A0A3Q0KU30_SCHMA Loading...

RING-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KU30, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 843 aa.

						>A0A3Q0KU30_SCHMA|A0A3Q0KU30
MRINSLFNNLLNITMVIIIIIIHHMKLFNTESWQTTLRLAKRHTQHYDIDILKTALDNYVYKMNNEKYHQRTIHLNNITNGYQNNLTSFHNELDDNNELILTNYSSDTNAITDDNQETNYKNYFLDQTIQNSKSTNLKSSSFKRVHTSSNSSFIWNILQFSFGLLCFIVHVTWFIWLICHTVLFKICQQTSSSQFLTVSHSRIRQMNESDLFVKHYQLTIHSELHLGFVGTIYGFIISMKQLSSPLIDPKSTTTLDQTNLIHRNYLLCYFTRHILLGLLTVYWITIFIIILINTHYIKSISLMNTSTIPFIHNVFVILYIGFIISWIFSIVLRISNLLINYNLQKFTMKHLTHSNLTPIKQILNFECILTKNFEYQKLYFYTICNQTTIEQWIEIVTNILSDILPNFLVFSISIFNCFLSFKLRNHSMKQIIKSLTCNNNTTHNSNNNSSNDTNNHNGNLMKLDNLSKELRCSPQIDKDSTIITELCNNTSTTTTTTSSSYLTYQCDLSVQHPRRQYQSEDHVHDKQTLQLNKIKKIYQIFYFSISLIILSLCLLINHFIRLIIYGNLMRSQMNYCDSWNFNQGLHESDNMELFQLVHEHLHIPHQYLQGCILMEIFITTFVPIICFTLRRCHNLFYLSCCRIHEPSDLKQILNKDICSGNYEISYDKSIKMDYINLSKLAVPIGSHISSTTIDDLGNQSTITASLSSTTQCCQSSTDTIIPPCELLKLQTFTRAQFKQKPQMLIDKESYLRPIYTNLPTCSNEMLEQNTTTTFVPVSIKLVNLQPLCCQPCDIFTGSTKILSKPDDTVIECEYLNNNCIYPIETTGSVVKLHVVSDSSGYGE
					

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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	47.2	Very low	51.7	Low	217 Å²	217	113.8 Å²	113.8	100%	1.069	57%	0.565	S	S	*	*				0	-51.7	0	-90	176.2	168.6	0	0	114.2	I3 N4 S5	M1-I3 PolarHBondContact O-N 3.05Å; M1-N4 PolarHBondContact O-N 3.33Å; M1-S5 PolarHBondContact O-N 3.22Å
2	R	42.4	Very low	52.1	Low	223 Å²	223	111.8 Å²	111.8	84%	0.842	56%	0.558	S	S	*	*	H	α-helix	trans	-61.3	-33.9	-176.1	-73.6	-177.6	178.2	172.1	-0.5	116.1	S5 L6	R2-S5 PolarHBondContact O-N 3.46Å; R2-L6 PolarHBondContact O-N 3.28Å; R2-L6 VanDerWaalsContact O-N 3.07Å
3	I	48.4	Very low	52.5	Low	83 Å²	83	110.6 Å²	110.6	43%	0.426	55%	0.553	S	S	.	*	H	α-helix	trans	-72.5	-39.4	-180	-63.7	171.4	0	0	0	112.2	M1 S5 L6 F7	M1-I3 PolarHBondContact O-N 3.05Å; I3-S5 VanDerWaalsContact C-N 3.28Å; I3-S5 PolarHBondContact O-N 2.85Å; I3-L6 PolarHBondContact O-N 3.42Å; I3-F7 PolarHBondContact O-N 2.88Å
4	N	48.1	Very low	52.2	Low	118 Å²	118	106.6 Å²	106.6	63%	0.631	54%	0.537	S	S	*	.	H	α-helix	trans	-64.9	-34.4	173.7	-76.4	3.1	0	0	0	111.5	M1 N8	M1-N4 PolarHBondContact O-N 3.33Å; N4-N8 VanDerWaalsContact O-CB 3.27Å; N4-N8 WeakPolarHBondContact O-CB 3.34Å; N4-N8 VanDerWaalsContact O-CG 3.27Å; N4-N8 PolarHBondContact O-N 3.34Å
5	S	57.8	Low	52.2	Low	61 Å²	61	106.5 Å²	106.5	43%	0.427	54%	0.536	S	S	.	.	H	α-helix	trans	-64.5	-43.3	172.7	165.5	0	0	0	0	111.7	M1 R2 I3 N8 N9	M1-S5 PolarHBondContact O-N 3.22Å; R2-S5 PolarHBondContact O-N 3.46Å; I3-S5 VanDerWaalsContact C-N 3.28Å; I3-S5 PolarHBondContact O-N 2.85Å; S5-N8 PolarHBondContact O-N 3.46Å; S5-N9 VanDerWaalsContact O-CB 3.22Å; S5-N9 WeakPolarHBondContact O-CB 3.5Å; S5-N9 PolarHBondContact O-N 2.97Å; S5-N9 PolarHBondContact O-ND2 3.36Å; S5-N9 PolarHBondContact O-OD1 3.37Å
6	L	49.8	Very low	52.1	Low	123 Å²	123	104.6 Å²	104.6	64%	0.644	53%	0.532	S	S	*	.	H	α-helix	trans	-63.8	-42.7	175.6	-107	151.2	0	0	0	112.4	R2 I3 N9 L10	R2-L6 PolarHBondContact O-N 3.28Å; R2-L6 VanDerWaalsContact O-N 3.07Å; I3-L6 PolarHBondContact O-N 3.42Å; L6-N9 PolarHBondContact O-N 3.09Å; L6-L10 WeakPolarHBondContact O-CB 3.5Å; L6-L10 PolarHBondContact O-N 3.38Å
7	F	50	Low	52.1	Low	88 Å²	88	102.8 Å²	102.8	39%	0.386	52%	0.523	S	S	.	.	H	α-helix	trans	-65.5	-44.9	176.8	-171.5	-96.5	0	0	0	111.8	I3 N9 L10 L11 I549	I3-F7 PolarHBondContact O-N 2.88Å; F7-N9 VanDerWaalsContact C-N 3.34Å; F7-N9 PolarHBondContact O-N 3.43Å; F7-L10 PolarHBondContact O-N 3.5Å; F7-L11 WeakPolarHBondContact O-CB 3.33Å; F7-L11 PolarHBondContact O-N 3.46Å; F7-I549 HydrophobicContact CE2-CD1 3.77Å; F7-I549 HydrophobicContact CZ-CD1 3.92Å
8	N	56.9	Low	51.8	Low	87 Å²	87	100.5 Å²	100.5	47%	0.465	51%	0.511	S	S	.	.	H	α-helix	trans	-65.8	-36.9	175.3	-75.5	-4.8	0	0	0	112	N4 S5 L11 N12	N4-N8 VanDerWaalsContact O-CB 3.27Å; N4-N8 WeakPolarHBondContact O-CB 3.34Å; N4-N8 VanDerWaalsContact O-CG 3.27Å; N4-N8 PolarHBondContact O-N 3.34Å; S5-N8 PolarHBondContact O-N 3.46Å; N8-L11 PolarHBondContact O-N 3.42Å; N8-N12 WeakPolarHBondContact O-CB 3.39Å; N8-N12 PolarHBondContact O-N 3.24Å; N8-N12 PolarHBondContact O-ND2 3.48Å
9	N	60.3	Low	51.9	Low	87 Å²	87	99.5 Å²	99.5	47%	0.465	51%	0.506	S	S	.	.	H	α-helix	trans	-65.7	-42.3	175.2	-75.4	-6	0	0	0	111	S5 L6 F7 N12 I13	S5-N9 VanDerWaalsContact O-CB 3.22Å; S5-N9 WeakPolarHBondContact O-CB 3.5Å; S5-N9 PolarHBondContact O-N 2.97Å; S5-N9 PolarHBondContact O-ND2 3.36Å; S5-N9 PolarHBondContact O-OD1 3.37Å; L6-N9 PolarHBondContact O-N 3.09Å; F7-N9 VanDerWaalsContact C-N 3.34Å; F7-N9 PolarHBondContact O-N 3.43Å; N9-N12 PolarHBondContact O-N 3.46Å; N9-I13 WeakPolarHBondContact O-CB 3.34Å; N9-I13 WeakPolarHBondContact O-CD1 3.49Å; N9-I13 WeakPolarHBondContact O-CG1 3.42Å; N9-I13 PolarHBondContact O-N 3.34Å
10	L	52.5	Low	51.9	Low	77 Å²	77	99.4 Å²	99.4	40%	0.403	51%	0.506	S	S	.	.	H	α-helix	trans	-66.1	-44	176.6	-163	79	0	0	0	111.1	L6 F7 N12 I13 T14	L6-L10 WeakPolarHBondContact O-CB 3.5Å; L6-L10 PolarHBondContact O-N 3.38Å; F7-L10 PolarHBondContact O-N 3.5Å; L10-N12 VanDerWaalsContact C-N 3.33Å; L10-N12 PolarHBondContact O-N 3.19Å; L10-I13 PolarHBondContact O-N 3.49Å; L10-T14 PolarHBondContact O-N 3.01Å; L10-T14 PolarHBondContact O-OG1 3.27Å; L10-T14 VanDerWaalsContact O-OG1 3.14Å
11	L	55.3	Low	51.7	Low	88 Å²	88	97.8 Å²	97.8	46%	0.461	50%	0.498	S	S	.	.	H	α-helix	trans	-58.7	-46.9	174.6	-162.9	90.8	0	0	0	110.3	F7 N8 I13 T14 M15	F7-L11 WeakPolarHBondContact O-CB 3.33Å; F7-L11 PolarHBondContact O-N 3.46Å; N8-L11 PolarHBondContact O-N 3.42Å; L11-I13 PolarHBondContact O-N 3.06Å; L11-T14 WeakPolarHBondContact CA-OG1 3.48Å; L11-T14 PolarHBondContact O-N 3.47Å; L11-T14 PolarHBondContact O-OG1 3.2Å; L11-M15 WeakPolarHBondContact O-CB 3.45Å; L11-M15 PolarHBondContact O-N 3.05Å
12	N	56.7	Low	51.6	Low	90 Å²	90	92.2 Å²	92.2	48%	0.481	47%	0.471	S	S	.	.	H	α-helix	trans	-62	-41.8	176.4	-76.3	-12.9	0	0	0	111.9	N8 N9 L10 M15 V16	N8-N12 WeakPolarHBondContact O-CB 3.39Å; N8-N12 PolarHBondContact O-N 3.24Å; N8-N12 PolarHBondContact O-ND2 3.48Å; N9-N12 PolarHBondContact O-N 3.46Å; L10-N12 VanDerWaalsContact C-N 3.33Å; L10-N12 PolarHBondContact O-N 3.19Å; N12-M15 PolarHBondContact O-N 3.47Å; N12-V16 VanDerWaalsContact O-CB 3.29Å; N12-V16 WeakPolarHBondContact O-CB 3.27Å; N12-V16 WeakPolarHBondContact O-CG2 3.43Å; N12-V16 PolarHBondContact O-N 3.05Å
13	I	56.5	Low	51.4	Low	96 Å²	96	87.2 Å²	87.2	49%	0.492	46%	0.457	S	S	.	.	H	α-helix	trans	-62.9	-46.9	175.7	-69.7	161.3	0	0	0	110	N9 L10 L11 M15 V16 I17	N9-I13 WeakPolarHBondContact O-CB 3.34Å; N9-I13 WeakPolarHBondContact O-CD1 3.49Å; N9-I13 WeakPolarHBondContact O-CG1 3.42Å; N9-I13 PolarHBondContact O-N 3.34Å; L10-I13 PolarHBondContact O-N 3.49Å; L11-I13 PolarHBondContact O-N 3.06Å; I13-M15 VanDerWaalsContact C-N 3.31Å; I13-M15 PolarHBondContact O-N 3.41Å; I13-V16 PolarHBondContact O-N 3.34Å; I13-I17 HydrophobicContact CG2-CD1 3.78Å; I13-I17 HydrophobicContact CG2-CG1 4.42Å; I13-I17 WeakPolarHBondContact O-CB 3.27Å; I13-I17 VanDerWaalsContact O-CG1 3.25Å; I13-I17 WeakPolarHBondContact O-CG1 3.4Å; I13-I17 PolarHBondContact O-N 3.05Å
14	T	49.4	Very low	51.1	Low	54 Å²	54	88.3 Å²	88.3	33%	0.331	46%	0.46	S	S	.	.	H	α-helix	trans	-62.6	-39.5	176.3	52.2	0	0	0	0	111.9	L10 L11 I17 I18	L10-T14 PolarHBondContact O-N 3.01Å; L10-T14 PolarHBondContact O-OG1 3.27Å; L10-T14 VanDerWaalsContact O-OG1 3.14Å; L11-T14 WeakPolarHBondContact CA-OG1 3.48Å; L11-T14 PolarHBondContact O-N 3.47Å; L11-T14 PolarHBondContact O-OG1 3.2Å; T14-I17 PolarHBondContact O-N 2.8Å; T14-I18 WeakPolarHBondContact O-CB 3.34Å; T14-I18 WeakPolarHBondContact O-CD1 3.2Å; T14-I18 WeakPolarHBondContact O-CG1 3.35Å; T14-I18 PolarHBondContact O-N 3.27Å
15	M	52.4	Low	50.8	Low	105 Å²	105	86.5 Å²	86.5	52%	0.517	45%	0.449	S	S	.	.	H	α-helix	trans	-67.3	-40.9	176.9	-130.6	-149.3	121.1	0	0	111.2	L11 N12 I13 I18 I19	L11-M15 WeakPolarHBondContact O-CB 3.45Å; L11-M15 PolarHBondContact O-N 3.05Å; N12-M15 PolarHBondContact O-N 3.47Å; I13-M15 VanDerWaalsContact C-N 3.31Å; I13-M15 PolarHBondContact O-N 3.41Å; M15-I18 CarbonylContact O-C 3.58Å; M15-I18 PolarHBondContact O-N 3.39Å; M15-I19 HydrophobicContact CE-CD1 3.64Å; M15-I19 HydrophobicContact CE-CG1 4.02Å; M15-I19 WeakPolarHBondContact O-CB 3.45Å; M15-I19 WeakPolarHBondContact O-CG1 3.21Å; M15-I19 PolarHBondContact O-N 2.91Å
16	V	50.2	Low	49.7	Very low	77 Å²	77	90.3 Å²	90.3	47%	0.467	46%	0.458	S	S	.	.	H	α-helix	trans	-65	-41.9	175.8	167.7	0	0	0	0	110.1	N12 I13 I19 I20	N12-V16 VanDerWaalsContact O-CB 3.29Å; N12-V16 WeakPolarHBondContact O-CB 3.27Å; N12-V16 WeakPolarHBondContact O-CG2 3.43Å; N12-V16 PolarHBondContact O-N 3.05Å; I13-V16 PolarHBondContact O-N 3.34Å; V16-I19 PolarHBondContact O-N 3.11Å; V16-I20 HydrophobicContact CG1-CD1 3.61Å; V16-I20 HydrophobicContact CG1-CG1 4.23Å; V16-I20 VanDerWaalsContact O-CB 3.32Å; V16-I20 WeakPolarHBondContact O-CB 3.18Å; V16-I20 WeakPolarHBondContact O-CD1 3.46Å; V16-I20 WeakPolarHBondContact O-CG1 3.4Å; V16-I20 PolarHBondContact O-N 2.79Å
17	I	51.5	Low	49	Very low	74 Å²	74	88.6 Å²	88.6	38%	0.379	45%	0.449	S	S	.	.	H	α-helix	trans	-62.3	-44.4	173.7	-68.1	165.9	0	0	0	110.2	I13 T14 I20 I21	I13-I17 HydrophobicContact CG2-CD1 3.78Å; I13-I17 HydrophobicContact CG2-CG1 4.42Å; I13-I17 WeakPolarHBondContact O-CB 3.27Å; I13-I17 VanDerWaalsContact O-CG1 3.25Å; I13-I17 WeakPolarHBondContact O-CG1 3.4Å; I13-I17 PolarHBondContact O-N 3.05Å; T14-I17 PolarHBondContact O-N 2.8Å; I17-I20 PolarHBondContact O-N 3.16Å; I17-I21 HydrophobicContact CG2-CD1 3.72Å; I17-I21 HydrophobicContact CG2-CG1 4.4Å; I17-I21 WeakPolarHBondContact O-CB 3.38Å; I17-I21 WeakPolarHBondContact O-CD1 3.34Å; I17-I21 WeakPolarHBondContact O-CG1 3.02Å; I17-I21 PolarHBondContact O-N 3.19Å
18	I	46.8	Very low	48.2	Very low	61 Å²	61	91 Å²	91	31%	0.313	46%	0.46	S	S	.	.	H	α-helix	trans	-63.6	-43.5	176.4	-69.4	163.7	0	0	0	111.1	T14 M15 I21 I22 I556	T14-I18 WeakPolarHBondContact O-CB 3.34Å; T14-I18 WeakPolarHBondContact O-CD1 3.2Å; T14-I18 WeakPolarHBondContact O-CG1 3.35Å; T14-I18 PolarHBondContact O-N 3.27Å; M15-I18 CarbonylContact O-C 3.58Å; M15-I18 PolarHBondContact O-N 3.39Å; I18-I21 PolarHBondContact O-N 3.09Å; I18-I22 HydrophobicContact CG2-CD1 3.65Å; I18-I22 HydrophobicContact CG2-CG1 4.31Å; I18-I22 WeakPolarHBondContact O-CB 3.49Å; I18-I22 VanDerWaalsContact O-CG1 3.23Å; I18-I22 WeakPolarHBondContact O-CG1 3.25Å; I18-I22 PolarHBondContact O-N 2.95Å; I18-I556 HydrophobicContact CD1-CD1 4.38Å
19	I	54.4	Low	47.3	Very low	82 Å²	82	92.7 Å²	92.7	42%	0.421	47%	0.468	S	S	.	.	H	α-helix	trans	-63.5	-45.1	175.6	-69.7	166.1	0	0	0	109.5	M15 V16 I21 I22 H23	M15-I19 HydrophobicContact CE-CD1 3.64Å; M15-I19 HydrophobicContact CE-CG1 4.02Å; M15-I19 WeakPolarHBondContact O-CB 3.45Å; M15-I19 WeakPolarHBondContact O-CG1 3.21Å; M15-I19 PolarHBondContact O-N 2.91Å; V16-I19 PolarHBondContact O-N 3.11Å; I19-I21 VanDerWaalsContact C-N 3.32Å; I19-I21 PolarHBondContact O-N 2.95Å; I19-I22 CarbonylContact O-C 3.59Å; I19-I22 PolarHBondContact O-N 3.19Å; I19-H23 WeakPolarHBondContact O-CA 3.23Å; I19-H23 WeakPolarHBondContact O-CB 3.48Å; I19-H23 PolarHBondContact O-N 2.9Å
20	I	52	Low	46.1	Very low	96 Å²	96	93.6 Å²	93.6	49%	0.492	48%	0.477	S	S	.	.	H	α-helix	trans	-60.1	-45.8	177.3	-71.5	165.4	0	0	0	109.3	V16 I17 H23 H24	V16-I20 HydrophobicContact CG1-CD1 3.61Å; V16-I20 HydrophobicContact CG1-CG1 4.23Å; V16-I20 VanDerWaalsContact O-CB 3.32Å; V16-I20 WeakPolarHBondContact O-CB 3.18Å; V16-I20 WeakPolarHBondContact O-CD1 3.46Å; V16-I20 WeakPolarHBondContact O-CG1 3.4Å; V16-I20 PolarHBondContact O-N 2.79Å; I17-I20 PolarHBondContact O-N 3.16Å; I20-H23 PolarHBondContact O-N 3.44Å; I20-H24 VanDerWaalsContact O-CB 3.25Å; I20-H24 WeakPolarHBondContact O-CB 3.36Å; I20-H24 PolarHBondContact O-N 3.04Å
21	I	46.6	Very low	45.3	Very low	67 Å²	67	93.5 Å²	93.5	34%	0.344	48%	0.475	S	S	.	.	H	α-helix	trans	-61.2	-49.3	176.4	-68.4	164.3	0	0	0	110.3	I17 I18 I19 H23 H24 M25 I560	I17-I21 HydrophobicContact CG2-CD1 3.72Å; I17-I21 HydrophobicContact CG2-CG1 4.4Å; I17-I21 WeakPolarHBondContact O-CB 3.38Å; I17-I21 WeakPolarHBondContact O-CD1 3.34Å; I17-I21 WeakPolarHBondContact O-CG1 3.02Å; I17-I21 PolarHBondContact O-N 3.19Å; I18-I21 PolarHBondContact O-N 3.09Å; I19-I21 VanDerWaalsContact C-N 3.32Å; I19-I21 PolarHBondContact O-N 2.95Å; I21-H23 VanDerWaalsContact C-N 3.31Å; I21-H23 PolarHBondContact O-N 3.41Å; I21-H24 PolarHBondContact O-N 3.39Å; I21-M25 HydrophobicContact CG2-CG 4.27Å; I21-M25 VanDerWaalsContact O-CB 3.29Å; I21-M25 WeakPolarHBondContact O-CB 3.38Å; I21-M25 WeakPolarHBondContact O-CG 3.23Å; I21-M25 PolarHBondContact O-N 2.83Å; I21-I560 HydrophobicContact CG2-CD1 4.44Å
22	I	44.8	Very low	44.7	Very low	100 Å²	100	92.1 Å²	92.1	51%	0.513	47%	0.472	S	S	.	.	H	α-helix	trans	-62.9	-39.5	178.2	-68.7	169	0	0	0	110.8	I18 I19 M25 K26	I18-I22 HydrophobicContact CG2-CD1 3.65Å; I18-I22 HydrophobicContact CG2-CG1 4.31Å; I18-I22 WeakPolarHBondContact O-CB 3.49Å; I18-I22 VanDerWaalsContact O-CG1 3.23Å; I18-I22 WeakPolarHBondContact O-CG1 3.25Å; I18-I22 PolarHBondContact O-N 2.95Å; I19-I22 CarbonylContact O-C 3.59Å; I19-I22 PolarHBondContact O-N 3.19Å; I22-M25 CarbonylContact O-C 3.59Å; I22-M25 PolarHBondContact O-N 3.19Å; I22-K26 WeakPolarHBondContact O-CB 3.32Å; I22-K26 PolarHBondContact O-N 3.4Å
23	H	38.9	Very low	44.2	Very low	117 Å²	117	94.2 Å²	94.2	54%	0.542	47%	0.474	S	S	.	.	H	α-helix	trans	-71.2	-39.9	-179.1	-156.5	76.1	0	0	0	110.8	I19 I20 I21 K26 L27	I19-H23 WeakPolarHBondContact O-CA 3.23Å; I19-H23 WeakPolarHBondContact O-CB 3.48Å; I19-H23 PolarHBondContact O-N 2.9Å; I20-H23 PolarHBondContact O-N 3.44Å; I21-H23 VanDerWaalsContact C-N 3.31Å; I21-H23 PolarHBondContact O-N 3.41Å; H23-K26 PolarHBondContact O-N 3.17Å; H23-L27 WeakPolarHBondContact O-CB 3.15Å; H23-L27 PolarHBondContact O-N 3.46Å
24	H	42.2	Very low	43.5	Very low	106 Å²	106	94.9 Å²	94.9	49%	0.491	48%	0.475	S	S	.	.	H	α-helix	trans	-63.7	-43	171.8	-138.6	-80	0	0	0	110.4	I20 I21 L27 F28	I20-H24 VanDerWaalsContact O-CB 3.25Å; I20-H24 WeakPolarHBondContact O-CB 3.36Å; I20-H24 PolarHBondContact O-N 3.04Å; I21-H24 PolarHBondContact O-N 3.39Å; H24-L27 PolarHBondContact O-N 3.29Å; H24-F28 AromaticContact CE1-CE2 3.71Å; H24-F28 AromaticContact ND1-CD2 3.81Å; H24-F28 AromaticContact ND1-CE2 3.71Å; H24-F28 WeakPolarHBondContact O-CD2 3.42Å; H24-F28 PolarHBondContact O-N 2.84Å; H24-F28 VanDerWaalsContact O-N 3.13Å
25	M	41.8	Very low	43.1	Very low	81 Å²	81	94.5 Å²	94.5	40%	0.399	47%	0.472	S	S	.	.	H	α-helix	trans	-67.2	-36	176.1	-68.8	-69.4	-68.8	0	0	112.3	I21 I22 F28 N29	I21-M25 HydrophobicContact CG2-CG 4.27Å; I21-M25 VanDerWaalsContact O-CB 3.29Å; I21-M25 WeakPolarHBondContact O-CB 3.38Å; I21-M25 WeakPolarHBondContact O-CG 3.23Å; I21-M25 PolarHBondContact O-N 2.83Å; I22-M25 CarbonylContact O-C 3.59Å; I22-M25 PolarHBondContact O-N 3.19Å; M25-F28 PolarHBondContact O-N 2.95Å; M25-N29 VanDerWaalsContact O-CB 3.32Å; M25-N29 WeakPolarHBondContact O-CB 3.44Å; M25-N29 PolarHBondContact O-N 3.49Å
26	K	34.5	Very low	42.6	Very low	140 Å²	140	93.4 Å²	93.4	61%	0.609	47%	0.472	S	S	*	.	H	α-helix	trans	-74.1	-35.9	177.9	-159.1	176.7	-174.4	-176.3	0	111.3	I22 H23 F28 N29 T30	I22-K26 WeakPolarHBondContact O-CB 3.32Å; I22-K26 PolarHBondContact O-N 3.4Å; H23-K26 PolarHBondContact O-N 3.17Å; K26-F28 VanDerWaalsContact C-N 3.28Å; K26-F28 PolarHBondContact O-N 3.42Å; K26-N29 PolarHBondContact O-N 3.17Å; K26-T30 PolarHBondContact O-N 2.9Å; K26-T30 PolarHBondContact O-OG1 3.39Å
27	L	35	Very low	42.2	Very low	88 Å²	88	91.5 Å²	91.5	46%	0.461	46%	0.459	S	S	.	.	H	α-helix	trans	-58.8	-42.6	170.1	-117.5	92.7	0	0	0	110.8	H23 H24	H23-L27 WeakPolarHBondContact O-CB 3.15Å; H23-L27 PolarHBondContact O-N 3.46Å; H24-L27 PolarHBondContact O-N 3.29Å
28	F	34.8	Very low	41.9	Very low	139 Å²	139	96.9 Å²	96.9	61%	0.61	47%	0.474	S	S	*	.	H	α-helix	trans	-80.7	-26.6	-178.9	-86.5	-83.5	0	0	0	114.6	H24 M25 K26	H24-F28 AromaticContact CE1-CE2 3.71Å; H24-F28 AromaticContact ND1-CD2 3.81Å; H24-F28 AromaticContact ND1-CE2 3.71Å; H24-F28 WeakPolarHBondContact O-CD2 3.42Å; H24-F28 PolarHBondContact O-N 2.84Å; H24-F28 VanDerWaalsContact O-N 3.13Å; M25-F28 PolarHBondContact O-N 2.95Å; K26-F28 VanDerWaalsContact C-N 3.28Å; K26-F28 PolarHBondContact O-N 3.42Å
29	N	37.5	Very low	41.7	Very low	121 Å²	121	97.4 Å²	97.4	65%	0.647	48%	0.477	S	S	*	.	H	α-helix	trans	-82.9	-9.5	-179.6	-87.5	-8.2	0	0	0	114.9	M25 K26	M25-N29 VanDerWaalsContact O-CB 3.32Å; M25-N29 WeakPolarHBondContact O-CB 3.44Å; M25-N29 PolarHBondContact O-N 3.49Å; K26-N29 PolarHBondContact O-N 3.17Å
30	T	34.8	Very low	41.1	Very low	106 Å²	106	95.3 Å²	95.3	65%	0.65	47%	0.472	S	S	*	.	H	α-helix	trans	-120.4	-2.3	-178.4	56.1	0	0	0	0	115.4	K26 S32	K26-T30 PolarHBondContact O-N 2.9Å; K26-T30 PolarHBondContact O-OG1 3.39Å; T30-S32 PolarHBondContact O-N 3.44Å
31	E	34.8	Very low	40.5	Very low	76 Å²	76	95.6 Å²	95.6	36%	0.355	47%	0.47	S	S	.	.			trans	-87.1	97.1	171.5	-70.1	-163.1	179.8	0	0	109.8	T35	E31-T35 HydrophobicContact CG-CG2 4.27Å
32	S	43.8	Very low	40.4	Very low	58 Å²	58	102.3 Å²	102.3	41%	0.406	49%	0.491	S	S	.	.			trans	-48.2	145.3	158.7	63.5	0	0	0	0	109.1	T30 Q34 T35	T30-S32 PolarHBondContact O-N 3.44Å; S32-Q34 PolarHBondContact O-N 3.33Å; S32-T35 WeakPolarHBondContact O-CB 3.31Å; S32-T35 PolarHBondContact O-N 2.89Å; S32-T35 PolarHBondContact O-OG1 3.27Å; S32-T35 PolarHBondContact OG-OG1 2.91Å; S32-T35 VanDerWaalsContact OG-OG1 3.1Å
33	W	46.7	Very low	40.2	Very low	134 Å²	134	105 Å²	105	51%	0.508	50%	0.501	S	S	.	.	H	α-helix	trans	-48.2	-27.6	176.5	64.7	-93.6	0	0	0	113.2	T35 T36 L37 L56	W33-T35 VanDerWaalsContact C-N 3.3Å; W33-T35 PolarHBondContact O-N 3.27Å; W33-T36 PolarHBondContact O-N 3.29Å; W33-L37 HydrophobicContact CE3-CD1 4.06Å; W33-L37 HydrophobicContact CZ3-CD1 4.18Å; W33-L37 WeakPolarHBondContact O-CB 3.2Å; W33-L37 PolarHBondContact O-N 3.09Å; W33-L56 HydrophobicContact CD2-CD2 4.42Å; W33-L56 HydrophobicContact CE3-CD2 3.6Å; W33-L56 HydrophobicContact CH2-CD2 4.13Å; W33-L56 HydrophobicContact CZ3-CD2 3.43Å; W33-L56 VanDerWaalsContact CZ3-CD2 3.43Å
34	Q	41.4	Very low	40	Very low	111 Å²	111	102.6 Å²	102.6	52%	0.519	49%	0.494	S	S	.	.	H	α-helix	trans	-60.3	-33.9	173.9	-61.3	-178.7	-21.6	0	0	113.5	S32 R38	S32-Q34 PolarHBondContact O-N 3.33Å; Q34-R38 PolarHBondContact O-N 3.35Å
35	T	40.8	Very low	39.8	Very low	45 Å²	45	105.4 Å²	105.4	28%	0.276	51%	0.508	S	S	.	.	H	α-helix	trans	-75.4	-42.8	177.3	-21.7	0	0	0	0	110.9	E31 S32 W33 L37 R38 L39	E31-T35 HydrophobicContact CG-CG2 4.27Å; S32-T35 WeakPolarHBondContact O-CB 3.31Å; S32-T35 PolarHBondContact O-N 2.89Å; S32-T35 PolarHBondContact O-OG1 3.27Å; S32-T35 PolarHBondContact OG-OG1 2.91Å; S32-T35 VanDerWaalsContact OG-OG1 3.1Å; W33-T35 VanDerWaalsContact C-N 3.3Å; W33-T35 PolarHBondContact O-N 3.27Å; T35-L37 VanDerWaalsContact C-N 3.27Å; T35-L37 PolarHBondContact O-N 3.06Å; T35-R38 WeakPolarHBondContact O-CB 3.15Å; T35-R38 PolarHBondContact O-N 3.17Å; T35-R38 VanDerWaalsContact O-N 3.1Å; T35-L39 PolarHBondContact O-N 2.86Å
36	T	42.3	Very low	39.7	Very low	82 Å²	82	107.5 Å²	107.5	50%	0.503	52%	0.516	S	S	.	.	H	α-helix	trans	-59.7	-40.3	172.3	-44.4	0	0	0	0	110.8	W33 L39 A40	W33-T36 PolarHBondContact O-N 3.29Å; T36-L39 PolarHBondContact O-N 3.46Å; T36-A40 WeakPolarHBondContact O-CB 3.28Å; T36-A40 PolarHBondContact O-N 3.23Å
37	L	41.8	Very low	40	Very low	38 Å²	38	110.1 Å²	110.1	20%	0.199	52%	0.524	C	S	.	.	H	α-helix	trans	-65.6	-37.7	174.2	-135.1	111	0	0	0	112.2	W33 T35 K41 L52 L56	W33-L37 HydrophobicContact CE3-CD1 4.06Å; W33-L37 HydrophobicContact CZ3-CD1 4.18Å; W33-L37 WeakPolarHBondContact O-CB 3.2Å; W33-L37 PolarHBondContact O-N 3.09Å; T35-L37 VanDerWaalsContact C-N 3.27Å; T35-L37 PolarHBondContact O-N 3.06Å; L37-K41 WeakPolarHBondContact O-CB 3.5Å; L37-K41 PolarHBondContact O-N 2.71Å; L37-L52 HydrophobicContact CD1-CD2 4.35Å; L37-L56 HydrophobicContact CD1-CD2 4Å
38	R	43.4	Very low	40.3	Very low	187 Å²	187	110.7 Å²	110.7	71%	0.706	53%	0.528	S	S	*	.	H	α-helix	trans	-66.8	-37	173	-83.7	-178.3	-177.8	155.8	2.1	112.9	Q34 T35 K41 R42	Q34-R38 PolarHBondContact O-N 3.35Å; T35-R38 WeakPolarHBondContact O-CB 3.15Å; T35-R38 PolarHBondContact O-N 3.17Å; T35-R38 VanDerWaalsContact O-N 3.1Å; R38-K41 WeakPolarHBondContact O-CB 3.48Å; R38-K41 PolarHBondContact O-N 3.34Å; R38-R42 PolarHBondContact O-N 3.03Å
39	L	44.4	Very low	40.7	Very low	71 Å²	71	104.5 Å²	104.5	37%	0.372	50%	0.501	S	S	.	.	H	α-helix	trans	-68.4	-43.3	175	-90.3	158.4	0	0	0	111.2	T35 T36 K41 R42	T35-L39 PolarHBondContact O-N 2.86Å; T36-L39 PolarHBondContact O-N 3.46Å; L39-K41 VanDerWaalsContact C-N 3.25Å; L39-K41 PolarHBondContact O-N 3.32Å; L39-R42 WeakPolarHBondContact O-CB 3.49Å; L39-R42 PolarHBondContact O-N 2.92Å
40	A	40.4	Very low	40.9	Very low	39 Å²	39	102.8 Å²	102.8	32%	0.322	49%	0.491	S	S	.	.	H	α-helix	trans	-57.3	-41.5	170.7	0	0	0	0	0	110.8	T36 R42 H43 T44	T36-A40 WeakPolarHBondContact O-CB 3.28Å; T36-A40 PolarHBondContact O-N 3.23Å; A40-R42 PolarHBondContact O-N 3.48Å; A40-R42 VanDerWaalsContact O-N 3.11Å; A40-H43 PolarHBondContact O-N 2.91Å; A40-T44 PolarHBondContact O-N 2.9Å; A40-T44 VanDerWaalsContact O-N 3.08Å; A40-T44 PolarHBondContact O-OG1 2.99Å
41	K	39.3	Very low	41.6	Very low	101 Å²	101	102.8 Å²	102.8	44%	0.439	49%	0.487	S	S	.	.	H	α-helix	trans	-58.1	-24.2	175.4	-166	168.3	-172.9	172.4	0	114.8	L37 R38 L39 I49	L37-K41 WeakPolarHBondContact O-CB 3.5Å; L37-K41 PolarHBondContact O-N 2.71Å; R38-K41 WeakPolarHBondContact O-CB 3.48Å; R38-K41 PolarHBondContact O-N 3.34Å; L39-K41 VanDerWaalsContact C-N 3.25Å; L39-K41 PolarHBondContact O-N 3.32Å; K41-I49 HydrophobicContact CB-CD1 4.22Å; K41-I49 HydrophobicContact CB-CG1 4.44Å; K41-I49 HydrophobicContact CB-CG2 4.22Å; K41-I49 HydrophobicContact CD-CG2 4.26Å; K41-I49 HydrophobicContact CG-CD1 4.08Å; K41-I49 HydrophobicContact CG-CG2 4.14Å
42	R	45.6	Very low	42.1	Very low	209 Å²	209	103.2 Å²	103.2	79%	0.789	49%	0.491	S	S	*	.	H	α-helix	trans	-81.3	-23.9	174.3	-90.9	-174.2	-176.1	163.4	2	113.9	R38 L39 A40	R38-R42 PolarHBondContact O-N 3.03Å; L39-R42 WeakPolarHBondContact O-CB 3.49Å; L39-R42 PolarHBondContact O-N 2.92Å; A40-R42 PolarHBondContact O-N 3.48Å; A40-R42 VanDerWaalsContact O-N 3.11Å
43	H	39.6	Very low	42.3	Very low	157 Å²	157	105.5 Å²	105.5	73%	0.727	49%	0.493	S	S	*	.	H	α-helix	trans	-113.2	-9.2	-168.8	-70.6	-49.7	0	0	0	114.7	A40	A40-H43 PolarHBondContact O-N 2.91Å
44	T	36	Very low	42.4	Very low	65 Å²	65	102.9 Å²	102.9	40%	0.399	49%	0.492	S	S	.	.	S	Bend	trans	-119.2	151.1	176.6	50	0	0	0	0	112.5	A40 I49	A40-T44 PolarHBondContact O-N 2.9Å; A40-T44 VanDerWaalsContact O-N 3.08Å; A40-T44 PolarHBondContact O-OG1 2.99Å; T44-I49 VanDerWaalsContact O-CD1 3.32Å; T44-I49 WeakPolarHBondContact O-CD1 3.44Å; T44-I49 VanDerWaalsContact OG1-CD1 3.22Å; T44-I49 WeakPolarHBondContact OG1-CD1 3.4Å; T44-I49 WeakPolarHBondContact OG1-CG1 3.26Å
45	Q	37.1	Very low	42.6	Very low	165 Å²	165	100.1 Å²	100.1	77%	0.771	49%	0.489	S	S	*	.			trans	-59.9	139.1	177.1	-69.2	-179.7	-15.7	0	0	109.5	Y47 D48	Q45-Y47 PolarHBondContact O-N 2.96Å; Q45-D48 PolarHBondContact O-N 3.33Å
46	H	39.8	Very low	42.8	Very low	125 Å²	125	100.6 Å²	100.6	58%	0.579	49%	0.489	S	S	*	.	H	α-helix	trans	-49	-29.8	-168.7	-100	37.2	0	0	0	115.2	D50	H46-D50 PolarHBondContact O-N 3Å
47	Y	41.1	Very low	43	Very low	195 Å²	195	100.5 Å²	100.5	77%	0.765	49%	0.485	S	S	*	.	H	α-helix	trans	-65.9	-39.4	-176.9	-115.5	-90.2	0	0	0	114.1	Q45 I49 I51	Q45-Y47 PolarHBondContact O-N 2.96Å; Y47-I49 VanDerWaalsContact C-N 3.33Å; Y47-I49 PolarHBondContact O-N 2.86Å; Y47-I51 WeakPolarHBondContact O-CG1 3.49Å; Y47-I51 PolarHBondContact O-N 3.04Å
48	D	40.5	Very low	43.1	Very low	101 Å²	101	103.6 Å²	103.6	54%	0.54	50%	0.502	S	S	.	.	H	α-helix	trans	-73.5	-28.2	-176.2	-67	-29.7	0	0	0	112.2	Q45 L52	Q45-D48 PolarHBondContact O-N 3.33Å; D48-L52 WeakPolarHBondContact O-CB 3.33Å; D48-L52 PolarHBondContact O-N 2.81Å; D48-L52 VanDerWaalsContact O-N 3.12Å
49	I	43.5	Very low	43.1	Very low	9 Å²	9	101.1 Å²	101.1	5%	0.046	49%	0.494	C	S	.	.	H	α-helix	trans	-74.9	-37.2	179	-63.8	131.4	0	0	0	111.3	K41 T44 Y47 L52 K53	K41-I49 HydrophobicContact CB-CD1 4.22Å; K41-I49 HydrophobicContact CB-CG1 4.44Å; K41-I49 HydrophobicContact CB-CG2 4.22Å; K41-I49 HydrophobicContact CD-CG2 4.26Å; K41-I49 HydrophobicContact CG-CD1 4.08Å; K41-I49 HydrophobicContact CG-CG2 4.14Å; T44-I49 VanDerWaalsContact O-CD1 3.32Å; T44-I49 WeakPolarHBondContact O-CD1 3.44Å; T44-I49 VanDerWaalsContact OG1-CD1 3.22Å; T44-I49 WeakPolarHBondContact OG1-CD1 3.4Å; T44-I49 WeakPolarHBondContact OG1-CG1 3.26Å; Y47-I49 VanDerWaalsContact C-N 3.33Å; Y47-I49 PolarHBondContact O-N 2.86Å; I49-L52 PolarHBondContact O-N 2.78Å; I49-K53 VanDerWaalsContact O-CB 3.23Å; I49-K53 WeakPolarHBondContact O-CB 3.29Å; I49-K53 PolarHBondContact O-N 3.12Å
50	D	42.9	Very low	43	Very low	84 Å²	84	100.8 Å²	100.8	45%	0.449	49%	0.494	S	S	.	.	H	α-helix	trans	-70.4	-36.4	178.9	-74.2	-22.7	0	0	0	111.2	H46 K53 T54	H46-D50 PolarHBondContact O-N 3Å; D50-K53 PolarHBondContact O-N 3.42Å; D50-T54 WeakPolarHBondContact O-CB 3.19Å; D50-T54 PolarHBondContact O-N 3.3Å; D50-T54 PolarHBondContact O-OG1 3.48Å
51	I	47.4	Very low	43.1	Very low	107 Å²	107	106.4 Å²	106.4	55%	0.549	51%	0.508	S	S	.	.	H	α-helix	trans	-63.1	-48.1	172	-64.3	169.2	0	0	0	110.3	Y47 K53 T54 A55	Y47-I51 WeakPolarHBondContact O-CG1 3.49Å; Y47-I51 PolarHBondContact O-N 3.04Å; I51-K53 PolarHBondContact O-N 3.4Å; I51-T54 PolarHBondContact O-N 3.43Å; I51-A55 WeakPolarHBondContact O-CB 3.47Å; I51-A55 PolarHBondContact O-N 3.35Å
52	L	45.8	Very low	43.4	Very low	85 Å²	85	106.4 Å²	106.4	45%	0.445	51%	0.508	S	S	.	.	H	α-helix	trans	-64.1	-40.4	179	-173.1	67.6	0	0	0	112	L37 D48 I49 A55 L56	L37-L52 HydrophobicContact CD1-CD2 4.35Å; D48-L52 WeakPolarHBondContact O-CB 3.33Å; D48-L52 PolarHBondContact O-N 2.81Å; D48-L52 VanDerWaalsContact O-N 3.12Å; I49-L52 PolarHBondContact O-N 2.78Å; L52-A55 PolarHBondContact O-N 3.01Å; L52-L56 HydrophobicContact CD1-CD1 4.35Å; L52-L56 WeakPolarHBondContact O-CB 3.48Å; L52-L56 PolarHBondContact O-N 3.03Å
53	K	48.5	Very low	43.1	Very low	106 Å²	106	101.5 Å²	101.5	46%	0.461	50%	0.496	S	S	.	.	H	α-helix	trans	-62.8	-45.5	175.1	-175.9	-173.3	172	-162	0	110.9	I49 D50 I51 L56 D57	I49-K53 VanDerWaalsContact O-CB 3.23Å; I49-K53 WeakPolarHBondContact O-CB 3.29Å; I49-K53 PolarHBondContact O-N 3.12Å; D50-K53 PolarHBondContact O-N 3.42Å; I51-K53 PolarHBondContact O-N 3.4Å; K53-L56 PolarHBondContact O-N 3.34Å; K53-D57 WeakPolarHBondContact CE-OD2 3.48Å; K53-D57 WeakPolarHBondContact O-CB 3.09Å; K53-D57 PolarHBondContact O-N 3Å
54	T	48.9	Very low	42.9	Very low	78 Å²	78	98.6 Å²	98.6	48%	0.479	49%	0.486	S	S	.	.	H	α-helix	trans	-64.3	-41.2	179	-52.1	0	0	0	0	111.2	D50 I51 D57 N58	D50-T54 WeakPolarHBondContact O-CB 3.19Å; D50-T54 PolarHBondContact O-N 3.3Å; D50-T54 PolarHBondContact O-OG1 3.48Å; I51-T54 PolarHBondContact O-N 3.43Å; T54-D57 PolarHBondContact O-N 2.85Å; T54-N58 WeakPolarHBondContact O-CB 3.39Å; T54-N58 VanDerWaalsContact O-CG 3.23Å; T54-N58 PolarHBondContact O-N 2.89Å; T54-N58 PolarHBondContact O-ND2 2.89Å
55	A	45.4	Very low	42.9	Very low	54 Å²	54	99.1 Å²	99.1	45%	0.446	49%	0.486	S	S	.	.	H	α-helix	trans	-62.5	-41.7	174.2	0	0	0	0	0	111.9	I51 L52 Y59	I51-A55 WeakPolarHBondContact O-CB 3.47Å; I51-A55 PolarHBondContact O-N 3.35Å; L52-A55 PolarHBondContact O-N 3.01Å; A55-Y59 WeakPolarHBondContact O-CB 3.46Å; A55-Y59 PolarHBondContact O-N 3.39Å
56	L	44.3	Very low	42.9	Very low	54 Å²	54	96.3 Å²	96.3	28%	0.283	47%	0.473	S	S	.	.	H	α-helix	trans	-68.9	-42.7	176.4	-113.3	80.5	0	0	0	112.9	W33 L37 L52 K53 N58 Y59 V60	W33-L56 HydrophobicContact CD2-CD2 4.42Å; W33-L56 HydrophobicContact CE3-CD2 3.6Å; W33-L56 HydrophobicContact CH2-CD2 4.13Å; W33-L56 HydrophobicContact CZ3-CD2 3.43Å; W33-L56 VanDerWaalsContact CZ3-CD2 3.43Å; L37-L56 HydrophobicContact CD1-CD2 4Å; L52-L56 HydrophobicContact CD1-CD1 4.35Å; L52-L56 WeakPolarHBondContact O-CB 3.48Å; L52-L56 PolarHBondContact O-N 3.03Å; K53-L56 PolarHBondContact O-N 3.34Å; L56-N58 VanDerWaalsContact C-N 3.28Å; L56-N58 PolarHBondContact O-N 3.26Å; L56-Y59 WeakPolarHBondContact O-CB 3.38Å; L56-Y59 PolarHBondContact O-N 3.13Å; L56-Y59 VanDerWaalsContact O-N 3.14Å; L56-V60 WeakPolarHBondContact O-CG2 3.27Å; L56-V60 PolarHBondContact O-N 3Å
57	D	47.2	Very low	42.8	Very low	80 Å²	80	97.6 Å²	97.6	43%	0.428	48%	0.477	S	S	.	.	H	α-helix	trans	-62.8	-39.4	177.1	-74.2	-21.2	0	0	0	110	K53 T54 V60 Y61	K53-D57 WeakPolarHBondContact CE-OD2 3.48Å; K53-D57 WeakPolarHBondContact O-CB 3.09Å; K53-D57 PolarHBondContact O-N 3Å; T54-D57 PolarHBondContact O-N 2.85Å; D57-V60 PolarHBondContact O-N 3.45Å; D57-Y61 WeakPolarHBondContact O-CB 3.48Å; D57-Y61 PolarHBondContact O-N 3.33Å
58	N	44.9	Very low	42.3	Very low	104 Å²	104	96.9 Å²	96.9	56%	0.556	47%	0.474	S	S	*	.	H	α-helix	trans	-63.9	-39.9	171.6	-76.1	-14.4	0	0	0	112.4	T54 L56 Y61 K62	T54-N58 WeakPolarHBondContact O-CB 3.39Å; T54-N58 VanDerWaalsContact O-CG 3.23Å; T54-N58 PolarHBondContact O-N 2.89Å; T54-N58 PolarHBondContact O-ND2 2.89Å; L56-N58 VanDerWaalsContact C-N 3.28Å; L56-N58 PolarHBondContact O-N 3.26Å; N58-Y61 PolarHBondContact O-N 3.04Å; N58-K62 WeakPolarHBondContact O-CB 3.4Å; N58-K62 PolarHBondContact O-N 2.86Å
59	Y	42	Very low	42	Very low	135 Å²	135	98 Å²	98	53%	0.529	48%	0.476	S	S	.	.	H	α-helix	trans	-65.5	-44.1	176	-173.9	-94.5	0	0	0	111.7	A55 L56 Y61 K62 M63	A55-Y59 WeakPolarHBondContact O-CB 3.46Å; A55-Y59 PolarHBondContact O-N 3.39Å; L56-Y59 WeakPolarHBondContact O-CB 3.38Å; L56-Y59 PolarHBondContact O-N 3.13Å; L56-Y59 VanDerWaalsContact O-N 3.14Å; Y59-Y61 VanDerWaalsContact C-N 3.32Å; Y59-Y61 PolarHBondContact O-N 3.43Å; Y59-K62 PolarHBondContact O-N 3.42Å; Y59-M63 HydrophobicContact CE1-SD 4.35Å; Y59-M63 WeakPolarHBondContact O-CB 3.45Å; Y59-M63 PolarHBondContact O-N 2.9Å
60	V	43	Very low	41.6	Very low	63 Å²	63	103.6 Å²	103.6	38%	0.382	50%	0.502	S	S	.	.	H	α-helix	trans	-62.6	-40	175.1	172.4	0	0	0	0	111	L56 D57 M63 N64	L56-V60 WeakPolarHBondContact O-CG2 3.27Å; L56-V60 PolarHBondContact O-N 3Å; D57-V60 PolarHBondContact O-N 3.45Å; V60-M63 PolarHBondContact O-N 2.89Å; V60-N64 WeakPolarHBondContact O-CB 3.41Å; V60-N64 PolarHBondContact O-N 3.36Å
61	Y	43.2	Very low	41.1	Very low	157 Å²	157	109.3 Å²	109.3	62%	0.616	52%	0.517	S	S	*	.	H	α-helix	trans	-63.3	-45.9	174.5	-174.6	-99.6	0	0	0	111.7	D57 N58 Y59 M63 N64 N65	D57-Y61 WeakPolarHBondContact O-CB 3.48Å; D57-Y61 PolarHBondContact O-N 3.33Å; N58-Y61 PolarHBondContact O-N 3.04Å; Y59-Y61 VanDerWaalsContact C-N 3.32Å; Y59-Y61 PolarHBondContact O-N 3.43Å; Y61-M63 PolarHBondContact O-N 3.03Å; Y61-N64 PolarHBondContact O-N 3.4Å; Y61-N65 WeakPolarHBondContact CE1-ND2 3.24Å; Y61-N65 WeakPolarHBondContact O-CB 3.49Å; Y61-N65 PolarHBondContact O-N 2.81Å
62	K	44.1	Very low	40.3	Very low	101 Å²	101	107.5 Å²	107.5	44%	0.439	51%	0.511	S	S	.	.	H	α-helix	trans	-61.8	-42.3	175.9	-167.2	175.9	176.4	-176.5	0	111.4	N58 Y59 N65 E66 D589	N58-K62 WeakPolarHBondContact O-CB 3.4Å; N58-K62 PolarHBondContact O-N 2.86Å; Y59-K62 PolarHBondContact O-N 3.42Å; K62-N65 CarbonylContact O-C 3.59Å; K62-N65 PolarHBondContact O-N 2.92Å; K62-E66 PolarHBondContact O-N 3.26Å; K62-D589 IonicContact NZ-OD2 3.97Å; K62-D589 PolarHBondContact NZ-OD2 3.39Å
63	M	40.5	Very low	39.9	Very low	107 Å²	107	107.5 Å²	107.5	53%	0.527	51%	0.511	S	S	.	.	H	α-helix	trans	-68.3	-37.3	178.8	-154.9	-171.9	-158.9	0	0	112.6	Y59 V60 Y61 E66 K67	Y59-M63 HydrophobicContact CE1-SD 4.35Å; Y59-M63 WeakPolarHBondContact O-CB 3.45Å; Y59-M63 PolarHBondContact O-N 2.9Å; V60-M63 PolarHBondContact O-N 2.89Å; Y61-M63 PolarHBondContact O-N 3.03Å; M63-E66 PolarHBondContact O-N 3.42Å; M63-K67 PolarHBondContact O-N 3.22Å
64	N	35.6	Very low	39	Very low	96 Å²	96	108.9 Å²	108.9	51%	0.513	52%	0.518	S	S	.	.	H	α-helix	trans	-67.8	-37.9	173	-80.9	-23.2	0	0	0	111.7	V60 Y61 K67 Y68	V60-N64 WeakPolarHBondContact O-CB 3.41Å; V60-N64 PolarHBondContact O-N 3.36Å; Y61-N64 PolarHBondContact O-N 3.4Å; N64-K67 PolarHBondContact O-N 3Å; N64-Y68 PolarHBondContact O-N 2.87Å
65	N	35.9	Very low	38.4	Very low	75 Å²	75	110.6 Å²	110.6	40%	0.401	52%	0.524	S	S	.	.	H	α-helix	trans	-68	-38.9	173	-81.1	-6.8	0	0	0	112	Y61 K62 Y68 H69	Y61-N65 WeakPolarHBondContact CE1-ND2 3.24Å; Y61-N65 WeakPolarHBondContact O-CB 3.49Å; Y61-N65 PolarHBondContact O-N 2.81Å; K62-N65 CarbonylContact O-C 3.59Å; K62-N65 PolarHBondContact O-N 2.92Å; N65-Y68 CarbonylContact O-C 3.53Å; N65-Y68 WeakPolarHBondContact O-CA 3.29Å; N65-Y68 WeakPolarHBondContact O-CB 3.36Å; N65-Y68 PolarHBondContact O-N 3.13Å; N65-Y68 VanDerWaalsContact O-N 3.15Å; N65-H69 WeakPolarHBondContact O-CB 3.4Å; N65-H69 PolarHBondContact O-N 3.5Å
66	E	37.4	Very low	37.9	Very low	107 Å²	107	112.4 Å²	112.4	50%	0.5	53%	0.526	S	S	.	.	H	α-helix	trans	-65	-36.8	172.7	-83.2	-170	169	0	0	112.2	K62 M63 Y68 H69 Q70	K62-E66 PolarHBondContact O-N 3.26Å; M63-E66 PolarHBondContact O-N 3.42Å; E66-Y68 VanDerWaalsContact C-N 3.28Å; E66-Y68 PolarHBondContact O-N 2.88Å; E66-H69 CarbonylContact O-C 3.59Å; E66-H69 PolarHBondContact O-N 2.83Å; E66-Q70 WeakPolarHBondContact O-CB 3.28Å; E66-Q70 WeakPolarHBondContact O-CG 3.28Å; E66-Q70 PolarHBondContact O-N 3.45Å
67	K	37.2	Very low	37.6	Very low	152 Å²	152	114.8 Å²	114.8	66%	0.661	54%	0.539	S	S	*	.	H	α-helix	trans	-63.2	-36.7	171.2	-115.8	179.8	-177.5	174.1	0	112.1	M63 N64 R71	M63-K67 PolarHBondContact O-N 3.22Å; N64-K67 PolarHBondContact O-N 3Å; K67-R71 WeakPolarHBondContact O-CB 3.35Å; K67-R71 PolarHBondContact O-N 2.91Å
68	Y	31	Very low	37.1	Very low	180 Å²	180	115.6 Å²	115.6	71%	0.706	54%	0.543	S	S	*	.	H	α-helix	trans	-66.1	-45.2	171.2	-115.7	-84.6	0	0	0	110.7	N64 N65 E66 R71 T72	N64-Y68 PolarHBondContact O-N 2.87Å; N65-Y68 CarbonylContact O-C 3.53Å; N65-Y68 WeakPolarHBondContact O-CA 3.29Å; N65-Y68 WeakPolarHBondContact O-CB 3.36Å; N65-Y68 PolarHBondContact O-N 3.13Å; N65-Y68 VanDerWaalsContact O-N 3.15Å; E66-Y68 VanDerWaalsContact C-N 3.28Å; E66-Y68 PolarHBondContact O-N 2.88Å; Y68-R71 PolarHBondContact O-N 3.37Å; Y68-T72 PolarHBondContact O-N 3.46Å; Y68-T72 PolarHBondContact O-OG1 3.28Å
69	H	33.1	Very low	36.7	Very low	125 Å²	125	114.3 Å²	114.3	58%	0.579	54%	0.538	S	S	*	.	H	α-helix	trans	-67.7	-41.1	-177.4	-131.5	-14.9	0	0	0	112.5	N65 E66 R71 T72 I73	N65-H69 WeakPolarHBondContact O-CB 3.4Å; N65-H69 PolarHBondContact O-N 3.5Å; E66-H69 CarbonylContact O-C 3.59Å; E66-H69 PolarHBondContact O-N 2.83Å; H69-R71 VanDerWaalsContact C-N 3.31Å; H69-R71 PolarHBondContact O-N 3.46Å; H69-T72 WeakPolarHBondContact CA-OG1 3.34Å; H69-T72 PolarHBondContact O-N 2.98Å; H69-T72 PolarHBondContact O-OG1 3.33Å; H69-I73 WeakPolarHBondContact O-CB 3.37Å; H69-I73 WeakPolarHBondContact O-CD1 3.33Å; H69-I73 WeakPolarHBondContact O-CG1 3.43Å; H69-I73 PolarHBondContact O-N 3.45Å
70	Q	35.5	Very low	36.3	Very low	125 Å²	125	111 Å²	111	58%	0.584	53%	0.53	S	S	*	.	H	α-helix	trans	-64.3	-36.9	172.5	-79.2	-176.4	-14.8	0	0	111.1	E66 I73 H74	E66-Q70 WeakPolarHBondContact O-CB 3.28Å; E66-Q70 WeakPolarHBondContact O-CG 3.28Å; E66-Q70 PolarHBondContact O-N 3.45Å; Q70-I73 PolarHBondContact O-N 2.7Å; Q70-H74 VanDerWaalsContact O-CB 3.26Å; Q70-H74 WeakPolarHBondContact O-CB 3.34Å; Q70-H74 PolarHBondContact O-N 2.98Å
71	R	31.7	Very low	35.8	Very low	205 Å²	205	110.1 Å²	110.1	77%	0.774	53%	0.533	S	S	*	.	H	α-helix	trans	-68.7	-36.2	175.5	-161.5	-178.5	-93.8	-155.8	-4.7	111.4	K67 Y68 H69 L75	K67-R71 WeakPolarHBondContact O-CB 3.35Å; K67-R71 PolarHBondContact O-N 2.91Å; Y68-R71 PolarHBondContact O-N 3.37Å; H69-R71 VanDerWaalsContact C-N 3.31Å; H69-R71 PolarHBondContact O-N 3.46Å; R71-L75 PolarHBondContact O-N 3.5Å; R71-L75 VanDerWaalsContact O-N 3.14Å
72	T	31.5	Very low	35.1	Very low	68 Å²	68	111.7 Å²	111.7	42%	0.417	54%	0.539	S	S	.	.	H	α-helix	trans	-71.6	-38.6	171.2	12.9	0	0	0	0	113	Y68 H69 H74 L75 N76	Y68-T72 PolarHBondContact O-N 3.46Å; Y68-T72 PolarHBondContact O-OG1 3.28Å; H69-T72 WeakPolarHBondContact CA-OG1 3.34Å; H69-T72 PolarHBondContact O-N 2.98Å; H69-T72 PolarHBondContact O-OG1 3.33Å; T72-H74 VanDerWaalsContact C-N 3.35Å; T72-L75 PolarHBondContact O-N 2.95Å; T72-N76 WeakPolarHBondContact O-CB 3.41Å; T72-N76 PolarHBondContact O-N 3.35Å
73	I	36.4	Very low	34.6	Very low	86 Å²	86	112.6 Å²	112.6	44%	0.441	55%	0.545	S	S	.	.	H	α-helix	trans	-66.3	-39	176	-68.2	161.3	0	0	0	110.4	H69 Q70 L75 N76 N77	H69-I73 WeakPolarHBondContact O-CB 3.37Å; H69-I73 WeakPolarHBondContact O-CD1 3.33Å; H69-I73 WeakPolarHBondContact O-CG1 3.43Å; H69-I73 PolarHBondContact O-N 3.45Å; Q70-I73 PolarHBondContact O-N 2.7Å; I73-L75 VanDerWaalsContact C-N 3.31Å; I73-L75 PolarHBondContact O-N 3.05Å; I73-N76 PolarHBondContact O-N 3.22Å; I73-N77 VanDerWaalsContact O-CB 3.28Å; I73-N77 WeakPolarHBondContact O-CB 3.19Å; I73-N77 PolarHBondContact O-N 3.1Å
74	H	31.4	Very low	34.3	Very low	134 Å²	134	112.4 Å²	112.4	62%	0.62	55%	0.546	S	S	*	.	H	α-helix	trans	-70.3	-29.4	177.2	-150.2	-56	0	0	0	112	Q70 T72 I78	Q70-H74 VanDerWaalsContact O-CB 3.26Å; Q70-H74 WeakPolarHBondContact O-CB 3.34Å; Q70-H74 PolarHBondContact O-N 2.98Å; T72-H74 VanDerWaalsContact C-N 3.35Å; H74-I78 WeakPolarHBondContact O-CD1 3.37Å; H74-I78 VanDerWaalsContact O-CG1 3.27Å; H74-I78 WeakPolarHBondContact O-CG1 3.42Å; H74-I78 PolarHBondContact O-N 3.44Å
75	L	35.2	Very low	34.2	Very low	115 Å²	115	114.8 Å²	114.8	60%	0.602	56%	0.559	S	S	*	*	H	α-helix	trans	-73.5	-46.1	170.8	-151.2	78.3	0	0	0	110.8	R71 T72 I73 N77 I78 T79	R71-L75 PolarHBondContact O-N 3.5Å; R71-L75 VanDerWaalsContact O-N 3.14Å; T72-L75 PolarHBondContact O-N 2.95Å; I73-L75 VanDerWaalsContact C-N 3.31Å; I73-L75 PolarHBondContact O-N 3.05Å; L75-N77 PolarHBondContact O-N 2.88Å; L75-I78 PolarHBondContact O-N 3.36Å; L75-T79 PolarHBondContact O-N 3.37Å; L75-T79 PolarHBondContact O-OG1 3.25Å
76	N	34.6	Very low	34.1	Very low	91 Å²	91	117.7 Å²	117.7	49%	0.487	57%	0.574	S	S	.	*	H	α-helix	trans	-64.5	-33.9	176.9	-91.8	10.6	0	0	0	112.8	T72 I73 T79 N80	T72-N76 WeakPolarHBondContact O-CB 3.41Å; T72-N76 PolarHBondContact O-N 3.35Å; I73-N76 PolarHBondContact O-N 3.22Å; N76-T79 PolarHBondContact O-N 2.92Å; N76-N80 WeakPolarHBondContact O-CB 3.2Å; N76-N80 PolarHBondContact O-N 3.49Å; N76-N80 PolarHBondContact O-ND2 2.98Å; N76-N80 PolarHBondContact O-OD1 3.46Å
77	N	37.7	Very low	33.9	Very low	104 Å²	104	115.9 Å²	115.9	56%	0.556	57%	0.57	S	S	*	*	H	α-helix	trans	-72.3	-30.1	175.8	-88	-7	0	0	0	112.3	I73 L75 G81	I73-N77 VanDerWaalsContact O-CB 3.28Å; I73-N77 WeakPolarHBondContact O-CB 3.19Å; I73-N77 PolarHBondContact O-N 3.1Å; L75-N77 PolarHBondContact O-N 2.88Å; N77-G81 PolarHBondContact O-N 3.27Å
78	I	37.5	Very low	33.7	Very low	98 Å²	98	112.5 Å²	112.5	50%	0.503	57%	0.566	S	S	.	*	H	α-helix	trans	-68.2	-42.1	170.5	-67	167.2	0	0	0	109.3	H74 L75 Y82	H74-I78 WeakPolarHBondContact O-CD1 3.37Å; H74-I78 VanDerWaalsContact O-CG1 3.27Å; H74-I78 WeakPolarHBondContact O-CG1 3.42Å; H74-I78 PolarHBondContact O-N 3.44Å; L75-I78 PolarHBondContact O-N 3.36Å; I78-Y82 WeakPolarHBondContact O-CD2 3.38Å
79	T	36.6	Very low	33.5	Very low	76 Å²	76	112.6 Å²	112.6	47%	0.466	57%	0.57	S	S	.	*	H	α-helix	trans	-68	-42.7	176.7	-35	0	0	0	0	112.3	L75 N76 Y82 Q83	L75-T79 PolarHBondContact O-N 3.37Å; L75-T79 PolarHBondContact O-OG1 3.25Å; N76-T79 PolarHBondContact O-N 2.92Å; T79-Y82 PolarHBondContact O-N 3.48Å; T79-Q83 PolarHBondContact O-N 3.26Å; T79-Q83 VanDerWaalsContact O-N 3.15Å
80	N	32.6	Very low	33.3	Very low	67 Å²	67	113.2 Å²	113.2	36%	0.358	57%	0.573	S	S	.	*	H	α-helix	trans	-74.2	-26.3	-179.5	-69.7	-12.4	0	0	0	112.5	N76 Y82 Q83 N84	N76-N80 WeakPolarHBondContact O-CB 3.2Å; N76-N80 PolarHBondContact O-N 3.49Å; N76-N80 PolarHBondContact O-ND2 2.98Å; N76-N80 PolarHBondContact O-OD1 3.46Å; N80-Y82 PolarHBondContact O-N 2.99Å; N80-Q83 PolarHBondContact O-N 2.96Å; N80-N84 VanDerWaalsContact O-CB 3.29Å; N80-N84 WeakPolarHBondContact O-CB 3.44Å; N80-N84 PolarHBondContact O-N 3.31Å; N80-N84 PolarHBondContact O-ND2 2.94Å
81	G	32.5	Very low	33.1	Very low	43 Å²	43	112.7 Å²	112.7	44%	0.443	57%	0.574	S	S	.	*	H	α-helix	trans	-61.4	-30.8	169.9	0	0	0	0	0	112.6	N77	N77-G81 PolarHBondContact O-N 3.27Å
82	Y	30.3	Very low	33	Very low	190 Å²	190	111.5 Å²	111.5	75%	0.745	58%	0.577	S	S	*	*	H	α-helix	trans	-82.3	-33	171.8	-80.1	-80.2	0	0	0	112.7	I78 T79 N80	I78-Y82 WeakPolarHBondContact O-CD2 3.38Å; T79-Y82 PolarHBondContact O-N 3.48Å; N80-Y82 PolarHBondContact O-N 2.99Å
83	Q	32.4	Very low	33.5	Very low	120 Å²	120	112.8 Å²	112.8	56%	0.561	58%	0.581	S	S	*	*	H	α-helix	trans	-70.2	-39.9	177.6	-152.9	90.9	0.7	0	0	112.7	T79 N80 N85 L86 T87	T79-Q83 PolarHBondContact O-N 3.26Å; T79-Q83 VanDerWaalsContact O-N 3.15Å; N80-Q83 PolarHBondContact O-N 2.96Å; Q83-N85 VanDerWaalsContact C-N 3.34Å; Q83-N85 PolarHBondContact O-N 2.88Å; Q83-L86 WeakPolarHBondContact O-CB 3.45Å; Q83-L86 PolarHBondContact O-N 3.5Å; Q83-T87 PolarHBondContact O-N 3.37Å
84	N	34.9	Very low	33.5	Very low	103 Å²	103	115.7 Å²	115.7	55%	0.551	60%	0.598	S	S	*	*	H	α-helix	trans	-74.5	-21.5	-173	-71.9	-10.4	0	0	0	113.9	N80 L86 T87	N80-N84 VanDerWaalsContact O-CB 3.29Å; N80-N84 WeakPolarHBondContact O-CB 3.44Å; N80-N84 PolarHBondContact O-N 3.31Å; N80-N84 PolarHBondContact O-ND2 2.94Å; N84-L86 VanDerWaalsContact C-N 3.26Å; N84-T87 WeakPolarHBondContact CA-OG1 3.3Å; N84-T87 PolarHBondContact O-OG1 3.4Å
85	N	34	Very low	33.5	Very low	146 Å²	146	116.6 Å²	116.6	78%	0.781	61%	0.607	S	S	*	*	H	α-helix	trans	-77.2	-12.9	168.7	-92.2	-7.3	0	0	0	112.8	Q83	Q83-N85 VanDerWaalsContact C-N 3.34Å; Q83-N85 PolarHBondContact O-N 2.88Å
86	L	31.9	Very low	33	Very low	137 Å²	137	117 Å²	117	72%	0.717	61%	0.61	S	S	*	*	H	α-helix	trans	-89.6	-31	170.9	-112.5	99.8	0	0	0	112.6	Q83 N84 F89	Q83-L86 WeakPolarHBondContact O-CB 3.45Å; Q83-L86 PolarHBondContact O-N 3.5Å; N84-L86 VanDerWaalsContact C-N 3.26Å; L86-F89 WeakPolarHBondContact O-CB 3.41Å; L86-F89 PolarHBondContact O-N 2.95Å
87	T	34.7	Very low	32.9	Very low	68 Å²	68	119.7 Å²	119.7	42%	0.417	62%	0.624	S	S	.	*	H	α-helix	trans	-85.3	-10.1	-171	49.5	0	0	0	0	115.3	Q83 N84 F89 H90	Q83-T87 PolarHBondContact O-N 3.37Å; N84-T87 WeakPolarHBondContact CA-OG1 3.3Å; N84-T87 PolarHBondContact O-OG1 3.4Å; T87-F89 PolarHBondContact O-N 3.4Å; T87-H90 PolarHBondContact O-N 2.85Å
88	S	32.7	Very low	32.5	Very low	82 Å²	82	123.6 Å²	123.6	57%	0.573	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	-12.9	164.8	84.7	0	0	0	0	112.4
89	F	26.4	Very low	32.1	Very low	181 Å²	181	124.1 Å²	124.1	79%	0.794	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-7.5	175.3	-140	-89.2	0	0	0	113.6	L86 T87	L86-F89 WeakPolarHBondContact O-CB 3.41Å; L86-F89 PolarHBondContact O-N 2.95Å; T87-F89 PolarHBondContact O-N 3.4Å
90	H	29.3	Very low	31.7	Very low	138 Å²	138	125.7 Å²	125.7	64%	0.639	65%	0.647	S	S	*	*			trans	-110.4	14.5	175.1	-99.4	29.6	0	0	0	113	T87 E92 L93	T87-H90 PolarHBondContact O-N 2.85Å; H90-E92 CarbonylContact O-C 3.47Å; H90-E92 PolarHBondContact O-N 3.3Å; H90-L93 WeakPolarHBondContact O-CD1 3.46Å; H90-L93 WeakPolarHBondContact O-CG 3.36Å; H90-L93 PolarHBondContact O-N 3.39Å
91	N	31.2	Very low	31.5	Very low	114 Å²	114	130.6 Å²	130.6	61%	0.61	67%	0.672	S	S	*	*			trans	-66.5	14.4	166.7	-75.5	-12.8	0	0	0	114.1	L93	N91-L93 PolarHBondContact O-N 2.92Å; N91-L93 VanDerWaalsContact O-N 3.13Å
92	E	30.3	Very low	31.3	Very low	181 Å²	181	132.2 Å²	132.2	85%	0.846	67%	0.673	S	S	*	*			trans	-67.4	24.5	143	-85	-179	150.1	0	0	111.9	H90 D94	H90-E92 CarbonylContact O-C 3.47Å; H90-E92 PolarHBondContact O-N 3.3Å; E92-D94 PolarHBondContact O-N 2.88Å
93	L	40.7	Very low	31.3	Very low	94 Å²	94	129.3 Å²	129.3	49%	0.492	67%	0.671	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.5	23.3	178.2	-111.6	138.9	0	0	0	113.2	H90 N91	H90-L93 WeakPolarHBondContact O-CD1 3.46Å; H90-L93 WeakPolarHBondContact O-CG 3.36Å; H90-L93 PolarHBondContact O-N 3.39Å; N91-L93 PolarHBondContact O-N 2.92Å; N91-L93 VanDerWaalsContact O-N 3.13Å
94	D	36.8	Very low	31.2	Very low	148 Å²	148	134.1 Å²	134.1	79%	0.791	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-17.2	-176.1	-89	-18.3	0	0	0	114.2	E92	E92-D94 PolarHBondContact O-N 2.88Å
95	D	31.3	Very low	31.1	Very low	152 Å²	152	133.5 Å²	133.5	81%	0.813	69%	0.689	S	S	*	*	S	Bend	trans	-120.3	-4.1	-171.5	-82.9	-27	0	0	0	118
96	N	25.8	Very low	31.1	Very low	124 Å²	124	130.7 Å²	130.7	66%	0.663	68%	0.681	S	S	*	*			trans	-122	40.3	-173.4	-77	-29.7	0	0	0	115.8	E98 L99	N96-E98 PolarHBondContact O-N 3.34Å; N96-L99 PolarHBondContact O-N 3.47Å
97	N	32.3	Very low	30.9	Very low	148 Å²	148	131.7 Å²	131.7	79%	0.791	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	11.6	166.4	-94.4	-24	0	0	0	114.9
98	E	28.8	Very low	30.7	Very low	186 Å²	186	134 Å²	134	87%	0.869	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.3	-2.9	173	-147.1	171.5	-174.5	0	0	113.9	N96	N96-E98 PolarHBondContact O-N 3.34Å
99	L	28.1	Very low	30.5	Very low	109 Å²	109	138.2 Å²	138.2	57%	0.571	72%	0.717	S	S	*	*	S	Bend	trans	-123.5	27.4	-174.5	-150.8	82.3	0	0	0	115.7	N96 T102	N96-L99 PolarHBondContact O-N 3.47Å; L99-T102 WeakPolarHBondContact CG-OG1 3.31Å; L99-T102 PolarHBondContact O-OG1 2.9Å
100	I	28.4	Very low	30.6	Very low	108 Å²	108	133 Å²	133	55%	0.554	71%	0.708	S	S	*	*	S	Bend	trans	-100.2	-8.1	173.5	-58.2	180	0	0	0	112.5	T102	I100-T102 VanDerWaalsContact C-N 3.28Å; I100-T102 PolarHBondContact O-N 2.94Å
101	L	29.2	Very low	30.5	Very low	170 Å²	170	133.8 Å²	133.8	89%	0.89	72%	0.715	S	S	*	*	S	Bend	trans	-74.5	-16.6	169.4	-136.7	82	0	0	0	113.3
102	T	29	Very low	30.3	Very low	77 Å²	77	134.3 Å²	134.3	47%	0.472	72%	0.723	S	S	.	*	S	Bend	trans	-100.9	-10.7	-171.9	41.4	0	0	0	0	115.6	L99 I100 S105	L99-T102 WeakPolarHBondContact CG-OG1 3.31Å; L99-T102 PolarHBondContact O-OG1 2.9Å; I100-T102 VanDerWaalsContact C-N 3.28Å; I100-T102 PolarHBondContact O-N 2.94Å; T102-S105 WeakPolarHBondContact O-CB 3.41Å
103	N	30.1	Very low	30.3	Very low	130 Å²	130	132.3 Å²	132.3	70%	0.695	72%	0.718	S	S	*	*	G	3₁₀ helix	trans	-90	-0	177.3	-88.4	-6.9	0	0	0	115.4	S105	N103-S105 PolarHBondContact O-N 3.3Å
104	Y	29.9	Very low	30	Very low	220 Å²	220	135.3 Å²	135.3	86%	0.863	73%	0.734	S	S	*	*	G	3₁₀ helix	trans	-79.3	7.8	163.6	-88.9	-81.4	0	0	0	113.5
105	S	31.6	Very low	30	Very low	91 Å²	91	134.9 Å²	134.9	64%	0.636	73%	0.732	S	S	*	*	G	3₁₀ helix	trans	-104.5	8.7	-172.6	-163.3	0	0	0	0	115.5	T102 N103	T102-S105 WeakPolarHBondContact O-CB 3.41Å; N103-S105 PolarHBondContact O-N 3.3Å
106	S	34	Very low	29.9	Very low	87 Å²	87	133.2 Å²	133.2	61%	0.608	72%	0.719	S	S	*	*	S	Bend	trans	-100.2	-10.1	-175	51.1	0	0	0	0	117.1
107	D	29.5	Very low	30.2	Very low	157 Å²	157	135.8 Å²	135.8	84%	0.84	73%	0.728	S	S	*	*	S	Bend	trans	-113.9	15.5	-174.6	-83.8	-13.1	0	0	0	116.4
108	T	30.3	Very low	30.3	Very low	117 Å²	117	133.1 Å²	133.1	72%	0.718	72%	0.716	S	S	*	*			trans	-134.1	55	171.9	56.7	0	0	0	0	113.1	A110	T108-A110 PolarHBondContact O-N 3.23Å
109	N	26.8	Very low	30.4	Very low	170 Å²	170	129.2 Å²	129.2	91%	0.909	70%	0.702	S	S	*	*			trans	-72.3	30.8	158.4	-91.4	-15.9	0	0	0	113.1
110	A	29.9	Very low	30.7	Very low	72 Å²	72	130.4 Å²	130.4	60%	0.595	70%	0.7	S	S	*	*	S	Bend	trans	-157.1	77	175	0	0	0	0	0	108.9	T108	T108-A110 PolarHBondContact O-N 3.23Å
111	I	27.5	Very low	30.9	Very low	154 Å²	154	133 Å²	133	79%	0.79	71%	0.707	S	S	*	*			trans	-171.5	75.5	132.8	-76.7	136.4	0	0	0	104.3	D113	I111-D113 VanDerWaalsContact C-N 3.35Å; I111-D113 HydrophobicContact CG2-CB 4.44Å; I111-D113 PolarHBondContact O-N 3.06Å
112	T	25.9	Very low	31	Very low	126 Å²	126	129.6 Å²	129.6	77%	0.773	69%	0.689	S	S	*	*			trans	-65.8	100.6	147.8	38.2	0	0	0	0	106.6
113	D	30	Very low	31.2	Very low	139 Å²	139	132.5 Å²	132.5	74%	0.743	69%	0.693	S	S	*	*			trans	-146.1	99	151.9	-95.7	-27.7	0	0	0	107.2	I111 N115	I111-D113 VanDerWaalsContact C-N 3.35Å; I111-D113 HydrophobicContact CG2-CB 4.44Å; I111-D113 PolarHBondContact O-N 3.06Å; D113-N115 PolarHBondContact O-N 2.82Å
114	D	34	Very low	31.3	Very low	156 Å²	156	132.2 Å²	132.2	83%	0.834	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	41.2	-168.3	-79.6	-37.5	0	0	0	115.9
115	N	36.8	Very low	31.4	Very low	139 Å²	139	126.6 Å²	126.6	74%	0.743	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-147.8	16.9	179.1	-90.4	-38.2	0	0	0	117	D113	D113-N115 PolarHBondContact O-N 2.82Å
116	Q	30.4	Very low	31.5	Very low	117 Å²	117	127 Å²	127	55%	0.547	67%	0.665	S	S	.	*	S	Bend	trans	-107.9	-11.8	177.5	-74.6	-162.9	-5	0	0	116.8	T118 N119 Y120	Q116-T118 VanDerWaalsContact C-N 3.26Å; Q116-T118 PolarHBondContact O-N 3.03Å; Q116-N119 PolarHBondContact O-N 3.01Å; Q116-N119 VanDerWaalsContact O-N 3.12Å; Q116-Y120 HydrophobicContact CB-CD2 4.44Å; Q116-Y120 HydrophobicContact CB-CE2 4.22Å; Q116-Y120 WeakPolarHBondContact O-CD2 3.23Å; Q116-Y120 PolarHBondContact O-N 3.05Å
117	E	32.3	Very low	31.5	Very low	179 Å²	179	126.9 Å²	126.9	84%	0.836	66%	0.655	S	S	*	*	H	α-helix	trans	-66.1	-29.8	-179.6	-149.9	179.8	-174.7	0	0	112.6	K121	E117-K121 PolarHBondContact O-N 3.44Å
118	T	32.9	Very low	31.8	Very low	91 Å²	91	123.7 Å²	123.7	56%	0.558	64%	0.641	S	S	*	*	H	α-helix	trans	-73.1	-29.9	174.4	49.7	0	0	0	0	113.1	Q116 N122	Q116-T118 VanDerWaalsContact C-N 3.26Å; Q116-T118 PolarHBondContact O-N 3.03Å; T118-N122 WeakPolarHBondContact O-CB 3.5Å; T118-N122 VanDerWaalsContact O-CG 3.3Å; T118-N122 PolarHBondContact O-N 2.92Å; T118-N122 VanDerWaalsContact O-N 3.15Å; T118-N122 PolarHBondContact O-ND2 3.24Å
119	N	32	Very low	32	Very low	104 Å²	104	121.3 Å²	121.3	56%	0.556	62%	0.623	S	S	*	*	H	α-helix	trans	-75.1	-39.4	179.5	-92.7	-17.6	0	0	0	112.6	Q116 N122 Y123	Q116-N119 PolarHBondContact O-N 3.01Å; Q116-N119 VanDerWaalsContact O-N 3.12Å; N119-N122 PolarHBondContact O-N 2.91Å; N119-Y123 VanDerWaalsContact O-CB 3.25Å; N119-Y123 WeakPolarHBondContact O-CB 3.33Å; N119-Y123 PolarHBondContact O-N 2.92Å
120	Y	33.2	Very low	32.3	Very low	135 Å²	135	119.7 Å²	119.7	53%	0.529	61%	0.61	S	S	.	*	H	α-helix	trans	-68.8	-41.3	177.6	-75.1	-74.5	0	0	0	111.8	Q116 N122 Y123 F124	Q116-Y120 HydrophobicContact CB-CD2 4.44Å; Q116-Y120 HydrophobicContact CB-CE2 4.22Å; Q116-Y120 WeakPolarHBondContact O-CD2 3.23Å; Q116-Y120 PolarHBondContact O-N 3.05Å; Y120-N122 VanDerWaalsContact C-N 3.34Å; Y120-N122 PolarHBondContact O-N 3.09Å; Y120-Y123 PolarHBondContact O-N 3.34Å; Y120-F124 HydrophobicContact CD1-CE2 4.44Å; Y120-F124 WeakPolarHBondContact O-CD2 3.42Å; Y120-F124 PolarHBondContact O-N 2.9Å
121	K	32.8	Very low	32.4	Very low	163 Å²	163	121.1 Å²	121.1	71%	0.709	61%	0.608	S	S	*	*	H	α-helix	trans	-63.6	-40.7	177.3	-150.3	174.4	-172.6	174.7	0	111.5	E117 L125	E117-K121 PolarHBondContact O-N 3.44Å; K121-L125 VanDerWaalsContact O-CB 3.28Å; K121-L125 WeakPolarHBondContact O-CB 3.1Å; K121-L125 PolarHBondContact O-N 3.39Å
122	N	32.1	Very low	32.4	Very low	97 Å²	97	116.5 Å²	116.5	52%	0.519	59%	0.589	S	S	.	*	H	α-helix	trans	-69.5	-37.4	174.3	-74.8	-14	0	0	0	112.7	T118 N119 Y120 L125 D126	T118-N122 WeakPolarHBondContact O-CB 3.5Å; T118-N122 VanDerWaalsContact O-CG 3.3Å; T118-N122 PolarHBondContact O-N 2.92Å; T118-N122 VanDerWaalsContact O-N 3.15Å; T118-N122 PolarHBondContact O-ND2 3.24Å; N119-N122 PolarHBondContact O-N 2.91Å; Y120-N122 VanDerWaalsContact C-N 3.34Å; Y120-N122 PolarHBondContact O-N 3.09Å; N122-L125 PolarHBondContact O-N 2.9Å; N122-D126 VanDerWaalsContact O-CB 3.32Å; N122-D126 WeakPolarHBondContact O-CB 3.47Å; N122-D126 PolarHBondContact O-N 3.46Å
123	Y	33.9	Very low	32.5	Very low	138 Å²	138	117.8 Å²	117.8	54%	0.541	58%	0.584	S	S	.	*	H	α-helix	trans	-64.6	-44.4	176.9	-174.4	-94.2	0	0	0	112.1	N119 Y120 D126 Q127	N119-Y123 VanDerWaalsContact O-CB 3.25Å; N119-Y123 WeakPolarHBondContact O-CB 3.33Å; N119-Y123 PolarHBondContact O-N 2.92Å; Y120-Y123 PolarHBondContact O-N 3.34Å; Y123-D126 PolarHBondContact O-N 3.35Å; Y123-Q127 HydrophobicContact CE1-CG 4.22Å; Y123-Q127 PolarHBondContact O-N 3.29Å; Y123-Q127 PolarHBondContact OH-NE2 3.28Å
124	F	31.8	Very low	32.4	Very low	125 Å²	125	114.3 Å²	114.3	55%	0.548	57%	0.571	S	S	.	*	H	α-helix	trans	-68.8	-37.6	174.9	-75.7	-66.2	0	0	0	111.9	Y120 Q127 T128	Y120-F124 HydrophobicContact CD1-CE2 4.44Å; Y120-F124 WeakPolarHBondContact O-CD2 3.42Å; Y120-F124 PolarHBondContact O-N 2.9Å; F124-Q127 PolarHBondContact O-N 3.31Å; F124-T128 WeakPolarHBondContact O-CB 3.46Å; F124-T128 PolarHBondContact O-N 2.94Å; F124-T128 PolarHBondContact O-OG1 2.92Å
125	L	32.3	Very low	32.1	Very low	102 Å²	102	112.1 Å²	112.1	53%	0.534	56%	0.563	S	S	.	*	H	α-helix	trans	-65.5	-41.8	174.9	-151.4	84.4	0	0	0	111.3	K121 N122 T128 I129	K121-L125 VanDerWaalsContact O-CB 3.28Å; K121-L125 WeakPolarHBondContact O-CB 3.1Å; K121-L125 PolarHBondContact O-N 3.39Å; N122-L125 PolarHBondContact O-N 2.9Å; L125-T128 PolarHBondContact O-N 3.43Å; L125-I129 HydrophobicContact CD2-CD1 3.99Å; L125-I129 HydrophobicContact CG-CD1 3.95Å; L125-I129 WeakPolarHBondContact O-CB 3.47Å; L125-I129 WeakPolarHBondContact O-CG1 3.41Å; L125-I129 PolarHBondContact O-N 3.28Å
126	D	32.5	Very low	31.6	Very low	100 Å²	100	112.2 Å²	112.2	54%	0.535	56%	0.563	S	S	.	*	H	α-helix	trans	-67.3	-38.8	176.9	-95.9	-10.8	0	0	0	112.1	N122 Y123 T128 I129 Q130	N122-D126 VanDerWaalsContact O-CB 3.32Å; N122-D126 WeakPolarHBondContact O-CB 3.47Å; N122-D126 PolarHBondContact O-N 3.46Å; Y123-D126 PolarHBondContact O-N 3.35Å; D126-T128 VanDerWaalsContact C-N 3.35Å; D126-I129 PolarHBondContact O-N 2.86Å; D126-Q130 VanDerWaalsContact O-CB 3.29Å; D126-Q130 WeakPolarHBondContact O-CB 3.22Å; D126-Q130 WeakPolarHBondContact O-CG 3.23Å; D126-Q130 PolarHBondContact O-N 2.85Å
127	Q	34.8	Very low	31.3	Very low	83 Å²	83	112.8 Å²	112.8	39%	0.388	57%	0.57	S	S	.	*	H	α-helix	trans	-64.9	-39.2	171.5	-84.8	-164	-4.7	0	0	111.9	Y123 F124 I129 Q130 N131	Y123-Q127 HydrophobicContact CE1-CG 4.22Å; Y123-Q127 PolarHBondContact O-N 3.29Å; Y123-Q127 PolarHBondContact OH-NE2 3.28Å; F124-Q127 PolarHBondContact O-N 3.31Å; Q127-I129 VanDerWaalsContact C-N 3.35Å; Q127-Q130 PolarHBondContact O-N 3.49Å; Q127-N131 WeakPolarHBondContact O-CB 3.35Å; Q127-N131 VanDerWaalsContact O-CG 3.23Å; Q127-N131 PolarHBondContact O-N 3.48Å
128	T	36.1	Very low	31	Very low	90 Å²	90	113.4 Å²	113.4	55%	0.552	57%	0.57	S	S	*	*	H	α-helix	trans	-69.5	-35.6	178.1	-44.9	0	0	0	0	111.1	F124 L125 D126 S132	F124-T128 WeakPolarHBondContact O-CB 3.46Å; F124-T128 PolarHBondContact O-N 2.94Å; F124-T128 PolarHBondContact O-OG1 2.92Å; L125-T128 PolarHBondContact O-N 3.43Å; D126-T128 VanDerWaalsContact C-N 3.35Å; T128-S132 VanDerWaalsContact O-CB 3.28Å; T128-S132 WeakPolarHBondContact O-CB 3.27Å; T128-S132 PolarHBondContact O-N 3.3Å; T128-S132 PolarHBondContact O-OG 2.86Å
129	I	33.6	Very low	30.6	Very low	67 Å²	67	114.5 Å²	114.5	34%	0.344	58%	0.581	S	S	.	*	H	α-helix	trans	-74.8	-37.9	176.1	-67.3	166.4	0	0	0	111.3	L125 D126 Q127 S132 K133	L125-I129 HydrophobicContact CD2-CD1 3.99Å; L125-I129 HydrophobicContact CG-CD1 3.95Å; L125-I129 WeakPolarHBondContact O-CB 3.47Å; L125-I129 WeakPolarHBondContact O-CG1 3.41Å; L125-I129 PolarHBondContact O-N 3.28Å; D126-I129 PolarHBondContact O-N 2.86Å; Q127-I129 VanDerWaalsContact C-N 3.35Å; I129-S132 WeakPolarHBondContact CA-OG 3.38Å; I129-S132 PolarHBondContact O-OG 3.13Å; I129-K133 HydrophobicContact CG2-CD 4.41Å; I129-K133 WeakPolarHBondContact O-CB 3.24Å; I129-K133 WeakPolarHBondContact O-CG 3.29Å; I129-K133 PolarHBondContact O-N 2.96Å
130	Q	32.4	Very low	30.3	Very low	137 Å²	137	113.5 Å²	113.5	64%	0.64	58%	0.582	S	S	*	*	H	α-helix	trans	-67.7	-42.8	173.4	-79.5	-166.9	5.1	0	0	111.4	D126 Q127 K133 S134	D126-Q130 VanDerWaalsContact O-CB 3.29Å; D126-Q130 WeakPolarHBondContact O-CB 3.22Å; D126-Q130 WeakPolarHBondContact O-CG 3.23Å; D126-Q130 PolarHBondContact O-N 2.85Å; Q127-Q130 PolarHBondContact O-N 3.49Å; Q130-K133 PolarHBondContact O-N 3.13Å; Q130-S134 WeakPolarHBondContact O-CB 3.37Å; Q130-S134 PolarHBondContact O-N 2.95Å
131	N	33.2	Very low	29.8	Very low	101 Å²	101	112 Å²	112	54%	0.54	59%	0.591	S	S	.	*	H	α-helix	trans	-66.5	-39.6	176.6	-73.9	-9.8	0	0	0	111.2	Q127 S134 T135	Q127-N131 WeakPolarHBondContact O-CB 3.35Å; Q127-N131 VanDerWaalsContact O-CG 3.23Å; Q127-N131 PolarHBondContact O-N 3.48Å; N131-S134 PolarHBondContact O-N 2.78Å; N131-S134 PolarHBondContact O-OG 3.39Å; N131-T135 PolarHBondContact O-N 2.63Å; N131-T135 PolarHBondContact O-OG1 3.14Å
132	S	27.9	Very low	29.5	Very low	58 Å²	58	113.4 Å²	113.4	41%	0.406	60%	0.598	S	S	.	*	H	α-helix	trans	-72	-30	175.2	59.2	0	0	0	0	113.9	T128 I129 T135	T128-S132 VanDerWaalsContact O-CB 3.28Å; T128-S132 WeakPolarHBondContact O-CB 3.27Å; T128-S132 PolarHBondContact O-N 3.3Å; T128-S132 PolarHBondContact O-OG 2.86Å; I129-S132 WeakPolarHBondContact CA-OG 3.38Å; I129-S132 PolarHBondContact O-OG 3.13Å; S132-T135 VanDerWaalsContact CA-OG1 3.31Å; S132-T135 WeakPolarHBondContact CA-OG1 3.48Å; S132-T135 PolarHBondContact O-N 3.07Å; S132-T135 PolarHBondContact O-OG1 3.3Å
133	K	27	Very low	29.1	Very low	152 Å²	152	117.5 Å²	117.5	66%	0.661	61%	0.611	S	S	*	*	H	α-helix	trans	-68.9	-35.1	168.2	-82.8	179.7	177.8	174.4	0	111.9	I129 Q130 T135 N136	I129-K133 HydrophobicContact CG2-CD 4.41Å; I129-K133 WeakPolarHBondContact O-CB 3.24Å; I129-K133 WeakPolarHBondContact O-CG 3.29Å; I129-K133 PolarHBondContact O-N 2.96Å; Q130-K133 PolarHBondContact O-N 3.13Å; K133-T135 VanDerWaalsContact C-N 3.34Å; K133-N136 PolarHBondContact O-N 3.49Å
134	S	28.8	Very low	28.7	Very low	66 Å²	66	120 Å²	120	46%	0.462	62%	0.619	S	S	.	*	H	α-helix	trans	-68.4	-31.1	175.8	81.8	0	0	0	0	112.8	Q130 N131 N136 L137	Q130-S134 WeakPolarHBondContact O-CB 3.37Å; Q130-S134 PolarHBondContact O-N 2.95Å; N131-S134 PolarHBondContact O-N 2.78Å; N131-S134 PolarHBondContact O-OG 3.39Å; S134-N136 VanDerWaalsContact C-N 3.26Å; S134-N136 PolarHBondContact O-N 3.07Å; S134-L137 PolarHBondContact O-N 2.92Å
135	T	28.2	Very low	28.4	Very low	110 Å²	110	119.3 Å²	119.3	68%	0.675	63%	0.625	S	S	*	*	H	α-helix	trans	-72.5	-15.1	176.3	46.3	0	0	0	0	114.2	N131 S132 K133	N131-T135 PolarHBondContact O-N 2.63Å; N131-T135 PolarHBondContact O-OG1 3.14Å; S132-T135 VanDerWaalsContact CA-OG1 3.31Å; S132-T135 WeakPolarHBondContact CA-OG1 3.48Å; S132-T135 PolarHBondContact O-N 3.07Å; S132-T135 PolarHBondContact O-OG1 3.3Å; K133-T135 VanDerWaalsContact C-N 3.34Å
136	N	24.4	Very low	28.1	Very low	141 Å²	141	120.3 Å²	120.3	75%	0.754	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.4	6	176.6	-83.6	-25.5	0	0	0	114.4	K133 S134 K138	K133-N136 PolarHBondContact O-N 3.49Å; S134-N136 VanDerWaalsContact C-N 3.26Å; S134-N136 PolarHBondContact O-N 3.07Å; N136-K138 VanDerWaalsContact C-N 3.28Å; N136-K138 PolarHBondContact O-N 3.21Å
137	L	25.5	Very low	28	Very low	129 Å²	129	121.1 Å²	121.1	68%	0.675	64%	0.636	S	S	*	*	S	Bend	trans	-70.8	92.5	164.3	-92.7	145.4	0	0	0	108.5	S134 S139	S134-L137 PolarHBondContact O-N 2.92Å; L137-S139 PolarHBondContact O-N 3.46Å
138	K	24.7	Very low	28	Very low	192 Å²	192	121.1 Å²	121.1	84%	0.835	65%	0.645	S	S	*	*			trans	-25.1	103.4	162.5	-94.8	179.1	172.3	175.2	0	109.8	N136 S140	N136-K138 VanDerWaalsContact C-N 3.28Å; N136-K138 PolarHBondContact O-N 3.21Å; K138-S140 PolarHBondContact O-N 3.19Å
139	S	26.4	Very low	28.3	Very low	115 Å²	115	119.6 Å²	119.6	80%	0.804	64%	0.638	S	S	*	*			trans	12.3	62	155.2	65	0	0	0	0	114.3	L137 S141	L137-S139 PolarHBondContact O-N 3.46Å; S139-S141 PolarHBondContact O-N 3.41Å
140	S	24.4	Very low	29	Very low	82 Å²	82	122 Å²	122	57%	0.573	65%	0.652	S	S	*	*			trans	-75	96.4	162.3	58.2	0	0	0	0	101.1	K138 F142	K138-S140 PolarHBondContact O-N 3.19Å; S140-F142 PolarHBondContact O-N 2.98Å
141	S	23.6	Very low	29.8	Very low	103 Å²	103	117.4 Å²	117.4	72%	0.72	64%	0.635	S	S	*	*			trans	-32.4	98.7	164.7	39.4	0	0	0	0	107.3	S139 K143	S139-S141 PolarHBondContact O-N 3.41Å; S141-K143 PolarHBondContact O-N 2.73Å
142	F	26.2	Very low	30.8	Very low	193 Å²	193	113.9 Å²	113.9	85%	0.846	62%	0.618	S	S	*	*			trans	-55.9	100.9	156.2	-100.7	-92.2	0	0	0	100.8	S140 R144	S140-F142 PolarHBondContact O-N 2.98Å; F142-R144 PolarHBondContact O-N 3.39Å
143	K	22.4	Very low	32.3	Very low	183 Å²	183	116.5 Å²	116.5	80%	0.796	62%	0.622	S	S	*	*			trans	-55.1	86.1	155.5	-83.8	180	176.3	176.5	0	101.6	S141 V145	S141-K143 PolarHBondContact O-N 2.73Å; K143-V145 PolarHBondContact O-N 3.26Å
144	R	26.5	Very low	34	Very low	191 Å²	191	114.3 Å²	114.3	72%	0.721	62%	0.616	S	S	*	*			trans	-51.2	103.3	162.8	-178.9	-178.8	-89.2	-176.3	-8.1	99.9	F142 H146	F142-R144 PolarHBondContact O-N 3.39Å; R144-H146 WeakPolarHBondContact CD-CE1 3.19Å; R144-H146 WeakPolarHBondContact CD-NE2 3.27Å; R144-H146 PolarHBondContact O-N 3.1Å
145	V	24.7	Very low	35.6	Very low	111 Å²	111	114.4 Å²	114.4	67%	0.673	61%	0.607	S	S	*	*			trans	-65.7	79.1	168.9	176.7	0	0	0	0	101.8	K143 T147	K143-V145 PolarHBondContact O-N 3.26Å; V145-T147 HydrophobicContact CG1-CG2 3.62Å; V145-T147 PolarHBondContact O-N 2.88Å
146	H	26.3	Very low	37.3	Very low	122 Å²	122	110.3 Å²	110.3	57%	0.565	58%	0.581	S	S	*	*			trans	-60.5	80.9	146.3	-72.7	-66.5	0	0	0	102.4	R144 S148	R144-H146 WeakPolarHBondContact CD-CE1 3.19Å; R144-H146 WeakPolarHBondContact CD-NE2 3.27Å; R144-H146 PolarHBondContact O-N 3.1Å; H146-S148 PolarHBondContact O-N 3.41Å
147	T	30.1	Very low	39.3	Very low	118 Å²	118	107.4 Å²	107.4	72%	0.724	56%	0.564	S	S	*	*			trans	-58.9	72.7	139.6	34.8	0	0	0	0	104.3	V145 S149	V145-T147 HydrophobicContact CG1-CG2 3.62Å; V145-T147 PolarHBondContact O-N 2.88Å; T147-S149 PolarHBondContact O-N 3.47Å
148	S	36.3	Very low	41.2	Very low	83 Å²	83	104.3 Å²	104.3	58%	0.58	55%	0.548	S	S	*	.			trans	-50.8	113.5	165.3	47.5	0	0	0	0	103.7	H146 N150	H146-S148 PolarHBondContact O-N 3.41Å; S148-N150 PolarHBondContact O-N 2.89Å
149	S	42.4	Very low	43.1	Very low	58 Å²	58	95.9 Å²	95.9	41%	0.406	51%	0.512	S	S	.	.			trans	-46.5	83.3	178.9	53.1	0	0	0	0	111.1	T147 S151 S152 F153	T147-S149 PolarHBondContact O-N 3.47Å; S149-S151 PolarHBondContact O-N 3.33Å; S149-S152 WeakPolarHBondContact CB-OG 3.38Å; S149-S152 PolarHBondContact O-N 3.45Å; S149-S152 PolarHBondContact O-OG 3.2Å; S149-S152 PolarHBondContact OG-OG 2.86Å; S149-F153 PolarHBondContact O-N 3.44Å
150	N	46.6	Very low	45.1	Very low	118 Å²	118	93.6 Å²	93.6	63%	0.631	49%	0.487	S	S	*	.	H	α-helix	trans	-55.4	-31.1	168.5	-79	-7.7	0	0	0	109.3	S148 I154	S148-N150 PolarHBondContact O-N 2.89Å; N150-I154 WeakPolarHBondContact O-CB 3.42Å; N150-I154 VanDerWaalsContact O-CD1 3.32Å; N150-I154 WeakPolarHBondContact O-CD1 3.38Å; N150-I154 WeakPolarHBondContact O-CG1 3.4Å; N150-I154 PolarHBondContact O-N 3.24Å
151	S	51.1	Low	47.3	Very low	40 Å²	40	92.5 Å²	92.5	28%	0.28	48%	0.479	S	S	.	.	H	α-helix	trans	-58.9	-49.6	175.2	63.1	0	0	0	0	113.2	S149 F153 I154 W155 Q606	S149-S151 PolarHBondContact O-N 3.33Å; S151-F153 VanDerWaalsContact C-N 3.33Å; S151-F153 PolarHBondContact O-N 3.17Å; S151-I154 PolarHBondContact O-N 3.28Å; S151-W155 PolarHBondContact O-N 3.23Å; S151-Q606 PolarHBondContact OG-NE2 3.11Å; S151-Q606 VanDerWaalsContact OG-NE2 3.11Å
152	S	53.9	Low	49.4	Very low	26 Å²	26	89.8 Å²	89.8	18%	0.182	46%	0.455	C	S	.	.	H	α-helix	trans	-67.7	-35	-176.4	70.6	0	0	0	0	112.2	S149 W155 N156	S149-S152 WeakPolarHBondContact CB-OG 3.38Å; S149-S152 PolarHBondContact O-N 3.45Å; S149-S152 PolarHBondContact O-OG 3.2Å; S149-S152 PolarHBondContact OG-OG 2.86Å; S152-W155 PolarHBondContact O-N 2.81Å; S152-N156 WeakPolarHBondContact O-CB 3.43Å; S152-N156 PolarHBondContact O-N 3.42Å; S152-N156 PolarHBondContact O-ND2 3.26Å
153	F	58.1	Low	51.3	Low	114 Å²	114	80.6 Å²	80.6	50%	0.5	41%	0.414	S	S	.	.	H	α-helix	trans	-65.7	-45.3	174.1	-176.5	-107.6	0	0	0	111.6	S149 S151 W155 N156 I157	S149-F153 PolarHBondContact O-N 3.44Å; S151-F153 VanDerWaalsContact C-N 3.33Å; S151-F153 PolarHBondContact O-N 3.17Å; F153-W155 PolarHBondContact O-N 3.11Å; F153-N156 PolarHBondContact O-N 2.97Å; F153-I157 HydrophobicContact CD1-CD1 3.69Å; F153-I157 HydrophobicContact CE1-CD1 3.17Å; F153-I157 HydrophobicContact CE1-CG1 4.25Å; F153-I157 HydrophobicContact CE2-CD1 4.12Å; F153-I157 HydrophobicContact CE2-CG1 4.48Å; F153-I157 HydrophobicContact CG-CD1 4.37Å; F153-I157 HydrophobicContact CZ-CD1 3.43Å; F153-I157 VanDerWaalsContact CZ-CD1 3.43Å; F153-I157 HydrophobicContact CZ-CG1 4.24Å; F153-I157 WeakPolarHBondContact O-CG1 3.47Å; F153-I157 PolarHBondContact O-N 2.8Å
154	I	64.4	Low	53.7	Low	105 Å²	105	75.3 Å²	75.3	54%	0.538	40%	0.395	S	S	.	.	H	α-helix	trans	-59.9	-46.3	175.5	-68.3	163	0	0	0	110.6	N150 S151 N156 I157 L158	N150-I154 WeakPolarHBondContact O-CB 3.42Å; N150-I154 VanDerWaalsContact O-CD1 3.32Å; N150-I154 WeakPolarHBondContact O-CD1 3.38Å; N150-I154 WeakPolarHBondContact O-CG1 3.4Å; N150-I154 PolarHBondContact O-N 3.24Å; S151-I154 PolarHBondContact O-N 3.28Å; I154-N156 PolarHBondContact O-N 3Å; I154-I157 PolarHBondContact O-N 3.03Å; I154-L158 VanDerWaalsContact O-CB 3.29Å; I154-L158 WeakPolarHBondContact O-CB 3.41Å; I154-L158 PolarHBondContact O-N 3.03Å
155	W	61.4	Low	55.8	Low	69 Å²	69	69.3 Å²	69.3	26%	0.261	38%	0.376	S	S	.	.	H	α-helix	trans	-61.3	-42.9	176.6	-78.3	114.2	0	0	0	112.1	S151 S152 F153 L158 Q159 L613	S151-W155 PolarHBondContact O-N 3.23Å; S152-W155 PolarHBondContact O-N 2.81Å; F153-W155 PolarHBondContact O-N 3.11Å; W155-L158 HydrophobicContact CE3-CD2 4.23Å; W155-L158 HydrophobicContact CZ3-CD2 4.23Å; W155-L158 PolarHBondContact O-N 3.4Å; W155-Q159 WeakPolarHBondContact O-CB 3.49Å; W155-Q159 VanDerWaalsContact O-CG 3.27Å; W155-Q159 WeakPolarHBondContact O-CG 3.38Å; W155-Q159 PolarHBondContact O-N 3.46Å; W155-L613 HydrophobicContact CE3-CD2 4.38Å; W155-L613 HydrophobicContact CZ3-CD2 3.8Å
156	N	62.8	Low	58	Low	24 Å²	24	64 Å²	64	13%	0.128	35%	0.345	C	S	.	.	H	α-helix	trans	-63.8	-43	177.5	-72.5	-18.5	0	0	0	112.2	S152 F153 I154 F160	S152-N156 WeakPolarHBondContact O-CB 3.43Å; S152-N156 PolarHBondContact O-N 3.42Å; S152-N156 PolarHBondContact O-ND2 3.26Å; F153-N156 PolarHBondContact O-N 2.97Å; I154-N156 PolarHBondContact O-N 3Å; N156-F160 WeakPolarHBondContact O-CB 3.42Å; N156-F160 PolarHBondContact O-N 3.48Å
157	I	68	Low	60.2	Low	80 Å²	80	61.3 Å²	61.3	41%	0.41	33%	0.331	S	S	.	.	H	α-helix	trans	-63.2	-45	174.7	-72.6	175.9	0	0	0	110.9	F153 I154 F160 S161	F153-I157 HydrophobicContact CD1-CD1 3.69Å; F153-I157 HydrophobicContact CE1-CD1 3.17Å; F153-I157 HydrophobicContact CE1-CG1 4.25Å; F153-I157 HydrophobicContact CE2-CD1 4.12Å; F153-I157 HydrophobicContact CE2-CG1 4.48Å; F153-I157 HydrophobicContact CG-CD1 4.37Å; F153-I157 HydrophobicContact CZ-CD1 3.43Å; F153-I157 VanDerWaalsContact CZ-CD1 3.43Å; F153-I157 HydrophobicContact CZ-CG1 4.24Å; F153-I157 WeakPolarHBondContact O-CG1 3.47Å; F153-I157 PolarHBondContact O-N 2.8Å; I154-I157 PolarHBondContact O-N 3.03Å; I157-F160 WeakPolarHBondContact O-CB 3.41Å; I157-F160 PolarHBondContact O-N 3.26Å; I157-S161 WeakPolarHBondContact O-CB 3.26Å; I157-S161 PolarHBondContact O-N 2.93Å; I157-S161 PolarHBondContact O-OG 3.34Å
158	L	65.1	Low	62.3	Low	64 Å²	64	59.9 Å²	59.9	34%	0.335	32%	0.318	S	S	.	.	H	α-helix	trans	-60.7	-50.3	-179.4	-168.6	64.6	0	0	0	109.7	I154 W155 F160 S161 F162 L613	I154-L158 VanDerWaalsContact O-CB 3.29Å; I154-L158 WeakPolarHBondContact O-CB 3.41Å; I154-L158 PolarHBondContact O-N 3.03Å; W155-L158 HydrophobicContact CE3-CD2 4.23Å; W155-L158 HydrophobicContact CZ3-CD2 4.23Å; W155-L158 PolarHBondContact O-N 3.4Å; L158-F160 VanDerWaalsContact C-N 3.3Å; L158-F160 PolarHBondContact O-N 2.96Å; L158-S161 WeakPolarHBondContact O-CB 3.46Å; L158-S161 PolarHBondContact O-N 2.81Å; L158-S161 VanDerWaalsContact O-N 3.15Å; L158-F162 HydrophobicContact CD1-CD2 4Å; L158-F162 HydrophobicContact CD1-CE2 3.59Å; L158-F162 HydrophobicContact CG-CD2 3.94Å; L158-F162 HydrophobicContact CG-CE2 3.84Å; L158-F162 VanDerWaalsContact O-CD2 3.26Å; L158-F162 WeakPolarHBondContact O-CD2 3.3Å; L158-F162 PolarHBondContact O-N 2.95Å; L158-L613 HydrophobicContact CD2-CD2 3.42Å; L158-L613 VanDerWaalsContact CD2-CD2 3.42Å; L158-L613 HydrophobicContact CG-CD1 4.15Å; L158-L613 HydrophobicContact CG-CD2 3.92Å
159	Q	64	Low	63.9	Low	15 Å²	15	57.5 Å²	57.5	7%	0.07	30%	0.3	C	S	.	.	H	α-helix	trans	-62.7	-35.1	177.4	-64.4	179.1	-11.1	0	0	112.7	W155 F162 G163 Q241 Q609 L613	W155-Q159 WeakPolarHBondContact O-CB 3.49Å; W155-Q159 VanDerWaalsContact O-CG 3.27Å; W155-Q159 WeakPolarHBondContact O-CG 3.38Å; W155-Q159 PolarHBondContact O-N 3.46Å; Q159-F162 PolarHBondContact O-N 3.38Å; Q159-G163 PolarHBondContact O-N 2.99Å; Q159-Q241 PolarHBondContact O-OE1 3.37Å; Q159-Q241 VanDerWaalsContact OE1-NE2 3.13Å; Q159-Q609 PolarHBondContact NE2-O 3.27Å; Q159-L613 HydrophobicContact CB-CD1 4.19Å; Q159-L613 HydrophobicContact CG-CB 4.47Å; Q159-L613 HydrophobicContact CG-CD1 3.75Å
160	F	68.8	Low	65.3	Low	66 Å²	66	55.1 Å²	55.1	29%	0.289	28%	0.282	S	S	.	.	H	α-helix	trans	-62.5	-44.6	173.1	176.2	-100.1	0	0	0	111.9	N156 I157 L158 F162 G163 L164 Q241 L242	N156-F160 WeakPolarHBondContact O-CB 3.42Å; N156-F160 PolarHBondContact O-N 3.48Å; I157-F160 WeakPolarHBondContact O-CB 3.41Å; I157-F160 PolarHBondContact O-N 3.26Å; L158-F160 VanDerWaalsContact C-N 3.3Å; L158-F160 PolarHBondContact O-N 2.96Å; F160-F162 VanDerWaalsContact C-N 3.35Å; F160-F162 PolarHBondContact O-N 3.5Å; F160-G163 PolarHBondContact O-N 3.44Å; F160-L164 WeakPolarHBondContact O-CB 3.36Å; F160-L164 PolarHBondContact O-N 2.98Å; F160-Q241 HydrophobicContact CB-CB 4.12Å; F160-Q241 HydrophobicContact CD2-CB 4.26Å; F160-L242 HydrophobicContact CE2-CD1 3.7Å; F160-L242 HydrophobicContact CE2-CG 4.36Å; F160-L242 HydrophobicContact CZ-CD1 4.37Å
161	S	70.4	Confident	66.6	Low	59 Å²	59	51.5 Å²	51.5	41%	0.413	27%	0.265	S	S	.	.	H	α-helix	trans	-64.2	-41.9	179.7	-54.1	0	0	0	0	111.1	I157 L158 L165	I157-S161 WeakPolarHBondContact O-CB 3.26Å; I157-S161 PolarHBondContact O-N 2.93Å; I157-S161 PolarHBondContact O-OG 3.34Å; L158-S161 WeakPolarHBondContact O-CB 3.46Å; L158-S161 PolarHBondContact O-N 2.81Å; L158-S161 VanDerWaalsContact O-N 3.15Å; S161-L165 WeakPolarHBondContact O-CB 3.27Å; S161-L165 PolarHBondContact O-N 2.91Å
162	F	68	Low	67.7	Low	46 Å²	46	53.8 Å²	53.8	20%	0.202	28%	0.277	C	S	.	.	H	α-helix	trans	-72.7	-35.3	175.6	-82	-76.5	0	0	0	113.3	L158 Q159 F160 L165 C166 L613 I616 F617 F621	L158-F162 HydrophobicContact CD1-CD2 4Å; L158-F162 HydrophobicContact CD1-CE2 3.59Å; L158-F162 HydrophobicContact CG-CD2 3.94Å; L158-F162 HydrophobicContact CG-CE2 3.84Å; L158-F162 VanDerWaalsContact O-CD2 3.26Å; L158-F162 WeakPolarHBondContact O-CD2 3.3Å; L158-F162 PolarHBondContact O-N 2.95Å; Q159-F162 PolarHBondContact O-N 3.38Å; F160-F162 VanDerWaalsContact C-N 3.35Å; F160-F162 PolarHBondContact O-N 3.5Å; F162-L165 HydrophobicContact CD1-CD2 4.3Å; F162-L165 PolarHBondContact O-N 2.77Å; F162-C166 WeakPolarHBondContact O-CB 3.26Å; F162-C166 PolarHBondContact O-N 3.49Å; F162-L613 HydrophobicContact CB-CD1 4.07Å; F162-L613 HydrophobicContact CD2-CD1 3.55Å; F162-L613 HydrophobicContact CD2-CG 4.29Å; F162-L613 HydrophobicContact CE2-CD1 4.24Å; F162-L613 HydrophobicContact CE2-CD2 4.41Å; F162-L613 HydrophobicContact CG-CD1 4.03Å; F162-I616 HydrophobicContact CB-CG2 4.11Å; F162-F617 HydrophobicContact CD1-CD2 4.46Å; F162-F617 AromaticContact CE1-CD2 3.76Å; F162-F617 HydrophobicContact CE1-CD2 3.76Å; F162-F617 HydrophobicContact CE1-CE2 4.33Å; F162-F617 HydrophobicContact CZ-CD2 4.34Å; F162-F621 HydrophobicContact CD1-CE2 4.41Å; F162-F621 HydrophobicContact CE1-CE2 4Å
163	G	66.1	Low	68.5	Low	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.1	-44.6	172.1	0	0	0	0	0	111.6	Q159 F160 C166 F167 S238	Q159-G163 PolarHBondContact O-N 2.99Å; F160-G163 PolarHBondContact O-N 3.44Å; G163-C166 WeakPolarHBondContact O-CB 3.49Å; G163-C166 PolarHBondContact O-N 2.84Å; G163-F167 PolarHBondContact O-N 3.47Å; G163-S238 VanDerWaalsContact C-OG 3.28Å
164	L	72.3	Confident	69.1	Low	72 Å²	72	51.1 Å²	51.1	38%	0.377	26%	0.262	S	S	.	.	H	α-helix	trans	-64.5	-42.1	175.3	-174	70.8	0	0	0	111.6	F160 C166 F167 I168 S238	F160-L164 WeakPolarHBondContact O-CB 3.36Å; F160-L164 PolarHBondContact O-N 2.98Å; L164-C166 VanDerWaalsContact C-N 3.34Å; L164-C166 PolarHBondContact O-N 2.84Å; L164-F167 WeakPolarHBondContact O-CB 3.35Å; L164-F167 PolarHBondContact O-N 2.9Å; L164-I168 HydrophobicContact CG-CD1 4.05Å; L164-I168 WeakPolarHBondContact O-CG1 3.46Å; L164-I168 PolarHBondContact O-N 3.42Å; L164-S238 PolarHBondContact N-OG 2.81Å
165	L	71.2	Confident	69.6	Low	65 Å²	65	50.6 Å²	50.6	34%	0.34	26%	0.259	S	S	.	.	H	α-helix	trans	-59.8	-45.5	174.2	-178.2	68.1	0	0	0	111.1	S161 F162 F167 I168 V169 F621	S161-L165 WeakPolarHBondContact O-CB 3.27Å; S161-L165 PolarHBondContact O-N 2.91Å; F162-L165 HydrophobicContact CD1-CD2 4.3Å; F162-L165 PolarHBondContact O-N 2.77Å; L165-F167 VanDerWaalsContact C-N 3.31Å; L165-F167 PolarHBondContact O-N 3.37Å; L165-I168 PolarHBondContact O-N 3.22Å; L165-V169 HydrophobicContact CD1-CG2 4.33Å; L165-V169 HydrophobicContact CG-CG2 4.4Å; L165-V169 WeakPolarHBondContact O-CB 3.47Å; L165-V169 VanDerWaalsContact O-CG2 3.24Å; L165-V169 WeakPolarHBondContact O-CG2 3.33Å; L165-V169 PolarHBondContact O-N 3.49Å; L165-F621 HydrophobicContact CD2-CE2 3.91Å; L165-F621 HydrophobicContact CD2-CZ 3.76Å
166	C	69.7	Low	70.2	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.007	27%	0.266	C	S	.	.	H	α-helix	trans	-57.9	-44.4	175.7	-178.3	0	0	0	0	111.4	F162 G163 L164 H170 I616 T620	F162-C166 WeakPolarHBondContact O-CB 3.26Å; F162-C166 PolarHBondContact O-N 3.49Å; G163-C166 WeakPolarHBondContact O-CB 3.49Å; G163-C166 PolarHBondContact O-N 2.84Å; L164-C166 VanDerWaalsContact C-N 3.34Å; L164-C166 PolarHBondContact O-N 2.84Å; C166-H170 PolarHBondContact O-N 3.42Å; C166-H170 PolarHBondContact O-ND1 3.24Å; C166-H170 PolarHBondContact SG-ND1 3.38Å; C166-I616 HydrophobicContact CB-CG2 4.34Å; C166-T620 HydrophobicContact CB-CG2 4.2Å; C166-T620 WeakPolarHBondContact CB-OG1 3.45Å
167	F	72.5	Confident	70.6	Confident	65 Å²	65	51.6 Å²	51.6	29%	0.285	26%	0.261	S	S	.	.	H	α-helix	trans	-59.3	-52.9	174.7	176.7	-101.9	0	0	0	112	G163 L164 L165 V169 H170 V171 T231 F235	G163-F167 PolarHBondContact O-N 3.47Å; L164-F167 WeakPolarHBondContact O-CB 3.35Å; L164-F167 PolarHBondContact O-N 2.9Å; L165-F167 VanDerWaalsContact C-N 3.31Å; L165-F167 PolarHBondContact O-N 3.37Å; F167-V169 VanDerWaalsContact C-N 3.34Å; F167-V169 PolarHBondContact O-N 3.42Å; F167-H170 PolarHBondContact O-N 2.93Å; F167-V171 HydrophobicContact CD1-CG2 4.33Å; F167-V171 HydrophobicContact CD2-CG2 4.15Å; F167-V171 HydrophobicContact CE1-CG2 3.99Å; F167-V171 HydrophobicContact CE2-CG2 3.8Å; F167-V171 HydrophobicContact CG-CG2 4.41Å; F167-V171 HydrophobicContact CZ-CG2 3.72Å; F167-V171 WeakPolarHBondContact O-CB 3.49Å; F167-V171 VanDerWaalsContact O-CG2 3.29Å; F167-V171 WeakPolarHBondContact O-CG2 3.34Å; F167-V171 PolarHBondContact O-N 2.97Å; F167-T231 WeakPolarHBondContact CD2-O 3.16Å; F167-F235 HydrophobicContact CD2-CB 3.9Å; F167-F235 HydrophobicContact CE2-CB 4Å; F167-F235 HydrophobicContact CE2-CD2 4.2Å
168	I	75.2	Confident	70.8	Confident	87 Å²	87	51.1 Å²	51.1	45%	0.446	26%	0.258	S	S	.	.	H	α-helix	trans	-60	-44.4	-178.6	-68.2	168.3	0	0	0	111.2	L164 L165 V171 T172	L164-I168 HydrophobicContact CG-CD1 4.05Å; L164-I168 WeakPolarHBondContact O-CG1 3.46Å; L164-I168 PolarHBondContact O-N 3.42Å; L165-I168 PolarHBondContact O-N 3.22Å; I168-V171 PolarHBondContact O-N 3.29Å; I168-T172 WeakPolarHBondContact O-CB 3.44Å; I168-T172 PolarHBondContact O-N 2.64Å; I168-T172 PolarHBondContact O-OG1 2.98Å
169	V	70.6	Confident	71.3	Confident	33 Å²	33	51 Å²	51	20%	0.2	26%	0.262	C	S	.	.	H	α-helix	trans	-60	-50.7	178.1	166.1	0	0	0	0	110.5	L165 F167 V171 T172 W173 T620 I624	L165-V169 HydrophobicContact CD1-CG2 4.33Å; L165-V169 HydrophobicContact CG-CG2 4.4Å; L165-V169 WeakPolarHBondContact O-CB 3.47Å; L165-V169 VanDerWaalsContact O-CG2 3.24Å; L165-V169 WeakPolarHBondContact O-CG2 3.33Å; L165-V169 PolarHBondContact O-N 3.49Å; F167-V169 VanDerWaalsContact C-N 3.34Å; F167-V169 PolarHBondContact O-N 3.42Å; V169-V171 VanDerWaalsContact C-N 3.34Å; V169-V171 PolarHBondContact O-N 3.47Å; V169-T172 PolarHBondContact O-N 3.22Å; V169-W173 VanDerWaalsContact O-CB 3.22Å; V169-W173 WeakPolarHBondContact O-CB 3.43Å; V169-W173 PolarHBondContact O-N 3.39Å; V169-T620 HydrophobicContact CB-CG2 4.3Å; V169-T620 HydrophobicContact CG1-CG2 4.41Å; V169-T620 HydrophobicContact CG2-CG2 4.2Å; V169-I624 HydrophobicContact CB-CD1 4.24Å; V169-I624 HydrophobicContact CG1-CD1 3.49Å; V169-I624 VanDerWaalsContact CG1-CD1 3.49Å; V169-I624 HydrophobicContact CG1-CG1 3.61Å; V169-I624 HydrophobicContact CG2-CD1 3.71Å
170	H	71.4	Confident	71.5	Confident	8 Å²	8	52.2 Å²	52.2	4%	0.037	27%	0.268	C	S	.	.	H	α-helix	trans	-68.4	-34.1	-177.5	-75.8	88.1	0	0	0	112.1	C166 F167 W173 F174 T231	C166-H170 PolarHBondContact O-N 3.42Å; C166-H170 PolarHBondContact O-ND1 3.24Å; C166-H170 PolarHBondContact SG-ND1 3.38Å; F167-H170 PolarHBondContact O-N 2.93Å; H170-W173 AromaticContact CD2-CE3 3.87Å; H170-W173 PolarHBondContact O-N 3.05Å; H170-F174 WeakPolarHBondContact O-CB 3.39Å; H170-F174 PolarHBondContact O-N 3.12Å; H170-T231 HydrophobicContact CB-CG2 3.58Å
171	V	73.9	Confident	71.5	Confident	43 Å²	43	51.5 Å²	51.5	26%	0.261	27%	0.269	S	S	.	.	H	α-helix	trans	-65.8	-48.1	174.6	169.7	0	0	0	0	110.2	F167 I168 V169 W173 F174 I175 T231	F167-V171 HydrophobicContact CD1-CG2 4.33Å; F167-V171 HydrophobicContact CD2-CG2 4.15Å; F167-V171 HydrophobicContact CE1-CG2 3.99Å; F167-V171 HydrophobicContact CE2-CG2 3.8Å; F167-V171 HydrophobicContact CG-CG2 4.41Å; F167-V171 HydrophobicContact CZ-CG2 3.72Å; F167-V171 WeakPolarHBondContact O-CB 3.49Å; F167-V171 VanDerWaalsContact O-CG2 3.29Å; F167-V171 WeakPolarHBondContact O-CG2 3.34Å; F167-V171 PolarHBondContact O-N 2.97Å; I168-V171 PolarHBondContact O-N 3.29Å; V169-V171 VanDerWaalsContact C-N 3.34Å; V169-V171 PolarHBondContact O-N 3.47Å; V171-W173 VanDerWaalsContact C-N 3.27Å; V171-W173 PolarHBondContact O-N 3.45Å; V171-F174 PolarHBondContact O-N 2.8Å; V171-I175 HydrophobicContact CG1-CD1 3.71Å; V171-I175 HydrophobicContact CG1-CG1 4.4Å; V171-I175 WeakPolarHBondContact O-CB 3.22Å; V171-I175 VanDerWaalsContact O-CG1 3.27Å; V171-I175 WeakPolarHBondContact O-CG1 3.29Å; V171-I175 PolarHBondContact O-N 3.4Å; V171-T231 HydrophobicContact CB-CG2 4.27Å; V171-T231 HydrophobicContact CG2-CG2 3.58Å
172	T	73.1	Confident	71.5	Confident	88 Å²	88	52.2 Å²	52.2	54%	0.54	27%	0.271	S	S	.	.	H	α-helix	trans	-59.7	-42.3	177.3	-54.3	0	0	0	0	110.7	I168 V169 W176	I168-T172 WeakPolarHBondContact O-CB 3.44Å; I168-T172 PolarHBondContact O-N 2.64Å; I168-T172 PolarHBondContact O-OG1 2.98Å; V169-T172 PolarHBondContact O-N 3.22Å; T172-W176 WeakPolarHBondContact O-CB 3.2Å; T172-W176 PolarHBondContact O-N 3.37Å
173	W	71.2	Confident	71.5	Confident	27 Å²	27	55.6 Å²	55.6	10%	0.102	29%	0.29	C	S	.	.	H	α-helix	trans	-65.5	-44.5	177.3	-177.6	44.5	0	0	0	112.5	V169 H170 V171 W176 L177 E223 L226 G227 F627	V169-W173 VanDerWaalsContact O-CB 3.22Å; V169-W173 WeakPolarHBondContact O-CB 3.43Å; V169-W173 PolarHBondContact O-N 3.39Å; H170-W173 AromaticContact CD2-CE3 3.87Å; H170-W173 PolarHBondContact O-N 3.05Å; V171-W173 VanDerWaalsContact C-N 3.27Å; V171-W173 PolarHBondContact O-N 3.45Å; W173-W176 AromaticContact CD1-CE3 3.83Å; W173-W176 PolarHBondContact O-N 2.8Å; W173-L177 HydrophobicContact CD2-CD1 4.13Å; W173-L177 HydrophobicContact CG-CD1 4.48Å; W173-L177 HydrophobicContact CH2-CD1 4.46Å; W173-L177 HydrophobicContact CZ2-CD1 3.73Å; W173-L177 WeakPolarHBondContact O-CG 3.24Å; W173-L177 PolarHBondContact O-N 3.21Å; W173-E223 VanDerWaalsContact CH2-O 3.29Å; W173-E223 WeakPolarHBondContact CH2-O 3.46Å; W173-E223 HydrophobicContact CZ2-CB 4.18Å; W173-L226 HydrophobicContact CH2-CB 3.81Å; W173-L226 HydrophobicContact CH2-CD2 3.73Å; W173-L226 HydrophobicContact CH2-CG 4.02Å; W173-L226 HydrophobicContact CZ3-CB 4.08Å; W173-L226 HydrophobicContact CZ3-CD2 4.18Å; W173-L226 HydrophobicContact CZ3-CG 4.13Å; W173-G227 VanDerWaalsContact CE3-CA 3.45Å; W173-F627 HydrophobicContact CH2-CE2 4.2Å; W173-F627 HydrophobicContact CH2-CZ 4.28Å; W173-F627 HydrophobicContact CZ2-CE1 4.47Å; W173-F627 AromaticContact CZ2-CE2 3.8Å; W173-F627 HydrophobicContact CZ2-CE2 3.8Å; W173-F627 AromaticContact CZ2-CZ 3.74Å; W173-F627 HydrophobicContact CZ2-CZ 3.74Å
174	F	71.3	Confident	71.5	Confident	57 Å²	57	58.3 Å²	58.3	25%	0.25	30%	0.302	C	S	.	.	H	α-helix	trans	-61.9	-47.1	177.1	179.7	-106.8	0	0	0	111.7	H170 V171 W176 L177 I178 L224 F228	H170-F174 WeakPolarHBondContact O-CB 3.39Å; H170-F174 PolarHBondContact O-N 3.12Å; V171-F174 PolarHBondContact O-N 2.8Å; F174-W176 VanDerWaalsContact C-N 3.31Å; F174-W176 PolarHBondContact O-N 2.96Å; F174-L177 PolarHBondContact O-N 2.93Å; F174-I178 HydrophobicContact CD1-CD1 3.67Å; F174-I178 HydrophobicContact CE1-CD1 3.24Å; F174-I178 HydrophobicContact CE1-CG1 4.35Å; F174-I178 HydrophobicContact CE2-CD1 4.18Å; F174-I178 HydrophobicContact CG-CD1 4.33Å; F174-I178 HydrophobicContact CZ-CD1 3.53Å; F174-I178 HydrophobicContact CZ-CG1 4.33Å; F174-I178 WeakPolarHBondContact O-CG1 3.31Å; F174-I178 PolarHBondContact O-N 3.31Å; F174-L224 HydrophobicContact CD2-CD2 4.2Å; F174-L224 HydrophobicContact CE2-CD2 4.19Å; F174-F228 HydrophobicContact CD2-CB 4.26Å; F174-F228 HydrophobicContact CE2-CB 3.97Å; F174-F228 HydrophobicContact CE2-CD2 4.34Å; F174-F228 HydrophobicContact CZ-CD2 4.29Å
175	I	74	Confident	71.2	Confident	93 Å²	93	61.2 Å²	61.2	48%	0.477	31%	0.312	S	S	.	.	H	α-helix	trans	-58.5	-45.9	174.9	-68.1	167.2	0	0	0	110.1	V171 L177 I178 C179	V171-I175 HydrophobicContact CG1-CD1 3.71Å; V171-I175 HydrophobicContact CG1-CG1 4.4Å; V171-I175 WeakPolarHBondContact O-CB 3.22Å; V171-I175 VanDerWaalsContact O-CG1 3.27Å; V171-I175 WeakPolarHBondContact O-CG1 3.29Å; V171-I175 PolarHBondContact O-N 3.4Å; I175-L177 PolarHBondContact O-N 3.4Å; I175-I178 PolarHBondContact O-N 2.97Å; I175-C179 PolarHBondContact O-N 2.75Å; I175-C179 PolarHBondContact O-SG 3.34Å
176	W	74.7	Confident	70.8	Confident	110 Å²	110	62.3 Å²	62.3	42%	0.417	32%	0.317	S	S	.	.	H	α-helix	trans	-62.8	-40.3	179	-180	56.9	0	0	0	113	T172 W173 F174 C179 H180 R631	T172-W176 WeakPolarHBondContact O-CB 3.2Å; T172-W176 PolarHBondContact O-N 3.37Å; W173-W176 AromaticContact CD1-CE3 3.83Å; W173-W176 PolarHBondContact O-N 2.8Å; F174-W176 VanDerWaalsContact C-N 3.31Å; F174-W176 PolarHBondContact O-N 2.96Å; W176-C179 WeakPolarHBondContact O-CB 3.45Å; W176-C179 PolarHBondContact O-N 3.5Å; W176-H180 PolarHBondContact O-N 3Å; W176-R631 HydrophobicContact CH2-CG 4.01Å
177	L	70.4	Confident	70.3	Confident	5 Å²	5	64.5 Å²	64.5	3%	0.026	33%	0.332	C	S	.	.	H	α-helix	trans	-67.5	-36.4	175.2	-74.6	175.7	0	0	0	112.6	W173 F174 I175 H180 T181 E223 L224	W173-L177 HydrophobicContact CD2-CD1 4.13Å; W173-L177 HydrophobicContact CG-CD1 4.48Å; W173-L177 HydrophobicContact CH2-CD1 4.46Å; W173-L177 HydrophobicContact CZ2-CD1 3.73Å; W173-L177 WeakPolarHBondContact O-CG 3.24Å; W173-L177 PolarHBondContact O-N 3.21Å; F174-L177 PolarHBondContact O-N 2.93Å; I175-L177 PolarHBondContact O-N 3.4Å; L177-H180 PolarHBondContact O-N 2.7Å; L177-T181 WeakPolarHBondContact O-CB 3.27Å; L177-T181 PolarHBondContact O-N 3.19Å; L177-T181 PolarHBondContact O-OG1 3.49Å; L177-E223 HydrophobicContact CD1-CB 4.01Å; L177-E223 WeakPolarHBondContact CD1-O 3.39Å; L177-E223 HydrophobicContact CD2-CB 4.41Å; L177-L224 HydrophobicContact CB-CD2 3.44Å; L177-L224 VanDerWaalsContact CB-CD2 3.44Å; L177-L224 HydrophobicContact CB-CG 3.94Å; L177-L224 HydrophobicContact CD1-CD2 4.36Å; L177-L224 HydrophobicContact CD1-CG 4.38Å
178	I	73.9	Confident	69.6	Low	69 Å²	69	65.5 Å²	65.5	35%	0.354	34%	0.337	S	S	.	.	H	α-helix	trans	-61.4	-49.3	171.9	-72.1	170.2	0	0	0	109.6	F174 I175 H180 T181 V182 L224	F174-I178 HydrophobicContact CD1-CD1 3.67Å; F174-I178 HydrophobicContact CE1-CD1 3.24Å; F174-I178 HydrophobicContact CE1-CG1 4.35Å; F174-I178 HydrophobicContact CE2-CD1 4.18Å; F174-I178 HydrophobicContact CG-CD1 4.33Å; F174-I178 HydrophobicContact CZ-CD1 3.53Å; F174-I178 HydrophobicContact CZ-CG1 4.33Å; F174-I178 WeakPolarHBondContact O-CG1 3.31Å; F174-I178 PolarHBondContact O-N 3.31Å; I175-I178 PolarHBondContact O-N 2.97Å; I178-H180 VanDerWaalsContact C-N 3.27Å; I178-H180 PolarHBondContact O-N 2.72Å; I178-T181 PolarHBondContact O-N 2.84Å; I178-V182 HydrophobicContact CG2-CG2 4.27Å; I178-V182 WeakPolarHBondContact O-CG2 3.37Å; I178-V182 PolarHBondContact O-N 3.44Å; I178-L224 HydrophobicContact CG1-CD2 3.92Å
179	C	74.3	Confident	68.6	Low	61 Å²	61	66.8 Å²	66.8	41%	0.412	34%	0.342	S	S	.	.	H	α-helix	trans	-55.3	-44.8	176.1	-69.7	0	0	0	0	111.1	I175 W176 T181 V182 L183	I175-C179 PolarHBondContact O-N 2.75Å; I175-C179 PolarHBondContact O-SG 3.34Å; W176-C179 WeakPolarHBondContact O-CB 3.45Å; W176-C179 PolarHBondContact O-N 3.5Å; C179-T181 VanDerWaalsContact C-N 3.33Å; C179-T181 PolarHBondContact O-N 3.38Å; C179-V182 PolarHBondContact O-N 2.96Å; C179-L183 WeakPolarHBondContact O-CB 3.43Å; C179-L183 WeakPolarHBondContact O-CG 3.41Å; C179-L183 PolarHBondContact O-N 2.94Å
180	H	68.6	Low	67.8	Low	42 Å²	42	68 Å²	68	19%	0.194	35%	0.349	C	S	.	.	H	α-helix	trans	-63.2	-38.2	176.9	-165.1	-61.2	0	0	0	112.7	W176 L177 I178 F184 Y216	W176-H180 PolarHBondContact O-N 3Å; L177-H180 PolarHBondContact O-N 2.7Å; I178-H180 VanDerWaalsContact C-N 3.27Å; I178-H180 PolarHBondContact O-N 2.72Å; H180-F184 VanDerWaalsContact O-CB 3.25Å; H180-F184 WeakPolarHBondContact O-CB 3.39Å; H180-F184 PolarHBondContact O-N 3.08Å; H180-Y216 AromaticContact CE1-CZ 3.97Å; H180-Y216 PolarHBondContact CE1-OH 2.82Å; H180-Y216 PolarHBondContact NE2-OH 3.31Å
181	T	68.5	Low	66.6	Low	50 Å²	50	69.7 Å²	69.7	31%	0.307	36%	0.362	S	S	.	.	H	α-helix	trans	-70	-41.6	179.6	-56.1	0	0	0	0	111.4	L177 I178 C179 F184 K185 I220	L177-T181 WeakPolarHBondContact O-CB 3.27Å; L177-T181 PolarHBondContact O-N 3.19Å; L177-T181 PolarHBondContact O-OG1 3.49Å; I178-T181 PolarHBondContact O-N 2.84Å; C179-T181 VanDerWaalsContact C-N 3.33Å; C179-T181 PolarHBondContact O-N 3.38Å; T181-F184 PolarHBondContact O-N 3.06Å; T181-K185 WeakPolarHBondContact O-CB 3.49Å; T181-K185 PolarHBondContact O-N 3.17Å; T181-I220 WeakPolarHBondContact OG1-CG2 3.44Å
182	V	71.2	Confident	65.1	Low	75 Å²	75	70.5 Å²	70.5	46%	0.455	37%	0.369	S	S	.	.	H	α-helix	trans	-63.9	-48	174.8	173.4	0	0	0	0	110.3	I178 C179 F184 K185 I186	I178-V182 HydrophobicContact CG2-CG2 4.27Å; I178-V182 WeakPolarHBondContact O-CG2 3.37Å; I178-V182 PolarHBondContact O-N 3.44Å; C179-V182 PolarHBondContact O-N 2.96Å; V182-F184 VanDerWaalsContact C-N 3.31Å; V182-F184 PolarHBondContact O-N 2.91Å; V182-K185 PolarHBondContact O-N 2.91Å; V182-I186 HydrophobicContact CG1-CD1 3.76Å; V182-I186 HydrophobicContact CG1-CG1 4.43Å; V182-I186 VanDerWaalsContact O-CG1 3.28Å; V182-I186 WeakPolarHBondContact O-CG1 3.18Å; V182-I186 PolarHBondContact O-N 3.41Å
183	L	68.3	Low	63.7	Low	117 Å²	117	70.3 Å²	70.3	61%	0.613	37%	0.372	S	S	*	.	H	α-helix	trans	-59.3	-42.1	175.9	-73.4	169.2	0	0	0	111.9	C179 I186 C187	C179-L183 WeakPolarHBondContact O-CB 3.43Å; C179-L183 WeakPolarHBondContact O-CG 3.41Å; C179-L183 PolarHBondContact O-N 2.94Å; L183-I186 PolarHBondContact O-N 3.32Å; L183-C187 VanDerWaalsContact O-CB 3.3Å; L183-C187 WeakPolarHBondContact O-CB 3.3Å; L183-C187 PolarHBondContact O-N 2.79Å
184	F	65.7	Low	62	Low	57 Å²	57	74.7 Å²	74.7	25%	0.25	39%	0.393	C	S	.	.	H	α-helix	trans	-64.2	-43.1	176.1	-176.7	-97.8	0	0	0	111.9	H180 T181 V182 C187 Q188 V213 Y216	H180-F184 VanDerWaalsContact O-CB 3.25Å; H180-F184 WeakPolarHBondContact O-CB 3.39Å; H180-F184 PolarHBondContact O-N 3.08Å; T181-F184 PolarHBondContact O-N 3.06Å; V182-F184 VanDerWaalsContact C-N 3.31Å; V182-F184 PolarHBondContact O-N 2.91Å; F184-C187 PolarHBondContact O-N 3.25Å; F184-Q188 WeakPolarHBondContact O-CB 3.37Å; F184-Q188 PolarHBondContact O-N 3.47Å; F184-V213 HydrophobicContact CZ-CG1 4.42Å; F184-Y216 HydrophobicContact CD2-CD1 4.13Å; F184-Y216 AromaticContact CD2-CE1 3.64Å; F184-Y216 HydrophobicContact CD2-CE1 3.64Å; F184-Y216 HydrophobicContact CE1-CD1 4.48Å; F184-Y216 AromaticContact CE2-CD1 3.69Å; F184-Y216 HydrophobicContact CE2-CD1 3.69Å; F184-Y216 AromaticContact CE2-CE1 3.65Å; F184-Y216 HydrophobicContact CE2-CE1 3.65Å; F184-Y216 HydrophobicContact CG-CE1 4.24Å; F184-Y216 AromaticContact CZ-CD1 3.89Å; F184-Y216 HydrophobicContact CZ-CD1 3.89Å; F184-Y216 HydrophobicContact CZ-CE1 4.27Å
185	K	66	Low	60.3	Low	132 Å²	132	78.8 Å²	78.8	57%	0.574	41%	0.411	S	S	*	.	H	α-helix	trans	-65.1	-40.4	177.9	-170.6	177.5	179.6	-178.3	0	112	T181 V182 Q188 Q189	T181-K185 WeakPolarHBondContact O-CB 3.49Å; T181-K185 PolarHBondContact O-N 3.17Å; V182-K185 PolarHBondContact O-N 2.91Å; K185-Q188 PolarHBondContact O-N 3.16Å; K185-Q189 WeakPolarHBondContact O-CB 3.31Å; K185-Q189 WeakPolarHBondContact O-CG 3.46Å; K185-Q189 PolarHBondContact O-N 2.86Å
186	I	63.6	Low	58.5	Low	89 Å²	89	81.2 Å²	81.2	46%	0.456	42%	0.424	S	S	.	.	H	α-helix	trans	-62.1	-46.9	174.1	-67	166.3	0	0	0	109.8	V182 L183 Q188 Q189 T190	V182-I186 HydrophobicContact CG1-CD1 3.76Å; V182-I186 HydrophobicContact CG1-CG1 4.43Å; V182-I186 VanDerWaalsContact O-CG1 3.28Å; V182-I186 WeakPolarHBondContact O-CG1 3.18Å; V182-I186 PolarHBondContact O-N 3.41Å; L183-I186 PolarHBondContact O-N 3.32Å; I186-Q188 VanDerWaalsContact C-N 3.33Å; I186-Q188 PolarHBondContact O-N 3.46Å; I186-Q189 PolarHBondContact O-N 2.74Å; I186-T190 WeakPolarHBondContact O-CG2 3.45Å; I186-T190 PolarHBondContact O-N 3.41Å; I186-T190 PolarHBondContact O-OG1 2.86Å
187	C	58	Low	56.7	Low	46 Å²	46	82 Å²	82	31%	0.311	44%	0.441	S	S	.	.	H	α-helix	trans	-64.2	-35.5	177.5	-172.3	0	0	0	0	112.8	L183 F184 T190 S191	L183-C187 VanDerWaalsContact O-CB 3.3Å; L183-C187 WeakPolarHBondContact O-CB 3.3Å; L183-C187 PolarHBondContact O-N 2.79Å; F184-C187 PolarHBondContact O-N 3.25Å; C187-T190 VanDerWaalsContact CA-OG1 3.31Å; C187-T190 WeakPolarHBondContact CA-OG1 3.26Å; C187-T190 PolarHBondContact O-N 2.94Å; C187-T190 PolarHBondContact O-OG1 3.22Å; C187-S191 PolarHBondContact O-N 3.35Å; C187-S191 PolarHBondContact O-OG 3.36Å
188	Q	57.2	Low	55.3	Low	86 Å²	86	86.2 Å²	86.2	40%	0.402	47%	0.467	S	S	.	.	H	α-helix	trans	-69.6	-39.2	174.1	-168.2	176.2	9.8	0	0	111.5	F184 K185 I186 S191 S192	F184-Q188 WeakPolarHBondContact O-CB 3.37Å; F184-Q188 PolarHBondContact O-N 3.47Å; K185-Q188 PolarHBondContact O-N 3.16Å; I186-Q188 VanDerWaalsContact C-N 3.33Å; I186-Q188 PolarHBondContact O-N 3.46Å; Q188-S191 WeakPolarHBondContact CA-OG 3.47Å; Q188-S191 PolarHBondContact O-N 3.42Å; Q188-S191 PolarHBondContact O-OG 2.95Å; Q188-S192 VanDerWaalsContact O-CB 3.29Å; Q188-S192 WeakPolarHBondContact O-CB 3.25Å; Q188-S192 PolarHBondContact O-N 2.87Å; Q188-S192 PolarHBondContact O-OG 2.86Å
189	Q	55.6	Low	53.4	Low	115 Å²	115	87.4 Å²	87.4	54%	0.537	48%	0.481	S	S	.	.	H	α-helix	trans	-62.6	-43	174.1	-78.9	179.3	-27.2	0	0	111.2	K185 I186 S191 S192 S193	K185-Q189 WeakPolarHBondContact O-CB 3.31Å; K185-Q189 WeakPolarHBondContact O-CG 3.46Å; K185-Q189 PolarHBondContact O-N 2.86Å; I186-Q189 PolarHBondContact O-N 2.74Å; Q189-S191 VanDerWaalsContact C-N 3.32Å; Q189-S191 PolarHBondContact O-N 3.1Å; Q189-S192 WeakPolarHBondContact CA-OG 3.3Å; Q189-S192 PolarHBondContact O-N 2.76Å; Q189-S192 PolarHBondContact O-OG 3.29Å; Q189-S193 PolarHBondContact O-N 3.49Å; Q189-S193 VanDerWaalsContact O-N 3.11Å; Q189-S193 PolarHBondContact O-OG 2.88Å
190	T	52.5	Low	51.3	Low	59 Å²	59	93.4 Å²	93.4	36%	0.362	50%	0.503	S	S	.	.	H	α-helix	trans	-68.4	-27.1	177.5	55.1	0	0	0	0	113.8	I186 C187 S193	I186-T190 WeakPolarHBondContact O-CG2 3.45Å; I186-T190 PolarHBondContact O-N 3.41Å; I186-T190 PolarHBondContact O-OG1 2.86Å; C187-T190 VanDerWaalsContact CA-OG1 3.31Å; C187-T190 WeakPolarHBondContact CA-OG1 3.26Å; C187-T190 PolarHBondContact O-N 2.94Å; C187-T190 PolarHBondContact O-OG1 3.22Å; T190-S193 PolarHBondContact O-OG 3.2Å
191	S	46.4	Very low	49.8	Very low	42 Å²	42	96.1 Å²	96.1	29%	0.294	53%	0.527	S	S	.	.	H	α-helix	trans	-84.2	-34.6	172.8	50	0	0	0	0	112.4	C187 Q188 Q189 S193 Q194 F195	C187-S191 PolarHBondContact O-N 3.35Å; C187-S191 PolarHBondContact O-OG 3.36Å; Q188-S191 WeakPolarHBondContact CA-OG 3.47Å; Q188-S191 PolarHBondContact O-N 3.42Å; Q188-S191 PolarHBondContact O-OG 2.95Å; Q189-S191 VanDerWaalsContact C-N 3.32Å; Q189-S191 PolarHBondContact O-N 3.1Å; S191-S193 VanDerWaalsContact C-N 3.29Å; S191-S193 PolarHBondContact O-N 2.96Å; S191-Q194 CarbonylContact O-C 3.58Å; S191-Q194 WeakPolarHBondContact O-CA 3.22Å; S191-Q194 WeakPolarHBondContact O-CB 3.34Å; S191-Q194 PolarHBondContact O-N 3.42Å; S191-F195 WeakPolarHBondContact O-CD2 3.49Å; S191-F195 PolarHBondContact O-N 2.8Å
192	S	43.6	Very low	48	Very low	60 Å²	60	105.6 Å²	105.6	42%	0.42	56%	0.557	S	S	.	*	H	α-helix	trans	-65	-32.7	176.1	68.9	0	0	0	0	112.7	Q188 Q189 Q194 F195 L196	Q188-S192 VanDerWaalsContact O-CB 3.29Å; Q188-S192 WeakPolarHBondContact O-CB 3.25Å; Q188-S192 PolarHBondContact O-N 2.87Å; Q188-S192 PolarHBondContact O-OG 2.86Å; Q189-S192 WeakPolarHBondContact CA-OG 3.3Å; Q189-S192 PolarHBondContact O-N 2.76Å; Q189-S192 PolarHBondContact O-OG 3.29Å; S192-Q194 PolarHBondContact O-N 3.36Å; S192-F195 PolarHBondContact O-N 2.92Å; S192-L196 PolarHBondContact O-N 2.79Å
193	S	42.5	Very low	46.4	Very low	85 Å²	85	108.2 Å²	108.2	59%	0.594	57%	0.567	S	S	*	*	H	α-helix	trans	-67.6	-24.6	170.5	57.3	0	0	0	0	112.8	Q189 T190 S191	Q189-S193 PolarHBondContact O-N 3.49Å; Q189-S193 VanDerWaalsContact O-N 3.11Å; Q189-S193 PolarHBondContact O-OG 2.88Å; T190-S193 PolarHBondContact O-OG 3.2Å; S191-S193 VanDerWaalsContact C-N 3.29Å; S191-S193 PolarHBondContact O-N 2.96Å
194	Q	36.2	Very low	44.7	Very low	119 Å²	119	115 Å²	115	56%	0.556	59%	0.585	S	S	*	*	H	α-helix	trans	-83.2	-26.2	171.4	-68.6	177.9	-16.8	0	0	113	S191 S192 T197	S191-Q194 CarbonylContact O-C 3.58Å; S191-Q194 WeakPolarHBondContact O-CA 3.22Å; S191-Q194 WeakPolarHBondContact O-CB 3.34Å; S191-Q194 PolarHBondContact O-N 3.42Å; S192-Q194 PolarHBondContact O-N 3.36Å; Q194-T197 PolarHBondContact O-OG1 3.45Å; Q194-T197 VanDerWaalsContact O-OG1 3.09Å
195	F	36.3	Very low	43.2	Very low	143 Å²	143	119.2 Å²	119.2	63%	0.627	61%	0.605	S	S	*	*	H	α-helix	trans	-90.1	-11	-179.9	-91.3	-81.5	0	0	0	114.6	S191 S192 T197 V198	S191-F195 WeakPolarHBondContact O-CD2 3.49Å; S191-F195 PolarHBondContact O-N 2.8Å; S192-F195 PolarHBondContact O-N 2.92Å; F195-T197 PolarHBondContact O-N 3.49Å; F195-V198 PolarHBondContact O-N 3.31Å
196	L	34.3	Very low	41.8	Very low	144 Å²	144	119.6 Å²	119.6	75%	0.754	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-12.8	176.3	-137.7	98.4	0	0	0	113	S192	S192-L196 PolarHBondContact O-N 2.79Å
197	T	38.6	Very low	41.3	Very low	126 Å²	126	119.8 Å²	119.8	77%	0.773	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	-3	174.9	39.7	0	0	0	0	115.1	Q194 F195	Q194-T197 PolarHBondContact O-OG1 3.45Å; Q194-T197 VanDerWaalsContact O-OG1 3.09Å; F195-T197 PolarHBondContact O-N 3.49Å
198	V	39.7	Very low	40.9	Very low	94 Å²	94	123 Å²	123	57%	0.57	62%	0.623	S	S	*	*	S	Bend	trans	-122.3	9.7	-176.2	-166.2	0	0	0	0	113.6	F195 H200	F195-V198 PolarHBondContact O-N 3.31Å; V198-H200 VanDerWaalsContact C-N 3.27Å; V198-H200 PolarHBondContact O-N 2.91Å; V198-H200 VanDerWaalsContact O-N 3.13Å
199	S	33.6	Very low	40.7	Very low	93 Å²	93	122 Å²	122	65%	0.65	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	16.8	-174.5	60	0	0	0	0	116.3
200	H	30.8	Very low	40.7	Very low	188 Å²	188	120.7 Å²	120.7	87%	0.87	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	0.2	177.5	-87.1	-61.6	0	0	0	116.5	V198 R202	V198-H200 VanDerWaalsContact C-N 3.27Å; V198-H200 PolarHBondContact O-N 2.91Å; V198-H200 VanDerWaalsContact O-N 3.13Å; H200-R202 PolarHBondContact O-N 3.3Å
201	S	37.7	Very low	40.9	Very low	98 Å²	98	120.8 Å²	120.8	69%	0.685	62%	0.62	S	S	*	*			trans	-90.9	97.3	172.5	62.3	0	0	0	0	111.6	I203	S201-I203 VanDerWaalsContact C-N 3.27Å; S201-I203 PolarHBondContact O-N 3Å
202	R	31.3	Very low	41.4	Very low	249 Å²	249	122.9 Å²	122.9	94%	0.94	62%	0.624	S	S	*	*			trans	-75.3	70.5	178.4	-159.7	-169.7	-67.6	-178.6	-0.9	110.3	H200	H200-R202 PolarHBondContact O-N 3.3Å
203	I	37.3	Very low	42.2	Very low	131 Å²	131	122.3 Å²	122.3	67%	0.672	62%	0.618	S	S	*	*			trans	-124.2	108.6	165.9	-59.8	178.2	0	0	0	108.1	S201 Q205	S201-I203 VanDerWaalsContact C-N 3.27Å; S201-I203 PolarHBondContact O-N 3Å; I203-Q205 HydrophobicContact CG2-CB 4.35Å; I203-Q205 HydrophobicContact CG2-CG 4.25Å; I203-Q205 PolarHBondContact O-N 3.11Å
204	R	31.4	Very low	43.3	Very low	259 Å²	259	124.1 Å²	124.1	98%	0.977	62%	0.615	S	S	*	*			trans	-74.8	49.2	178.8	-158.9	-176	-171.7	-171.6	3.1	111
205	Q	34.8	Very low	44.6	Very low	145 Å²	145	119.5 Å²	119.5	68%	0.678	59%	0.593	S	S	*	*			trans	-86.1	118.1	156.3	-85.6	178.3	-15.2	0	0	105.5	I203 N207	I203-Q205 HydrophobicContact CG2-CB 4.35Å; I203-Q205 HydrophobicContact CG2-CG 4.25Å; I203-Q205 PolarHBondContact O-N 3.11Å; Q205-N207 VanDerWaalsContact C-N 3.34Å; Q205-N207 PolarHBondContact O-N 3.32Å
206	M	37.3	Very low	45.9	Very low	141 Å²	141	115.5 Å²	115.5	70%	0.695	58%	0.575	S	S	*	*			trans	-56.2	106.8	163.5	-85.5	-174.2	153.1	0	0	106.4	E208	M206-E208 PolarHBondContact O-N 3.4Å
207	N	52.5	Low	47.5	Very low	92 Å²	92	114.1 Å²	114.1	49%	0.492	56%	0.564	S	S	.	*			trans	-59.8	142.3	177.3	-77.1	-23	0	0	0	107.9	Q205 S209 D210 L211	Q205-N207 VanDerWaalsContact C-N 3.34Å; Q205-N207 PolarHBondContact O-N 3.32Å; N207-S209 VanDerWaalsContact CB-OG 3.26Å; N207-S209 WeakPolarHBondContact CB-OG 3.37Å; N207-S209 PolarHBondContact O-N 2.96Å; N207-D210 WeakPolarHBondContact O-CB 3.44Å; N207-D210 PolarHBondContact O-N 3.5Å; N207-L211 PolarHBondContact O-N 2.98Å
208	E	50	Low	48.7	Very low	114 Å²	114	112 Å²	112	53%	0.533	55%	0.548	S	S	.	.	H	α-helix	trans	-52.1	-27.4	176.1	-68.7	-169.5	153.8	0	0	111.7	M206 F212 K533	M206-E208 PolarHBondContact O-N 3.4Å; E208-F212 WeakPolarHBondContact O-CB 3.22Å; E208-F212 PolarHBondContact O-N 3.3Å; E208-K533 VanDerWaalsContact CD-NZ 3.29Å; E208-K533 IonicContact OE1-NZ 3.44Å; E208-K533 PolarHBondContact OE1-NZ 2.94Å; E208-K533 WeakPolarHBondContact OE2-CE 3.3Å; E208-K533 IonicContact OE2-NZ 3.47Å; E208-K533 PolarHBondContact OE2-NZ 2.95Å
209	S	52.6	Low	50	Low	66 Å²	66	107.8 Å²	107.8	46%	0.462	52%	0.522	S	S	.	.	H	α-helix	trans	-62.9	-41	171.9	57.3	0	0	0	0	113.7	N207 F212 V213	N207-S209 VanDerWaalsContact CB-OG 3.26Å; N207-S209 WeakPolarHBondContact CB-OG 3.37Å; N207-S209 PolarHBondContact O-N 2.96Å; S209-F212 WeakPolarHBondContact O-CB 3.34Å; S209-F212 PolarHBondContact O-N 3.39Å; S209-V213 WeakPolarHBondContact O-CG2 3.45Å; S209-V213 PolarHBondContact O-N 3.25Å
210	D	55.5	Low	51.6	Low	87 Å²	87	104 Å²	104	47%	0.465	50%	0.495	S	S	.	.	H	α-helix	trans	-70.5	-41.1	-178.6	-63.8	-15.1	0	0	0	110.5	N207 F212 V213 K214	N207-D210 WeakPolarHBondContact O-CB 3.44Å; N207-D210 PolarHBondContact O-N 3.5Å; D210-F212 VanDerWaalsContact C-N 3.27Å; D210-F212 PolarHBondContact O-N 2.93Å; D210-V213 PolarHBondContact O-N 2.89Å; D210-K214 VanDerWaalsContact O-CB 3.29Å; D210-K214 WeakPolarHBondContact O-CB 3.4Å; D210-K214 PolarHBondContact O-N 3.37Å
211	L	55.7	Low	53.3	Low	60 Å²	60	101.3 Å²	101.3	31%	0.314	48%	0.482	S	S	.	.	H	α-helix	trans	-63.4	-38.2	174.9	-161.2	148.9	0	0	0	110.7	N207 H215 Y296 S299	N207-L211 PolarHBondContact O-N 2.98Å; L211-H215 WeakPolarHBondContact O-CB 3.39Å; L211-H215 PolarHBondContact O-N 3.06Å; L211-Y296 HydrophobicContact CD2-CD2 3.92Å; L211-Y296 HydrophobicContact CD2-CE2 4.17Å; L211-S299 WeakPolarHBondContact CD2-OG 3.48Å
212	F	56.9	Low	54.6	Low	86 Å²	86	97 Å²	97	38%	0.377	45%	0.452	S	S	.	.	H	α-helix	trans	-63.6	-48.3	173.7	177.1	-75.1	0	0	0	112.8	E208 S209 D210 K214 H215 Y216 K536	E208-F212 WeakPolarHBondContact O-CB 3.22Å; E208-F212 PolarHBondContact O-N 3.3Å; S209-F212 WeakPolarHBondContact O-CB 3.34Å; S209-F212 PolarHBondContact O-N 3.39Å; D210-F212 VanDerWaalsContact C-N 3.27Å; D210-F212 PolarHBondContact O-N 2.93Å; F212-K214 VanDerWaalsContact C-N 3.34Å; F212-H215 PolarHBondContact O-N 3.22Å; F212-Y216 WeakPolarHBondContact O-CB 3.37Å; F212-Y216 PolarHBondContact O-N 2.9Å; F212-K536 HydrophobicContact CD2-CD 4.14Å; F212-K536 HydrophobicContact CE2-CD 3.61Å; F212-K536 HydrophobicContact CZ-CD 4.34Å
213	V	61.7	Low	56.4	Low	48 Å²	48	86 Å²	86	29%	0.291	41%	0.412	S	S	.	.	H	α-helix	trans	-63.2	-43.8	179.3	170.6	0	0	0	0	110	F184 S209 D210 Y216 Q217	F184-V213 HydrophobicContact CZ-CG1 4.42Å; S209-V213 WeakPolarHBondContact O-CG2 3.45Å; S209-V213 PolarHBondContact O-N 3.25Å; D210-V213 PolarHBondContact O-N 2.89Å; V213-Y216 PolarHBondContact O-N 2.75Å; V213-Q217 WeakPolarHBondContact O-CB 3.45Å; V213-Q217 PolarHBondContact O-N 2.99Å
214	K	65.6	Low	57.9	Low	123 Å²	123	81.1 Å²	81.1	54%	0.535	39%	0.386	S	S	.	.	H	α-helix	trans	-63.5	-44.9	178.1	-169.4	175	-177.9	178.3	0	112.3	D210 F212 Y216 Q217 L218	D210-K214 VanDerWaalsContact O-CB 3.29Å; D210-K214 WeakPolarHBondContact O-CB 3.4Å; D210-K214 PolarHBondContact O-N 3.37Å; F212-K214 VanDerWaalsContact C-N 3.34Å; K214-Y216 VanDerWaalsContact C-N 3.33Å; K214-Y216 PolarHBondContact O-N 2.91Å; K214-Q217 PolarHBondContact O-N 3.5Å; K214-L218 HydrophobicContact CG-CD1 3.99Å; K214-L218 WeakPolarHBondContact O-CB 3.26Å; K214-L218 WeakPolarHBondContact O-CD1 3.36Å; K214-L218 WeakPolarHBondContact O-CG 3.36Å; K214-L218 PolarHBondContact O-N 3Å
215	H	63.2	Low	59.6	Low	22 Å²	22	72.5 Å²	72.5	10%	0.102	36%	0.357	C	S	.	.	H	α-helix	trans	-60.1	-44.2	174.5	172	68.4	0	0	0	111.4	L211 F212 Q217 L218 T219 I292 N293 Y296	L211-H215 WeakPolarHBondContact O-CB 3.39Å; L211-H215 PolarHBondContact O-N 3.06Å; F212-H215 PolarHBondContact O-N 3.22Å; H215-Q217 PolarHBondContact O-N 3.34Å; H215-L218 PolarHBondContact O-N 3.46Å; H215-T219 PolarHBondContact CE1-OG1 3.3Å; H215-T219 WeakPolarHBondContact O-CB 3.43Å; H215-T219 PolarHBondContact O-N 2.9Å; H215-T219 PolarHBondContact O-OG1 3.47Å; H215-I292 VanDerWaalsContact ND1-CG2 3.3Å; H215-I292 WeakPolarHBondContact ND1-CG2 3.49Å; H215-N293 PolarHBondContact CE1-OD1 3.47Å; H215-Y296 HydrophobicContact CB-CD2 3.71Å; H215-Y296 HydrophobicContact CB-CE2 4.08Å; H215-Y296 HydrophobicContact CB-CG 4.36Å; H215-Y296 AromaticContact CD2-CD1 3.84Å; H215-Y296 AromaticContact CD2-CD2 3.66Å; H215-Y296 AromaticContact CD2-CE2 3.88Å; H215-Y296 AromaticContact CD2-CG 3.63Å; H215-Y296 AromaticContact CE1-CG 3.75Å; H215-Y296 AromaticContact CG-CD2 3.48Å; H215-Y296 VanDerWaalsContact CG-CD2 3.48Å; H215-Y296 AromaticContact CG-CG 3.64Å; H215-Y296 WeakPolarHBondContact ND1-CB 3.24Å; H215-Y296 AromaticContact ND1-CD2 3.97Å; H215-Y296 AromaticContact ND1-CG 3.72Å; H215-Y296 AromaticContact NE2-CD1 3.69Å; H215-Y296 AromaticContact NE2-CG 3.71Å
216	Y	63.4	Low	61.2	Low	60 Å²	60	65.9 Å²	65.9	24%	0.235	33%	0.327	C	S	.	.	H	α-helix	trans	-62.7	-44.2	179.3	-171.6	-110.4	0	0	0	112.6	H180 F184 F212 V213 K214 T219 I220	H180-Y216 AromaticContact CE1-CZ 3.97Å; H180-Y216 PolarHBondContact CE1-OH 2.82Å; H180-Y216 PolarHBondContact NE2-OH 3.31Å; F184-Y216 HydrophobicContact CD2-CD1 4.13Å; F184-Y216 AromaticContact CD2-CE1 3.64Å; F184-Y216 HydrophobicContact CD2-CE1 3.64Å; F184-Y216 HydrophobicContact CE1-CD1 4.48Å; F184-Y216 AromaticContact CE2-CD1 3.69Å; F184-Y216 HydrophobicContact CE2-CD1 3.69Å; F184-Y216 AromaticContact CE2-CE1 3.65Å; F184-Y216 HydrophobicContact CE2-CE1 3.65Å; F184-Y216 HydrophobicContact CG-CE1 4.24Å; F184-Y216 AromaticContact CZ-CD1 3.89Å; F184-Y216 HydrophobicContact CZ-CD1 3.89Å; F184-Y216 HydrophobicContact CZ-CE1 4.27Å; F212-Y216 WeakPolarHBondContact O-CB 3.37Å; F212-Y216 PolarHBondContact O-N 2.9Å; V213-Y216 PolarHBondContact O-N 2.75Å; K214-Y216 VanDerWaalsContact C-N 3.33Å; K214-Y216 PolarHBondContact O-N 2.91Å; Y216-T219 PolarHBondContact O-N 2.76Å; Y216-I220 HydrophobicContact CD1-CD1 3.75Å; Y216-I220 HydrophobicContact CE1-CD1 3.19Å; Y216-I220 HydrophobicContact CE1-CG1 4.28Å; Y216-I220 HydrophobicContact CE2-CD1 4.1Å; Y216-I220 HydrophobicContact CE2-CG1 4.48Å; Y216-I220 HydrophobicContact CG-CD1 4.41Å; Y216-I220 WeakPolarHBondContact O-CG1 3.45Å; Y216-I220 PolarHBondContact O-N 3.4Å
217	Q	67.4	Low	62.5	Low	115 Å²	115	59.2 Å²	59.2	54%	0.537	29%	0.294	S	S	.	.	H	α-helix	trans	-62.9	-44.2	176.7	-174.8	178.9	-7.7	0	0	112	V213 K214 H215 I220 H221	V213-Q217 WeakPolarHBondContact O-CB 3.45Å; V213-Q217 PolarHBondContact O-N 2.99Å; K214-Q217 PolarHBondContact O-N 3.5Å; H215-Q217 PolarHBondContact O-N 3.34Å; Q217-I220 PolarHBondContact O-N 2.96Å; Q217-H221 WeakPolarHBondContact O-CB 3.23Å; Q217-H221 PolarHBondContact O-N 3.4Å
218	L	65.3	Low	63.3	Low	80 Å²	80	59.6 Å²	59.6	42%	0.419	29%	0.291	S	S	.	.	H	α-helix	trans	-61.6	-45.3	176.5	-79.6	158.4	0	0	0	111.6	K214 H215 H221 S222 I292	K214-L218 HydrophobicContact CG-CD1 3.99Å; K214-L218 WeakPolarHBondContact O-CB 3.26Å; K214-L218 WeakPolarHBondContact O-CD1 3.36Å; K214-L218 WeakPolarHBondContact O-CG 3.36Å; K214-L218 PolarHBondContact O-N 3Å; H215-L218 PolarHBondContact O-N 3.46Å; L218-H221 PolarHBondContact O-N 2.98Å; L218-S222 PolarHBondContact O-N 3.28Å; L218-S222 PolarHBondContact O-OG 3.23Å; L218-S222 VanDerWaalsContact O-OG 3.11Å; L218-I292 HydrophobicContact CB-CD1 4.19Å; L218-I292 HydrophobicContact CB-CG2 4.36Å
219	T	65.7	Low	64.1	Low	7 Å²	7	54.4 Å²	54.4	4%	0.043	27%	0.267	C	S	.	.	H	α-helix	trans	-64.1	-45.8	179.1	-59.3	0	0	0	0	111.6	H215 Y216 H221 S222 E223	H215-T219 PolarHBondContact CE1-OG1 3.3Å; H215-T219 WeakPolarHBondContact O-CB 3.43Å; H215-T219 PolarHBondContact O-N 2.9Å; H215-T219 PolarHBondContact O-OG1 3.47Å; Y216-T219 PolarHBondContact O-N 2.76Å; T219-H221 VanDerWaalsContact C-N 3.32Å; T219-H221 PolarHBondContact O-N 3.2Å; T219-S222 WeakPolarHBondContact CA-OG 3.33Å; T219-S222 PolarHBondContact O-N 2.89Å; T219-S222 PolarHBondContact O-OG 3.37Å; T219-E223 WeakPolarHBondContact O-CG 3.35Å; T219-E223 PolarHBondContact O-N 3.22Å
220	I	67.4	Low	64.8	Low	13 Å²	13	51.4 Å²	51.4	7%	0.067	25%	0.246	C	C	.	.	H	α-helix	trans	-60.7	-43.1	175.4	-73.4	177.3	0	0	0	111.1	T181 Y216 Q217 S222 E223 L224	T181-I220 WeakPolarHBondContact OG1-CG2 3.44Å; Y216-I220 HydrophobicContact CD1-CD1 3.75Å; Y216-I220 HydrophobicContact CE1-CD1 3.19Å; Y216-I220 HydrophobicContact CE1-CG1 4.28Å; Y216-I220 HydrophobicContact CE2-CD1 4.1Å; Y216-I220 HydrophobicContact CE2-CG1 4.48Å; Y216-I220 HydrophobicContact CG-CD1 4.41Å; Y216-I220 WeakPolarHBondContact O-CG1 3.45Å; Y216-I220 PolarHBondContact O-N 3.4Å; Q217-I220 PolarHBondContact O-N 2.96Å; I220-S222 VanDerWaalsContact C-N 3.33Å; I220-S222 PolarHBondContact O-N 2.84Å; I220-E223 PolarHBondContact O-N 2.97Å; I220-L224 HydrophobicContact CG2-CD1 4.02Å; I220-L224 HydrophobicContact CG2-CG 4.45Å; I220-L224 WeakPolarHBondContact O-CB 3.36Å; I220-L224 PolarHBondContact O-N 3.39Å
221	H	66.6	Low	65.3	Low	131 Å²	131	48 Å²	48	61%	0.606	23%	0.229	S	C	*	.	H	α-helix	trans	-61.8	-42.4	179.7	-173.3	69.4	0	0	0	111.8	Q217 L218 T219 L224 H225	Q217-H221 WeakPolarHBondContact O-CB 3.23Å; Q217-H221 PolarHBondContact O-N 3.4Å; L218-H221 PolarHBondContact O-N 2.98Å; T219-H221 VanDerWaalsContact C-N 3.32Å; T219-H221 PolarHBondContact O-N 3.2Å; H221-L224 WeakPolarHBondContact O-CB 3.36Å; H221-L224 PolarHBondContact O-N 3.33Å; H221-H225 PolarHBondContact O-N 2.91Å
222	S	66.1	Low	66.1	Low	9 Å²	9	48 Å²	48	6%	0.063	23%	0.228	C	C	.	.	H	α-helix	trans	-68.2	-36.2	174.4	54	0	0	0	0	113.5	L218 T219 I220 H225 L226 T285 I289	L218-S222 PolarHBondContact O-N 3.28Å; L218-S222 PolarHBondContact O-OG 3.23Å; L218-S222 VanDerWaalsContact O-OG 3.11Å; T219-S222 WeakPolarHBondContact CA-OG 3.33Å; T219-S222 PolarHBondContact O-N 2.89Å; T219-S222 PolarHBondContact O-OG 3.37Å; I220-S222 VanDerWaalsContact C-N 3.33Å; I220-S222 PolarHBondContact O-N 2.84Å; S222-H225 PolarHBondContact O-N 3.43Å; S222-L226 PolarHBondContact O-N 2.85Å; S222-T285 WeakPolarHBondContact O-CG2 3.4Å; S222-I289 WeakPolarHBondContact OG-CG1 3.17Å
223	E	68.7	Low	66.6	Low	18 Å²	18	44.7 Å²	44.7	8%	0.084	21%	0.214	C	C	.	.	H	α-helix	trans	-65.5	-39.3	174	-74.2	179.3	-175.6	0	0	111	W173 L177 T219 I220 L226 G227 R630	W173-E223 VanDerWaalsContact CH2-O 3.29Å; W173-E223 WeakPolarHBondContact CH2-O 3.46Å; W173-E223 HydrophobicContact CZ2-CB 4.18Å; L177-E223 HydrophobicContact CD1-CB 4.01Å; L177-E223 WeakPolarHBondContact CD1-O 3.39Å; L177-E223 HydrophobicContact CD2-CB 4.41Å; T219-E223 WeakPolarHBondContact O-CG 3.35Å; T219-E223 PolarHBondContact O-N 3.22Å; I220-E223 PolarHBondContact O-N 2.97Å; E223-L226 PolarHBondContact O-N 2.79Å; E223-G227 PolarHBondContact O-N 3.42Å; E223-R630 IonicContact OE1-CZ 2.78Å; E223-R630 IonicContact OE1-NH1 3Å; E223-R630 PolarHBondContact OE1-NH1 3.38Å
224	L	67.3	Low	66.9	Low	27 Å²	27	42.4 Å²	42.4	14%	0.141	20%	0.2	C	C	.	.	H	α-helix	trans	-61.5	-45	173.1	-85.3	166.4	0	0	0	111.9	F174 L177 I178 I220 H221 L226 G227 F228	F174-L224 HydrophobicContact CD2-CD2 4.2Å; F174-L224 HydrophobicContact CE2-CD2 4.19Å; L177-L224 HydrophobicContact CB-CD2 3.44Å; L177-L224 VanDerWaalsContact CB-CD2 3.44Å; L177-L224 HydrophobicContact CB-CG 3.94Å; L177-L224 HydrophobicContact CD1-CD2 4.36Å; L177-L224 HydrophobicContact CD1-CG 4.38Å; I178-L224 HydrophobicContact CG1-CD2 3.92Å; I220-L224 HydrophobicContact CG2-CD1 4.02Å; I220-L224 HydrophobicContact CG2-CG 4.45Å; I220-L224 WeakPolarHBondContact O-CB 3.36Å; I220-L224 PolarHBondContact O-N 3.39Å; H221-L224 WeakPolarHBondContact O-CB 3.36Å; H221-L224 PolarHBondContact O-N 3.33Å; L224-L226 VanDerWaalsContact C-N 3.31Å; L224-L226 PolarHBondContact O-N 3.34Å; L224-G227 PolarHBondContact O-N 2.93Å; L224-F228 PolarHBondContact O-N 3.43Å
225	H	68.7	Low	67.1	Low	78 Å²	78	41.7 Å²	41.7	36%	0.361	20%	0.197	S	C	.	.	H	α-helix	trans	-61.5	-42.3	176.9	-172.7	-99.9	0	0	0	111.2	H221 S222 G227 F228 V229 T285	H221-H225 PolarHBondContact O-N 2.91Å; S222-H225 PolarHBondContact O-N 3.43Å; H225-G227 VanDerWaalsContact C-N 3.32Å; H225-G227 PolarHBondContact O-N 3.43Å; H225-F228 PolarHBondContact O-N 3.43Å; H225-V229 VanDerWaalsContact O-CG2 3.27Å; H225-V229 WeakPolarHBondContact O-CG2 3.22Å; H225-V229 PolarHBondContact O-N 2.87Å; H225-T285 HydrophobicContact CB-CG2 4.24Å; H225-T285 PolarHBondContact CE1-OG1 3.37Å; H225-T285 PolarHBondContact ND1-OG1 3.32Å
226	L	67.5	Low	67.4	Low	7 Å²	7	42 Å²	42	4%	0.037	20%	0.199	C	C	.	.	H	α-helix	trans	-62.4	-40.5	175.7	-164.9	75.2	0	0	0	111.5	W173 S222 E223 L224 G230 Y282 T285 I286	W173-L226 HydrophobicContact CH2-CB 3.81Å; W173-L226 HydrophobicContact CH2-CD2 3.73Å; W173-L226 HydrophobicContact CH2-CG 4.02Å; W173-L226 HydrophobicContact CZ3-CB 4.08Å; W173-L226 HydrophobicContact CZ3-CD2 4.18Å; W173-L226 HydrophobicContact CZ3-CG 4.13Å; S222-L226 PolarHBondContact O-N 2.85Å; E223-L226 PolarHBondContact O-N 2.79Å; L224-L226 VanDerWaalsContact C-N 3.31Å; L224-L226 PolarHBondContact O-N 3.34Å; L226-G230 PolarHBondContact O-N 3.49Å; L226-Y282 HydrophobicContact CD1-CD1 4.42Å; L226-Y282 HydrophobicContact CD1-CD2 3.31Å; L226-Y282 HydrophobicContact CD1-CE1 4.5Å; L226-Y282 HydrophobicContact CD1-CE2 3.4Å; L226-Y282 VanDerWaalsContact CD1-CE2 3.4Å; L226-Y282 HydrophobicContact CD1-CG 3.85Å; L226-Y282 HydrophobicContact CD2-CE2 4.08Å; L226-Y282 HydrophobicContact CG-CD2 3.95Å; L226-Y282 HydrophobicContact CG-CE2 3.64Å; L226-T285 HydrophobicContact CB-CG2 3.93Å; L226-T285 HydrophobicContact CD1-CG2 3.99Å; L226-I286 HydrophobicContact CD1-CG1 4Å; L226-I286 HydrophobicContact CD2-CG1 4.36Å
227	G	64.3	Low	67.6	Low	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59	-48	173.6	0	0	0	0	0	112.2	W173 E223 L224 H225 G230 T231	W173-G227 VanDerWaalsContact CE3-CA 3.45Å; E223-G227 PolarHBondContact O-N 3.42Å; L224-G227 PolarHBondContact O-N 2.93Å; H225-G227 VanDerWaalsContact C-N 3.32Å; H225-G227 PolarHBondContact O-N 3.43Å; G227-G230 PolarHBondContact O-N 3.07Å; G227-T231 WeakPolarHBondContact O-CG2 3.4Å; G227-T231 PolarHBondContact O-N 3.31Å
228	F	69.2	Low	67.4	Low	101 Å²	101	34.3 Å²	34.3	44%	0.443	17%	0.166	S	C	.	.	H	α-helix	trans	-65.3	-42.9	179	-178	-104	0	0	0	113.4	F174 L224 H225 G230 T231 I232	F174-F228 HydrophobicContact CD2-CB 4.26Å; F174-F228 HydrophobicContact CE2-CB 3.97Å; F174-F228 HydrophobicContact CE2-CD2 4.34Å; F174-F228 HydrophobicContact CZ-CD2 4.29Å; L224-F228 PolarHBondContact O-N 3.43Å; H225-F228 PolarHBondContact O-N 3.43Å; F228-G230 VanDerWaalsContact C-N 3.31Å; F228-G230 PolarHBondContact O-N 2.89Å; F228-T231 PolarHBondContact O-N 2.95Å; F228-T231 PolarHBondContact O-OG1 2.71Å; F228-I232 HydrophobicContact CD1-CD1 3.99Å; F228-I232 HydrophobicContact CE1-CD1 3.42Å; F228-I232 VanDerWaalsContact CE1-CD1 3.42Å; F228-I232 HydrophobicContact CE1-CG1 4.45Å; F228-I232 HydrophobicContact CE2-CD1 4.33Å; F228-I232 HydrophobicContact CZ-CD1 3.62Å; F228-I232 HydrophobicContact CZ-CG1 4.42Å; F228-I232 WeakPolarHBondContact O-CG1 3.23Å; F228-I232 PolarHBondContact O-N 3.39Å
229	V	67.9	Low	67.4	Low	5 Å²	5	35.2 Å²	35.2	3%	0.03	17%	0.17	C	C	.	.	H	α-helix	trans	-65.3	-40.4	177.2	174.2	0	0	0	0	110.3	H225 I232 Y233 L278 V281	H225-V229 VanDerWaalsContact O-CG2 3.27Å; H225-V229 WeakPolarHBondContact O-CG2 3.22Å; H225-V229 PolarHBondContact O-N 2.87Å; V229-I232 PolarHBondContact O-N 2.99Å; V229-Y233 WeakPolarHBondContact O-CB 3.17Å; V229-Y233 PolarHBondContact O-N 3.15Å; V229-L278 HydrophobicContact CG1-CB 4.48Å; V229-L278 HydrophobicContact CG1-CD2 4.2Å; V229-L278 WeakPolarHBondContact CG1-O 3.23Å; V229-V281 HydrophobicContact CG1-CB 4.13Å; V229-V281 HydrophobicContact CG1-CG1 4.14Å; V229-V281 HydrophobicContact CG2-CB 4.43Å; V229-V281 HydrophobicContact CG2-CG1 3.57Å
230	G	66.4	Low	67	Low	2 Å²	2	36.9 Å²	36.9	2%	0.021	18%	0.176	C	C	.	.	H	α-helix	trans	-66.2	-34.4	176.5	0	0	0	0	0	113.9	L226 G227 F228 Y233 G234	L226-G230 PolarHBondContact O-N 3.49Å; G227-G230 PolarHBondContact O-N 3.07Å; F228-G230 VanDerWaalsContact C-N 3.31Å; F228-G230 PolarHBondContact O-N 2.89Å; G230-Y233 PolarHBondContact O-N 2.8Å; G230-G234 PolarHBondContact O-N 3.48Å
231	T	67	Low	66.7	Low	17 Å²	17	36.9 Å²	36.9	10%	0.104	18%	0.176	C	C	.	.	H	α-helix	trans	-65.7	-44.3	173.4	54.4	0	0	0	0	111.8	F167 H170 V171 G227 F228 Y233 G234 F235	F167-T231 WeakPolarHBondContact CD2-O 3.16Å; H170-T231 HydrophobicContact CB-CG2 3.58Å; V171-T231 HydrophobicContact CB-CG2 4.27Å; V171-T231 HydrophobicContact CG2-CG2 3.58Å; G227-T231 WeakPolarHBondContact O-CG2 3.4Å; G227-T231 PolarHBondContact O-N 3.31Å; F228-T231 PolarHBondContact O-N 2.95Å; F228-T231 PolarHBondContact O-OG1 2.71Å; T231-Y233 VanDerWaalsContact C-N 3.32Å; T231-Y233 PolarHBondContact O-N 3.48Å; T231-G234 PolarHBondContact O-N 2.92Å; T231-F235 WeakPolarHBondContact O-CB 3.44Å; T231-F235 PolarHBondContact O-N 3.43Å
232	I	71.2	Confident	66.1	Low	58 Å²	58	34.4 Å²	34.4	30%	0.297	17%	0.167	S	C	.	.	H	α-helix	trans	-62.6	-43.7	175.9	-60.9	175.3	0	0	0	109.9	F228 V229 F235 I236 L278	F228-I232 HydrophobicContact CD1-CD1 3.99Å; F228-I232 HydrophobicContact CE1-CD1 3.42Å; F228-I232 VanDerWaalsContact CE1-CD1 3.42Å; F228-I232 HydrophobicContact CE1-CG1 4.45Å; F228-I232 HydrophobicContact CE2-CD1 4.33Å; F228-I232 HydrophobicContact CZ-CD1 3.62Å; F228-I232 HydrophobicContact CZ-CG1 4.42Å; F228-I232 WeakPolarHBondContact O-CG1 3.23Å; F228-I232 PolarHBondContact O-N 3.39Å; V229-I232 PolarHBondContact O-N 2.99Å; I232-F235 PolarHBondContact O-N 2.86Å; I232-I236 HydrophobicContact CG2-CD1 3.88Å; I232-I236 HydrophobicContact CG2-CG1 4.36Å; I232-I236 WeakPolarHBondContact O-CG1 3.21Å; I232-I236 PolarHBondContact O-N 3.47Å; I232-L278 HydrophobicContact CB-CD1 4.25Å; I232-L278 HydrophobicContact CB-CD2 4.24Å; I232-L278 HydrophobicContact CG2-CD1 3.57Å; I232-L278 HydrophobicContact CG2-CD2 3.93Å; I232-L278 HydrophobicContact CG2-CG 4.42Å
233	Y	68.9	Low	65.4	Low	18 Å²	18	35.4 Å²	35.4	7%	0.071	17%	0.174	C	C	.	.	H	α-helix	trans	-58.8	-50.3	178	-176.9	-92.4	0	0	0	112	V229 G230 T231 F235 I236 I237 L275 L278 L279	V229-Y233 WeakPolarHBondContact O-CB 3.17Å; V229-Y233 PolarHBondContact O-N 3.15Å; G230-Y233 PolarHBondContact O-N 2.8Å; T231-Y233 VanDerWaalsContact C-N 3.32Å; T231-Y233 PolarHBondContact O-N 3.48Å; Y233-F235 VanDerWaalsContact C-N 3.35Å; Y233-F235 PolarHBondContact O-N 3.28Å; Y233-I236 PolarHBondContact O-N 3.32Å; Y233-I237 HydrophobicContact CD1-CD1 3.77Å; Y233-I237 HydrophobicContact CE1-CD1 3.19Å; Y233-I237 HydrophobicContact CE1-CG1 4.31Å; Y233-I237 HydrophobicContact CE2-CD1 4.49Å; Y233-I237 WeakPolarHBondContact O-CG1 3.37Å; Y233-I237 PolarHBondContact O-N 3.5Å; Y233-I237 VanDerWaalsContact O-N 3.15Å; Y233-L275 HydrophobicContact CD1-CD1 4.36Å; Y233-L275 HydrophobicContact CD2-CD1 3.32Å; Y233-L275 HydrophobicContact CD2-CG 4.02Å; Y233-L275 HydrophobicContact CE1-CD1 4.21Å; Y233-L275 HydrophobicContact CE2-CD1 3.12Å; Y233-L275 HydrophobicContact CE2-CD2 4.31Å; Y233-L275 HydrophobicContact CE2-CG 3.41Å; Y233-L275 VanDerWaalsContact CE2-CG 3.41Å; Y233-L275 HydrophobicContact CG-CD1 3.95Å; Y233-L278 HydrophobicContact CD2-CB 3.92Å; Y233-L279 HydrophobicContact CE2-CB 4.33Å
234	G	66.5	Low	64.4	Low	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-60.1	-43.3	177	0	0	0	0	0	112.5	G230 T231 I236 I237 S238	G230-G234 PolarHBondContact O-N 3.48Å; T231-G234 PolarHBondContact O-N 2.92Å; G234-I236 PolarHBondContact O-N 2.9Å; G234-I237 PolarHBondContact O-N 3.4Å; G234-S238 PolarHBondContact O-N 3.23Å; G234-S238 VanDerWaalsContact O-N 3.1Å; G234-S238 PolarHBondContact O-OG 3.07Å
235	F	71.1	Confident	63.2	Low	108 Å²	108	38.7 Å²	38.7	47%	0.474	20%	0.2	S	C	.	.	H	α-helix	trans	-59.3	-46.8	177.7	-179.9	-102.1	0	0	0	112.2	F167 T231 I232 Y233 I237 S238 M239	F167-F235 HydrophobicContact CD2-CB 3.9Å; F167-F235 HydrophobicContact CE2-CB 4Å; F167-F235 HydrophobicContact CE2-CD2 4.2Å; T231-F235 WeakPolarHBondContact O-CB 3.44Å; T231-F235 PolarHBondContact O-N 3.43Å; I232-F235 PolarHBondContact O-N 2.86Å; Y233-F235 VanDerWaalsContact C-N 3.35Å; Y233-F235 PolarHBondContact O-N 3.28Å; F235-I237 PolarHBondContact O-N 3.34Å; F235-S238 PolarHBondContact O-N 3.41Å; F235-M239 HydrophobicContact CD1-CG 4.33Å; F235-M239 HydrophobicContact CE1-CG 3.92Å; F235-M239 HydrophobicContact CE2-CG 4.23Å; F235-M239 HydrophobicContact CE2-SD 4.5Å; F235-M239 HydrophobicContact CZ-CG 3.86Å; F235-M239 HydrophobicContact CZ-SD 4.25Å; F235-M239 WeakPolarHBondContact O-CG 3.22Å; F235-M239 PolarHBondContact O-N 3.41Å
236	I	68.7	Low	61.4	Low	27 Å²	27	41.1 Å²	41.1	14%	0.138	22%	0.215	C	C	.	.	H	α-helix	trans	-66.6	-38.4	-178.1	-69.4	-177.3	0	0	0	111.8	I232 Y233 G234 M239 K240 T271 I274 L278	I232-I236 HydrophobicContact CG2-CD1 3.88Å; I232-I236 HydrophobicContact CG2-CG1 4.36Å; I232-I236 WeakPolarHBondContact O-CG1 3.21Å; I232-I236 PolarHBondContact O-N 3.47Å; Y233-I236 PolarHBondContact O-N 3.32Å; G234-I236 PolarHBondContact O-N 2.9Å; I236-M239 PolarHBondContact O-N 2.81Å; I236-K240 PolarHBondContact O-N 3.46Å; I236-T271 HydrophobicContact CG2-CG2 3.6Å; I236-I274 HydrophobicContact CD1-CB 4.39Å; I236-I274 HydrophobicContact CD1-CG2 3.35Å; I236-L278 HydrophobicContact CD1-CD1 3.61Å
237	I	67	Low	60	Low	5 Å²	5	43.6 Å²	43.6	3%	0.026	23%	0.227	C	C	.	.	H	α-helix	trans	-61.5	-48.5	174.5	-68.9	178.2	0	0	0	110.8	Y233 G234 F235 M239 K240 Q241 L275 I616	Y233-I237 HydrophobicContact CD1-CD1 3.77Å; Y233-I237 HydrophobicContact CE1-CD1 3.19Å; Y233-I237 HydrophobicContact CE1-CG1 4.31Å; Y233-I237 HydrophobicContact CE2-CD1 4.49Å; Y233-I237 WeakPolarHBondContact O-CG1 3.37Å; Y233-I237 PolarHBondContact O-N 3.5Å; Y233-I237 VanDerWaalsContact O-N 3.15Å; G234-I237 PolarHBondContact O-N 3.4Å; F235-I237 PolarHBondContact O-N 3.34Å; I237-M239 VanDerWaalsContact C-N 3.28Å; I237-M239 PolarHBondContact O-N 3.36Å; I237-K240 VanDerWaalsContact O-CB 3.3Å; I237-K240 WeakPolarHBondContact O-CB 3.41Å; I237-K240 PolarHBondContact O-N 2.9Å; I237-K240 VanDerWaalsContact O-N 3.16Å; I237-Q241 PolarHBondContact O-N 3.39Å; I237-Q241 PolarHBondContact O-OE1 3.38Å; I237-L275 HydrophobicContact CD1-CD1 3.81Å; I237-L275 HydrophobicContact CD1-CD2 4.36Å; I237-L275 HydrophobicContact CG1-CD1 3.37Å; I237-L275 HydrophobicContact CG1-CD2 4.07Å; I237-L275 HydrophobicContact CG1-CG 4.38Å; I237-I616 HydrophobicContact CD1-CD1 3.87Å; I237-I616 HydrophobicContact CD1-CG1 3.9Å; I237-I616 HydrophobicContact CG2-CD1 4.14Å
238	S	64.4	Low	58.5	Low	10 Å²	10	48 Å²	48	7%	0.07	25%	0.251	C	S	.	.	H	α-helix	trans	-58.9	-42	179.1	-65	0	0	0	0	111.4	G163 L164 G234 F235 Q241 L242	G163-S238 VanDerWaalsContact C-OG 3.28Å; L164-S238 PolarHBondContact N-OG 2.81Å; G234-S238 PolarHBondContact O-N 3.23Å; G234-S238 VanDerWaalsContact O-N 3.1Å; G234-S238 PolarHBondContact O-OG 3.07Å; F235-S238 PolarHBondContact O-N 3.41Å; S238-Q241 PolarHBondContact O-N 2.85Å; S238-L242 PolarHBondContact O-N 2.79Å
239	M	63.8	Low	57.2	Low	99 Å²	99	46.1 Å²	46.1	49%	0.488	25%	0.249	S	C	.	.	H	α-helix	trans	-67.4	-37.2	176.4	-69	-61.4	-63.6	0	0	113	F235 I236 I237 Q241 L242 S243	F235-M239 HydrophobicContact CD1-CG 4.33Å; F235-M239 HydrophobicContact CE1-CG 3.92Å; F235-M239 HydrophobicContact CE2-CG 4.23Å; F235-M239 HydrophobicContact CE2-SD 4.5Å; F235-M239 HydrophobicContact CZ-CG 3.86Å; F235-M239 HydrophobicContact CZ-SD 4.25Å; F235-M239 WeakPolarHBondContact O-CG 3.22Å; F235-M239 PolarHBondContact O-N 3.41Å; I236-M239 PolarHBondContact O-N 2.81Å; I237-M239 VanDerWaalsContact C-N 3.28Å; I237-M239 PolarHBondContact O-N 3.36Å; M239-Q241 PolarHBondContact O-N 3.48Å; M239-L242 PolarHBondContact O-N 2.96Å; M239-L242 HydrophobicContact SD-CD1 4.43Å; M239-S243 PolarHBondContact O-N 3.49Å
240	K	57.6	Low	55.9	Low	41 Å²	41	54.9 Å²	54.9	18%	0.178	29%	0.286	C	S	.	.	H	α-helix	trans	-51.9	-45.3	174.4	-166.3	-178.8	172.6	-174.1	0	110.6	I236 I237 S243 T271 E366	I236-K240 PolarHBondContact O-N 3.46Å; I237-K240 VanDerWaalsContact O-CB 3.3Å; I237-K240 WeakPolarHBondContact O-CB 3.41Å; I237-K240 PolarHBondContact O-N 2.9Å; I237-K240 VanDerWaalsContact O-N 3.16Å; K240-S243 PolarHBondContact O-N 3.29Å; K240-S243 PolarHBondContact O-OG 3.44Å; K240-T271 HydrophobicContact CB-CG2 3.66Å; K240-T271 HydrophobicContact CD-CG2 3.88Å; K240-T271 HydrophobicContact CG-CG2 3.69Å; K240-E366 IonicContact NZ-OE2 3.48Å; K240-E366 PolarHBondContact NZ-OE2 3.49Å; K240-E366 VanDerWaalsContact NZ-OE2 3.1Å
241	Q	60.9	Low	54.7	Low	14 Å²	14	59.5 Å²	59.5	7%	0.065	32%	0.318	C	S	.	.	H	α-helix	trans	-82.4	-20.2	-174.3	-75.5	141.3	3.3	0	0	114.5	Q159 F160 I237 S238 M239 S243 P245	Q159-Q241 PolarHBondContact O-OE1 3.37Å; Q159-Q241 VanDerWaalsContact OE1-NE2 3.13Å; F160-Q241 HydrophobicContact CB-CB 4.12Å; F160-Q241 HydrophobicContact CD2-CB 4.26Å; I237-Q241 PolarHBondContact O-N 3.39Å; I237-Q241 PolarHBondContact O-OE1 3.38Å; S238-Q241 PolarHBondContact O-N 2.85Å; M239-Q241 PolarHBondContact O-N 3.48Å; Q241-S243 PolarHBondContact O-N 3.2Å; Q241-P245 WeakPolarHBondContact O-CD 3.33Å; Q241-P245 WeakPolarHBondContact O-CG 3.28Å
242	L	55	Low	53.2	Low	79 Å²	79	60.8 Å²	60.8	41%	0.414	33%	0.326	S	S	.	.	H	α-helix	trans	-65.7	-30.5	167.1	-95.5	128.7	0	0	0	111.6	F160 S238 M239 L246	F160-L242 HydrophobicContact CE2-CD1 3.7Å; F160-L242 HydrophobicContact CE2-CG 4.36Å; F160-L242 HydrophobicContact CZ-CD1 4.37Å; S238-L242 PolarHBondContact O-N 2.79Å; M239-L242 PolarHBondContact O-N 2.96Å; M239-L242 HydrophobicContact SD-CD1 4.43Å; L242-L246 HydrophobicContact CD2-CD1 4.38Å; L242-L246 WeakPolarHBondContact O-CD1 3.49Å
243	S	50.8	Low	51.6	Low	30 Å²	30	63.6 Å²	63.6	21%	0.21	35%	0.346	C	S	.	.	H	α-helix	trans	-77.7	-22	-177.1	73.8	0	0	0	0	115.1	M239 K240 Q241	M239-S243 PolarHBondContact O-N 3.49Å; K240-S243 PolarHBondContact O-N 3.29Å; K240-S243 PolarHBondContact O-OG 3.44Å; Q241-S243 PolarHBondContact O-N 3.2Å
244	S	48.3	Very low	50.6	Low	56 Å²	56	69 Å²	69	39%	0.392	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-33.9	-172.4	81.3	0	0	0	0	116.3
245	P	41.1	Very low	49.3	Very low	58 Å²	58	76.1 Å²	76.1	38%	0.377	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-23.6	179.3	32.2	-26.1	0	0	0	113.9	Q241 I247	Q241-P245 WeakPolarHBondContact O-CD 3.33Å; Q241-P245 WeakPolarHBondContact O-CG 3.28Å; P245-I247 VanDerWaalsContact C-N 3.32Å; P245-I247 PolarHBondContact O-N 3.32Å
246	L	31.2	Very low	47.9	Very low	129 Å²	129	75.2 Å²	75.2	68%	0.675	42%	0.419	S	S	*	.	S	Bend	trans	-75.2	-16.2	-172.8	-95.9	90.1	0	0	0	114.6	L242 D248	L242-L246 HydrophobicContact CD2-CD1 4.38Å; L242-L246 WeakPolarHBondContact O-CD1 3.49Å; L246-D248 PolarHBondContact O-N 3Å
247	I	37.6	Very low	46.6	Very low	59 Å²	59	76.9 Å²	76.9	30%	0.303	43%	0.426	S	S	.	.			trans	-98.6	86.2	-179.9	-58.3	167.4	0	0	0	107.8	P245 P249 N264	P245-I247 VanDerWaalsContact C-N 3.32Å; P245-I247 PolarHBondContact O-N 3.32Å; I247-P249 VanDerWaalsContact O-CD 3.28Å; I247-P249 WeakPolarHBondContact O-CD 3.2Å; I247-N264 WeakPolarHBondContact CD1-ND2 3.3Å; I247-N264 WeakPolarHBondContact CD1-OD1 3.22Å
248	D	34.8	Very low	45.7	Very low	92 Å²	92	80.2 Å²	80.2	49%	0.492	45%	0.447	S	S	.	.			trans	-68.6	115.2	170	-147.1	-3.8	0	0	0	107.9	L246 K250 S251	L246-D248 PolarHBondContact O-N 3Å; D248-K250 PolarHBondContact O-N 3.4Å; D248-S251 PolarHBondContact O-N 2.77Å; D248-S251 PolarHBondContact O-OG 3.43Å
249	P	40.8	Very low	44.9	Very low	61 Å²	61	85 Å²	85	40%	0.396	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-5	-175	25.4	-33.2	0	0	0	113.3	I247 Q257 K371	I247-P249 VanDerWaalsContact O-CD 3.28Å; I247-P249 WeakPolarHBondContact O-CD 3.2Å; P249-Q257 PolarHBondContact O-NE2 3.19Å; P249-K371 HydrophobicContact CG-CD 4.17Å
250	K	41.4	Very low	44	Very low	190 Å²	190	82.1 Å²	82.1	83%	0.826	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-18.3	177.4	-77.7	-174.3	175.1	-177.4	0	114.3	D248	D248-K250 PolarHBondContact O-N 3.4Å
251	S	41.5	Very low	43.5	Very low	99 Å²	99	83 Å²	83	69%	0.692	46%	0.464	S	S	*	.	S	Bend	trans	-99.1	-4.1	-170.6	63.4	0	0	0	0	115.6	D248	D248-S251 PolarHBondContact O-N 2.77Å; D248-S251 PolarHBondContact O-OG 3.43Å
252	T	34.4	Very low	42.9	Very low	43 Å²	43	85.5 Å²	85.5	26%	0.264	48%	0.475	S	S	.	.	S	Bend	trans	-113	114.5	179.2	48.5	0	0	0	0	110.5	Q257 L260	T252-Q257 PolarHBondContact O-NE2 2.9Å; T252-L260 HydrophobicContact CG2-CD1 3.77Å
253	T	38	Very low	42.7	Very low	118 Å²	118	88.7 Å²	88.7	72%	0.724	48%	0.482	S	S	*	.			trans	-54.7	152.7	174.7	46.1	0	0	0	0	111.1	L255 D256	T253-L255 PolarHBondContact O-N 3.04Å; T253-D256 PolarHBondContact O-N 2.88Å
254	T	47.3	Very low	42.7	Very low	130 Å²	130	89.2 Å²	89.2	80%	0.798	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-13.2	-155.3	47.8	0	0	0	0	118
255	L	39.1	Very low	42.8	Very low	150 Å²	150	89.1 Å²	89.1	79%	0.785	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-26.8	-175.5	-149.5	76.5	0	0	0	114.1	T253	T253-L255 PolarHBondContact O-N 3.04Å
256	D	43	Very low	43.3	Very low	90 Å²	90	89.7 Å²	89.7	48%	0.481	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-6.9	-175.9	-85	-28.9	0	0	0	114.3	T253 T258 N259 L260	T253-D256 PolarHBondContact O-N 2.88Å; D256-T258 VanDerWaalsContact C-N 3.32Å; D256-T258 PolarHBondContact O-N 3.43Å; D256-N259 PolarHBondContact O-N 3.4Å; D256-L260 HydrophobicContact CB-CD1 4.22Å; D256-L260 WeakPolarHBondContact O-CB 3.46Å; D256-L260 WeakPolarHBondContact O-CD1 3.37Å; D256-L260 PolarHBondContact O-N 2.88Å
257	Q	41.1	Very low	44.5	Very low	61 Å²	61	87.1 Å²	87.1	29%	0.285	46%	0.46	S	S	.	.	H	α-helix	trans	-61.3	-39.4	-179.6	-70.7	-170.1	-12.9	0	0	112	P249 T252 L260 I261	P249-Q257 PolarHBondContact O-NE2 3.19Å; T252-Q257 PolarHBondContact O-NE2 2.9Å; Q257-L260 PolarHBondContact O-N 2.91Å; Q257-I261 HydrophobicContact CB-CD1 4.21Å; Q257-I261 WeakPolarHBondContact O-CB 3.43Å; Q257-I261 WeakPolarHBondContact O-CD1 3.27Å; Q257-I261 WeakPolarHBondContact O-CG1 3.33Å; Q257-I261 PolarHBondContact O-N 3.43Å
258	T	46.8	Very low	45.3	Very low	76 Å²	76	85 Å²	85	47%	0.466	45%	0.45	S	S	.	.	H	α-helix	trans	-64.5	-44.4	-179.6	53.6	0	0	0	0	111.9	D256 H262	D256-T258 VanDerWaalsContact C-N 3.32Å; D256-T258 PolarHBondContact O-N 3.43Å; T258-H262 VanDerWaalsContact O-CB 3.25Å; T258-H262 WeakPolarHBondContact O-CB 3.28Å; T258-H262 PolarHBondContact O-N 3.39Å
259	N	47.4	Very low	46.1	Very low	111 Å²	111	81.8 Å²	81.8	59%	0.594	43%	0.431	S	S	*	.	H	α-helix	trans	-66.6	-43	177.3	-77.2	-25.2	0	0	0	112.3	D256 R263	D256-N259 PolarHBondContact O-N 3.4Å; N259-R263 VanDerWaalsContact O-CB 3.31Å; N259-R263 WeakPolarHBondContact O-CB 3.34Å; N259-R263 PolarHBondContact O-N 3.08Å
260	L	46	Very low	47	Very low	37 Å²	37	83.6 Å²	83.6	19%	0.194	43%	0.433	C	S	.	.	H	α-helix	trans	-65.5	-42.5	177.1	-80.1	159.2	0	0	0	112	T252 D256 Q257 R263 N264	T252-L260 HydrophobicContact CG2-CD1 3.77Å; D256-L260 HydrophobicContact CB-CD1 4.22Å; D256-L260 WeakPolarHBondContact O-CB 3.46Å; D256-L260 WeakPolarHBondContact O-CD1 3.37Å; D256-L260 PolarHBondContact O-N 2.88Å; Q257-L260 PolarHBondContact O-N 2.91Å; L260-R263 PolarHBondContact O-N 2.92Å; L260-N264 WeakPolarHBondContact O-CB 3.34Å; L260-N264 PolarHBondContact O-N 2.93Å; L260-N264 PolarHBondContact O-OD1 3.3Å
261	I	47.1	Very low	47.8	Very low	61 Å²	61	75.3 Å²	75.3	31%	0.313	40%	0.398	S	S	.	.	H	α-helix	trans	-67.3	-43.1	177.6	-67.6	163.7	0	0	0	110.2	Q257 R263 N264 Y265 T370	Q257-I261 HydrophobicContact CB-CD1 4.21Å; Q257-I261 WeakPolarHBondContact O-CB 3.43Å; Q257-I261 WeakPolarHBondContact O-CD1 3.27Å; Q257-I261 WeakPolarHBondContact O-CG1 3.33Å; Q257-I261 PolarHBondContact O-N 3.43Å; I261-R263 VanDerWaalsContact C-N 3.32Å; I261-R263 PolarHBondContact O-N 3.45Å; I261-N264 PolarHBondContact O-N 2.88Å; I261-Y265 WeakPolarHBondContact O-CB 3.5Å; I261-Y265 PolarHBondContact O-N 3.39Å; I261-T370 HydrophobicContact CG2-CG2 4.27Å
262	H	48.7	Very low	48.6	Very low	65 Å²	65	72.3 Å²	72.3	30%	0.301	37%	0.372	S	S	.	.	H	α-helix	trans	-63.8	-38.4	175.6	-166.8	-54	0	0	0	111.6	T258 L266 Q344	T258-H262 VanDerWaalsContact O-CB 3.25Å; T258-H262 WeakPolarHBondContact O-CB 3.28Å; T258-H262 PolarHBondContact O-N 3.39Å; H262-L266 WeakPolarHBondContact O-CB 3.48Å; H262-L266 PolarHBondContact O-N 2.76Å; H262-Q344 PolarHBondContact CE1-NE2 3.29Å; H262-Q344 PolarHBondContact NE2-NE2 3.4Å
263	R	50.9	Low	50	Low	147 Å²	147	72.1 Å²	72.1	56%	0.555	37%	0.368	S	S	*	.	H	α-helix	trans	-64.1	-44.1	174	-171.2	-179.9	73.2	-178.2	3.4	111.4	N259 L260 I261 L266 L267	N259-R263 VanDerWaalsContact O-CB 3.31Å; N259-R263 WeakPolarHBondContact O-CB 3.34Å; N259-R263 PolarHBondContact O-N 3.08Å; L260-R263 PolarHBondContact O-N 2.92Å; I261-R263 VanDerWaalsContact C-N 3.32Å; I261-R263 PolarHBondContact O-N 3.45Å; R263-L266 PolarHBondContact O-N 3.23Å; R263-L267 WeakPolarHBondContact O-CB 3.34Å; R263-L267 PolarHBondContact O-N 3.23Å
264	N	50.8	Low	51.2	Low	40 Å²	40	70.3 Å²	70.3	21%	0.214	35%	0.353	C	S	.	.	H	α-helix	trans	-67.5	-40.1	178.9	-70.4	-9.8	0	0	0	112.1	I247 L260 I261 L267 C268	I247-N264 WeakPolarHBondContact CD1-ND2 3.3Å; I247-N264 WeakPolarHBondContact CD1-OD1 3.22Å; L260-N264 WeakPolarHBondContact O-CB 3.34Å; L260-N264 PolarHBondContact O-N 2.93Å; L260-N264 PolarHBondContact O-OD1 3.3Å; I261-N264 PolarHBondContact O-N 2.88Å; N264-L267 PolarHBondContact O-N 2.96Å; N264-C268 VanDerWaalsContact O-CB 3.26Å; N264-C268 WeakPolarHBondContact O-CB 3.21Å; N264-C268 PolarHBondContact O-N 2.89Å
265	Y	50.6	Low	51.8	Low	54 Å²	54	65.2 Å²	65.2	21%	0.212	32%	0.321	C	S	.	.	H	α-helix	trans	-60.6	-49.6	173.1	177.7	-93.7	0	0	0	110.8	I261 L267 C268 Y269 N364 C367 I368	I261-Y265 WeakPolarHBondContact O-CB 3.5Å; I261-Y265 PolarHBondContact O-N 3.39Å; Y265-L267 PolarHBondContact O-N 3.37Å; Y265-C268 PolarHBondContact O-N 3.03Å; Y265-Y269 VanDerWaalsContact O-CB 3.23Å; Y265-Y269 WeakPolarHBondContact O-CB 3.26Å; Y265-Y269 PolarHBondContact O-N 3.04Å; Y265-N364 HydrophobicContact CE2-CB 4.5Å; Y265-C367 HydrophobicContact CD2-CB 4.17Å; Y265-C367 HydrophobicContact CE2-CB 4.44Å; Y265-I368 HydrophobicContact CE2-CG1 4.47Å
266	L	51.7	Low	52.9	Low	70 Å²	70	59.4 Å²	59.4	37%	0.366	29%	0.29	S	S	.	.	H	α-helix	trans	-64	-40.1	178.9	-175.6	132.8	0	0	0	111.7	H262 R263 Y269 F270	H262-L266 WeakPolarHBondContact O-CB 3.48Å; H262-L266 PolarHBondContact O-N 2.76Å; R263-L266 PolarHBondContact O-N 3.23Å; L266-Y269 WeakPolarHBondContact O-CB 3.43Å; L266-Y269 PolarHBondContact O-N 3Å; L266-F270 HydrophobicContact CD1-CE2 3.97Å; L266-F270 HydrophobicContact CD2-CD2 3.54Å; L266-F270 HydrophobicContact CD2-CE2 3.5Å; L266-F270 VanDerWaalsContact CD2-CE2 3.5Å; L266-F270 HydrophobicContact CG-CD2 3.64Å; L266-F270 HydrophobicContact CG-CE2 3.5Å; L266-F270 VanDerWaalsContact CG-CE2 3.5Å; L266-F270 WeakPolarHBondContact O-CB 3.12Å; L266-F270 WeakPolarHBondContact O-CD2 2.97Å; L266-F270 PolarHBondContact O-N 2.98Å
267	L	55.2	Low	53.8	Low	75 Å²	75	56.3 Å²	56.3	39%	0.393	28%	0.28	S	S	.	.	H	α-helix	trans	-64	-47.4	174.9	-174.9	69.6	0	0	0	111.1	R263 N264 Y265 Y269 F270 T271	R263-L267 WeakPolarHBondContact O-CB 3.34Å; R263-L267 PolarHBondContact O-N 3.23Å; N264-L267 PolarHBondContact O-N 2.96Å; Y265-L267 PolarHBondContact O-N 3.37Å; L267-Y269 VanDerWaalsContact C-N 3.31Å; L267-Y269 PolarHBondContact O-N 2.85Å; L267-F270 PolarHBondContact O-N 3.06Å; L267-T271 WeakPolarHBondContact O-CB 3.21Å; L267-T271 PolarHBondContact O-N 3.06Å; L267-T271 PolarHBondContact O-OG1 3.49Å
268	C	53.7	Low	55	Low	15 Å²	15	54.5 Å²	54.5	10%	0.101	27%	0.272	C	S	.	.	H	α-helix	trans	-61.8	-40.8	176.7	-179.7	0	0	0	0	111.6	N264 Y265 T271 R272 C367	N264-C268 VanDerWaalsContact O-CB 3.26Å; N264-C268 WeakPolarHBondContact O-CB 3.21Å; N264-C268 PolarHBondContact O-N 2.89Å; Y265-C268 PolarHBondContact O-N 3.03Å; C268-T271 PolarHBondContact O-N 3.31Å; C268-R272 WeakPolarHBondContact O-CB 3.41Å; C268-R272 PolarHBondContact O-N 3.36Å; C268-C367 HydrophobicContact CB-CB 3.67Å; C268-C367 WeakPolarHBondContact CB-SG 3.35Å; C268-C367 WeakPolarHBondContact SG-CA 3.34Å; C268-C367 WeakPolarHBondContact SG-CB 3.34Å; C268-C367 CovalentContact SG-SG 2.04Å; C268-C367 PolarHBondContact SG-SG 2.93Å
269	Y	53.5	Low	55.9	Low	25 Å²	25	51.2 Å²	51.2	10%	0.098	25%	0.251	C	S	.	.	H	α-helix	trans	-59.8	-57.3	174.9	-179.6	-96.7	0	0	0	112	Y265 L266 L267 T271 R272 H273 L337 N364	Y265-Y269 VanDerWaalsContact O-CB 3.23Å; Y265-Y269 WeakPolarHBondContact O-CB 3.26Å; Y265-Y269 PolarHBondContact O-N 3.04Å; L266-Y269 WeakPolarHBondContact O-CB 3.43Å; L266-Y269 PolarHBondContact O-N 3Å; L267-Y269 VanDerWaalsContact C-N 3.31Å; L267-Y269 PolarHBondContact O-N 2.85Å; Y269-T271 VanDerWaalsContact C-N 3.28Å; Y269-T271 PolarHBondContact O-N 3.12Å; Y269-R272 PolarHBondContact O-N 2.98Å; Y269-H273 AromaticContact CD1-CD2 3.94Å; Y269-H273 AromaticContact CD2-CD2 3.8Å; Y269-H273 AromaticContact CD2-NE2 3.8Å; Y269-H273 AromaticContact CE1-CD2 3.61Å; Y269-H273 AromaticContact CE2-CD2 3.46Å; Y269-H273 VanDerWaalsContact CE2-CD2 3.46Å; Y269-H273 WeakPolarHBondContact CE2-CD2 3.46Å; Y269-H273 AromaticContact CE2-NE2 3.13Å; Y269-H273 WeakPolarHBondContact CE2-NE2 3.14Å; Y269-H273 AromaticContact CZ-CD2 3.35Å; Y269-H273 AromaticContact CZ-NE2 3.24Å; Y269-H273 PolarHBondContact O-CD2 3.18Å; Y269-H273 VanDerWaalsContact O-CD2 3.24Å; Y269-H273 PolarHBondContact O-N 2.81Å; Y269-H273 PolarHBondContact OH-NE2 3.27Å; Y269-L337 HydrophobicContact CE1-CD1 3.8Å; Y269-L337 HydrophobicContact CE1-CG 4.2Å; Y269-L337 WeakPolarHBondContact OH-CA 3.47Å; Y269-L337 WeakPolarHBondContact OH-CB 3.49Å; Y269-L337 WeakPolarHBondContact OH-CD1 3.28Å; Y269-L337 VanDerWaalsContact OH-CG 3.23Å; Y269-L337 WeakPolarHBondContact OH-CG 3.43Å; Y269-N364 WeakPolarHBondContact CD2-ND2 2.76Å
270	F	57.7	Low	56.6	Low	99 Å²	99	46.5 Å²	46.5	43%	0.434	23%	0.226	S	C	.	.	H	α-helix	trans	-59	-42.8	177.9	-84.1	-63.9	0	0	0	111.3	L266 L267 R272 H273 I274	L266-F270 HydrophobicContact CD1-CE2 3.97Å; L266-F270 HydrophobicContact CD2-CD2 3.54Å; L266-F270 HydrophobicContact CD2-CE2 3.5Å; L266-F270 VanDerWaalsContact CD2-CE2 3.5Å; L266-F270 HydrophobicContact CG-CD2 3.64Å; L266-F270 HydrophobicContact CG-CE2 3.5Å; L266-F270 VanDerWaalsContact CG-CE2 3.5Å; L266-F270 WeakPolarHBondContact O-CB 3.12Å; L266-F270 WeakPolarHBondContact O-CD2 2.97Å; L266-F270 PolarHBondContact O-N 2.98Å; L267-F270 PolarHBondContact O-N 3.06Å; F270-R272 PolarHBondContact O-N 3.25Å; F270-H273 PolarHBondContact O-N 3.37Å; F270-I274 HydrophobicContact CB-CD1 4.36Å; F270-I274 WeakPolarHBondContact O-CB 3.13Å; F270-I274 WeakPolarHBondContact O-CD1 3.43Å; F270-I274 WeakPolarHBondContact O-CG1 3.47Å; F270-I274 PolarHBondContact O-N 3.39Å
271	T	59.2	Low	57.5	Low	15 Å²	15	47 Å²	47	9%	0.092	23%	0.231	C	C	.	.	H	α-helix	trans	-61.1	-44.7	179.1	-59.3	0	0	0	0	111.6	I236 K240 L267 C268 Y269 L275	I236-T271 HydrophobicContact CG2-CG2 3.6Å; K240-T271 HydrophobicContact CB-CG2 3.66Å; K240-T271 HydrophobicContact CD-CG2 3.88Å; K240-T271 HydrophobicContact CG-CG2 3.69Å; L267-T271 WeakPolarHBondContact O-CB 3.21Å; L267-T271 PolarHBondContact O-N 3.06Å; L267-T271 PolarHBondContact O-OG1 3.49Å; C268-T271 PolarHBondContact O-N 3.31Å; Y269-T271 VanDerWaalsContact C-N 3.28Å; Y269-T271 PolarHBondContact O-N 3.12Å; T271-L275 WeakPolarHBondContact O-CB 3.47Å; T271-L275 PolarHBondContact O-N 3.41Å
272	R	57.7	Low	58.4	Low	37 Å²	37	44.8 Å²	44.8	14%	0.14	22%	0.219	C	C	.	.	H	α-helix	trans	-60.8	-48.6	175.8	-179.9	-177.8	172.6	-176.7	1	111.2	C268 Y269 F270 L275 L276 N364 E394	C268-R272 WeakPolarHBondContact O-CB 3.41Å; C268-R272 PolarHBondContact O-N 3.36Å; Y269-R272 PolarHBondContact O-N 2.98Å; F270-R272 PolarHBondContact O-N 3.25Å; R272-L275 PolarHBondContact O-N 2.93Å; R272-L276 WeakPolarHBondContact O-CB 3.42Å; R272-L276 PolarHBondContact O-N 3.34Å; R272-N364 PolarHBondContact NH1-OD1 3.25Å; R272-E394 IonicContact NH2-OE1 2.69Å
273	H	63.5	Low	59.2	Low	38 Å²	38	41.9 Å²	41.9	18%	0.176	21%	0.205	C	C	.	.	H	α-helix	trans	-68	-38.7	-177.5	-77.8	-69.7	0	0	0	112.9	Y269 F270 G277	Y269-H273 AromaticContact CD1-CD2 3.94Å; Y269-H273 AromaticContact CD2-CD2 3.8Å; Y269-H273 AromaticContact CD2-NE2 3.8Å; Y269-H273 AromaticContact CE1-CD2 3.61Å; Y269-H273 AromaticContact CE2-CD2 3.46Å; Y269-H273 VanDerWaalsContact CE2-CD2 3.46Å; Y269-H273 WeakPolarHBondContact CE2-CD2 3.46Å; Y269-H273 AromaticContact CE2-NE2 3.13Å; Y269-H273 WeakPolarHBondContact CE2-NE2 3.14Å; Y269-H273 AromaticContact CZ-CD2 3.35Å; Y269-H273 AromaticContact CZ-NE2 3.24Å; Y269-H273 PolarHBondContact O-CD2 3.18Å; Y269-H273 VanDerWaalsContact O-CD2 3.24Å; Y269-H273 PolarHBondContact O-N 2.81Å; Y269-H273 PolarHBondContact OH-NE2 3.27Å; F270-H273 PolarHBondContact O-N 3.37Å; H273-G277 PolarHBondContact O-N 3.31Å
274	I	63.6	Low	59.9	Low	80 Å²	80	37.6 Å²	37.6	41%	0.41	19%	0.193	S	C	.	.	H	α-helix	trans	-67.1	-43.9	174.4	-64.7	164.1	0	0	0	110.3	I236 F270 L276 G277 L278	I236-I274 HydrophobicContact CD1-CB 4.39Å; I236-I274 HydrophobicContact CD1-CG2 3.35Å; F270-I274 HydrophobicContact CB-CD1 4.36Å; F270-I274 WeakPolarHBondContact O-CB 3.13Å; F270-I274 WeakPolarHBondContact O-CD1 3.43Å; F270-I274 WeakPolarHBondContact O-CG1 3.47Å; F270-I274 PolarHBondContact O-N 3.39Å; I274-L276 VanDerWaalsContact C-N 3.31Å; I274-L276 PolarHBondContact O-N 3.26Å; I274-G277 CarbonylContact O-C 3.5Å; I274-G277 WeakPolarHBondContact O-CA 3.31Å; I274-G277 PolarHBondContact O-N 2.9Å; I274-G277 VanDerWaalsContact O-N 3.13Å; I274-L278 HydrophobicContact CG2-CD1 3.97Å; I274-L278 HydrophobicContact CG2-CG 4.31Å; I274-L278 WeakPolarHBondContact O-CG 3.49Å; I274-L278 PolarHBondContact O-N 3.12Å
275	L	61	Low	60.6	Low	24 Å²	24	36 Å²	36	13%	0.126	18%	0.184	C	C	.	.	H	α-helix	trans	-59.2	-46.7	178.9	-171.6	72.8	0	0	0	111.4	Y233 I237 T271 R272 G277 L278 L279	Y233-L275 HydrophobicContact CD1-CD1 4.36Å; Y233-L275 HydrophobicContact CD2-CD1 3.32Å; Y233-L275 HydrophobicContact CD2-CG 4.02Å; Y233-L275 HydrophobicContact CE1-CD1 4.21Å; Y233-L275 HydrophobicContact CE2-CD1 3.12Å; Y233-L275 HydrophobicContact CE2-CD2 4.31Å; Y233-L275 HydrophobicContact CE2-CG 3.41Å; Y233-L275 VanDerWaalsContact CE2-CG 3.41Å; Y233-L275 HydrophobicContact CG-CD1 3.95Å; I237-L275 HydrophobicContact CD1-CD1 3.81Å; I237-L275 HydrophobicContact CD1-CD2 4.36Å; I237-L275 HydrophobicContact CG1-CD1 3.37Å; I237-L275 HydrophobicContact CG1-CD2 4.07Å; I237-L275 HydrophobicContact CG1-CG 4.38Å; T271-L275 WeakPolarHBondContact O-CB 3.47Å; T271-L275 PolarHBondContact O-N 3.41Å; R272-L275 PolarHBondContact O-N 2.93Å; L275-G277 VanDerWaalsContact C-N 3.32Å; L275-L278 PolarHBondContact O-N 3Å; L275-L279 PolarHBondContact O-N 3.42Å
276	L	61.5	Low	61.4	Low	28 Å²	28	33.6 Å²	33.6	15%	0.147	18%	0.175	C	C	.	.	H	α-helix	trans	-66.1	-38.1	177.3	-166.5	66.2	0	0	0	111	R272 I274 L279 T280 R333	R272-L276 WeakPolarHBondContact O-CB 3.42Å; R272-L276 PolarHBondContact O-N 3.34Å; I274-L276 VanDerWaalsContact C-N 3.31Å; I274-L276 PolarHBondContact O-N 3.26Å; L276-L279 WeakPolarHBondContact O-CB 3.38Å; L276-L279 PolarHBondContact O-N 2.9Å; L276-T280 WeakPolarHBondContact O-CG2 3.44Å; L276-T280 PolarHBondContact O-N 3.36Å; L276-R333 VanDerWaalsContact CG-NH1 3.27Å
277	G	63.3	Low	62.2	Low	25 Å²	25	30.3 Å²	30.3	26%	0.258	16%	0.158	S	C	.	.	H	α-helix	trans	-56.7	-48.3	169.1	0	0	0	0	0	112.8	H273 I274 L275 L279 T280 V281	H273-G277 PolarHBondContact O-N 3.31Å; I274-G277 CarbonylContact O-C 3.5Å; I274-G277 WeakPolarHBondContact O-CA 3.31Å; I274-G277 PolarHBondContact O-N 2.9Å; I274-G277 VanDerWaalsContact O-N 3.13Å; L275-G277 VanDerWaalsContact C-N 3.32Å; G277-L279 PolarHBondContact O-N 2.82Å; G277-T280 WeakPolarHBondContact O-CA 3.33Å; G277-T280 WeakPolarHBondContact O-CB 3.27Å; G277-T280 PolarHBondContact O-N 2.98Å; G277-T280 VanDerWaalsContact O-N 3.09Å; G277-T280 PolarHBondContact O-OG1 2.86Å; G277-V281 WeakPolarHBondContact O-CG2 3.18Å; G277-V281 PolarHBondContact O-N 3.28Å; G277-V281 VanDerWaalsContact O-N 3.12Å
278	L	64.6	Low	62.7	Low	22 Å²	22	30.2 Å²	30.2	12%	0.115	16%	0.157	C	C	.	.	H	α-helix	trans	-65.9	-38	177.9	-72.1	167.7	0	0	0	112.3	V229 I232 Y233 I236 I274 L275 T280 V281 Y282	V229-L278 HydrophobicContact CG1-CB 4.48Å; V229-L278 HydrophobicContact CG1-CD2 4.2Å; V229-L278 WeakPolarHBondContact CG1-O 3.23Å; I232-L278 HydrophobicContact CB-CD1 4.25Å; I232-L278 HydrophobicContact CB-CD2 4.24Å; I232-L278 HydrophobicContact CG2-CD1 3.57Å; I232-L278 HydrophobicContact CG2-CD2 3.93Å; I232-L278 HydrophobicContact CG2-CG 4.42Å; Y233-L278 HydrophobicContact CD2-CB 3.92Å; I236-L278 HydrophobicContact CD1-CD1 3.61Å; I274-L278 HydrophobicContact CG2-CD1 3.97Å; I274-L278 HydrophobicContact CG2-CG 4.31Å; I274-L278 WeakPolarHBondContact O-CG 3.49Å; I274-L278 PolarHBondContact O-N 3.12Å; L275-L278 PolarHBondContact O-N 3Å; L278-T280 PolarHBondContact O-N 3.31Å; L278-V281 PolarHBondContact O-N 2.84Å; L278-V281 VanDerWaalsContact O-N 3.16Å; L278-Y282 WeakPolarHBondContact O-CB 3.28Å; L278-Y282 PolarHBondContact O-N 2.97Å
279	L	65.8	Low	63.3	Low	8 Å²	8	29.7 Å²	29.7	4%	0.042	15%	0.153	C	C	.	.	H	α-helix	trans	-59.4	-38.2	171.7	-169.5	69.5	0	0	0	110.8	Y233 L275 L276 G277 Y282 W283 E615	Y233-L279 HydrophobicContact CE2-CB 4.33Å; L275-L279 PolarHBondContact O-N 3.42Å; L276-L279 WeakPolarHBondContact O-CB 3.38Å; L276-L279 PolarHBondContact O-N 2.9Å; G277-L279 PolarHBondContact O-N 2.82Å; L279-Y282 WeakPolarHBondContact O-CB 3.43Å; L279-Y282 PolarHBondContact O-N 2.71Å; L279-W283 PolarHBondContact O-N 3.45Å; L279-E615 VanDerWaalsContact CD2-OE1 3.32Å; L279-E615 WeakPolarHBondContact CD2-OE1 3.31Å
280	T	63.2	Low	64	Low	11 Å²	11	28.6 Å²	28.6	7%	0.067	15%	0.149	C	C	.	.	H	α-helix	trans	-61.6	-45.8	174	81.4	0	0	0	0	112	L276 G277 L278 Y282 W283 I284 W326	L276-T280 WeakPolarHBondContact O-CG2 3.44Å; L276-T280 PolarHBondContact O-N 3.36Å; G277-T280 WeakPolarHBondContact O-CA 3.33Å; G277-T280 WeakPolarHBondContact O-CB 3.27Å; G277-T280 PolarHBondContact O-N 2.98Å; G277-T280 VanDerWaalsContact O-N 3.09Å; G277-T280 PolarHBondContact O-OG1 2.86Å; L278-T280 PolarHBondContact O-N 3.31Å; T280-Y282 VanDerWaalsContact C-N 3.3Å; T280-Y282 PolarHBondContact O-N 2.81Å; T280-W283 PolarHBondContact O-N 3Å; T280-I284 VanDerWaalsContact O-CG1 3.3Å; T280-I284 WeakPolarHBondContact O-CG1 3.43Å; T280-I284 PolarHBondContact O-N 2.99Å; T280-W326 VanDerWaalsContact CA-CH2 3.48Å; T280-W326 VanDerWaalsContact CB-CH2 3.41Å; T280-W326 HydrophobicContact CG2-CE3 3.73Å; T280-W326 HydrophobicContact CG2-CH2 3.44Å; T280-W326 VanDerWaalsContact CG2-CH2 3.44Å; T280-W326 HydrophobicContact CG2-CZ3 2.98Å
281	V	64.2	Low	64.4	Low	49 Å²	49	25.7 Å²	25.7	30%	0.297	14%	0.138	S	C	.	.	H	α-helix	trans	-66.2	-37	-179.5	-180	0	0	0	0	110.6	V229 G277 L278 I284 T285	V229-V281 HydrophobicContact CG1-CB 4.13Å; V229-V281 HydrophobicContact CG1-CG1 4.14Å; V229-V281 HydrophobicContact CG2-CB 4.43Å; V229-V281 HydrophobicContact CG2-CG1 3.57Å; G277-V281 WeakPolarHBondContact O-CG2 3.18Å; G277-V281 PolarHBondContact O-N 3.28Å; G277-V281 VanDerWaalsContact O-N 3.12Å; L278-V281 PolarHBondContact O-N 2.84Å; L278-V281 VanDerWaalsContact O-N 3.16Å; V281-I284 PolarHBondContact O-N 2.87Å; V281-T285 WeakPolarHBondContact O-CB 3.36Å; V281-T285 PolarHBondContact O-N 3.39Å; V281-T285 PolarHBondContact O-OG1 3.43Å
282	Y	66.2	Low	64.8	Low	14 Å²	14	26.4 Å²	26.4	6%	0.055	14%	0.141	C	C	.	.	H	α-helix	trans	-59.2	-48.7	173.5	-176.7	-91.6	0	0	0	111.1	L226 L278 L279 T280 T285 I286	L226-Y282 HydrophobicContact CD1-CD1 4.42Å; L226-Y282 HydrophobicContact CD1-CD2 3.31Å; L226-Y282 HydrophobicContact CD1-CE1 4.5Å; L226-Y282 HydrophobicContact CD1-CE2 3.4Å; L226-Y282 VanDerWaalsContact CD1-CE2 3.4Å; L226-Y282 HydrophobicContact CD1-CG 3.85Å; L226-Y282 HydrophobicContact CD2-CE2 4.08Å; L226-Y282 HydrophobicContact CG-CD2 3.95Å; L226-Y282 HydrophobicContact CG-CE2 3.64Å; L278-Y282 WeakPolarHBondContact O-CB 3.28Å; L278-Y282 PolarHBondContact O-N 2.97Å; L279-Y282 WeakPolarHBondContact O-CB 3.43Å; L279-Y282 PolarHBondContact O-N 2.71Å; T280-Y282 VanDerWaalsContact C-N 3.3Å; T280-Y282 PolarHBondContact O-N 2.81Å; Y282-T285 WeakPolarHBondContact O-CB 3.23Å; Y282-T285 PolarHBondContact O-N 2.77Å; Y282-I286 HydrophobicContact CD1-CD1 3.79Å; Y282-I286 HydrophobicContact CE1-CD1 3.24Å; Y282-I286 HydrophobicContact CE1-CG1 4.27Å; Y282-I286 PolarHBondContact O-N 3.31Å
283	W	66.4	Low	65.2	Low	3 Å²	3	25.1 Å²	25.1	1%	0.011	14%	0.137	C	C	.	.	H	α-helix	trans	-65.1	-40.8	177.2	-78.1	117.6	0	0	0	113.8	L279 T280 T285 I286 F287 W326 N406 V409 L554	L279-W283 PolarHBondContact O-N 3.45Å; T280-W283 PolarHBondContact O-N 3Å; W283-T285 VanDerWaalsContact C-N 3.25Å; W283-T285 PolarHBondContact O-N 2.85Å; W283-I286 HydrophobicContact CE3-CD1 4.29Å; W283-I286 HydrophobicContact CZ3-CD1 4.36Å; W283-I286 PolarHBondContact O-N 3.2Å; W283-F287 WeakPolarHBondContact O-CB 3.21Å; W283-F287 PolarHBondContact O-N 2.74Å; W283-W326 HydrophobicContact CB-CZ2 3.96Å; W283-W326 HydrophobicContact CG-CZ2 4.49Å; W283-N406 WeakPolarHBondContact CH2-OD1 3.5Å; W283-N406 WeakPolarHBondContact CZ2-OD1 3.42Å; W283-V409 HydrophobicContact CE3-CG2 3.95Å; W283-V409 HydrophobicContact CZ3-CB 4.14Å; W283-V409 HydrophobicContact CZ3-CG1 4.02Å; W283-V409 HydrophobicContact CZ3-CG2 4.06Å; W283-L554 HydrophobicContact CH2-CD1 3.64Å; W283-L554 HydrophobicContact CZ2-CD1 3.39Å
284	I	65.6	Low	65.3	Low	58 Å²	58	23.7 Å²	23.7	30%	0.297	13%	0.131	S	C	.	.	H	α-helix	trans	-58.2	-43	174.1	-69.4	162.9	0	0	0	110	T280 V281 F287 I288 F322	T280-I284 VanDerWaalsContact O-CG1 3.3Å; T280-I284 WeakPolarHBondContact O-CG1 3.43Å; T280-I284 PolarHBondContact O-N 2.99Å; V281-I284 PolarHBondContact O-N 2.87Å; I284-F287 PolarHBondContact O-N 3.14Å; I284-I288 HydrophobicContact CG2-CD1 3.74Å; I284-I288 HydrophobicContact CG2-CG1 4.41Å; I284-I288 VanDerWaalsContact O-CG1 3.26Å; I284-I288 WeakPolarHBondContact O-CG1 3.15Å; I284-I288 PolarHBondContact O-N 2.86Å; I284-F322 HydrophobicContact CB-CE1 4.47Å; I284-F322 HydrophobicContact CG1-CE1 3.87Å; I284-F322 HydrophobicContact CG1-CZ 4.26Å
285	T	64.8	Low	65.4	Low	5 Å²	5	25.8 Å²	25.8	3%	0.031	14%	0.139	C	C	.	.	H	α-helix	trans	-65.8	-43.5	-180	-52.2	0	0	0	0	111.4	S222 H225 L226 V281 Y282 W283 F287 I288 I289	S222-T285 WeakPolarHBondContact O-CG2 3.4Å; H225-T285 HydrophobicContact CB-CG2 4.24Å; H225-T285 PolarHBondContact CE1-OG1 3.37Å; H225-T285 PolarHBondContact ND1-OG1 3.32Å; L226-T285 HydrophobicContact CB-CG2 3.93Å; L226-T285 HydrophobicContact CD1-CG2 3.99Å; V281-T285 WeakPolarHBondContact O-CB 3.36Å; V281-T285 PolarHBondContact O-N 3.39Å; V281-T285 PolarHBondContact O-OG1 3.43Å; Y282-T285 WeakPolarHBondContact O-CB 3.23Å; Y282-T285 PolarHBondContact O-N 2.77Å; W283-T285 VanDerWaalsContact C-N 3.25Å; W283-T285 PolarHBondContact O-N 2.85Å; T285-F287 VanDerWaalsContact C-N 3.34Å; T285-F287 PolarHBondContact O-N 3.27Å; T285-I288 PolarHBondContact O-N 3.48Å; T285-I289 HydrophobicContact CG2-CD1 4.36Å; T285-I289 VanDerWaalsContact O-CG1 3.3Å; T285-I289 WeakPolarHBondContact O-CG1 3.46Å; T285-I289 PolarHBondContact O-N 3.47Å
286	I	68	Low	65.5	Low	4 Å²	4	25.2 Å²	25.2	2%	0.021	14%	0.135	C	C	.	.	H	α-helix	trans	-59.4	-45.8	173.6	-71.7	178.2	0	0	0	111	L226 Y282 W283 I288 I289 I290 V409 L547 L550	L226-I286 HydrophobicContact CD1-CG1 4Å; L226-I286 HydrophobicContact CD2-CG1 4.36Å; Y282-I286 HydrophobicContact CD1-CD1 3.79Å; Y282-I286 HydrophobicContact CE1-CD1 3.24Å; Y282-I286 HydrophobicContact CE1-CG1 4.27Å; Y282-I286 PolarHBondContact O-N 3.31Å; W283-I286 HydrophobicContact CE3-CD1 4.29Å; W283-I286 HydrophobicContact CZ3-CD1 4.36Å; W283-I286 PolarHBondContact O-N 3.2Å; I286-I288 PolarHBondContact O-N 3.23Å; I286-I289 WeakPolarHBondContact O-CB 3.29Å; I286-I289 PolarHBondContact O-N 2.8Å; I286-I290 HydrophobicContact CG2-CD1 3.83Å; I286-I290 HydrophobicContact CG2-CG1 4.46Å; I286-I290 VanDerWaalsContact O-CG1 3.26Å; I286-I290 WeakPolarHBondContact O-CG1 3.33Å; I286-I290 PolarHBondContact O-N 3.34Å; I286-V409 HydrophobicContact CG2-CG1 4.11Å; I286-V409 HydrophobicContact CG2-CG2 4.38Å; I286-L547 HydrophobicContact CG2-CD2 3.83Å; I286-L550 HydrophobicContact CD1-CD2 4.34Å
287	F	67	Low	65.5	Low	2 Å²	2	24 Å²	24	1%	0.009	13%	0.128	C	C	.	.	H	α-helix	trans	-62.7	-41.4	179.4	-175.5	-105.1	0	0	0	112.3	W283 I284 T285 I289 I290 L291 Y319 F322 V409 I412	W283-F287 WeakPolarHBondContact O-CB 3.21Å; W283-F287 PolarHBondContact O-N 2.74Å; I284-F287 PolarHBondContact O-N 3.14Å; T285-F287 VanDerWaalsContact C-N 3.34Å; T285-F287 PolarHBondContact O-N 3.27Å; F287-I289 PolarHBondContact O-N 3.35Å; F287-I290 WeakPolarHBondContact O-CB 3.4Å; F287-I290 PolarHBondContact O-N 3.28Å; F287-L291 HydrophobicContact CD1-CD1 3.76Å; F287-L291 HydrophobicContact CD1-CG 4.43Å; F287-L291 HydrophobicContact CE1-CD1 3.52Å; F287-L291 HydrophobicContact CE1-CG 4.29Å; F287-L291 HydrophobicContact CZ-CD1 4.14Å; F287-L291 WeakPolarHBondContact O-CG 3.35Å; F287-L291 PolarHBondContact O-N 3.48Å; F287-Y319 AromaticContact CE1-CD2 3.69Å; F287-Y319 HydrophobicContact CE1-CD2 3.69Å; F287-Y319 HydrophobicContact CE1-CE2 4.42Å; F287-Y319 HydrophobicContact CZ-CD2 4.47Å; F287-F322 HydrophobicContact CB-CE1 4.02Å; F287-F322 HydrophobicContact CB-CE2 4.21Å; F287-F322 HydrophobicContact CB-CZ 3.75Å; F287-F322 AromaticContact CD1-CD1 3.67Å; F287-F322 HydrophobicContact CD1-CD1 3.67Å; F287-F322 AromaticContact CD1-CE1 3.75Å; F287-F322 HydrophobicContact CD1-CE1 3.75Å; F287-F322 HydrophobicContact CD1-CG 4.08Å; F287-F322 HydrophobicContact CD1-CZ 4.24Å; F287-F322 HydrophobicContact CD2-CD2 4.05Å; F287-F322 HydrophobicContact CD2-CE2 4.09Å; F287-F322 HydrophobicContact CD2-CG 4.29Å; F287-F322 HydrophobicContact CD2-CZ 4.38Å; F287-F322 HydrophobicContact CE1-CB 3.99Å; F287-F322 AromaticContact CE1-CD1 3.71Å; F287-F322 HydrophobicContact CE1-CD1 3.71Å; F287-F322 HydrophobicContact CE1-CE1 4.28Å; F287-F322 AromaticContact CE1-CG 3.86Å; F287-F322 HydrophobicContact CE1-CG 3.86Å; F287-F322 HydrophobicContact CE2-CB 4.24Å; F287-F322 HydrophobicContact CE2-CD2 4.07Å; F287-F322 HydrophobicContact CE2-CG 4.08Å; F287-F322 HydrophobicContact CG-CD1 4.11Å; F287-F322 HydrophobicContact CG-CD2 4.28Å; F287-F322 AromaticContact CG-CE1 3.93Å; F287-F322 HydrophobicContact CG-CE1 3.93Å; F287-F322 HydrophobicContact CG-CE2 4.11Å; F287-F322 HydrophobicContact CG-CG 4.28Å; F287-F322 AromaticContact CG-CZ 3.92Å; F287-F322 HydrophobicContact CG-CZ 3.92Å; F287-F322 HydrophobicContact CZ-CB 3.78Å; F287-F322 HydrophobicContact CZ-CD1 4.25Å; F287-F322 HydrophobicContact CZ-CD2 4.36Å; F287-F322 AromaticContact CZ-CG 3.91Å; F287-F322 HydrophobicContact CZ-CG 3.91Å; F287-V409 HydrophobicContact CD2-CG2 4.36Å; F287-I412 HydrophobicContact CD2-CD1 3.99Å; F287-I412 HydrophobicContact CE2-CD1 3.24Å; F287-I412 HydrophobicContact CZ-CD1 4Å
288	I	66.8	Low	65.4	Low	72 Å²	72	26.3 Å²	26.3	37%	0.369	13%	0.131	S	C	.	.	H	α-helix	trans	-61.3	-43.9	173.9	-70	166.7	0	0	0	111.1	I284 T285 I286 I290 L291 I292	I284-I288 HydrophobicContact CG2-CD1 3.74Å; I284-I288 HydrophobicContact CG2-CG1 4.41Å; I284-I288 VanDerWaalsContact O-CG1 3.26Å; I284-I288 WeakPolarHBondContact O-CG1 3.15Å; I284-I288 PolarHBondContact O-N 2.86Å; T285-I288 PolarHBondContact O-N 3.48Å; I286-I288 PolarHBondContact O-N 3.23Å; I288-I290 VanDerWaalsContact C-N 3.29Å; I288-I290 PolarHBondContact O-N 3.28Å; I288-L291 PolarHBondContact O-N 3.06Å; I288-I292 HydrophobicContact CG2-CD1 3.63Å; I288-I292 HydrophobicContact CG2-CG1 4.3Å; I288-I292 VanDerWaalsContact O-CG1 3.27Å; I288-I292 WeakPolarHBondContact O-CG1 3.5Å; I288-I292 PolarHBondContact O-N 2.82Å
289	I	66.2	Low	65.2	Low	5 Å²	5	27.5 Å²	27.5	3%	0.026	14%	0.142	C	C	.	.	H	α-helix	trans	-58	-45	176	-68.3	162.2	0	0	0	110.6	S222 T285 I286 F287 L291 I292 N293 F543	S222-I289 WeakPolarHBondContact OG-CG1 3.17Å; T285-I289 HydrophobicContact CG2-CD1 4.36Å; T285-I289 VanDerWaalsContact O-CG1 3.3Å; T285-I289 WeakPolarHBondContact O-CG1 3.46Å; T285-I289 PolarHBondContact O-N 3.47Å; I286-I289 WeakPolarHBondContact O-CB 3.29Å; I286-I289 PolarHBondContact O-N 2.8Å; F287-I289 PolarHBondContact O-N 3.35Å; I289-L291 PolarHBondContact O-N 2.84Å; I289-I292 PolarHBondContact O-N 3.48Å; I289-N293 WeakPolarHBondContact O-CB 3.43Å; I289-N293 VanDerWaalsContact O-CG 3.31Å; I289-N293 PolarHBondContact O-N 3.34Å; I289-N293 PolarHBondContact O-ND2 2.73Å; I289-F543 HydrophobicContact CG2-CE1 3.62Å; I289-F543 HydrophobicContact CG2-CZ 3.64Å
290	I	68.3	Low	64.8	Low	1 Å²	1	29 Å²	29	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-60.6	-46	178.7	-69.8	168.8	0	0	0	110.6	I286 F287 I288 N293 T294 V409 I412 N416 L547	I286-I290 HydrophobicContact CG2-CD1 3.83Å; I286-I290 HydrophobicContact CG2-CG1 4.46Å; I286-I290 VanDerWaalsContact O-CG1 3.26Å; I286-I290 WeakPolarHBondContact O-CG1 3.33Å; I286-I290 PolarHBondContact O-N 3.34Å; F287-I290 WeakPolarHBondContact O-CB 3.4Å; F287-I290 PolarHBondContact O-N 3.28Å; I288-I290 VanDerWaalsContact C-N 3.29Å; I288-I290 PolarHBondContact O-N 3.28Å; I290-N293 WeakPolarHBondContact O-CB 3.18Å; I290-N293 PolarHBondContact O-N 2.76Å; I290-T294 PolarHBondContact O-N 3.47Å; I290-T294 PolarHBondContact O-OG1 2.84Å; I290-V409 HydrophobicContact CD1-CB 4.33Å; I290-V409 HydrophobicContact CD1-CG1 3.63Å; I290-V409 HydrophobicContact CD1-CG2 4.25Å; I290-I412 HydrophobicContact CG2-CB 3.96Å; I290-I412 HydrophobicContact CG2-CG2 3.15Å; I290-N416 WeakPolarHBondContact CG2-ND2 3.4Å; I290-N416 PolarHBondContact O-ND2 2.82Å; I290-L547 HydrophobicContact CD1-CD1 3.69Å; I290-L547 HydrophobicContact CG1-CD1 3.51Å
291	L	66.7	Low	64.5	Low	38 Å²	38	29.2 Å²	29.2	20%	0.199	15%	0.151	C	C	.	.	H	α-helix	trans	-64.4	-41.5	178.2	-71.3	172.3	0	0	0	112.7	F287 I288 I289 N293 T294 H295 F315 Y319	F287-L291 HydrophobicContact CD1-CD1 3.76Å; F287-L291 HydrophobicContact CD1-CG 4.43Å; F287-L291 HydrophobicContact CE1-CD1 3.52Å; F287-L291 HydrophobicContact CE1-CG 4.29Å; F287-L291 HydrophobicContact CZ-CD1 4.14Å; F287-L291 WeakPolarHBondContact O-CG 3.35Å; F287-L291 PolarHBondContact O-N 3.48Å; I288-L291 PolarHBondContact O-N 3.06Å; I289-L291 PolarHBondContact O-N 2.84Å; L291-N293 VanDerWaalsContact C-N 3.28Å; L291-N293 PolarHBondContact O-N 3.49Å; L291-T294 PolarHBondContact O-N 2.91Å; L291-H295 WeakPolarHBondContact O-CB 3.39Å; L291-H295 PolarHBondContact O-N 2.94Å; L291-F315 HydrophobicContact CD2-CD1 3.92Å; L291-F315 HydrophobicContact CD2-CE1 4.43Å; L291-Y319 HydrophobicContact CD1-CD2 3.68Å; L291-Y319 HydrophobicContact CD1-CE2 4.16Å
292	I	67.2	Low	63.7	Low	30 Å²	30	35.1 Å²	35.1	15%	0.154	18%	0.18	C	C	.	.	H	α-helix	trans	-59.4	-42.8	174.8	-69.8	163.2	0	0	0	109.9	H215 L218 I288 I289 H295 Y296	H215-I292 VanDerWaalsContact ND1-CG2 3.3Å; H215-I292 WeakPolarHBondContact ND1-CG2 3.49Å; L218-I292 HydrophobicContact CB-CD1 4.19Å; L218-I292 HydrophobicContact CB-CG2 4.36Å; I288-I292 HydrophobicContact CG2-CD1 3.63Å; I288-I292 HydrophobicContact CG2-CG1 4.3Å; I288-I292 VanDerWaalsContact O-CG1 3.27Å; I288-I292 WeakPolarHBondContact O-CG1 3.5Å; I288-I292 PolarHBondContact O-N 2.82Å; I289-I292 PolarHBondContact O-N 3.48Å; I292-H295 PolarHBondContact O-N 3.11Å; I292-Y296 WeakPolarHBondContact O-CB 3.31Å; I292-Y296 PolarHBondContact O-N 3.43Å
293	N	65.4	Low	62.7	Low	10 Å²	10	35.8 Å²	35.8	5%	0.053	18%	0.184	C	C	.	.	H	α-helix	trans	-66.4	-44.4	176.5	-73.3	-27.7	0	0	0	112.3	H215 I289 I290 L291 H295 Y296 I297 I540	H215-N293 PolarHBondContact CE1-OD1 3.47Å; I289-N293 WeakPolarHBondContact O-CB 3.43Å; I289-N293 VanDerWaalsContact O-CG 3.31Å; I289-N293 PolarHBondContact O-N 3.34Å; I289-N293 PolarHBondContact O-ND2 2.73Å; I290-N293 WeakPolarHBondContact O-CB 3.18Å; I290-N293 PolarHBondContact O-N 2.76Å; L291-N293 VanDerWaalsContact C-N 3.28Å; L291-N293 PolarHBondContact O-N 3.49Å; N293-H295 VanDerWaalsContact C-N 3.35Å; N293-H295 PolarHBondContact O-N 2.58Å; N293-Y296 PolarHBondContact O-N 2.86Å; N293-I297 VanDerWaalsContact O-CG1 3.3Å; N293-I297 WeakPolarHBondContact O-CG1 3.47Å; N293-I297 PolarHBondContact O-N 3.37Å; N293-I540 HydrophobicContact CB-CG2 4.14Å
294	T	65.4	Low	61.6	Low	9 Å²	9	42.5 Å²	42.5	6%	0.055	22%	0.22	C	C	.	.	H	α-helix	trans	-59.1	-47.1	175.2	-54.2	0	0	0	0	110.9	I290 L291 Y296 I297 K298 F315 N416	I290-T294 PolarHBondContact O-N 3.47Å; I290-T294 PolarHBondContact O-OG1 2.84Å; L291-T294 PolarHBondContact O-N 2.91Å; T294-Y296 VanDerWaalsContact C-N 3.3Å; T294-Y296 PolarHBondContact O-N 3.31Å; T294-I297 PolarHBondContact O-N 2.89Å; T294-K298 WeakPolarHBondContact O-CB 3.44Å; T294-K298 PolarHBondContact O-N 3.16Å; T294-F315 HydrophobicContact CG2-CD2 4.07Å; T294-F315 HydrophobicContact CG2-CE1 3.91Å; T294-F315 HydrophobicContact CG2-CE2 3.33Å; T294-F315 HydrophobicContact CG2-CZ 3.26Å; T294-N416 WeakPolarHBondContact CB-OD1 3.4Å; T294-N416 VanDerWaalsContact OG1-CG 3.25Å; T294-N416 PolarHBondContact OG1-ND2 2.8Å; T294-N416 VanDerWaalsContact OG1-ND2 3.07Å; T294-N416 PolarHBondContact OG1-OD1 3.23Å
295	H	65.1	Low	60.6	Low	124 Å²	124	45.6 Å²	45.6	57%	0.574	24%	0.242	S	C	*	.	H	α-helix	trans	-63	-39	179.3	-174.1	-81.5	0	0	0	111.3	L291 I292 N293 K298 S299	L291-H295 WeakPolarHBondContact O-CB 3.39Å; L291-H295 PolarHBondContact O-N 2.94Å; I292-H295 PolarHBondContact O-N 3.11Å; N293-H295 VanDerWaalsContact C-N 3.35Å; N293-H295 PolarHBondContact O-N 2.58Å; H295-K298 WeakPolarHBondContact O-CB 3.17Å; H295-K298 PolarHBondContact O-N 3.12Å; H295-S299 WeakPolarHBondContact O-CB 3.36Å; H295-S299 PolarHBondContact O-N 3.38Å; H295-S299 PolarHBondContact O-OG 3.26Å
296	Y	63.5	Low	59.8	Low	12 Å²	12	50.2 Å²	50.2	5%	0.047	27%	0.274	C	S	.	.	H	α-helix	trans	-64.3	-46.2	174.7	-177.8	-111.5	0	0	0	112.4	L211 H215 I292 N293 T294 K298 S299 I300 K536 I540	L211-Y296 HydrophobicContact CD2-CD2 3.92Å; L211-Y296 HydrophobicContact CD2-CE2 4.17Å; H215-Y296 HydrophobicContact CB-CD2 3.71Å; H215-Y296 HydrophobicContact CB-CE2 4.08Å; H215-Y296 HydrophobicContact CB-CG 4.36Å; H215-Y296 AromaticContact CD2-CD1 3.84Å; H215-Y296 AromaticContact CD2-CD2 3.66Å; H215-Y296 AromaticContact CD2-CE2 3.88Å; H215-Y296 AromaticContact CD2-CG 3.63Å; H215-Y296 AromaticContact CE1-CG 3.75Å; H215-Y296 AromaticContact CG-CD2 3.48Å; H215-Y296 VanDerWaalsContact CG-CD2 3.48Å; H215-Y296 AromaticContact CG-CG 3.64Å; H215-Y296 WeakPolarHBondContact ND1-CB 3.24Å; H215-Y296 AromaticContact ND1-CD2 3.97Å; H215-Y296 AromaticContact ND1-CG 3.72Å; H215-Y296 AromaticContact NE2-CD1 3.69Å; H215-Y296 AromaticContact NE2-CG 3.71Å; I292-Y296 WeakPolarHBondContact O-CB 3.31Å; I292-Y296 PolarHBondContact O-N 3.43Å; N293-Y296 PolarHBondContact O-N 2.86Å; T294-Y296 VanDerWaalsContact C-N 3.3Å; T294-Y296 PolarHBondContact O-N 3.31Å; Y296-K298 VanDerWaalsContact C-N 3.27Å; Y296-K298 PolarHBondContact O-N 3.23Å; Y296-S299 WeakPolarHBondContact CA-OG 2.99Å; Y296-S299 PolarHBondContact O-N 3.09Å; Y296-S299 VanDerWaalsContact O-N 3.1Å; Y296-S299 PolarHBondContact O-OG 2.94Å; Y296-I300 HydrophobicContact CD1-CD1 3.69Å; Y296-I300 HydrophobicContact CD2-CD1 4.35Å; Y296-I300 HydrophobicContact CE1-CD1 3.18Å; Y296-I300 HydrophobicContact CE1-CG1 4.33Å; Y296-I300 HydrophobicContact CE2-CD1 3.9Å; Y296-I300 HydrophobicContact CE2-CG1 4.26Å; Y296-I300 HydrophobicContact CG-CD1 4.27Å; Y296-I300 PolarHBondContact O-N 3.44Å; Y296-K536 HydrophobicContact CE1-CD 4.26Å; Y296-K536 WeakPolarHBondContact OH-CD 3.31Å; Y296-I540 HydrophobicContact CD1-CD1 3.76Å; Y296-I540 HydrophobicContact CE1-CD1 4.16Å
297	I	62.8	Low	58.7	Low	1 Å²	1	53.1 Å²	53.1	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-58	-44	175	-63.8	161.8	0	0	0	110.2	N293 T294 S299 I300 S301 L419 L423 I540	N293-I297 VanDerWaalsContact O-CG1 3.3Å; N293-I297 WeakPolarHBondContact O-CG1 3.47Å; N293-I297 PolarHBondContact O-N 3.37Å; T294-I297 PolarHBondContact O-N 2.89Å; I297-S299 VanDerWaalsContact C-N 3.35Å; I297-S299 PolarHBondContact O-N 3.07Å; I297-I300 PolarHBondContact O-N 3.22Å; I297-S301 VanDerWaalsContact O-CB 3.32Å; I297-S301 WeakPolarHBondContact O-CB 3.32Å; I297-S301 PolarHBondContact O-N 2.95Å; I297-L419 HydrophobicContact CB-CD2 3.86Å; I297-L419 HydrophobicContact CD1-CD2 4.45Å; I297-L419 HydrophobicContact CG2-CB 4.47Å; I297-L419 HydrophobicContact CG2-CD2 3.36Å; I297-L419 HydrophobicContact CG2-CG 3.56Å; I297-L423 HydrophobicContact CG2-CD2 4.03Å; I297-I540 HydrophobicContact CD1-CG2 3.66Å; I297-I540 HydrophobicContact CG1-CD1 4.02Å; I297-I540 HydrophobicContact CG1-CG2 4.31Å
298	K	61.1	Low	57.8	Low	74 Å²	74	55.4 Å²	55.4	32%	0.322	30%	0.304	S	S	.	.	H	α-helix	trans	-59.3	-43.5	175.3	179	-178.5	171.8	178	0	111.9	T294 H295 Y296 S301	T294-K298 WeakPolarHBondContact O-CB 3.44Å; T294-K298 PolarHBondContact O-N 3.16Å; H295-K298 WeakPolarHBondContact O-CB 3.17Å; H295-K298 PolarHBondContact O-N 3.12Å; Y296-K298 VanDerWaalsContact C-N 3.27Å; Y296-K298 PolarHBondContact O-N 3.23Å; K298-S301 CarbonylContact O-C 3.52Å; K298-S301 PolarHBondContact O-N 2.98Å; K298-S301 PolarHBondContact O-OG 3.48Å
299	S	60.4	Low	57.1	Low	48 Å²	48	55.4 Å²	55.4	34%	0.336	31%	0.309	S	S	.	.	H	α-helix	trans	-68.5	-32	-179.6	68.5	0	0	0	0	113.6	L211 H295 Y296 I297	L211-S299 WeakPolarHBondContact CD2-OG 3.48Å; H295-S299 WeakPolarHBondContact O-CB 3.36Å; H295-S299 PolarHBondContact O-N 3.38Å; H295-S299 PolarHBondContact O-OG 3.26Å; Y296-S299 WeakPolarHBondContact CA-OG 2.99Å; Y296-S299 PolarHBondContact O-N 3.09Å; Y296-S299 VanDerWaalsContact O-N 3.1Å; Y296-S299 PolarHBondContact O-OG 2.94Å; I297-S299 VanDerWaalsContact C-N 3.35Å; I297-S299 PolarHBondContact O-N 3.07Å
300	I	57.5	Low	56.3	Low	39 Å²	39	62.4 Å²	62.4	20%	0.2	34%	0.34	C	S	.	.	H	α-helix	trans	-75.7	-36.3	172.9	-66.9	166	0	0	0	110.6	Y296 I297 L302 L423 K533	Y296-I300 HydrophobicContact CD1-CD1 3.69Å; Y296-I300 HydrophobicContact CD2-CD1 4.35Å; Y296-I300 HydrophobicContact CE1-CD1 3.18Å; Y296-I300 HydrophobicContact CE1-CG1 4.33Å; Y296-I300 HydrophobicContact CE2-CD1 3.9Å; Y296-I300 HydrophobicContact CE2-CG1 4.26Å; Y296-I300 HydrophobicContact CG-CD1 4.27Å; Y296-I300 PolarHBondContact O-N 3.44Å; I297-I300 PolarHBondContact O-N 3.22Å; I300-L302 PolarHBondContact O-N 3.32Å; I300-L302 VanDerWaalsContact O-N 3.12Å; I300-L423 HydrophobicContact CG2-CD2 4.28Å; I300-K533 HydrophobicContact CG2-CD 4.36Å
301	S	55.8	Low	55.6	Low	16 Å²	16	64.2 Å²	64.2	11%	0.112	35%	0.349	C	S	.	.			trans	-79.7	96.8	-179.3	91.9	0	0	0	0	110	I297 K298 M303	I297-S301 VanDerWaalsContact O-CB 3.32Å; I297-S301 WeakPolarHBondContact O-CB 3.32Å; I297-S301 PolarHBondContact O-N 2.95Å; K298-S301 CarbonylContact O-C 3.52Å; K298-S301 PolarHBondContact O-N 2.98Å; K298-S301 PolarHBondContact O-OG 3.48Å; S301-M303 PolarHBondContact O-N 2.89Å
302	L	48	Very low	55	Low	172 Å²	172	67 Å²	67	90%	0.901	36%	0.361	S	S	*	.			trans	-69.1	44.7	157.6	-120.9	145.2	0	0	0	109.9	I300 N304	I300-L302 PolarHBondContact O-N 3.32Å; I300-L302 VanDerWaalsContact O-N 3.12Å; L302-N304 PolarHBondContact O-N 3.25Å
303	M	45.3	Very low	54.7	Low	29 Å²	29	70.2 Å²	70.2	14%	0.143	38%	0.378	C	S	.	.			trans	-66.6	130.6	175.7	-85.9	-164.5	179.6	0	0	108.4	S301 T305 I308 K422 L423	S301-M303 PolarHBondContact O-N 2.89Å; M303-T305 PolarHBondContact O-N 2.92Å; M303-I308 WeakPolarHBondContact O-CD1 3.45Å; M303-K422 HydrophobicContact CE-CB 4.14Å; M303-K422 HydrophobicContact CE-CD 3.77Å; M303-K422 HydrophobicContact CE-CG 3.66Å; M303-K422 HydrophobicContact SD-CD 4.05Å; M303-L423 HydrophobicContact CE-CD1 4.21Å
304	N	42.9	Very low	54.5	Low	143 Å²	143	72.4 Å²	72.4	77%	0.765	39%	0.392	S	S	*	.			trans	-40.6	133.1	178.4	-82.9	-1.6	0	0	0	112.2	L302 S306	L302-N304 PolarHBondContact O-N 3.25Å; N304-S306 PolarHBondContact O-N 3.33Å
305	T	44.6	Very low	54.1	Low	124 Å²	124	73.1 Å²	73.1	76%	0.761	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	3.8	-158.8	38.6	0	0	0	0	117.2	M303 I308	M303-T305 PolarHBondContact O-N 2.92Å; T305-I308 HydrophobicContact CG2-CD1 4.44Å
306	S	47.2	Very low	54	Low	101 Å²	101	69.8 Å²	69.8	71%	0.706	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-31.4	-174.1	60.6	0	0	0	0	114.9	N304	N304-S306 PolarHBondContact O-N 3.33Å
307	T	45.9	Very low	54	Low	66 Å²	66	74.8 Å²	74.8	41%	0.405	41%	0.409	S	S	.	.	S	Bend	trans	-92.9	-5.7	-179.6	49.6	0	0	0	0	114.3	I311	T307-I311 WeakPolarHBondContact O-CD1 3.41Å; T307-I311 WeakPolarHBondContact O-CG1 3.49Å; T307-I311 PolarHBondContact O-N 3.44Å
308	I	48.8	Very low	53.9	Low	49 Å²	49	77 Å²	77	25%	0.251	42%	0.42	S	S	.	.	H	α-helix	trans	-67.1	-43.8	-176.7	-60.5	-179.3	0	0	0	114.2	M303 T305 F310 I311 H312	M303-I308 WeakPolarHBondContact O-CD1 3.45Å; T305-I308 HydrophobicContact CG2-CD1 4.44Å; I308-F310 VanDerWaalsContact C-N 3.35Å; I308-F310 PolarHBondContact O-N 3.42Å; I308-I311 PolarHBondContact O-N 3.26Å; I308-H312 PolarHBondContact O-N 2.91Å
309	P	50.3	Low	53.9	Low	73 Å²	73	78.6 Å²	78.6	47%	0.474	43%	0.425	S	S	.	.	H	α-helix	trans	-68	-35.4	-178	23.7	-31.3	0	0	0	112.1	I311 H312 N313	P309-I311 PolarHBondContact O-N 2.92Å; P309-H312 PolarHBondContact O-N 3.36Å; P309-N313 WeakPolarHBondContact O-CB 3.43Å; P309-N313 PolarHBondContact O-N 2.92Å; P309-N313 PolarHBondContact O-OD1 3Å
310	F	49.6	Very low	54.1	Low	151 Å²	151	80.3 Å²	80.3	66%	0.662	43%	0.43	S	S	*	.	H	α-helix	trans	-61.6	-45.2	176.3	-174	-100.2	0	0	0	111.7	I308 H312 N313 V314	I308-F310 VanDerWaalsContact C-N 3.35Å; I308-F310 PolarHBondContact O-N 3.42Å; F310-H312 PolarHBondContact O-N 2.98Å; F310-N313 PolarHBondContact O-N 3.38Å; F310-V314 HydrophobicContact CD1-CG2 4.22Å; F310-V314 HydrophobicContact CE1-CG2 3.88Å; F310-V314 HydrophobicContact CE2-CG2 4.38Å; F310-V314 HydrophobicContact CZ-CG2 3.97Å; F310-V314 VanDerWaalsContact O-CG2 3.29Å; F310-V314 WeakPolarHBondContact O-CG2 3.19Å; F310-V314 PolarHBondContact O-N 2.66Å
311	I	54.8	Low	54.3	Low	39 Å²	39	80 Å²	80	20%	0.2	44%	0.436	C	S	.	.	H	α-helix	trans	-62.6	-45.2	177	-65.4	169.7	0	0	0	110.4	T307 I308 P309 N313 V314 F315 F415	T307-I311 WeakPolarHBondContact O-CD1 3.41Å; T307-I311 WeakPolarHBondContact O-CG1 3.49Å; T307-I311 PolarHBondContact O-N 3.44Å; I308-I311 PolarHBondContact O-N 3.26Å; P309-I311 PolarHBondContact O-N 2.92Å; I311-N313 PolarHBondContact O-N 3.45Å; I311-V314 PolarHBondContact O-N 2.87Å; I311-F315 HydrophobicContact CG2-CD2 3.45Å; I311-F315 VanDerWaalsContact CG2-CD2 3.45Å; I311-F315 HydrophobicContact CG2-CE2 3.39Å; I311-F315 WeakPolarHBondContact O-CB 3.27Å; I311-F315 WeakPolarHBondContact O-CD2 3.29Å; I311-F315 PolarHBondContact O-N 3.28Å; I311-F415 HydrophobicContact CB-CZ 4.43Å; I311-F415 HydrophobicContact CD1-CZ 4.01Å; I311-F415 HydrophobicContact CG1-CE2 4.46Å; I311-F415 HydrophobicContact CG1-CZ 3.88Å; I311-F415 HydrophobicContact CG2-CE1 4.06Å; I311-F415 HydrophobicContact CG2-CZ 3.73Å
312	H	52.4	Low	54.7	Low	97 Å²	97	79.3 Å²	79.3	45%	0.449	43%	0.431	S	S	.	.	H	α-helix	trans	-60.4	-45.4	177.6	-169.9	-3.9	0	0	0	112.2	I308 P309 F310 F315 V316	I308-H312 PolarHBondContact O-N 2.91Å; P309-H312 PolarHBondContact O-N 3.36Å; F310-H312 PolarHBondContact O-N 2.98Å; H312-F315 PolarHBondContact O-N 3.31Å; H312-V316 WeakPolarHBondContact CE1-CG2 3.32Å; H312-V316 VanDerWaalsContact ND1-CG2 3.28Å; H312-V316 WeakPolarHBondContact ND1-CG2 3.25Å; H312-V316 WeakPolarHBondContact O-CG2 3.32Å; H312-V316 PolarHBondContact O-N 2.85Å
313	N	61.3	Low	55.5	Low	97 Å²	97	74 Å²	74	52%	0.519	40%	0.403	S	S	.	.	H	α-helix	trans	-64.9	-44.1	-178.9	-69.2	-7.9	0	0	0	111.2	P309 F310 I311 F315 V316 I317	P309-N313 WeakPolarHBondContact O-CB 3.43Å; P309-N313 PolarHBondContact O-N 2.92Å; P309-N313 PolarHBondContact O-OD1 3Å; F310-N313 PolarHBondContact O-N 3.38Å; I311-N313 PolarHBondContact O-N 3.45Å; N313-F315 VanDerWaalsContact C-N 3.34Å; N313-F315 PolarHBondContact O-N 3.34Å; N313-V316 PolarHBondContact O-N 3.45Å; N313-I317 WeakPolarHBondContact O-CB 2.99Å; N313-I317 WeakPolarHBondContact O-CD1 3.43Å; N313-I317 WeakPolarHBondContact O-CG1 3.32Å; N313-I317 PolarHBondContact O-N 3.27Å
314	V	61	Low	56.5	Low	56 Å²	56	77.4 Å²	77.4	34%	0.339	42%	0.421	S	S	.	.	H	α-helix	trans	-61.9	-42.9	175.6	173.4	0	0	0	0	110.7	F310 I311 I317 L318	F310-V314 HydrophobicContact CD1-CG2 4.22Å; F310-V314 HydrophobicContact CE1-CG2 3.88Å; F310-V314 HydrophobicContact CE2-CG2 4.38Å; F310-V314 HydrophobicContact CZ-CG2 3.97Å; F310-V314 VanDerWaalsContact O-CG2 3.29Å; F310-V314 WeakPolarHBondContact O-CG2 3.19Å; F310-V314 PolarHBondContact O-N 2.66Å; I311-V314 PolarHBondContact O-N 2.87Å; V314-I317 PolarHBondContact O-N 3.32Å; V314-L318 HydrophobicContact CG1-CD1 3.74Å; V314-L318 HydrophobicContact CG1-CG 4.23Å; V314-L318 WeakPolarHBondContact O-CB 3.43Å; V314-L318 WeakPolarHBondContact O-CG 3.47Å; V314-L318 PolarHBondContact O-N 3.43Å
315	F	58.5	Low	57.3	Low	24 Å²	24	70.9 Å²	70.9	11%	0.105	39%	0.386	C	S	.	.	H	α-helix	trans	-65	-40.2	177.4	-86.4	-63.8	0	0	0	113.9	L291 T294 I311 H312 N313 L318 Y319 I412 F415	L291-F315 HydrophobicContact CD2-CD1 3.92Å; L291-F315 HydrophobicContact CD2-CE1 4.43Å; T294-F315 HydrophobicContact CG2-CD2 4.07Å; T294-F315 HydrophobicContact CG2-CE1 3.91Å; T294-F315 HydrophobicContact CG2-CE2 3.33Å; T294-F315 HydrophobicContact CG2-CZ 3.26Å; I311-F315 HydrophobicContact CG2-CD2 3.45Å; I311-F315 VanDerWaalsContact CG2-CD2 3.45Å; I311-F315 HydrophobicContact CG2-CE2 3.39Å; I311-F315 WeakPolarHBondContact O-CB 3.27Å; I311-F315 WeakPolarHBondContact O-CD2 3.29Å; I311-F315 PolarHBondContact O-N 3.28Å; H312-F315 PolarHBondContact O-N 3.31Å; N313-F315 VanDerWaalsContact C-N 3.34Å; N313-F315 PolarHBondContact O-N 3.34Å; F315-L318 PolarHBondContact O-N 3.3Å; F315-Y319 WeakPolarHBondContact O-CB 3.34Å; F315-Y319 PolarHBondContact O-N 3.06Å; F315-I412 HydrophobicContact CE1-CB 4.5Å; F315-I412 HydrophobicContact CE1-CD1 4.39Å; F315-I412 HydrophobicContact CE1-CG1 4.16Å; F315-I412 HydrophobicContact CE1-CG2 3.59Å; F315-I412 HydrophobicContact CZ-CG2 4.19Å; F315-F415 AromaticContact CE2-CD1 3.77Å; F315-F415 HydrophobicContact CE2-CD1 3.77Å; F315-F415 AromaticContact CE2-CE1 3.38Å; F315-F415 HydrophobicContact CE2-CE1 3.38Å; F315-F415 HydrophobicContact CE2-CZ 4.01Å; F315-F415 AromaticContact CZ-CD1 3.37Å; F315-F415 HydrophobicContact CZ-CD1 3.37Å; F315-F415 AromaticContact CZ-CE1 3.53Å; F315-F415 HydrophobicContact CZ-CE1 3.53Å; F315-F415 HydrophobicContact CZ-CG 4.19Å; F315-F415 HydrophobicContact CZ-CZ 4.44Å
316	V	62.2	Low	58.2	Low	55 Å²	55	65.4 Å²	65.4	33%	0.333	35%	0.351	S	S	.	.	H	α-helix	trans	-66.9	-42.4	176.8	170.1	0	0	0	0	110.3	H312 N313 Y319 I320	H312-V316 WeakPolarHBondContact CE1-CG2 3.32Å; H312-V316 VanDerWaalsContact ND1-CG2 3.28Å; H312-V316 WeakPolarHBondContact ND1-CG2 3.25Å; H312-V316 WeakPolarHBondContact O-CG2 3.32Å; H312-V316 PolarHBondContact O-N 2.85Å; N313-V316 PolarHBondContact O-N 3.45Å; V316-Y319 WeakPolarHBondContact O-CB 3.44Å; V316-Y319 PolarHBondContact O-N 2.96Å; V316-I320 HydrophobicContact CG1-CD1 3.62Å; V316-I320 HydrophobicContact CG1-CG1 4.27Å; V316-I320 WeakPolarHBondContact O-CB 3.39Å; V316-I320 VanDerWaalsContact O-CG1 3.24Å; V316-I320 WeakPolarHBondContact O-CG1 3.48Å; V316-I320 PolarHBondContact O-N 2.98Å
317	I	64.5	Low	59	Low	117 Å²	117	65.2 Å²	65.2	60%	0.6	34%	0.342	S	S	*	.	H	α-helix	trans	-64.7	-42.9	176.7	-66.9	164	0	0	0	110.7	N313 V314 Y319 I320 G321	N313-I317 WeakPolarHBondContact O-CB 2.99Å; N313-I317 WeakPolarHBondContact O-CD1 3.43Å; N313-I317 WeakPolarHBondContact O-CG1 3.32Å; N313-I317 PolarHBondContact O-N 3.27Å; V314-I317 PolarHBondContact O-N 3.32Å; I317-Y319 VanDerWaalsContact C-N 3.33Å; I317-Y319 PolarHBondContact O-N 3.44Å; I317-I320 PolarHBondContact O-N 3.48Å; I317-G321 PolarHBondContact O-N 2.91Å
318	L	59.5	Low	59.8	Low	47 Å²	47	67.2 Å²	67.2	25%	0.246	35%	0.345	C	S	.	.	H	α-helix	trans	-65.3	-36.5	175.3	-70.2	171.3	0	0	0	111.9	V314 F315 F322 L408 I412	V314-L318 HydrophobicContact CG1-CD1 3.74Å; V314-L318 HydrophobicContact CG1-CG 4.23Å; V314-L318 WeakPolarHBondContact O-CB 3.43Å; V314-L318 WeakPolarHBondContact O-CG 3.47Å; V314-L318 PolarHBondContact O-N 3.43Å; F315-L318 PolarHBondContact O-N 3.3Å; L318-F322 VanDerWaalsContact O-CB 3.26Å; L318-F322 WeakPolarHBondContact O-CB 3.22Å; L318-F322 PolarHBondContact O-N 3.07Å; L318-L408 HydrophobicContact CD2-CD2 3.61Å; L318-I412 HydrophobicContact CD1-CD1 4.44Å; L318-I412 HydrophobicContact CD1-CG1 4.08Å
319	Y	61.1	Low	60.3	Low	108 Å²	108	64.9 Å²	64.9	42%	0.424	33%	0.333	S	S	.	.	H	α-helix	trans	-65.9	-48.7	174.8	176.7	-98.2	0	0	0	112	F287 L291 F315 V316 I317 G321 F322 I323	F287-Y319 AromaticContact CE1-CD2 3.69Å; F287-Y319 HydrophobicContact CE1-CD2 3.69Å; F287-Y319 HydrophobicContact CE1-CE2 4.42Å; F287-Y319 HydrophobicContact CZ-CD2 4.47Å; L291-Y319 HydrophobicContact CD1-CD2 3.68Å; L291-Y319 HydrophobicContact CD1-CE2 4.16Å; F315-Y319 WeakPolarHBondContact O-CB 3.34Å; F315-Y319 PolarHBondContact O-N 3.06Å; V316-Y319 WeakPolarHBondContact O-CB 3.44Å; V316-Y319 PolarHBondContact O-N 2.96Å; I317-Y319 VanDerWaalsContact C-N 3.33Å; I317-Y319 PolarHBondContact O-N 3.44Å; Y319-G321 VanDerWaalsContact C-N 3.33Å; Y319-F322 PolarHBondContact O-N 2.8Å; Y319-I323 HydrophobicContact CD1-CD1 3.95Å; Y319-I323 HydrophobicContact CD2-CD1 4.45Å; Y319-I323 HydrophobicContact CE1-CD1 3.3Å; Y319-I323 HydrophobicContact CE1-CG1 4.44Å; Y319-I323 HydrophobicContact CE2-CD1 3.85Å; Y319-I323 HydrophobicContact CG-CD1 4.48Å; Y319-I323 WeakPolarHBondContact O-CG1 3.19Å; Y319-I323 PolarHBondContact O-N 3.44Å; Y319-I323 WeakPolarHBondContact OH-CD1 3.15Å
320	I	65.6	Low	61	Low	83 Å²	83	65 Å²	65	43%	0.426	33%	0.328	S	S	.	.	H	α-helix	trans	-61.8	-44.6	175.4	-69.6	170.5	0	0	0	109.5	V316 I317 F322 I323 I324	V316-I320 HydrophobicContact CG1-CD1 3.62Å; V316-I320 HydrophobicContact CG1-CG1 4.27Å; V316-I320 WeakPolarHBondContact O-CB 3.39Å; V316-I320 VanDerWaalsContact O-CG1 3.24Å; V316-I320 WeakPolarHBondContact O-CG1 3.48Å; V316-I320 PolarHBondContact O-N 2.98Å; I317-I320 PolarHBondContact O-N 3.48Å; I320-F322 PolarHBondContact O-N 2.69Å; I320-I323 PolarHBondContact O-N 3.32Å; I320-I324 HydrophobicContact CG2-CD1 3.4Å; I320-I324 HydrophobicContact CG2-CG1 4.1Å; I320-I324 VanDerWaalsContact O-CB 3.3Å; I320-I324 WeakPolarHBondContact O-CB 3.4Å; I320-I324 WeakPolarHBondContact O-CG1 3.33Å; I320-I324 PolarHBondContact O-N 3.4Å
321	G	61.8	Low	61.7	Low	32 Å²	32	61.2 Å²	61.2	33%	0.33	32%	0.318	S	S	.	.	H	α-helix	trans	-61.4	-40.6	176.2	0	0	0	0	0	112.9	I317 Y319 S325	I317-G321 PolarHBondContact O-N 2.91Å; Y319-G321 VanDerWaalsContact C-N 3.33Å; G321-S325 VanDerWaalsContact O-CB 3.22Å; G321-S325 WeakPolarHBondContact O-CB 3.35Å; G321-S325 PolarHBondContact O-N 2.93Å
322	F	63.1	Low	61.8	Low	3 Å²	3	61 Å²	61	1%	0.013	32%	0.317	C	S	.	.	H	α-helix	trans	-62.6	-50.8	174	-175	-98	0	0	0	111.1	I284 F287 L318 Y319 I320 I324 S325 W326 P405 L408	I284-F322 HydrophobicContact CB-CE1 4.47Å; I284-F322 HydrophobicContact CG1-CE1 3.87Å; I284-F322 HydrophobicContact CG1-CZ 4.26Å; F287-F322 HydrophobicContact CB-CE1 4.02Å; F287-F322 HydrophobicContact CB-CE2 4.21Å; F287-F322 HydrophobicContact CB-CZ 3.75Å; F287-F322 AromaticContact CD1-CD1 3.67Å; F287-F322 HydrophobicContact CD1-CD1 3.67Å; F287-F322 AromaticContact CD1-CE1 3.75Å; F287-F322 HydrophobicContact CD1-CE1 3.75Å; F287-F322 HydrophobicContact CD1-CG 4.08Å; F287-F322 HydrophobicContact CD1-CZ 4.24Å; F287-F322 HydrophobicContact CD2-CD2 4.05Å; F287-F322 HydrophobicContact CD2-CE2 4.09Å; F287-F322 HydrophobicContact CD2-CG 4.29Å; F287-F322 HydrophobicContact CD2-CZ 4.38Å; F287-F322 HydrophobicContact CE1-CB 3.99Å; F287-F322 AromaticContact CE1-CD1 3.71Å; F287-F322 HydrophobicContact CE1-CD1 3.71Å; F287-F322 HydrophobicContact CE1-CE1 4.28Å; F287-F322 AromaticContact CE1-CG 3.86Å; F287-F322 HydrophobicContact CE1-CG 3.86Å; F287-F322 HydrophobicContact CE2-CB 4.24Å; F287-F322 HydrophobicContact CE2-CD2 4.07Å; F287-F322 HydrophobicContact CE2-CG 4.08Å; F287-F322 HydrophobicContact CG-CD1 4.11Å; F287-F322 HydrophobicContact CG-CD2 4.28Å; F287-F322 AromaticContact CG-CE1 3.93Å; F287-F322 HydrophobicContact CG-CE1 3.93Å; F287-F322 HydrophobicContact CG-CE2 4.11Å; F287-F322 HydrophobicContact CG-CG 4.28Å; F287-F322 AromaticContact CG-CZ 3.92Å; F287-F322 HydrophobicContact CG-CZ 3.92Å; F287-F322 HydrophobicContact CZ-CB 3.78Å; F287-F322 HydrophobicContact CZ-CD1 4.25Å; F287-F322 HydrophobicContact CZ-CD2 4.36Å; F287-F322 AromaticContact CZ-CG 3.91Å; F287-F322 HydrophobicContact CZ-CG 3.91Å; L318-F322 VanDerWaalsContact O-CB 3.26Å; L318-F322 WeakPolarHBondContact O-CB 3.22Å; L318-F322 PolarHBondContact O-N 3.07Å; Y319-F322 PolarHBondContact O-N 2.8Å; I320-F322 PolarHBondContact O-N 2.69Å; F322-I324 PolarHBondContact O-N 2.97Å; F322-S325 WeakPolarHBondContact O-CB 3.2Å; F322-S325 PolarHBondContact O-N 3.33Å; F322-W326 AromaticContact CD1-CD1 3.65Å; F322-W326 AromaticContact CD1-NE1 3.98Å; F322-W326 AromaticContact CD2-NE1 3.85Å; F322-W326 AromaticContact CE1-CD1 3.46Å; F322-W326 VanDerWaalsContact CE1-CD1 3.46Å; F322-W326 AromaticContact CE1-NE1 3.43Å; F322-W326 AromaticContact CE2-CD1 3.93Å; F322-W326 AromaticContact CE2-NE1 3.29Å; F322-W326 VanDerWaalsContact CE2-NE1 3.29Å; F322-W326 AromaticContact CG-CD1 3.97Å; F322-W326 AromaticContact CZ-CD1 3.62Å; F322-W326 AromaticContact CZ-NE1 3.05Å; F322-W326 PolarHBondContact O-N 3.13Å; F322-P405 HydrophobicContact CE2-CB 3.83Å; F322-L408 HydrophobicContact CB-CD1 3.9Å; F322-L408 HydrophobicContact CD2-CB 4.27Å; F322-L408 HydrophobicContact CD2-CD1 3.76Å; F322-L408 HydrophobicContact CG-CD1 4.32Å
323	I	66.4	Low	62.2	Low	60 Å²	60	57.6 Å²	57.6	31%	0.308	30%	0.3	S	S	.	.	H	α-helix	trans	-62.6	-44.9	179	-71.8	-179.3	0	0	0	111.3	Y319 I320 W326 I327	Y319-I323 HydrophobicContact CD1-CD1 3.95Å; Y319-I323 HydrophobicContact CD2-CD1 4.45Å; Y319-I323 HydrophobicContact CE1-CD1 3.3Å; Y319-I323 HydrophobicContact CE1-CG1 4.44Å; Y319-I323 HydrophobicContact CE2-CD1 3.85Å; Y319-I323 HydrophobicContact CG-CD1 4.48Å; Y319-I323 WeakPolarHBondContact O-CG1 3.19Å; Y319-I323 PolarHBondContact O-N 3.44Å; Y319-I323 WeakPolarHBondContact OH-CD1 3.15Å; I320-I323 PolarHBondContact O-N 3.32Å; I323-W326 PolarHBondContact O-N 2.63Å; I323-I327 HydrophobicContact CG2-CD1 3.51Å; I323-I327 HydrophobicContact CG2-CG1 4.06Å; I323-I327 WeakPolarHBondContact O-CB 3.44Å; I323-I327 WeakPolarHBondContact O-CG1 3.39Å; I323-I327 PolarHBondContact O-N 3.41Å
324	I	65.6	Low	62.2	Low	101 Å²	101	57.7 Å²	57.7	52%	0.518	30%	0.3	S	S	.	.	H	α-helix	trans	-62.8	-45.3	178.7	-70.6	172.6	0	0	0	110.3	I320 F322 W326 I327 F328	I320-I324 HydrophobicContact CG2-CD1 3.4Å; I320-I324 HydrophobicContact CG2-CG1 4.1Å; I320-I324 VanDerWaalsContact O-CB 3.3Å; I320-I324 WeakPolarHBondContact O-CB 3.4Å; I320-I324 WeakPolarHBondContact O-CG1 3.33Å; I320-I324 PolarHBondContact O-N 3.4Å; F322-I324 PolarHBondContact O-N 2.97Å; I324-W326 PolarHBondContact O-N 3.44Å; I324-I327 PolarHBondContact O-N 2.82Å; I324-F328 WeakPolarHBondContact O-CB 3.5Å; I324-F328 PolarHBondContact O-N 3.41Å
325	S	59	Low	62	Low	5 Å²	5	57.5 Å²	57.5	4%	0.035	30%	0.301	C	S	.	.	H	α-helix	trans	-54	-43.9	175.1	-179.9	0	0	0	0	111.1	G321 F322 S329 L400 L404	G321-S325 VanDerWaalsContact O-CB 3.22Å; G321-S325 WeakPolarHBondContact O-CB 3.35Å; G321-S325 PolarHBondContact O-N 2.93Å; F322-S325 WeakPolarHBondContact O-CB 3.2Å; F322-S325 PolarHBondContact O-N 3.33Å; S325-S329 WeakPolarHBondContact O-CB 3.49Å; S325-S329 PolarHBondContact O-N 3.35Å; S325-L400 WeakPolarHBondContact O-CD2 3.13Å; S325-L400 WeakPolarHBondContact O-CG 3.38Å; S325-L400 VanDerWaalsContact OG-CD1 3.28Å; S325-L400 WeakPolarHBondContact OG-CD1 3.16Å; S325-L400 PolarHBondContact OG-O 3.31Å; S325-L400 VanDerWaalsContact OG-O 3.08Å; S325-L404 VanDerWaalsContact OG-CD2 3.27Å; S325-L404 WeakPolarHBondContact OG-CD2 3.39Å
326	W	63.6	Low	61.8	Low	9 Å²	9	57.6 Å²	57.6	3%	0.034	30%	0.302	C	S	.	.	H	α-helix	trans	-73.4	-46.1	180	-80.4	114.2	0	0	0	113.9	T280 W283 F322 I323 I324 F328 S329 I330 S401 P405	T280-W326 VanDerWaalsContact CA-CH2 3.48Å; T280-W326 VanDerWaalsContact CB-CH2 3.41Å; T280-W326 HydrophobicContact CG2-CE3 3.73Å; T280-W326 HydrophobicContact CG2-CH2 3.44Å; T280-W326 VanDerWaalsContact CG2-CH2 3.44Å; T280-W326 HydrophobicContact CG2-CZ3 2.98Å; W283-W326 HydrophobicContact CB-CZ2 3.96Å; W283-W326 HydrophobicContact CG-CZ2 4.49Å; F322-W326 AromaticContact CD1-CD1 3.65Å; F322-W326 AromaticContact CD1-NE1 3.98Å; F322-W326 AromaticContact CD2-NE1 3.85Å; F322-W326 AromaticContact CE1-CD1 3.46Å; F322-W326 VanDerWaalsContact CE1-CD1 3.46Å; F322-W326 AromaticContact CE1-NE1 3.43Å; F322-W326 AromaticContact CE2-CD1 3.93Å; F322-W326 AromaticContact CE2-NE1 3.29Å; F322-W326 VanDerWaalsContact CE2-NE1 3.29Å; F322-W326 AromaticContact CG-CD1 3.97Å; F322-W326 AromaticContact CZ-CD1 3.62Å; F322-W326 AromaticContact CZ-NE1 3.05Å; F322-W326 PolarHBondContact O-N 3.13Å; I323-W326 PolarHBondContact O-N 2.63Å; I324-W326 PolarHBondContact O-N 3.44Å; W326-F328 PolarHBondContact O-N 3.18Å; W326-S329 WeakPolarHBondContact O-CB 3.23Å; W326-S329 PolarHBondContact O-N 3.25Å; W326-S329 VanDerWaalsContact O-N 3.11Å; W326-I330 WeakPolarHBondContact O-CB 3.19Å; W326-I330 WeakPolarHBondContact O-CG1 3.44Å; W326-I330 PolarHBondContact O-N 3.43Å; W326-S401 WeakPolarHBondContact CH2-O 3.15Å; W326-P405 HydrophobicContact CD2-CG 4.33Å; W326-P405 VanDerWaalsContact CE2-CG 3.46Å; W326-P405 HydrophobicContact CH2-CG 4Å; W326-P405 HydrophobicContact CZ2-CB 3.59Å; W326-P405 HydrophobicContact CZ2-CG 3.34Å
327	I	65.1	Low	61.5	Low	98 Å²	98	57.9 Å²	57.9	50%	0.503	30%	0.302	S	S	.	.	H	α-helix	trans	-56.9	-45.5	175.4	-70	174.4	0	0	0	108.8	I323 I324 S329 I330 V331	I323-I327 HydrophobicContact CG2-CD1 3.51Å; I323-I327 HydrophobicContact CG2-CG1 4.06Å; I323-I327 WeakPolarHBondContact O-CB 3.44Å; I323-I327 WeakPolarHBondContact O-CG1 3.39Å; I323-I327 PolarHBondContact O-N 3.41Å; I324-I327 PolarHBondContact O-N 2.82Å; I327-S329 PolarHBondContact O-N 3.39Å; I327-I330 PolarHBondContact O-N 2.85Å; I327-V331 HydrophobicContact CG2-CG2 4.2Å; I327-V331 WeakPolarHBondContact O-CB 3.49Å; I327-V331 WeakPolarHBondContact O-CG2 3.49Å; I327-V331 PolarHBondContact O-N 2.91Å
328	F	62.2	Low	60.9	Low	108 Å²	108	56.9 Å²	56.9	47%	0.474	30%	0.297	S	S	.	.	H	α-helix	trans	-65.6	-38.1	178.1	-165.1	-114.3	0	0	0	111.6	I324 W326 V331 L332 L400	I324-F328 WeakPolarHBondContact O-CB 3.5Å; I324-F328 PolarHBondContact O-N 3.41Å; W326-F328 PolarHBondContact O-N 3.18Å; F328-V331 PolarHBondContact O-N 3.4Å; F328-L332 HydrophobicContact CD1-CD1 3.73Å; F328-L332 HydrophobicContact CD1-CG 4.3Å; F328-L332 HydrophobicContact CE1-CD1 3.48Å; F328-L332 VanDerWaalsContact CE1-CD1 3.48Å; F328-L332 HydrophobicContact CE1-CD2 4.48Å; F328-L332 HydrophobicContact CE1-CG 4.07Å; F328-L332 HydrophobicContact CG-CD1 4.47Å; F328-L332 HydrophobicContact CZ-CD1 4.06Å; F328-L332 HydrophobicContact CZ-CD2 4.24Å; F328-L332 HydrophobicContact CZ-CG 4.2Å; F328-L332 VanDerWaalsContact O-CB 3.31Å; F328-L332 WeakPolarHBondContact O-CB 3.25Å; F328-L332 VanDerWaalsContact O-CG 3.24Å; F328-L332 WeakPolarHBondContact O-CG 3.32Å; F328-L332 PolarHBondContact O-N 3.15Å; F328-L400 HydrophobicContact CB-CD2 4Å; F328-L400 HydrophobicContact CD1-CD2 3.45Å; F328-L400 VanDerWaalsContact CD1-CD2 3.45Å; F328-L400 HydrophobicContact CE1-CD2 4.38Å; F328-L400 HydrophobicContact CG-CD2 4.15Å
329	S	60.1	Low	60.7	Low	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-64.4	-44.5	173.7	-170.4	0	0	0	0	113	S325 W326 I327 L332 R333 L400 S401	S325-S329 WeakPolarHBondContact O-CB 3.49Å; S325-S329 PolarHBondContact O-N 3.35Å; W326-S329 WeakPolarHBondContact O-CB 3.23Å; W326-S329 PolarHBondContact O-N 3.25Å; W326-S329 VanDerWaalsContact O-N 3.11Å; I327-S329 PolarHBondContact O-N 3.39Å; S329-L332 PolarHBondContact O-N 3.19Å; S329-R333 WeakPolarHBondContact O-CB 3.21Å; S329-R333 WeakPolarHBondContact O-CD 3.29Å; S329-R333 WeakPolarHBondContact O-CG 3.3Å; S329-R333 PolarHBondContact O-N 3.39Å; S329-L400 VanDerWaalsContact N-CD2 3.34Å; S329-S401 VanDerWaalsContact OG-CB 3.31Å; S329-S401 WeakPolarHBondContact OG-CB 3.3Å
330	I	63.4	Low	60.1	Low	74 Å²	74	54.7 Å²	54.7	38%	0.379	29%	0.292	S	S	.	.	H	α-helix	trans	-64.6	-45.7	177.2	-69.3	168.1	0	0	0	109.9	W326 I327 R333 I334	W326-I330 WeakPolarHBondContact O-CB 3.19Å; W326-I330 WeakPolarHBondContact O-CG1 3.44Å; W326-I330 PolarHBondContact O-N 3.43Å; I327-I330 PolarHBondContact O-N 2.85Å; I330-R333 PolarHBondContact O-N 2.99Å; I330-I334 HydrophobicContact CG2-CD1 3.61Å; I330-I334 HydrophobicContact CG2-CG1 4.23Å; I330-I334 WeakPolarHBondContact O-CB 3.07Å; I330-I334 VanDerWaalsContact O-CG1 3.31Å; I330-I334 WeakPolarHBondContact O-CG1 3.29Å; I330-I334 PolarHBondContact O-N 2.84Å
331	V	64.3	Low	59.2	Low	72 Å²	72	57.2 Å²	57.2	44%	0.436	30%	0.297	S	S	.	.	H	α-helix	trans	-60.9	-50.2	177.1	170	0	0	0	0	110.1	I327 F328 R333 I334 S335	I327-V331 HydrophobicContact CG2-CG2 4.2Å; I327-V331 WeakPolarHBondContact O-CB 3.49Å; I327-V331 WeakPolarHBondContact O-CG2 3.49Å; I327-V331 PolarHBondContact O-N 2.91Å; F328-V331 PolarHBondContact O-N 3.4Å; V331-R333 PolarHBondContact O-N 2.84Å; V331-I334 PolarHBondContact O-N 3.22Å; V331-S335 VanDerWaalsContact O-CB 3.28Å; V331-S335 WeakPolarHBondContact O-CB 3.2Å; V331-S335 PolarHBondContact O-N 3.41Å; V331-S335 PolarHBondContact O-OG 2.73Å
332	L	57.9	Low	58.3	Low	36 Å²	36	59.4 Å²	59.4	19%	0.188	30%	0.301	C	S	.	.	H	α-helix	trans	-57.6	-38.2	176.6	-75.9	175.4	0	0	0	112.1	F328 S329 N336 L400	F328-L332 HydrophobicContact CD1-CD1 3.73Å; F328-L332 HydrophobicContact CD1-CG 4.3Å; F328-L332 HydrophobicContact CE1-CD1 3.48Å; F328-L332 VanDerWaalsContact CE1-CD1 3.48Å; F328-L332 HydrophobicContact CE1-CD2 4.48Å; F328-L332 HydrophobicContact CE1-CG 4.07Å; F328-L332 HydrophobicContact CG-CD1 4.47Å; F328-L332 HydrophobicContact CZ-CD1 4.06Å; F328-L332 HydrophobicContact CZ-CD2 4.24Å; F328-L332 HydrophobicContact CZ-CG 4.2Å; F328-L332 VanDerWaalsContact O-CB 3.31Å; F328-L332 WeakPolarHBondContact O-CB 3.25Å; F328-L332 VanDerWaalsContact O-CG 3.24Å; F328-L332 WeakPolarHBondContact O-CG 3.32Å; F328-L332 PolarHBondContact O-N 3.15Å; S329-L332 PolarHBondContact O-N 3.19Å; L332-N336 VanDerWaalsContact O-CB 3.3Å; L332-N336 WeakPolarHBondContact O-CB 3.25Å; L332-N336 PolarHBondContact O-N 3.34Å; L332-L400 HydrophobicContact CD1-CD2 4.15Å
333	R	60.4	Low	57.2	Low	25 Å²	25	60.9 Å²	60.9	9%	0.094	31%	0.309	C	S	.	.	H	α-helix	trans	-71.2	-42.5	177	-74.2	169.4	178.5	-172.9	-0.7	113.2	L276 S329 I330 V331 S335 N336 L337 T397 S401	L276-R333 VanDerWaalsContact CG-NH1 3.27Å; S329-R333 WeakPolarHBondContact O-CB 3.21Å; S329-R333 WeakPolarHBondContact O-CD 3.29Å; S329-R333 WeakPolarHBondContact O-CG 3.3Å; S329-R333 PolarHBondContact O-N 3.39Å; I330-R333 PolarHBondContact O-N 2.99Å; V331-R333 PolarHBondContact O-N 2.84Å; R333-S335 VanDerWaalsContact C-N 3.34Å; R333-N336 PolarHBondContact O-N 3.41Å; R333-L337 WeakPolarHBondContact O-CB 3.32Å; R333-L337 PolarHBondContact O-N 2.83Å; R333-T397 HydrophobicContact CG-CG2 3.67Å; R333-S401 PolarHBondContact NH2-OG 2.87Å
334	I	61.1	Low	55.9	Low	99 Å²	99	61 Å²	61	51%	0.508	31%	0.308	S	S	.	.	H	α-helix	trans	-66.2	-41.1	175.3	-68.8	172	0	0	0	109.4	I330 V331 L337 L338	I330-I334 HydrophobicContact CG2-CD1 3.61Å; I330-I334 HydrophobicContact CG2-CG1 4.23Å; I330-I334 WeakPolarHBondContact O-CB 3.07Å; I330-I334 VanDerWaalsContact O-CG1 3.31Å; I330-I334 WeakPolarHBondContact O-CG1 3.29Å; I330-I334 PolarHBondContact O-N 2.84Å; V331-I334 PolarHBondContact O-N 3.22Å; I334-L337 CarbonylContact O-C 3.6Å; I334-L337 PolarHBondContact O-N 2.89Å; I334-L338 VanDerWaalsContact O-CB 3.26Å; I334-L338 WeakPolarHBondContact O-CB 3.47Å; I334-L338 PolarHBondContact O-N 3.31Å
335	S	57.9	Low	54.5	Low	52 Å²	52	63.7 Å²	63.7	36%	0.364	32%	0.316	S	S	.	.	H	α-helix	trans	-60.2	-45.6	173.2	-65.9	0	0	0	0	110.9	V331 R333 L337 L338 I339	V331-S335 VanDerWaalsContact O-CB 3.28Å; V331-S335 WeakPolarHBondContact O-CB 3.2Å; V331-S335 PolarHBondContact O-N 3.41Å; V331-S335 PolarHBondContact O-OG 2.73Å; R333-S335 VanDerWaalsContact C-N 3.34Å; S335-L337 PolarHBondContact O-N 2.9Å; S335-L338 PolarHBondContact O-N 2.9Å; S335-I339 WeakPolarHBondContact O-CB 3.3Å; S335-I339 WeakPolarHBondContact O-CD1 3.41Å; S335-I339 WeakPolarHBondContact O-CG1 3.36Å; S335-I339 PolarHBondContact O-N 3.29Å
336	N	54.3	Low	53.2	Low	26 Å²	26	71 Å²	71	14%	0.139	35%	0.348	C	S	.	.	H	α-helix	trans	-62.3	-42.3	175	-167.3	16.6	0	0	0	111.8	L332 R333 I339 N340	L332-N336 VanDerWaalsContact O-CB 3.3Å; L332-N336 WeakPolarHBondContact O-CB 3.25Å; L332-N336 PolarHBondContact O-N 3.34Å; R333-N336 PolarHBondContact O-N 3.41Å; N336-I339 PolarHBondContact O-N 3.38Å; N336-N340 WeakPolarHBondContact O-CB 3.11Å; N336-N340 VanDerWaalsContact O-CG 3.32Å; N336-N340 PolarHBondContact O-N 2.9Å; N336-N340 PolarHBondContact OD1-ND2 3.38Å
337	L	54.2	Low	51.8	Low	61 Å²	61	72.7 Å²	72.7	32%	0.319	36%	0.359	S	S	.	.	H	α-helix	trans	-62.4	-43.5	174.9	-176.1	148.2	0	0	0	112	Y269 R333 I334 S335 N340 Y341	Y269-L337 HydrophobicContact CE1-CD1 3.8Å; Y269-L337 HydrophobicContact CE1-CG 4.2Å; Y269-L337 WeakPolarHBondContact OH-CA 3.47Å; Y269-L337 WeakPolarHBondContact OH-CB 3.49Å; Y269-L337 WeakPolarHBondContact OH-CD1 3.28Å; Y269-L337 VanDerWaalsContact OH-CG 3.23Å; Y269-L337 WeakPolarHBondContact OH-CG 3.43Å; R333-L337 WeakPolarHBondContact O-CB 3.32Å; R333-L337 PolarHBondContact O-N 2.83Å; I334-L337 CarbonylContact O-C 3.6Å; I334-L337 PolarHBondContact O-N 2.89Å; S335-L337 PolarHBondContact O-N 2.9Å; L337-N340 PolarHBondContact O-N 2.82Å; L337-Y341 WeakPolarHBondContact O-CB 3.14Å; L337-Y341 PolarHBondContact O-N 3.41Å
338	L	53	Low	50.3	Low	95 Å²	95	74.1 Å²	74.1	50%	0.497	37%	0.365	S	S	.	.	H	α-helix	trans	-68.9	-40.8	-179.5	-167.3	74.9	0	0	0	111.1	I334 S335 N342	I334-L338 VanDerWaalsContact O-CB 3.26Å; I334-L338 WeakPolarHBondContact O-CB 3.47Å; I334-L338 PolarHBondContact O-N 3.31Å; S335-L338 PolarHBondContact O-N 2.9Å; L338-N342 VanDerWaalsContact O-CB 3.22Å; L338-N342 WeakPolarHBondContact O-CB 3.31Å; L338-N342 VanDerWaalsContact O-CG 3.29Å; L338-N342 PolarHBondContact O-N 2.69Å; L338-N342 PolarHBondContact O-ND2 2.74Å
339	I	54.2	Low	48.9	Very low	80 Å²	80	77.6 Å²	77.6	41%	0.41	38%	0.38	S	S	.	.	H	α-helix	trans	-60.4	-50.2	173.7	-69.6	163.6	0	0	0	109.3	S335 N336 L343	S335-I339 WeakPolarHBondContact O-CB 3.3Å; S335-I339 WeakPolarHBondContact O-CD1 3.41Å; S335-I339 WeakPolarHBondContact O-CG1 3.36Å; S335-I339 PolarHBondContact O-N 3.29Å; N336-I339 PolarHBondContact O-N 3.38Å; I339-L343 HydrophobicContact CG2-CD1 3.87Å; I339-L343 WeakPolarHBondContact O-CB 3.39Å; I339-L343 WeakPolarHBondContact O-CD1 3.38Å; I339-L343 PolarHBondContact O-N 3.02Å
340	N	48.5	Very low	47.3	Very low	29 Å²	29	82.6 Å²	82.6	16%	0.155	40%	0.403	C	S	.	.	H	α-helix	trans	-66.5	-41.6	-179.3	-74.4	-15.9	0	0	0	113.1	N336 L337 L343 Q344 I362	N336-N340 WeakPolarHBondContact O-CB 3.11Å; N336-N340 VanDerWaalsContact O-CG 3.32Å; N336-N340 PolarHBondContact O-N 2.9Å; N336-N340 PolarHBondContact OD1-ND2 3.38Å; L337-N340 PolarHBondContact O-N 2.82Å; N340-L343 PolarHBondContact O-N 3.44Å; N340-Q344 PolarHBondContact O-N 3.46Å; N340-I362 PolarHBondContact ND2-O 2.83Å
341	Y	47	Very low	45.8	Very low	137 Å²	137	85 Å²	85	54%	0.537	42%	0.416	S	S	.	.	H	α-helix	trans	-67.1	-45.8	178.7	-177.2	-97.6	0	0	0	112.1	L337 L343 Q344 K345	L337-Y341 WeakPolarHBondContact O-CB 3.14Å; L337-Y341 PolarHBondContact O-N 3.41Å; Y341-L343 PolarHBondContact O-N 2.83Å; Y341-Q344 PolarHBondContact O-N 2.77Å; Y341-K345 PolarHBondContact O-N 3.32Å
342	N	42.5	Very low	44.3	Very low	78 Å²	78	87.1 Å²	87.1	42%	0.417	43%	0.43	S	S	.	.	H	α-helix	trans	-60.2	-37.9	175.1	-77.2	-21.5	0	0	0	110.5	L338 K345 F346	L338-N342 VanDerWaalsContact O-CB 3.22Å; L338-N342 WeakPolarHBondContact O-CB 3.31Å; L338-N342 VanDerWaalsContact O-CG 3.29Å; L338-N342 PolarHBondContact O-N 2.69Å; L338-N342 PolarHBondContact O-ND2 2.74Å; N342-K345 PolarHBondContact O-N 3.21Å; N342-F346 WeakPolarHBondContact O-CD2 3.44Å; N342-F346 PolarHBondContact O-N 2.75Å; N342-F346 VanDerWaalsContact O-N 3.13Å
343	L	40.2	Very low	42.8	Very low	33 Å²	33	91.8 Å²	91.8	17%	0.173	45%	0.45	C	S	.	.	H	α-helix	trans	-71.7	-36.1	177.1	-98	121.2	0	0	0	115.1	I339 N340 Y341 K345 F346 T347 I359 K360	I339-L343 HydrophobicContact CG2-CD1 3.87Å; I339-L343 WeakPolarHBondContact O-CB 3.39Å; I339-L343 WeakPolarHBondContact O-CD1 3.38Å; I339-L343 PolarHBondContact O-N 3.02Å; N340-L343 PolarHBondContact O-N 3.44Å; Y341-L343 PolarHBondContact O-N 2.83Å; L343-K345 PolarHBondContact O-N 3Å; L343-F346 PolarHBondContact O-N 3.21Å; L343-T347 PolarHBondContact O-N 2.8Å; L343-T347 PolarHBondContact O-OG1 3.46Å; L343-I359 WeakPolarHBondContact CD2-O 3.48Å; L343-K360 HydrophobicContact CD1-CB 4.48Å; L343-K360 HydrophobicContact CD1-CD 3.2Å; L343-K360 HydrophobicContact CD1-CG 4.44Å; L343-K360 HydrophobicContact CD2-CB 4.03Å; L343-K360 HydrophobicContact CD2-CD 3.68Å; L343-K360 HydrophobicContact CD2-CG 4.39Å; L343-K360 HydrophobicContact CG-CD 3.97Å
344	Q	39.4	Very low	41.3	Very low	62 Å²	62	95.5 Å²	95.5	29%	0.29	48%	0.48	S	S	.	.	H	α-helix	trans	-60.1	-36.2	173.6	-164.6	173	21.6	0	0	111.2	H262 N340 Y341 M348	H262-Q344 PolarHBondContact CE1-NE2 3.29Å; H262-Q344 PolarHBondContact NE2-NE2 3.4Å; N340-Q344 PolarHBondContact O-N 3.46Å; Y341-Q344 PolarHBondContact O-N 2.77Å; Q344-M348 PolarHBondContact O-N 3.48Å
345	K	35.9	Very low	39.7	Very low	158 Å²	158	98.5 Å²	98.5	69%	0.687	50%	0.497	S	S	*	.	H	α-helix	trans	-69.7	-34	173.8	-157.2	177.4	-177.4	-177.4	0	112.6	Y341 N342 L343	Y341-K345 PolarHBondContact O-N 3.32Å; N342-K345 PolarHBondContact O-N 3.21Å; L343-K345 PolarHBondContact O-N 3Å
346	F	32.4	Very low	38.1	Very low	159 Å²	159	101.7 Å²	101.7	70%	0.697	51%	0.509	S	S	*	.	H	α-helix	trans	-74.5	-35.6	176.1	-96.8	-82.9	0	0	0	113.4	N342 L343	N342-F346 WeakPolarHBondContact O-CD2 3.44Å; N342-F346 PolarHBondContact O-N 2.75Å; N342-F346 VanDerWaalsContact O-N 3.13Å; L343-F346 PolarHBondContact O-N 3.21Å
347	T	34.7	Very low	36.9	Very low	44 Å²	44	104.6 Å²	104.6	27%	0.27	53%	0.528	S	S	.	.	H	α-helix	trans	-83	-35.4	-174.6	32.3	0	0	0	0	113.6	L343 K349 H350 L351	L343-T347 PolarHBondContact O-N 2.8Å; L343-T347 PolarHBondContact O-OG1 3.46Å; T347-K349 PolarHBondContact O-N 3.26Å; T347-K349 VanDerWaalsContact O-N 3.11Å; T347-H350 PolarHBondContact O-N 3.23Å; T347-L351 VanDerWaalsContact O-CD1 3.28Å; T347-L351 WeakPolarHBondContact O-CD1 3.16Å; T347-L351 PolarHBondContact O-N 2.84Å
348	M	33.3	Very low	35.8	Very low	128 Å²	128	103.8 Å²	103.8	63%	0.631	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-23.6	178.2	-85.2	-68.1	-163.6	0	0	113.5	Q344	Q344-M348 PolarHBondContact O-N 3.48Å
349	K	31.3	Very low	34.7	Very low	182 Å²	182	104 Å²	104	79%	0.791	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-16.8	176	-132.1	-179	-176.1	-173.4	0	113.8	T347	T347-K349 PolarHBondContact O-N 3.26Å; T347-K349 VanDerWaalsContact O-N 3.11Å
350	H	27.8	Very low	33.8	Very low	104 Å²	104	103.7 Å²	103.7	48%	0.481	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116	-9.7	-171.9	-113.7	-70.5	0	0	0	114.7	T347 T352 H353	T347-H350 PolarHBondContact O-N 3.23Å; H350-T352 PolarHBondContact O-N 3.35Å; H350-H353 PolarHBondContact O-N 2.86Å
351	L	32.1	Very low	33.2	Very low	125 Å²	125	107 Å²	107	65%	0.654	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-8.3	177	-108.7	101.6	0	0	0	114.5	T347	T347-L351 VanDerWaalsContact O-CD1 3.28Å; T347-L351 WeakPolarHBondContact O-CD1 3.16Å; T347-L351 PolarHBondContact O-N 2.84Å
352	T	32.1	Very low	32.5	Very low	117 Å²	117	101 Å²	101	72%	0.718	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-6.6	173.2	46.6	0	0	0	0	113.8	H350	H350-T352 PolarHBondContact O-N 3.35Å
353	H	25.9	Very low	32	Very low	134 Å²	134	98.4 Å²	98.4	62%	0.62	50%	0.5	S	S	*	.	S	Bend	trans	-119.1	113.1	179.2	-77.6	3	0	0	0	111.3	H350	H350-H353 PolarHBondContact O-N 2.86Å
354	S	28.7	Very low	32.1	Very low	103 Å²	103	97.3 Å²	97.3	72%	0.72	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42	146.4	170.9	38.6	0	0	0	0	113.2
355	N	29.1	Very low	32.1	Very low	161 Å²	161	96 Å²	96	86%	0.861	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	5.4	164.9	-56.9	-7.6	0	0	0	119.3
356	L	24.6	Very low	32.4	Very low	120 Å²	120	90.3 Å²	90.3	63%	0.628	46%	0.464	S	S	*	.			trans	-97.1	116.4	168.8	-82.8	134.6	0	0	0	111.4	P358	L356-P358 WeakPolarHBondContact O-CD 3.27Å
357	T	27.3	Very low	32.9	Very low	86 Å²	86	83.7 Å²	83.7	53%	0.528	44%	0.437	S	S	.	.			trans	-39.5	113.8	173.9	48.9	0	0	0	0	111.4	I359	T357-I359 PolarHBondContact O-N 2.84Å
358	P	32.5	Very low	33.2	Very low	45 Å²	45	83.7 Å²	83.7	29%	0.292	44%	0.435	S	S	.	.			trans	-68.6	102.6	175.2	26.3	-33.8	0	0	0	109.1	L356 Y381	L356-P358 WeakPolarHBondContact O-CD 3.27Å; P358-Y381 HydrophobicContact CG-CD1 3.53Å; P358-Y381 HydrophobicContact CG-CE1 3.38Å
359	I	29.8	Very low	33.5	Very low	98 Å²	98	82.5 Å²	82.5	50%	0.503	43%	0.431	S	S	.	.			trans	-91.8	123.5	171.6	-71.1	172.4	0	0	0	107.4	L343 T357	L343-I359 WeakPolarHBondContact CD2-O 3.48Å; T357-I359 PolarHBondContact O-N 2.84Å
360	K	34.7	Very low	34	Very low	74 Å²	74	75.2 Å²	75.2	32%	0.322	40%	0.401	S	S	.	.			trans	79.4	94.9	163.7	-58.2	157.2	-170.8	177.8	0	118.4	L343 I362 E390	L343-K360 HydrophobicContact CD1-CB 4.48Å; L343-K360 HydrophobicContact CD1-CD 3.2Å; L343-K360 HydrophobicContact CD1-CG 4.44Å; L343-K360 HydrophobicContact CD2-CB 4.03Å; L343-K360 HydrophobicContact CD2-CD 3.68Å; L343-K360 HydrophobicContact CD2-CG 4.39Å; L343-K360 HydrophobicContact CG-CD 3.97Å; K360-I362 HydrophobicContact CG-CD1 4.22Å; K360-E390 WeakPolarHBondContact CE-OE1 3.29Å
361	Q	36.7	Very low	34.6	Very low	98 Å²	98	77.7 Å²	77.7	46%	0.458	41%	0.411	S	S	.	.			trans	-127.3	92	136.1	-71.1	-175.7	-4.2	0	0	106.6	T382	Q361-T382 HydrophobicContact CB-CG2 3.87Å
362	I	31.2	Very low	35.2	Very low	11 Å²	11	75.2 Å²	75.2	6%	0.056	40%	0.398	C	S	.	.			trans	-113.9	132.1	-176.1	-70	162.4	0	0	0	107.6	N340 K360 Q386 E390	N340-I362 PolarHBondContact ND2-O 2.83Å; K360-I362 HydrophobicContact CG-CD1 4.22Å; I362-Q386 HydrophobicContact CD1-CG 3.84Å; I362-Q386 HydrophobicContact CG1-CG 3.93Å; I362-Q386 VanDerWaalsContact CG2-NE2 3.27Å; I362-E390 HydrophobicContact CD1-CB 3.74Å; I362-E390 HydrophobicContact CD1-CG 3.84Å; I362-E390 WeakPolarHBondContact CD1-OE1 3.37Å; I362-E390 WeakPolarHBondContact CD1-OE2 3.22Å; I362-E390 HydrophobicContact CG2-CB 4.08Å
363	L	31.9	Very low	35.7	Very low	24 Å²	24	72.6 Å²	72.6	13%	0.126	38%	0.377	C	S	.	.	S	Bend	trans	69.8	108.7	-162.7	-69.9	78.2	0	0	0	112.8	E394	L363-E394 HydrophobicContact CD1-CB 4.05Å; L363-E394 HydrophobicContact CD1-CG 4.16Å; L363-E394 HydrophobicContact CD2-CG 4.02Å; L363-E394 HydrophobicContact CG-CG 4.07Å; L363-E394 WeakPolarHBondContact CG-OE1 3.5Å; L363-E394 WeakPolarHBondContact CG-OE2 3.18Å
364	N	43.6	Very low	36.6	Very low	11 Å²	11	71.5 Å²	71.5	6%	0.059	37%	0.372	C	S	.	.				167.7	72.6	126.5	-77.6	-31	0	0	0	111.9	Y265 Y269 R272 E366 C367	Y265-N364 HydrophobicContact CE2-CB 4.5Å; Y269-N364 WeakPolarHBondContact CD2-ND2 2.76Å; R272-N364 PolarHBondContact NH1-OD1 3.25Å; N364-E366 PolarHBondContact O-N 3.13Å; N364-C367 HydrophobicContact CB-CB 4.11Å; N364-C367 PolarHBondContact O-N 2.78Å
365	F	38.9	Very low	37.5	Very low	34 Å²	34	71.3 Å²	71.3	15%	0.149	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-34.7	169.7	-74.1	-79.5	0	0	0	113.6	Y379 I383 L568 M569 L601	F365-Y379 WeakPolarHBondContact CD1-OH 3.44Å; F365-Y379 WeakPolarHBondContact CE1-OH 3.21Å; F365-I383 HydrophobicContact CE1-CD1 4.09Å; F365-I383 HydrophobicContact CZ-CD1 4.19Å; F365-L568 HydrophobicContact CD1-CD2 4.08Å; F365-L568 HydrophobicContact CD2-CD2 4.27Å; F365-L568 HydrophobicContact CE1-CD2 4.12Å; F365-L568 HydrophobicContact CE2-CD2 4.28Å; F365-L568 HydrophobicContact CG-CD2 4.21Å; F365-L568 HydrophobicContact CZ-CD2 4.24Å; F365-M569 HydrophobicContact CE2-CE 3.92Å; F365-L601 HydrophobicContact CE1-CD2 4.26Å
366	E	41.5	Very low	38.4	Very low	39 Å²	39	65.2 Å²	65.2	18%	0.182	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-22	-173.3	-64.5	-171.5	175.5	0	0	115.2	K240 N364 L608 I612	K240-E366 IonicContact NZ-OE2 3.48Å; K240-E366 PolarHBondContact NZ-OE2 3.49Å; K240-E366 VanDerWaalsContact NZ-OE2 3.1Å; N364-E366 PolarHBondContact O-N 3.13Å; E366-L608 HydrophobicContact CG-CD2 4.24Å; E366-L608 WeakPolarHBondContact OE1-CD2 3.48Å; E366-I612 WeakPolarHBondContact OE1-CD1 3.33Å
367	C	42.3	Very low	39.6	Very low	20 Å²	20	61 Å²	61	14%	0.135	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-12.7	-173.3	-62.6	0	0	0	0	113.2	Y265 C268 N364 L369	Y265-C367 HydrophobicContact CD2-CB 4.17Å; Y265-C367 HydrophobicContact CE2-CB 4.44Å; C268-C367 HydrophobicContact CB-CB 3.67Å; C268-C367 WeakPolarHBondContact CB-SG 3.35Å; C268-C367 WeakPolarHBondContact SG-CA 3.34Å; C268-C367 WeakPolarHBondContact SG-CB 3.34Å; C268-C367 CovalentContact SG-SG 2.04Å; C268-C367 PolarHBondContact SG-SG 2.93Å; N364-C367 HydrophobicContact CB-CB 4.11Å; N364-C367 PolarHBondContact O-N 2.78Å; C367-L369 PolarHBondContact O-N 2.76Å
368	I	42.8	Very low	40.6	Very low	44 Å²	44	60 Å²	60	23%	0.226	29%	0.29	C	S	.	.			trans	-100.9	68.3	-180	-53.5	173.6	0	0	0	108.1	Y265 T370 Y379	Y265-I368 HydrophobicContact CE2-CG1 4.47Å; I368-T370 HydrophobicContact CG2-CG2 4.19Å; I368-T370 WeakPolarHBondContact CG2-OG1 3.4Å; I368-T370 PolarHBondContact O-N 3.4Å; I368-Y379 HydrophobicContact CD1-CD2 3.74Å; I368-Y379 HydrophobicContact CD1-CE2 4.18Å
369	L	39.2	Very low	41.4	Very low	103 Å²	103	60 Å²	60	54%	0.539	29%	0.285	S	S	.	.			trans	-85.4	51.5	163	-150.5	98.5	0	0	0	109.4	C367	C367-L369 PolarHBondContact O-N 2.76Å
370	T	40.7	Very low	42.4	Very low	28 Å²	28	55.6 Å²	55.6	17%	0.172	26%	0.262	C	S	.	.			trans	-89.9	115.9	179.6	52.8	0	0	0	0	109.6	I261 I368 N372 Q376	I261-T370 HydrophobicContact CG2-CG2 4.27Å; I368-T370 HydrophobicContact CG2-CG2 4.19Å; I368-T370 WeakPolarHBondContact CG2-OG1 3.4Å; I368-T370 PolarHBondContact O-N 3.4Å; T370-N372 PolarHBondContact O-N 3.47Å; T370-N372 VanDerWaalsContact O-N 3.09Å; T370-Q376 PolarHBondContact O-NE2 3.06Å
371	K	40.5	Very low	43.1	Very low	156 Å²	156	55.7 Å²	55.7	68%	0.678	26%	0.261	S	S	*	.			trans	-63.6	-3	169.7	-72.4	-178.9	179.9	170.7	0	113.6	P249	P249-K371 HydrophobicContact CG-CD 4.17Å
372	N	44.7	Very low	43.8	Very low	74 Å²	74	51.4 Å²	51.4	40%	0.396	24%	0.241	S	C	.	.			trans	-91.7	120.4	-172.2	-164.3	-5.4	0	0	0	111.4	T370 E374 Y375 Q376	T370-N372 PolarHBondContact O-N 3.47Å; T370-N372 VanDerWaalsContact O-N 3.09Å; N372-E374 PolarHBondContact O-N 3.38Å; N372-Y375 HydrophobicContact CB-CD2 4.01Å; N372-Y375 PolarHBondContact O-N 2.96Å; N372-Q376 WeakPolarHBondContact O-CG 3.41Å; N372-Q376 PolarHBondContact O-N 3.44Å
373	F	43	Very low	44.8	Very low	61 Å²	61	51.7 Å²	51.7	27%	0.268	24%	0.243	S	C	.	.	H	α-helix	trans	-60.6	-40.7	-174.1	-170.5	-114.1	0	0	0	112.7	Y375 Q376 K377 L585 M591 F594	F373-Y375 PolarHBondContact O-N 2.89Å; F373-Q376 WeakPolarHBondContact O-CB 3.24Å; F373-Q376 PolarHBondContact O-N 3.48Å; F373-Q376 VanDerWaalsContact O-N 3.15Å; F373-K377 HydrophobicContact CD1-CD 4.44Å; F373-K377 HydrophobicContact CE1-CD 4.29Å; F373-K377 HydrophobicContact CE1-CG 4.42Å; F373-K377 WeakPolarHBondContact O-CG 3.21Å; F373-K377 PolarHBondContact O-N 3.29Å; F373-L585 HydrophobicContact CE1-CD2 4.23Å; F373-L585 HydrophobicContact CZ-CD2 4.32Å; F373-M591 HydrophobicContact CE1-CE 4.09Å; F373-M591 HydrophobicContact CE1-SD 3.88Å; F373-M591 HydrophobicContact CE2-CE 3.83Å; F373-M591 HydrophobicContact CE2-SD 4.24Å; F373-M591 HydrophobicContact CZ-CE 3.44Å; F373-M591 VanDerWaalsContact CZ-CE 3.44Å; F373-M591 HydrophobicContact CZ-SD 3.32Å; F373-M591 WeakPolarHBondContact CZ-SD 3.17Å; F373-F594 HydrophobicContact CD2-CD1 4.49Å; F373-F594 AromaticContact CD2-CE1 3.89Å; F373-F594 HydrophobicContact CD2-CE1 3.89Å; F373-F594 HydrophobicContact CD2-CZ 4.38Å; F373-F594 AromaticContact CE2-CD1 3.61Å; F373-F594 HydrophobicContact CE2-CD1 3.61Å; F373-F594 AromaticContact CE2-CE1 3.42Å; F373-F594 HydrophobicContact CE2-CE1 3.42Å; F373-F594 VanDerWaalsContact CE2-CE1 3.42Å; F373-F594 HydrophobicContact CE2-CG 4.38Å; F373-F594 HydrophobicContact CE2-CZ 4.06Å; F373-F594 HydrophobicContact CZ-CD1 4.38Å; F373-F594 HydrophobicContact CZ-CE1 4.46Å
374	E	45.6	Very low	45.9	Very low	111 Å²	111	51.8 Å²	51.8	52%	0.519	25%	0.245	S	C	.	.	H	α-helix	trans	-62.4	-38.7	179.6	-69.9	-57.3	140	0	0	113.3	N372 K377 L378	N372-E374 PolarHBondContact O-N 3.38Å; E374-K377 WeakPolarHBondContact O-CB 3.47Å; E374-K377 PolarHBondContact O-N 3.2Å; E374-K377 WeakPolarHBondContact OE1-CE 3.43Å; E374-K377 IonicContact OE1-NZ 3.87Å; E374-K377 PolarHBondContact OE1-NZ 2.91Å; E374-K377 IonicContact OE2-NZ 2.69Å; E374-K377 PolarHBondContact OE2-NZ 3.36Å; E374-L378 PolarHBondContact O-N 3.13Å; E374-L378 VanDerWaalsContact O-N 3.17Å
375	Y	46.8	Very low	46.4	Very low	100 Å²	100	55 Å²	55	39%	0.392	26%	0.262	S	S	.	.	H	α-helix	trans	-73.3	-31.4	176.1	-74.3	-83.9	0	0	0	112.2	N372 F373 K377 L378 Y379	N372-Y375 HydrophobicContact CB-CD2 4.01Å; N372-Y375 PolarHBondContact O-N 2.96Å; F373-Y375 PolarHBondContact O-N 2.89Å; Y375-K377 VanDerWaalsContact C-N 3.31Å; Y375-L378 PolarHBondContact O-N 3.17Å; Y375-Y379 VanDerWaalsContact O-CB 3.25Å; Y375-Y379 WeakPolarHBondContact O-CB 3.13Å; Y375-Y379 PolarHBondContact O-N 3.27Å
376	Q	48.7	Very low	47.2	Very low	32 Å²	32	54.7 Å²	54.7	15%	0.15	26%	0.261	C	S	.	.	H	α-helix	trans	-67.9	-31.9	173.3	-61.3	173.4	-10.9	0	0	111.9	T370 N372 F373 Y379 F380 F594	T370-Q376 PolarHBondContact O-NE2 3.06Å; N372-Q376 WeakPolarHBondContact O-CG 3.41Å; N372-Q376 PolarHBondContact O-N 3.44Å; F373-Q376 WeakPolarHBondContact O-CB 3.24Å; F373-Q376 PolarHBondContact O-N 3.48Å; F373-Q376 VanDerWaalsContact O-N 3.15Å; Q376-Y379 WeakPolarHBondContact O-CB 3.39Å; Q376-F380 PolarHBondContact O-N 3.41Å; Q376-F594 HydrophobicContact CB-CE2 4.42Å; Q376-F594 HydrophobicContact CB-CZ 3.7Å
377	K	48.9	Very low	48	Very low	33 Å²	33	56 Å²	56	14%	0.143	27%	0.272	C	S	.	.	H	α-helix	trans	-64.1	-51.5	170.9	-64.9	174.4	-169.3	-178.9	0	111.8	F373 E374 Y375 Y379 F380 Y381 L585	F373-K377 HydrophobicContact CD1-CD 4.44Å; F373-K377 HydrophobicContact CE1-CD 4.29Å; F373-K377 HydrophobicContact CE1-CG 4.42Å; F373-K377 WeakPolarHBondContact O-CG 3.21Å; F373-K377 PolarHBondContact O-N 3.29Å; E374-K377 WeakPolarHBondContact O-CB 3.47Å; E374-K377 PolarHBondContact O-N 3.2Å; E374-K377 WeakPolarHBondContact OE1-CE 3.43Å; E374-K377 IonicContact OE1-NZ 3.87Å; E374-K377 PolarHBondContact OE1-NZ 2.91Å; E374-K377 IonicContact OE2-NZ 2.69Å; E374-K377 PolarHBondContact OE2-NZ 3.36Å; Y375-K377 VanDerWaalsContact C-N 3.31Å; K377-Y379 PolarHBondContact O-N 3.43Å; K377-F380 PolarHBondContact O-N 2.95Å; K377-F380 VanDerWaalsContact O-N 3.16Å; K377-Y381 WeakPolarHBondContact O-CB 3.38Å; K377-Y381 PolarHBondContact O-N 2.91Å; K377-L585 HydrophobicContact CD-CD1 3.85Å; K377-L585 HydrophobicContact CD-CD2 3.81Å; K377-L585 HydrophobicContact CD-CG 4.49Å; K377-L585 VanDerWaalsContact CE-CD2 3.4Å; K377-L585 HydrophobicContact CG-CD1 4.24Å; K377-L585 HydrophobicContact CG-CD2 4.15Å
378	L	47.7	Very low	48.6	Very low	63 Å²	63	59.3 Å²	59.3	33%	0.33	29%	0.292	S	S	.	.	H	α-helix	trans	-56.8	-40.3	177.8	-172	73.2	0	0	0	110.6	E374 Y375 T382	E374-L378 PolarHBondContact O-N 3.13Å; E374-L378 VanDerWaalsContact O-N 3.17Å; Y375-L378 PolarHBondContact O-N 3.17Å; L378-T382 WeakPolarHBondContact O-CB 3.38Å; L378-T382 PolarHBondContact O-N 3.42Å; L378-T382 PolarHBondContact O-OG1 2.79Å
379	Y	50.4	Low	49.2	Very low	47 Å²	47	62.8 Å²	62.8	18%	0.184	31%	0.31	C	S	.	.	H	α-helix	trans	-60.5	-49.9	174.8	165.7	-94.7	0	0	0	113.1	F365 I368 Y375 Q376 K377 Y381 T382 I383	F365-Y379 WeakPolarHBondContact CD1-OH 3.44Å; F365-Y379 WeakPolarHBondContact CE1-OH 3.21Å; I368-Y379 HydrophobicContact CD1-CD2 3.74Å; I368-Y379 HydrophobicContact CD1-CE2 4.18Å; Y375-Y379 VanDerWaalsContact O-CB 3.25Å; Y375-Y379 WeakPolarHBondContact O-CB 3.13Å; Y375-Y379 PolarHBondContact O-N 3.27Å; Q376-Y379 WeakPolarHBondContact O-CB 3.39Å; K377-Y379 PolarHBondContact O-N 3.43Å; Y379-Y381 PolarHBondContact O-N 3.47Å; Y379-T382 PolarHBondContact O-N 3.5Å; Y379-I383 HydrophobicContact CD1-CD1 3.87Å; Y379-I383 HydrophobicContact CD2-CD1 3.86Å; Y379-I383 HydrophobicContact CE1-CD1 3.37Å; Y379-I383 HydrophobicContact CE2-CD1 3.39Å; Y379-I383 HydrophobicContact CE2-CG1 4.4Å; Y379-I383 HydrophobicContact CG-CD1 4.1Å; Y379-I383 WeakPolarHBondContact O-CG1 3.29Å; Y379-I383 PolarHBondContact O-N 3.25Å; Y379-I383 WeakPolarHBondContact OH-CD1 3.45Å
380	F	50.4	Low	50	Low	5 Å²	5	59.7 Å²	59.7	2%	0.022	29%	0.293	C	S	.	.	H	α-helix	trans	-65.2	-42.1	-179.4	-157	-85	0	0	0	111.7	Q376 K377 T382 I383 C384 W579 V597	Q376-F380 PolarHBondContact O-N 3.41Å; K377-F380 PolarHBondContact O-N 2.95Å; K377-F380 VanDerWaalsContact O-N 3.16Å; F380-T382 VanDerWaalsContact C-N 3.29Å; F380-T382 PolarHBondContact O-N 2.86Å; F380-I383 PolarHBondContact O-N 3.44Å; F380-C384 VanDerWaalsContact CD1-SG 3.57Å; F380-C384 WeakPolarHBondContact CE1-SG 3.34Å; F380-C384 PolarHBondContact O-N 2.85Å; F380-C384 VanDerWaalsContact O-N 3.07Å; F380-C384 PolarHBondContact O-SG 3.37Å; F380-C384 VanDerWaalsContact O-SG 3.38Å; F380-W579 HydrophobicContact CB-CH2 4.04Å; F380-W579 HydrophobicContact CB-CZ3 3.86Å; F380-W579 AromaticContact CD1-CD2 3.92Å; F380-W579 HydrophobicContact CD1-CD2 3.92Å; F380-W579 AromaticContact CD1-CE3 3.07Å; F380-W579 HydrophobicContact CD1-CE3 3.07Å; F380-W579 AromaticContact CD1-CH2 3.81Å; F380-W579 HydrophobicContact CD1-CH2 3.81Å; F380-W579 AromaticContact CD1-CZ3 2.98Å; F380-W579 HydrophobicContact CD1-CZ3 2.98Å; F380-W579 AromaticContact CD2-CZ3 3.99Å; F380-W579 HydrophobicContact CD2-CZ3 3.99Å; F380-W579 HydrophobicContact CE1-CB 4.49Å; F380-W579 AromaticContact CE1-CD2 3.93Å; F380-W579 HydrophobicContact CE1-CD2 3.93Å; F380-W579 AromaticContact CE1-CE3 3.02Å; F380-W579 HydrophobicContact CE1-CE3 3.02Å; F380-W579 AromaticContact CE1-CZ3 3.4Å; F380-W579 HydrophobicContact CE1-CZ3 3.4Å; F380-W579 HydrophobicContact CE2-CZ3 4.35Å; F380-W579 AromaticContact CG-CE3 3.89Å; F380-W579 HydrophobicContact CG-CE3 3.89Å; F380-W579 AromaticContact CG-CH2 3.99Å; F380-W579 HydrophobicContact CG-CH2 3.99Å; F380-W579 AromaticContact CG-CZ3 3.3Å; F380-W579 HydrophobicContact CG-CZ3 3.3Å; F380-W579 AromaticContact CZ-CE3 3.84Å; F380-W579 HydrophobicContact CZ-CE3 3.84Å; F380-W579 HydrophobicContact CZ-CZ3 4.07Å; F380-V597 HydrophobicContact CD2-CG1 4.03Å; F380-V597 HydrophobicContact CE2-CG1 3.37Å; F380-V597 HydrophobicContact CZ-CG1 4.16Å
381	Y	49.7	Very low	50.9	Low	76 Å²	76	59.6 Å²	59.6	30%	0.298	29%	0.29	S	S	.	.	H	α-helix	trans	-58.1	-42.5	174	-173.3	-83.8	0	0	0	111.9	P358 K377 Y379 C384 N385 F581	P358-Y381 HydrophobicContact CG-CD1 3.53Å; P358-Y381 HydrophobicContact CG-CE1 3.38Å; K377-Y381 WeakPolarHBondContact O-CB 3.38Å; K377-Y381 PolarHBondContact O-N 2.91Å; Y379-Y381 PolarHBondContact O-N 3.47Å; Y381-C384 PolarHBondContact O-N 2.91Å; Y381-N385 WeakPolarHBondContact CE1-ND2 3.35Å; Y381-N385 PolarHBondContact O-N 2.91Å; Y381-N385 PolarHBondContact OH-ND2 2.9Å; Y381-F581 AromaticContact CD2-CD1 3.6Å; Y381-F581 HydrophobicContact CD2-CD1 3.6Å; Y381-F581 AromaticContact CD2-CE1 3.44Å; Y381-F581 HydrophobicContact CD2-CE1 3.44Å; Y381-F581 VanDerWaalsContact CD2-CE1 3.44Å; Y381-F581 AromaticContact CE2-CD1 3.66Å; Y381-F581 HydrophobicContact CE2-CD1 3.66Å; Y381-F581 AromaticContact CE2-CE1 3.85Å; Y381-F581 HydrophobicContact CE2-CE1 3.85Å; Y381-F581 HydrophobicContact CG-CE1 4.27Å
382	T	50.4	Low	52	Low	7 Å²	7	60.2 Å²	60.2	4%	0.043	29%	0.288	C	S	.	.	H	α-helix	trans	-70.2	-35.3	-179.1	-52	0	0	0	0	112.6	Q361 L378 Y379 F380 Q386	Q361-T382 HydrophobicContact CB-CG2 3.87Å; L378-T382 WeakPolarHBondContact O-CB 3.38Å; L378-T382 PolarHBondContact O-N 3.42Å; L378-T382 PolarHBondContact O-OG1 2.79Å; Y379-T382 PolarHBondContact O-N 3.5Å; F380-T382 VanDerWaalsContact C-N 3.29Å; F380-T382 PolarHBondContact O-N 2.86Å; T382-Q386 PolarHBondContact O-N 3.44Å
383	I	53.7	Low	52.9	Low	17 Å²	17	59.8 Å²	59.8	9%	0.087	29%	0.286	C	S	.	.	H	α-helix	trans	-67.8	-42	176.6	-73	169.7	0	0	0	111.2	F365 Y379 F380 N385 Q386 Q572	F365-I383 HydrophobicContact CE1-CD1 4.09Å; F365-I383 HydrophobicContact CZ-CD1 4.19Å; Y379-I383 HydrophobicContact CD1-CD1 3.87Å; Y379-I383 HydrophobicContact CD2-CD1 3.86Å; Y379-I383 HydrophobicContact CE1-CD1 3.37Å; Y379-I383 HydrophobicContact CE2-CD1 3.39Å; Y379-I383 HydrophobicContact CE2-CG1 4.4Å; Y379-I383 HydrophobicContact CG-CD1 4.1Å; Y379-I383 WeakPolarHBondContact O-CG1 3.29Å; Y379-I383 PolarHBondContact O-N 3.25Å; Y379-I383 WeakPolarHBondContact OH-CD1 3.45Å; F380-I383 PolarHBondContact O-N 3.44Å; I383-N385 VanDerWaalsContact C-N 3.31Å; I383-N385 PolarHBondContact O-N 3.47Å; I383-Q386 WeakPolarHBondContact O-CB 3.45Å; I383-Q386 PolarHBondContact O-N 3.27Å; I383-Q386 VanDerWaalsContact O-N 3.15Å; I383-Q572 HydrophobicContact CG2-CB 4.35Å; I383-Q572 HydrophobicContact CG2-CG 4.47Å
384	C	55.4	Low	53.8	Low	26 Å²	26	57.4 Å²	57.4	18%	0.176	28%	0.275	C	S	.	.	H	α-helix	trans	-71.3	-26.7	-179.6	-65	0	0	0	0	113.7	F380 Y381 Q386 C576 F581	F380-C384 VanDerWaalsContact CD1-SG 3.57Å; F380-C384 WeakPolarHBondContact CE1-SG 3.34Å; F380-C384 PolarHBondContact O-N 2.85Å; F380-C384 VanDerWaalsContact O-N 3.07Å; F380-C384 PolarHBondContact O-SG 3.37Å; F380-C384 VanDerWaalsContact O-SG 3.38Å; Y381-C384 PolarHBondContact O-N 2.91Å; C384-Q386 VanDerWaalsContact C-N 3.26Å; C384-Q386 PolarHBondContact O-N 3.37Å; C384-C576 WeakPolarHBondContact CA-SG 3.49Å; C384-C576 HydrophobicContact CB-CB 3.65Å; C384-C576 WeakPolarHBondContact CB-SG 3.25Å; C384-C576 WeakPolarHBondContact SG-CA 3.39Å; C384-C576 WeakPolarHBondContact SG-CB 3.37Å; C384-C576 CovalentContact SG-SG 2.04Å; C384-C576 PolarHBondContact SG-SG 3.31Å; C384-F581 HydrophobicContact CB-CE2 4.23Å; C384-F581 HydrophobicContact CB-CZ 3.57Å
385	N	53.5	Low	54.7	Low	79 Å²	79	54.8 Å²	54.8	42%	0.422	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	7.9	172.1	-85.1	-7	0	0	0	113.8	Y381 I383 T387	Y381-N385 WeakPolarHBondContact CE1-ND2 3.35Å; Y381-N385 PolarHBondContact O-N 2.91Å; Y381-N385 PolarHBondContact OH-ND2 2.9Å; I383-N385 VanDerWaalsContact C-N 3.31Å; I383-N385 PolarHBondContact O-N 3.47Å; N385-T387 PolarHBondContact O-N 3.04Å
386	Q	56.4	Low	55.6	Low	27 Å²	27	53 Å²	53	13%	0.126	26%	0.263	C	S	.	.			trans	-67.3	133.6	179.2	-172.6	173.2	8.7	0	0	110.9	I362 T382 I383 C384 E390 Q391	I362-Q386 HydrophobicContact CD1-CG 3.84Å; I362-Q386 HydrophobicContact CG1-CG 3.93Å; I362-Q386 VanDerWaalsContact CG2-NE2 3.27Å; T382-Q386 PolarHBondContact O-N 3.44Å; I383-Q386 WeakPolarHBondContact O-CB 3.45Å; I383-Q386 PolarHBondContact O-N 3.27Å; I383-Q386 VanDerWaalsContact O-N 3.15Å; C384-Q386 VanDerWaalsContact C-N 3.26Å; C384-Q386 PolarHBondContact O-N 3.37Å; Q386-E390 HydrophobicContact CG-CB 4.37Å; Q386-Q391 HydrophobicContact CG-CG 3.85Å
387	T	56.5	Low	56.4	Low	67 Å²	67	51.9 Å²	51.9	41%	0.411	26%	0.259	S	S	.	.			trans	-75.2	144.1	174.5	67.3	0	0	0	0	110.6	N385 I389 E390 Q391	N385-T387 PolarHBondContact O-N 3.04Å; T387-I389 PolarHBondContact O-N 3.08Å; T387-I389 VanDerWaalsContact O-N 3.13Å; T387-E390 PolarHBondContact N-OE2 2.92Å; T387-E390 PolarHBondContact O-N 3.07Å; T387-E390 VanDerWaalsContact OG1-CG 3.31Å; T387-E390 WeakPolarHBondContact OG1-CG 3.14Å; T387-E390 PolarHBondContact OG1-N 3.06Å; T387-E390 PolarHBondContact OG1-OE2 2.75Å; T387-Q391 PolarHBondContact O-N 3.01Å
388	T	55.4	Low	57.2	Low	90 Å²	90	51.4 Å²	51.4	55%	0.552	26%	0.258	S	S	*	.	H	α-helix	trans	-52.9	-35.1	174.4	50.4	0	0	0	0	111.8	E390 Q391 W392	T388-E390 PolarHBondContact O-N 2.62Å; T388-Q391 PolarHBondContact O-N 3.39Å; T388-W392 PolarHBondContact O-N 3.38Å
389	I	54.8	Low	58.2	Low	116 Å²	116	51.5 Å²	51.5	60%	0.595	26%	0.258	S	S	*	.	H	α-helix	trans	-61	-44.2	178.4	-63.1	172.8	0	0	0	111.6	T387 W392 I393	T387-I389 PolarHBondContact O-N 3.08Å; T387-I389 VanDerWaalsContact O-N 3.13Å; I389-W392 PolarHBondContact O-N 3.37Å; I389-I393 HydrophobicContact CG2-CD1 3.88Å; I389-I393 HydrophobicContact CG2-CG1 4.46Å; I389-I393 VanDerWaalsContact O-CG1 3.29Å; I389-I393 WeakPolarHBondContact O-CG1 3.39Å; I389-I393 PolarHBondContact O-N 3.43Å
390	E	57.5	Low	58.8	Low	39 Å²	39	50.4 Å²	50.4	18%	0.182	26%	0.255	C	S	.	.	H	α-helix	trans	-70.7	-33.4	-177.7	-69.1	159.4	142.2	0	0	112	K360 I362 Q386 T387 T388 I393 E394	K360-E390 WeakPolarHBondContact CE-OE1 3.29Å; I362-E390 HydrophobicContact CD1-CB 3.74Å; I362-E390 HydrophobicContact CD1-CG 3.84Å; I362-E390 WeakPolarHBondContact CD1-OE1 3.37Å; I362-E390 WeakPolarHBondContact CD1-OE2 3.22Å; I362-E390 HydrophobicContact CG2-CB 4.08Å; Q386-E390 HydrophobicContact CG-CB 4.37Å; T387-E390 PolarHBondContact N-OE2 2.92Å; T387-E390 PolarHBondContact O-N 3.07Å; T387-E390 VanDerWaalsContact OG1-CG 3.31Å; T387-E390 WeakPolarHBondContact OG1-CG 3.14Å; T387-E390 PolarHBondContact OG1-N 3.06Å; T387-E390 PolarHBondContact OG1-OE2 2.75Å; T388-E390 PolarHBondContact O-N 2.62Å; E390-I393 PolarHBondContact O-N 3.08Å; E390-E394 PolarHBondContact O-N 3.34Å
391	Q	59.1	Low	59.5	Low	25 Å²	25	50.1 Å²	50.1	12%	0.117	25%	0.254	C	S	.	.	H	α-helix	trans	-65.1	-43.6	170.7	-67.8	177.5	-12.8	0	0	111.8	Q386 T387 T388 I393 E394 I395	Q386-Q391 HydrophobicContact CG-CG 3.85Å; T387-Q391 PolarHBondContact O-N 3.01Å; T388-Q391 PolarHBondContact O-N 3.39Å; Q391-I393 VanDerWaalsContact C-N 3.33Å; Q391-I393 PolarHBondContact O-N 3.46Å; Q391-E394 PolarHBondContact O-N 3.21Å; Q391-I395 WeakPolarHBondContact O-CG1 3.22Å; Q391-I395 PolarHBondContact O-N 3.32Å; Q391-I395 VanDerWaalsContact O-N 3.08Å
392	W	63.2	Low	60.2	Low	169 Å²	169	46.7 Å²	46.7	64%	0.64	24%	0.241	S	C	*	.	H	α-helix	trans	-61.9	-40.4	174.9	-83.7	111.1	0	0	0	112	T388 I389 E394 I395 V396	T388-W392 PolarHBondContact O-N 3.38Å; I389-W392 PolarHBondContact O-N 3.37Å; W392-E394 VanDerWaalsContact C-N 3.33Å; W392-E394 PolarHBondContact O-N 2.88Å; W392-I395 PolarHBondContact O-N 2.88Å; W392-V396 WeakPolarHBondContact O-CB 3.34Å; W392-V396 WeakPolarHBondContact O-CG2 3.34Å; W392-V396 PolarHBondContact O-N 3.35Å
393	I	63.6	Low	61.1	Low	66 Å²	66	47.6 Å²	47.6	34%	0.338	25%	0.245	S	C	.	.	H	α-helix	trans	-61.2	-41.1	176.5	-70.6	165.7	0	0	0	111	I389 E390 Q391 T397	I389-I393 HydrophobicContact CG2-CD1 3.88Å; I389-I393 HydrophobicContact CG2-CG1 4.46Å; I389-I393 VanDerWaalsContact O-CG1 3.29Å; I389-I393 WeakPolarHBondContact O-CG1 3.39Å; I389-I393 PolarHBondContact O-N 3.43Å; E390-I393 PolarHBondContact O-N 3.08Å; Q391-I393 VanDerWaalsContact C-N 3.33Å; Q391-I393 PolarHBondContact O-N 3.46Å; I393-T397 VanDerWaalsContact O-CB 3.25Å; I393-T397 WeakPolarHBondContact O-CB 3.26Å; I393-T397 PolarHBondContact O-N 3.48Å; I393-T397 PolarHBondContact O-OG1 2.93Å
394	E	61.7	Low	61.9	Low	11 Å²	11	49.7 Å²	49.7	5%	0.051	26%	0.256	C	S	.	.	H	α-helix	trans	-64	-47.3	176.6	-177.7	170.3	-165.1	0	0	111.9	R272 L363 E390 Q391 W392 T397 N398	R272-E394 IonicContact NH2-OE1 2.69Å; L363-E394 HydrophobicContact CD1-CB 4.05Å; L363-E394 HydrophobicContact CD1-CG 4.16Å; L363-E394 HydrophobicContact CD2-CG 4.02Å; L363-E394 HydrophobicContact CG-CG 4.07Å; L363-E394 WeakPolarHBondContact CG-OE1 3.5Å; L363-E394 WeakPolarHBondContact CG-OE2 3.18Å; E390-E394 PolarHBondContact O-N 3.34Å; Q391-E394 PolarHBondContact O-N 3.21Å; W392-E394 VanDerWaalsContact C-N 3.33Å; W392-E394 PolarHBondContact O-N 2.88Å; E394-T397 PolarHBondContact O-N 3.5Å; E394-N398 WeakPolarHBondContact O-CB 3.41Å; E394-N398 PolarHBondContact O-N 3.46Å; E394-N398 PolarHBondContact O-ND2 3.36Å
395	I	65.9	Low	62.4	Low	56 Å²	56	48.4 Å²	48.4	29%	0.287	25%	0.248	S	C	.	.	H	α-helix	trans	-60.5	-48.8	178.2	-68.3	168.7	0	0	0	110.3	Q391 W392 T397 N398 I399 L562	Q391-I395 WeakPolarHBondContact O-CG1 3.22Å; Q391-I395 PolarHBondContact O-N 3.32Å; Q391-I395 VanDerWaalsContact O-N 3.08Å; W392-I395 PolarHBondContact O-N 2.88Å; I395-T397 VanDerWaalsContact C-N 3.33Å; I395-T397 PolarHBondContact O-N 3.32Å; I395-N398 PolarHBondContact O-N 3.38Å; I395-I399 HydrophobicContact CG2-CD1 3.65Å; I395-I399 HydrophobicContact CG2-CG1 4.38Å; I395-I399 VanDerWaalsContact O-CG1 3.26Å; I395-I399 WeakPolarHBondContact O-CG1 3.23Å; I395-I399 PolarHBondContact O-N 2.84Å; I395-L562 HydrophobicContact CG2-CD1 4.3Å
396	V	66	Low	63.1	Low	61 Å²	61	44.7 Å²	44.7	37%	0.37	23%	0.227	S	C	.	.	H	α-helix	trans	-61.4	-42.9	178.9	170.2	0	0	0	0	110.8	W392 N398 I399 L400	W392-V396 WeakPolarHBondContact O-CB 3.34Å; W392-V396 WeakPolarHBondContact O-CG2 3.34Å; W392-V396 PolarHBondContact O-N 3.35Å; V396-N398 VanDerWaalsContact C-N 3.34Å; V396-N398 PolarHBondContact O-N 3.48Å; V396-I399 PolarHBondContact O-N 2.85Å; V396-L400 WeakPolarHBondContact O-CB 3.49Å; V396-L400 PolarHBondContact O-N 2.9Å
397	T	64.8	Low	63.9	Low	10 Å²	10	48.4 Å²	48.4	6%	0.061	24%	0.244	C	C	.	.	H	α-helix	trans	-62.9	-42	178.7	-57.7	0	0	0	0	111.4	R333 I393 E394 I395 L400 S401	R333-T397 HydrophobicContact CG-CG2 3.67Å; I393-T397 VanDerWaalsContact O-CB 3.25Å; I393-T397 WeakPolarHBondContact O-CB 3.26Å; I393-T397 PolarHBondContact O-N 3.48Å; I393-T397 PolarHBondContact O-OG1 2.93Å; E394-T397 PolarHBondContact O-N 3.5Å; I395-T397 VanDerWaalsContact C-N 3.33Å; I395-T397 PolarHBondContact O-N 3.32Å; T397-L400 PolarHBondContact O-N 3.41Å; T397-S401 VanDerWaalsContact O-CB 3.32Å; T397-S401 WeakPolarHBondContact O-CB 3.46Å; T397-S401 PolarHBondContact O-N 3.43Å; T397-S401 PolarHBondContact O-OG 3.48Å; T397-S401 VanDerWaalsContact O-OG 3.06Å
398	N	66.1	Low	64.5	Low	22 Å²	22	45.9 Å²	45.9	12%	0.118	23%	0.227	C	C	.	.	H	α-helix	trans	-66.9	-40	176.4	-72.9	-24.6	0	0	0	112.2	E394 I395 V396 S401 D402	E394-N398 WeakPolarHBondContact O-CB 3.41Å; E394-N398 PolarHBondContact O-N 3.46Å; E394-N398 PolarHBondContact O-ND2 3.36Å; I395-N398 PolarHBondContact O-N 3.38Å; V396-N398 VanDerWaalsContact C-N 3.34Å; V396-N398 PolarHBondContact O-N 3.48Å; N398-S401 PolarHBondContact O-OG 3.27Å; N398-D402 WeakPolarHBondContact O-CB 3.41Å; N398-D402 PolarHBondContact O-N 2.86Å
399	I	67.2	Low	65.1	Low	65 Å²	65	41.6 Å²	41.6	33%	0.333	20%	0.201	S	C	.	.	I	π-helix	trans	-63.1	-47.3	175.8	-69.3	165.5	0	0	0	110.2	I395 V396 S401 I403 L404	I395-I399 HydrophobicContact CG2-CD1 3.65Å; I395-I399 HydrophobicContact CG2-CG1 4.38Å; I395-I399 VanDerWaalsContact O-CG1 3.26Å; I395-I399 WeakPolarHBondContact O-CG1 3.23Å; I395-I399 PolarHBondContact O-N 2.84Å; V396-I399 PolarHBondContact O-N 2.85Å; I399-S401 VanDerWaalsContact C-N 3.35Å; I399-S401 PolarHBondContact O-N 3.35Å; I399-I403 HydrophobicContact CG1-CD1 4.1Å; I399-I403 HydrophobicContact CG2-CB 4.43Å; I399-I403 WeakPolarHBondContact O-CB 3.35Å; I399-I403 PolarHBondContact O-N 2.9Å; I399-L404 PolarHBondContact O-N 2.85Å
400	L	64.2	Low	66	Low	24 Å²	24	38.1 Å²	38.1	13%	0.126	18%	0.182	C	C	.	.	I	π-helix	trans	-69.9	-31.9	-175.4	-169.8	76.4	0	0	0	112.9	S325 F328 S329 L332 V396 T397 L404 P405	S325-L400 WeakPolarHBondContact O-CD2 3.13Å; S325-L400 WeakPolarHBondContact O-CG 3.38Å; S325-L400 VanDerWaalsContact OG-CD1 3.28Å; S325-L400 WeakPolarHBondContact OG-CD1 3.16Å; S325-L400 PolarHBondContact OG-O 3.31Å; S325-L400 VanDerWaalsContact OG-O 3.08Å; F328-L400 HydrophobicContact CB-CD2 4Å; F328-L400 HydrophobicContact CD1-CD2 3.45Å; F328-L400 VanDerWaalsContact CD1-CD2 3.45Å; F328-L400 HydrophobicContact CE1-CD2 4.38Å; F328-L400 HydrophobicContact CG-CD2 4.15Å; S329-L400 VanDerWaalsContact N-CD2 3.34Å; L332-L400 HydrophobicContact CD1-CD2 4.15Å; V396-L400 WeakPolarHBondContact O-CB 3.49Å; V396-L400 PolarHBondContact O-N 2.9Å; T397-L400 PolarHBondContact O-N 3.41Å; L400-L404 HydrophobicContact CD1-CD2 4.03Å; L400-P405 WeakPolarHBondContact O-CD 3.35Å
401	S	63.7	Low	66.7	Low	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.186	C	C	.	.	I	π-helix	trans	-87.2	-31.3	-179.4	68.5	0	0	0	0	114.8	W326 S329 R333 T397 N398 I399 P405	W326-S401 WeakPolarHBondContact CH2-O 3.15Å; S329-S401 VanDerWaalsContact OG-CB 3.31Å; S329-S401 WeakPolarHBondContact OG-CB 3.3Å; R333-S401 PolarHBondContact NH2-OG 2.87Å; T397-S401 VanDerWaalsContact O-CB 3.32Å; T397-S401 WeakPolarHBondContact O-CB 3.46Å; T397-S401 PolarHBondContact O-N 3.43Å; T397-S401 PolarHBondContact O-OG 3.48Å; T397-S401 VanDerWaalsContact O-OG 3.06Å; N398-S401 PolarHBondContact O-OG 3.27Å; I399-S401 VanDerWaalsContact C-N 3.35Å; I399-S401 PolarHBondContact O-N 3.35Å; S401-P405 WeakPolarHBondContact O-CG 2.85Å
402	D	65.7	Low	67.3	Low	3 Å²	3	37 Å²	37	2%	0.016	18%	0.181	C	C	.	.	I	π-helix	trans	-117.8	-44	-167.4	-61.3	2.2	0	0	0	111.1	N398 N406 H558 R561	N398-D402 WeakPolarHBondContact O-CB 3.41Å; N398-D402 PolarHBondContact O-N 2.86Å; D402-N406 WeakPolarHBondContact O-CB 3.33Å; D402-N406 PolarHBondContact O-ND2 3.48Å; D402-N406 PolarHBondContact O-OD1 2.8Å; D402-H558 IonicContact OD2-CE1 2.76Å; D402-H558 IonicContact OD2-ND1 3.97Å; D402-R561 IonicContact OD2-CZ 3.43Å; D402-R561 IonicContact OD2-NH1 3.79Å; D402-R561 PolarHBondContact OD2-NH1 3.19Å; D402-R561 IonicContact OD2-NH2 3.83Å; D402-R561 PolarHBondContact OD2-NH2 2.92Å
403	I	69.9	Low	67.6	Low	26 Å²	26	29 Å²	29	13%	0.133	15%	0.15	C	C	.	.	I	π-helix	trans	-79.1	-47.8	-177	-65.6	172.4	0	0	0	111.3	I399 N406 F407 L555 H558 F559 L562	I399-I403 HydrophobicContact CG1-CD1 4.1Å; I399-I403 HydrophobicContact CG2-CB 4.43Å; I399-I403 WeakPolarHBondContact O-CB 3.35Å; I399-I403 PolarHBondContact O-N 2.9Å; I403-N406 PolarHBondContact O-N 2.85Å; I403-F407 WeakPolarHBondContact O-CB 3.47Å; I403-F407 PolarHBondContact O-N 3.42Å; I403-L555 HydrophobicContact CG2-CD1 3.92Å; I403-H558 HydrophobicContact CG1-CB 4.11Å; I403-F559 HydrophobicContact CD1-CE1 4.48Å; I403-L562 HydrophobicContact CD1-CD2 4.36Å
404	L	68.6	Low	68.1	Low	61 Å²	61	29.4 Å²	29.4	32%	0.319	15%	0.153	S	C	.	.	H	α-helix	trans	-66.1	-44.5	-174.6	-176	56.6	0	0	0	113	S325 I399 L400 N406 F407 L408	S325-L404 VanDerWaalsContact OG-CD2 3.27Å; S325-L404 WeakPolarHBondContact OG-CD2 3.39Å; I399-L404 PolarHBondContact O-N 2.85Å; L400-L404 HydrophobicContact CD1-CD2 4.03Å; L404-N406 VanDerWaalsContact C-N 3.32Å; L404-N406 PolarHBondContact O-N 3.13Å; L404-F407 PolarHBondContact O-N 3.44Å; L404-L408 HydrophobicContact CD1-CD1 4.35Å; L404-L408 HydrophobicContact CD1-CG 4.31Å; L404-L408 HydrophobicContact CG-CD1 4.22Å; L404-L408 WeakPolarHBondContact O-CG 3.48Å; L404-L408 PolarHBondContact O-N 3.1Å
405	P	67.7	Low	68.5	Low	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.6	-40.3	174.9	-29	41.4	0	0	0	112.6	F322 W326 L400 S401 L408 V409	F322-P405 HydrophobicContact CE2-CB 3.83Å; W326-P405 HydrophobicContact CD2-CG 4.33Å; W326-P405 VanDerWaalsContact CE2-CG 3.46Å; W326-P405 HydrophobicContact CH2-CG 4Å; W326-P405 HydrophobicContact CZ2-CB 3.59Å; W326-P405 HydrophobicContact CZ2-CG 3.34Å; L400-P405 WeakPolarHBondContact O-CD 3.35Å; S401-P405 WeakPolarHBondContact O-CG 2.85Å; P405-L408 PolarHBondContact O-N 3Å; P405-V409 WeakPolarHBondContact O-CG2 3.33Å; P405-V409 PolarHBondContact O-N 3.25Å
406	N	68.1	Low	68.6	Low	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.7	-46.7	176.6	-67.8	1.8	0	0	0	110.9	W283 D402 I403 L404 L408 V409 F410 S551 H558	W283-N406 WeakPolarHBondContact CH2-OD1 3.5Å; W283-N406 WeakPolarHBondContact CZ2-OD1 3.42Å; D402-N406 WeakPolarHBondContact O-CB 3.33Å; D402-N406 PolarHBondContact O-ND2 3.48Å; D402-N406 PolarHBondContact O-OD1 2.8Å; I403-N406 PolarHBondContact O-N 2.85Å; L404-N406 VanDerWaalsContact C-N 3.32Å; L404-N406 PolarHBondContact O-N 3.13Å; N406-L408 VanDerWaalsContact C-N 3.27Å; N406-L408 PolarHBondContact O-N 3.42Å; N406-V409 PolarHBondContact O-N 3.35Å; N406-F410 WeakPolarHBondContact O-CB 3.31Å; N406-F410 PolarHBondContact O-N 3.48Å; N406-S551 PolarHBondContact O-OG 2.94Å; N406-H558 PolarHBondContact ND2-CD2 3.3Å; N406-H558 PolarHBondContact ND2-NE2 2.75Å
407	F	71.7	Confident	68.9	Low	106 Å²	106	27.7 Å²	27.7	47%	0.465	14%	0.141	S	C	.	.	H	α-helix	trans	-59.5	-38.7	177.3	-177.9	-97.2	0	0	0	112.5	I403 L404 F410 S411	I403-F407 WeakPolarHBondContact O-CB 3.47Å; I403-F407 PolarHBondContact O-N 3.42Å; L404-F407 PolarHBondContact O-N 3.44Å; F407-F410 PolarHBondContact O-N 3.26Å; F407-S411 WeakPolarHBondContact O-CB 3.42Å; F407-S411 PolarHBondContact O-N 2.83Å; F407-S411 PolarHBondContact O-OG 3.3Å
408	L	69.4	Low	69.2	Low	13 Å²	13	33.3 Å²	33.3	7%	0.068	17%	0.165	C	C	.	.	H	α-helix	trans	-67.3	-43.9	176.3	-70.5	169.8	0	0	0	111.8	L318 F322 L404 P405 N406 S411 I412	L318-L408 HydrophobicContact CD2-CD2 3.61Å; F322-L408 HydrophobicContact CB-CD1 3.9Å; F322-L408 HydrophobicContact CD2-CB 4.27Å; F322-L408 HydrophobicContact CD2-CD1 3.76Å; F322-L408 HydrophobicContact CG-CD1 4.32Å; L404-L408 HydrophobicContact CD1-CD1 4.35Å; L404-L408 HydrophobicContact CD1-CG 4.31Å; L404-L408 HydrophobicContact CG-CD1 4.22Å; L404-L408 WeakPolarHBondContact O-CG 3.48Å; L404-L408 PolarHBondContact O-N 3.1Å; P405-L408 PolarHBondContact O-N 3Å; N406-L408 VanDerWaalsContact C-N 3.27Å; N406-L408 PolarHBondContact O-N 3.42Å; L408-S411 PolarHBondContact O-N 3.47Å; L408-I412 WeakPolarHBondContact O-CG1 3.12Å; L408-I412 PolarHBondContact O-N 2.93Å
409	V	69.4	Low	69.2	Low	1 Å²	1	32.9 Å²	32.9	1%	0.006	16%	0.163	C	C	.	.	H	α-helix	trans	-62.1	-43.5	174.6	166.6	0	0	0	0	111.5	W283 I286 F287 I290 P405 N406 S413	W283-V409 HydrophobicContact CE3-CG2 3.95Å; W283-V409 HydrophobicContact CZ3-CB 4.14Å; W283-V409 HydrophobicContact CZ3-CG1 4.02Å; W283-V409 HydrophobicContact CZ3-CG2 4.06Å; I286-V409 HydrophobicContact CG2-CG1 4.11Å; I286-V409 HydrophobicContact CG2-CG2 4.38Å; F287-V409 HydrophobicContact CD2-CG2 4.36Å; I290-V409 HydrophobicContact CD1-CB 4.33Å; I290-V409 HydrophobicContact CD1-CG1 3.63Å; I290-V409 HydrophobicContact CD1-CG2 4.25Å; P405-V409 WeakPolarHBondContact O-CG2 3.33Å; P405-V409 PolarHBondContact O-N 3.25Å; N406-V409 PolarHBondContact O-N 3.35Å; V409-S413 VanDerWaalsContact O-CB 3.27Å; V409-S413 WeakPolarHBondContact O-CB 3.36Å; V409-S413 PolarHBondContact O-N 3Å; V409-S413 PolarHBondContact O-OG 3.24Å
410	F	72.2	Confident	69.3	Low	43 Å²	43	29.9 Å²	29.9	19%	0.189	15%	0.148	C	C	.	.	H	α-helix	trans	-57.2	-52.3	174.8	-179.2	-103.5	0	0	0	111.6	N406 F407 I412 S413 I414 I548 S551 L552	N406-F410 WeakPolarHBondContact O-CB 3.31Å; N406-F410 PolarHBondContact O-N 3.48Å; F407-F410 PolarHBondContact O-N 3.26Å; F410-I412 PolarHBondContact O-N 3.06Å; F410-S413 PolarHBondContact O-N 3.32Å; F410-I414 HydrophobicContact CD1-CD1 3.77Å; F410-I414 HydrophobicContact CE1-CD1 3.28Å; F410-I414 HydrophobicContact CE1-CG1 4.49Å; F410-I414 HydrophobicContact CE2-CD1 4.12Å; F410-I414 HydrophobicContact CG-CD1 4.37Å; F410-I414 HydrophobicContact CZ-CD1 3.49Å; F410-I414 VanDerWaalsContact CZ-CD1 3.49Å; F410-I414 WeakPolarHBondContact O-CG1 3.49Å; F410-I414 PolarHBondContact O-N 2.68Å; F410-I548 HydrophobicContact CD2-CG2 4.16Å; F410-I548 HydrophobicContact CE2-CG2 3.73Å; F410-S551 WeakPolarHBondContact CB-OG 3.46Å; F410-L552 HydrophobicContact CE2-CD1 4.1Å; F410-L552 HydrophobicContact CZ-CD1 4.47Å
411	S	72.5	Confident	69.5	Low	39 Å²	39	33.2 Å²	33.2	27%	0.273	16%	0.161	S	C	.	.	H	α-helix	trans	-60.6	-43.8	-176.8	-61.3	0	0	0	0	111.9	F407 L408 F415	F407-S411 WeakPolarHBondContact O-CB 3.42Å; F407-S411 PolarHBondContact O-N 2.83Å; F407-S411 PolarHBondContact O-OG 3.3Å; L408-S411 PolarHBondContact O-N 3.47Å; S411-F415 PolarHBondContact O-N 3.39Å; S411-F415 VanDerWaalsContact O-N 3.07Å
412	I	71.3	Confident	69.7	Low	1 Å²	1	37.6 Å²	37.6	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-72.6	-35.3	178.8	-62.1	168.8	0	0	0	111.6	F287 I290 F315 L318 L408 F410 I414 F415 N416	F287-I412 HydrophobicContact CD2-CD1 3.99Å; F287-I412 HydrophobicContact CE2-CD1 3.24Å; F287-I412 HydrophobicContact CZ-CD1 4Å; I290-I412 HydrophobicContact CG2-CB 3.96Å; I290-I412 HydrophobicContact CG2-CG2 3.15Å; F315-I412 HydrophobicContact CE1-CB 4.5Å; F315-I412 HydrophobicContact CE1-CD1 4.39Å; F315-I412 HydrophobicContact CE1-CG1 4.16Å; F315-I412 HydrophobicContact CE1-CG2 3.59Å; F315-I412 HydrophobicContact CZ-CG2 4.19Å; L318-I412 HydrophobicContact CD1-CD1 4.44Å; L318-I412 HydrophobicContact CD1-CG1 4.08Å; L408-I412 WeakPolarHBondContact O-CG1 3.12Å; L408-I412 PolarHBondContact O-N 2.93Å; F410-I412 PolarHBondContact O-N 3.06Å; I412-I414 VanDerWaalsContact C-N 3.31Å; I412-I414 PolarHBondContact O-N 3.39Å; I412-F415 CarbonylContact O-C 3.6Å; I412-F415 WeakPolarHBondContact O-CB 3.29Å; I412-F415 PolarHBondContact O-N 2.87Å; I412-F415 VanDerWaalsContact O-N 3.12Å; I412-N416 PolarHBondContact O-N 3.42Å
413	S	70.2	Confident	69.6	Low	0 Å²	0	38 Å²	38	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-64.1	-39.2	177.3	-59	0	0	0	0	111.3	V409 F410 F415 N416 C417 L547	V409-S413 VanDerWaalsContact O-CB 3.27Å; V409-S413 WeakPolarHBondContact O-CB 3.36Å; V409-S413 PolarHBondContact O-N 3Å; V409-S413 PolarHBondContact O-OG 3.24Å; F410-S413 PolarHBondContact O-N 3.32Å; S413-F415 VanDerWaalsContact C-N 3.34Å; S413-N416 PolarHBondContact O-N 3.46Å; S413-C417 WeakPolarHBondContact O-CB 3.37Å; S413-C417 PolarHBondContact O-N 3.44Å; S413-L547 WeakPolarHBondContact OG-CB 3.48Å
414	I	73.5	Confident	69.4	Low	76 Å²	76	41.1 Å²	41.1	39%	0.39	19%	0.193	S	C	.	.	H	α-helix	trans	-60.8	-45.3	170.2	-69.1	173.9	0	0	0	110.7	F410 I412 N416 C417 F418 I548	F410-I414 HydrophobicContact CD1-CD1 3.77Å; F410-I414 HydrophobicContact CE1-CD1 3.28Å; F410-I414 HydrophobicContact CE1-CG1 4.49Å; F410-I414 HydrophobicContact CE2-CD1 4.12Å; F410-I414 HydrophobicContact CG-CD1 4.37Å; F410-I414 HydrophobicContact CZ-CD1 3.49Å; F410-I414 VanDerWaalsContact CZ-CD1 3.49Å; F410-I414 WeakPolarHBondContact O-CG1 3.49Å; F410-I414 PolarHBondContact O-N 2.68Å; I412-I414 VanDerWaalsContact C-N 3.31Å; I412-I414 PolarHBondContact O-N 3.39Å; I414-N416 PolarHBondContact O-N 3.25Å; I414-C417 VanDerWaalsContact O-CB 3.31Å; I414-C417 WeakPolarHBondContact O-CB 3.13Å; I414-C417 PolarHBondContact O-N 3.45Å; I414-F418 PolarHBondContact O-N 2.96Å; I414-I548 HydrophobicContact CG1-CD1 3.79Å; I414-I548 HydrophobicContact CG1-CG1 4.02Å
415	F	71.2	Confident	69.3	Low	62 Å²	62	41.2 Å²	41.2	27%	0.272	19%	0.193	S	C	.	.	H	α-helix	trans	-61.2	-44	178.1	-177.7	-85.6	0	0	0	112.3	I311 F315 S411 I412 S413 C417 F418 L419	I311-F415 HydrophobicContact CB-CZ 4.43Å; I311-F415 HydrophobicContact CD1-CZ 4.01Å; I311-F415 HydrophobicContact CG1-CE2 4.46Å; I311-F415 HydrophobicContact CG1-CZ 3.88Å; I311-F415 HydrophobicContact CG2-CE1 4.06Å; I311-F415 HydrophobicContact CG2-CZ 3.73Å; F315-F415 AromaticContact CE2-CD1 3.77Å; F315-F415 HydrophobicContact CE2-CD1 3.77Å; F315-F415 AromaticContact CE2-CE1 3.38Å; F315-F415 HydrophobicContact CE2-CE1 3.38Å; F315-F415 HydrophobicContact CE2-CZ 4.01Å; F315-F415 AromaticContact CZ-CD1 3.37Å; F315-F415 HydrophobicContact CZ-CD1 3.37Å; F315-F415 AromaticContact CZ-CE1 3.53Å; F315-F415 HydrophobicContact CZ-CE1 3.53Å; F315-F415 HydrophobicContact CZ-CG 4.19Å; F315-F415 HydrophobicContact CZ-CZ 4.44Å; S411-F415 PolarHBondContact O-N 3.39Å; S411-F415 VanDerWaalsContact O-N 3.07Å; I412-F415 CarbonylContact O-C 3.6Å; I412-F415 WeakPolarHBondContact O-CB 3.29Å; I412-F415 PolarHBondContact O-N 2.87Å; I412-F415 VanDerWaalsContact O-N 3.12Å; S413-F415 VanDerWaalsContact C-N 3.34Å; F415-C417 VanDerWaalsContact C-N 3.29Å; F415-C417 PolarHBondContact O-N 3.15Å; F415-F418 WeakPolarHBondContact O-CB 3.44Å; F415-F418 PolarHBondContact O-N 3.38Å; F415-L419 HydrophobicContact CE1-CB 4.35Å; F415-L419 HydrophobicContact CE1-CD2 4.23Å; F415-L419 WeakPolarHBondContact O-CB 3.48Å; F415-L419 PolarHBondContact O-N 2.93Å
416	N	68.4	Low	69.1	Low	2 Å²	2	45.3 Å²	45.3	1%	0.011	21%	0.212	C	C	.	.	H	α-helix	trans	-62.8	-36.9	176	-83.3	-14.3	0	0	0	112.2	I290 T294 I412 S413 I414 S420	I290-N416 WeakPolarHBondContact CG2-ND2 3.4Å; I290-N416 PolarHBondContact O-ND2 2.82Å; T294-N416 WeakPolarHBondContact CB-OD1 3.4Å; T294-N416 VanDerWaalsContact OG1-CG 3.25Å; T294-N416 PolarHBondContact OG1-ND2 2.8Å; T294-N416 VanDerWaalsContact OG1-ND2 3.07Å; T294-N416 PolarHBondContact OG1-OD1 3.23Å; I412-N416 PolarHBondContact O-N 3.42Å; S413-N416 PolarHBondContact O-N 3.46Å; I414-N416 PolarHBondContact O-N 3.25Å; N416-S420 VanDerWaalsContact O-CB 3.23Å; N416-S420 WeakPolarHBondContact O-CB 3.3Å; N416-S420 PolarHBondContact O-N 3.43Å; N416-S420 PolarHBondContact O-OG 3.1Å
417	C	71	Confident	68.8	Low	27 Å²	27	45.8 Å²	45.8	18%	0.182	22%	0.215	C	C	.	.	H	α-helix	trans	-61.9	-47.7	172.9	-175.3	0	0	0	0	111	S413 I414 F415 S420 F421 F541 I548	S413-C417 WeakPolarHBondContact O-CB 3.37Å; S413-C417 PolarHBondContact O-N 3.44Å; I414-C417 VanDerWaalsContact O-CB 3.31Å; I414-C417 WeakPolarHBondContact O-CB 3.13Å; I414-C417 PolarHBondContact O-N 3.45Å; F415-C417 VanDerWaalsContact C-N 3.29Å; F415-C417 PolarHBondContact O-N 3.15Å; C417-S420 PolarHBondContact O-N 3.35Å; C417-F421 WeakPolarHBondContact O-CB 3.34Å; C417-F421 PolarHBondContact O-N 3.48Å; C417-F541 WeakPolarHBondContact SG-CE2 3.39Å; C417-I548 HydrophobicContact CB-CD1 4.39Å
418	F	71.2	Confident	68.2	Low	128 Å²	128	44.8 Å²	44.8	56%	0.561	21%	0.213	S	C	*	.	H	α-helix	trans	-62.1	-45	176.9	-178.2	-98.8	0	0	0	112.5	I414 F415 F421 K422	I414-F418 PolarHBondContact O-N 2.96Å; F415-F418 WeakPolarHBondContact O-CB 3.44Å; F415-F418 PolarHBondContact O-N 3.38Å; F418-F421 PolarHBondContact O-N 3.48Å; F418-K422 PolarHBondContact O-N 3.24Å
419	L	67.2	Low	67.9	Low	13 Å²	13	50.9 Å²	50.9	7%	0.068	24%	0.239	C	C	.	.	H	α-helix	trans	-63.9	-44	178.4	-170.1	67.6	0	0	0	111.2	I297 F415 F421 K422 L423	I297-L419 HydrophobicContact CB-CD2 3.86Å; I297-L419 HydrophobicContact CD1-CD2 4.45Å; I297-L419 HydrophobicContact CG2-CB 4.47Å; I297-L419 HydrophobicContact CG2-CD2 3.36Å; I297-L419 HydrophobicContact CG2-CG 3.56Å; F415-L419 HydrophobicContact CE1-CB 4.35Å; F415-L419 HydrophobicContact CE1-CD2 4.23Å; F415-L419 WeakPolarHBondContact O-CB 3.48Å; F415-L419 PolarHBondContact O-N 2.93Å; L419-F421 VanDerWaalsContact C-N 3.34Å; L419-F421 PolarHBondContact O-N 3.48Å; L419-K422 PolarHBondContact O-N 3.28Å; L419-L423 WeakPolarHBondContact O-CB 3.46Å; L419-L423 PolarHBondContact O-N 2.88Å
420	S	67.5	Low	67.4	Low	2 Å²	2	55.3 Å²	55.3	1%	0.014	26%	0.26	C	S	.	.	H	α-helix	trans	-62.6	-39.9	175.7	-60.3	0	0	0	0	111.9	N416 C417 L423 R424	N416-S420 VanDerWaalsContact O-CB 3.23Å; N416-S420 WeakPolarHBondContact O-CB 3.3Å; N416-S420 PolarHBondContact O-N 3.43Å; N416-S420 PolarHBondContact O-OG 3.1Å; C417-S420 PolarHBondContact O-N 3.35Å; S420-L423 PolarHBondContact O-N 3.39Å; S420-R424 WeakPolarHBondContact O-CB 3.46Å; S420-R424 PolarHBondContact O-N 2.9Å
421	F	68.4	Low	66.8	Low	94 Å²	94	55.5 Å²	55.5	41%	0.412	26%	0.262	S	S	.	.	H	α-helix	trans	-64.9	-45.3	175.9	-177.8	-100	0	0	0	112	C417 F418 L419 L423 R424 N425	C417-F421 WeakPolarHBondContact O-CB 3.34Å; C417-F421 PolarHBondContact O-N 3.48Å; F418-F421 PolarHBondContact O-N 3.48Å; L419-F421 VanDerWaalsContact C-N 3.34Å; L419-F421 PolarHBondContact O-N 3.48Å; F421-L423 VanDerWaalsContact C-N 3.3Å; F421-L423 PolarHBondContact O-N 2.94Å; F421-R424 PolarHBondContact O-N 3.3Å; F421-N425 WeakPolarHBondContact CE1-ND2 3.1Å; F421-N425 WeakPolarHBondContact CZ-ND2 2.87Å; F421-N425 PolarHBondContact O-N 3.41Å
422	K	68.1	Low	66.1	Low	93 Å²	93	58.2 Å²	58.2	40%	0.404	27%	0.273	S	S	.	.	H	α-helix	trans	-62	-40	175.8	-163.7	-177.4	177.7	-178.2	0	111.2	M303 F418 L419 N425 H426	M303-K422 HydrophobicContact CE-CB 4.14Å; M303-K422 HydrophobicContact CE-CD 3.77Å; M303-K422 HydrophobicContact CE-CG 3.66Å; M303-K422 HydrophobicContact SD-CD 4.05Å; F418-K422 PolarHBondContact O-N 3.24Å; L419-K422 PolarHBondContact O-N 3.28Å; K422-N425 PolarHBondContact O-N 3.13Å; K422-H426 PolarHBondContact O-N 3.24Å
423	L	64.6	Low	65.2	Low	10 Å²	10	65.2 Å²	65.2	5%	0.052	30%	0.303	C	S	.	.	H	α-helix	trans	-67.1	-42.9	177.3	-159.9	72.3	0	0	0	112	I297 I300 M303 L419 S420 F421 N425 H426 S427 I537	I297-L423 HydrophobicContact CG2-CD2 4.03Å; I300-L423 HydrophobicContact CG2-CD2 4.28Å; M303-L423 HydrophobicContact CE-CD1 4.21Å; L419-L423 WeakPolarHBondContact O-CB 3.46Å; L419-L423 PolarHBondContact O-N 2.88Å; S420-L423 PolarHBondContact O-N 3.39Å; F421-L423 VanDerWaalsContact C-N 3.3Å; F421-L423 PolarHBondContact O-N 2.94Å; L423-N425 VanDerWaalsContact C-N 3.33Å; L423-N425 PolarHBondContact O-N 3.02Å; L423-H426 CarbonylContact O-C 3.54Å; L423-H426 WeakPolarHBondContact O-CB 3.44Å; L423-H426 PolarHBondContact O-N 2.8Å; L423-H426 VanDerWaalsContact O-N 3.13Å; L423-S427 PolarHBondContact O-N 2.95Å; L423-S427 PolarHBondContact O-OG 3.15Å; L423-I537 HydrophobicContact CB-CD1 4.49Å; L423-I537 HydrophobicContact CD2-CD1 3.34Å; L423-I537 HydrophobicContact CD2-CG1 3.75Å; L423-I537 HydrophobicContact CG-CD1 3.88Å
424	R	65.8	Low	64.6	Low	93 Å²	93	68.3 Å²	68.3	35%	0.351	33%	0.325	S	S	.	.	H	α-helix	trans	-57.5	-46.3	173.4	173.6	-175.2	158.5	-154.5	-6.8	111.3	S420 F421 H426 S427 M428 Y538	S420-R424 WeakPolarHBondContact O-CB 3.46Å; S420-R424 PolarHBondContact O-N 2.9Å; F421-R424 PolarHBondContact O-N 3.3Å; R424-H426 VanDerWaalsContact C-N 3.26Å; R424-H426 PolarHBondContact O-N 3.32Å; R424-S427 PolarHBondContact O-N 3.41Å; R424-S427 PolarHBondContact O-OG 3.23Å; R424-M428 HydrophobicContact CG-CG 4.31Å; R424-M428 VanDerWaalsContact O-CB 3.31Å; R424-M428 WeakPolarHBondContact O-CB 3.4Å; R424-M428 WeakPolarHBondContact O-CG 3.38Å; R424-M428 PolarHBondContact O-N 3.44Å; R424-Y538 PolarHBondContact NE-OH 3.18Å
425	N	65.9	Low	63.7	Low	63 Å²	63	69.4 Å²	69.4	34%	0.337	33%	0.331	S	S	.	.	H	α-helix	trans	-63.3	-36.6	177.8	-71.6	-14.8	0	0	0	111.4	F421 K422 L423 K429	F421-N425 WeakPolarHBondContact CE1-ND2 3.1Å; F421-N425 WeakPolarHBondContact CZ-ND2 2.87Å; F421-N425 PolarHBondContact O-N 3.41Å; K422-N425 PolarHBondContact O-N 3.13Å; L423-N425 VanDerWaalsContact C-N 3.33Å; L423-N425 PolarHBondContact O-N 3.02Å; N425-K429 WeakPolarHBondContact O-CB 3.32Å; N425-K429 WeakPolarHBondContact O-CG 3.27Å; N425-K429 PolarHBondContact O-N 3.11Å
426	H	62.7	Low	62.9	Low	86 Å²	86	69.8 Å²	69.8	40%	0.398	34%	0.339	S	S	.	.	H	α-helix	trans	-68.3	-47.8	175.6	-171	-93.8	0	0	0	112.5	K422 L423 R424 M428 K429 Q430	K422-H426 PolarHBondContact O-N 3.24Å; L423-H426 CarbonylContact O-C 3.54Å; L423-H426 WeakPolarHBondContact O-CB 3.44Å; L423-H426 PolarHBondContact O-N 2.8Å; L423-H426 VanDerWaalsContact O-N 3.13Å; R424-H426 VanDerWaalsContact C-N 3.26Å; R424-H426 PolarHBondContact O-N 3.32Å; H426-M428 PolarHBondContact O-N 3.47Å; H426-K429 PolarHBondContact O-N 3.41Å; H426-Q430 PolarHBondContact CE1-NE2 3.45Å; H426-Q430 PolarHBondContact O-N 2.94Å
427	S	62.6	Low	62	Low	9 Å²	9	72.5 Å²	72.5	6%	0.063	36%	0.357	C	S	.	.	H	α-helix	trans	-63.8	-41.1	178.9	65.9	0	0	0	0	111.6	L423 R424 Q430 I431	L423-S427 PolarHBondContact O-N 2.95Å; L423-S427 PolarHBondContact O-OG 3.15Å; R424-S427 PolarHBondContact O-N 3.41Å; R424-S427 PolarHBondContact O-OG 3.23Å; S427-Q430 PolarHBondContact O-N 3.09Å; S427-I431 WeakPolarHBondContact O-CG1 3.27Å; S427-I431 PolarHBondContact O-N 2.97Å
428	M	59	Low	61	Low	85 Å²	85	75.6 Å²	75.6	42%	0.419	37%	0.372	S	S	.	.	H	α-helix	trans	-63.3	-42.5	174	-71	-63.4	-67.1	0	0	111.7	R424 H426 Q430 I431 I432	R424-M428 HydrophobicContact CG-CG 4.31Å; R424-M428 VanDerWaalsContact O-CB 3.31Å; R424-M428 WeakPolarHBondContact O-CB 3.4Å; R424-M428 WeakPolarHBondContact O-CG 3.38Å; R424-M428 PolarHBondContact O-N 3.44Å; H426-M428 PolarHBondContact O-N 3.47Å; M428-Q430 VanDerWaalsContact C-N 3.33Å; M428-Q430 PolarHBondContact O-N 3.42Å; M428-I431 PolarHBondContact O-N 2.97Å; M428-I432 WeakPolarHBondContact O-CB 3.46Å; M428-I432 VanDerWaalsContact O-CG1 3.23Å; M428-I432 WeakPolarHBondContact O-CG1 3.37Å; M428-I432 PolarHBondContact O-N 3.32Å
429	K	63.5	Low	59.7	Low	142 Å²	142	74 Å²	74	62%	0.617	37%	0.369	S	S	*	.	H	α-helix	trans	-62.5	-38.1	174.4	-78.4	177	-178.7	-172	0	112.3	N425 H426 K433	N425-K429 WeakPolarHBondContact O-CB 3.32Å; N425-K429 WeakPolarHBondContact O-CG 3.27Å; N425-K429 PolarHBondContact O-N 3.11Å; H426-K429 PolarHBondContact O-N 3.41Å; K429-K433 WeakPolarHBondContact O-CB 3.34Å; K429-K433 WeakPolarHBondContact O-CG 3.15Å; K429-K433 PolarHBondContact O-N 3.41Å
430	Q	59	Low	58.6	Low	93 Å²	93	78.1 Å²	78.1	44%	0.435	39%	0.391	S	S	.	.	H	α-helix	trans	-66.6	-44	175.3	-76.1	-173.7	-28.5	0	0	112	H426 S427 M428 K433 S434	H426-Q430 PolarHBondContact CE1-NE2 3.45Å; H426-Q430 PolarHBondContact O-N 2.94Å; S427-Q430 PolarHBondContact O-N 3.09Å; M428-Q430 VanDerWaalsContact C-N 3.33Å; M428-Q430 PolarHBondContact O-N 3.42Å; Q430-K433 PolarHBondContact O-N 3.28Å; Q430-S434 PolarHBondContact O-N 2.93Å; Q430-S434 PolarHBondContact O-OG 3.22Å
431	I	58.2	Low	57.5	Low	48 Å²	48	82.7 Å²	82.7	25%	0.246	42%	0.419	C	S	.	.	H	α-helix	trans	-60	-49	175.4	-71.7	169.9	0	0	0	110.3	S427 M428 K433 S434 L435 I534	S427-I431 WeakPolarHBondContact O-CG1 3.27Å; S427-I431 PolarHBondContact O-N 2.97Å; M428-I431 PolarHBondContact O-N 2.97Å; I431-K433 PolarHBondContact O-N 2.91Å; I431-S434 WeakPolarHBondContact CA-OG 3.26Å; I431-S434 PolarHBondContact O-N 3.48Å; I431-S434 PolarHBondContact O-OG 3.5Å; I431-L435 HydrophobicContact CG2-CD1 3.67Å; I431-L435 PolarHBondContact O-N 3.44Å; I431-I534 HydrophobicContact CD1-CD1 3.3Å
432	I	57.9	Low	56.1	Low	95 Å²	95	82.6 Å²	82.6	49%	0.487	43%	0.426	S	S	.	.	H	α-helix	trans	-57.8	-47.7	176.7	-67.7	165	0	0	0	110.4	M428 S434 L435 T436	M428-I432 WeakPolarHBondContact O-CB 3.46Å; M428-I432 VanDerWaalsContact O-CG1 3.23Å; M428-I432 WeakPolarHBondContact O-CG1 3.37Å; M428-I432 PolarHBondContact O-N 3.32Å; I432-S434 VanDerWaalsContact C-N 3.35Å; I432-S434 PolarHBondContact O-N 3.2Å; I432-L435 WeakPolarHBondContact O-CB 3.05Å; I432-L435 PolarHBondContact O-N 2.88Å; I432-T436 PolarHBondContact O-N 2.97Å; I432-T436 PolarHBondContact O-OG1 3.29Å
433	K	53.8	Low	54.5	Low	149 Å²	149	85.1 Å²	85.1	65%	0.648	44%	0.439	S	S	*	.	H	α-helix	trans	-59.6	-40.8	177.2	-79.2	-177.1	177.2	-169.4	0	113.1	K429 Q430 I431 T436 C437	K429-K433 WeakPolarHBondContact O-CB 3.34Å; K429-K433 WeakPolarHBondContact O-CG 3.15Å; K429-K433 PolarHBondContact O-N 3.41Å; Q430-K433 PolarHBondContact O-N 3.28Å; I431-K433 PolarHBondContact O-N 2.91Å; K433-T436 PolarHBondContact O-N 3.33Å; K433-C437 WeakPolarHBondContact O-CB 3.36Å; K433-C437 PolarHBondContact O-N 3.4Å; K433-C437 PolarHBondContact O-SG 3.14Å
434	S	57.4	Low	53.4	Low	65 Å²	65	90.9 Å²	90.9	46%	0.455	47%	0.47	S	S	.	.	H	α-helix	trans	-66	-38.7	176.1	60.1	0	0	0	0	112.5	Q430 I431 I432 N438	Q430-S434 PolarHBondContact O-N 2.93Å; Q430-S434 PolarHBondContact O-OG 3.22Å; I431-S434 WeakPolarHBondContact CA-OG 3.26Å; I431-S434 PolarHBondContact O-N 3.48Å; I431-S434 PolarHBondContact O-OG 3.5Å; I432-S434 VanDerWaalsContact C-N 3.35Å; I432-S434 PolarHBondContact O-N 3.2Å; S434-N438 PolarHBondContact O-N 3.39Å; S434-N438 VanDerWaalsContact O-N 3.09Å
435	L	54.5	Low	52.2	Low	98 Å²	98	90.8 Å²	90.8	51%	0.513	48%	0.483	S	S	.	.	H	α-helix	trans	-66.1	-43.6	173.8	-87	145	0	0	0	111.8	I431 I432 N438 N439	I431-L435 HydrophobicContact CG2-CD1 3.67Å; I431-L435 PolarHBondContact O-N 3.44Å; I432-L435 WeakPolarHBondContact O-CB 3.05Å; I432-L435 PolarHBondContact O-N 2.88Å; L435-N438 PolarHBondContact O-N 2.77Å; L435-N439 PolarHBondContact O-N 2.9Å
436	T	53.9	Low	50.9	Low	71 Å²	71	94 Å²	94	44%	0.436	50%	0.501	S	S	.	.	H	α-helix	trans	-67.2	-37	177.9	-41.4	0	0	0	0	112	I432 K433 N439 N440	I432-T436 PolarHBondContact O-N 2.97Å; I432-T436 PolarHBondContact O-OG1 3.29Å; K433-T436 PolarHBondContact O-N 3.33Å; T436-N439 PolarHBondContact O-N 3.35Å; T436-N440 PolarHBondContact O-N 3.1Å
437	C	50.1	Low	49.6	Very low	58 Å²	58	96.2 Å²	96.2	39%	0.392	52%	0.516	S	S	.	.	H	α-helix	trans	-63	-44.5	173.6	-73	0	0	0	0	111.4	K433 N439 N440 T441	K433-C437 WeakPolarHBondContact O-CB 3.36Å; K433-C437 PolarHBondContact O-N 3.4Å; K433-C437 PolarHBondContact O-SG 3.14Å; C437-N439 VanDerWaalsContact C-N 3.33Å; C437-N439 PolarHBondContact O-N 2.87Å; C437-N440 PolarHBondContact O-N 3.41Å; C437-T441 PolarHBondContact O-N 3.37Å; C437-T441 PolarHBondContact O-OG1 3.28Å
438	N	49.9	Very low	48.4	Very low	93 Å²	93	103.7 Å²	103.7	50%	0.497	56%	0.555	S	S	.	*	H	α-helix	trans	-59.6	-42.3	176.2	-90.9	20.6	0	0	0	112.3	S434 L435 N440 T441 T442	S434-N438 PolarHBondContact O-N 3.39Å; S434-N438 VanDerWaalsContact O-N 3.09Å; L435-N438 PolarHBondContact O-N 2.77Å; N438-N440 VanDerWaalsContact C-N 3.34Å; N438-N440 PolarHBondContact O-N 3.03Å; N438-T441 WeakPolarHBondContact CA-OG1 3.45Å; N438-T441 PolarHBondContact O-N 3.34Å; N438-T441 PolarHBondContact O-OG1 3.32Å; N438-T442 PolarHBondContact O-N 3.03Å; N438-T442 VanDerWaalsContact O-N 3.11Å; N438-T442 PolarHBondContact O-OG1 2.88Å
439	N	44.3	Very low	47.2	Very low	94 Å²	94	105.3 Å²	105.3	50%	0.503	58%	0.575	S	S	.	*	H	α-helix	trans	-67.4	-32.3	177.9	-74.9	4.3	0	0	0	113.2	L435 T436 C437 T442 H443	L435-N439 PolarHBondContact O-N 2.9Å; T436-N439 PolarHBondContact O-N 3.35Å; C437-N439 VanDerWaalsContact C-N 3.33Å; C437-N439 PolarHBondContact O-N 2.87Å; N439-T442 WeakPolarHBondContact CA-OG1 3.44Å; N439-T442 PolarHBondContact O-OG1 3.2Å; N439-T442 VanDerWaalsContact O-OG1 3.04Å; N439-H443 WeakPolarHBondContact O-CB 3.39Å; N439-H443 PolarHBondContact O-N 3.3Å
440	N	43.8	Very low	45.7	Very low	99 Å²	99	103.7 Å²	103.7	53%	0.529	58%	0.581	S	S	.	*	H	α-helix	trans	-75.5	-30.5	176.3	-74.8	-6.1	0	0	0	112.5	T436 C437 N438 N444	T436-N440 PolarHBondContact O-N 3.1Å; C437-N440 PolarHBondContact O-N 3.41Å; N438-N440 VanDerWaalsContact C-N 3.34Å; N438-N440 PolarHBondContact O-N 3.03Å; N440-N444 PolarHBondContact O-N 2.87Å
441	T	43.5	Very low	44.2	Very low	98 Å²	98	106 Å²	106	60%	0.601	60%	0.596	S	S	*	*	H	α-helix	trans	-68.5	-37.1	170.2	26.8	0	0	0	0	112.5	C437 N438	C437-T441 PolarHBondContact O-N 3.37Å; C437-T441 PolarHBondContact O-OG1 3.28Å; N438-T441 WeakPolarHBondContact CA-OG1 3.45Å; N438-T441 PolarHBondContact O-N 3.34Å; N438-T441 PolarHBondContact O-OG1 3.32Å
442	T	39.3	Very low	42.9	Very low	92 Å²	92	110 Å²	110	56%	0.564	62%	0.618	S	S	*	*	H	α-helix	trans	-74.4	-36.2	176.7	45.7	0	0	0	0	112.6	N438 N439 S445	N438-T442 PolarHBondContact O-N 3.03Å; N438-T442 VanDerWaalsContact O-N 3.11Å; N438-T442 PolarHBondContact O-OG1 2.88Å; N439-T442 WeakPolarHBondContact CA-OG1 3.44Å; N439-T442 PolarHBondContact O-OG1 3.2Å; N439-T442 VanDerWaalsContact O-OG1 3.04Å; T442-S445 PolarHBondContact O-N 2.89Å
443	H	35.7	Very low	41.5	Very low	147 Å²	147	110.8 Å²	110.8	68%	0.681	63%	0.627	S	S	*	*	H	α-helix	trans	-71.6	-32.1	177.9	-103.2	-63	0	0	0	114.5	N439 S445	N439-H443 WeakPolarHBondContact O-CB 3.39Å; N439-H443 PolarHBondContact O-N 3.3Å; H443-S445 VanDerWaalsContact C-N 3.29Å; H443-S445 PolarHBondContact O-N 3.36Å
444	N	40	Very low	40.2	Very low	130 Å²	130	110.5 Å²	110.5	70%	0.695	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-7.9	178.3	-90.5	-13.3	0	0	0	114.2	N440 N446	N440-N444 PolarHBondContact O-N 2.87Å; N444-N446 VanDerWaalsContact C-N 3.32Å
445	S	40.6	Very low	38.7	Very low	91 Å²	91	114.2 Å²	114.2	64%	0.636	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	-19.6	174	171	0	0	0	0	113	T442 H443	T442-S445 PolarHBondContact O-N 2.89Å; H443-S445 VanDerWaalsContact C-N 3.29Å; H443-S445 PolarHBondContact O-N 3.36Å
446	N	38.4	Very low	37.5	Very low	132 Å²	132	117.8 Å²	117.8	71%	0.706	66%	0.662	S	S	*	*	S	Bend	trans	-100.7	-1.8	-171.5	-82.3	4.6	0	0	0	115.9	N444	N444-N446 VanDerWaalsContact C-N 3.32Å
447	N	36.9	Very low	36.2	Very low	132 Å²	132	121 Å²	121	71%	0.706	68%	0.676	S	S	*	*	S	Bend	trans	-117.2	77.5	173.4	-75.4	-6.5	0	0	0	109.5
448	N	35.9	Very low	35.2	Very low	166 Å²	166	121.5 Å²	121.5	89%	0.888	69%	0.691	S	S	*	*			trans	168.8	73.3	147	-83.4	-9.3	0	0	0	109.4
449	S	35.1	Very low	34.3	Very low	119 Å²	119	124 Å²	124	83%	0.832	70%	0.704	S	S	*	*			trans	-137.5	62.5	157.8	169.6	0	0	0	0	107.2
450	S	30.8	Very low	33.7	Very low	107 Å²	107	125.3 Å²	125.3	75%	0.748	71%	0.711	S	S	*	*			trans	-132.5	116.2	163.6	-60.2	0	0	0	0	106.8
451	N	28.7	Very low	32.9	Very low	142 Å²	142	128 Å²	128	76%	0.759	72%	0.722	S	S	*	*			trans	82.2	120.2	157.4	-64.3	2.8	0	0	0	119.2
452	D	29.6	Very low	32.4	Very low	131 Å²	131	131.2 Å²	131.2	70%	0.701	73%	0.728	S	S	*	*			trans	92	95	134.2	-63.2	-24.6	0	0	0	119.7
453	T	28.5	Very low	32.1	Very low	112 Å²	112	132.4 Å²	132.4	69%	0.687	73%	0.73	S	S	*	*				53.3	118.3	117.8	54.2	0	0	0	0	119.3
454	N	27.8	Very low	31.9	Very low	144 Å²	144	130.1 Å²	130.1	77%	0.77	72%	0.723	S	S	*	*			trans	76	129.2	141.7	-63.7	-17.6	0	0	0	119.8
455	N	26.3	Very low	31.6	Very low	142 Å²	142	129.3 Å²	129.3	76%	0.759	72%	0.719	S	S	*	*			trans	85.4	109.7	150.9	-68.9	-14.1	0	0	0	119.7
456	H	27.7	Very low	31.2	Very low	174 Å²	174	129.9 Å²	129.9	81%	0.806	71%	0.714	S	S	*	*			trans	43.8	88.5	138.5	-71.5	-53.3	0	0	0	117.9
457	N	27.5	Very low	30.8	Very low	138 Å²	138	126 Å²	126	74%	0.738	70%	0.697	S	S	*	*			trans	-172	72.7	133.7	-93.7	-20.9	0	0	0	110.6	N459 L460	N457-N459 PolarHBondContact O-N 2.85Å; N457-L460 PolarHBondContact O-N 3.47Å
458	G	29.4	Very low	30.5	Very low	68 Å²	68	126.3 Å²	126.3	70%	0.701	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.3	-6	-179.9	0	0	0	0	0	115.8
459	N	31.6	Very low	30.5	Very low	145 Å²	145	125.6 Å²	125.6	78%	0.775	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	-17.1	179.2	-74.6	-7.3	0	0	0	114.1	N457	N457-N459 PolarHBondContact O-N 2.85Å
460	L	29.7	Very low	30.2	Very low	123 Å²	123	126 Å²	126	64%	0.644	68%	0.675	S	S	*	*	H	α-helix	trans	-77.8	-36.5	179	-148.3	78.4	0	0	0	111.6	N457 K462 L463 D464	N457-L460 PolarHBondContact O-N 3.47Å; L460-K462 VanDerWaalsContact C-N 3.31Å; L460-K462 PolarHBondContact O-N 2.87Å; L460-L463 PolarHBondContact O-N 3.45Å; L460-D464 PolarHBondContact O-N 3.47Å
461	M	29	Very low	30	Very low	156 Å²	156	131.3 Å²	131.3	77%	0.768	68%	0.679	S	S	*	*	H	α-helix	trans	-66.9	-27	179.5	-106.4	-172.4	168.7	0	0	114
462	K	32.6	Very low	29.9	Very low	165 Å²	165	129.2 Å²	129.2	72%	0.717	67%	0.674	S	S	*	*	H	α-helix	trans	-74.5	-27.4	176.2	-105.1	-178.5	177.3	179.2	0	112.8	L460 L466	L460-K462 VanDerWaalsContact C-N 3.31Å; L460-K462 PolarHBondContact O-N 2.87Å; K462-L466 PolarHBondContact O-N 3.25Å
463	L	32.5	Very low	29.7	Very low	117 Å²	117	126.9 Å²	126.9	61%	0.613	67%	0.668	S	S	*	*	H	α-helix	trans	-76.7	-35.9	179.7	-158.6	73.1	0	0	0	111.7	L460 L466 S467	L460-L463 PolarHBondContact O-N 3.45Å; L463-L466 PolarHBondContact O-N 3.45Å; L463-S467 WeakPolarHBondContact O-CB 3.21Å; L463-S467 PolarHBondContact O-N 2.62Å
464	D	30.3	Very low	29.6	Very low	99 Å²	99	126.4 Å²	126.4	53%	0.529	67%	0.667	S	S	.	*	H	α-helix	trans	-68	-37.6	178.1	-91	-13.5	0	0	0	112.7	L460 S467 K468	L460-D464 PolarHBondContact O-N 3.47Å; D464-S467 PolarHBondContact O-N 2.92Å; D464-S467 PolarHBondContact O-OG 2.91Å; D464-K468 WeakPolarHBondContact O-CG 3.17Å; D464-K468 PolarHBondContact O-N 3.38Å; D464-K468 VanDerWaalsContact O-N 3.09Å
465	N	33.8	Very low	29.3	Very low	113 Å²	113	128.4 Å²	128.4	60%	0.604	67%	0.672	S	S	*	*	H	α-helix	trans	-69	-39.2	174.4	-77.6	-9.9	0	0	0	111.9	S467 K468 E469	N465-S467 VanDerWaalsContact C-N 3.35Å; N465-S467 PolarHBondContact O-N 2.83Å; N465-K468 PolarHBondContact O-N 3.01Å; N465-E469 PolarHBondContact O-N 3.36Å
466	L	33.3	Very low	29.4	Very low	103 Å²	103	129.1 Å²	129.1	54%	0.539	67%	0.674	S	S	.	*	H	α-helix	trans	-67.3	-35.9	175.2	-148	93.8	0	0	0	111.9	K462 L463 E469 L470	K462-L466 PolarHBondContact O-N 3.25Å; L463-L466 PolarHBondContact O-N 3.45Å; L466-E469 PolarHBondContact O-N 2.04Å; L466-L470 WeakPolarHBondContact O-CB 3.39Å; L466-L470 PolarHBondContact O-N 2.76Å
467	S	29.5	Very low	29.3	Very low	50 Å²	50	126.7 Å²	126.7	35%	0.35	67%	0.667	S	S	.	*	H	α-helix	trans	-68.7	-32.7	177.6	82.4	0	0	0	0	112.9	L463 D464 N465 R471	L463-S467 WeakPolarHBondContact O-CB 3.21Å; L463-S467 PolarHBondContact O-N 2.62Å; D464-S467 PolarHBondContact O-N 2.92Å; D464-S467 PolarHBondContact O-OG 2.91Å; N465-S467 VanDerWaalsContact C-N 3.35Å; N465-S467 PolarHBondContact O-N 2.83Å; S467-R471 PolarHBondContact O-N 3.16Å
468	K	31.2	Very low	29.1	Very low	138 Å²	138	128.5 Å²	128.5	60%	0.6	67%	0.669	S	S	*	*	H	α-helix	trans	-74.1	-36.3	173.9	-77	178.4	-178.6	173.5	0	111.8	D464 N465 L470 R471	D464-K468 WeakPolarHBondContact O-CG 3.17Å; D464-K468 PolarHBondContact O-N 3.38Å; D464-K468 VanDerWaalsContact O-N 3.09Å; N465-K468 PolarHBondContact O-N 3.01Å; K468-L470 VanDerWaalsContact C-N 3.34Å; K468-R471 PolarHBondContact O-N 3.33Å
469	E	34.9	Very low	28.9	Very low	152 Å²	152	132.6 Å²	132.6	71%	0.71	67%	0.674	S	S	*	*	H	α-helix	trans	-68.7	-33.8	175.1	-142.9	171.2	-171.4	0	0	111.8	N465 L466 R471	N465-E469 PolarHBondContact O-N 3.36Å; L466-E469 PolarHBondContact O-N 2.04Å; E469-R471 PolarHBondContact O-N 3Å
470	L	30.3	Very low	28.6	Very low	126 Å²	126	131.3 Å²	131.3	66%	0.66	68%	0.677	S	S	*	*	H	α-helix	trans	-71.5	-25.2	176.8	-122.6	79.4	0	0	0	114.4	L466 K468 C472 S473	L466-L470 WeakPolarHBondContact O-CB 3.39Å; L466-L470 PolarHBondContact O-N 2.76Å; K468-L470 VanDerWaalsContact C-N 3.34Å; L470-C472 PolarHBondContact O-N 3.41Å; L470-S473 PolarHBondContact O-N 3.49Å
471	R	25	Very low	28.6	Very low	219 Å²	219	131.2 Å²	131.2	83%	0.826	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	-14.3	-178.3	-82.5	-171.1	-165.4	-168.1	5.1	114.4	S467 K468 E469	S467-R471 PolarHBondContact O-N 3.16Å; K468-R471 PolarHBondContact O-N 3.33Å; E469-R471 PolarHBondContact O-N 3Å
472	C	26.7	Very low	28.5	Very low	98 Å²	98	130.9 Å²	130.9	66%	0.662	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.4	8	-178.6	-75.1	0	0	0	0	114.5	L470	L470-C472 PolarHBondContact O-N 3.41Å
473	S	25.4	Very low	28.3	Very low	82 Å²	82	130.6 Å²	130.6	57%	0.573	69%	0.686	S	S	*	*	S	Bend	trans	-98.1	135.5	169.5	-156.6	0	0	0	0	109.7	L470 Q475	L470-S473 PolarHBondContact O-N 3.49Å; S473-Q475 PolarHBondContact O-N 3.2Å
474	P	26.7	Very low	28	Very low	103 Å²	103	131.8 Å²	131.8	67%	0.669	70%	0.698	S	S	*	*			trans	-59	130.1	174.2	25.3	-31.1	0	0	0	108.8	I476	P474-I476 PolarHBondContact O-N 3.45Å
475	Q	22.4	Very low	27.7	Very low	185 Å²	185	135.8 Å²	135.8	86%	0.864	71%	0.714	S	S	*	*			trans	-48.3	98	170.9	-82.5	176.7	-46.2	0	0	109.8	S473	S473-Q475 PolarHBondContact O-N 3.2Å
476	I	27.9	Very low	27.4	Very low	157 Å²	157	138.2 Å²	138.2	81%	0.805	73%	0.726	S	S	*	*			trans	-99.7	94.4	155.6	-63.1	175.8	0	0	0	103.2	P474	P474-I476 PolarHBondContact O-N 3.45Å
477	D	24.8	Very low	26.9	Very low	124 Å²	124	139.2 Å²	139.2	66%	0.663	74%	0.74	S	S	*	*			trans	-57.3	135.1	174.2	-102.6	-40.6	0	0	0	110.6
478	K	24.8	Very low	26.6	Very low	176 Å²	176	143.7 Å²	143.7	77%	0.765	76%	0.76	S	S	*	*	S	Bend	trans	62.9	94.9	159.4	-61.1	178.4	-179.7	177.9	0	116.9
479	D	25	Very low	26.2	Very low	154 Å²	154	144.4 Å²	144.4	82%	0.824	77%	0.77	S	S	*	*			trans	179.6	61.1	131.3	-85.7	-16.4	0	0	0	109.8	T481	D479-T481 PolarHBondContact O-N 3.48Å
480	S	25.9	Very low	25.7	Very low	118 Å²	118	143.7 Å²	143.7	83%	0.825	78%	0.777	S	S	*	*			trans	-96.8	65.2	174.3	63.1	0	0	0	0	110.7
481	T	29.1	Very low	25.2	Very low	121 Å²	121	143.4 Å²	143.4	74%	0.742	79%	0.785	S	S	*	*	S	Bend	trans	-138.5	1.3	170.2	40.6	0	0	0	0	115.5	D479	D479-T481 PolarHBondContact O-N 3.48Å
482	I	27.2	Very low	25.1	Very low	148 Å²	148	138.8 Å²	138.8	76%	0.759	78%	0.781	S	S	*	*	S	Bend	trans	-112.2	-12.5	-173.5	-59.6	179.4	0	0	0	114.9
483	I	27	Very low	24.8	Very low	160 Å²	160	139.7 Å²	139.7	82%	0.821	78%	0.784	S	S	*	*	G	3₁₀ helix	trans	-90.9	-6.9	-169.9	-59.1	-178.8	0	0	0	114.6	E485	I483-E485 PolarHBondContact O-N 3.15Å
484	T	26.2	Very low	24.5	Very low	142 Å²	142	141.7 Å²	141.7	87%	0.871	79%	0.793	S	S	*	*	G	3₁₀ helix	trans	-84.3	-3.8	-179.1	6.2	0	0	0	0	115.8
485	E	25.6	Very low	24.2	Very low	182 Å²	182	143.6 Å²	143.6	85%	0.85	80%	0.803	S	S	*	*	G	3₁₀ helix	trans	-108.7	0.2	-172.3	-148.2	171.7	-176.8	0	0	116.2	I483	I483-E485 PolarHBondContact O-N 3.15Å
486	L	25.9	Very low	24.1	Very low	164 Å²	164	141 Å²	141	86%	0.859	80%	0.8	S	S	*	*	S	Bend	trans	-107.3	5.9	-176.1	-140.9	82.1	0	0	0	116.6
487	C	24.1	Very low	23.9	Very low	124 Å²	124	140.1 Å²	140.1	84%	0.838	80%	0.802	S	S	*	*	S	Bend	trans	-104.7	11.5	-179.2	-80.7	0	0	0	0	115.7
488	N	22.4	Very low	23.7	Very low	144 Å²	144	140.1 Å²	140.1	77%	0.77	81%	0.812	S	S	*	*	S	Bend	trans	-114.2	111	166	-74.5	-16	0	0	0	108.5
489	N	23.2	Very low	23.8	Very low	153 Å²	153	135.8 Å²	135.8	82%	0.818	80%	0.803	S	S	*	*			trans	124.5	89.6	165	-62.3	-16.7	0	0	0	112.6
490	T	24.1	Very low	23.6	Very low	138 Å²	138	134.2 Å²	134.2	85%	0.847	80%	0.804	S	S	*	*				172.9	112.3	102.5	22.8	0	0	0	0	110.5
491	S	21	Very low	23.6	Very low	120 Å²	120	137.7 Å²	137.7	84%	0.839	80%	0.801	S	S	*	*			trans	-99.9	115	165.6	-50.8	0	0	0	0	107
492	T	22.1	Very low	23.3	Very low	121 Å²	121	140.6 Å²	140.6	74%	0.742	81%	0.811	S	S	*	*			trans	-164.7	108.7	158.5	28.8	0	0	0	0	112.1
493	T	20.4	Very low	23.2	Very low	118 Å²	118	138 Å²	138	72%	0.724	80%	0.802	S	S	*	*				47.5	117.9	127.2	50.4	0	0	0	0	122.6
494	T	19.7	Very low	23	Very low	123 Å²	123	140.4 Å²	140.4	76%	0.755	80%	0.802	S	S	*	*			trans	47.2	121.3	131.9	54.4	0	0	0	0	120.8
495	T	20.5	Very low	22.9	Very low	143 Å²	143	141.1 Å²	141.1	88%	0.877	80%	0.796	S	S	*	*				-167.7	143.4	105.7	19.5	0	0	0	0	111.7
496	T	19.8	Very low	22.9	Very low	131 Å²	131	136.2 Å²	136.2	80%	0.804	78%	0.781	S	S	*	*			trans	-78.9	132.6	173	41	0	0	0	0	111.7
497	T	22.8	Very low	22.8	Very low	139 Å²	139	135.3 Å²	135.3	85%	0.853	78%	0.777	S	S	*	*			trans	-140.7	113.8	152.2	42.7	0	0	0	0	109.8
498	S	21.6	Very low	22.8	Very low	123 Å²	123	136.1 Å²	136.1	86%	0.86	77%	0.772	S	S	*	*			trans	-72.6	122.4	166.8	47.3	0	0	0	0	110.4
499	S	25.6	Very low	22.8	Very low	85 Å²	85	134.8 Å²	134.8	59%	0.594	77%	0.774	S	S	*	*			trans	-144	111	157.5	61.2	0	0	0	0	109.2	Y501	S499-Y501 PolarHBondContact O-N 3.43Å
500	S	21.8	Very low	22.9	Very low	121 Å²	121	132.3 Å²	132.3	85%	0.846	76%	0.764	S	S	*	*			trans	-63.7	106.8	174.2	49.4	0	0	0	0	110.8
501	Y	25.3	Very low	22.8	Very low	191 Å²	191	134.1 Å²	134.1	75%	0.749	76%	0.763	S	S	*	*			trans	-122.4	117	161.3	-70.9	-78.7	0	0	0	107.9	S499 T503	S499-Y501 PolarHBondContact O-N 3.43Å; Y501-T503 PolarHBondContact O-N 3.29Å
502	L	22.2	Very low	22.7	Very low	183 Å²	183	137 Å²	137	96%	0.958	76%	0.763	S	S	*	*			trans	-58.3	99.1	169.6	-102	98.3	0	0	0	108.4
503	T	25	Very low	23	Very low	92 Å²	92	135.8 Å²	135.8	56%	0.564	76%	0.757	S	S	*	*			trans	-85.1	123.2	168.4	46.6	0	0	0	0	108.8	Y501 Q505	Y501-T503 PolarHBondContact O-N 3.29Å; T503-Q505 PolarHBondContact O-N 2.99Å
504	Y	24.9	Very low	23.1	Very low	211 Å²	211	141.8 Å²	141.8	83%	0.827	77%	0.766	S	S	*	*			trans	-54	105.5	161.3	-92.6	-93.8	0	0	0	108.2	C506	Y504-C506 VanDerWaalsContact C-N 3.31Å; Y504-C506 PolarHBondContact O-N 3.38Å
505	Q	23.5	Very low	23.3	Very low	157 Å²	157	147.2 Å²	147.2	73%	0.734	77%	0.773	S	S	*	*			trans	-74.5	90.5	176.1	-141.3	165.4	-7.6	0	0	106.5	T503 D507	T503-Q505 PolarHBondContact O-N 2.99Å; Q505-D507 PolarHBondContact O-N 3.19Å
506	C	25.6	Very low	23.5	Very low	79 Å²	79	148.9 Å²	148.9	53%	0.534	77%	0.771	S	S	.	*			trans	-58.6	118.5	149.1	-76.7	0	0	0	0	104.5	Y504 L508	Y504-C506 VanDerWaalsContact C-N 3.31Å; Y504-C506 PolarHBondContact O-N 3.38Å; C506-L508 PolarHBondContact O-N 3.1Å
507	D	22.8	Very low	23.8	Very low	145 Å²	145	152 Å²	152	78%	0.775	77%	0.77	S	S	*	*	S	Bend	trans	-58	78.2	177.1	-77.4	-34.8	0	0	0	110.4	Q505	Q505-D507 PolarHBondContact O-N 3.19Å
508	L	25.2	Very low	24.1	Very low	141 Å²	141	154.2 Å²	154.2	74%	0.738	77%	0.77	S	S	*	*			trans	-100.2	106.4	141.6	-119.9	85.9	0	0	0	104.4	C506 V510	C506-L508 PolarHBondContact O-N 3.1Å; L508-V510 PolarHBondContact O-N 3.24Å
509	S	22.3	Very low	24.5	Very low	117 Å²	117	153 Å²	153	82%	0.818	76%	0.762	S	S	*	*			trans	-62.6	84.7	171.2	51.2	0	0	0	0	109.3	Q511	S509-Q511 PolarHBondContact O-N 3.39Å
510	V	24.1	Very low	24.7	Very low	101 Å²	101	155.8 Å²	155.8	61%	0.612	77%	0.765	S	S	*	*			trans	-95.5	78.7	162.5	-172.8	0	0	0	0	106	L508 H512	L508-V510 PolarHBondContact O-N 3.24Å; V510-H512 PolarHBondContact O-N 3.3Å
511	Q	22.4	Very low	25.3	Very low	176 Å²	176	154.3 Å²	154.3	82%	0.822	75%	0.748	S	S	*	*			trans	-62.1	115.8	155.4	-84.8	179.9	-12.5	0	0	105.7	S509 P513	S509-Q511 PolarHBondContact O-N 3.39Å; Q511-P513 WeakPolarHBondContact O-CD 3.5Å
512	H	20.3	Very low	25.8	Very low	180 Å²	180	151.2 Å²	151.2	83%	0.833	74%	0.74	S	S	*	*			trans	-67.1	107.5	161.8	-81.4	-51.6	0	0	0	107.7	V510	V510-H512 PolarHBondContact O-N 3.3Å
513	P	27	Very low	26.6	Very low	95 Å²	95	145.6 Å²	145.6	62%	0.617	71%	0.713	S	S	*	*			trans	-87.5	126	175	2.1	21	0	0	0	107.3	Q511 R515	Q511-P513 WeakPolarHBondContact O-CD 3.5Å; P513-R515 PolarHBondContact O-N 3.22Å
514	R	23	Very low	27.1	Very low	244 Å²	244	146.6 Å²	146.6	92%	0.921	71%	0.711	S	S	*	*			trans	-50.8	137.4	160.4	-90.9	176.1	171.6	158.8	-3.4	109.2
515	R	23.5	Very low	28	Very low	238 Å²	238	141.5 Å²	141.5	90%	0.898	70%	0.698	S	S	*	*	S	Bend	trans	-23.4	144.4	170.6	-65.7	176.5	177.3	176.6	-2.2	115.9	P513	P513-R515 PolarHBondContact O-N 3.22Å
516	Q	25.6	Very low	29.1	Very low	178 Å²	178	140.9 Å²	140.9	83%	0.832	69%	0.693	S	S	*	*			trans	90.3	67.3	165.6	-63.8	-178.2	-41.2	0	0	117.4
517	Y	24.7	Very low	30	Very low	197 Å²	197	142.1 Å²	142.1	77%	0.773	69%	0.691	S	S	*	*			trans	-160.4	74	141.2	-87.7	-71.2	0	0	0	109.3	S519	Y517-S519 VanDerWaalsContact C-N 3.27Å; Y517-S519 PolarHBondContact O-N 2.85Å
518	Q	29	Very low	31.2	Very low	184 Å²	184	138.3 Å²	138.3	86%	0.86	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	8.1	-169.4	-117.5	175.9	-0.3	0	0	116.1
519	S	31.8	Very low	32.5	Very low	98 Å²	98	135.4 Å²	135.4	69%	0.685	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.8	-26.8	-178	-168.8	0	0	0	0	114.6	Y517	Y517-S519 VanDerWaalsContact C-N 3.27Å; Y517-S519 PolarHBondContact O-N 2.85Å
520	E	29.1	Very low	34	Very low	143 Å²	143	132.6 Å²	132.6	67%	0.668	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	-35.3	-175.1	-70.9	-174	160.1	0	0	112.9	H522 V523 H524	E520-H522 VanDerWaalsContact C-N 3.34Å; E520-H522 PolarHBondContact O-N 3.21Å; E520-V523 PolarHBondContact O-N 2.84Å; E520-V523 VanDerWaalsContact O-N 3.09Å; E520-H524 PolarHBondContact O-N 3.2Å
521	D	33.9	Very low	35.4	Very low	91 Å²	91	132 Å²	132	49%	0.487	63%	0.625	S	S	.	*	H	α-helix	trans	-62	-38.6	-179.5	-72.4	-19.9	0	0	0	112.6	V523 H524 D525	D521-V523 VanDerWaalsContact C-N 3.25Å; D521-V523 PolarHBondContact O-N 3.5Å; D521-H524 PolarHBondContact O-N 3.15Å; D521-D525 WeakPolarHBondContact O-CB 3.23Å; D521-D525 PolarHBondContact O-N 3.37Å
522	H	36.3	Very low	37.1	Very low	126 Å²	126	128 Å²	128	58%	0.583	61%	0.609	S	S	*	*	H	α-helix	trans	-65.7	-26.8	177.2	-99	-50.7	0	0	0	113.5	E520 K526	E520-H522 VanDerWaalsContact C-N 3.34Å; E520-H522 PolarHBondContact O-N 3.21Å; H522-K526 WeakPolarHBondContact O-CB 3.45Å; H522-K526 VanDerWaalsContact O-CG 3.27Å; H522-K526 WeakPolarHBondContact O-CG 3.14Å; H522-K526 PolarHBondContact O-N 2.89Å
523	V	39.2	Very low	38.9	Very low	64 Å²	64	121.2 Å²	121.2	39%	0.388	58%	0.577	S	S	.	*	H	α-helix	trans	-79.8	-43	175.7	-179.3	0	0	0	0	109.7	E520 D521 K526 Q527	E520-V523 PolarHBondContact O-N 2.84Å; E520-V523 VanDerWaalsContact O-N 3.09Å; D521-V523 VanDerWaalsContact C-N 3.25Å; D521-V523 PolarHBondContact O-N 3.5Å; V523-K526 PolarHBondContact O-N 3.07Å; V523-Q527 HydrophobicContact CG1-CG 4.35Å; V523-Q527 WeakPolarHBondContact O-CB 3.46Å; V523-Q527 VanDerWaalsContact O-CG 3.27Å; V523-Q527 WeakPolarHBondContact O-CG 3.04Å; V523-Q527 PolarHBondContact O-N 2.04Å
524	H	35.2	Very low	40.6	Very low	113 Å²	113	117.4 Å²	117.4	52%	0.523	55%	0.551	S	S	.	*	H	α-helix	trans	-63	-44.3	177.9	-117.6	-54.4	0	0	0	112	E520 D521 Q527 T528	E520-H524 PolarHBondContact O-N 3.2Å; D521-H524 PolarHBondContact O-N 3.15Å; H524-Q527 PolarHBondContact O-N 3.45Å; H524-T528 VanDerWaalsContact O-CG2 3.23Å; H524-T528 WeakPolarHBondContact O-CG2 3.44Å; H524-T528 PolarHBondContact O-N 3.35Å; H524-T528 PolarHBondContact O-OG1 3.24Å
525	D	43.8	Very low	42.5	Very low	105 Å²	105	108.5 Å²	108.5	56%	0.561	52%	0.519	S	S	*	.	H	α-helix	trans	-64.3	-40	176	-78.2	-15.7	0	0	0	112.3	D521 T528 L529	D521-D525 WeakPolarHBondContact O-CB 3.23Å; D521-D525 PolarHBondContact O-N 3.37Å; D525-T528 PolarHBondContact O-OG1 3.23Å; D525-L529 VanDerWaalsContact O-CB 3.25Å; D525-L529 WeakPolarHBondContact O-CB 3.4Å; D525-L529 PolarHBondContact O-N 3.38Å
526	K	46.9	Very low	44.4	Very low	143 Å²	143	98.6 Å²	98.6	62%	0.622	48%	0.483	S	S	*	.	H	α-helix	trans	-65.3	-41.6	173.7	-80	177.6	-178.9	174.7	0	111.5	H522 V523 Q530	H522-K526 WeakPolarHBondContact O-CB 3.45Å; H522-K526 VanDerWaalsContact O-CG 3.27Å; H522-K526 WeakPolarHBondContact O-CG 3.14Å; H522-K526 PolarHBondContact O-N 2.89Å; V523-K526 PolarHBondContact O-N 3.07Å; K526-Q530 WeakPolarHBondContact O-CB 3.3Å; K526-Q530 WeakPolarHBondContact O-CG 3.4Å; K526-Q530 PolarHBondContact O-N 2.89Å
527	Q	45.1	Very low	46.3	Very low	105 Å²	105	90.6 Å²	90.6	49%	0.491	45%	0.446	S	S	.	.	H	α-helix	trans	-67.3	-43.1	178.6	-75	179	3.3	0	0	112.1	V523 H524 Q530 L531	V523-Q527 HydrophobicContact CG1-CG 4.35Å; V523-Q527 WeakPolarHBondContact O-CB 3.46Å; V523-Q527 VanDerWaalsContact O-CG 3.27Å; V523-Q527 WeakPolarHBondContact O-CG 3.04Å; V523-Q527 PolarHBondContact O-N 2.04Å; H524-Q527 PolarHBondContact O-N 3.45Å; Q527-Q530 PolarHBondContact O-N 3.15Å; Q527-L531 WeakPolarHBondContact O-CB 3.03Å; Q527-L531 PolarHBondContact O-N 3.01Å
528	T	47.4	Very low	48.2	Very low	66 Å²	66	84.1 Å²	84.1	41%	0.405	42%	0.42	S	S	.	.	H	α-helix	trans	-65.2	-40.4	177	61.9	0	0	0	0	111.6	H524 D525 L531 N532	H524-T528 VanDerWaalsContact O-CG2 3.23Å; H524-T528 WeakPolarHBondContact O-CG2 3.44Å; H524-T528 PolarHBondContact O-N 3.35Å; H524-T528 PolarHBondContact O-OG1 3.24Å; D525-T528 PolarHBondContact O-OG1 3.23Å; T528-L531 PolarHBondContact O-N 2.87Å; T528-N532 WeakPolarHBondContact O-CB 3.29Å; T528-N532 PolarHBondContact O-N 2.89Å; T528-N532 PolarHBondContact O-ND2 3.05Å
529	L	52.3	Low	50	Low	79 Å²	79	77.1 Å²	77.1	41%	0.414	39%	0.387	S	S	.	.	H	α-helix	trans	-61.9	-44.8	174.1	-169.9	80.5	0	0	0	111.7	D525 N532 K533	D525-L529 VanDerWaalsContact O-CB 3.25Å; D525-L529 WeakPolarHBondContact O-CB 3.4Å; D525-L529 PolarHBondContact O-N 3.38Å; L529-N532 PolarHBondContact O-N 2.94Å; L529-K533 WeakPolarHBondContact O-CG 3.03Å; L529-K533 PolarHBondContact O-N 3.2Å
530	Q	53.7	Low	51.6	Low	58 Å²	58	73 Å²	73	27%	0.271	36%	0.358	S	S	.	.	H	α-helix	trans	-65.7	-40.3	177.5	-70.8	-70.2	-18.9	0	0	112.1	K526 Q527 N532 K533 I534	K526-Q530 WeakPolarHBondContact O-CB 3.3Å; K526-Q530 WeakPolarHBondContact O-CG 3.4Å; K526-Q530 PolarHBondContact O-N 2.89Å; Q527-Q530 PolarHBondContact O-N 3.15Å; Q530-N532 VanDerWaalsContact C-N 3.35Å; Q530-N532 PolarHBondContact O-N 2.77Å; Q530-K533 WeakPolarHBondContact O-CB 3.02Å; Q530-K533 PolarHBondContact O-N 3.43Å; Q530-I534 WeakPolarHBondContact O-CG1 3.37Å; Q530-I534 PolarHBondContact O-N 3.38Å
531	L	54.2	Low	53.5	Low	90 Å²	90	68.3 Å²	68.3	47%	0.471	34%	0.335	S	S	.	.	H	α-helix	trans	-63.6	-41.3	175.5	-169.1	69.7	0	0	0	111.3	Q527 T528 I534 K535	Q527-L531 WeakPolarHBondContact O-CB 3.03Å; Q527-L531 PolarHBondContact O-N 3.01Å; T528-L531 PolarHBondContact O-N 2.87Å; L531-I534 PolarHBondContact O-N 3.48Å; L531-K535 WeakPolarHBondContact O-CB 3.32Å; L531-K535 PolarHBondContact O-N 2.72Å
532	N	57.2	Low	55.1	Low	91 Å²	91	69 Å²	69	49%	0.487	33%	0.332	S	S	.	.	H	α-helix	trans	-63.7	-39.7	174.3	-79.9	-27.1	0	0	0	112.3	T528 L529 Q530 K535 K536	T528-N532 WeakPolarHBondContact O-CB 3.29Å; T528-N532 PolarHBondContact O-N 2.89Å; T528-N532 PolarHBondContact O-ND2 3.05Å; L529-N532 PolarHBondContact O-N 2.94Å; Q530-N532 VanDerWaalsContact C-N 3.35Å; Q530-N532 PolarHBondContact O-N 2.77Å; N532-K535 PolarHBondContact O-N 3.32Å; N532-K536 PolarHBondContact O-N 3.19Å; N532-K536 VanDerWaalsContact O-N 3.14Å
533	K	59	Low	56.6	Low	38 Å²	38	64.5 Å²	64.5	17%	0.165	31%	0.31	C	S	.	.	H	α-helix	trans	-60.1	-49.1	172.4	-73.8	177.9	-177.6	-175.6	0	110.8	E208 I300 L529 Q530 K535 K536 I537	E208-K533 VanDerWaalsContact CD-NZ 3.29Å; E208-K533 IonicContact OE1-NZ 3.44Å; E208-K533 PolarHBondContact OE1-NZ 2.94Å; E208-K533 WeakPolarHBondContact OE2-CE 3.3Å; E208-K533 IonicContact OE2-NZ 3.47Å; E208-K533 PolarHBondContact OE2-NZ 2.95Å; I300-K533 HydrophobicContact CG2-CD 4.36Å; L529-K533 WeakPolarHBondContact O-CG 3.03Å; L529-K533 PolarHBondContact O-N 3.2Å; Q530-K533 WeakPolarHBondContact O-CB 3.02Å; Q530-K533 PolarHBondContact O-N 3.43Å; K533-K535 PolarHBondContact O-N 2.75Å; K533-K536 PolarHBondContact O-N 3.37Å; K533-I537 VanDerWaalsContact O-CG1 3.27Å; K533-I537 WeakPolarHBondContact O-CG1 3.49Å; K533-I537 PolarHBondContact O-N 3.48Å
534	I	62.8	Low	58	Low	15 Å²	15	61.5 Å²	61.5	8%	0.077	29%	0.292	C	S	.	.	H	α-helix	trans	-60.7	-46.6	178.1	-72.4	172.9	0	0	0	111.7	I431 Q530 L531 K536 I537 Y538	I431-I534 HydrophobicContact CD1-CD1 3.3Å; Q530-I534 WeakPolarHBondContact O-CG1 3.37Å; Q530-I534 PolarHBondContact O-N 3.38Å; L531-I534 PolarHBondContact O-N 3.48Å; I534-K536 VanDerWaalsContact C-N 3.27Å; I534-K536 PolarHBondContact O-N 3.33Å; I534-I537 PolarHBondContact O-N 2.83Å; I534-I537 VanDerWaalsContact O-N 3.13Å; I534-Y538 HydrophobicContact CG2-CD2 3.57Å; I534-Y538 HydrophobicContact CG2-CE2 3.39Å; I534-Y538 VanDerWaalsContact O-CD2 3.24Å; I534-Y538 WeakPolarHBondContact O-CD2 3.27Å; I534-Y538 PolarHBondContact O-N 3.42Å
535	K	61.4	Low	59.7	Low	57 Å²	57	58.3 Å²	58.3	25%	0.248	28%	0.279	C	S	.	.	H	α-helix	trans	-55.9	-41.6	178	-174.5	177.9	-178.9	178.1	0	111.8	L531 N532 K533 Y538 Q539	L531-K535 WeakPolarHBondContact O-CB 3.32Å; L531-K535 PolarHBondContact O-N 2.72Å; N532-K535 PolarHBondContact O-N 3.32Å; K533-K535 PolarHBondContact O-N 2.75Å; K535-Y538 PolarHBondContact O-N 3.33Å; K535-Q539 WeakPolarHBondContact O-CG 3.26Å; K535-Q539 PolarHBondContact O-N 3.16Å; K535-Q539 VanDerWaalsContact O-N 3.1Å
536	K	63.9	Low	60.9	Low	30 Å²	30	54.2 Å²	54.2	13%	0.13	26%	0.258	C	S	.	.	H	α-helix	trans	-71.5	-38.2	176.2	-78.7	-166.7	162.4	-162.7	0	113.3	F212 Y296 N532 K533 I534 Y538 Q539 I540	F212-K536 HydrophobicContact CD2-CD 4.14Å; F212-K536 HydrophobicContact CE2-CD 3.61Å; F212-K536 HydrophobicContact CZ-CD 4.34Å; Y296-K536 HydrophobicContact CE1-CD 4.26Å; Y296-K536 WeakPolarHBondContact OH-CD 3.31Å; N532-K536 PolarHBondContact O-N 3.19Å; N532-K536 VanDerWaalsContact O-N 3.14Å; K533-K536 PolarHBondContact O-N 3.37Å; I534-K536 VanDerWaalsContact C-N 3.27Å; I534-K536 PolarHBondContact O-N 3.33Å; K536-Y538 VanDerWaalsContact C-N 3.26Å; K536-Y538 PolarHBondContact O-N 3.28Å; K536-Q539 WeakPolarHBondContact O-CB 3.49Å; K536-Q539 PolarHBondContact O-N 3.07Å; K536-Q539 VanDerWaalsContact O-N 3.13Å; K536-I540 WeakPolarHBondContact O-CG1 2.95Å; K536-I540 PolarHBondContact O-N 2.74Å
537	I	65.7	Low	62	Low	10 Å²	10	47.9 Å²	47.9	5%	0.051	23%	0.231	C	C	.	.	H	α-helix	trans	-59.2	-41.7	173.3	-65.5	162.5	0	0	0	110.2	L423 K533 I534 I540 F541	L423-I537 HydrophobicContact CB-CD1 4.49Å; L423-I537 HydrophobicContact CD2-CD1 3.34Å; L423-I537 HydrophobicContact CD2-CG1 3.75Å; L423-I537 HydrophobicContact CG-CD1 3.88Å; K533-I537 VanDerWaalsContact O-CG1 3.27Å; K533-I537 WeakPolarHBondContact O-CG1 3.49Å; K533-I537 PolarHBondContact O-N 3.48Å; I534-I537 PolarHBondContact O-N 2.83Å; I534-I537 VanDerWaalsContact O-N 3.13Å; I537-I540 PolarHBondContact O-N 3.07Å; I537-F541 WeakPolarHBondContact O-CB 3.27Å; I537-F541 PolarHBondContact O-N 3.33Å
538	Y	64.5	Low	63.3	Low	61 Å²	61	44.6 Å²	44.6	24%	0.239	22%	0.217	C	C	.	.	H	α-helix	trans	-62.1	-43.6	173.7	-83.5	-69.8	0	0	0	112.4	R424 I534 K535 K536 I540 F541 Y542	R424-Y538 PolarHBondContact NE-OH 3.18Å; I534-Y538 HydrophobicContact CG2-CD2 3.57Å; I534-Y538 HydrophobicContact CG2-CE2 3.39Å; I534-Y538 VanDerWaalsContact O-CD2 3.24Å; I534-Y538 WeakPolarHBondContact O-CD2 3.27Å; I534-Y538 PolarHBondContact O-N 3.42Å; K535-Y538 PolarHBondContact O-N 3.33Å; K536-Y538 VanDerWaalsContact C-N 3.26Å; K536-Y538 PolarHBondContact O-N 3.28Å; Y538-I540 VanDerWaalsContact C-N 3.32Å; Y538-I540 PolarHBondContact O-N 3.14Å; Y538-F541 WeakPolarHBondContact O-CB 3.48Å; Y538-F541 PolarHBondContact O-N 3.49Å; Y538-Y542 HydrophobicContact CD1-CE2 4.35Å; Y538-Y542 WeakPolarHBondContact O-CD2 2.91Å; Y538-Y542 PolarHBondContact O-N 3.43Å
539	Q	66	Low	64.5	Low	36 Å²	36	44.3 Å²	44.3	17%	0.168	21%	0.212	C	C	.	.	H	α-helix	trans	-59.5	-42.5	175.9	-72.5	176.4	-2.7	0	0	112.2	K535 K536 F543 N634	K535-Q539 WeakPolarHBondContact O-CG 3.26Å; K535-Q539 PolarHBondContact O-N 3.16Å; K535-Q539 VanDerWaalsContact O-N 3.1Å; K536-Q539 WeakPolarHBondContact O-CB 3.49Å; K536-Q539 PolarHBondContact O-N 3.07Å; K536-Q539 VanDerWaalsContact O-N 3.13Å; Q539-F543 WeakPolarHBondContact O-CB 3.26Å; Q539-F543 PolarHBondContact O-N 3.48Å; Q539-N634 PolarHBondContact NE2-ND2 3.35Å; Q539-N634 PolarHBondContact NE2-OD1 3.31Å
540	I	66.8	Low	65.4	Low	12 Å²	12	41 Å²	41	6%	0.062	19%	0.194	C	C	.	.	H	α-helix	trans	-68.8	-38.5	178.4	-61.4	163.5	0	0	0	110.8	N293 Y296 I297 K536 I537 Y538 F543 S544	N293-I540 HydrophobicContact CB-CG2 4.14Å; Y296-I540 HydrophobicContact CD1-CD1 3.76Å; Y296-I540 HydrophobicContact CE1-CD1 4.16Å; I297-I540 HydrophobicContact CD1-CG2 3.66Å; I297-I540 HydrophobicContact CG1-CD1 4.02Å; I297-I540 HydrophobicContact CG1-CG2 4.31Å; K536-I540 WeakPolarHBondContact O-CG1 2.95Å; K536-I540 PolarHBondContact O-N 2.74Å; I537-I540 PolarHBondContact O-N 3.07Å; Y538-I540 VanDerWaalsContact C-N 3.32Å; Y538-I540 PolarHBondContact O-N 3.14Å; I540-F543 PolarHBondContact O-N 2.78Å; I540-S544 WeakPolarHBondContact O-CB 3.43Å; I540-S544 PolarHBondContact O-N 2.77Å; I540-S544 PolarHBondContact O-OG 3.28Å
541	F	68.7	Low	66.3	Low	45 Å²	45	38.2 Å²	38.2	20%	0.197	18%	0.182	C	C	.	.	H	α-helix	trans	-61.7	-49	174.9	-179.2	-98	0	0	0	111.9	C417 I537 Y538 F543 S544 I545	C417-F541 WeakPolarHBondContact SG-CE2 3.39Å; I537-F541 WeakPolarHBondContact O-CB 3.27Å; I537-F541 PolarHBondContact O-N 3.33Å; Y538-F541 WeakPolarHBondContact O-CB 3.48Å; Y538-F541 PolarHBondContact O-N 3.49Å; F541-F543 PolarHBondContact O-N 2.84Å; F541-S544 WeakPolarHBondContact O-CB 3.14Å; F541-S544 PolarHBondContact O-N 3.49Å; F541-I545 HydrophobicContact CD1-CD1 3.73Å; F541-I545 HydrophobicContact CE1-CD1 3.2Å; F541-I545 HydrophobicContact CE1-CG1 4.31Å; F541-I545 HydrophobicContact CE2-CD1 4.38Å; F541-I545 HydrophobicContact CZ-CD1 3.58Å; F541-I545 HydrophobicContact CZ-CG1 4.46Å; F541-I545 WeakPolarHBondContact O-CG1 3.5Å; F541-I545 PolarHBondContact O-N 3.49Å
542	Y	67.1	Low	67.1	Low	105 Å²	105	37.7 Å²	37.7	41%	0.412	18%	0.179	S	C	.	.	H	α-helix	trans	-61	-45.2	176	-79.9	-64.6	0	0	0	111.9	Y538 S544 I545 S546 H633	Y538-Y542 HydrophobicContact CD1-CE2 4.35Å; Y538-Y542 WeakPolarHBondContact O-CD2 2.91Å; Y538-Y542 PolarHBondContact O-N 3.43Å; Y542-S544 VanDerWaalsContact C-N 3.28Å; Y542-S544 PolarHBondContact O-N 3.19Å; Y542-I545 PolarHBondContact O-N 2.73Å; Y542-S546 WeakPolarHBondContact O-CB 3.37Å; Y542-S546 PolarHBondContact O-N 2.91Å; Y542-S546 PolarHBondContact O-OG 2.88Å; Y542-H633 AromaticContact CE2-CD2 3.9Å; Y542-H633 AromaticContact CE2-NE2 3.75Å
543	F	67.4	Low	67.8	Low	31 Å²	31	34.8 Å²	34.8	14%	0.136	17%	0.165	C	C	.	.	H	α-helix	trans	-60	-39.3	175.4	-178.7	-105	0	0	0	112.1	I289 Q539 I540 F541 S546 L547	I289-F543 HydrophobicContact CG2-CE1 3.62Å; I289-F543 HydrophobicContact CG2-CZ 3.64Å; Q539-F543 WeakPolarHBondContact O-CB 3.26Å; Q539-F543 PolarHBondContact O-N 3.48Å; I540-F543 PolarHBondContact O-N 2.78Å; F541-F543 PolarHBondContact O-N 2.84Å; F543-S546 WeakPolarHBondContact O-CB 3.48Å; F543-S546 PolarHBondContact O-N 3.42Å; F543-L547 HydrophobicContact CD1-CD1 3.72Å; F543-L547 HydrophobicContact CD1-CG 4.4Å; F543-L547 HydrophobicContact CE1-CD1 3.21Å; F543-L547 HydrophobicContact CE1-CG 4.03Å; F543-L547 HydrophobicContact CE2-CD1 4.43Å; F543-L547 HydrophobicContact CE2-CG 4.42Å; F543-L547 HydrophobicContact CZ-CD1 3.62Å; F543-L547 HydrophobicContact CZ-CD2 4.22Å; F543-L547 HydrophobicContact CZ-CG 4.03Å; F543-L547 WeakPolarHBondContact O-CG 3.29Å; F543-L547 PolarHBondContact O-N 2.82Å
544	S	69.6	Low	68.4	Low	1 Å²	1	33 Å²	33	1%	0.007	16%	0.158	C	C	.	.	H	α-helix	trans	-66.1	-42.2	176.9	-56.8	0	0	0	0	111.7	I540 F541 Y542 L547 I548	I540-S544 WeakPolarHBondContact O-CB 3.43Å; I540-S544 PolarHBondContact O-N 2.77Å; I540-S544 PolarHBondContact O-OG 3.28Å; F541-S544 WeakPolarHBondContact O-CB 3.14Å; F541-S544 PolarHBondContact O-N 3.49Å; Y542-S544 VanDerWaalsContact C-N 3.28Å; Y542-S544 PolarHBondContact O-N 3.19Å; S544-L547 PolarHBondContact O-N 3.18Å; S544-I548 VanDerWaalsContact O-CG1 3.26Å; S544-I548 WeakPolarHBondContact O-CG1 3.28Å; S544-I548 PolarHBondContact O-N 3.21Å
545	I	70.6	Confident	68.8	Low	47 Å²	47	33.6 Å²	33.6	24%	0.241	16%	0.161	C	C	.	.	H	α-helix	trans	-62.2	-45.5	174.3	-70.1	174	0	0	0	111	F541 Y542 L547 I548 I549	F541-I545 HydrophobicContact CD1-CD1 3.73Å; F541-I545 HydrophobicContact CE1-CD1 3.2Å; F541-I545 HydrophobicContact CE1-CG1 4.31Å; F541-I545 HydrophobicContact CE2-CD1 4.38Å; F541-I545 HydrophobicContact CZ-CD1 3.58Å; F541-I545 HydrophobicContact CZ-CG1 4.46Å; F541-I545 WeakPolarHBondContact O-CG1 3.5Å; F541-I545 PolarHBondContact O-N 3.49Å; Y542-I545 PolarHBondContact O-N 2.73Å; I545-L547 VanDerWaalsContact C-N 3.29Å; I545-L547 PolarHBondContact O-N 3.11Å; I545-I548 WeakPolarHBondContact O-CB 3.34Å; I545-I548 PolarHBondContact O-N 3.18Å; I545-I548 VanDerWaalsContact O-N 3.15Å; I545-I549 HydrophobicContact CG2-CD1 3.94Å; I545-I549 WeakPolarHBondContact O-CG1 3.34Å; I545-I549 PolarHBondContact O-N 2.75Å
546	S	68.7	Low	69.4	Low	18 Å²	18	33.7 Å²	33.7	13%	0.126	16%	0.164	C	C	.	.	H	α-helix	trans	-54.8	-44.3	175.4	-76.9	0	0	0	0	112.4	Y542 F543 I549 L550 C626	Y542-S546 WeakPolarHBondContact O-CB 3.37Å; Y542-S546 PolarHBondContact O-N 2.91Å; Y542-S546 PolarHBondContact O-OG 2.88Å; F543-S546 WeakPolarHBondContact O-CB 3.48Å; F543-S546 PolarHBondContact O-N 3.42Å; S546-I549 PolarHBondContact O-N 3.44Å; S546-L550 WeakPolarHBondContact O-CB 3.35Å; S546-L550 PolarHBondContact O-N 3.02Å; S546-C626 WeakPolarHBondContact CB-SG 3Å; S546-C626 WeakPolarHBondContact OG-CB 3.44Å; S546-C626 PolarHBondContact OG-SG 3.49Å
547	L	70.6	Confident	69.8	Low	11 Å²	11	32.7 Å²	32.7	6%	0.058	16%	0.16	C	C	.	.	H	α-helix	trans	-68.7	-35.9	176.6	-73.4	173.9	0	0	0	113.2	I286 I290 S413 F543 S544 I545 I549 L550 S551	I286-L547 HydrophobicContact CG2-CD2 3.83Å; I290-L547 HydrophobicContact CD1-CD1 3.69Å; I290-L547 HydrophobicContact CG1-CD1 3.51Å; S413-L547 WeakPolarHBondContact OG-CB 3.48Å; F543-L547 HydrophobicContact CD1-CD1 3.72Å; F543-L547 HydrophobicContact CD1-CG 4.4Å; F543-L547 HydrophobicContact CE1-CD1 3.21Å; F543-L547 HydrophobicContact CE1-CG 4.03Å; F543-L547 HydrophobicContact CE2-CD1 4.43Å; F543-L547 HydrophobicContact CE2-CG 4.42Å; F543-L547 HydrophobicContact CZ-CD1 3.62Å; F543-L547 HydrophobicContact CZ-CD2 4.22Å; F543-L547 HydrophobicContact CZ-CG 4.03Å; F543-L547 WeakPolarHBondContact O-CG 3.29Å; F543-L547 PolarHBondContact O-N 2.82Å; S544-L547 PolarHBondContact O-N 3.18Å; I545-L547 VanDerWaalsContact C-N 3.29Å; I545-L547 PolarHBondContact O-N 3.11Å; L547-I549 VanDerWaalsContact C-N 3.33Å; L547-L550 HydrophobicContact CD2-CD2 4.27Å; L547-L550 PolarHBondContact O-N 2.82Å; L547-S551 VanDerWaalsContact O-CB 3.23Å; L547-S551 WeakPolarHBondContact O-CB 3.17Å; L547-S551 PolarHBondContact O-N 2.94Å
548	I	72.2	Confident	70.1	Confident	36 Å²	36	32.4 Å²	32.4	19%	0.185	16%	0.158	C	C	.	.	H	α-helix	trans	-59.8	-47.4	173.2	-69.5	165.3	0	0	0	109.8	F410 I414 C417 S544 I545 S551 L552	F410-I548 HydrophobicContact CD2-CG2 4.16Å; F410-I548 HydrophobicContact CE2-CG2 3.73Å; I414-I548 HydrophobicContact CG1-CD1 3.79Å; I414-I548 HydrophobicContact CG1-CG1 4.02Å; C417-I548 HydrophobicContact CB-CD1 4.39Å; S544-I548 VanDerWaalsContact O-CG1 3.26Å; S544-I548 WeakPolarHBondContact O-CG1 3.28Å; S544-I548 PolarHBondContact O-N 3.21Å; I545-I548 WeakPolarHBondContact O-CB 3.34Å; I545-I548 PolarHBondContact O-N 3.18Å; I545-I548 VanDerWaalsContact O-N 3.15Å; I548-S551 PolarHBondContact O-N 3.41Å; I548-L552 WeakPolarHBondContact O-CB 3.42Å; I548-L552 PolarHBondContact O-N 2.79Å
549	I	71.9	Confident	70.5	Confident	60 Å²	60	34.1 Å²	34.1	31%	0.308	17%	0.167	S	C	.	.	H	α-helix	trans	-62.9	-48.2	178.9	-64.5	167.2	0	0	0	110.3	F7 I545 S546 L547 S551 L552 C553	F7-I549 HydrophobicContact CE2-CD1 3.77Å; F7-I549 HydrophobicContact CZ-CD1 3.92Å; I545-I549 HydrophobicContact CG2-CD1 3.94Å; I545-I549 WeakPolarHBondContact O-CG1 3.34Å; I545-I549 PolarHBondContact O-N 2.75Å; S546-I549 PolarHBondContact O-N 3.44Å; L547-I549 VanDerWaalsContact C-N 3.33Å; I549-S551 VanDerWaalsContact C-N 3.35Å; I549-S551 PolarHBondContact O-N 2.93Å; I549-L552 PolarHBondContact O-N 3.44Å; I549-C553 PolarHBondContact O-N 2.96Å; I549-C553 PolarHBondContact O-SG 3.15Å
550	L	71.3	Confident	70.7	Confident	8 Å²	8	34.6 Å²	34.6	4%	0.042	17%	0.17	C	C	.	.	H	α-helix	trans	-55.7	-50.9	177.2	179.1	70.3	0	0	0	111.3	I286 S546 L547 L552 C553 L554 I618 V622	I286-L550 HydrophobicContact CD1-CD2 4.34Å; S546-L550 WeakPolarHBondContact O-CB 3.35Å; S546-L550 PolarHBondContact O-N 3.02Å; L547-L550 HydrophobicContact CD2-CD2 4.27Å; L547-L550 PolarHBondContact O-N 2.82Å; L550-L552 VanDerWaalsContact C-N 3.32Å; L550-L552 PolarHBondContact O-N 3.28Å; L550-C553 PolarHBondContact O-N 2.93Å; L550-L554 HydrophobicContact CD1-CD1 3.96Å; L550-L554 HydrophobicContact CG-CD1 4Å; L550-L554 WeakPolarHBondContact O-CG 3.44Å; L550-L554 PolarHBondContact O-N 3.45Å; L550-I618 HydrophobicContact CD1-CG2 3.69Å; L550-V622 HydrophobicContact CB-CG1 3.9Å; L550-V622 HydrophobicContact CD1-CB 3.75Å; L550-V622 HydrophobicContact CD1-CG1 3.75Å; L550-V622 HydrophobicContact CD1-CG2 4.36Å; L550-V622 HydrophobicContact CG-CG1 4.41Å
551	S	71.6	Confident	70.8	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.007	17%	0.172	C	C	.	.	H	α-helix	trans	-65.8	-36	-177.1	-170.7	0	0	0	0	112.3	N406 F410 L547 I548 I549 L555	N406-S551 PolarHBondContact O-OG 2.94Å; F410-S551 WeakPolarHBondContact CB-OG 3.46Å; L547-S551 VanDerWaalsContact O-CB 3.23Å; L547-S551 WeakPolarHBondContact O-CB 3.17Å; L547-S551 PolarHBondContact O-N 2.94Å; I548-S551 PolarHBondContact O-N 3.41Å; I549-S551 VanDerWaalsContact C-N 3.35Å; I549-S551 PolarHBondContact O-N 2.93Å; S551-L555 WeakPolarHBondContact O-CB 2.8Å; S551-L555 PolarHBondContact O-N 2.85Å
552	L	72.2	Confident	70.9	Confident	78 Å²	78	35.5 Å²	35.5	41%	0.408	18%	0.175	S	C	.	.	H	α-helix	trans	-67.5	-46.9	176.2	-170.9	110	0	0	0	111.1	F410 I548 I549 L550 L554 L555 I556	F410-L552 HydrophobicContact CE2-CD1 4.1Å; F410-L552 HydrophobicContact CZ-CD1 4.47Å; I548-L552 WeakPolarHBondContact O-CB 3.42Å; I548-L552 PolarHBondContact O-N 2.79Å; I549-L552 PolarHBondContact O-N 3.44Å; L550-L552 VanDerWaalsContact C-N 3.32Å; L550-L552 PolarHBondContact O-N 3.28Å; L552-L554 VanDerWaalsContact C-N 3.32Å; L552-L554 PolarHBondContact O-N 3.48Å; L552-L555 PolarHBondContact O-N 2.91Å; L552-I556 HydrophobicContact CD2-CD1 3.84Å; L552-I556 HydrophobicContact CG-CD1 4.07Å; L552-I556 VanDerWaalsContact O-CG1 3.27Å; L552-I556 WeakPolarHBondContact O-CG1 3.44Å; L552-I556 PolarHBondContact O-N 3.35Å
553	C	72.5	Confident	71	Confident	30 Å²	30	34.7 Å²	34.7	20%	0.203	18%	0.177	C	C	.	.	H	α-helix	trans	-59.1	-43.9	177.5	-70.6	0	0	0	0	111.7	I549 L550 N557 I618	I549-C553 PolarHBondContact O-N 2.96Å; I549-C553 PolarHBondContact O-SG 3.15Å; L550-C553 PolarHBondContact O-N 2.93Å; C553-N557 WeakPolarHBondContact O-CB 3.36Å; C553-N557 PolarHBondContact O-N 3.37Å; C553-I618 HydrophobicContact CB-CD1 4.04Å; C553-I618 HydrophobicContact CB-CG1 4.37Å; C553-I618 HydrophobicContact CB-CG2 4.05Å
554	L	70.7	Confident	71	Confident	2 Å²	2	34.4 Å²	34.4	1%	0.01	18%	0.176	C	C	.	.	H	α-helix	trans	-69.8	-41.4	177.7	-69.5	172.8	0	0	0	112	W283 L550 L552 I556 N557 H558 E615 I618 T619	W283-L554 HydrophobicContact CH2-CD1 3.64Å; W283-L554 HydrophobicContact CZ2-CD1 3.39Å; L550-L554 HydrophobicContact CD1-CD1 3.96Å; L550-L554 HydrophobicContact CG-CD1 4Å; L550-L554 WeakPolarHBondContact O-CG 3.44Å; L550-L554 PolarHBondContact O-N 3.45Å; L552-L554 VanDerWaalsContact C-N 3.32Å; L552-L554 PolarHBondContact O-N 3.48Å; L554-I556 VanDerWaalsContact C-N 3.31Å; L554-I556 PolarHBondContact O-N 2.92Å; L554-N557 WeakPolarHBondContact O-CB 3.36Å; L554-N557 PolarHBondContact O-N 2.84Å; L554-N557 VanDerWaalsContact O-N 3.12Å; L554-H558 PolarHBondContact O-CD2 2.71Å; L554-H558 PolarHBondContact O-N 3.43Å; L554-E615 HydrophobicContact CD2-CG 4.1Å; L554-I618 HydrophobicContact CD1-CG2 4.31Å; L554-I618 HydrophobicContact CD2-CB 3.96Å; L554-I618 HydrophobicContact CD2-CD1 4.3Å; L554-I618 HydrophobicContact CD2-CG2 3.6Å; L554-I618 HydrophobicContact CG-CG2 3.68Å; L554-T619 HydrophobicContact CD2-CG2 4.43Å
555	L	72.3	Confident	70.7	Confident	27 Å²	27	35.8 Å²	35.8	14%	0.141	18%	0.181	C	C	.	.	H	α-helix	trans	-58.2	-45	175.4	-176	68.9	0	0	0	111.2	I403 S551 L552 H558 F559	I403-L555 HydrophobicContact CG2-CD1 3.92Å; S551-L555 WeakPolarHBondContact O-CB 2.8Å; S551-L555 PolarHBondContact O-N 2.85Å; L552-L555 PolarHBondContact O-N 2.91Å; L555-H558 PolarHBondContact O-N 2.88Å; L555-F559 HydrophobicContact CD1-CD2 4.07Å; L555-F559 HydrophobicContact CD1-CE2 3.55Å; L555-F559 HydrophobicContact CD1-CZ 4.2Å; L555-F559 HydrophobicContact CD2-CE2 3.9Å; L555-F559 HydrophobicContact CG-CD2 3.76Å; L555-F559 HydrophobicContact CG-CE2 3.45Å; L555-F559 VanDerWaalsContact CG-CE2 3.45Å; L555-F559 WeakPolarHBondContact O-CD2 3.34Å; L555-F559 PolarHBondContact O-N 3.3Å
556	I	73.6	Confident	70.5	Confident	59 Å²	59	35.3 Å²	35.3	30%	0.303	19%	0.189	S	C	.	.	H	α-helix	trans	-60.3	-46.3	174.3	-67.8	165.5	0	0	0	110.4	I18 L552 L554 H558 F559 I560	I18-I556 HydrophobicContact CD1-CD1 4.38Å; L552-I556 HydrophobicContact CD2-CD1 3.84Å; L552-I556 HydrophobicContact CG-CD1 4.07Å; L552-I556 VanDerWaalsContact O-CG1 3.27Å; L552-I556 WeakPolarHBondContact O-CG1 3.44Å; L552-I556 PolarHBondContact O-N 3.35Å; L554-I556 VanDerWaalsContact C-N 3.31Å; L554-I556 PolarHBondContact O-N 2.92Å; I556-H558 VanDerWaalsContact C-N 3.35Å; I556-H558 PolarHBondContact O-N 3.06Å; I556-F559 PolarHBondContact O-N 3.05Å; I556-I560 HydrophobicContact CG2-CD1 3.77Å; I556-I560 HydrophobicContact CG2-CG1 4.39Å; I556-I560 VanDerWaalsContact O-CG1 3.3Å; I556-I560 WeakPolarHBondContact O-CG1 3.36Å; I556-I560 PolarHBondContact O-N 3.13Å
557	N	71.1	Confident	70.3	Confident	9 Å²	9	38.5 Å²	38.5	5%	0.048	20%	0.204	C	C	.	.	H	α-helix	trans	-60.2	-43.2	178.2	-166.8	49.7	0	0	0	112.1	C553 L554 I560 R561 C611 I618	C553-N557 WeakPolarHBondContact O-CB 3.36Å; C553-N557 PolarHBondContact O-N 3.37Å; L554-N557 WeakPolarHBondContact O-CB 3.36Å; L554-N557 PolarHBondContact O-N 2.84Å; L554-N557 VanDerWaalsContact O-N 3.12Å; N557-I560 PolarHBondContact O-N 3.37Å; N557-R561 WeakPolarHBondContact O-CB 3.46Å; N557-R561 PolarHBondContact O-N 3.37Å; N557-C611 PolarHBondContact ND2-O 2.96Å; N557-C611 PolarHBondContact OD1-O 3.45Å; N557-I618 HydrophobicContact CB-CD1 4.39Å
558	H	72.7	Confident	69.9	Low	3 Å²	3	38.6 Å²	38.6	1%	0.014	20%	0.204	C	C	.	.	H	α-helix	trans	-68.1	-36.4	176.9	-68	-60.5	0	0	0	112.5	D402 I403 N406 L554 L555 I556 R561 L562 E615	D402-H558 IonicContact OD2-CE1 2.76Å; D402-H558 IonicContact OD2-ND1 3.97Å; I403-H558 HydrophobicContact CG1-CB 4.11Å; N406-H558 PolarHBondContact ND2-CD2 3.3Å; N406-H558 PolarHBondContact ND2-NE2 2.75Å; L554-H558 PolarHBondContact O-CD2 2.71Å; L554-H558 PolarHBondContact O-N 3.43Å; L555-H558 PolarHBondContact O-N 2.88Å; I556-H558 VanDerWaalsContact C-N 3.35Å; I556-H558 PolarHBondContact O-N 3.06Å; H558-R561 VanDerWaalsContact ND1-CZ 3.32Å; H558-R561 PolarHBondContact ND1-NH1 2.86Å; H558-R561 PolarHBondContact ND1-NH2 3.23Å; H558-R561 VanDerWaalsContact ND1-NH2 3.13Å; H558-R561 WeakPolarHBondContact O-CB 3.42Å; H558-R561 PolarHBondContact O-N 2.84Å; H558-L562 WeakPolarHBondContact O-CB 3.38Å; H558-L562 PolarHBondContact O-N 2.93Å; H558-E615 IonicContact CE1-OE1 3.81Å; H558-E615 IonicContact CE1-OE2 2.63Å
559	F	73.4	Confident	69.5	Low	97 Å²	97	37.9 Å²	37.9	43%	0.425	20%	0.201	S	C	.	.	H	α-helix	trans	-64.7	-45.1	172.9	-82.8	-58.1	0	0	0	111.9	I403 L555 I556 R561 L562 I563	I403-F559 HydrophobicContact CD1-CE1 4.48Å; L555-F559 HydrophobicContact CD1-CD2 4.07Å; L555-F559 HydrophobicContact CD1-CE2 3.55Å; L555-F559 HydrophobicContact CD1-CZ 4.2Å; L555-F559 HydrophobicContact CD2-CE2 3.9Å; L555-F559 HydrophobicContact CG-CD2 3.76Å; L555-F559 HydrophobicContact CG-CE2 3.45Å; L555-F559 VanDerWaalsContact CG-CE2 3.45Å; L555-F559 WeakPolarHBondContact O-CD2 3.34Å; L555-F559 PolarHBondContact O-N 3.3Å; I556-F559 PolarHBondContact O-N 3.05Å; F559-R561 VanDerWaalsContact C-N 3.28Å; F559-R561 PolarHBondContact O-N 3.4Å; F559-L562 PolarHBondContact O-N 3.42Å; F559-I563 VanDerWaalsContact O-CG1 3.3Å; F559-I563 WeakPolarHBondContact O-CG1 3.46Å; F559-I563 PolarHBondContact O-N 3.41Å
560	I	70.4	Confident	69.1	Low	47 Å²	47	43.2 Å²	43.2	24%	0.241	22%	0.217	C	C	.	.	H	α-helix	trans	-57.9	-46.4	174.7	-69	167.1	0	0	0	109.6	I21 I556 N557 L562 I563 I564	I21-I560 HydrophobicContact CG2-CD1 4.44Å; I556-I560 HydrophobicContact CG2-CD1 3.77Å; I556-I560 HydrophobicContact CG2-CG1 4.39Å; I556-I560 VanDerWaalsContact O-CG1 3.3Å; I556-I560 WeakPolarHBondContact O-CG1 3.36Å; I556-I560 PolarHBondContact O-N 3.13Å; N557-I560 PolarHBondContact O-N 3.37Å; I560-L562 VanDerWaalsContact C-N 3.34Å; I560-L562 PolarHBondContact O-N 2.79Å; I560-I563 PolarHBondContact O-N 2.93Å; I560-I564 HydrophobicContact CG2-CD1 3.7Å; I560-I564 HydrophobicContact CG2-CG1 4.42Å; I560-I564 VanDerWaalsContact O-CG1 3.29Å; I560-I564 WeakPolarHBondContact O-CG1 3.42Å; I560-I564 PolarHBondContact O-N 3.33Å
561	R	68.7	Low	68.6	Low	28 Å²	28	44.5 Å²	44.5	11%	0.106	23%	0.227	C	C	.	.	H	α-helix	trans	-58.9	-44.3	176.8	-162.3	-179.6	65.6	-170	2.3	111.8	D402 N557 H558 F559 I564 Y565 L608 C611 E615	D402-R561 IonicContact OD2-CZ 3.43Å; D402-R561 IonicContact OD2-NH1 3.79Å; D402-R561 PolarHBondContact OD2-NH1 3.19Å; D402-R561 IonicContact OD2-NH2 3.83Å; D402-R561 PolarHBondContact OD2-NH2 2.92Å; N557-R561 WeakPolarHBondContact O-CB 3.46Å; N557-R561 PolarHBondContact O-N 3.37Å; H558-R561 VanDerWaalsContact ND1-CZ 3.32Å; H558-R561 PolarHBondContact ND1-NH1 2.86Å; H558-R561 PolarHBondContact ND1-NH2 3.23Å; H558-R561 VanDerWaalsContact ND1-NH2 3.13Å; H558-R561 WeakPolarHBondContact O-CB 3.42Å; H558-R561 PolarHBondContact O-N 2.84Å; F559-R561 VanDerWaalsContact C-N 3.28Å; F559-R561 PolarHBondContact O-N 3.4Å; R561-I564 PolarHBondContact O-N 3.28Å; R561-Y565 HydrophobicContact CG-CD2 3.86Å; R561-Y565 HydrophobicContact CG-CE2 3.63Å; R561-Y565 WeakPolarHBondContact O-CD2 3.42Å; R561-Y565 PolarHBondContact O-N 2.7Å; R561-L608 HydrophobicContact CG-CD1 3.59Å; R561-C611 HydrophobicContact CG-CB 4.47Å; R561-E615 IonicContact NH1-OE2 3.1Å; R561-E615 PolarHBondContact NH1-OE2 3.29Å
562	L	69.2	Low	68.1	Low	47 Å²	47	44.6 Å²	44.6	25%	0.246	23%	0.227	C	C	.	.	H	α-helix	trans	-64.3	-40	177.5	-170.3	72.6	0	0	0	112	I395 I403 H558 F559 I560 Y565 G566	I395-L562 HydrophobicContact CG2-CD1 4.3Å; I403-L562 HydrophobicContact CD1-CD2 4.36Å; H558-L562 WeakPolarHBondContact O-CB 3.38Å; H558-L562 PolarHBondContact O-N 2.93Å; F559-L562 PolarHBondContact O-N 3.42Å; I560-L562 VanDerWaalsContact C-N 3.34Å; I560-L562 PolarHBondContact O-N 2.79Å; L562-Y565 PolarHBondContact O-N 3.44Å; L562-G566 PolarHBondContact O-N 3.48Å
563	I	70.5	Confident	67.6	Low	89 Å²	89	44.8 Å²	44.8	46%	0.456	23%	0.227	S	C	.	.	H	α-helix	trans	-64.2	-44.1	175.5	-68.2	164.3	0	0	0	110.4	F559 I560 G566 N567	F559-I563 VanDerWaalsContact O-CG1 3.3Å; F559-I563 WeakPolarHBondContact O-CG1 3.46Å; F559-I563 PolarHBondContact O-N 3.41Å; I560-I563 PolarHBondContact O-N 2.93Å; I563-G566 PolarHBondContact O-N 2.7Å; I563-N567 WeakPolarHBondContact O-CB 3.46Å; I563-N567 PolarHBondContact O-N 3.27Å
564	I	66.2	Low	67	Low	24 Å²	24	47.9 Å²	47.9	12%	0.123	24%	0.241	C	C	.	.	H	α-helix	trans	-61.7	-46.1	176.2	-66.7	161.9	0	0	0	110.2	I560 R561 G566 N567 L568 P604	I560-I564 HydrophobicContact CG2-CD1 3.7Å; I560-I564 HydrophobicContact CG2-CG1 4.42Å; I560-I564 VanDerWaalsContact O-CG1 3.29Å; I560-I564 WeakPolarHBondContact O-CG1 3.42Å; I560-I564 PolarHBondContact O-N 3.33Å; R561-I564 PolarHBondContact O-N 3.28Å; I564-G566 PolarHBondContact O-N 3.44Å; I564-N567 PolarHBondContact O-N 3.32Å; I564-L568 VanDerWaalsContact O-CB 3.29Å; I564-L568 WeakPolarHBondContact O-CB 3.41Å; I564-L568 PolarHBondContact O-N 3.33Å; I564-P604 HydrophobicContact CG2-CB 4.25Å
565	Y	65.1	Low	66.6	Low	30 Å²	30	49.4 Å²	49.4	12%	0.118	25%	0.247	C	C	.	.	H	α-helix	trans	-59.8	-44.1	174.7	-85.2	-63.9	0	0	0	112	R561 L562 L568 M569 L608	R561-Y565 HydrophobicContact CG-CD2 3.86Å; R561-Y565 HydrophobicContact CG-CE2 3.63Å; R561-Y565 WeakPolarHBondContact O-CD2 3.42Å; R561-Y565 PolarHBondContact O-N 2.7Å; L562-Y565 PolarHBondContact O-N 3.44Å; Y565-L568 PolarHBondContact O-N 2.84Å; Y565-M569 WeakPolarHBondContact O-CB 3.21Å; Y565-M569 WeakPolarHBondContact O-CG 3.42Å; Y565-M569 PolarHBondContact O-N 2.85Å; Y565-L608 HydrophobicContact CD2-CD1 4.32Å; Y565-L608 HydrophobicContact CE1-CD1 4.42Å; Y565-L608 HydrophobicContact CE1-CD2 4.16Å; Y565-L608 HydrophobicContact CE2-CD1 3.55Å; Y565-L608 WeakPolarHBondContact OH-CD2 3.47Å
566	G	64.8	Low	66	Low	38 Å²	38	49.1 Å²	49.1	39%	0.392	25%	0.247	S	C	.	.	H	α-helix	trans	-62.8	-42.6	177.6	0	0	0	0	0	112.7	L562 I563 I564 M569 R570	L562-G566 PolarHBondContact O-N 3.48Å; I563-G566 PolarHBondContact O-N 2.7Å; I564-G566 PolarHBondContact O-N 3.44Å; G566-M569 PolarHBondContact O-N 3.26Å; G566-R570 WeakPolarHBondContact O-CB 3.4Å; G566-R570 PolarHBondContact O-N 3.06Å
567	N	65.1	Low	65.4	Low	84 Å²	84	52.7 Å²	52.7	45%	0.449	27%	0.267	S	S	.	.	H	α-helix	trans	-66.4	-40.8	175.7	-74.6	-9.9	0	0	0	111.8	I563 I564 R570 S571	I563-N567 WeakPolarHBondContact O-CB 3.46Å; I563-N567 PolarHBondContact O-N 3.27Å; I564-N567 PolarHBondContact O-N 3.32Å; N567-R570 PolarHBondContact O-N 3.24Å; N567-S571 WeakPolarHBondContact O-CB 3.49Å; N567-S571 PolarHBondContact O-N 3.46Å
568	L	63.3	Low	64.8	Low	13 Å²	13	55.1 Å²	55.1	7%	0.068	29%	0.285	C	S	.	.	H	α-helix	trans	-60.5	-47.5	175	177.9	65.1	0	0	0	110.9	F365 I564 Y565 S571 Q572 L601 P604	F365-L568 HydrophobicContact CD1-CD2 4.08Å; F365-L568 HydrophobicContact CD2-CD2 4.27Å; F365-L568 HydrophobicContact CE1-CD2 4.12Å; F365-L568 HydrophobicContact CE2-CD2 4.28Å; F365-L568 HydrophobicContact CG-CD2 4.21Å; F365-L568 HydrophobicContact CZ-CD2 4.24Å; I564-L568 VanDerWaalsContact O-CB 3.29Å; I564-L568 WeakPolarHBondContact O-CB 3.41Å; I564-L568 PolarHBondContact O-N 3.33Å; Y565-L568 PolarHBondContact O-N 2.84Å; L568-S571 WeakPolarHBondContact O-CB 3.38Å; L568-S571 PolarHBondContact O-N 2.64Å; L568-Q572 VanDerWaalsContact CG-NE2 3.33Å; L568-Q572 VanDerWaalsContact O-CG 3.27Å; L568-Q572 WeakPolarHBondContact O-CG 3.16Å; L568-Q572 PolarHBondContact O-N 3.22Å; L568-L601 HydrophobicContact CD1-CD2 4.3Å; L568-L601 HydrophobicContact CD1-CG 4.06Å; L568-P604 HydrophobicContact CD1-CB 4.25Å; L568-P604 HydrophobicContact CD1-CG 3.69Å
569	M	62.2	Low	64	Low	22 Å²	22	56.4 Å²	56.4	11%	0.108	29%	0.289	C	S	.	.	H	α-helix	trans	-63.1	-42.8	177.5	-71.1	-67.5	175.9	0	0	111.9	F365 Y565 G566 S571 Q572 M573	F365-M569 HydrophobicContact CE2-CE 3.92Å; Y565-M569 WeakPolarHBondContact O-CB 3.21Å; Y565-M569 WeakPolarHBondContact O-CG 3.42Å; Y565-M569 PolarHBondContact O-N 2.85Å; G566-M569 PolarHBondContact O-N 3.26Å; M569-S571 PolarHBondContact O-N 2.97Å; M569-Q572 WeakPolarHBondContact O-CB 3.45Å; M569-Q572 PolarHBondContact O-N 3.49Å; M569-M573 PolarHBondContact O-N 3.49Å
570	R	63.1	Low	63.1	Low	171 Å²	171	55 Å²	55	65%	0.645	29%	0.286	S	S	*	.	H	α-helix	trans	-62.4	-44	175.9	-176.7	178.5	-177.3	179.6	0.8	111.8	G566 N567 Q572 M573 N574	G566-R570 WeakPolarHBondContact O-CB 3.4Å; G566-R570 PolarHBondContact O-N 3.06Å; N567-R570 PolarHBondContact O-N 3.24Å; R570-Q572 VanDerWaalsContact C-N 3.25Å; R570-Q572 PolarHBondContact O-N 3.48Å; R570-M573 PolarHBondContact O-N 2.98Å; R570-N574 VanDerWaalsContact O-CG 3.3Å; R570-N574 PolarHBondContact O-N 3.34Å; R570-N574 VanDerWaalsContact O-N 3.11Å
571	S	60.9	Low	62.3	Low	35 Å²	35	56.8 Å²	56.8	25%	0.245	29%	0.292	C	S	.	.	H	α-helix	trans	-58.5	-43.2	175.8	-163.8	0	0	0	0	110.4	N567 L568 M569 N574 Y575	N567-S571 WeakPolarHBondContact O-CB 3.49Å; N567-S571 PolarHBondContact O-N 3.46Å; L568-S571 WeakPolarHBondContact O-CB 3.38Å; L568-S571 PolarHBondContact O-N 2.64Å; M569-S571 PolarHBondContact O-N 2.97Å; S571-N574 PolarHBondContact O-N 3.38Å; S571-Y575 WeakPolarHBondContact O-CD2 3.26Å; S571-Y575 PolarHBondContact O-N 3.38Å; S571-Y575 VanDerWaalsContact O-N 3.09Å; S571-Y575 WeakPolarHBondContact OG-CE2 3.18Å
572	Q	61.2	Low	61.4	Low	4 Å²	4	62.8 Å²	62.8	2%	0.019	33%	0.327	C	S	.	.	H	α-helix	trans	-64.3	-46.6	178.6	-73.7	161.9	6.1	0	0	113.1	I383 L568 M569 R570 N574 Y575 C576 L601	I383-Q572 HydrophobicContact CG2-CB 4.35Å; I383-Q572 HydrophobicContact CG2-CG 4.47Å; L568-Q572 VanDerWaalsContact CG-NE2 3.33Å; L568-Q572 VanDerWaalsContact O-CG 3.27Å; L568-Q572 WeakPolarHBondContact O-CG 3.16Å; L568-Q572 PolarHBondContact O-N 3.22Å; M569-Q572 WeakPolarHBondContact O-CB 3.45Å; M569-Q572 PolarHBondContact O-N 3.49Å; R570-Q572 VanDerWaalsContact C-N 3.25Å; R570-Q572 PolarHBondContact O-N 3.48Å; Q572-N574 VanDerWaalsContact C-N 3.32Å; Q572-N574 PolarHBondContact O-N 3.28Å; Q572-Y575 PolarHBondContact O-N 3.28Å; Q572-Y575 VanDerWaalsContact O-N 3.07Å; Q572-C576 PolarHBondContact O-N 3.16Å; Q572-C576 PolarHBondContact O-SG 3.37Å; Q572-L601 HydrophobicContact CG-CD2 4.43Å
573	M	62.2	Low	60.3	Low	82 Å²	82	64.9 Å²	64.9	40%	0.404	34%	0.335	S	S	.	.	H	α-helix	trans	-56.2	-48.3	175.9	-74.2	-176.5	168.1	0	0	111.4	M569 R570 Y575 C576 D577	M569-M573 PolarHBondContact O-N 3.49Å; R570-M573 PolarHBondContact O-N 2.98Å; M573-Y575 PolarHBondContact O-N 3.29Å; M573-C576 PolarHBondContact O-N 3.41Å; M573-C576 VanDerWaalsContact O-N 3.15Å; M573-D577 PolarHBondContact O-N 3.47Å
574	N	60	Low	59.1	Low	95 Å²	95	63.1 Å²	63.1	51%	0.508	34%	0.339	S	S	.	.	H	α-helix	trans	-58.2	-36.5	177.2	-68.4	-9.2	0	0	0	112.3	R570 S571 Q572 S578	R570-N574 VanDerWaalsContact O-CG 3.3Å; R570-N574 PolarHBondContact O-N 3.34Å; R570-N574 VanDerWaalsContact O-N 3.11Å; S571-N574 PolarHBondContact O-N 3.38Å; Q572-N574 VanDerWaalsContact C-N 3.32Å; Q572-N574 PolarHBondContact O-N 3.28Å; N574-S578 PolarHBondContact O-N 2.93Å
575	Y	61.6	Low	58.2	Low	34 Å²	34	64.5 Å²	64.5	13%	0.133	35%	0.346	C	S	.	.	H	α-helix	trans	-75.9	-35.9	178.2	-68	-56	0	0	0	113	S571 Q572 M573 D577 S578 W579 L593 V597 L601	S571-Y575 WeakPolarHBondContact O-CD2 3.26Å; S571-Y575 PolarHBondContact O-N 3.38Å; S571-Y575 VanDerWaalsContact O-N 3.09Å; S571-Y575 WeakPolarHBondContact OG-CE2 3.18Å; Q572-Y575 PolarHBondContact O-N 3.28Å; Q572-Y575 VanDerWaalsContact O-N 3.07Å; M573-Y575 PolarHBondContact O-N 3.29Å; Y575-D577 VanDerWaalsContact C-N 3.31Å; Y575-S578 WeakPolarHBondContact CA-OG 3.19Å; Y575-S578 PolarHBondContact O-N 3.48Å; Y575-S578 PolarHBondContact O-OG 2.99Å; Y575-W579 PolarHBondContact O-N 3Å; Y575-W579 VanDerWaalsContact O-N 3.07Å; Y575-L593 HydrophobicContact CD1-CD1 4.48Å; Y575-V597 HydrophobicContact CD1-CG2 3.4Å; Y575-V597 VanDerWaalsContact CD1-CG2 3.4Å; Y575-V597 HydrophobicContact CD2-CG1 4.46Å; Y575-V597 HydrophobicContact CD2-CG2 3.84Å; Y575-V597 HydrophobicContact CE1-CG2 3.64Å; Y575-V597 HydrophobicContact CE2-CG2 4.05Å; Y575-V597 HydrophobicContact CG-CG2 3.53Å; Y575-L601 HydrophobicContact CE2-CD1 4.48Å
576	C	61.3	Low	57.2	Low	20 Å²	20	71.7 Å²	71.7	14%	0.135	38%	0.381	C	S	.	.	H	α-helix	trans	-63.2	-38.4	173.5	-67.3	0	0	0	0	111.7	C384 Q572 M573 S578 W579	C384-C576 WeakPolarHBondContact CA-SG 3.49Å; C384-C576 HydrophobicContact CB-CB 3.65Å; C384-C576 WeakPolarHBondContact CB-SG 3.25Å; C384-C576 WeakPolarHBondContact SG-CA 3.39Å; C384-C576 WeakPolarHBondContact SG-CB 3.37Å; C384-C576 CovalentContact SG-SG 2.04Å; C384-C576 PolarHBondContact SG-SG 3.31Å; Q572-C576 PolarHBondContact O-N 3.16Å; Q572-C576 PolarHBondContact O-SG 3.37Å; M573-C576 PolarHBondContact O-N 3.41Å; M573-C576 VanDerWaalsContact O-N 3.15Å; C576-S578 VanDerWaalsContact C-N 3.27Å; C576-S578 PolarHBondContact O-N 3.37Å; C576-W579 PolarHBondContact O-N 3.19Å
577	D	59.2	Low	56.6	Low	134 Å²	134	74.4 Å²	74.4	72%	0.717	38%	0.383	S	S	*	.	H	α-helix	trans	-64.8	-32.2	174.3	-67.8	-21	0	0	0	112.3	M573 Y575	M573-D577 PolarHBondContact O-N 3.47Å; Y575-D577 VanDerWaalsContact C-N 3.31Å
578	S	58.6	Low	56	Low	61 Å²	61	74.4 Å²	74.4	43%	0.427	39%	0.39	S	S	.	.	H	α-helix	trans	-82.4	-14.1	177.6	64.4	0	0	0	0	114.4	N574 Y575 C576	N574-S578 PolarHBondContact O-N 2.93Å; Y575-S578 WeakPolarHBondContact CA-OG 3.19Å; Y575-S578 PolarHBondContact O-N 3.48Å; Y575-S578 PolarHBondContact O-OG 2.99Å; C576-S578 VanDerWaalsContact C-N 3.27Å; C576-S578 PolarHBondContact O-N 3.37Å
579	W	56.8	Low	55.5	Low	29 Å²	29	77.6 Å²	77.6	11%	0.11	41%	0.407	C	S	.	.			trans	-87.7	114.6	-177.4	-166	-46.4	0	0	0	110.3	F380 Y575 C576 F581 L585 F594	F380-W579 HydrophobicContact CB-CH2 4.04Å; F380-W579 HydrophobicContact CB-CZ3 3.86Å; F380-W579 AromaticContact CD1-CD2 3.92Å; F380-W579 HydrophobicContact CD1-CD2 3.92Å; F380-W579 AromaticContact CD1-CE3 3.07Å; F380-W579 HydrophobicContact CD1-CE3 3.07Å; F380-W579 AromaticContact CD1-CH2 3.81Å; F380-W579 HydrophobicContact CD1-CH2 3.81Å; F380-W579 AromaticContact CD1-CZ3 2.98Å; F380-W579 HydrophobicContact CD1-CZ3 2.98Å; F380-W579 AromaticContact CD2-CZ3 3.99Å; F380-W579 HydrophobicContact CD2-CZ3 3.99Å; F380-W579 HydrophobicContact CE1-CB 4.49Å; F380-W579 AromaticContact CE1-CD2 3.93Å; F380-W579 HydrophobicContact CE1-CD2 3.93Å; F380-W579 AromaticContact CE1-CE3 3.02Å; F380-W579 HydrophobicContact CE1-CE3 3.02Å; F380-W579 AromaticContact CE1-CZ3 3.4Å; F380-W579 HydrophobicContact CE1-CZ3 3.4Å; F380-W579 HydrophobicContact CE2-CZ3 4.35Å; F380-W579 AromaticContact CG-CE3 3.89Å; F380-W579 HydrophobicContact CG-CE3 3.89Å; F380-W579 AromaticContact CG-CH2 3.99Å; F380-W579 HydrophobicContact CG-CH2 3.99Å; F380-W579 AromaticContact CG-CZ3 3.3Å; F380-W579 HydrophobicContact CG-CZ3 3.3Å; F380-W579 AromaticContact CZ-CE3 3.84Å; F380-W579 HydrophobicContact CZ-CE3 3.84Å; F380-W579 HydrophobicContact CZ-CZ3 4.07Å; Y575-W579 PolarHBondContact O-N 3Å; Y575-W579 VanDerWaalsContact O-N 3.07Å; C576-W579 PolarHBondContact O-N 3.19Å; W579-F581 PolarHBondContact O-N 3.47Å; W579-L585 HydrophobicContact CZ2-CD1 4.44Å; W579-F594 AromaticContact CH2-CD2 3.79Å; W579-F594 HydrophobicContact CH2-CD2 3.79Å; W579-F594 HydrophobicContact CH2-CE2 4.38Å; W579-F594 AromaticContact CZ3-CD2 3.82Å; W579-F594 HydrophobicContact CZ3-CD2 3.82Å
580	N	54	Low	55	Low	67 Å²	67	77.2 Å²	77.2	36%	0.358	41%	0.405	S	S	.	.			trans	-82.9	99.8	173.2	-166	1.2	0	0	0	110.9	N582 Q583	N580-N582 PolarHBondContact O-N 3.48Å; N580-N582 VanDerWaalsContact O-N 3.08Å; N580-N582 PolarHBondContact OD1-N 3.41Å; N580-Q583 PolarHBondContact ND2-OE1 3.26Å; N580-Q583 PolarHBondContact O-N 2.73Å
581	F	53.2	Low	54.4	Low	85 Å²	85	72.7 Å²	72.7	37%	0.373	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-16.1	179.6	-71.4	-78	0	0	0	114.2	Y381 C384 W579	Y381-F581 AromaticContact CD2-CD1 3.6Å; Y381-F581 HydrophobicContact CD2-CD1 3.6Å; Y381-F581 AromaticContact CD2-CE1 3.44Å; Y381-F581 HydrophobicContact CD2-CE1 3.44Å; Y381-F581 VanDerWaalsContact CD2-CE1 3.44Å; Y381-F581 AromaticContact CE2-CD1 3.66Å; Y381-F581 HydrophobicContact CE2-CD1 3.66Å; Y381-F581 AromaticContact CE2-CE1 3.85Å; Y381-F581 HydrophobicContact CE2-CE1 3.85Å; Y381-F581 HydrophobicContact CG-CE1 4.27Å; C384-F581 HydrophobicContact CB-CE2 4.23Å; C384-F581 HydrophobicContact CB-CZ 3.57Å; W579-F581 PolarHBondContact O-N 3.47Å
582	N	50.5	Low	54.1	Low	154 Å²	154	77.6 Å²	77.6	82%	0.824	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-18.1	-177.5	-65.1	-19.2	0	0	0	113.7	N580	N580-N582 PolarHBondContact O-N 3.48Å; N580-N582 VanDerWaalsContact O-N 3.08Å; N580-N582 PolarHBondContact OD1-N 3.41Å
583	Q	46.8	Very low	53.7	Low	91 Å²	91	78.9 Å²	78.9	43%	0.425	42%	0.418	S	S	.	.	S	Bend	trans	-87.4	139	177.9	-85.9	170.9	-28.2	0	0	111.2	N580 L585	N580-Q583 PolarHBondContact ND2-OE1 3.26Å; N580-Q583 PolarHBondContact O-N 2.73Å; Q583-L585 PolarHBondContact O-N 3.15Å
584	G	44.7	Very low	53.3	Low	52 Å²	52	75.8 Å²	75.8	54%	0.536	40%	0.403	S	S	.	.			trans	-57.7	136	175.5	0	0	0	0	0	111.3	H586 E587	G584-H586 PolarHBondContact O-N 3.27Å; G584-E587 PolarHBondContact O-N 3.17Å
585	L	47.6	Very low	53	Low	54 Å²	54	77.8 Å²	77.8	28%	0.283	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-7.3	-173.7	-137.5	141.5	0	0	0	114.3	F373 K377 W579 Q583	F373-L585 HydrophobicContact CE1-CD2 4.23Å; F373-L585 HydrophobicContact CZ-CD2 4.32Å; K377-L585 HydrophobicContact CD-CD1 3.85Å; K377-L585 HydrophobicContact CD-CD2 3.81Å; K377-L585 HydrophobicContact CD-CG 4.49Å; K377-L585 VanDerWaalsContact CE-CD2 3.4Å; K377-L585 HydrophobicContact CG-CD1 4.24Å; K377-L585 HydrophobicContact CG-CD2 4.15Å; W579-L585 HydrophobicContact CZ2-CD1 4.44Å; Q583-L585 PolarHBondContact O-N 3.15Å
586	H	44.3	Very low	52.6	Low	180 Å²	180	80 Å²	80	83%	0.833	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-1.8	179.7	-71.1	-61.8	0	0	0	114.1	G584	G584-H586 PolarHBondContact O-N 3.27Å
587	E	52.1	Low	52.2	Low	95 Å²	95	79.2 Å²	79.2	44%	0.444	42%	0.417	S	S	.	.	S	Bend	trans	-72.8	134.8	171.4	-73.9	-178.2	166.4	0	0	110.9	G584 D589 N590 M591	G584-E587 PolarHBondContact O-N 3.17Å; E587-D589 PolarHBondContact O-N 2.92Å; E587-N590 PolarHBondContact O-N 3.28Å; E587-M591 PolarHBondContact O-N 3.42Å
588	S	51.9	Low	51.8	Low	85 Å²	85	76.3 Å²	76.3	59%	0.594	40%	0.399	S	S	*	.	H	α-helix	trans	-52.2	-38	-177	47.5	0	0	0	0	113.2	N590 M591 E592	S588-N590 VanDerWaalsContact C-N 3.33Å; S588-N590 PolarHBondContact O-N 3.02Å; S588-M591 PolarHBondContact O-N 3.44Å; S588-E592 PolarHBondContact O-N 2.85Å
589	D	53.2	Low	51.5	Low	79 Å²	79	79.3 Å²	79.3	42%	0.422	41%	0.407	S	S	.	.	H	α-helix	trans	-65.6	-36.6	-174.6	-64.9	13	0	0	0	111.3	K62 E587 L593	K62-D589 IonicContact NZ-OD2 3.97Å; K62-D589 PolarHBondContact NZ-OD2 3.39Å; E587-D589 PolarHBondContact O-N 2.92Å; D589-L593 WeakPolarHBondContact O-CB 3.44Å; D589-L593 PolarHBondContact O-N 3.31Å
590	N	52	Low	51.3	Low	14 Å²	14	82 Å²	82	8%	0.075	42%	0.42	C	S	.	.	H	α-helix	trans	-73.1	-33.4	176.7	-72.7	-27.6	0	0	0	112.1	E587 S588 F594	E587-N590 PolarHBondContact O-N 3.28Å; S588-N590 VanDerWaalsContact C-N 3.33Å; S588-N590 PolarHBondContact O-N 3.02Å; N590-F594 WeakPolarHBondContact O-CB 3.36Å; N590-F594 PolarHBondContact O-N 3.37Å
591	M	50.1	Low	51.2	Low	76 Å²	76	79.9 Å²	79.9	37%	0.374	41%	0.409	S	S	.	.	H	α-helix	trans	-70.5	-41.8	176.1	-71.5	-64.8	-56.2	0	0	112	F373 E587 S588 F594 Q595	F373-M591 HydrophobicContact CE1-CE 4.09Å; F373-M591 HydrophobicContact CE1-SD 3.88Å; F373-M591 HydrophobicContact CE2-CE 3.83Å; F373-M591 HydrophobicContact CE2-SD 4.24Å; F373-M591 HydrophobicContact CZ-CE 3.44Å; F373-M591 VanDerWaalsContact CZ-CE 3.44Å; F373-M591 HydrophobicContact CZ-SD 3.32Å; F373-M591 WeakPolarHBondContact CZ-SD 3.17Å; E587-M591 PolarHBondContact O-N 3.42Å; S588-M591 PolarHBondContact O-N 3.44Å; M591-F594 PolarHBondContact O-N 3.49Å; M591-Q595 WeakPolarHBondContact O-CB 3.41Å; M591-Q595 PolarHBondContact O-N 3.45Å
592	E	54.5	Low	50.9	Low	138 Å²	138	79.4 Å²	79.4	65%	0.645	41%	0.407	S	S	*	.	H	α-helix	trans	-67.5	-45.1	177.4	-170.5	175.2	-174.6	0	0	111	S588 F594 Q595 L596	S588-E592 PolarHBondContact O-N 2.85Å; E592-F594 VanDerWaalsContact C-N 3.33Å; E592-F594 PolarHBondContact O-N 3.43Å; E592-Q595 PolarHBondContact O-N 2.8Å; E592-L596 WeakPolarHBondContact O-CB 2.84Å; E592-L596 PolarHBondContact O-N 3.42Å
593	L	54.1	Low	50.8	Low	32 Å²	32	76 Å²	76	17%	0.168	39%	0.388	C	S	.	.	H	α-helix	trans	-58.7	-45.4	172.6	-174.4	67.8	0	0	0	111	Y575 D589 Q595 L596 V597	Y575-L593 HydrophobicContact CD1-CD1 4.48Å; D589-L593 WeakPolarHBondContact O-CB 3.44Å; D589-L593 PolarHBondContact O-N 3.31Å; L593-Q595 PolarHBondContact O-N 3.26Å; L593-L596 PolarHBondContact O-N 2.83Å; L593-V597 HydrophobicContact CG-CG2 4.43Å; L593-V597 VanDerWaalsContact O-CB 3.26Å; L593-V597 WeakPolarHBondContact O-CB 3.38Å; L593-V597 WeakPolarHBondContact O-CG2 3.37Å; L593-V597 PolarHBondContact O-N 3.26Å
594	F	52.8	Low	51.2	Low	17 Å²	17	72.8 Å²	72.8	8%	0.075	38%	0.376	C	S	.	.	H	α-helix	trans	-61.8	-40.7	176.9	-178.7	-87.6	0	0	0	112.7	F373 Q376 W579 N590 M591 E592 V597 H598	F373-F594 HydrophobicContact CD2-CD1 4.49Å; F373-F594 AromaticContact CD2-CE1 3.89Å; F373-F594 HydrophobicContact CD2-CE1 3.89Å; F373-F594 HydrophobicContact CD2-CZ 4.38Å; F373-F594 AromaticContact CE2-CD1 3.61Å; F373-F594 HydrophobicContact CE2-CD1 3.61Å; F373-F594 AromaticContact CE2-CE1 3.42Å; F373-F594 HydrophobicContact CE2-CE1 3.42Å; F373-F594 VanDerWaalsContact CE2-CE1 3.42Å; F373-F594 HydrophobicContact CE2-CG 4.38Å; F373-F594 HydrophobicContact CE2-CZ 4.06Å; F373-F594 HydrophobicContact CZ-CD1 4.38Å; F373-F594 HydrophobicContact CZ-CE1 4.46Å; Q376-F594 HydrophobicContact CB-CE2 4.42Å; Q376-F594 HydrophobicContact CB-CZ 3.7Å; W579-F594 AromaticContact CH2-CD2 3.79Å; W579-F594 HydrophobicContact CH2-CD2 3.79Å; W579-F594 HydrophobicContact CH2-CE2 4.38Å; W579-F594 AromaticContact CZ3-CD2 3.82Å; W579-F594 HydrophobicContact CZ3-CD2 3.82Å; N590-F594 WeakPolarHBondContact O-CB 3.36Å; N590-F594 PolarHBondContact O-N 3.37Å; M591-F594 PolarHBondContact O-N 3.49Å; E592-F594 VanDerWaalsContact C-N 3.33Å; E592-F594 PolarHBondContact O-N 3.43Å; F594-V597 WeakPolarHBondContact O-CB 3.42Å; F594-V597 PolarHBondContact O-N 2.87Å; F594-H598 WeakPolarHBondContact O-CB 3.45Å; F594-H598 PolarHBondContact O-N 3.14Å
595	Q	53.3	Low	51.6	Low	136 Å²	136	71.8 Å²	71.8	64%	0.636	36%	0.357	S	S	*	.	H	α-helix	trans	-66.3	-43	177.2	-172.2	172.1	-13	0	0	111.2	M591 E592 L593 V597 H598 E599	M591-Q595 WeakPolarHBondContact O-CB 3.41Å; M591-Q595 PolarHBondContact O-N 3.45Å; E592-Q595 PolarHBondContact O-N 2.8Å; L593-Q595 PolarHBondContact O-N 3.26Å; Q595-V597 VanDerWaalsContact C-N 3.34Å; Q595-V597 PolarHBondContact O-N 3.26Å; Q595-H598 PolarHBondContact O-N 2.93Å; Q595-E599 PolarHBondContact O-N 2.94Å
596	L	53.4	Low	52.1	Low	80 Å²	80	72.3 Å²	72.3	42%	0.419	36%	0.358	S	S	.	.	H	α-helix	trans	-61	-44	175.3	-160.6	101.4	0	0	0	111.1	E592 L593 E599 H600	E592-L596 WeakPolarHBondContact O-CB 2.84Å; E592-L596 PolarHBondContact O-N 3.42Å; L593-L596 PolarHBondContact O-N 2.83Å; L596-E599 PolarHBondContact O-N 2.89Å; L596-H600 WeakPolarHBondContact O-CB 3.08Å; L596-H600 PolarHBondContact O-N 2.98Å; L596-H600 PolarHBondContact O-ND1 3.18Å
597	V	54	Low	53	Low	4 Å²	4	69.4 Å²	69.4	2%	0.024	34%	0.34	C	S	.	.	H	α-helix	trans	-59.5	-49.2	173.9	163.7	0	0	0	0	110.6	F380 Y575 L593 F594 Q595 E599 H600 L601	F380-V597 HydrophobicContact CD2-CG1 4.03Å; F380-V597 HydrophobicContact CE2-CG1 3.37Å; F380-V597 HydrophobicContact CZ-CG1 4.16Å; Y575-V597 HydrophobicContact CD1-CG2 3.4Å; Y575-V597 VanDerWaalsContact CD1-CG2 3.4Å; Y575-V597 HydrophobicContact CD2-CG1 4.46Å; Y575-V597 HydrophobicContact CD2-CG2 3.84Å; Y575-V597 HydrophobicContact CE1-CG2 3.64Å; Y575-V597 HydrophobicContact CE2-CG2 4.05Å; Y575-V597 HydrophobicContact CG-CG2 3.53Å; L593-V597 HydrophobicContact CG-CG2 4.43Å; L593-V597 VanDerWaalsContact O-CB 3.26Å; L593-V597 WeakPolarHBondContact O-CB 3.38Å; L593-V597 WeakPolarHBondContact O-CG2 3.37Å; L593-V597 PolarHBondContact O-N 3.26Å; F594-V597 WeakPolarHBondContact O-CB 3.42Å; F594-V597 PolarHBondContact O-N 2.87Å; Q595-V597 VanDerWaalsContact C-N 3.34Å; Q595-V597 PolarHBondContact O-N 3.26Å; V597-E599 VanDerWaalsContact C-N 3.31Å; V597-E599 PolarHBondContact O-N 3.4Å; V597-H600 PolarHBondContact O-N 3.45Å; V597-L601 HydrophobicContact CB-CD1 4.39Å; V597-L601 HydrophobicContact CG1-CD1 3.43Å; V597-L601 VanDerWaalsContact CG1-CD1 3.43Å; V597-L601 WeakPolarHBondContact O-CB 3.26Å; V597-L601 WeakPolarHBondContact O-CD1 3.46Å; V597-L601 PolarHBondContact O-N 3.46Å
598	H	50.4	Low	53.5	Low	74 Å²	74	65.1 Å²	65.1	34%	0.343	32%	0.32	S	S	.	.	H	α-helix	trans	-60.5	-41	179.9	-171.7	60.9	0	0	0	112.1	F594 Q595 H602	F594-H598 WeakPolarHBondContact O-CB 3.45Å; F594-H598 PolarHBondContact O-N 3.14Å; Q595-H598 PolarHBondContact O-N 2.93Å; H598-H602 AromaticContact CD2-CD2 3.93Å; H598-H602 AromaticContact CE1-CD2 3.48Å; H598-H602 PolarHBondContact CE1-CD2 2.94Å; H598-H602 VanDerWaalsContact CE1-CD2 3.48Å; H598-H602 AromaticContact CE1-NE2 3.26Å; H598-H602 PolarHBondContact CE1-NE2 2.89Å; H598-H602 VanDerWaalsContact CE1-NE2 3.26Å; H598-H602 AromaticContact ND1-CD2 3.94Å; H598-H602 AromaticContact NE2-CD2 3.47Å; H598-H602 PolarHBondContact NE2-CD2 3.45Å; H598-H602 AromaticContact NE2-NE2 3.37Å; H598-H602 PolarHBondContact NE2-NE2 2.89Å; H598-H602 PolarHBondContact O-CD2 3.24Å; H598-H602 PolarHBondContact O-N 2.81Å; H598-H602 VanDerWaalsContact O-N 3.14Å
599	E	52.7	Low	53.9	Low	124 Å²	124	62.1 Å²	62.1	58%	0.579	30%	0.297	S	S	*	.	H	α-helix	trans	-66.9	-44.2	176.8	-165.6	168.6	-168.5	0	0	111.8	Q595 L596 V597 L601 H602	Q595-E599 PolarHBondContact O-N 2.94Å; L596-E599 PolarHBondContact O-N 2.89Å; V597-E599 VanDerWaalsContact C-N 3.31Å; V597-E599 PolarHBondContact O-N 3.4Å; E599-L601 PolarHBondContact O-N 2.95Å; E599-H602 PolarHBondContact O-N 3.44Å
600	H	51.8	Low	54.3	Low	85 Å²	85	59 Å²	59	39%	0.394	28%	0.283	S	S	.	.	H	α-helix	trans	-72	-25.2	177.7	-75.4	78.9	0	0	0	113.9	L596 V597 P604	L596-H600 WeakPolarHBondContact O-CB 3.08Å; L596-H600 PolarHBondContact O-N 2.98Å; L596-H600 PolarHBondContact O-ND1 3.18Å; V597-H600 PolarHBondContact O-N 3.45Å; H600-P604 WeakPolarHBondContact O-CD 3.15Å; H600-P604 WeakPolarHBondContact O-CG 3.32Å
601	L	50.9	Low	54.9	Low	22 Å²	22	58.7 Å²	58.7	12%	0.115	28%	0.282	C	S	.	.	H	α-helix	trans	-79.4	-26.9	172.4	-89.9	93.1	0	0	0	112.6	F365 L568 Q572 Y575 V597 E599 P604 H605	F365-L601 HydrophobicContact CE1-CD2 4.26Å; L568-L601 HydrophobicContact CD1-CD2 4.3Å; L568-L601 HydrophobicContact CD1-CG 4.06Å; Q572-L601 HydrophobicContact CG-CD2 4.43Å; Y575-L601 HydrophobicContact CE2-CD1 4.48Å; V597-L601 HydrophobicContact CB-CD1 4.39Å; V597-L601 HydrophobicContact CG1-CD1 3.43Å; V597-L601 VanDerWaalsContact CG1-CD1 3.43Å; V597-L601 WeakPolarHBondContact O-CB 3.26Å; V597-L601 WeakPolarHBondContact O-CD1 3.46Å; V597-L601 PolarHBondContact O-N 3.46Å; E599-L601 PolarHBondContact O-N 2.95Å; L601-P604 WeakPolarHBondContact O-CD 3.34Å; L601-P604 WeakPolarHBondContact O-CG 3.46Å; L601-H605 PolarHBondContact O-N 3.47Å
602	H	47.7	Very low	55.6	Low	75 Å²	75	56.5 Å²	56.5	35%	0.347	27%	0.272	S	S	.	.	H	α-helix	trans	-69.9	-35.2	177.7	-101.4	-64.3	0	0	0	113.1	H598 E599 H605 Q606	H598-H602 AromaticContact CD2-CD2 3.93Å; H598-H602 AromaticContact CE1-CD2 3.48Å; H598-H602 PolarHBondContact CE1-CD2 2.94Å; H598-H602 VanDerWaalsContact CE1-CD2 3.48Å; H598-H602 AromaticContact CE1-NE2 3.26Å; H598-H602 PolarHBondContact CE1-NE2 2.89Å; H598-H602 VanDerWaalsContact CE1-NE2 3.26Å; H598-H602 AromaticContact ND1-CD2 3.94Å; H598-H602 AromaticContact NE2-CD2 3.47Å; H598-H602 PolarHBondContact NE2-CD2 3.45Å; H598-H602 AromaticContact NE2-NE2 3.37Å; H598-H602 PolarHBondContact NE2-NE2 2.89Å; H598-H602 PolarHBondContact O-CD2 3.24Å; H598-H602 PolarHBondContact O-N 2.81Å; H598-H602 VanDerWaalsContact O-N 3.14Å; E599-H602 PolarHBondContact O-N 3.44Å; H602-H605 PolarHBondContact O-N 2.66Å; H602-Q606 PolarHBondContact O-N 3.45Å
603	I	48.4	Very low	55.9	Low	82 Å²	82	50.8 Å²	50.8	42%	0.421	25%	0.246	S	C	.	.	H	α-helix	trans	-58.8	-55.7	177.4	-63.9	167.5	0	0	0	112.6	H605 Q606 Y607	I603-H605 VanDerWaalsContact C-N 3.25Å; I603-H605 PolarHBondContact O-N 3.44Å; I603-Q606 PolarHBondContact O-N 2.99Å; I603-Q606 VanDerWaalsContact O-N 3.16Å; I603-Y607 HydrophobicContact CG2-CD2 4.18Å; I603-Y607 HydrophobicContact CG2-CE2 3.62Å; I603-Y607 WeakPolarHBondContact O-CD2 3.24Å; I603-Y607 PolarHBondContact O-N 3.08Å
604	P	54.9	Low	56.4	Low	25 Å²	25	52.8 Å²	52.8	16%	0.162	26%	0.255	C	S	.	.	H	α-helix	trans	-63.2	-29.6	176.7	23.8	-31.9	0	0	0	112.5	I564 L568 H600 L601 Y607 L608	I564-P604 HydrophobicContact CG2-CB 4.25Å; L568-P604 HydrophobicContact CD1-CB 4.25Å; L568-P604 HydrophobicContact CD1-CG 3.69Å; H600-P604 WeakPolarHBondContact O-CD 3.15Å; H600-P604 WeakPolarHBondContact O-CG 3.32Å; L601-P604 WeakPolarHBondContact O-CD 3.34Å; L601-P604 WeakPolarHBondContact O-CG 3.46Å; P604-Y607 PolarHBondContact O-N 3.48Å; P604-L608 PolarHBondContact O-N 2.81Å
605	H	53.2	Low	57.1	Low	30 Å²	30	52.5 Å²	52.5	14%	0.139	25%	0.254	C	S	.	.	H	α-helix	trans	-63.8	-40.1	174.2	-169.3	-10.4	0	0	0	112	L601 H602 I603 Y607 L608 Q609	L601-H605 PolarHBondContact O-N 3.47Å; H602-H605 PolarHBondContact O-N 2.66Å; I603-H605 VanDerWaalsContact C-N 3.25Å; I603-H605 PolarHBondContact O-N 3.44Å; H605-Y607 VanDerWaalsContact C-N 3.32Å; H605-Y607 PolarHBondContact O-N 2.77Å; H605-L608 WeakPolarHBondContact O-CB 3.49Å; H605-L608 PolarHBondContact O-N 2.98Å; H605-Q609 PolarHBondContact CE1-NE2 3.43Å; H605-Q609 PolarHBondContact O-N 3.02Å
606	Q	58.6	Low	57.5	Low	65 Å²	65	46 Å²	46	30%	0.304	22%	0.224	S	C	.	.	H	α-helix	trans	-61.9	-40.6	175.4	-68.1	178.3	12.1	0	0	111.6	S151 H602 I603 L608 Q609 G610	S151-Q606 PolarHBondContact OG-NE2 3.11Å; S151-Q606 VanDerWaalsContact OG-NE2 3.11Å; H602-Q606 PolarHBondContact O-N 3.45Å; I603-Q606 PolarHBondContact O-N 2.99Å; I603-Q606 VanDerWaalsContact O-N 3.16Å; Q606-L608 VanDerWaalsContact C-N 3.34Å; Q606-L608 PolarHBondContact O-N 3.11Å; Q606-Q609 PolarHBondContact O-N 2.89Å; Q606-G610 PolarHBondContact O-N 3.45Å
607	Y	63.9	Low	58	Low	119 Å²	119	46 Å²	46	47%	0.467	22%	0.221	S	C	.	.	H	α-helix	trans	-65	-37.2	175	-67.7	-70	0	0	0	112.5	I603 P604 H605 G610 C611	I603-Y607 HydrophobicContact CG2-CD2 4.18Å; I603-Y607 HydrophobicContact CG2-CE2 3.62Å; I603-Y607 WeakPolarHBondContact O-CD2 3.24Å; I603-Y607 PolarHBondContact O-N 3.08Å; P604-Y607 PolarHBondContact O-N 3.48Å; H605-Y607 VanDerWaalsContact C-N 3.32Å; H605-Y607 PolarHBondContact O-N 2.77Å; Y607-G610 PolarHBondContact O-N 3.37Å; Y607-C611 PolarHBondContact O-N 3.25Å; Y607-C611 PolarHBondContact O-SG 2.99Å
608	L	61	Low	58.5	Low	5 Å²	5	46.6 Å²	46.6	3%	0.026	22%	0.223	C	C	.	.	H	α-helix	trans	-64.1	-44.2	174.2	-176.2	67.8	0	0	0	111.7	E366 R561 Y565 P604 H605 Q606 G610 C611 I612	E366-L608 HydrophobicContact CG-CD2 4.24Å; E366-L608 WeakPolarHBondContact OE1-CD2 3.48Å; R561-L608 HydrophobicContact CG-CD1 3.59Å; Y565-L608 HydrophobicContact CD2-CD1 4.32Å; Y565-L608 HydrophobicContact CE1-CD1 4.42Å; Y565-L608 HydrophobicContact CE1-CD2 4.16Å; Y565-L608 HydrophobicContact CE2-CD1 3.55Å; Y565-L608 WeakPolarHBondContact OH-CD2 3.47Å; P604-L608 PolarHBondContact O-N 2.81Å; H605-L608 WeakPolarHBondContact O-CB 3.49Å; H605-L608 PolarHBondContact O-N 2.98Å; Q606-L608 VanDerWaalsContact C-N 3.34Å; Q606-L608 PolarHBondContact O-N 3.11Å; L608-G610 VanDerWaalsContact C-N 3.27Å; L608-G610 PolarHBondContact O-N 3.03Å; L608-C611 WeakPolarHBondContact O-CB 3.4Å; L608-C611 PolarHBondContact O-N 3.05Å; L608-C611 VanDerWaalsContact O-N 3.13Å; L608-I612 PolarHBondContact O-N 3.45Å; L608-I612 VanDerWaalsContact O-N 3.08Å
609	Q	60.7	Low	59	Low	22 Å²	22	43.5 Å²	43.5	10%	0.103	21%	0.209	C	C	.	.	H	α-helix	trans	-60.9	-37.7	173.4	-76.1	-178	-13.4	0	0	111.9	Q159 H605 Q606 I612 L613	Q159-Q609 PolarHBondContact NE2-O 3.27Å; H605-Q609 PolarHBondContact CE1-NE2 3.43Å; H605-Q609 PolarHBondContact O-N 3.02Å; Q606-Q609 PolarHBondContact O-N 2.89Å; Q609-I612 PolarHBondContact O-N 3.17Å; Q609-L613 PolarHBondContact O-N 3.44Å
610	G	61.8	Low	59.4	Low	13 Å²	13	37.7 Å²	37.7	13%	0.134	18%	0.182	C	C	.	.	H	α-helix	trans	-63.5	-40.5	171.8	0	0	0	0	0	113	Q606 Y607 L608 I612 L613 M614	Q606-G610 PolarHBondContact O-N 3.45Å; Y607-G610 PolarHBondContact O-N 3.37Å; L608-G610 VanDerWaalsContact C-N 3.27Å; L608-G610 PolarHBondContact O-N 3.03Å; G610-I612 PolarHBondContact O-N 3.36Å; G610-L613 WeakPolarHBondContact O-CB 3.35Å; G610-L613 PolarHBondContact O-N 3Å; G610-M614 WeakPolarHBondContact O-CG 3.42Å; G610-M614 PolarHBondContact O-N 3.15Å
611	C	65	Low	59.9	Low	8 Å²	8	36.6 Å²	36.6	5%	0.054	18%	0.177	C	C	.	.	H	α-helix	trans	-64.3	-38.7	176.2	-66.2	0	0	0	0	112.2	N557 R561 Y607 L608 M614 E615	N557-C611 PolarHBondContact ND2-O 2.96Å; N557-C611 PolarHBondContact OD1-O 3.45Å; R561-C611 HydrophobicContact CG-CB 4.47Å; Y607-C611 PolarHBondContact O-N 3.25Å; Y607-C611 PolarHBondContact O-SG 2.99Å; L608-C611 WeakPolarHBondContact O-CB 3.4Å; L608-C611 PolarHBondContact O-N 3.05Å; L608-C611 VanDerWaalsContact O-N 3.13Å; C611-M614 PolarHBondContact O-N 2.9Å; C611-E615 WeakPolarHBondContact O-CB 3.42Å; C611-E615 PolarHBondContact O-N 3Å
612	I	64.6	Low	60.4	Low	31 Å²	31	36.7 Å²	36.7	16%	0.159	18%	0.178	C	C	.	.	H	α-helix	trans	-66	-41.7	174.2	-67.4	164.2	0	0	0	110.4	E366 L608 Q609 G610 M614 E615 I616	E366-I612 WeakPolarHBondContact OE1-CD1 3.33Å; L608-I612 PolarHBondContact O-N 3.45Å; L608-I612 VanDerWaalsContact O-N 3.08Å; Q609-I612 PolarHBondContact O-N 3.17Å; G610-I612 PolarHBondContact O-N 3.36Å; I612-M614 VanDerWaalsContact C-N 3.32Å; I612-M614 PolarHBondContact O-N 3.08Å; I612-E615 WeakPolarHBondContact O-CB 3.23Å; I612-E615 PolarHBondContact O-N 3.09Å; I612-I616 HydrophobicContact CG2-CD1 4Å; I612-I616 VanDerWaalsContact O-CG1 3.3Å; I612-I616 WeakPolarHBondContact O-CG1 3.22Å; I612-I616 PolarHBondContact O-N 3.18Å
613	L	61.5	Low	60.9	Low	17 Å²	17	34 Å²	34	9%	0.089	17%	0.167	C	C	.	.	H	α-helix	trans	-60.1	-44.6	174.8	-170.2	79.3	0	0	0	111.4	W155 L158 Q159 F162 Q609 G610 E615 I616 F617	W155-L613 HydrophobicContact CE3-CD2 4.38Å; W155-L613 HydrophobicContact CZ3-CD2 3.8Å; L158-L613 HydrophobicContact CD2-CD2 3.42Å; L158-L613 VanDerWaalsContact CD2-CD2 3.42Å; L158-L613 HydrophobicContact CG-CD1 4.15Å; L158-L613 HydrophobicContact CG-CD2 3.92Å; Q159-L613 HydrophobicContact CB-CD1 4.19Å; Q159-L613 HydrophobicContact CG-CB 4.47Å; Q159-L613 HydrophobicContact CG-CD1 3.75Å; F162-L613 HydrophobicContact CB-CD1 4.07Å; F162-L613 HydrophobicContact CD2-CD1 3.55Å; F162-L613 HydrophobicContact CD2-CG 4.29Å; F162-L613 HydrophobicContact CE2-CD1 4.24Å; F162-L613 HydrophobicContact CE2-CD2 4.41Å; F162-L613 HydrophobicContact CG-CD1 4.03Å; Q609-L613 PolarHBondContact O-N 3.44Å; G610-L613 WeakPolarHBondContact O-CB 3.35Å; G610-L613 PolarHBondContact O-N 3Å; L613-E615 VanDerWaalsContact C-N 3.32Å; L613-E615 PolarHBondContact O-N 3.46Å; L613-I616 PolarHBondContact O-N 3.41Å; L613-F617 WeakPolarHBondContact O-CB 3.47Å; L613-F617 PolarHBondContact O-N 3.41Å
614	M	64.1	Low	61.4	Low	75 Å²	75	32.7 Å²	32.7	37%	0.369	16%	0.161	S	C	.	.	H	α-helix	trans	-64.6	-36.8	176	-72.4	-56.6	-62	0	0	111.9	G610 C611 I612 F617 I618	G610-M614 WeakPolarHBondContact O-CG 3.42Å; G610-M614 PolarHBondContact O-N 3.15Å; C611-M614 PolarHBondContact O-N 2.9Å; I612-M614 VanDerWaalsContact C-N 3.32Å; I612-M614 PolarHBondContact O-N 3.08Å; M614-F617 PolarHBondContact O-N 3.23Å; M614-I618 WeakPolarHBondContact O-CB 3.08Å; M614-I618 WeakPolarHBondContact O-CD1 3.25Å; M614-I618 WeakPolarHBondContact O-CG1 3.28Å; M614-I618 PolarHBondContact O-N 3.06Å
615	E	66.2	Low	61.6	Low	10 Å²	10	34.2 Å²	34.2	5%	0.047	17%	0.167	C	C	.	.	H	α-helix	trans	-60.3	-51.3	173.4	-164.2	173.7	156.5	0	0	110.5	L279 L554 H558 R561 C611 I612 L613 F617 I618 T619	L279-E615 VanDerWaalsContact CD2-OE1 3.32Å; L279-E615 WeakPolarHBondContact CD2-OE1 3.31Å; L554-E615 HydrophobicContact CD2-CG 4.1Å; H558-E615 IonicContact CE1-OE1 3.81Å; H558-E615 IonicContact CE1-OE2 2.63Å; R561-E615 IonicContact NH1-OE2 3.1Å; R561-E615 PolarHBondContact NH1-OE2 3.29Å; C611-E615 WeakPolarHBondContact O-CB 3.42Å; C611-E615 PolarHBondContact O-N 3Å; I612-E615 WeakPolarHBondContact O-CB 3.23Å; I612-E615 PolarHBondContact O-N 3.09Å; L613-E615 VanDerWaalsContact C-N 3.32Å; L613-E615 PolarHBondContact O-N 3.46Å; E615-F617 VanDerWaalsContact C-N 3.28Å; E615-F617 PolarHBondContact O-N 2.93Å; E615-I618 PolarHBondContact O-N 2.99Å; E615-T619 WeakPolarHBondContact O-CG2 3.31Å; E615-T619 PolarHBondContact O-N 3.2Å; E615-T619 PolarHBondContact O-OG1 3.45Å; E615-T619 VanDerWaalsContact O-OG1 3.06Å
616	I	62.7	Low	61.9	Low	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-58.1	-43.3	175.8	-63.6	162.9	0	0	0	110.4	F162 C166 I237 I612 L613 T619 T620	F162-I616 HydrophobicContact CB-CG2 4.11Å; C166-I616 HydrophobicContact CB-CG2 4.34Å; I237-I616 HydrophobicContact CD1-CD1 3.87Å; I237-I616 HydrophobicContact CD1-CG1 3.9Å; I237-I616 HydrophobicContact CG2-CD1 4.14Å; I612-I616 HydrophobicContact CG2-CD1 4Å; I612-I616 VanDerWaalsContact O-CG1 3.3Å; I612-I616 WeakPolarHBondContact O-CG1 3.22Å; I612-I616 PolarHBondContact O-N 3.18Å; L613-I616 PolarHBondContact O-N 3.41Å; I616-T619 WeakPolarHBondContact CA-OG1 3.41Å; I616-T619 PolarHBondContact O-OG1 3.23Å; I616-T619 VanDerWaalsContact O-OG1 3.07Å; I616-T620 WeakPolarHBondContact O-CB 3.34Å; I616-T620 PolarHBondContact O-N 2.92Å; I616-T620 PolarHBondContact O-OG1 3.29Å
617	F	63	Low	61.8	Low	81 Å²	81	32.2 Å²	32.2	36%	0.355	16%	0.159	S	C	.	.	H	α-helix	trans	-61.3	-47.8	178	-175.4	-92.6	0	0	0	111.3	F162 L613 M614 E615 T620 F621	F162-F617 HydrophobicContact CD1-CD2 4.46Å; F162-F617 AromaticContact CE1-CD2 3.76Å; F162-F617 HydrophobicContact CE1-CD2 3.76Å; F162-F617 HydrophobicContact CE1-CE2 4.33Å; F162-F617 HydrophobicContact CZ-CD2 4.34Å; L613-F617 WeakPolarHBondContact O-CB 3.47Å; L613-F617 PolarHBondContact O-N 3.41Å; M614-F617 PolarHBondContact O-N 3.23Å; E615-F617 VanDerWaalsContact C-N 3.28Å; E615-F617 PolarHBondContact O-N 2.93Å; F617-T620 PolarHBondContact O-N 2.7Å; F617-F621 HydrophobicContact CD1-CD2 4.3Å; F617-F621 AromaticContact CD2-CD2 3.29Å; F617-F621 HydrophobicContact CD2-CD2 3.29Å; F617-F621 AromaticContact CD2-CE2 3.39Å; F617-F621 HydrophobicContact CD2-CE2 3.39Å; F617-F621 HydrophobicContact CD2-CG 4.28Å; F617-F621 HydrophobicContact CD2-CZ 4.42Å; F617-F621 HydrophobicContact CE1-CB 4.39Å; F617-F621 HydrophobicContact CE1-CD2 4.27Å; F617-F621 HydrophobicContact CE1-CG 4.43Å; F617-F621 HydrophobicContact CE2-CD1 4.47Å; F617-F621 AromaticContact CE2-CD2 3.25Å; F617-F621 HydrophobicContact CE2-CD2 3.25Å; F617-F621 HydrophobicContact CE2-CE1 4.48Å; F617-F621 AromaticContact CE2-CE2 3.28Å; F617-F621 HydrophobicContact CE2-CE2 3.28Å; F617-F621 AromaticContact CE2-CG 3.89Å; F617-F621 HydrophobicContact CE2-CG 3.89Å; F617-F621 AromaticContact CE2-CZ 3.93Å; F617-F621 HydrophobicContact CE2-CZ 3.93Å; F617-F621 AromaticContact CG-CD2 3.84Å; F617-F621 HydrophobicContact CG-CD2 3.84Å; F617-F621 HydrophobicContact CG-CE2 4.35Å; F617-F621 HydrophobicContact CZ-CB 4.37Å; F617-F621 AromaticContact CZ-CD2 3.77Å; F617-F621 HydrophobicContact CZ-CD2 3.77Å; F617-F621 HydrophobicContact CZ-CE2 4.18Å; F617-F621 AromaticContact CZ-CG 3.97Å; F617-F621 HydrophobicContact CZ-CG 3.97Å; F617-F621 WeakPolarHBondContact O-CB 3.32Å; F617-F621 WeakPolarHBondContact O-CD2 3.33Å; F617-F621 PolarHBondContact O-N 3.44Å
618	I	64.4	Low	61.4	Low	15 Å²	15	29.9 Å²	29.9	8%	0.077	16%	0.157	C	C	.	.	H	α-helix	trans	-64.9	-46.4	179.5	-67.4	161.1	0	0	0	110.6	L550 C553 L554 N557 M614 E615 T620 V622	L550-I618 HydrophobicContact CD1-CG2 3.69Å; C553-I618 HydrophobicContact CB-CD1 4.04Å; C553-I618 HydrophobicContact CB-CG1 4.37Å; C553-I618 HydrophobicContact CB-CG2 4.05Å; L554-I618 HydrophobicContact CD1-CG2 4.31Å; L554-I618 HydrophobicContact CD2-CB 3.96Å; L554-I618 HydrophobicContact CD2-CD1 4.3Å; L554-I618 HydrophobicContact CD2-CG2 3.6Å; L554-I618 HydrophobicContact CG-CG2 3.68Å; N557-I618 HydrophobicContact CB-CD1 4.39Å; M614-I618 WeakPolarHBondContact O-CB 3.08Å; M614-I618 WeakPolarHBondContact O-CD1 3.25Å; M614-I618 WeakPolarHBondContact O-CG1 3.28Å; M614-I618 PolarHBondContact O-N 3.06Å; E615-I618 PolarHBondContact O-N 2.99Å; I618-T620 VanDerWaalsContact C-N 3.25Å; I618-T620 PolarHBondContact O-N 2.69Å; I618-V622 HydrophobicContact CG2-CG2 4.05Å; I618-V622 VanDerWaalsContact O-CB 3.23Å; I618-V622 WeakPolarHBondContact O-CB 3.43Å; I618-V622 WeakPolarHBondContact O-CG2 3.44Å; I618-V622 PolarHBondContact O-N 2.88Å; I618-V622 VanDerWaalsContact O-N 3.15Å
619	T	61.2	Low	61.2	Low	9 Å²	9	33.3 Å²	33.3	6%	0.055	18%	0.175	C	C	.	.	H	α-helix	trans	-67.5	-25.1	179.4	57.6	0	0	0	0	112.9	L554 E615 I616 P623	L554-T619 HydrophobicContact CD2-CG2 4.43Å; E615-T619 WeakPolarHBondContact O-CG2 3.31Å; E615-T619 PolarHBondContact O-N 3.2Å; E615-T619 PolarHBondContact O-OG1 3.45Å; E615-T619 VanDerWaalsContact O-OG1 3.06Å; I616-T619 WeakPolarHBondContact CA-OG1 3.41Å; I616-T619 PolarHBondContact O-OG1 3.23Å; I616-T619 VanDerWaalsContact O-OG1 3.07Å; T619-P623 WeakPolarHBondContact O-CD 3.4Å; T619-P623 WeakPolarHBondContact O-CG 3.5Å
620	T	61.1	Low	60.9	Low	2 Å²	2	35.2 Å²	35.2	1%	0.012	18%	0.182	C	C	.	.	H	α-helix	trans	-90.1	-55.1	179.8	-48.5	0	0	0	0	111.2	C166 V169 I616 F617 I618 I624	C166-T620 HydrophobicContact CB-CG2 4.2Å; C166-T620 WeakPolarHBondContact CB-OG1 3.45Å; V169-T620 HydrophobicContact CB-CG2 4.3Å; V169-T620 HydrophobicContact CG1-CG2 4.41Å; V169-T620 HydrophobicContact CG2-CG2 4.2Å; I616-T620 WeakPolarHBondContact O-CB 3.34Å; I616-T620 PolarHBondContact O-N 2.92Å; I616-T620 PolarHBondContact O-OG1 3.29Å; F617-T620 PolarHBondContact O-N 2.7Å; I618-T620 VanDerWaalsContact C-N 3.25Å; I618-T620 PolarHBondContact O-N 2.69Å; T620-I624 HydrophobicContact CG2-CD1 4.14Å; T620-I624 WeakPolarHBondContact O-CD1 3.22Å; T620-I624 WeakPolarHBondContact O-CG1 3.39Å
621	F	62	Low	60.7	Low	62 Å²	62	39.3 Å²	39.3	27%	0.272	19%	0.193	S	C	.	.	H	α-helix	trans	-77	-36.9	-171.8	-78.2	-87	0	0	0	113.6	F162 L165 F617 I624 I625	F162-F621 HydrophobicContact CD1-CE2 4.41Å; F162-F621 HydrophobicContact CE1-CE2 4Å; L165-F621 HydrophobicContact CD2-CE2 3.91Å; L165-F621 HydrophobicContact CD2-CZ 3.76Å; F617-F621 HydrophobicContact CD1-CD2 4.3Å; F617-F621 AromaticContact CD2-CD2 3.29Å; F617-F621 HydrophobicContact CD2-CD2 3.29Å; F617-F621 AromaticContact CD2-CE2 3.39Å; F617-F621 HydrophobicContact CD2-CE2 3.39Å; F617-F621 HydrophobicContact CD2-CG 4.28Å; F617-F621 HydrophobicContact CD2-CZ 4.42Å; F617-F621 HydrophobicContact CE1-CB 4.39Å; F617-F621 HydrophobicContact CE1-CD2 4.27Å; F617-F621 HydrophobicContact CE1-CG 4.43Å; F617-F621 HydrophobicContact CE2-CD1 4.47Å; F617-F621 AromaticContact CE2-CD2 3.25Å; F617-F621 HydrophobicContact CE2-CD2 3.25Å; F617-F621 HydrophobicContact CE2-CE1 4.48Å; F617-F621 AromaticContact CE2-CE2 3.28Å; F617-F621 HydrophobicContact CE2-CE2 3.28Å; F617-F621 AromaticContact CE2-CG 3.89Å; F617-F621 HydrophobicContact CE2-CG 3.89Å; F617-F621 AromaticContact CE2-CZ 3.93Å; F617-F621 HydrophobicContact CE2-CZ 3.93Å; F617-F621 AromaticContact CG-CD2 3.84Å; F617-F621 HydrophobicContact CG-CD2 3.84Å; F617-F621 HydrophobicContact CG-CE2 4.35Å; F617-F621 HydrophobicContact CZ-CB 4.37Å; F617-F621 AromaticContact CZ-CD2 3.77Å; F617-F621 HydrophobicContact CZ-CD2 3.77Å; F617-F621 HydrophobicContact CZ-CE2 4.18Å; F617-F621 AromaticContact CZ-CG 3.97Å; F617-F621 HydrophobicContact CZ-CG 3.97Å; F617-F621 WeakPolarHBondContact O-CB 3.32Å; F617-F621 WeakPolarHBondContact O-CD2 3.33Å; F617-F621 PolarHBondContact O-N 3.44Å; F621-I624 PolarHBondContact O-N 2.91Å; F621-I625 HydrophobicContact CB-CD1 4.4Å; F621-I625 WeakPolarHBondContact O-CB 3.43Å; F621-I625 VanDerWaalsContact O-CG1 3.23Å; F621-I625 WeakPolarHBondContact O-CG1 3.43Å; F621-I625 PolarHBondContact O-N 3.37Å
622	V	62	Low	60.1	Low	25 Å²	25	42.4 Å²	42.4	15%	0.152	21%	0.214	C	C	.	.	H	α-helix	trans	-66.6	-46.7	-175.6	178	0	0	0	0	111.1	L550 I618 I624 I625 C626	L550-V622 HydrophobicContact CB-CG1 3.9Å; L550-V622 HydrophobicContact CD1-CB 3.75Å; L550-V622 HydrophobicContact CD1-CG1 3.75Å; L550-V622 HydrophobicContact CD1-CG2 4.36Å; L550-V622 HydrophobicContact CG-CG1 4.41Å; I618-V622 HydrophobicContact CG2-CG2 4.05Å; I618-V622 VanDerWaalsContact O-CB 3.23Å; I618-V622 WeakPolarHBondContact O-CB 3.43Å; I618-V622 WeakPolarHBondContact O-CG2 3.44Å; I618-V622 PolarHBondContact O-N 2.88Å; I618-V622 VanDerWaalsContact O-N 3.15Å; V622-I624 PolarHBondContact O-N 3.35Å; V622-I625 PolarHBondContact O-N 3.47Å; V622-C626 VanDerWaalsContact O-CB 3.31Å; V622-C626 WeakPolarHBondContact O-CB 3.39Å; V622-C626 PolarHBondContact O-N 3.37Å; V622-C626 PolarHBondContact O-SG 3.49Å
623	P	58.2	Low	59.5	Low	18 Å²	18	43.3 Å²	43.3	12%	0.117	22%	0.217	C	C	.	.	H	α-helix	trans	-57.5	-45.9	172.5	-27.9	38.6	0	0	0	112.4	T619 I625 C626 F627	T619-P623 WeakPolarHBondContact O-CD 3.4Å; T619-P623 WeakPolarHBondContact O-CG 3.5Å; P623-I625 PolarHBondContact O-N 3.12Å; P623-C626 PolarHBondContact O-N 3.18Å; P623-F627 HydrophobicContact CB-CD2 4.13Å; P623-F627 HydrophobicContact CB-CE2 4Å; P623-F627 WeakPolarHBondContact O-CB 3.21Å; P623-F627 WeakPolarHBondContact O-CD2 3.2Å; P623-F627 WeakPolarHBondContact O-CG 3.03Å; P623-F627 PolarHBondContact O-N 2.81Å
624	I	59.2	Low	59.1	Low	55 Å²	55	44 Å²	44	28%	0.282	22%	0.221	S	C	.	.	H	α-helix	trans	-55.7	-50.3	177.1	-63.3	165.6	0	0	0	110.9	V169 T620 F621 V622 C626 F627 T628	V169-I624 HydrophobicContact CB-CD1 4.24Å; V169-I624 HydrophobicContact CG1-CD1 3.49Å; V169-I624 VanDerWaalsContact CG1-CD1 3.49Å; V169-I624 HydrophobicContact CG1-CG1 3.61Å; V169-I624 HydrophobicContact CG2-CD1 3.71Å; T620-I624 HydrophobicContact CG2-CD1 4.14Å; T620-I624 WeakPolarHBondContact O-CD1 3.22Å; T620-I624 WeakPolarHBondContact O-CG1 3.39Å; F621-I624 PolarHBondContact O-N 2.91Å; V622-I624 PolarHBondContact O-N 3.35Å; I624-C626 VanDerWaalsContact C-N 3.32Å; I624-C626 PolarHBondContact O-N 2.88Å; I624-F627 PolarHBondContact O-N 3.42Å; I624-T628 HydrophobicContact CG2-CG2 4.2Å; I624-T628 WeakPolarHBondContact O-CB 3.16Å; I624-T628 VanDerWaalsContact O-CG2 3.31Å; I624-T628 WeakPolarHBondContact O-CG2 3.39Å; I624-T628 PolarHBondContact O-N 3.45Å; I624-T628 PolarHBondContact O-OG1 3.23Å
625	I	60.1	Low	58.4	Low	56 Å²	56	45.5 Å²	45.5	29%	0.287	23%	0.23	S	C	.	.	H	α-helix	trans	-62.2	-43.1	180	-68.3	165.9	0	0	0	110.1	F621 V622 P623 T628 L629	F621-I625 HydrophobicContact CB-CD1 4.4Å; F621-I625 WeakPolarHBondContact O-CB 3.43Å; F621-I625 VanDerWaalsContact O-CG1 3.23Å; F621-I625 WeakPolarHBondContact O-CG1 3.43Å; F621-I625 PolarHBondContact O-N 3.37Å; V622-I625 PolarHBondContact O-N 3.47Å; P623-I625 PolarHBondContact O-N 3.12Å; I625-T628 VanDerWaalsContact CA-OG1 3.28Å; I625-T628 WeakPolarHBondContact CA-OG1 3.34Å; I625-T628 PolarHBondContact O-OG1 3.43Å; I625-L629 HydrophobicContact CG2-CD1 3.75Å; I625-L629 HydrophobicContact CG2-CG 4.33Å; I625-L629 VanDerWaalsContact O-CB 3.22Å; I625-L629 WeakPolarHBondContact O-CB 3.48Å; I625-L629 WeakPolarHBondContact O-CD1 3.45Å; I625-L629 WeakPolarHBondContact O-CG 3.28Å; I625-L629 PolarHBondContact O-N 3.01Å
626	C	58.1	Low	57.4	Low	22 Å²	22	51.1 Å²	51.1	15%	0.149	26%	0.255	C	S	.	.	H	α-helix	trans	-67.5	-38.9	-179.4	-63.8	0	0	0	0	112.1	S546 V622 P623 I624 R630	S546-C626 WeakPolarHBondContact CB-SG 3Å; S546-C626 WeakPolarHBondContact OG-CB 3.44Å; S546-C626 PolarHBondContact OG-SG 3.49Å; V622-C626 VanDerWaalsContact O-CB 3.31Å; V622-C626 WeakPolarHBondContact O-CB 3.39Å; V622-C626 PolarHBondContact O-N 3.37Å; V622-C626 PolarHBondContact O-SG 3.49Å; P623-C626 PolarHBondContact O-N 3.18Å; I624-C626 VanDerWaalsContact C-N 3.32Å; I624-C626 PolarHBondContact O-N 2.88Å; C626-R630 WeakPolarHBondContact O-CB 3.46Å; C626-R630 PolarHBondContact O-N 3.47Å
627	F	56.9	Low	56.6	Low	32 Å²	32	55 Å²	55	14%	0.14	27%	0.27	C	S	.	.	H	α-helix	trans	-74.1	-42	177	-74.5	-62.9	0	0	0	112.6	W173 P623 I624 L629 R630 R631	W173-F627 HydrophobicContact CH2-CE2 4.2Å; W173-F627 HydrophobicContact CH2-CZ 4.28Å; W173-F627 HydrophobicContact CZ2-CE1 4.47Å; W173-F627 AromaticContact CZ2-CE2 3.8Å; W173-F627 HydrophobicContact CZ2-CE2 3.8Å; W173-F627 AromaticContact CZ2-CZ 3.74Å; W173-F627 HydrophobicContact CZ2-CZ 3.74Å; P623-F627 HydrophobicContact CB-CD2 4.13Å; P623-F627 HydrophobicContact CB-CE2 4Å; P623-F627 WeakPolarHBondContact O-CB 3.21Å; P623-F627 WeakPolarHBondContact O-CD2 3.2Å; P623-F627 WeakPolarHBondContact O-CG 3.03Å; P623-F627 PolarHBondContact O-N 2.81Å; I624-F627 PolarHBondContact O-N 3.42Å; F627-L629 VanDerWaalsContact C-N 3.32Å; F627-R630 PolarHBondContact O-N 3.32Å; F627-R631 WeakPolarHBondContact O-CB 3.32Å; F627-R631 PolarHBondContact O-N 2.9Å
628	T	55.8	Low	55.8	Low	69 Å²	69	55.8 Å²	55.8	42%	0.423	28%	0.277	S	S	.	.	H	α-helix	trans	-61.7	-41.9	172.5	49.5	0	0	0	0	110.2	I624 I625 R631 C632	I624-T628 HydrophobicContact CG2-CG2 4.2Å; I624-T628 WeakPolarHBondContact O-CB 3.16Å; I624-T628 VanDerWaalsContact O-CG2 3.31Å; I624-T628 WeakPolarHBondContact O-CG2 3.39Å; I624-T628 PolarHBondContact O-N 3.45Å; I624-T628 PolarHBondContact O-OG1 3.23Å; I625-T628 VanDerWaalsContact CA-OG1 3.28Å; I625-T628 WeakPolarHBondContact CA-OG1 3.34Å; I625-T628 PolarHBondContact O-OG1 3.43Å; T628-R631 PolarHBondContact O-N 2.95Å; T628-C632 WeakPolarHBondContact O-CB 3.36Å; T628-C632 PolarHBondContact O-N 2.98Å; T628-C632 PolarHBondContact O-SG 3.48Å
629	L	56.4	Low	54.5	Low	78 Å²	78	58.2 Å²	58.2	41%	0.408	30%	0.296	S	S	.	.	H	α-helix	trans	-62.8	-44.5	172.3	-75.4	169.2	0	0	0	112.4	I625 F627 R631 C632 H633	I625-L629 HydrophobicContact CG2-CD1 3.75Å; I625-L629 HydrophobicContact CG2-CG 4.33Å; I625-L629 VanDerWaalsContact O-CB 3.22Å; I625-L629 WeakPolarHBondContact O-CB 3.48Å; I625-L629 WeakPolarHBondContact O-CD1 3.45Å; I625-L629 WeakPolarHBondContact O-CG 3.28Å; I625-L629 PolarHBondContact O-N 3.01Å; F627-L629 VanDerWaalsContact C-N 3.32Å; L629-R631 VanDerWaalsContact C-N 3.29Å; L629-R631 PolarHBondContact O-N 3.13Å; L629-C632 PolarHBondContact O-N 3.02Å; L629-H633 VanDerWaalsContact O-CB 3.22Å; L629-H633 WeakPolarHBondContact O-CB 3.37Å; L629-H633 PolarHBondContact O-N 3.39Å
630	R	55.7	Low	53.3	Low	62 Å²	62	60.6 Å²	60.6	23%	0.234	31%	0.312	C	S	.	.	H	α-helix	trans	-58.3	-41.2	175.7	-176.5	179.3	177	-164.1	-0.5	111.5	E223 C626 F627 N634	E223-R630 IonicContact OE1-CZ 2.78Å; E223-R630 IonicContact OE1-NH1 3Å; E223-R630 PolarHBondContact OE1-NH1 3.38Å; C626-R630 WeakPolarHBondContact O-CB 3.46Å; C626-R630 PolarHBondContact O-N 3.47Å; F627-R630 PolarHBondContact O-N 3.32Å; R630-N634 VanDerWaalsContact O-CG 3.27Å; R630-N634 PolarHBondContact O-N 3.33Å; R630-N634 VanDerWaalsContact O-N 3.08Å
631	R	56.5	Low	52.1	Low	98 Å²	98	63.4 Å²	63.4	37%	0.37	33%	0.331	S	S	.	.	H	α-helix	trans	-78.5	-42.7	179.3	-74.4	-72.7	-179.8	167.3	1.8	112.9	W176 F627 T628 L629 H633 N634 L635	W176-R631 HydrophobicContact CH2-CG 4.01Å; F627-R631 WeakPolarHBondContact O-CB 3.32Å; F627-R631 PolarHBondContact O-N 2.9Å; T628-R631 PolarHBondContact O-N 2.95Å; L629-R631 VanDerWaalsContact C-N 3.29Å; L629-R631 PolarHBondContact O-N 3.13Å; R631-H633 VanDerWaalsContact C-N 3.28Å; R631-H633 PolarHBondContact O-N 2.87Å; R631-N634 CarbonylContact O-C 3.55Å; R631-N634 WeakPolarHBondContact O-CA 3.44Å; R631-N634 WeakPolarHBondContact O-CB 3.17Å; R631-N634 PolarHBondContact O-N 3.37Å; R631-L635 WeakPolarHBondContact O-CG 3.43Å; R631-L635 PolarHBondContact O-N 2.69Å
632	C	53.1	Low	50.5	Low	73 Å²	73	69.7 Å²	69.7	49%	0.493	35%	0.353	S	S	.	.	H	α-helix	trans	-59.7	-40.5	172.7	-74.2	0	0	0	0	110.5	T628 L629 L635 F636	T628-C632 WeakPolarHBondContact O-CB 3.36Å; T628-C632 PolarHBondContact O-N 2.98Å; T628-C632 PolarHBondContact O-SG 3.48Å; L629-C632 PolarHBondContact O-N 3.02Å; C632-L635 PolarHBondContact O-N 3.42Å; C632-F636 WeakPolarHBondContact O-CB 3.5Å; C632-F636 PolarHBondContact O-N 3.28Å
633	H	51.6	Low	48.9	Very low	50 Å²	50	74.3 Å²	74.3	23%	0.231	38%	0.376	C	S	.	.	H	α-helix	trans	-65.4	-40.2	172.6	-171.2	-80.3	0	0	0	111.4	Y542 L629 R631 L635 F636 Y637	Y542-H633 AromaticContact CE2-CD2 3.9Å; Y542-H633 AromaticContact CE2-NE2 3.75Å; L629-H633 VanDerWaalsContact O-CB 3.22Å; L629-H633 WeakPolarHBondContact O-CB 3.37Å; L629-H633 PolarHBondContact O-N 3.39Å; R631-H633 VanDerWaalsContact C-N 3.28Å; R631-H633 PolarHBondContact O-N 2.87Å; H633-L635 PolarHBondContact O-N 2.99Å; H633-F636 PolarHBondContact O-N 3.36Å; H633-Y637 AromaticContact CE1-CD2 3.72Å; H633-Y637 VanDerWaalsContact O-CB 3.29Å; H633-Y637 WeakPolarHBondContact O-CB 3.43Å; H633-Y637 PolarHBondContact O-N 2.74Å
634	N	52.6	Low	47.3	Very low	31 Å²	31	78.9 Å²	78.9	17%	0.166	40%	0.395	C	S	.	.	H	α-helix	trans	-60.5	-43.8	173.1	-77.5	-15.3	0	0	0	112.5	Q539 R630 R631 L638	Q539-N634 PolarHBondContact NE2-ND2 3.35Å; Q539-N634 PolarHBondContact NE2-OD1 3.31Å; R630-N634 VanDerWaalsContact O-CG 3.27Å; R630-N634 PolarHBondContact O-N 3.33Å; R630-N634 VanDerWaalsContact O-N 3.08Å; R631-N634 CarbonylContact O-C 3.55Å; R631-N634 WeakPolarHBondContact O-CA 3.44Å; R631-N634 WeakPolarHBondContact O-CB 3.17Å; R631-N634 PolarHBondContact O-N 3.37Å; N634-L638 WeakPolarHBondContact O-CB 3.45Å; N634-L638 PolarHBondContact O-N 3.38Å
635	L	49	Very low	45.9	Very low	108 Å²	108	82.8 Å²	82.8	57%	0.565	41%	0.412	S	S	*	.	H	α-helix	trans	-67.6	-45.5	177.1	-71.5	172	0	0	0	111.2	R631 C632 H633 Y637 L638 S639	R631-L635 WeakPolarHBondContact O-CG 3.43Å; R631-L635 PolarHBondContact O-N 2.69Å; C632-L635 PolarHBondContact O-N 3.42Å; H633-L635 PolarHBondContact O-N 2.99Å; L635-Y637 VanDerWaalsContact C-N 3.31Å; L635-Y637 PolarHBondContact O-N 3.04Å; L635-L638 CarbonylContact O-C 3.58Å; L635-L638 PolarHBondContact O-N 3.27Å; L635-L638 VanDerWaalsContact O-N 3.16Å; L635-S639 WeakPolarHBondContact O-CB 3.34Å; L635-S639 PolarHBondContact O-N 3.33Å; L635-S639 PolarHBondContact O-OG 2.83Å; L635-S639 VanDerWaalsContact O-OG 3.1Å
636	F	45.1	Very low	44.7	Very low	128 Å²	128	85 Å²	85	56%	0.561	43%	0.43	S	S	*	.	H	α-helix	trans	-63.1	-39.3	178.7	-153.9	-87.6	0	0	0	111	C632 H633 S639 C640	C632-F636 WeakPolarHBondContact O-CB 3.5Å; C632-F636 PolarHBondContact O-N 3.28Å; H633-F636 PolarHBondContact O-N 3.36Å; F636-S639 PolarHBondContact O-N 3.17Å; F636-C640 WeakPolarHBondContact CE1-SG 3.31Å; F636-C640 VanDerWaalsContact O-CB 3.27Å; F636-C640 WeakPolarHBondContact O-CB 3.37Å; F636-C640 PolarHBondContact O-N 2.65Å; F636-C640 PolarHBondContact O-SG 2.83Å; F636-C640 VanDerWaalsContact O-SG 3.32Å
637	Y	46	Very low	43.4	Very low	81 Å²	81	87.1 Å²	87.1	32%	0.318	45%	0.445	S	S	.	.	H	α-helix	trans	-70.5	-38.2	174.4	-141.2	-82.8	0	0	0	111.9	H633 L635 S639 C641	H633-Y637 AromaticContact CE1-CD2 3.72Å; H633-Y637 VanDerWaalsContact O-CB 3.29Å; H633-Y637 WeakPolarHBondContact O-CB 3.43Å; H633-Y637 PolarHBondContact O-N 2.74Å; L635-Y637 VanDerWaalsContact C-N 3.31Å; L635-Y637 PolarHBondContact O-N 3.04Å; Y637-S639 VanDerWaalsContact C-N 3.34Å; Y637-C641 WeakPolarHBondContact CD1-SG 3.41Å; Y637-C641 WeakPolarHBondContact CE1-SG 3.17Å; Y637-C641 VanDerWaalsContact O-CB 3.22Å; Y637-C641 WeakPolarHBondContact O-CB 3.08Å; Y637-C641 PolarHBondContact O-N 3.38Å; Y637-C641 PolarHBondContact O-SG 3.36Å
638	L	45.9	Very low	42.1	Very low	98 Å²	98	88.8 Å²	88.8	51%	0.513	46%	0.456	S	S	.	.	H	α-helix	trans	-63	-43.1	174.1	-151.4	87.5	0	0	0	110.6	N634 L635 R642	N634-L638 WeakPolarHBondContact O-CB 3.45Å; N634-L638 PolarHBondContact O-N 3.38Å; L635-L638 CarbonylContact O-C 3.58Å; L635-L638 PolarHBondContact O-N 3.27Å; L635-L638 VanDerWaalsContact O-N 3.16Å; L638-R642 VanDerWaalsContact O-CB 3.31Å; L638-R642 WeakPolarHBondContact O-CB 3.15Å; L638-R642 PolarHBondContact O-N 3.24Å
639	S	38	Very low	41	Very low	66 Å²	66	90.8 Å²	90.8	46%	0.462	46%	0.463	S	S	.	.	H	α-helix	trans	-67.8	-46.1	176.9	-65.7	0	0	0	0	112.1	L635 F636 Y637 C641 R642 I643	L635-S639 WeakPolarHBondContact O-CB 3.34Å; L635-S639 PolarHBondContact O-N 3.33Å; L635-S639 PolarHBondContact O-OG 2.83Å; L635-S639 VanDerWaalsContact O-OG 3.1Å; F636-S639 PolarHBondContact O-N 3.17Å; Y637-S639 VanDerWaalsContact C-N 3.34Å; S639-C641 VanDerWaalsContact C-N 3.32Å; S639-C641 PolarHBondContact O-N 2.96Å; S639-R642 PolarHBondContact O-N 3.17Å; S639-I643 WeakPolarHBondContact O-CD1 3.35Å; S639-I643 VanDerWaalsContact O-CG1 3.24Å; S639-I643 WeakPolarHBondContact O-CG1 3.21Å; S639-I643 PolarHBondContact O-N 3.09Å
640	C	36.8	Very low	39.7	Very low	58 Å²	58	94.5 Å²	94.5	39%	0.392	48%	0.476	S	S	.	.	H	α-helix	trans	-65.8	-33.6	175.9	-73.5	0	0	0	0	112.5	F636	F636-C640 WeakPolarHBondContact CE1-SG 3.31Å; F636-C640 VanDerWaalsContact O-CB 3.27Å; F636-C640 WeakPolarHBondContact O-CB 3.37Å; F636-C640 PolarHBondContact O-N 2.65Å; F636-C640 PolarHBondContact O-SG 2.83Å; F636-C640 VanDerWaalsContact O-SG 3.32Å
641	C	34.4	Very low	38.4	Very low	62 Å²	62	98.2 Å²	98.2	42%	0.419	50%	0.496	S	S	.	.	H	α-helix	trans	-78.2	-27.7	173.5	-67.1	0	0	0	0	112.7	Y637 S639 I643 H644	Y637-C641 WeakPolarHBondContact CD1-SG 3.41Å; Y637-C641 WeakPolarHBondContact CE1-SG 3.17Å; Y637-C641 VanDerWaalsContact O-CB 3.22Å; Y637-C641 WeakPolarHBondContact O-CB 3.08Å; Y637-C641 PolarHBondContact O-N 3.38Å; Y637-C641 PolarHBondContact O-SG 3.36Å; S639-C641 VanDerWaalsContact C-N 3.32Å; S639-C641 PolarHBondContact O-N 2.96Å; C641-I643 VanDerWaalsContact C-N 3.3Å; C641-H644 CarbonylContact O-C 3.53Å; C641-H644 PolarHBondContact O-N 3.37Å
642	R	29.1	Very low	37.3	Very low	194 Å²	194	98.6 Å²	98.6	73%	0.732	50%	0.504	S	S	*	.	H	α-helix	trans	-71.1	-25.8	171.4	-121	-178.4	173.9	175.1	-0.5	112.7	L638 S639 E645	L638-R642 VanDerWaalsContact O-CB 3.31Å; L638-R642 WeakPolarHBondContact O-CB 3.15Å; L638-R642 PolarHBondContact O-N 3.24Å; S639-R642 PolarHBondContact O-N 3.17Å; R642-E645 PolarHBondContact O-N 3.27Å
643	I	28.9	Very low	36.2	Very low	122 Å²	122	101.1 Å²	101.1	63%	0.626	51%	0.512	S	S	*	.	H	α-helix	trans	-71.8	-21.8	173.5	-66.6	160.6	0	0	0	111	S639 C641 E645	S639-I643 WeakPolarHBondContact O-CD1 3.35Å; S639-I643 VanDerWaalsContact O-CG1 3.24Å; S639-I643 WeakPolarHBondContact O-CG1 3.21Å; S639-I643 PolarHBondContact O-N 3.09Å; C641-I643 VanDerWaalsContact C-N 3.3Å; I643-E645 PolarHBondContact O-N 3.02Å
644	H	24.9	Very low	35.1	Very low	114 Å²	114	103.6 Å²	103.6	53%	0.528	53%	0.527	S	S	.	.	S	Bend	trans	-87	64.4	159.2	-77.9	-50.8	0	0	0	109.9	C641	C641-H644 CarbonylContact O-C 3.53Å; C641-H644 PolarHBondContact O-N 3.37Å
645	E	28.2	Very low	33.9	Very low	137 Å²	137	110.8 Å²	110.8	64%	0.64	56%	0.557	S	S	*	*			trans	-54.9	135.2	153.9	-129	174.6	178.2	0	0	106.9	R642 I643 S647 D648	R642-E645 PolarHBondContact O-N 3.27Å; I643-E645 PolarHBondContact O-N 3.02Å; E645-S647 PolarHBondContact O-N 3.37Å; E645-D648 PolarHBondContact O-N 3.39Å
646	P	35.2	Very low	33	Very low	102 Å²	102	112.5 Å²	112.5	66%	0.662	57%	0.566	S	S	*	*	H	α-helix	trans	-61.4	-3.7	-171.7	21.5	-32.3	0	0	0	114.4	D648 K650	P646-D648 VanDerWaalsContact C-N 3.31Å; P646-K650 PolarHBondContact O-N 3.14Å
647	S	31.9	Very low	32.5	Very low	66 Å²	66	112.6 Å²	112.6	46%	0.462	57%	0.572	S	S	.	*	H	α-helix	trans	-60.3	-38.5	168.5	55.9	0	0	0	0	112.5	E645 K650 Q651	E645-S647 PolarHBondContact O-N 3.37Å; S647-K650 PolarHBondContact O-N 3.26Å; S647-Q651 PolarHBondContact O-N 3.41Å
648	D	28.8	Very low	31.6	Very low	68 Å²	68	113.1 Å²	113.1	36%	0.364	59%	0.586	S	S	.	*	H	α-helix	trans	-82.3	-31.2	-173.8	-75.7	5.9	0	0	0	112.2	E645 P646 K650 Q651 I652	E645-D648 PolarHBondContact O-N 3.39Å; P646-D648 VanDerWaalsContact C-N 3.31Å; D648-K650 VanDerWaalsContact C-N 3.3Å; D648-Q651 PolarHBondContact O-N 3.11Å; D648-I652 WeakPolarHBondContact O-CB 3.28Å; D648-I652 VanDerWaalsContact O-CG1 3.28Å; D648-I652 WeakPolarHBondContact O-CG1 3.38Å; D648-I652 PolarHBondContact O-N 3.42Å
649	L	32.1	Very low	30.7	Very low	110 Å²	110	114.6 Å²	114.6	58%	0.576	61%	0.605	S	S	*	*	H	α-helix	trans	-67.9	-35.3	170.8	-145	90.9	0	0	0	110.6	L653	L649-L653 WeakPolarHBondContact O-CB 3.29Å; L649-L653 PolarHBondContact O-N 2.9Å
650	K	30.2	Very low	30.1	Very low	156 Å²	156	114 Å²	114	68%	0.678	61%	0.609	S	S	*	*	H	α-helix	trans	-67.2	-36.6	171.1	-115.4	179.1	179	-179.9	0	112.3	P646 S647 D648 N654	P646-K650 PolarHBondContact O-N 3.14Å; S647-K650 PolarHBondContact O-N 3.26Å; D648-K650 VanDerWaalsContact C-N 3.3Å; K650-N654 WeakPolarHBondContact O-CB 3.21Å; K650-N654 PolarHBondContact O-N 3.36Å
651	Q	28.3	Very low	29.4	Very low	141 Å²	141	118.8 Å²	118.8	66%	0.659	63%	0.631	S	S	*	*	H	α-helix	trans	-73	-37.8	177.6	-104.3	-173.3	13.8	0	0	113.2	S647 D648 K655	S647-Q651 PolarHBondContact O-N 3.41Å; D648-Q651 PolarHBondContact O-N 3.11Å; Q651-K655 WeakPolarHBondContact O-CB 3.44Å; Q651-K655 PolarHBondContact O-N 3.36Å
652	I	32.9	Very low	28.9	Very low	106 Å²	106	126.4 Å²	126.4	54%	0.544	65%	0.652	S	S	.	*	H	α-helix	trans	-71.4	-39.6	176.6	-64.1	165.6	0	0	0	110	D648	D648-I652 WeakPolarHBondContact O-CB 3.28Å; D648-I652 VanDerWaalsContact O-CG1 3.28Å; D648-I652 WeakPolarHBondContact O-CG1 3.38Å; D648-I652 PolarHBondContact O-N 3.42Å
653	L	30.9	Very low	28.6	Very low	125 Å²	125	126.5 Å²	126.5	65%	0.654	66%	0.661	S	S	*	*	H	α-helix	trans	-73.3	-30.2	177.5	-149.4	78.5	0	0	0	113	L649	L649-L653 WeakPolarHBondContact O-CB 3.29Å; L649-L653 PolarHBondContact O-N 2.9Å
654	N	28.5	Very low	28.5	Very low	103 Å²	103	127.5 Å²	127.5	55%	0.551	67%	0.666	S	S	*	*	H	α-helix	trans	-82.3	-22.7	174.9	-88.2	-0.6	0	0	0	114.1	K650 D656 C658	K650-N654 WeakPolarHBondContact O-CB 3.21Å; K650-N654 PolarHBondContact O-N 3.36Å; N654-D656 PolarHBondContact O-N 2.97Å; N654-C658 PolarHBondContact O-N 3.32Å
655	K	27.3	Very low	28.5	Very low	182 Å²	182	127 Å²	127	79%	0.791	68%	0.675	S	S	*	*	H	α-helix	trans	-66.9	-29	177.7	-117.5	-179.9	177.3	175.4	0	112.6	Q651	Q651-K655 WeakPolarHBondContact O-CB 3.44Å; Q651-K655 PolarHBondContact O-N 3.36Å
656	D	30.6	Very low	28.3	Very low	143 Å²	143	131 Å²	131	77%	0.765	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-10.2	-176.8	-73.6	-12	0	0	0	113.9	N654	N654-D656 PolarHBondContact O-N 2.97Å
657	I	34.2	Very low	27.7	Very low	131 Å²	131	133.3 Å²	133.3	67%	0.672	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.9	-14.9	-171.9	-60.8	-177.8	0	0	0	115.3
658	C	27	Very low	27.4	Very low	91 Å²	91	139.8 Å²	139.8	62%	0.615	71%	0.712	S	S	*	*			trans	-137.9	68.1	-178.2	-70.7	0	0	0	0	114.6	N654 G660	N654-C658 PolarHBondContact O-N 3.32Å; C658-G660 PolarHBondContact O-N 3.3Å
659	S	25.9	Very low	27.3	Very low	130 Å²	130	142.3 Å²	142.3	91%	0.909	74%	0.736	S	S	*	*			trans	-77.6	46.6	150	61.7	0	0	0	0	111.3
660	G	25	Very low	27.1	Very low	53 Å²	53	145 Å²	145	55%	0.546	75%	0.748	S	S	.	*	S	Bend	trans	-133.4	110.8	-178.8	0	0	0	0	0	109.8	C658 Y662	C658-G660 PolarHBondContact O-N 3.3Å; G660-Y662 PolarHBondContact O-N 2.95Å; G660-Y662 VanDerWaalsContact O-N 3.17Å
661	N	22.7	Very low	26.7	Very low	159 Å²	159	146 Å²	146	85%	0.85	75%	0.753	S	S	*	*			trans	-49	109.7	-176	-63.6	-24	0	0	0	113.5
662	Y	24.9	Very low	26.6	Very low	222 Å²	222	147.1 Å²	147.1	87%	0.871	76%	0.76	S	S	*	*			trans	-143.9	114.5	148.6	-87.8	-76.4	0	0	0	110	G660 I664	G660-Y662 PolarHBondContact O-N 2.95Å; G660-Y662 VanDerWaalsContact O-N 3.17Å; Y662-I664 PolarHBondContact O-N 3.28Å
663	E	21.3	Very low	26.3	Very low	196 Å²	196	148.8 Å²	148.8	92%	0.916	77%	0.77	S	S	*	*			trans	-77	108.5	176	-168.3	176.2	-150	0	0	108.4
664	I	28.4	Very low	26	Very low	143 Å²	143	152.7 Å²	152.7	73%	0.733	78%	0.778	S	S	*	*			trans	-131.3	116.1	168.2	-57	179.4	0	0	0	109.1	Y662	Y662-I664 PolarHBondContact O-N 3.28Å
665	S	23.2	Very low	26	Very low	102 Å²	102	155.1 Å²	155.1	71%	0.713	79%	0.789	S	S	*	*			trans	-39.9	128.4	-179.7	169.7	0	0	0	0	115.4
666	Y	24.4	Very low	25.8	Very low	223 Å²	223	151.8 Å²	151.8	88%	0.875	78%	0.78	S	S	*	*			trans	-85.7	109.4	160.8	-70.5	-93.2	0	0	0	108.6
667	D	23.5	Very low	25.6	Very low	149 Å²	149	152.2 Å²	152.2	80%	0.797	78%	0.781	S	S	*	*			trans	-156.1	93.6	161.2	-106.4	-25.1	0	0	0	110.9
668	K	25.9	Very low	25.3	Very low	202 Å²	202	150.5 Å²	150.5	88%	0.878	78%	0.781	S	S	*	*			trans	-172	105.7	141.3	-106.5	166	-174.8	176.9	0	110.4	I670	K668-I670 PolarHBondContact O-N 2.93Å
669	S	25.6	Very low	25.2	Very low	122 Å²	122	155.1 Å²	155.1	85%	0.853	79%	0.791	S	S	*	*			trans	-64.3	111.7	168	45.9	0	0	0	0	110.1	K671	S669-K671 PolarHBondContact O-N 3.49Å
670	I	28	Very low	25.3	Very low	165 Å²	165	156 Å²	156	85%	0.846	78%	0.784	S	S	*	*			trans	-83.2	109.1	167.8	-60.5	175.7	0	0	0	106.9	K668 M672	K668-I670 PolarHBondContact O-N 2.93Å; I670-M672 PolarHBondContact O-N 3.23Å
671	K	23.2	Very low	25.3	Very low	179 Å²	179	157.7 Å²	157.7	78%	0.778	79%	0.793	S	S	*	*			trans	-53.3	124.2	179	-139	174.9	-177.5	-178.2	0	110.6	S669 D673	S669-K671 PolarHBondContact O-N 3.49Å; K671-D673 PolarHBondContact O-N 3.45Å
672	M	24.4	Very low	25.4	Very low	163 Å²	163	155.8 Å²	155.8	80%	0.803	79%	0.787	S	S	*	*			trans	-74.8	108	167	-90.7	-164.3	173.1	0	0	109.1	I670 Y674	I670-M672 PolarHBondContact O-N 3.23Å; M672-Y674 PolarHBondContact O-N 2.74Å
673	D	26.9	Very low	25.4	Very low	141 Å²	141	151.1 Å²	151.1	75%	0.754	78%	0.784	S	S	*	*			trans	-76.2	104.1	166.3	-75.6	-27.6	0	0	0	108.9	K671 I675	K671-D673 PolarHBondContact O-N 3.45Å; D673-I675 PolarHBondContact O-N 2.63Å
674	Y	25.5	Very low	25.5	Very low	207 Å²	207	149.5 Å²	149.5	81%	0.812	78%	0.78	S	S	*	*			trans	-62.6	113.8	167.6	-80.5	-93.4	0	0	0	109.2	M672 N676	M672-Y674 PolarHBondContact O-N 2.74Å; Y674-N676 PolarHBondContact O-N 3.28Å
675	I	27.5	Very low	25.1	Very low	154 Å²	154	145.7 Å²	145.7	79%	0.79	78%	0.776	S	S	*	*			trans	-67.4	100	169.9	-59.5	171.8	0	0	0	107.5	D673 L677	D673-I675 PolarHBondContact O-N 2.63Å; I675-L677 PolarHBondContact O-N 3.18Å
676	N	23.7	Very low	25.2	Very low	112 Å²	112	145.7 Å²	145.7	60%	0.599	78%	0.776	S	S	*	*			trans	-77.8	103.8	175.4	-170.6	-16.6	0	0	0	109.3	Y674 S678 K679	Y674-N676 PolarHBondContact O-N 3.28Å; N676-S678 VanDerWaalsContact CG-OG 3.32Å; N676-S678 PolarHBondContact O-N 3.28Å; N676-S678 PolarHBondContact OD1-N 2.79Å; N676-S678 PolarHBondContact OD1-OG 3.23Å; N676-K679 PolarHBondContact O-N 3.17Å
677	L	27	Very low	25.2	Very low	153 Å²	153	142.8 Å²	142.8	80%	0.801	77%	0.77	S	S	*	*	G	3₁₀ helix	trans	-59.7	-10.8	-178	-92	86.8	0	0	0	114.7	I675 K679	I675-L677 PolarHBondContact O-N 3.18Å; L677-K679 VanDerWaalsContact C-N 3.3Å; L677-K679 PolarHBondContact O-N 3.12Å
678	S	27.6	Very low	25.2	Very low	95 Å²	95	143.2 Å²	143.2	66%	0.664	77%	0.771	S	S	*	*	G	3₁₀ helix	trans	-74.2	-12.2	-179	61.2	0	0	0	0	115.1	N676	N676-S678 VanDerWaalsContact CG-OG 3.32Å; N676-S678 PolarHBondContact O-N 3.28Å; N676-S678 PolarHBondContact OD1-N 2.79Å; N676-S678 PolarHBondContact OD1-OG 3.23Å
679	K	25.6	Very low	25.3	Very low	187 Å²	187	139 Å²	139	81%	0.813	77%	0.767	S	S	*	*	G	3₁₀ helix	trans	-99.4	4.5	-179.2	-78.3	-171.6	176.8	-177.8	0	115.3	N676 L677 A681	N676-K679 PolarHBondContact O-N 3.17Å; L677-K679 VanDerWaalsContact C-N 3.3Å; L677-K679 PolarHBondContact O-N 3.12Å; K679-A681 PolarHBondContact O-N 3.44Å
680	L	26.6	Very low	25.1	Very low	149 Å²	149	138.2 Å²	138.2	78%	0.78	76%	0.761	S	S	*	*			trans	-80.3	65.8	176.6	-150.3	79.3	0	0	0	110.7
681	A	24.6	Very low	25	Very low	88 Å²	88	136.8 Å²	136.8	73%	0.727	76%	0.761	S	S	*	*			trans	-88.1	118.5	166.4	0	0	0	0	0	108.6	K679	K679-A681 PolarHBondContact O-N 3.44Å
682	V	25.2	Very low	25	Very low	119 Å²	119	134.7 Å²	134.7	72%	0.721	76%	0.763	S	S	*	*			trans	-65.8	123.4	178.9	179	0	0	0	0	109.4	I684	V682-I684 PolarHBondContact O-N 2.93Å
683	P	26.3	Very low	24.9	Very low	125 Å²	125	134.1 Å²	134.1	81%	0.812	76%	0.761	S	S	*	*			trans	-76.8	109.5	171.9	-1.3	17.9	0	0	0	109
684	I	22.2	Very low	24.8	Very low	161 Å²	161	134.8 Å²	134.8	83%	0.826	77%	0.765	S	S	*	*			trans	-83.4	112.8	167.4	-65.6	169.4	0	0	0	107.4	V682	V682-I684 PolarHBondContact O-N 2.93Å
685	G	20.5	Very low	24.7	Very low	64 Å²	64	131.8 Å²	131.8	66%	0.66	76%	0.763	S	S	*	*			trans	82.1	113.2	157	0	0	0	0	0	117.2
686	S	24.2	Very low	24.7	Very low	102 Å²	102	133 Å²	133	71%	0.713	77%	0.77	S	S	*	*			trans	-177.4	113.4	136.9	22.6	0	0	0	0	113.6
687	H	25.1	Very low	24.6	Very low	162 Å²	162	130.5 Å²	130.5	75%	0.75	77%	0.771	S	S	*	*			trans	68	112.4	136.7	-50.6	-58.3	0	0	0	119.6
688	I	24.7	Very low	24.4	Very low	158 Å²	158	130.8 Å²	130.8	81%	0.81	77%	0.773	S	S	*	*				51.4	90.3	78.6	-54.3	171.5	0	0	0	110.7
689	S	26.1	Very low	24.2	Very low	113 Å²	113	135.3 Å²	135.3	79%	0.79	78%	0.784	S	S	*	*			trans	-104.5	100.9	162.6	45.8	0	0	0	0	109.2	T691	S689-T691 PolarHBondContact O-N 3.46Å
690	S	22.1	Very low	24.2	Very low	106 Å²	106	131.5 Å²	131.5	74%	0.741	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-61.2	122	164.2	51.9	0	0	0	0	109.9
691	T	25.5	Very low	24	Very low	135 Å²	135	130.4 Å²	130.4	83%	0.828	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-101.9	126.9	163.6	38.2	0	0	0	0	108.5	S689	S689-T691 PolarHBondContact O-N 3.46Å
692	T	23.1	Very low	23.9	Very low	134 Å²	134	133.6 Å²	133.6	82%	0.822	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-70.6	137.4	-174.9	35.6	0	0	0	0	112
693	I	23.2	Very low	23.7	Very low	151 Å²	151	133 Å²	133	77%	0.774	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-63.3	130.8	163.8	-63.2	160.1	0	0	0	107.9
694	D	24.3	Very low	23.5	Very low	155 Å²	155	131.2 Å²	131.2	83%	0.829	78%	0.776	S	S	*	*			trans	-149.1	128	147.3	-90.8	-30.6	0	0	0	110.2
695	D	23.4	Very low	23.4	Very low	144 Å²	144	128.1 Å²	128.1	77%	0.77	77%	0.769	S	S	*	*			trans	-28.8	128.9	176.6	-70.5	-47.9	0	0	0	118.7
696	L	27.8	Very low	23.5	Very low	180 Å²	180	131.9 Å²	131.9	94%	0.942	77%	0.773	S	S	*	*			trans	-145.6	111.9	130.4	-154.4	66.6	0	0	0	110.2
697	G	22	Very low	23.5	Very low	60 Å²	60	131.4 Å²	131.4	62%	0.619	77%	0.77	S	S	*	*			trans	-75.1	170.2	-166.3	0	0	0	0	0	117
698	N	22.6	Very low	23.3	Very low	159 Å²	159	129 Å²	129	85%	0.85	77%	0.771	S	S	*	*			trans	72.4	79.3	154.6	-56.8	-11.7	0	0	0	117.4
699	Q	24.1	Very low	23.2	Very low	189 Å²	189	126.4 Å²	126.4	88%	0.883	76%	0.763	S	S	*	*	S	Bend	trans	-162.4	125.7	132.8	-106.9	162.4	48.4	0	0	111.7
700	S	24.9	Very low	23.1	Very low	107 Å²	107	127.7 Å²	127.7	75%	0.748	77%	0.766	S	S	*	*			trans	54.2	100.2	162.9	58	0	0	0	0	118.4	I702	S700-I702 PolarHBondContact O-N 3.42Å
701	T	21.4	Very low	23.1	Very low	126 Å²	126	130.1 Å²	130.1	77%	0.773	77%	0.766	S	S	*	*			trans	-38.9	93.8	154.4	-31.4	0	0	0	0	112.4	T703	T701-T703 HydrophobicContact CG2-CG2 4Å
702	I	22.6	Very low	23	Very low	155 Å²	155	128.9 Å²	128.9	80%	0.795	76%	0.762	S	S	*	*			trans	-100.5	86.2	146	-59.7	179.9	0	0	0	105.7	S700 A704	S700-I702 PolarHBondContact O-N 3.42Å; I702-A704 VanDerWaalsContact C-N 3.26Å; I702-A704 PolarHBondContact O-N 3.01Å
703	T	20.8	Very low	23.1	Very low	108 Å²	108	128.1 Å²	128.1	66%	0.663	76%	0.76	S	S	*	*			trans	-61.4	92.2	157.5	27.8	0	0	0	0	108.3	T701	T701-T703 HydrophobicContact CG2-CG2 4Å
704	A	22.6	Very low	23.1	Very low	87 Å²	87	129.3 Å²	129.3	72%	0.719	76%	0.763	S	S	*	*			trans	-109.1	51.9	150.2	0	0	0	0	0	108.6	I702 L706	I702-A704 VanDerWaalsContact C-N 3.26Å; I702-A704 PolarHBondContact O-N 3.01Å; A704-L706 PolarHBondContact O-N 3.13Å
705	S	21.1	Very low	23	Very low	96 Å²	96	126.9 Å²	126.9	67%	0.671	76%	0.758	S	S	*	*			trans	-68.8	85.8	151	53.2	0	0	0	0	107.3
706	L	22.6	Very low	23.2	Very low	143 Å²	143	124.6 Å²	124.6	75%	0.749	75%	0.753	S	S	*	*			trans	-142.7	89.6	155.5	-133.8	86.8	0	0	0	108.2	A704 S708	A704-L706 PolarHBondContact O-N 3.13Å; L706-S708 PolarHBondContact O-N 3.34Å
707	S	23	Very low	23	Very low	91 Å²	91	122.2 Å²	122.2	64%	0.636	75%	0.746	S	S	*	*			trans	-14.7	124.8	136.1	44.2	0	0	0	0	113.8	T709	S707-T709 PolarHBondContact O-N 3.01Å
708	S	22.6	Very low	23.2	Very low	111 Å²	111	125.7 Å²	125.7	78%	0.776	75%	0.75	S	S	*	*	S	Bend	trans	25.4	88	142.5	59.2	0	0	0	0	116.1	L706	L706-S708 PolarHBondContact O-N 3.34Å
709	T	21.9	Very low	23.3	Very low	104 Å²	104	123.4 Å²	123.4	64%	0.638	74%	0.743	S	S	*	*			trans	-170.1	86	149.5	11.1	0	0	0	0	110.7	S707	S707-T709 PolarHBondContact O-N 3.01Å
710	T	24	Very low	23.4	Very low	141 Å²	141	121.5 Å²	121.5	87%	0.865	74%	0.737	S	S	*	*			trans	-129.8	61.3	136.3	45.7	0	0	0	0	107.9	C712	T710-C712 VanDerWaalsContact C-N 3.27Å; T710-C712 PolarHBondContact O-N 2.97Å
711	Q	22.5	Very low	23.4	Very low	156 Å²	156	120.5 Å²	120.5	73%	0.729	72%	0.722	S	S	*	*			trans	-68.9	98.7	133	-86.1	177.8	-26.8	0	0	105.6
712	C	21.8	Very low	23.7	Very low	110 Å²	110	117.8 Å²	117.8	74%	0.743	71%	0.707	S	S	*	*			trans	-124.8	119.5	162.3	-141.1	0	0	0	0	106.2	T710	T710-C712 VanDerWaalsContact C-N 3.27Å; T710-C712 PolarHBondContact O-N 2.97Å
713	C	25.6	Very low	24	Very low	117 Å²	117	115.1 Å²	115.1	79%	0.791	70%	0.7	S	S	*	*			trans	81.6	54.1	178.5	-49.5	0	0	0	0	116.8
714	Q	22.8	Very low	24.4	Very low	177 Å²	177	114.5 Å²	114.5	83%	0.827	70%	0.698	S	S	*	*			trans	-86	101.7	130.8	-85.3	-177.3	-22.9	0	0	107.3
715	S	24	Very low	24.7	Very low	104 Å²	104	115.9 Å²	115.9	73%	0.727	69%	0.69	S	S	*	*			trans	-155.7	63.6	165.5	68.2	0	0	0	0	111
716	S	26.3	Very low	25.2	Very low	96 Å²	96	116.2 Å²	116.2	67%	0.671	68%	0.684	S	S	*	*			trans	-151.3	83	134.5	61.4	0	0	0	0	105.4	D718	S716-D718 PolarHBondContact O-N 2.95Å
717	T	24.6	Very low	25.5	Very low	129 Å²	129	114.5 Å²	114.5	79%	0.791	68%	0.675	S	S	*	*			trans	-60.9	87.8	147.9	46	0	0	0	0	104.9	T719	T717-T719 PolarHBondContact O-N 3.22Å
718	D	25	Very low	25.8	Very low	133 Å²	133	116.7 Å²	116.7	71%	0.711	67%	0.673	S	S	*	*			trans	-51.9	102.6	145.1	-78.7	-26.6	0	0	0	103.1	S716 I720	S716-D718 PolarHBondContact O-N 2.95Å; D718-I720 PolarHBondContact O-N 2.89Å
719	T	25.4	Very low	26.3	Very low	112 Å²	112	116.9 Å²	116.9	69%	0.687	67%	0.665	S	S	*	*			trans	-57.7	91	163.8	39.4	0	0	0	0	104	T717 I721	T717-T719 PolarHBondContact O-N 3.22Å; T719-I721 PolarHBondContact O-N 2.63Å
720	I	25.8	Very low	26.8	Very low	148 Å²	148	119.6 Å²	119.6	76%	0.759	67%	0.67	S	S	*	*			trans	-61.8	88.5	162	-62.7	170.7	0	0	0	102.6	D718 P722	D718-I720 PolarHBondContact O-N 2.89Å; I720-P722 WeakPolarHBondContact O-CD 3.25Å
721	I	26	Very low	27.1	Very low	86 Å²	86	117.7 Å²	117.7	44%	0.441	66%	0.659	S	S	.	*			trans	-57.8	110.2	168.3	-65.9	168.7	0	0	0	103.5	T719 E725 L726	T719-I721 PolarHBondContact O-N 2.63Å; I721-E725 HydrophobicContact CG2-CB 3.65Å; I721-L726 HydrophobicContact CG2-CD1 4.31Å; I721-L726 HydrophobicContact CG2-CG 4.32Å
722	P	26.6	Very low	27.5	Very low	70 Å²	70	115.5 Å²	115.5	46%	0.455	65%	0.647	S	S	.	*			trans	-57.8	141.7	177.7	-19	32.1	0	0	0	107.6	I720 C724 E725	I720-P722 WeakPolarHBondContact O-CD 3.25Å; P722-C724 PolarHBondContact O-N 2.7Å; P722-E725 PolarHBondContact O-N 2.7Å
723	P	29.9	Very low	28.3	Very low	99 Å²	99	114.3 Å²	114.3	64%	0.643	64%	0.636	S	S	*	*	H	α-helix	trans	-53.1	-20.6	-173.3	16.1	-29.3	0	0	0	114	E725 L726 L727	P723-E725 VanDerWaalsContact C-N 3.32Å; P723-E725 PolarHBondContact O-N 2.7Å; P723-L726 PolarHBondContact O-N 3.45Å; P723-L727 PolarHBondContact O-N 3.25Å
724	C	28.5	Very low	28.6	Very low	94 Å²	94	118.6 Å²	118.6	64%	0.635	64%	0.635	S	S	*	*	H	α-helix	trans	-62.4	-29.1	174.3	-46.3	0	0	0	0	114.5	P722	P722-C724 PolarHBondContact O-N 2.7Å
725	E	28.6	Very low	29.2	Very low	116 Å²	116	113.1 Å²	113.1	54%	0.542	62%	0.621	S	S	.	*	H	α-helix	trans	-85.9	-30	177.1	-76.2	-157.8	157.8	0	0	113	I721 P722 P723 L727 K728	I721-E725 HydrophobicContact CG2-CB 3.65Å; P722-E725 PolarHBondContact O-N 2.7Å; P723-E725 VanDerWaalsContact C-N 3.32Å; P723-E725 PolarHBondContact O-N 2.7Å; E725-L727 PolarHBondContact O-N 2.95Å; E725-K728 WeakPolarHBondContact O-CB 3.37Å; E725-K728 PolarHBondContact O-N 3.43Å
726	L	32.2	Very low	29.6	Very low	103 Å²	103	112.9 Å²	112.9	54%	0.539	61%	0.608	S	S	.	*	H	α-helix	trans	-63.9	-29.9	170.3	-93.9	148.5	0	0	0	111.9	I721 P723 K728 L729	I721-L726 HydrophobicContact CG2-CD1 4.31Å; I721-L726 HydrophobicContact CG2-CG 4.32Å; P723-L726 PolarHBondContact O-N 3.45Å; L726-K728 VanDerWaalsContact C-N 3.28Å; L726-K728 PolarHBondContact O-N 2.93Å; L726-L729 HydrophobicContact CD2-CD1 4.17Å; L726-L729 WeakPolarHBondContact O-CB 3.32Å; L726-L729 PolarHBondContact O-N 3.47Å
727	L	29.1	Very low	29.9	Very low	108 Å²	108	116.2 Å²	116.2	57%	0.565	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-67.1	-24.2	171.3	-84.5	152.3	0	0	0	113.3	P723 E725 L729 Q730	P723-L727 PolarHBondContact O-N 3.25Å; E725-L727 PolarHBondContact O-N 2.95Å; L727-L729 VanDerWaalsContact C-N 3.27Å; L727-L729 PolarHBondContact O-N 3.47Å; L727-Q730 PolarHBondContact O-N 2.93Å
728	K	28.4	Very low	30.3	Very low	137 Å²	137	118 Å²	118	60%	0.596	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-74.4	-14.9	172.5	-74	-177.3	178	174.5	0	113.1	E725 L726 Q730 T731 F732	E725-K728 WeakPolarHBondContact O-CB 3.37Å; E725-K728 PolarHBondContact O-N 3.43Å; L726-K728 VanDerWaalsContact C-N 3.28Å; L726-K728 PolarHBondContact O-N 2.93Å; K728-Q730 VanDerWaalsContact C-N 3.28Å; K728-T731 PolarHBondContact O-N 3.36Å; K728-T731 PolarHBondContact O-OG1 2.92Å; K728-F732 VanDerWaalsContact O-CD2 3.31Å; K728-F732 WeakPolarHBondContact O-CD2 3.28Å; K728-F732 WeakPolarHBondContact O-CE2 3.41Å
729	L	32.6	Very low	30.5	Very low	115 Å²	115	119.5 Å²	119.5	60%	0.602	61%	0.61	S	S	*	*	G	3₁₀ helix	trans	-73.3	-21.7	172.3	-80.9	153.8	0	0	0	112.3	L726 L727	L726-L729 HydrophobicContact CD2-CD1 4.17Å; L726-L729 WeakPolarHBondContact O-CB 3.32Å; L726-L729 PolarHBondContact O-N 3.47Å; L727-L729 VanDerWaalsContact C-N 3.27Å; L727-L729 PolarHBondContact O-N 3.47Å
730	Q	33.5	Very low	30.6	Very low	160 Å²	160	123 Å²	123	75%	0.748	62%	0.616	S	S	*	*	G	3₁₀ helix	trans	-78.3	-15.2	174.8	-79.4	-174.2	-24.6	0	0	113.9	L727 K728 F732	L727-Q730 PolarHBondContact O-N 2.93Å; K728-Q730 VanDerWaalsContact C-N 3.28Å; Q730-F732 VanDerWaalsContact C-N 3.32Å
731	T	30.6	Very low	30.7	Very low	102 Å²	102	121.8 Å²	121.8	63%	0.626	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-87.2	-1	178	54.9	0	0	0	0	113.5	K728 T733	K728-T731 PolarHBondContact O-N 3.36Å; K728-T731 PolarHBondContact O-OG1 2.92Å; T731-T733 PolarHBondContact O-N 3.25Å
732	F	30.6	Very low	30.7	Very low	110 Å²	110	126.4 Å²	126.4	48%	0.482	64%	0.637	S	S	.	*			trans	-77.6	108.7	173.6	-74.5	-85.3	0	0	0	110.8	K728 Q730 Q736	K728-F732 VanDerWaalsContact O-CD2 3.31Å; K728-F732 WeakPolarHBondContact O-CD2 3.28Å; K728-F732 WeakPolarHBondContact O-CE2 3.41Å; Q730-F732 VanDerWaalsContact C-N 3.32Å; F732-Q736 HydrophobicContact CD1-CB 4.06Å
733	T	37.3	Very low	30.6	Very low	84 Å²	84	131.4 Å²	131.4	52%	0.515	66%	0.657	S	S	.	*			trans	-71	150.4	171.2	54.2	0	0	0	0	110.5	T731 A735 Q736	T731-T733 PolarHBondContact O-N 3.25Å; T733-A735 PolarHBondContact O-N 3.48Å; T733-Q736 PolarHBondContact O-N 2.76Å
734	R	33.7	Very low	30.3	Very low	207 Å²	207	133.9 Å²	133.9	78%	0.781	66%	0.664	S	S	*	*	H	α-helix	trans	-49.3	-26.2	177.2	-169.3	177.4	-174.1	176.3	1.3	113.7	K738	R734-K738 PolarHBondContact O-N 3.41Å
735	A	35.6	Very low	30.1	Very low	63 Å²	63	137.1 Å²	137.1	52%	0.521	67%	0.673	S	S	.	*	H	α-helix	trans	-68.3	-39.7	176	0	0	0	0	0	113	T733 F737 K738 Q739	T733-A735 PolarHBondContact O-N 3.48Å; A735-F737 VanDerWaalsContact C-N 3.34Å; A735-F737 PolarHBondContact O-N 2.84Å; A735-K738 PolarHBondContact O-N 3.49Å; A735-Q739 PolarHBondContact O-N 3.15Å
736	Q	31.3	Very low	29.9	Very low	99 Å²	99	137.5 Å²	137.5	46%	0.463	68%	0.679	S	S	.	*	H	α-helix	trans	-70.1	-31.9	178.9	-68.6	177.5	-24.3	0	0	111.9	F732 T733 Q739	F732-Q736 HydrophobicContact CD1-CB 4.06Å; T733-Q736 PolarHBondContact O-N 2.76Å; Q736-Q739 PolarHBondContact O-N 2.84Å
737	F	33.4	Very low	29.5	Very low	166 Å²	166	140.8 Å²	140.8	73%	0.728	69%	0.689	S	S	*	*	H	α-helix	trans	-71.6	-28.9	176.2	-129	-83.1	0	0	0	113	A735	A735-F737 VanDerWaalsContact C-N 3.34Å; A735-F737 PolarHBondContact O-N 2.84Å
738	K	31.5	Very low	29.3	Very low	165 Å²	165	144 Å²	144	72%	0.717	70%	0.701	S	S	*	*	H	α-helix	trans	-79.5	-16.3	176.3	-81.3	-170.8	172.7	-170.5	0	113.9	R734 A735	R734-K738 PolarHBondContact O-N 3.41Å; A735-K738 PolarHBondContact O-N 3.49Å
739	Q	30.2	Very low	29	Very low	165 Å²	165	143.4 Å²	143.4	77%	0.771	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	8.1	-176	-82.7	-172.7	-10.3	0	0	115.2	A735 Q736 P741	A735-Q739 PolarHBondContact O-N 3.15Å; Q736-Q739 PolarHBondContact O-N 2.84Å; Q739-P741 WeakPolarHBondContact O-CD 3.31Å
740	K	26.5	Very low	28.5	Very low	186 Å²	186	148.1 Å²	148.1	81%	0.809	73%	0.725	S	S	*	*			trans	-100.2	100.7	168	-96.9	-173.4	173	-176.9	0	110.8
741	P	28.1	Very low	27.9	Very low	122 Å²	122	147.4 Å²	147.4	79%	0.792	73%	0.726	S	S	*	*			trans	-64	141.8	168.3	25.5	-30.4	0	0	0	110.4	Q739 M743	Q739-P741 WeakPolarHBondContact O-CD 3.31Å; P741-M743 PolarHBondContact O-N 3.4Å
742	Q	26.6	Very low	27.5	Very low	183 Å²	183	153.4 Å²	153.4	86%	0.855	74%	0.737	S	S	*	*			trans	-55.6	113.5	-177.5	-73.1	154.4	-48.6	0	0	111.5	L744	Q742-L744 PolarHBondContact O-N 3.42Å
743	M	24.8	Very low	27.5	Very low	175 Å²	175	152.7 Å²	152.7	86%	0.862	74%	0.744	S	S	*	*			trans	-77.1	110	162.7	-115.7	-180	86.3	0	0	107.9	P741 I745	P741-M743 PolarHBondContact O-N 3.4Å; M743-I745 PolarHBondContact O-N 3.44Å
744	L	23.6	Very low	26.7	Very low	151 Å²	151	155.4 Å²	155.4	79%	0.791	75%	0.753	S	S	*	*			trans	-61.5	116.4	170.1	-141.5	87.9	0	0	0	108.2	Q742	Q742-L744 PolarHBondContact O-N 3.42Å
745	I	25	Very low	26.2	Very low	163 Å²	163	156 Å²	156	84%	0.836	76%	0.757	S	S	*	*			trans	-97.6	94.8	170.4	-60.5	172.4	0	0	0	105.7	M743	M743-I745 PolarHBondContact O-N 3.44Å
746	D	24.4	Very low	25.5	Very low	124 Å²	124	158.2 Å²	158.2	66%	0.663	77%	0.765	S	S	*	*			trans	-83.9	158	170.6	-129.6	-23.5	0	0	0	111.1
747	K	23.8	Very low	25.1	Very low	172 Å²	172	160.4 Å²	160.4	75%	0.748	78%	0.78	S	S	*	*			trans	-54.3	152.2	-159.1	-68.6	169.1	172.3	173.6	0	118.5
748	E	22.8	Very low	24.8	Very low	175 Å²	175	160.5 Å²	160.5	82%	0.818	79%	0.787	S	S	*	*			trans	46.9	103.5	144.4	-73.2	172.2	138.7	0	0	118.7
749	S	23.5	Very low	24.4	Very low	124 Å²	124	158.3 Å²	158.3	87%	0.867	79%	0.789	S	S	*	*				-169	147	125.8	34.6	0	0	0	0	112.5
750	Y	21.4	Very low	23.8	Very low	214 Å²	214	156.3 Å²	156.3	84%	0.839	79%	0.788	S	S	*	*			trans	-71.5	160	-172.6	-80.2	-105	0	0	0	114.6
751	L	22.1	Very low	23.7	Very low	146 Å²	146	152.9 Å²	152.9	76%	0.764	79%	0.787	S	S	*	*			trans	78.3	106.7	144.3	-71.7	150.3	0	0	0	120.6
752	R	20.9	Very low	23.3	Very low	228 Å²	228	152 Å²	152	86%	0.86	78%	0.784	S	S	*	*				70.9	168.3	125.2	-120.2	-175.6	-166.1	-167.2	4.3	117.7
753	P	30.8	Very low	23.1	Very low	95 Å²	95	151 Å²	151	62%	0.617	78%	0.784	S	S	*	*				-120.1	174.2	-86.3	41.1	-26.9	0	0	0	113.9
754	I	20.4	Very low	23	Very low	140 Å²	140	151.8 Å²	151.8	72%	0.718	79%	0.785	S	S	*	*			trans	57.8	102.6	154.2	-58.1	149.6	0	0	0	115.3
755	Y	24.1	Very low	23	Very low	219 Å²	219	153 Å²	153	86%	0.859	79%	0.789	S	S	*	*				-157	134	123.8	-94.4	-70	0	0	0	110.6
756	T	21.3	Very low	22.9	Very low	111 Å²	111	153 Å²	153	68%	0.681	79%	0.79	S	S	*	*			trans	-50.6	150	160.2	41.3	0	0	0	0	112.7
757	N	22	Very low	22.9	Very low	145 Å²	145	154.9 Å²	154.9	78%	0.775	80%	0.795	S	S	*	*			trans	100.6	109.3	166	-57.6	-17.9	0	0	0	115.3	P759	N757-P759 WeakPolarHBondContact O-CD 3.34Å
758	L	26.7	Very low	23	Very low	168 Å²	168	155.8 Å²	155.8	88%	0.88	80%	0.802	S	S	*	*			trans	-41.1	135.4	160.7	-132.9	77.9	0	0	0	110.8
759	P	23.2	Very low	23	Very low	119 Å²	119	155.1 Å²	155.1	77%	0.773	80%	0.804	S	S	*	*			trans	-125.9	125	147.2	21.9	-2	0	0	0	111.3	N757	N757-P759 WeakPolarHBondContact O-CD 3.34Å
760	T	18.2	Very low	23.2	Very low	122 Å²	122	154.8 Å²	154.8	75%	0.748	80%	0.797	S	S	*	*			trans	-50.7	151.8	150.2	34	0	0	0	0	113.7
761	C	23.1	Very low	23.3	Very low	115 Å²	115	151.3 Å²	151.3	78%	0.777	80%	0.798	S	S	*	*			trans	114.3	121.2	138.8	-81	0	0	0	0	120.5
762	S	20.2	Very low	23.5	Very low	104 Å²	104	148.4 Å²	148.4	73%	0.727	79%	0.787	S	S	*	*				76.7	106.4	127.9	53	0	0	0	0	121.7
763	N	22.5	Very low	23.7	Very low	161 Å²	161	144 Å²	144	86%	0.861	79%	0.785	S	S	*	*				15.8	119	125.2	-63	-5.8	0	0	0	118.5
764	E	23.2	Very low	23.3	Very low	191 Å²	191	147.7 Å²	147.7	89%	0.893	79%	0.792	S	S	*	*			trans	-163.5	103.9	136.8	-106	168.1	-162.7	0	0	107.3
765	M	22.7	Very low	23.5	Very low	176 Å²	176	146.2 Å²	146.2	87%	0.867	79%	0.789	S	S	*	*				41.6	106.5	115	-72.5	-153.4	121.2	0	0	115.7
766	L	24.1	Very low	23.4	Very low	163 Å²	163	141.4 Å²	141.4	85%	0.853	78%	0.784	S	S	*	*				-168.8	131	108.1	-147.6	73.7	0	0	0	111
767	E	23.5	Very low	23.5	Very low	165 Å²	165	140 Å²	140	77%	0.771	78%	0.776	S	S	*	*			trans	-62.3	142	173.5	-59.9	161.4	140.9	0	0	112
768	Q	25.4	Very low	23.6	Very low	190 Å²	190	136.9 Å²	136.9	89%	0.888	77%	0.765	S	S	*	*			trans	-153.6	127.5	143.3	-113.4	171.3	17.2	0	0	111.6	T770	Q768-T770 PolarHBondContact O-N 3.34Å
769	N	24.8	Very low	23.5	Very low	161 Å²	161	134.7 Å²	134.7	86%	0.861	75%	0.753	S	S	*	*			trans	-56.6	113.8	-171.8	-66.9	-39.3	0	0	0	113.8
770	T	26.1	Very low	23.5	Very low	117 Å²	117	137.9 Å²	137.9	72%	0.718	76%	0.755	S	S	*	*			trans	-126.8	113	146.7	51.6	0	0	0	0	108	Q768 T772	Q768-T770 PolarHBondContact O-N 3.34Å; T770-T772 VanDerWaalsContact C-N 3.29Å; T770-T772 PolarHBondContact O-N 3.39Å
771	T	23.9	Very low	23.8	Very low	142 Å²	142	139 Å²	139	87%	0.871	76%	0.755	S	S	*	*			trans	-61.1	85.9	174.8	45.3	0	0	0	0	110.1	T773	T771-T773 PolarHBondContact O-N 2.88Å
772	T	27.4	Very low	23.9	Very low	85 Å²	85	139.2 Å²	139.2	52%	0.521	75%	0.753	S	S	.	*			trans	-80.5	106	165	51.8	0	0	0	0	107.4	T770 F774	T770-T772 VanDerWaalsContact C-N 3.29Å; T770-T772 PolarHBondContact O-N 3.39Å; T772-F774 WeakPolarHBondContact O-CD2 3.18Å; T772-F774 PolarHBondContact O-N 3.49Å; T772-F774 WeakPolarHBondContact OG1-CE2 3.36Å
773	T	23.4	Very low	24.2	Very low	134 Å²	134	140.3 Å²	140.3	82%	0.822	75%	0.75	S	S	*	*			trans	-61.1	100.4	168.8	37.7	0	0	0	0	108.9	T771 V775	T771-T773 PolarHBondContact O-N 2.88Å; T773-V775 PolarHBondContact O-N 3.24Å; T773-V775 VanDerWaalsContact O-N 3.17Å
774	F	23.5	Very low	24.3	Very low	174 Å²	174	140 Å²	140	76%	0.763	75%	0.748	S	S	*	*			trans	-70.1	104.9	173	-67.6	-83.2	0	0	0	109	T772 P776	T772-F774 WeakPolarHBondContact O-CD2 3.18Å; T772-F774 PolarHBondContact O-N 3.49Å; T772-F774 WeakPolarHBondContact OG1-CE2 3.36Å; F774-P776 WeakPolarHBondContact O-CD 3.34Å
775	V	23.3	Very low	24.5	Very low	109 Å²	109	139.4 Å²	139.4	66%	0.661	75%	0.745	S	S	*	*			trans	-76.1	116.5	166.1	-179.2	0	0	0	0	107.3	T773 V777	T773-V775 PolarHBondContact O-N 3.24Å; T773-V775 VanDerWaalsContact O-N 3.17Å; V775-V777 PolarHBondContact O-N 3.09Å; V775-V777 VanDerWaalsContact O-N 3.09Å
776	P	23.2	Very low	24.8	Very low	117 Å²	117	134.9 Å²	134.9	76%	0.76	73%	0.729	S	S	*	*			trans	-69.3	108.9	-178.4	26.3	-31.4	0	0	0	110.1	F774 S778	F774-P776 WeakPolarHBondContact O-CD 3.34Å; P776-S778 PolarHBondContact O-N 2.61Å
777	V	23.1	Very low	24.9	Very low	83 Å²	83	135.6 Å²	135.6	50%	0.503	73%	0.733	S	S	.	*			trans	-79.2	110.6	171.6	-176.7	0	0	0	0	108.2	V775 I779 V834	V775-V777 PolarHBondContact O-N 3.09Å; V775-V777 VanDerWaalsContact O-N 3.09Å; V777-I779 HydrophobicContact CG1-CG1 4.37Å; V777-I779 PolarHBondContact O-N 2.91Å; V777-V834 HydrophobicContact CG1-CG1 4.17Å
778	S	23.8	Very low	25.1	Very low	79 Å²	79	132.3 Å²	132.3	55%	0.552	73%	0.727	S	S	*	*			trans	-79.8	101.2	174.6	68	0	0	0	0	109.8	P776 K780	P776-S778 PolarHBondContact O-N 2.61Å; S778-K780 PolarHBondContact O-N 2.82Å; S778-K780 VanDerWaalsContact O-N 3.14Å
779	I	24.3	Very low	25.1	Very low	121 Å²	121	129.3 Å²	129.3	62%	0.621	73%	0.726	S	S	*	*			trans	-79.7	96.9	174.8	-53.9	173.6	0	0	0	107.9	V777 L781	V777-I779 HydrophobicContact CG1-CG1 4.37Å; V777-I779 PolarHBondContact O-N 2.91Å; I779-L781 HydrophobicContact CG2-CD1 3.93Å; I779-L781 PolarHBondContact O-N 2.81Å; I779-L781 VanDerWaalsContact O-N 3.13Å
780	K	23.8	Very low	25.1	Very low	187 Å²	187	129.4 Å²	129.4	81%	0.813	72%	0.721	S	S	*	*			trans	-79.3	91.9	170.6	-161.8	175	-174.5	177.8	0	109	S778 V782	S778-K780 PolarHBondContact O-N 2.82Å; S778-K780 VanDerWaalsContact O-N 3.14Å; K780-V782 PolarHBondContact O-N 3.38Å
781	L	24.4	Very low	25.2	Very low	144 Å²	144	128.6 Å²	128.6	75%	0.754	72%	0.718	S	S	*	*			trans	-63.1	104.7	164.9	-99.4	97.2	0	0	0	108.1	I779 N783	I779-L781 HydrophobicContact CG2-CD1 3.93Å; I779-L781 PolarHBondContact O-N 2.81Å; I779-L781 VanDerWaalsContact O-N 3.13Å; L781-N783 PolarHBondContact O-N 3.5Å
782	V	25.9	Very low	25.1	Very low	120 Å²	120	127.6 Å²	127.6	73%	0.727	72%	0.715	S	S	*	*			trans	-75	90.5	163.8	-173.1	0	0	0	0	105.8	K780 L784	K780-V782 PolarHBondContact O-N 3.38Å; V782-L784 VanDerWaalsContact C-N 3.32Å; V782-L784 PolarHBondContact O-N 3.14Å
783	N	25.3	Very low	25	Very low	127 Å²	127	130.5 Å²	130.5	68%	0.679	73%	0.727	S	S	*	*			trans	-66.7	98.5	169	-153	17.6	0	0	0	105.9	L781 Q785	L781-N783 PolarHBondContact O-N 3.5Å; N783-Q785 VanDerWaalsContact C-N 3.33Å; N783-Q785 PolarHBondContact O-N 3.23Å
784	L	26.3	Very low	25.2	Very low	156 Å²	156	131.3 Å²	131.3	82%	0.817	73%	0.725	S	S	*	*			trans	-55.4	107.5	160.5	-81.4	147	0	0	0	104.4	V782 P786	V782-L784 VanDerWaalsContact C-N 3.32Å; V782-L784 PolarHBondContact O-N 3.14Å; L784-P786 WeakPolarHBondContact O-CD 3.44Å
785	Q	25.8	Very low	25.2	Very low	178 Å²	178	131.6 Å²	131.6	83%	0.832	73%	0.726	S	S	*	*			trans	-45.9	109.5	177.6	-90.2	175.1	-32.3	0	0	106.9	N783 L787	N783-Q785 VanDerWaalsContact C-N 3.33Å; N783-Q785 PolarHBondContact O-N 3.23Å; Q785-L787 PolarHBondContact O-N 3.05Å
786	P	30.4	Very low	25.2	Very low	81 Å²	81	132.8 Å²	132.8	53%	0.526	73%	0.734	S	S	.	*			trans	-58.8	130	157.7	6.7	6.2	0	0	0	103.1	L784 C788	L784-P786 WeakPolarHBondContact O-CD 3.44Å; P786-C788 PolarHBondContact O-N 3.34Å
787	L	26	Very low	25.2	Very low	177 Å²	177	130.6 Å²	130.6	93%	0.927	73%	0.733	S	S	*	*			trans	-58.4	82.3	167.1	-78.2	118.6	0	0	0	107.1	Q785 C789	Q785-L787 PolarHBondContact O-N 3.05Å; L787-C789 VanDerWaalsContact C-N 3.3Å; L787-C789 PolarHBondContact O-N 3.39Å; L787-C789 VanDerWaalsContact O-N 3.09Å
788	C	26.5	Very low	25.2	Very low	97 Å²	97	132 Å²	132	66%	0.655	75%	0.747	S	S	*	*			trans	-77.7	93.3	170.6	-73.5	0	0	0	0	104.2	P786 Q790	P786-C788 PolarHBondContact O-N 3.34Å; C788-Q790 PolarHBondContact O-N 3.33Å
789	C	25.2	Very low	25.2	Very low	127 Å²	127	133.9 Å²	133.9	86%	0.858	76%	0.755	S	S	*	*			trans	-55	88.4	138.9	-64.5	0	0	0	0	105.4	L787 P791	L787-C789 VanDerWaalsContact C-N 3.3Å; L787-C789 PolarHBondContact O-N 3.39Å; L787-C789 VanDerWaalsContact O-N 3.09Å; C789-P791 WeakPolarHBondContact O-CD 3.38Å
790	Q	25.9	Very low	25.2	Very low	162 Å²	162	138.3 Å²	138.3	76%	0.757	77%	0.77	S	S	*	*			trans	-63.2	119.9	177.2	-169.2	173.5	-7.7	0	0	105.8	C788 C792	C788-Q790 PolarHBondContact O-N 3.33Å; Q790-C792 PolarHBondContact O-N 2.93Å; Q790-C792 VanDerWaalsContact O-N 3.16Å
791	P	26.8	Very low	25.2	Very low	100 Å²	100	136.2 Å²	136.2	65%	0.649	77%	0.766	S	S	*	*			trans	-61.9	123.2	174.5	25.2	-30.1	0	0	0	107.3	C789 D793	C789-P791 WeakPolarHBondContact O-CD 3.38Å; P791-D793 PolarHBondContact O-N 2.89Å
792	C	22.5	Very low	25.3	Very low	122 Å²	122	137.3 Å²	137.3	82%	0.824	77%	0.771	S	S	*	*			trans	-68.3	79.6	172.5	-67.1	0	0	0	0	109.2	Q790	Q790-C792 PolarHBondContact O-N 2.93Å; Q790-C792 VanDerWaalsContact O-N 3.16Å
793	D	25	Very low	25.2	Very low	145 Å²	145	135.9 Å²	135.9	78%	0.775	77%	0.767	S	S	*	*			trans	-105	95.9	165.7	-79.2	-32.3	0	0	0	109.7	P791 F795	P791-D793 PolarHBondContact O-N 2.89Å; D793-F795 PolarHBondContact O-N 2.65Å; D793-F795 VanDerWaalsContact O-N 3.13Å
794	I	28.8	Very low	25.2	Very low	151 Å²	151	138.4 Å²	138.4	77%	0.774	77%	0.772	S	S	*	*			trans	-34.1	105.6	151.4	-60.3	155	0	0	0	109
795	F	22.6	Very low	25.6	Very low	180 Å²	180	136.1 Å²	136.1	79%	0.789	77%	0.766	S	S	*	*			trans	-168	118.2	148.6	-94.3	-69.1	0	0	0	110.2	D793	D793-F795 PolarHBondContact O-N 2.65Å; D793-F795 VanDerWaalsContact O-N 3.13Å
796	T	23.7	Very low	25.6	Very low	135 Å²	135	132.8 Å²	132.8	83%	0.828	75%	0.754	S	S	*	*			trans	63.7	114.8	148.3	55.8	0	0	0	0	116.8
797	G	22	Very low	25.4	Very low	71 Å²	71	135.6 Å²	135.6	73%	0.732	77%	0.765	S	S	*	*			cis	124.2	104.9	35.4	0	0	0	0	0	107.5
798	S	24.5	Very low	25.4	Very low	113 Å²	113	133.2 Å²	133.2	79%	0.79	76%	0.758	S	S	*	*			trans	144.8	74.4	157	56.9	0	0	0	0	111.5	K800	S798-K800 PolarHBondContact O-N 2.79Å
799	T	24.3	Very low	25.4	Very low	118 Å²	118	134.7 Å²	134.7	72%	0.724	76%	0.763	S	S	*	*				4.4	113.8	128.6	48.8	0	0	0	0	116.4	I801	T799-I801 HydrophobicContact CG2-CD1 4.46Å; T799-I801 HydrophobicContact CG2-CG1 4.38Å
800	K	23.7	Very low	25.4	Very low	214 Å²	214	135.3 Å²	135.3	93%	0.93	76%	0.757	S	S	*	*			trans	-118.2	98.6	133.6	-117	-178.4	-178.2	-179.4	0	107.5	S798 L802	S798-K800 PolarHBondContact O-N 2.79Å; K800-L802 PolarHBondContact O-N 2.8Å
801	I	24	Very low	25.2	Very low	142 Å²	142	135.6 Å²	135.6	73%	0.728	76%	0.758	S	S	*	*			trans	-65.9	122.2	173.4	-63.3	159.1	0	0	0	107	T799	T799-I801 HydrophobicContact CG2-CD1 4.46Å; T799-I801 HydrophobicContact CG2-CG1 4.38Å
802	L	25.7	Very low	25	Very low	167 Å²	167	136.2 Å²	136.2	87%	0.874	76%	0.763	S	S	*	*			trans	-137.2	98.2	148	-155.6	66.1	0	0	0	108.3	K800	K800-L802 PolarHBondContact O-N 2.8Å
803	S	24.1	Very low	25	Very low	91 Å²	91	139 Å²	139	64%	0.636	77%	0.765	S	S	*	*			trans	-22.4	124.6	166.7	45.5	0	0	0	0	117.9
804	K	25.7	Very low	24.9	Very low	180 Å²	180	143.2 Å²	143.2	78%	0.783	77%	0.771	S	S	*	*				38.1	159.6	120	-84.2	-161.7	175.5	-149.4	0	120.5	D806	K804-D806 IonicContact NZ-OD1 3.48Å; K804-D806 PolarHBondContact NZ-OD1 3.34Å
805	P	33.6	Very low	24.9	Very low	108 Å²	108	144.5 Å²	144.5	70%	0.701	78%	0.779	S	S	*	*			cis	-128.5	172.9	13.1	15.4	11.3	0	0	0	112.4
806	D	27	Very low	25.1	Very low	108 Å²	108	143 Å²	143	58%	0.578	78%	0.779	S	S	*	*			cis	-158	153.3	-4.9	-92.1	-32.4	0	0	0	106.1	K804	K804-D806 IonicContact NZ-OD1 3.48Å; K804-D806 PolarHBondContact NZ-OD1 3.34Å
807	D	25.7	Very low	25.3	Very low	139 Å²	139	143.7 Å²	143.7	74%	0.743	78%	0.777	S	S	*	*			trans	64.2	76	155.8	-55.7	-16.1	0	0	0	121
808	T	26.7	Very low	25.4	Very low	128 Å²	128	147.6 Å²	147.6	79%	0.785	78%	0.782	S	S	*	*			trans	-133.1	85.7	138.4	56	0	0	0	0	109.6	I810	T808-I810 PolarHBondContact O-N 2.86Å
809	V	25.3	Very low	25.6	Very low	127 Å²	127	147.5 Å²	147.5	77%	0.77	78%	0.78	S	S	*	*			trans	-68	104.1	160.8	177.5	0	0	0	0	106.4	E811	V809-E811 PolarHBondContact O-N 2.88Å
810	I	26.2	Very low	25.5	Very low	140 Å²	140	150 Å²	150	72%	0.718	79%	0.787	S	S	*	*			trans	-86.1	93.1	169.6	-57.9	173.9	0	0	0	105.9	T808 C812	T808-I810 PolarHBondContact O-N 2.86Å; I810-C812 PolarHBondContact O-N 2.92Å
811	E	20.7	Very low	25.5	Very low	169 Å²	169	149.1 Å²	149.1	79%	0.79	78%	0.779	S	S	*	*			trans	-67.4	110.7	166.3	-110.2	177.3	166.6	0	0	108.5	V809 E813	V809-E811 PolarHBondContact O-N 2.88Å; E811-E813 PolarHBondContact O-N 2.81Å
812	C	22.9	Very low	25.7	Very low	112 Å²	112	148 Å²	148	76%	0.757	78%	0.781	S	S	*	*			trans	-73.4	89.6	168.5	-68.8	0	0	0	0	108.7	I810 Y814	I810-C812 PolarHBondContact O-N 2.92Å; C812-Y814 PolarHBondContact O-N 2.9Å
813	E	22	Very low	25.7	Very low	182 Å²	182	147.2 Å²	147.2	85%	0.85	78%	0.776	S	S	*	*			trans	-65.5	125.8	169.1	-106.7	-175.3	159.3	0	0	110.5	E811 L815	E811-E813 PolarHBondContact O-N 2.81Å; E813-L815 PolarHBondContact O-N 3.33Å
814	Y	24.6	Very low	25.7	Very low	232 Å²	232	151.7 Å²	151.7	91%	0.91	79%	0.787	S	S	*	*			trans	-59.7	113.7	-175.3	-76.6	-104	0	0	0	112.7	C812 N816	C812-Y814 PolarHBondContact O-N 2.9Å; Y814-N816 PolarHBondContact O-N 3.16Å
815	L	28.6	Very low	25.8	Very low	179 Å²	179	149.2 Å²	149.2	94%	0.937	79%	0.787	S	S	*	*			trans	-79.7	86.5	166.1	-90.7	155.2	0	0	0	110.6	E813	E813-L815 PolarHBondContact O-N 3.33Å
816	N	25.6	Very low	25.5	Very low	149 Å²	149	150.4 Å²	150.4	80%	0.797	79%	0.793	S	S	*	*			trans	39.3	108.6	146.7	-131.2	-2.8	0	0	0	119	Y814 N818	Y814-N816 PolarHBondContact O-N 3.16Å; N816-N818 PolarHBondContact O-N 2.87Å
817	N	28	Very low	25.5	Very low	148 Å²	148	148.9 Å²	148.9	79%	0.791	80%	0.803	S	S	*	*	S	Bend	trans	-55.3	119.9	165.1	-73.4	-26.1	0	0	0	111.2
818	N	25.2	Very low	25.6	Very low	153 Å²	153	147.6 Å²	147.6	82%	0.818	80%	0.804	S	S	*	*			trans	135	84.2	152.5	-69	-16.8	0	0	0	111.5	N816	N816-N818 PolarHBondContact O-N 2.87Å
819	C	27.5	Very low	25.5	Very low	112 Å²	112	148.2 Å²	148.2	76%	0.757	81%	0.807	S	S	*	*			trans	179.5	86.7	142	-93.9	0	0	0	0	109.2
820	I	23.5	Very low	25.6	Very low	169 Å²	169	147.8 Å²	147.8	87%	0.867	81%	0.805	S	S	*	*			trans	-85.5	108.7	164.2	-60.3	169.1	0	0	0	106
821	Y	23.2	Very low	25.4	Very low	197 Å²	197	149.3 Å²	149.3	77%	0.773	81%	0.806	S	S	*	*			trans	-109.8	127.5	161.6	-82.6	-81.7	0	0	0	108.8
822	P	27.4	Very low	25.6	Very low	119 Å²	119	147.6 Å²	147.6	77%	0.773	80%	0.802	S	S	*	*			trans	-70.3	131.2	179.2	27.3	-31.3	0	0	0	110.8
823	I	25.9	Very low	25.6	Very low	150 Å²	150	149.2 Å²	149.2	77%	0.769	80%	0.798	S	S	*	*			trans	-83.5	112.7	-179.4	-61.8	168.3	0	0	0	108.9	T825	I823-T825 HydrophobicContact CG2-CG2 4.08Å; I823-T825 PolarHBondContact O-N 3.3Å
824	E	23.8	Very low	25.7	Very low	185 Å²	185	146.1 Å²	146.1	86%	0.864	79%	0.791	S	S	*	*			trans	-77	109.5	160.5	-79.3	-174.3	161	0	0	109	T826	E824-T826 PolarHBondContact O-N 3.06Å; E824-T826 VanDerWaalsContact O-N 3.11Å
825	T	29.2	Very low	25.7	Very low	128 Å²	128	139.3 Å²	139.3	79%	0.785	77%	0.774	S	S	*	*			trans	-76.7	91.7	-178.9	45	0	0	0	0	110.8	I823 G827	I823-T825 HydrophobicContact CG2-CG2 4.08Å; I823-T825 PolarHBondContact O-N 3.3Å; T825-G827 PolarHBondContact O-N 3.13Å
826	T	26.6	Very low	25.6	Very low	133 Å²	133	134.7 Å²	134.7	82%	0.816	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-72.9	121.7	163.9	44.3	0	0	0	0	109	E824 S828	E824-T826 PolarHBondContact O-N 3.06Å; E824-T826 VanDerWaalsContact O-N 3.11Å; T826-S828 PolarHBondContact O-N 3.26Å
827	G	27.4	Very low	25.8	Very low	76 Å²	76	132.9 Å²	132.9	78%	0.784	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-51.5	120.3	-171.5	0	0	0	0	0	113.4	T825 V829	T825-G827 PolarHBondContact O-N 3.13Å; G827-V829 PolarHBondContact O-N 3.07Å
828	S	28.2	Very low	25.8	Very low	111 Å²	111	131.1 Å²	131.1	78%	0.776	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-77.2	116.7	176.8	40.8	0	0	0	0	110.6	T826 V830	T826-S828 PolarHBondContact O-N 3.26Å; S828-V830 PolarHBondContact O-N 3.4Å
829	V	24.8	Very low	26.1	Very low	141 Å²	141	129.1 Å²	129.1	86%	0.855	74%	0.744	S	S	*	*			trans	-76.4	109.7	170.4	179.1	0	0	0	0	108.3	G827 K831	G827-V829 PolarHBondContact O-N 3.07Å; V829-K831 PolarHBondContact O-N 3.47Å
830	V	25.7	Very low	26.2	Very low	119 Å²	119	126.7 Å²	126.7	72%	0.721	74%	0.738	S	S	*	*			trans	-77.4	115.1	175.9	-179.9	0	0	0	0	109.1	S828	S828-V830 PolarHBondContact O-N 3.4Å
831	K	23.6	Very low	26.3	Very low	171 Å²	171	129.9 Å²	129.9	74%	0.743	74%	0.741	S	S	*	*			trans	-91	105.6	175.2	-162.7	177.1	-176.1	-178.3	0	109.8	V829 H833	V829-K831 PolarHBondContact O-N 3.47Å; K831-H833 PolarHBondContact O-N 3.18Å
832	L	23.1	Very low	26.6	Very low	134 Å²	134	124.3 Å²	124.3	70%	0.702	74%	0.743	S	S	*	*			trans	-71.4	121.5	173.3	-91.5	131.7	0	0	0	110.5
833	H	23.4	Very low	26.8	Very low	146 Å²	146	131.5 Å²	131.5	68%	0.676	77%	0.766	S	S	*	*			trans	-102.4	110.1	166.8	-87.1	-101	0	0	0	108.7	K831	K831-H833 PolarHBondContact O-N 3.18Å
834	V	23.5	Very low	26.9	Very low	116 Å²	116	130.6 Å²	130.6	70%	0.703	77%	0.766	S	S	*	*			trans	-87.7	111.3	168.8	-177.9	0	0	0	0	106.8	V777	V777-V834 HydrophobicContact CG1-CG1 4.17Å
835	V	26.1	Very low	27.1	Very low	89 Å²	89	127.7 Å²	127.7	54%	0.539	76%	0.761	S	S	.	*			trans	-104.6	113.8	172.6	-175.6	0	0	0	0	106.3
836	S	25	Very low	26.9	Very low	82 Å²	82	127.7 Å²	127.7	57%	0.573	76%	0.76	S	S	*	*			trans	-87.7	116.2	168.6	65.5	0	0	0	0	108.3	S838	S836-S838 PolarHBondContact O-N 3.31Å
837	D	30.6	Very low	27	Very low	112 Å²	112	127.4 Å²	127.4	60%	0.599	76%	0.756	S	S	*	*			trans	-72.4	79.6	172.1	-67.7	-30.2	0	0	0	109.1	S839	D837-S839 PolarHBondContact O-N 3.49Å
838	S	28.2	Very low	26.9	Very low	111 Å²	111	130.6 Å²	130.6	78%	0.776	76%	0.755	S	S	*	*			trans	-89.6	62.1	167.8	68.2	0	0	0	0	109.3	S836	S836-S838 PolarHBondContact O-N 3.31Å
839	S	31.3	Very low	26.9	Very low	110 Å²	110	131.9 Å²	131.9	77%	0.769	75%	0.753	S	S	*	*			trans	-101.7	92.3	166.3	60.1	0	0	0	0	109.3	D837	D837-S839 PolarHBondContact O-N 3.49Å
840	G	28.9	Very low	27	Very low	62 Å²	62	131.2 Å²	131.2	64%	0.639	75%	0.746	S	S	*	*			trans	84.9	85.1	151.1	0	0	0	0	0	117.1
841	Y	26.4	Very low	27.1	Very low	236 Å²	236	132.2 Å²	132.2	93%	0.925	75%	0.748	S	S	*	*				-141.5	121	128.6	-92	-82.5	0	0	0	106.5	E843	Y841-E843 PolarHBondContact O-N 3.48Å
842	G	29.1	Very low	27.4	Very low	79 Å²	79	128.9 Å²	128.9	81%	0.814	75%	0.748	S	S	*	*			trans	-75.9	110.6	173.1	0	0	0	0	0	109.5
843	E	33.1	Very low	27.8	Very low	270 Å²	270	128.5 Å²	128.5	100%	1.262	75%	0.752	S	S	*	*				-171.8	0	128.9	-102.3	-178.6	178	0	0	109.1	Y841	Y841-E843 PolarHBondContact O-N 3.48Å

Retrieved 843 of 843 residues in 164.5 ms (Link to these results)

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