701 WeakPolarHBondContact O-CD2 3.35Å; L697-Y701 PolarHBondContact O-N 2.81Å; V698-Y701 PolarHBondContact O-N 3.16Å; Y701-N703 VanDerWaalsContact C-N 3.33Å; Y701-V704 CarbonylContact C-O 3.53Å; Y701-V704 WeakPolarHBondContact CA-O 3.32Å; Y701-V704 VanDerWaalsContact O-O 3.13Å; Y701-L706 HydrophobicContact CD1-CD2 3.41Å; Y701-L706 VanDerWaalsContact CD1-CD2 3.41Å; Y701-L706 HydrophobicContact CD1-CG 4.18Å; Y701-L706 HydrophobicContact CE1-CD2 3.81Å; Y701-L706 HydrophobicContact CG-CD2 3.96Å; Y701-Q708 HydrophobicContact CE1-CG 4.43Å; Y701-H709 AromaticContact CE1-CD2 3.69Å; Y701-H709 AromaticContact CE1-NE2 3.5Å; Y701-H709 AromaticContact CZ-NE2 3.47Å; Y701-H709 PolarHBondContact OH-NE2 2.85Å; Y701-L717 PolarHBondContact O-N 3.3Å
702	K	81.4	Confident	78.1	Confident	56 Å²	56	56.6 Å²	56.6	24%	0.243	30%	0.299	C	S	.	.	H	α-helix	trans	-63.7	-41.9	160.5	179.1	-167.8	169.7	-168.6	0	110.7	S618 V698 L699 H700 N716	S618-K702 PolarHBondContact OG-NZ 3.04Å; V698-K702 PolarHBondContact O-N 3.05Å; L699-K702 WeakPolarHBondContact O-CB 3.5Å; H700-K702 PolarHBondContact O-N 3.13Å; K702-N716 WeakPolarHBondContact O-CB 3.43Å; K702-N716 PolarHBondContact O-ND2 3.37Å
703	N	75.3	Confident	77.9	Confident	123 Å²	123	52.9 Å²	52.9	66%	0.658	27%	0.273	S	S	*	.	H	α-helix	trans	-96.9	-20.4	-174.9	-63.8	-28.2	0	0	0	112.8	H700 Y701 N716	H700-N703 PolarHBondContact O-N 3.07Å; H700-N703 VanDerWaalsContact O-N 3.07Å; Y701-N703 VanDerWaalsContact C-N 3.33Å; N703-N716 PolarHBondContact O-ND2 3.42Å
704	V	78.9	Confident	77.5	Confident	51 Å²	51	57 Å²	57	31%	0.309	29%	0.292	S	S	.	.	S	Bend	trans	-116.1	128.8	-178.2	-172.3	0	0	0	0	111.3	H700 Y701	H700-V704 PolarHBondContact O-N 3.32Å; Y701-V704 CarbonylContact C-O 3.53Å; Y701-V704 WeakPolarHBondContact CA-O 3.32Å; Y701-V704 VanDerWaalsContact O-O 3.13Å
705	S	79.6	Confident	77.3	Confident	27 Å²	27	56.8 Å²	56.8	19%	0.189	29%	0.292	C	S	.	.			trans	-63.7	141.6	179.9	178.3	0	0	0	0	112.4	A707 Q708 N714 N716	S705-A707 PolarHBondContact O-N 2.9Å; S705-A707 WeakPolarHBondContact OG-CB 3.41Å; S705-A707 PolarHBondContact OG-N 2.97Å; S705-Q708 WeakPolarHBondContact O-CG 3.46Å; S705-N714 PolarHBondContact OG-OD1 3.47Å; S705-N716 WeakPolarHBondContact CA-OD1 3.24Å; S705-N716 VanDerWaalsContact CB-OD1 3.31Å; S705-N716 WeakPolarHBondContact CB-OD1 3.38Å; S705-N716 PolarHBondContact N-OD1 2.72Å
706	L	77.5	Confident	77.3	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.01	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-70.2	-7	173.1	-70.4	168.8	0	0	0	112.9	V664 F684 Y701 Q708 H709 N710 L713 V715 L717	V664-L706 HydrophobicContact CG1-CD1 4.32Å; F684-L706 HydrophobicContact CD2-CD2 3.9Å; F684-L706 HydrophobicContact CE2-CD2 3.45Å; F684-L706 VanDerWaalsContact CE2-CD2 3.45Å; F684-L706 HydrophobicContact CZ-CD2 3.87Å; Y701-L706 HydrophobicContact CD1-CD2 3.41Å; Y701-L706 VanDerWaalsContact CD1-CD2 3.41Å; Y701-L706 HydrophobicContact CD1-CG 4.18Å; Y701-L706 HydrophobicContact CE1-CD2 3.81Å; Y701-L706 HydrophobicContact CG-CD2 3.96Å; L706-Q708 PolarHBondContact O-N 2.84Å; L706-Q708 VanDerWaalsContact O-N 3.09Å; L706-H709 PolarHBondContact O-N 3.42Å; L706-N710 PolarHBondContact O-N 2.92Å; L706-L713 CarbonylContact C-O 3.55Å; L706-L713 VanDerWaalsContact C-O 3.24Å; L706-L713 HydrophobicContact CB-CB 3.88Å; L706-L713 WeakPolarHBondContact CB-O 3.4Å; L706-V715 PolarHBondContact N-O 2.83Å; L706-L717 HydrophobicContact CD1-CD2 3.78Å; L706-L717 HydrophobicContact CD1-CG 4.33Å
707	A	75.9	Confident	77.5	Confident	25 Å²	25	52 Å²	52	21%	0.207	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-53.8	-29.5	174.5	0	0	0	0	0	112.5	S705 H709 N710 L713 N714	S705-A707 PolarHBondContact O-N 2.9Å; S705-A707 WeakPolarHBondContact OG-CB 3.41Å; S705-A707 PolarHBondContact OG-N 2.97Å; A707-H709 PolarHBondContact O-N 3.5Å; A707-H709 VanDerWaalsContact O-N 3.14Å; A707-N710 WeakPolarHBondContact CA-O 3.3Å; A707-N710 CarbonylContact O-C 3.44Å; A707-N710 PolarHBondContact O-N 3.01Å; A707-L713 PolarHBondContact N-O 3.48Å; A707-N714 HydrophobicContact CB-CB 4.38Å
708	Q	70.8	Confident	77.2	Confident	97 Å²	97	53.6 Å²	53.6	45%	0.453	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-61.6	-21.6	178.5	69.6	179.8	-37.6	0	0	114	Y701 S705 L706	Y701-Q708 HydrophobicContact CE1-CG 4.43Å; S705-Q708 WeakPolarHBondContact O-CG 3.46Å; L706-Q708 PolarHBondContact O-N 2.84Å; L706-Q708 VanDerWaalsContact O-N 3.09Å
709	H	70.4	Confident	77.1	Confident	50 Å²	50	59.8 Å²	59.8	23%	0.231	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-27.4	177.1	-62.8	-64.5	0	0	0	112.9	Y688 Y701 L706 A707	Y688-H709 AromaticContact CD2-CE1 3.93Å; Y701-H709 AromaticContact CE1-CD2 3.69Å; Y701-H709 AromaticContact CE1-NE2 3.5Å; Y701-H709 AromaticContact CZ-NE2 3.47Å; Y701-H709 PolarHBondContact OH-NE2 2.85Å; L706-H709 PolarHBondContact O-N 3.42Å; A707-H709 PolarHBondContact O-N 3.5Å; A707-H709 VanDerWaalsContact O-N 3.14Å
710	N	71.5	Confident	77.3	Confident	72 Å²	72	58 Å²	58	39%	0.385	30%	0.3	S	S	.	.			trans	-156.8	119.3	177.2	-173.8	-20	0	0	0	109.5	L706 A707 H712 L713	L706-N710 PolarHBondContact O-N 2.92Å; A707-N710 WeakPolarHBondContact CA-O 3.3Å; A707-N710 CarbonylContact O-C 3.44Å; A707-N710 PolarHBondContact O-N 3.01Å; N710-H712 PolarHBondContact O-N 3.24Å; N710-H712 WeakPolarHBondContact OD1-CB 3.49Å; N710-H712 PolarHBondContact OD1-CD2 3.03Å; N710-H712 PolarHBondContact OD1-N 2.98Å; N710-L713 HydrophobicContact CB-CB 4.48Å; N710-L713 HydrophobicContact CB-CD1 3.83Å; N710-L713 HydrophobicContact CB-CG 4.07Å; N710-L713 WeakPolarHBondContact O-CB 3.46Å; N710-L713 PolarHBondContact O-N 3.3Å
711	D	70.7	Confident	77.3	Confident	143 Å²	143	55.3 Å²	55.3	77%	0.765	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-22.2	-179.4	-62.1	-36.7	0	0	0	113.2	L713	D711-L713 VanDerWaalsContact C-N 3.27Å; D711-L713 PolarHBondContact O-N 3.06Å
712	H	67.6	Low	77.1	Confident	138 Å²	138	59.5 Å²	59.5	64%	0.639	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	1.4	174.9	-60.5	-64	0	0	0	114.5	K671 N710	K671-H712 PolarHBondContact NZ-O 3.23Å; N710-H712 PolarHBondContact O-N 3.24Å; N710-H712 WeakPolarHBondContact OD1-CB 3.49Å; N710-H712 PolarHBondContact OD1-CD2 3.03Å; N710-H712 PolarHBondContact OD1-N 2.98Å
713	L	73.3	Confident	76.5	Confident	8 Å²	8	58.1 Å²	58.1	4%	0.042	31%	0.308	C	S	.	.			trans	-118.3	52.8	179.9	-62.9	173.8	0	0	0	111.2	V664 V666 K671 C673 L706 A707 N710 D711 V715	V664-L713 HydrophobicContact CG1-CD2 4.4Å; V666-L713 HydrophobicContact CG2-CD2 3.98Å; K671-L713 HydrophobicContact CB-CD2 3.67Å; K671-L713 HydrophobicContact CD-CD2 3.52Å; K671-L713 HydrophobicContact CG-CD2 4.2Å; C673-L713 WeakPolarHBondContact SG-CD1 3.35Å; L706-L713 CarbonylContact C-O 3.55Å; L706-L713 VanDerWaalsContact C-O 3.24Å; L706-L713 HydrophobicContact CB-CB 3.88Å; L706-L713 WeakPolarHBondContact CB-O 3.4Å; A707-L713 PolarHBondContact N-O 3.48Å; N710-L713 HydrophobicContact CB-CB 4.48Å; N710-L713 HydrophobicContact CB-CD1 3.83Å; N710-L713 HydrophobicContact CB-CG 4.07Å; N710-L713 WeakPolarHBondContact O-CB 3.46Å; N710-L713 PolarHBondContact O-N 3.3Å; D711-L713 VanDerWaalsContact C-N 3.27Å; D711-L713 PolarHBondContact O-N 3.06Å; L713-V715 PolarHBondContact O-N 3.4Å
714	N	75.9	Confident	75.5	Confident	119 Å²	119	64.1 Å²	64.1	64%	0.636	32%	0.322	S	S	*	.			trans	-78.5	57.3	-179.7	-167.1	23.7	0	0	0	113.2	S705 A707	S705-N714 PolarHBondContact OG-OD1 3.47Å; A707-N714 HydrophobicContact CB-CB 4.38Å
715	V	77.6	Confident	73.8	Confident	16 Å²	16	66.2 Å²	66.2	10%	0.097	34%	0.339	C	S	.	.			trans	-140.6	157.6	175.7	-61	0	0	0	0	110.3	D645 V664 V666 L706 L713	D645-V715 HydrophobicContact CB-CG1 4.5Å; V664-V715 HydrophobicContact CG2-CG2 3.74Å; V666-V715 HydrophobicContact CB-CG1 4.3Å; V666-V715 HydrophobicContact CG1-CG1 3.99Å; V666-V715 HydrophobicContact CG2-CB 4.46Å; V666-V715 HydrophobicContact CG2-CG1 4.08Å; V666-V715 HydrophobicContact CG2-CG2 3.52Å; L706-V715 PolarHBondContact N-O 2.83Å; L713-V715 PolarHBondContact O-N 3.4Å
716	N	83.5	Confident	71.9	Confident	52 Å²	52	73.5 Å²	73.5	28%	0.278	37%	0.37	S	S	.	.			trans	-99.9	160.7	170.9	-63.4	20.9	0	0	0	109.9	G646 K702 N703 S705 A718	G646-N716 VanDerWaalsContact CA-O 3.28Å; G646-N716 WeakPolarHBondContact CA-O 3.34Å; K702-N716 WeakPolarHBondContact O-CB 3.43Å; K702-N716 PolarHBondContact O-ND2 3.37Å; N703-N716 PolarHBondContact O-ND2 3.42Å; S705-N716 WeakPolarHBondContact CA-OD1 3.24Å; S705-N716 VanDerWaalsContact CB-OD1 3.31Å; S705-N716 WeakPolarHBondContact CB-OD1 3.38Å; S705-N716 PolarHBondContact N-OD1 2.72Å; N716-A718 PolarHBondContact O-N 3.37Å
717	L	83.8	Confident	69.8	Low	0 Å²	0	80.3 Å²	80.3	0%	0	41%	0.406	C	S	.	.			trans	-76.6	71.4	171.8	-60.1	-173.7	0	0	0	109.8	H620 F648 V664 V698 Y701 L706	H620-L717 PolarHBondContact CD2-O 2.63Å; H620-L717 PolarHBondContact NE2-O 3.43Å; H620-L717 VanDerWaalsContact NE2-O 3.1Å; F648-L717 HydrophobicContact CB-CD2 3.61Å; F648-L717 HydrophobicContact CD1-CB 3.62Å; F648-L717 HydrophobicContact CD1-CD2 4.1Å; F648-L717 HydrophobicContact CD1-CG 4.38Å; F648-L717 HydrophobicContact CD2-CB 4.23Å; F648-L717 HydrophobicContact CD2-CD1 4.1Å; F648-L717 HydrophobicContact CD2-CD2 3.88Å; F648-L717 HydrophobicContact CD2-CG 4.3Å; F648-L717 HydrophobicContact CE1-CB 3.65Å; F648-L717 WeakPolarHBondContact CE1-O 3.4Å; F648-L717 HydrophobicContact CE2-CB 4.24Å; F648-L717 HydrophobicContact CE2-CD1 4.14Å; F648-L717 HydrophobicContact CG-CB 3.95Å; F648-L717 HydrophobicContact CG-CD2 3.59Å; F648-L717 HydrophobicContact CG-CG 4.21Å; F648-L717 HydrophobicContact CZ-CB 3.98Å; V664-L717 HydrophobicContact CB-CD2 4.48Å; V664-L717 HydrophobicContact CG2-CD2 4.26Å; V698-L717 HydrophobicContact CG2-CD1 4.39Å; Y701-L717 PolarHBondContact O-N 3.3Å; L706-L717 HydrophobicContact CD1-CD2 3.78Å; L706-L717 HydrophobicContact CD1-CG 4.33Å
718	A	78.9	Confident	67.8	Low	33 Å²	33	87 Å²	87	27%	0.273	44%	0.438	S	S	.	.			trans	-87	-32.5	-167.6	0	0	0	0	0	113.9	H620 G646 N716	H620-A718 PolarHBondContact CE1-O 2.96Å; H620-A718 PolarHBondContact NE2-O 2.97Å; H620-A718 VanDerWaalsContact NE2-O 3.12Å; G646-A718 PolarHBondContact O-N 3.5Å; N716-A718 PolarHBondContact O-N 3.37Å
719	Y	84.4	Confident	65.9	Low	131 Å²	131	95.5 Å²	95.5	51%	0.514	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	109.7	-173.6	-52.3	-72.1	0	0	0	111.7	G646 T647 F648 V721	G646-Y719 PolarHBondContact O-N 3.45Å; G646-Y719 VanDerWaalsContact O-N 3.12Å; T647-Y719 CarbonylContact C-O 3.59Å; T647-Y719 VanDerWaalsContact CA-O 3.26Å; T647-Y719 WeakPolarHBondContact CA-O 3.34Å; T647-Y719 WeakPolarHBondContact CG2-O 3.32Å; F648-Y719 WeakPolarHBondContact CD1-O 3.3Å; F648-Y719 PolarHBondContact N-O 3.17Å; Y719-V721 PolarHBondContact O-N 3.27Å
720	P	85.4	Confident	65.7	Low	6 Å²	6	97.8 Å²	97.8	4%	0.039	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	132.9	172.2	-25	37.8	0	0	0	110.7	P619 H620 T625 W626 F648 L722 A723	P619-P720 HydrophobicContact CB-CG 4.13Å; P619-P720 HydrophobicContact CG-CG 4.21Å; H620-P720 WeakPolarHBondContact NE2-CD 3.35Å; T625-P720 CarbonylContact O-C 3.56Å; T625-P720 VanDerWaalsContact O-CB 3.26Å; T625-P720 WeakPolarHBondContact O-CB 3.38Å; T625-P720 WeakPolarHBondContact OG1-CB 3.46Å; W626-P720 HydrophobicContact CB-CB 3.91Å; F648-P720 HydrophobicContact CE1-CB 4.46Å; F648-P720 HydrophobicContact CE1-CG 4.04Å; F648-P720 HydrophobicContact CZ-CG 4.19Å; P720-L722 PolarHBondContact O-N 2.91Å; P720-L722 VanDerWaalsContact O-N 3.07Å; P720-A723 HydrophobicContact CB-CB 4.04Å; P720-A723 HydrophobicContact CG-CB 4.38Å; P720-A723 WeakPolarHBondContact O-CB 3.43Å; P720-A723 PolarHBondContact O-N 3.38Å
721	V	80.9	Confident	65.3	Low	10 Å²	10	99.1 Å²	99.1	6%	0.061	49%	0.49	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-27.4	-171.2	77.8	0	0	0	0	115	T625 V628 M639 L640 K643 T647 F648 L649 Y719	T625-V721 PolarHBondContact O-N 3.47Å; V628-V721 HydrophobicContact CG1-CG1 3.94Å; M639-V721 HydrophobicContact CE-CG1 4.5Å; L640-V721 HydrophobicContact CD2-CB 4.33Å; L640-V721 HydrophobicContact CD2-CG2 3.75Å; K643-V721 HydrophobicContact CD-CG2 4.31Å; K643-V721 PolarHBondContact NZ-O 3.26Å; K643-V721 VanDerWaalsContact NZ-O 3.16Å; T647-V721 HydrophobicContact CG2-CB 4.42Å; T647-V721 HydrophobicContact CG2-CG2 4.42Å; F648-V721 WeakPolarHBondContact O-CB 3.01Å; F648-V721 PolarHBondContact O-N 3.05Å; L649-V721 HydrophobicContact CB-CB 3.99Å; L649-V721 HydrophobicContact CB-CG1 3.59Å; L649-V721 HydrophobicContact CD2-CB 4.29Å; L649-V721 HydrophobicContact CD2-CG1 4.07Å; L649-V721 HydrophobicContact CD2-CG2 4.12Å; L649-V721 HydrophobicContact CG-CG1 4.49Å; Y719-V721 PolarHBondContact O-N 3.27Å
722	L	74.9	Confident	65	Low	91 Å²	91	96.7 Å²	96.7	48%	0.476	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	2	-179.7	-56.1	172.3	0	0	0	112.9	C624 T625 V628 M639 P720 R724	C624-L722 VanDerWaalsContact O-CD1 3.28Å; C624-L722 WeakPolarHBondContact O-CD1 3.4Å; T625-L722 WeakPolarHBondContact O-CA 3.47Å; T625-L722 VanDerWaalsContact O-CB 3.32Å; T625-L722 WeakPolarHBondContact O-CB 3.36Å; T625-L722 PolarHBondContact O-N 3.18Å; V628-L722 HydrophobicContact CG1-CD1 4.2Å; M639-L722 HydrophobicContact CE-CD2 4.23Å; P720-L722 PolarHBondContact O-N 2.91Å; P720-L722 VanDerWaalsContact O-N 3.07Å; L722-R724 PolarHBondContact O-N 3.1Å
723	A	70.6	Confident	64.9	Low	26 Å²	26	94.2 Å²	94.2	22%	0.215	47%	0.466	C	S	.	.	S	Bend	trans	-64.8	128.8	168.5	0	0	0	0	0	108.6	P619 P720 S725	P619-A723 HydrophobicContact CB-CB 3.8Å; P619-A723 HydrophobicContact CG-CB 4.19Å; P720-A723 HydrophobicContact CB-CB 4.04Å; P720-A723 HydrophobicContact CG-CB 4.38Å; P720-A723 WeakPolarHBondContact O-CB 3.43Å; P720-A723 PolarHBondContact O-N 3.38Å; A723-S725 PolarHBondContact O-N 3.37Å
724	R	53.3	Low	64.4	Low	250 Å²	250	99.6 Å²	99.6	94%	0.943	49%	0.492	S	S	*	.			trans	-52.3	116.2	-178.2	-76.3	-177.9	172.7	178.7	-1.7	109.6	L722 Q726	L722-R724 PolarHBondContact O-N 3.1Å; R724-Q726 PolarHBondContact O-N 3Å
725	S	44	Very low	63.6	Low	95 Å²	95	98.3 Å²	98.3	66%	0.664	48%	0.482	S	S	*	.			trans	-56.6	106.7	176.3	-47	0	0	0	0	109.8	A723 N727	A723-S725 PolarHBondContact O-N 3.37Å; S725-N727 PolarHBondContact O-N 3.1Å
726	Q	39.3	Very low	62.6	Low	179 Å²	179	104.2 Å²	104.2	84%	0.836	51%	0.51	S	S	*	.			trans	-66.2	95.2	147.2	-77.8	-174.3	-0.8	0	0	105	R724 L728	R724-Q726 PolarHBondContact O-N 3Å; Q726-L728 VanDerWaalsContact C-N 3.32Å; Q726-L728 PolarHBondContact O-N 3.04Å
727	N	32.4	Very low	61	Low	146 Å²	146	108.2 Å²	108.2	78%	0.781	53%	0.528	S	S	*	.			trans	-57.9	102.8	164.2	-83.4	-81.2	0	0	0	106.4	S725 K729	S725-N727 PolarHBondContact O-N 3.1Å; N727-K729 PolarHBondContact O-N 3.41Å; N727-K729 VanDerWaalsContact O-N 3.13Å
728	L	35.1	Very low	59.1	Low	165 Å²	165	117.3 Å²	117.3	86%	0.864	57%	0.572	S	S	*	*			trans	-63.5	108.4	157.6	-89.8	104.3	0	0	0	106.9	Q726	Q726-L728 VanDerWaalsContact C-N 3.32Å; Q726-L728 PolarHBondContact O-N 3.04Å
729	K	30.1	Very low	57.3	Low	275 Å²	275	124.9 Å²	124.9	100%	1.196	60%	0.599	S	S	*	*			trans	-112.1	0	149.5	-95.4	-169.3	176.7	-178.1	0	108	N727	N727-K729 PolarHBondContact O-N 3.41Å; N727-K729 VanDerWaalsContact O-N 3.13Å

Retrieved 729 of 729 residues in 1009.1 ms (Link to these results)

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