A0A5K4F0S4_SCHMA Loading...

Vinculin

AlphaFold DB , UniProt , Accession A0A5K4F0S4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 982 aa.

						>A0A5K4F0S4_SCHMA|A0A5K4F0S4
MSEVRKIIRHCRRVLSVLATAEHVSSLTGLADFVKRLTPCMADMIKEVDNRQEELTIQSHSALLLRGIEQVKRLTPILISSLKLHVNTHQNHLPGAAESQANRDFLLSEMSSEIHEIIRGLQLTETDSSELFDDDLAAMHMNKAAFDSRLQFVSDWISDSNCSVAMTAGEKALNQVLNSAKNLANLNQTSSNSKAIIHLCDELNDYAQSLIHLRRSGHGNGSEANHIANTLSTKLNQLSRLCKDLSLRDNTGGGVGDQQHHTCNPLFRLARTLEGKLVQAQRWLADPRGPLRHVGLEACRSLAQGARSIIMSSDSGDVPDNNNNNSSTEDKETNDACVEACEHVERVSDRLFSMSSQPLTAENEINQQDLAMAISRSLAYIWQTLEKLLTRQIAEVYTDLVGPLRQLFESASPSSGNLPDQNDYNVKMKEFLNQCNQLVNTGELAAATKLSDVWRSDALRCLTSQLNELGAQVVLAGRAVVLSADPNLQLQPGGASLKQATSDHFLMMRQHWTDTAERMRALVDEAVDANAFIAAQEIGMLRDSARTENSIAAISTTGVVESTTRIARRANRVLQLITREADNSEDPLYVDRMNEAVKALRSTITPMVNDAKGLVTNIDDPKMHNQWRLSNRNLLTAINSIKQVISPSFNNPINYYHEHYHHHPLSVHKNGIHSTNTSISSNSCNNIHNNNNNSVASSKSSQASNNKEITSSIPLREMQEISITDDDRQQQSGTISLDNTTDDTVATSTTTTTTTTAGVPVRTSTPDTEVDEEFNFPPPEENQPIMAAAHALHHETRLWSSRDNELIAATKRMAALMAQLSQIVRGEYGTKKDLINVSMAIAEASLDVNQCAKVLAKECTDRRIRSNLLHLSDRILTIGNQLKILSTVKATMLGTQDDSWFGAPLQSELDCGSTEDQENTESLVGNAQNLMQSVIETLHVAEGASIKMRVHSGYKFIWNPRNKSNLNYNNNTNNKQIYSIVR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	71.1	Confident	89.1	Confident	162 Å²	162	70.9 Å²	70.9	80%	0.798	33%	0.326	S	S	*	.				0	-56.9	0	-90.1	-70.9	-142.7	0	0	114.3	V4 R5	M1-V4 PolarHBondContact O-N 3.15Å; M1-R5 WeakPolarHBondContact O-CG 3.34Å; M1-R5 PolarHBondContact O-N 3.07Å
2	S	82.2	Confident	89.1	Confident	72 Å²	72	77.8 Å²	77.8	50%	0.503	35%	0.347	S	S	.	.	H	α-helix	trans	-60.2	-45.9	179.8	48.5	0	0	0	0	113.3	R5 K6	S2-R5 PolarHBondContact O-N 3.15Å; S2-K6 PolarHBondContact O-N 3.18Å; S2-K6 VanDerWaalsContact O-N 3.11Å
3	E	88.2	Confident	89.4	Confident	102 Å²	102	83 Å²	83	48%	0.477	36%	0.363	S	S	.	.	H	α-helix	trans	-61.5	-48.7	176.3	-68.1	-52.1	128.3	0	0	111.7	R5 K6 I7	E3-R5 VanDerWaalsContact C-N 3.28Å; E3-R5 PolarHBondContact O-N 3.07Å; E3-K6 WeakPolarHBondContact O-CA 3.31Å; E3-K6 WeakPolarHBondContact O-CB 3.28Å; E3-K6 PolarHBondContact O-N 3.1Å; E3-I7 WeakPolarHBondContact O-CG1 3.42Å; E3-I7 PolarHBondContact O-N 3.34Å
4	V	89.7	Confident	89.8	Confident	17 Å²	17	77.1 Å²	77.1	10%	0.103	34%	0.337	C	S	.	.	H	α-helix	trans	-52.8	-45.6	174.5	173.1	0	0	0	0	111.5	M1 K6 I7 I8 L121	M1-V4 PolarHBondContact O-N 3.15Å; V4-K6 PolarHBondContact O-N 3.23Å; V4-I7 PolarHBondContact O-N 3.1Å; V4-I8 HydrophobicContact CG1-CD1 3.72Å; V4-I8 HydrophobicContact CG1-CG1 4.36Å; V4-I8 VanDerWaalsContact O-CG1 3.28Å; V4-I8 WeakPolarHBondContact O-CG1 3.37Å; V4-I8 PolarHBondContact O-N 2.75Å; V4-L121 HydrophobicContact CG1-CB 4.29Å; V4-L121 WeakPolarHBondContact CG1-O 3.34Å
5	R	89.4	Confident	89.7	Confident	142 Å²	142	73.4 Å²	73.4	54%	0.536	32%	0.322	S	S	.	.	H	α-helix	trans	-63.9	-26.5	175.6	-71.9	-171.7	-66.5	-110.4	6	113.5	M1 S2 E3 R9	M1-R5 WeakPolarHBondContact O-CG 3.34Å; M1-R5 PolarHBondContact O-N 3.07Å; S2-R5 PolarHBondContact O-N 3.15Å; E3-R5 VanDerWaalsContact C-N 3.28Å; E3-R5 PolarHBondContact O-N 3.07Å; R5-R9 WeakPolarHBondContact O-CG 3.25Å; R5-R9 PolarHBondContact O-N 3.02Å; R5-R9 PolarHBondContact O-NE 3.41Å
6	K	93.3	Very high	89.7	Confident	72 Å²	72	73.8 Å²	73.8	31%	0.313	34%	0.337	S	S	.	.	H	α-helix	trans	-73.2	-47.1	173.8	-173.3	-171	165.7	-133.2	0	110.5	S2 E3 V4 I8 R9 H10 E47	S2-K6 PolarHBondContact O-N 3.18Å; S2-K6 VanDerWaalsContact O-N 3.11Å; E3-K6 WeakPolarHBondContact O-CA 3.31Å; E3-K6 WeakPolarHBondContact O-CB 3.28Å; E3-K6 PolarHBondContact O-N 3.1Å; V4-K6 PolarHBondContact O-N 3.23Å; K6-I8 PolarHBondContact O-N 3Å; K6-R9 VanDerWaalsContact CA-NH2 3.33Å; K6-R9 WeakPolarHBondContact O-CB 3.36Å; K6-R9 PolarHBondContact O-N 3.45Å; K6-R9 VanDerWaalsContact O-N 3.11Å; K6-H10 PolarHBondContact O-CD2 3.46Å; K6-H10 VanDerWaalsContact O-CD2 3.29Å; K6-H10 PolarHBondContact O-N 3.01Å; K6-E47 IonicContact NZ-OE2 3.16Å; K6-E47 PolarHBondContact NZ-OE2 3.4Å
7	I	94.3	Very high	89.8	Confident	6 Å²	6	70.5 Å²	70.5	3%	0.031	32%	0.324	C	S	.	.	H	α-helix	trans	-61.9	-45.1	177.9	-54.3	170.7	0	0	0	110.5	E3 V4 R9 H10 C11 E47 V48 R51 L121	E3-I7 WeakPolarHBondContact O-CG1 3.42Å; E3-I7 PolarHBondContact O-N 3.34Å; V4-I7 PolarHBondContact O-N 3.1Å; I7-R9 PolarHBondContact O-N 2.72Å; I7-H10 WeakPolarHBondContact O-CA 3.44Å; I7-H10 WeakPolarHBondContact O-CB 3.39Å; I7-H10 PolarHBondContact O-N 3.26Å; I7-C11 PolarHBondContact O-N 3.23Å; I7-C11 VanDerWaalsContact O-N 3.11Å; I7-C11 PolarHBondContact O-SG 3.3Å; I7-E47 HydrophobicContact CG1-CB 4.26Å; I7-E47 HydrophobicContact CG2-CB 4.26Å; I7-V48 HydrophobicContact CG2-CG2 3.75Å; I7-R51 HydrophobicContact CD1-CB 3.61Å; I7-R51 HydrophobicContact CD1-CG 3.81Å; I7-L121 HydrophobicContact CB-CD1 4.12Å; I7-L121 HydrophobicContact CD1-CD2 4.17Å; I7-L121 HydrophobicContact CG2-CD1 3.47Å; I7-L121 VanDerWaalsContact CG2-CD1 3.47Å; I7-L121 HydrophobicContact CG2-CD2 4.05Å; I7-L121 HydrophobicContact CG2-CG 4.43Å
8	I	90.5	Very high	89.9	Confident	9 Å²	9	66.9 Å²	66.9	5%	0.046	31%	0.307	C	S	.	.	H	α-helix	trans	-58.9	-32.6	176.5	-68.6	171.1	0	0	0	112	V4 K6 H10 C11 R12 I118 L121 Q122	V4-I8 HydrophobicContact CG1-CD1 3.72Å; V4-I8 HydrophobicContact CG1-CG1 4.36Å; V4-I8 VanDerWaalsContact O-CG1 3.28Å; V4-I8 WeakPolarHBondContact O-CG1 3.37Å; V4-I8 PolarHBondContact O-N 2.75Å; K6-I8 PolarHBondContact O-N 3Å; I8-H10 VanDerWaalsContact C-N 3.34Å; I8-C11 PolarHBondContact O-N 3.47Å; I8-R12 HydrophobicContact CG2-CG 4.3Å; I8-R12 WeakPolarHBondContact O-CB 3.22Å; I8-R12 WeakPolarHBondContact O-CG 3.11Å; I8-R12 PolarHBondContact O-N 3.05Å; I8-I118 HydrophobicContact CD1-CG2 4.39Å; I8-I118 HydrophobicContact CG1-CG2 4.27Å; I8-I118 HydrophobicContact CG2-CG2 4.31Å; I8-L121 HydrophobicContact CG1-CD1 4.27Å; I8-Q122 HydrophobicContact CD1-CG 3.61Å
9	R	92.9	Very high	89.7	Confident	155 Å²	155	64.7 Å²	64.7	59%	0.585	30%	0.302	S	S	*	.	H	α-helix	trans	-65.1	-36.7	174	-80.8	176.8	-81.3	140.6	-11.4	112.1	R5 K6 I7 R13	R5-R9 WeakPolarHBondContact O-CG 3.25Å; R5-R9 PolarHBondContact O-N 3.02Å; R5-R9 PolarHBondContact O-NE 3.41Å; K6-R9 VanDerWaalsContact CA-NH2 3.33Å; K6-R9 WeakPolarHBondContact O-CB 3.36Å; K6-R9 PolarHBondContact O-N 3.45Å; K6-R9 VanDerWaalsContact O-N 3.11Å; I7-R9 PolarHBondContact O-N 2.72Å; R9-R13 WeakPolarHBondContact O-CB 3.25Å; R9-R13 PolarHBondContact O-N 3.45Å
10	H	94.7	Very high	89.7	Confident	43 Å²	43	64.2 Å²	64.2	20%	0.199	30%	0.303	C	S	.	.	H	α-helix	trans	-63.8	-46	172	-70.6	-83.8	0	0	0	111.1	K6 I7 I8 R12 R13 V14 M44	K6-H10 PolarHBondContact O-CD2 3.46Å; K6-H10 VanDerWaalsContact O-CD2 3.29Å; K6-H10 PolarHBondContact O-N 3.01Å; I7-H10 WeakPolarHBondContact O-CA 3.44Å; I7-H10 WeakPolarHBondContact O-CB 3.39Å; I7-H10 PolarHBondContact O-N 3.26Å; I8-H10 VanDerWaalsContact C-N 3.34Å; H10-R12 PolarHBondContact O-N 2.76Å; H10-R13 WeakPolarHBondContact O-CB 3.45Å; H10-R13 PolarHBondContact O-N 3.11Å; H10-R13 VanDerWaalsContact O-N 3.16Å; H10-V14 PolarHBondContact O-N 3.09Å; H10-V14 VanDerWaalsContact O-N 3.12Å; H10-M44 HydrophobicContact CB-CB 4.33Å
11	C	93.5	Very high	89.7	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-58.2	-47.7	176.5	-56.5	0	0	0	0	112.4	I7 I8 R13 V14 L15 M44 I114 I118	I7-C11 PolarHBondContact O-N 3.23Å; I7-C11 VanDerWaalsContact O-N 3.11Å; I7-C11 PolarHBondContact O-SG 3.3Å; I8-C11 PolarHBondContact O-N 3.47Å; C11-R13 VanDerWaalsContact C-N 3.28Å; C11-R13 PolarHBondContact O-N 3.12Å; C11-V14 PolarHBondContact O-N 3.23Å; C11-V14 VanDerWaalsContact O-N 3.15Å; C11-L15 PolarHBondContact O-N 3.24Å; C11-M44 HydrophobicContact CB-SD 4.2Å; C11-I114 HydrophobicContact CB-CG2 3.83Å; C11-I118 HydrophobicContact CB-CD1 3.69Å; C11-I118 HydrophobicContact CB-CG1 3.5Å
12	R	89.5	Confident	90.3	Very high	153 Å²	153	56.4 Å²	56.4	58%	0.577	27%	0.265	S	S	*	.	H	α-helix	trans	-62.8	-33.8	177.3	-73.1	179.8	-179.1	166.8	0.7	112.9	I8 H10 L15 S16 I118	I8-R12 HydrophobicContact CG2-CG 4.3Å; I8-R12 WeakPolarHBondContact O-CB 3.22Å; I8-R12 WeakPolarHBondContact O-CG 3.11Å; I8-R12 PolarHBondContact O-N 3.05Å; H10-R12 PolarHBondContact O-N 2.76Å; R12-L15 PolarHBondContact O-N 2.77Å; R12-S16 WeakPolarHBondContact O-CB 3.33Å; R12-S16 PolarHBondContact O-N 3.45Å; R12-I118 HydrophobicContact CG-CD1 4.46Å
13	R	93.1	Very high	90.4	Very high	146 Å²	146	58.5 Å²	58.5	55%	0.551	27%	0.267	S	S	*	.	H	α-helix	trans	-63.8	-42.7	174.4	-171.5	178.1	-177.3	-175.5	-0.2	111.3	R9 H10 C11 S16 V17	R9-R13 WeakPolarHBondContact O-CB 3.25Å; R9-R13 PolarHBondContact O-N 3.45Å; H10-R13 WeakPolarHBondContact O-CB 3.45Å; H10-R13 PolarHBondContact O-N 3.11Å; H10-R13 VanDerWaalsContact O-N 3.16Å; C11-R13 VanDerWaalsContact C-N 3.28Å; C11-R13 PolarHBondContact O-N 3.12Å; R13-S16 PolarHBondContact O-N 2.79Å; R13-V17 WeakPolarHBondContact O-CG2 3.45Å; R13-V17 PolarHBondContact O-N 3.35Å; R13-V17 VanDerWaalsContact O-N 3.07Å
14	V	94.6	Very high	90.5	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.6	-46.5	175.4	-179.7	0	0	0	0	110.8	H10 C11 S16 V17 L18 L37 C40 M44 I114	H10-V14 PolarHBondContact O-N 3.09Å; H10-V14 VanDerWaalsContact O-N 3.12Å; C11-V14 PolarHBondContact O-N 3.23Å; C11-V14 VanDerWaalsContact O-N 3.15Å; V14-S16 VanDerWaalsContact C-N 3.32Å; V14-S16 PolarHBondContact O-N 2.8Å; V14-V17 PolarHBondContact O-N 2.75Å; V14-V17 VanDerWaalsContact O-N 3.11Å; V14-L18 HydrophobicContact CG1-CD1 4.15Å; V14-L18 HydrophobicContact CG1-CG 4.37Å; V14-L18 WeakPolarHBondContact O-CG 3.43Å; V14-L18 PolarHBondContact O-N 3.08Å; V14-L37 HydrophobicContact CG1-CD1 4.08Å; V14-C40 HydrophobicContact CG2-CB 4.09Å; V14-C40 WeakPolarHBondContact CG2-O 3.48Å; V14-M44 HydrophobicContact CB-SD 4.11Å; V14-M44 HydrophobicContact CG2-CB 3.98Å; V14-M44 HydrophobicContact CG2-CG 4.45Å; V14-M44 HydrophobicContact CG2-SD 3.8Å; V14-I114 HydrophobicContact CB-CD1 4.19Å; V14-I114 HydrophobicContact CG1-CD1 3.51Å
15	L	88.9	Confident	90.4	Very high	22 Å²	22	57.2 Å²	57.2	12%	0.115	27%	0.269	C	S	.	.	H	α-helix	trans	-57.2	-43.1	176.2	-71.6	170.4	0	0	0	112.6	C11 R12 V17 L18 A19 I114 I118	C11-L15 PolarHBondContact O-N 3.24Å; R12-L15 PolarHBondContact O-N 2.77Å; L15-V17 VanDerWaalsContact C-N 3.35Å; L15-V17 PolarHBondContact O-N 2.86Å; L15-L18 PolarHBondContact O-N 2.85Å; L15-A19 PolarHBondContact O-N 3.04Å; L15-I114 HydrophobicContact CD1-CG2 4.03Å; L15-I114 HydrophobicContact CD2-CB 4.06Å; L15-I114 HydrophobicContact CD2-CD1 4.31Å; L15-I114 HydrophobicContact CD2-CG2 4.08Å; L15-I114 HydrophobicContact CG-CB 4.35Å; L15-I114 HydrophobicContact CG-CG2 3.8Å; L15-I118 HydrophobicContact CD1-CD1 3.95Å
16	S	88.7	Confident	90.5	Very high	80 Å²	80	52.4 Å²	52.4	56%	0.559	26%	0.257	S	S	*	.	H	α-helix	trans	-62	-41.4	176	174.7	0	0	0	0	112.1	R12 R13 V14 A19	R12-S16 WeakPolarHBondContact O-CB 3.33Å; R12-S16 PolarHBondContact O-N 3.45Å; R13-S16 PolarHBondContact O-N 2.79Å; V14-S16 VanDerWaalsContact C-N 3.32Å; V14-S16 PolarHBondContact O-N 2.8Å; S16-A19 PolarHBondContact O-N 3Å
17	V	92.2	Very high	90.4	Very high	18 Å²	18	52.8 Å²	52.8	11%	0.109	26%	0.262	C	S	.	.	H	α-helix	trans	-64.2	-46.5	174.9	176.4	0	0	0	0	110.4	R13 V14 L15 A19 T20 F33 R36 L37	R13-V17 WeakPolarHBondContact O-CG2 3.45Å; R13-V17 PolarHBondContact O-N 3.35Å; R13-V17 VanDerWaalsContact O-N 3.07Å; V14-V17 PolarHBondContact O-N 2.75Å; V14-V17 VanDerWaalsContact O-N 3.11Å; L15-V17 VanDerWaalsContact C-N 3.35Å; L15-V17 PolarHBondContact O-N 2.86Å; V17-A19 VanDerWaalsContact C-N 3.27Å; V17-A19 PolarHBondContact O-N 3.41Å; V17-T20 WeakPolarHBondContact O-CB 3.37Å; V17-T20 PolarHBondContact O-N 3.34Å; V17-T20 PolarHBondContact O-OG1 3.28Å; V17-F33 HydrophobicContact CG1-CD2 4.43Å; V17-F33 HydrophobicContact CG1-CE2 4.07Å; V17-F33 WeakPolarHBondContact O-CE2 3.44Å; V17-R36 HydrophobicContact CG1-CB 4.4Å; V17-L37 HydrophobicContact CB-CD1 4.49Å; V17-L37 HydrophobicContact CG1-CB 4.05Å; V17-L37 HydrophobicContact CG1-CD1 4.07Å
18	L	91.9	Very high	90.3	Very high	6 Å²	6	57.5 Å²	57.5	3%	0.031	29%	0.291	C	S	.	.	H	α-helix	trans	-57.6	-38.2	178.3	-70.5	172.9	0	0	0	112.5	V14 L15 T20 A21 F33 L37 L78 L107 M110 I114	V14-L18 HydrophobicContact CG1-CD1 4.15Å; V14-L18 HydrophobicContact CG1-CG 4.37Å; V14-L18 WeakPolarHBondContact O-CG 3.43Å; V14-L18 PolarHBondContact O-N 3.08Å; L15-L18 PolarHBondContact O-N 2.85Å; L18-T20 PolarHBondContact O-N 3.37Å; L18-A21 WeakPolarHBondContact O-CB 3.07Å; L18-A21 PolarHBondContact O-N 2.86Å; L18-F33 HydrophobicContact CD2-CZ 4.45Å; L18-L37 HydrophobicContact CD2-CD1 3.89Å; L18-L37 HydrophobicContact CD2-CD2 4.09Å; L18-L37 HydrophobicContact CG-CD1 4.21Å; L18-L78 HydrophobicContact CD2-CD2 3.85Å; L18-L107 HydrophobicContact CD2-CD2 4.08Å; L18-M110 HydrophobicContact CD1-CB 4.36Å; L18-M110 HydrophobicContact CD1-CG 3.67Å; L18-M110 HydrophobicContact CD2-CG 4.35Å; L18-I114 HydrophobicContact CD1-CD1 3.72Å
19	A	85.8	Confident	90.4	Very high	25 Å²	25	58.1 Å²	58.1	21%	0.207	30%	0.3	C	S	.	.	H	α-helix	trans	-61	-25.5	176.4	0	0	0	0	0	113.2	L15 S16 V17 A21	L15-A19 PolarHBondContact O-N 3.04Å; S16-A19 PolarHBondContact O-N 3Å; V17-A19 VanDerWaalsContact C-N 3.27Å; V17-A19 PolarHBondContact O-N 3.41Å; A19-A21 PolarHBondContact O-N 3.29Å
20	T	89.8	Confident	90.5	Very high	53 Å²	53	51.3 Å²	51.3	33%	0.325	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-75.8	-9.7	175.8	70.8	0	0	0	0	113.6	V17 L18 E22 H23	V17-T20 WeakPolarHBondContact O-CB 3.37Å; V17-T20 PolarHBondContact O-N 3.34Å; V17-T20 PolarHBondContact O-OG1 3.28Å; L18-T20 PolarHBondContact O-N 3.37Å; T20-E22 VanDerWaalsContact C-N 3.28Å; T20-E22 PolarHBondContact O-N 3.17Å; T20-H23 PolarHBondContact O-N 3.49Å; T20-H23 VanDerWaalsContact O-N 3.15Å
21	A	89.5	Confident	90.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-63.2	-29.7	-175.8	0	0	0	0	0	113.6	L18 A19 H23 V24 F33 L82 L107	L18-A21 WeakPolarHBondContact O-CB 3.07Å; L18-A21 PolarHBondContact O-N 2.86Å; A19-A21 PolarHBondContact O-N 3.29Å; A21-H23 PolarHBondContact O-N 3.15Å; A21-V24 WeakPolarHBondContact O-CB 3.42Å; A21-V24 PolarHBondContact O-N 3.18Å; A21-V24 VanDerWaalsContact O-N 3.16Å; A21-F33 HydrophobicContact CB-CE2 3.73Å; A21-F33 HydrophobicContact CB-CZ 3.76Å; A21-L82 HydrophobicContact CB-CD2 4.22Å; A21-L107 HydrophobicContact CB-CD1 3.73Å; A21-L107 HydrophobicContact CB-CD2 3.57Å; A21-L107 HydrophobicContact CB-CG 4.31Å
22	E	83.2	Confident	90.5	Very high	64 Å²	64	54.8 Å²	54.8	30%	0.299	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-61.9	-29.2	177.4	-175.5	170.2	174.9	0	0	112.3	T20 V24 A165 M166	T20-E22 VanDerWaalsContact C-N 3.28Å; T20-E22 PolarHBondContact O-N 3.17Å; E22-V24 VanDerWaalsContact C-N 3.29Å; E22-V24 PolarHBondContact O-N 3.28Å; E22-A165 HydrophobicContact CB-CB 3.97Å; E22-A165 WeakPolarHBondContact OE2-CA 3.22Å; E22-A165 WeakPolarHBondContact OE2-CB 3.45Å; E22-M166 PolarHBondContact OE2-N 3.08Å
23	H	85.2	Confident	90.8	Very high	116 Å²	116	47.5 Å²	47.5	54%	0.537	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-85.2	-1	-178.7	-57.4	95.1	0	0	0	113.3	T20 A21 S25	T20-H23 PolarHBondContact O-N 3.49Å; T20-H23 VanDerWaalsContact O-N 3.15Å; A21-H23 PolarHBondContact O-N 3.15Å; H23-S25 PolarHBondContact O-N 3.13Å
24	V	89.6	Confident	90.9	Very high	12 Å²	12	42.2 Å²	42.2	7%	0.073	26%	0.258	C	S	.	.			trans	-81.3	101.2	-179.7	-179	0	0	0	0	109.3	A21 E22 L30 F33 V86	A21-V24 WeakPolarHBondContact O-CB 3.42Å; A21-V24 PolarHBondContact O-N 3.18Å; A21-V24 VanDerWaalsContact O-N 3.16Å; E22-V24 VanDerWaalsContact C-N 3.29Å; E22-V24 PolarHBondContact O-N 3.28Å; V24-L30 HydrophobicContact CG1-CB 3.75Å; V24-L30 HydrophobicContact CG1-CD1 4.23Å; V24-F33 HydrophobicContact CG2-CB 3.95Å; V24-F33 HydrophobicContact CG2-CD2 4.07Å; V24-F33 HydrophobicContact CG2-CG 4.07Å; V24-V86 HydrophobicContact CG1-CG2 4.02Å; V24-V86 WeakPolarHBondContact O-CG2 3.5Å
25	S	87.7	Confident	90.9	Very high	80 Å²	80	49.2 Å²	49.2	56%	0.559	29%	0.289	S	S	*	.			trans	-112.6	-2.5	-175.9	57.6	0	0	0	0	114.9	H23	H23-S25 PolarHBondContact O-N 3.13Å
26	S	92.5	Very high	91.2	Very high	40 Å²	40	54 Å²	54	28%	0.28	31%	0.305	S	S	.	.	S	Bend	trans	-137.5	154	-179.9	68.6	0	0	0	0	112.7	T28 G29 L30	S26-T28 VanDerWaalsContact C-N 3.26Å; S26-T28 PolarHBondContact O-N 2.93Å; S26-G29 PolarHBondContact O-N 3.35Å; S26-G29 VanDerWaalsContact O-N 3.12Å; S26-G29 PolarHBondContact OG-N 3.2Å; S26-G29 VanDerWaalsContact OG-N 3.16Å; S26-L30 PolarHBondContact O-N 2.75Å
27	L	89.7	Confident	91.5	Very high	81 Å²	81	50.3 Å²	50.3	42%	0.424	28%	0.279	S	S	.	.	H	α-helix	trans	-60	-35.7	179.1	-75.1	165.9	0	0	0	112.6	L30 A31 K83 V86	L27-L30 PolarHBondContact O-N 3.04Å; L27-A31 PolarHBondContact O-N 2.88Å; L27-K83 HydrophobicContact CD2-CG 4.36Å; L27-V86 HydrophobicContact CD2-CG1 4.34Å; L27-V86 HydrophobicContact CG-CG1 4.16Å
28	T	92.6	Very high	91.6	Very high	104 Å²	104	52.7 Å²	52.7	64%	0.638	29%	0.294	S	S	*	.	H	α-helix	trans	-66.7	-45.6	174.4	-46.2	0	0	0	0	110.9	S26 L30 A31 D32	S26-T28 VanDerWaalsContact C-N 3.26Å; S26-T28 PolarHBondContact O-N 2.93Å; T28-L30 PolarHBondContact O-N 3.2Å; T28-A31 WeakPolarHBondContact O-CB 3.45Å; T28-A31 PolarHBondContact O-N 3.26Å; T28-A31 VanDerWaalsContact O-N 3.13Å; T28-D32 PolarHBondContact O-N 2.81Å; T28-D32 VanDerWaalsContact O-N 3.09Å
29	G	93.4	Very high	91.7	Very high	23 Å²	23	55.7 Å²	55.7	24%	0.237	31%	0.314	C	S	.	.	H	α-helix	trans	-60.4	-35.2	175	0	0	0	0	0	112.7	S26 D32 F33	S26-G29 PolarHBondContact O-N 3.35Å; S26-G29 VanDerWaalsContact O-N 3.12Å; S26-G29 PolarHBondContact OG-N 3.2Å; S26-G29 VanDerWaalsContact OG-N 3.16Å; G29-D32 PolarHBondContact O-N 2.67Å; G29-F33 WeakPolarHBondContact O-CB 3.45Å; G29-F33 PolarHBondContact O-N 3.43Å
30	L	94	Very high	92.1	Very high	11 Å²	11	55.1 Å²	55.1	6%	0.058	31%	0.308	C	S	.	.	H	α-helix	trans	-66	-43.6	173.9	178.6	60.9	0	0	0	111.9	V24 S26 L27 T28 D32 F33 V34 L82 K83	V24-L30 HydrophobicContact CG1-CB 3.75Å; V24-L30 HydrophobicContact CG1-CD1 4.23Å; S26-L30 PolarHBondContact O-N 2.75Å; L27-L30 PolarHBondContact O-N 3.04Å; T28-L30 PolarHBondContact O-N 3.2Å; L30-D32 VanDerWaalsContact C-N 3.28Å; L30-D32 PolarHBondContact O-N 2.71Å; L30-F33 HydrophobicContact CD1-CD1 4.29Å; L30-F33 WeakPolarHBondContact O-CB 3.42Å; L30-F33 PolarHBondContact O-N 3.02Å; L30-V34 HydrophobicContact CD1-CG2 4.19Å; L30-V34 HydrophobicContact CG-CG2 4.5Å; L30-V34 WeakPolarHBondContact O-CG2 3.33Å; L30-V34 PolarHBondContact O-N 3.46Å; L30-L82 HydrophobicContact CD1-CB 3.68Å; L30-L82 HydrophobicContact CD1-CD1 4.19Å; L30-L82 HydrophobicContact CD1-CG 4.46Å; L30-L82 HydrophobicContact CD2-CB 4.48Å; L30-K83 HydrophobicContact CD2-CB 3.73Å; L30-K83 HydrophobicContact CD2-CG 4.2Å
31	A	94.1	Very high	92.3	Very high	47 Å²	47	52.9 Å²	52.9	39%	0.388	29%	0.294	S	S	.	.	H	α-helix	trans	-59.9	-40.9	176.6	0	0	0	0	0	111.6	L27 T28 V34 K35	L27-A31 PolarHBondContact O-N 2.88Å; T28-A31 WeakPolarHBondContact O-CB 3.45Å; T28-A31 PolarHBondContact O-N 3.26Å; T28-A31 VanDerWaalsContact O-N 3.13Å; A31-V34 PolarHBondContact O-N 2.65Å; A31-K35 VanDerWaalsContact O-CG 3.31Å; A31-K35 WeakPolarHBondContact O-CG 3.47Å; A31-K35 PolarHBondContact O-N 2.87Å
32	D	94.5	Very high	92.6	Very high	70 Å²	70	55.4 Å²	55.4	37%	0.374	32%	0.315	S	S	.	.	H	α-helix	trans	-69.9	-37.5	176.4	-68.9	-22.2	0	0	0	112.5	T28 G29 L30 K35 R36	T28-D32 PolarHBondContact O-N 2.81Å; T28-D32 VanDerWaalsContact O-N 3.09Å; G29-D32 PolarHBondContact O-N 2.67Å; L30-D32 VanDerWaalsContact C-N 3.28Å; L30-D32 PolarHBondContact O-N 2.71Å; D32-K35 PolarHBondContact O-N 3.49Å; D32-R36 WeakPolarHBondContact O-CG 3.45Å; D32-R36 PolarHBondContact O-N 3.5Å; D32-R36 VanDerWaalsContact O-N 3.12Å
33	F	95.3	Very high	93.2	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-59.4	-48.8	172.2	172.7	-93.1	0	0	0	111.5	V17 L18 A21 V24 G29 L30 K35 R36 L37 L82	V17-F33 HydrophobicContact CG1-CD2 4.43Å; V17-F33 HydrophobicContact CG1-CE2 4.07Å; V17-F33 WeakPolarHBondContact O-CE2 3.44Å; L18-F33 HydrophobicContact CD2-CZ 4.45Å; A21-F33 HydrophobicContact CB-CE2 3.73Å; A21-F33 HydrophobicContact CB-CZ 3.76Å; V24-F33 HydrophobicContact CG2-CB 3.95Å; V24-F33 HydrophobicContact CG2-CD2 4.07Å; V24-F33 HydrophobicContact CG2-CG 4.07Å; G29-F33 WeakPolarHBondContact O-CB 3.45Å; G29-F33 PolarHBondContact O-N 3.43Å; L30-F33 HydrophobicContact CD1-CD1 4.29Å; L30-F33 WeakPolarHBondContact O-CB 3.42Å; L30-F33 PolarHBondContact O-N 3.02Å; F33-K35 PolarHBondContact O-N 2.93Å; F33-R36 PolarHBondContact O-N 2.82Å; F33-R36 VanDerWaalsContact O-N 3.11Å; F33-L37 HydrophobicContact CE1-CB 4.36Å; F33-L37 HydrophobicContact CE1-CD2 3.65Å; F33-L37 HydrophobicContact CZ-CD2 3.9Å; F33-L37 WeakPolarHBondContact O-CB 3.49Å; F33-L37 PolarHBondContact O-N 3.15Å; F33-L82 HydrophobicContact CD1-CD1 4.15Å; F33-L82 HydrophobicContact CE1-CD1 3.6Å; F33-L82 HydrophobicContact CZ-CD1 4.32Å
34	V	95.4	Very high	93.8	Very high	34 Å²	34	50.4 Å²	50.4	21%	0.206	29%	0.294	C	S	.	.	H	α-helix	trans	-61.8	-43.2	178.5	173.2	0	0	0	0	111.1	L30 A31 R36 L37 T38 I79	L30-V34 HydrophobicContact CD1-CG2 4.19Å; L30-V34 HydrophobicContact CG-CG2 4.5Å; L30-V34 WeakPolarHBondContact O-CG2 3.33Å; L30-V34 PolarHBondContact O-N 3.46Å; A31-V34 PolarHBondContact O-N 2.65Å; V34-R36 PolarHBondContact O-N 2.74Å; V34-L37 PolarHBondContact O-N 2.87Å; V34-T38 PolarHBondContact O-N 3.26Å; V34-T38 PolarHBondContact O-OG1 3.36Å; V34-I79 HydrophobicContact CG1-CD1 4.24Å; V34-I79 HydrophobicContact CG2-CD1 4.37Å; V34-I79 HydrophobicContact CG2-CG1 4.18Å; V34-I79 HydrophobicContact CG2-CG2 4.18Å
35	K	95.2	Very high	94.1	Very high	147 Å²	147	51.1 Å²	51.1	64%	0.639	30%	0.297	S	S	*	.	H	α-helix	trans	-59.6	-29.7	175.5	-76.9	174.1	-175.3	170.6	0	113.5	A31 D32 F33 P39	A31-K35 VanDerWaalsContact O-CG 3.31Å; A31-K35 WeakPolarHBondContact O-CG 3.47Å; A31-K35 PolarHBondContact O-N 2.87Å; D32-K35 PolarHBondContact O-N 3.49Å; F33-K35 PolarHBondContact O-N 2.93Å; K35-P39 WeakPolarHBondContact O-CD 3.43Å; K35-P39 WeakPolarHBondContact O-CG 3.27Å
36	R	94.9	Very high	94.5	Very high	124 Å²	124	53.4 Å²	53.4	47%	0.468	30%	0.297	S	S	.	.	H	α-helix	trans	-82.2	-41.1	174	-68.7	-170.6	-58	-96.1	3.9	112.5	V17 D32 F33 V34 C40	V17-R36 HydrophobicContact CG1-CB 4.4Å; D32-R36 WeakPolarHBondContact O-CG 3.45Å; D32-R36 PolarHBondContact O-N 3.5Å; D32-R36 VanDerWaalsContact O-N 3.12Å; F33-R36 PolarHBondContact O-N 2.82Å; F33-R36 VanDerWaalsContact O-N 3.11Å; V34-R36 PolarHBondContact O-N 2.74Å; R36-C40 PolarHBondContact O-SG 3.38Å
37	L	94.8	Very high	94.7	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-70.1	-49.5	-174.3	-179.8	63.2	0	0	0	112.2	V14 V17 L18 F33 V34 C40 M41	V14-L37 HydrophobicContact CG1-CD1 4.08Å; V17-L37 HydrophobicContact CB-CD1 4.49Å; V17-L37 HydrophobicContact CG1-CB 4.05Å; V17-L37 HydrophobicContact CG1-CD1 4.07Å; L18-L37 HydrophobicContact CD2-CD1 3.89Å; L18-L37 HydrophobicContact CD2-CD2 4.09Å; L18-L37 HydrophobicContact CG-CD1 4.21Å; F33-L37 HydrophobicContact CE1-CB 4.36Å; F33-L37 HydrophobicContact CE1-CD2 3.65Å; F33-L37 HydrophobicContact CZ-CD2 3.9Å; F33-L37 WeakPolarHBondContact O-CB 3.49Å; F33-L37 PolarHBondContact O-N 3.15Å; V34-L37 PolarHBondContact O-N 2.87Å; L37-C40 PolarHBondContact O-N 3.3Å; L37-M41 HydrophobicContact CD1-CE 4.48Å; L37-M41 HydrophobicContact CD2-CE 4.29Å; L37-M41 HydrophobicContact CG-CE 4.04Å; L37-M41 WeakPolarHBondContact O-CB 3.38Å; L37-M41 PolarHBondContact O-N 3.26Å
38	T	94	Very high	95	Very high	68 Å²	68	49.7 Å²	49.7	42%	0.417	27%	0.273	S	S	.	.	H	α-helix	trans	-59.2	-47	-171.2	-57	0	0	0	0	113.3	V34 M41 A42	V34-T38 PolarHBondContact O-N 3.26Å; V34-T38 PolarHBondContact O-OG1 3.36Å; T38-M41 PolarHBondContact O-N 2.95Å; T38-A42 WeakPolarHBondContact O-CB 3.36Å; T38-A42 PolarHBondContact O-N 3.03Å
39	P	95	Very high	95.2	Very high	69 Å²	69	47.1 Å²	47.1	45%	0.448	26%	0.255	S	S	.	.	H	α-helix	trans	-64.7	-43.4	176.8	-21.6	34.4	0	0	0	112.8	K35 M41 A42 D43	K35-P39 WeakPolarHBondContact O-CD 3.43Å; K35-P39 WeakPolarHBondContact O-CG 3.27Å; P39-M41 VanDerWaalsContact C-N 3.25Å; P39-M41 PolarHBondContact O-N 3.39Å; P39-A42 PolarHBondContact O-N 3.38Å; P39-D43 PolarHBondContact O-N 2.89Å
40	C	94	Very high	95.3	Very high	13 Å²	13	49.3 Å²	49.3	9%	0.088	26%	0.262	C	S	.	.	H	α-helix	trans	-61.3	-37.8	179.9	-65.6	0	0	0	0	111.8	V14 R36 L37 M44	V14-C40 HydrophobicContact CG2-CB 4.09Å; V14-C40 WeakPolarHBondContact CG2-O 3.48Å; R36-C40 PolarHBondContact O-SG 3.38Å; L37-C40 PolarHBondContact O-N 3.3Å; C40-M44 PolarHBondContact O-N 3.47Å; C40-M44 VanDerWaalsContact O-N 3.1Å
41	M	94.6	Very high	95.2	Very high	5 Å²	5	51.9 Å²	51.9	3%	0.025	27%	0.271	C	S	.	.	H	α-helix	trans	-73.5	-37.5	178.7	-167.7	150.5	55.3	0	0	112.2	L37 T38 P39 M44 I45 V71 T75 M110	L37-M41 HydrophobicContact CD1-CE 4.48Å; L37-M41 HydrophobicContact CD2-CE 4.29Å; L37-M41 HydrophobicContact CG-CE 4.04Å; L37-M41 WeakPolarHBondContact O-CB 3.38Å; L37-M41 PolarHBondContact O-N 3.26Å; T38-M41 PolarHBondContact O-N 2.95Å; P39-M41 VanDerWaalsContact C-N 3.25Å; P39-M41 PolarHBondContact O-N 3.39Å; M41-M44 HydrophobicContact CG-CE 4.35Å; M41-M44 PolarHBondContact O-N 3.49Å; M41-I45 HydrophobicContact CG-CD1 4.11Å; M41-I45 WeakPolarHBondContact O-CB 3.44Å; M41-I45 VanDerWaalsContact O-CG1 3.27Å; M41-I45 WeakPolarHBondContact O-CG1 3.37Å; M41-I45 PolarHBondContact O-N 3.48Å; M41-V71 HydrophobicContact CG-CG1 3.71Å; M41-V71 HydrophobicContact SD-CG1 3.51Å; M41-V71 VanDerWaalsContact SD-CG1 3.51Å; M41-T75 HydrophobicContact CE-CG2 3.36Å; M41-T75 WeakPolarHBondContact CE-OG1 3.5Å; M41-T75 PolarHBondContact SD-OG1 3.44Å; M41-M110 HydrophobicContact SD-CE 4.25Å; M41-M110 HydrophobicContact SD-SD 4.37Å
42	A	95.7	Very high	95	Very high	54 Å²	54	50.7 Å²	50.7	45%	0.446	26%	0.257	S	S	.	.	H	α-helix	trans	-62.2	-43.8	173.7	0	0	0	0	0	111.9	T38 P39 I45 K46	T38-A42 WeakPolarHBondContact O-CB 3.36Å; T38-A42 PolarHBondContact O-N 3.03Å; P39-A42 PolarHBondContact O-N 3.38Å; A42-I45 PolarHBondContact O-N 3.33Å; A42-K46 WeakPolarHBondContact O-CB 3.35Å; A42-K46 PolarHBondContact O-N 3.42Å
43	D	95.7	Very high	94.8	Very high	74 Å²	74	54.2 Å²	54.2	40%	0.396	27%	0.272	S	S	.	.	H	α-helix	trans	-61.7	-45.3	175.5	-70.3	-18.1	0	0	0	111.5	P39 K46 E47	P39-D43 PolarHBondContact O-N 2.89Å; D43-K46 PolarHBondContact O-N 3.35Å; D43-E47 WeakPolarHBondContact O-CG 3.49Å; D43-E47 PolarHBondContact O-N 3.45Å; D43-E47 VanDerWaalsContact O-N 3.08Å
44	M	97	Very high	94.4	Very high	1 Å²	1	60.1 Å²	60.1	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-59.7	-49.6	176.7	-179.6	-169	76.3	0	0	111.4	H10 C11 V14 C40 M41 K46 E47 V48 V71 I114	H10-M44 HydrophobicContact CB-CB 4.33Å; C11-M44 HydrophobicContact CB-SD 4.2Å; V14-M44 HydrophobicContact CB-SD 4.11Å; V14-M44 HydrophobicContact CG2-CB 3.98Å; V14-M44 HydrophobicContact CG2-CG 4.45Å; V14-M44 HydrophobicContact CG2-SD 3.8Å; C40-M44 PolarHBondContact O-N 3.47Å; C40-M44 VanDerWaalsContact O-N 3.1Å; M41-M44 HydrophobicContact CG-CE 4.35Å; M41-M44 PolarHBondContact O-N 3.49Å; M44-K46 VanDerWaalsContact C-N 3.3Å; M44-K46 PolarHBondContact O-N 2.87Å; M44-E47 PolarHBondContact O-N 3.07Å; M44-V48 HydrophobicContact CG-CG2 4.35Å; M44-V48 WeakPolarHBondContact O-CG2 3.45Å; M44-V48 PolarHBondContact O-N 3.21Å; M44-V71 HydrophobicContact CE-CG1 3.95Å; M44-V71 HydrophobicContact CE-CG2 4.3Å; M44-I114 HydrophobicContact CE-CD1 4.39Å; M44-I114 HydrophobicContact CE-CG1 4.07Å; M44-I114 HydrophobicContact SD-CD1 4.42Å; M44-I114 HydrophobicContact SD-CG1 4.19Å; M44-I114 HydrophobicContact SD-CG2 4.06Å
45	I	96.8	Very high	93.7	Very high	26 Å²	26	60.1 Å²	60.1	13%	0.133	30%	0.298	C	S	.	.	H	α-helix	trans	-56.3	-47.4	179.2	-75.8	165.6	0	0	0	110.3	M41 A42 V48 D49 I68 V71 K72	M41-I45 HydrophobicContact CG-CD1 4.11Å; M41-I45 WeakPolarHBondContact O-CB 3.44Å; M41-I45 VanDerWaalsContact O-CG1 3.27Å; M41-I45 WeakPolarHBondContact O-CG1 3.37Å; M41-I45 PolarHBondContact O-N 3.48Å; A42-I45 PolarHBondContact O-N 3.33Å; I45-V48 PolarHBondContact O-N 2.96Å; I45-D49 VanDerWaalsContact O-CB 3.26Å; I45-D49 WeakPolarHBondContact O-CB 3.35Å; I45-D49 PolarHBondContact O-N 3.12Å; I45-I68 HydrophobicContact CG1-CG2 4.45Å; I45-I68 HydrophobicContact CG2-CG2 3.8Å; I45-V71 HydrophobicContact CD1-CG1 4.18Å; I45-V71 HydrophobicContact CG1-CG1 4.44Å; I45-K72 HydrophobicContact CD1-CG 3.84Å
46	K	96.7	Very high	92.7	Very high	128 Å²	128	58 Å²	58	56%	0.557	30%	0.297	S	S	*	.	H	α-helix	trans	-61.4	-46.6	-178.8	-176.7	-175.9	175.9	-174.2	0	112.6	A42 D43 M44 V48 D49 N50	A42-K46 WeakPolarHBondContact O-CB 3.35Å; A42-K46 PolarHBondContact O-N 3.42Å; D43-K46 PolarHBondContact O-N 3.35Å; M44-K46 VanDerWaalsContact C-N 3.3Å; M44-K46 PolarHBondContact O-N 2.87Å; K46-V48 VanDerWaalsContact C-N 3.35Å; K46-D49 PolarHBondContact O-N 3.44Å; K46-N50 VanDerWaalsContact O-CG 3.27Å; K46-N50 PolarHBondContact O-N 3.34Å
47	E	96.3	Very high	91.6	Very high	43 Å²	43	54 Å²	54	20%	0.201	28%	0.284	C	S	.	.	H	α-helix	trans	-69.6	-33.1	-178.3	-64.3	-75.6	121.8	0	0	112	K6 I7 D43 M44 R51	K6-E47 IonicContact NZ-OE2 3.16Å; K6-E47 PolarHBondContact NZ-OE2 3.4Å; I7-E47 HydrophobicContact CG1-CB 4.26Å; I7-E47 HydrophobicContact CG2-CB 4.26Å; D43-E47 WeakPolarHBondContact O-CG 3.49Å; D43-E47 PolarHBondContact O-N 3.45Å; D43-E47 VanDerWaalsContact O-N 3.08Å; M44-E47 PolarHBondContact O-N 3.07Å; E47-R51 WeakPolarHBondContact O-CB 3.46Å; E47-R51 PolarHBondContact O-N 3.21Å
48	V	95.8	Very high	90.4	Very high	1 Å²	1	60.7 Å²	60.7	1%	0.006	32%	0.316	C	S	.	.	H	α-helix	trans	-71.3	-38	174.8	-179.5	0	0	0	0	110.9	I7 M44 I45 K46 R51 Q52 L64 I68 I117 L121	I7-V48 HydrophobicContact CG2-CG2 3.75Å; M44-V48 HydrophobicContact CG-CG2 4.35Å; M44-V48 WeakPolarHBondContact O-CG2 3.45Å; M44-V48 PolarHBondContact O-N 3.21Å; I45-V48 PolarHBondContact O-N 2.96Å; K46-V48 VanDerWaalsContact C-N 3.35Å; V48-R51 PolarHBondContact O-N 2.93Å; V48-Q52 PolarHBondContact O-N 3.25Å; V48-L64 HydrophobicContact CG1-CB 4.04Å; V48-L64 HydrophobicContact CG1-CD1 4.42Å; V48-L64 HydrophobicContact CG1-CD2 4.17Å; V48-L64 HydrophobicContact CG1-CG 4.44Å; V48-I68 HydrophobicContact CB-CD1 4.04Å; V48-I68 HydrophobicContact CB-CG1 4.23Å; V48-I68 HydrophobicContact CG1-CD1 3.74Å; V48-I68 HydrophobicContact CG1-CG1 3.92Å; V48-I117 HydrophobicContact CB-CG2 4.44Å; V48-I117 HydrophobicContact CG1-CG2 3.83Å; V48-I117 HydrophobicContact CG2-CG2 3.66Å; V48-L121 HydrophobicContact CG2-CD1 4.38Å
49	D	95.9	Very high	89.2	Confident	49 Å²	49	60 Å²	60	26%	0.262	31%	0.314	S	S	.	.	H	α-helix	trans	-65.4	-46.3	178.8	-161.7	29.2	0	0	0	111.3	I45 K46 R51 Q52 E53 I68	I45-D49 VanDerWaalsContact O-CB 3.26Å; I45-D49 WeakPolarHBondContact O-CB 3.35Å; I45-D49 PolarHBondContact O-N 3.12Å; K46-D49 PolarHBondContact O-N 3.44Å; D49-R51 PolarHBondContact O-N 3.28Å; D49-Q52 VanDerWaalsContact O-CG 3.31Å; D49-Q52 WeakPolarHBondContact O-CG 3.5Å; D49-Q52 PolarHBondContact O-N 3.05Å; D49-Q52 PolarHBondContact O-NE2 2.94Å; D49-Q52 PolarHBondContact OD1-NE2 3.29Å; D49-E53 PolarHBondContact O-N 3.3Å; D49-I68 HydrophobicContact CB-CD1 3.92Å
50	N	95.3	Very high	88.3	Confident	69 Å²	69	57.2 Å²	57.2	37%	0.369	30%	0.295	S	S	.	.	H	α-helix	trans	-57.9	-39.7	172.6	-67.4	-13.5	0	0	0	111.7	K46	K46-N50 VanDerWaalsContact O-CG 3.27Å; K46-N50 PolarHBondContact O-N 3.34Å
51	R	92.4	Very high	87.7	Confident	65 Å²	65	57.7 Å²	57.7	25%	0.245	30%	0.298	C	S	.	.	H	α-helix	trans	-70.2	-37.9	-178.1	-179.1	56.9	-176.6	161.7	8.5	112.4	I7 E47 V48 D49 E53 E54 L55 L121	I7-R51 HydrophobicContact CD1-CB 3.61Å; I7-R51 HydrophobicContact CD1-CG 3.81Å; E47-R51 WeakPolarHBondContact O-CB 3.46Å; E47-R51 PolarHBondContact O-N 3.21Å; V48-R51 PolarHBondContact O-N 2.93Å; D49-R51 PolarHBondContact O-N 3.28Å; R51-E53 VanDerWaalsContact C-N 3.26Å; R51-E53 PolarHBondContact O-N 2.8Å; R51-E54 IonicContact CZ-OE2 3.98Å; R51-E54 IonicContact NH1-OE2 3.94Å; R51-E54 PolarHBondContact NH1-OE2 3.41Å; R51-E54 PolarHBondContact O-N 2.98Å; R51-L55 WeakPolarHBondContact O-CG 3.49Å; R51-L55 PolarHBondContact O-N 3.04Å; R51-L121 HydrophobicContact CB-CD2 4.26Å; R51-L121 HydrophobicContact CG-CD2 3.75Å
52	Q	90.5	Very high	86.8	Confident	23 Å²	23	60.2 Å²	60.2	11%	0.107	32%	0.32	C	S	.	.	H	α-helix	trans	-66.5	-31.6	-178.5	73.3	69.3	28.6	0	0	111.9	V48 D49 E54 L55 S61 L64	V48-Q52 PolarHBondContact O-N 3.25Å; D49-Q52 VanDerWaalsContact O-CG 3.31Å; D49-Q52 WeakPolarHBondContact O-CG 3.5Å; D49-Q52 PolarHBondContact O-N 3.05Å; D49-Q52 PolarHBondContact O-NE2 2.94Å; D49-Q52 PolarHBondContact OD1-NE2 3.29Å; Q52-E54 VanDerWaalsContact C-N 3.29Å; Q52-E54 PolarHBondContact O-N 2.81Å; Q52-L55 PolarHBondContact O-N 3.49Å; Q52-S61 WeakPolarHBondContact O-CB 3.39Å; Q52-S61 PolarHBondContact O-OG 3.28Å; Q52-S61 PolarHBondContact OE1-OG 2.79Å; Q52-L64 HydrophobicContact CB-CB 3.86Å; Q52-L64 HydrophobicContact CB-CD1 4.05Å
53	E	89.3	Confident	86.1	Confident	144 Å²	144	59 Å²	59	67%	0.673	31%	0.305	S	S	*	.	H	α-helix	trans	-66.9	-27.5	174.3	-63.8	-174.6	163.2	0	0	113.2	D49 R51	D49-E53 PolarHBondContact O-N 3.3Å; R51-E53 VanDerWaalsContact C-N 3.26Å; R51-E53 PolarHBondContact O-N 2.8Å
54	E	87.2	Confident	85.8	Confident	124 Å²	124	55.4 Å²	55.4	58%	0.579	29%	0.287	S	S	*	.	H	α-helix	trans	-82.3	-14.2	178.5	-66.2	176.1	175.2	0	0	113.7	R51 Q52	R51-E54 IonicContact CZ-OE2 3.98Å; R51-E54 IonicContact NH1-OE2 3.94Å; R51-E54 PolarHBondContact NH1-OE2 3.41Å; R51-E54 PolarHBondContact O-N 2.98Å; Q52-E54 VanDerWaalsContact C-N 3.29Å; Q52-E54 PolarHBondContact O-N 2.81Å
55	L	81.9	Confident	85.5	Confident	34 Å²	34	58.5 Å²	58.5	18%	0.178	30%	0.302	C	S	.	.			trans	-75.5	130.3	-174.8	-71.4	173.9	0	0	0	111	R51 Q52 H60 L64	R51-L55 WeakPolarHBondContact O-CG 3.49Å; R51-L55 PolarHBondContact O-N 3.04Å; Q52-L55 PolarHBondContact O-N 3.49Å; L55-H60 HydrophobicContact CD1-CB 3.86Å; L55-L64 HydrophobicContact CD1-CD1 3.64Å
56	T	73.5	Confident	85	Confident	102 Å²	102	60.5 Å²	60.5	63%	0.626	31%	0.309	S	S	*	.	S	Bend	trans	-71.4	-36.4	173	49.2	0	0	0	0	111.7	Q58 E125	T56-Q58 PolarHBondContact O-N 3.46Å; T56-E125 PolarHBondContact OG1-OE1 3.41Å
57	I	71.2	Confident	84.6	Confident	39 Å²	39	54.5 Å²	54.5	20%	0.2	28%	0.283	C	S	.	.			trans	-83	109.8	-179.5	-58.2	174.1	0	0	0	109.7	S59 H60 S61 E125	I57-S59 WeakPolarHBondContact CG2-OG 3.49Å; I57-S59 PolarHBondContact O-N 3.01Å; I57-H60 HydrophobicContact CB-CB 4.41Å; I57-H60 HydrophobicContact CG2-CB 4.36Å; I57-H60 PolarHBondContact O-N 3.23Å; I57-S61 PolarHBondContact O-N 2.91Å; I57-E125 HydrophobicContact CD1-CB 4.48Å; I57-E125 HydrophobicContact CD1-CG 4.02Å
58	Q	69.7	Low	84.5	Confident	143 Å²	143	52.5 Å²	52.5	67%	0.668	27%	0.273	S	S	*	.	H	α-helix	trans	-65.1	-33.7	-176.3	-72	-137.9	-8	0	0	114.1	T56 H60 S61 A62	T56-Q58 PolarHBondContact O-N 3.46Å; Q58-H60 VanDerWaalsContact C-N 3.28Å; Q58-H60 PolarHBondContact O-N 3.09Å; Q58-S61 PolarHBondContact O-N 3.39Å; Q58-A62 WeakPolarHBondContact O-CB 3.47Å; Q58-A62 PolarHBondContact O-N 3.28Å
59	S	68.6	Low	84.3	Confident	54 Å²	54	58 Å²	58	38%	0.378	30%	0.299	S	S	.	.	H	α-helix	trans	-61.4	-38.5	177.1	56.2	0	0	0	0	111.7	I57 L63	I57-S59 WeakPolarHBondContact CG2-OG 3.49Å; I57-S59 PolarHBondContact O-N 3.01Å; S59-L63 WeakPolarHBondContact O-CB 3.3Å; S59-L63 PolarHBondContact O-N 3.29Å
60	H	76.4	Confident	84	Confident	11 Å²	11	56 Å²	56	5%	0.051	29%	0.288	C	S	.	.	H	α-helix	trans	-70.3	-43.4	176.4	-61.9	165.5	0	0	0	112	L55 I57 Q58 A62 L63 L64 L123 E130	L55-H60 HydrophobicContact CD1-CB 3.86Å; I57-H60 HydrophobicContact CB-CB 4.41Å; I57-H60 HydrophobicContact CG2-CB 4.36Å; I57-H60 PolarHBondContact O-N 3.23Å; Q58-H60 VanDerWaalsContact C-N 3.28Å; Q58-H60 PolarHBondContact O-N 3.09Å; H60-A62 VanDerWaalsContact C-N 3.34Å; H60-A62 PolarHBondContact O-N 3.45Å; H60-L63 PolarHBondContact O-N 2.95Å; H60-L64 WeakPolarHBondContact O-CG 3.47Å; H60-L64 PolarHBondContact O-N 3.31Å; H60-L123 WeakPolarHBondContact CD2-CD1 3.07Å; H60-L123 WeakPolarHBondContact NE2-CD1 3.34Å; H60-E130 IonicContact CE1-OE1 3.76Å; H60-E130 PolarHBondContact CE1-OE1 2.69Å; H60-E130 IonicContact CE1-OE2 2.76Å; H60-E130 PolarHBondContact CE1-OE2 2.95Å; H60-E130 IonicContact NE2-OE1 3.71Å; H60-E130 PolarHBondContact NE2-OE1 3.45Å; H60-E130 IonicContact NE2-OE2 3.47Å; H60-E130 PolarHBondContact NE2-OE2 3.26Å
61	S	82.5	Confident	84	Confident	23 Å²	23	52.7 Å²	52.7	16%	0.161	27%	0.27	C	S	.	.	H	α-helix	trans	-56.3	-49.4	173.4	159	0	0	0	0	111	Q52 I57 Q58 L63 L64 L65	Q52-S61 WeakPolarHBondContact O-CB 3.39Å; Q52-S61 PolarHBondContact O-OG 3.28Å; Q52-S61 PolarHBondContact OE1-OG 2.79Å; I57-S61 PolarHBondContact O-N 2.91Å; Q58-S61 PolarHBondContact O-N 3.39Å; S61-L63 VanDerWaalsContact C-N 3.33Å; S61-L63 PolarHBondContact O-N 3.33Å; S61-L64 PolarHBondContact O-N 2.89Å; S61-L65 PolarHBondContact O-N 2.85Å
62	A	75.5	Confident	84.1	Confident	57 Å²	57	54.9 Å²	54.9	47%	0.471	28%	0.282	S	S	.	.	H	α-helix	trans	-61.3	-38.6	178.4	0	0	0	0	0	112.8	Q58 H60 L65 R66	Q58-A62 WeakPolarHBondContact O-CB 3.47Å; Q58-A62 PolarHBondContact O-N 3.28Å; H60-A62 VanDerWaalsContact C-N 3.34Å; H60-A62 PolarHBondContact O-N 3.45Å; A62-L65 PolarHBondContact O-N 3Å; A62-R66 WeakPolarHBondContact O-CB 3.27Å; A62-R66 PolarHBondContact O-N 3.04Å
63	L	80.1	Confident	84.1	Confident	28 Å²	28	56 Å²	56	15%	0.147	29%	0.285	C	S	.	.	H	α-helix	trans	-63.1	-44.2	176.2	-177.9	142.2	0	0	0	112.3	S59 H60 S61 R66 G67 M141	S59-L63 WeakPolarHBondContact O-CB 3.3Å; S59-L63 PolarHBondContact O-N 3.29Å; H60-L63 PolarHBondContact O-N 2.95Å; S61-L63 VanDerWaalsContact C-N 3.33Å; S61-L63 PolarHBondContact O-N 3.33Å; L63-R66 PolarHBondContact O-N 3.29Å; L63-G67 PolarHBondContact O-N 2.95Å; L63-M141 HydrophobicContact CD1-CE 4.49Å
64	L	89.4	Confident	84.3	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-66.7	-42.1	178	-67.9	-176.6	0	0	0	111.4	V48 Q52 L55 H60 S61 G67 I68 I117 L121	V48-L64 HydrophobicContact CG1-CB 4.04Å; V48-L64 HydrophobicContact CG1-CD1 4.42Å; V48-L64 HydrophobicContact CG1-CD2 4.17Å; V48-L64 HydrophobicContact CG1-CG 4.44Å; Q52-L64 HydrophobicContact CB-CB 3.86Å; Q52-L64 HydrophobicContact CB-CD1 4.05Å; L55-L64 HydrophobicContact CD1-CD1 3.64Å; H60-L64 WeakPolarHBondContact O-CG 3.47Å; H60-L64 PolarHBondContact O-N 3.31Å; S61-L64 PolarHBondContact O-N 2.89Å; L64-G67 PolarHBondContact O-N 3.46Å; L64-I68 WeakPolarHBondContact O-CG1 3.34Å; L64-I68 PolarHBondContact O-N 3.31Å; L64-I117 HydrophobicContact CD2-CG2 4.22Å; L64-L121 HydrophobicContact CD1-CD2 3.92Å; L64-L121 HydrophobicContact CD1-CG 4.5Å; L64-L121 HydrophobicContact CD2-CD2 4.32Å; L64-L121 HydrophobicContact CD2-CG 4.04Å
65	L	90	Very high	84.7	Confident	65 Å²	65	44.4 Å²	44.4	34%	0.34	23%	0.232	S	C	.	.	H	α-helix	trans	-60.8	-45.5	176.3	-171.8	65.9	0	0	0	111.4	S61 A62 G67 I68 E69	S61-L65 PolarHBondContact O-N 2.85Å; A62-L65 PolarHBondContact O-N 3Å; L65-G67 VanDerWaalsContact C-N 3.32Å; L65-G67 PolarHBondContact O-N 3.47Å; L65-I68 WeakPolarHBondContact O-CB 3.49Å; L65-I68 PolarHBondContact O-N 3.48Å; L65-E69 WeakPolarHBondContact O-CG 3.31Å; L65-E69 PolarHBondContact O-N 3.04Å
66	R	86.9	Confident	85.3	Confident	69 Å²	69	45.9 Å²	45.9	26%	0.26	24%	0.244	S	C	.	.	H	α-helix	trans	-55	-47.7	172.8	-175.9	-162.4	74.8	83.6	11.2	111.1	A62 L63 I68 E69 Q70 E113	A62-R66 WeakPolarHBondContact O-CB 3.27Å; A62-R66 PolarHBondContact O-N 3.04Å; L63-R66 PolarHBondContact O-N 3.29Å; R66-I68 VanDerWaalsContact C-N 3.33Å; R66-I68 PolarHBondContact O-N 3.09Å; R66-E69 PolarHBondContact O-N 2.86Å; R66-Q70 HydrophobicContact CG-CG 4.46Å; R66-Q70 VanDerWaalsContact O-CG 3.25Å; R66-Q70 WeakPolarHBondContact O-CG 3.45Å; R66-Q70 PolarHBondContact O-N 3.14Å; R66-E113 IonicContact CZ-OE1 3.93Å; R66-E113 IonicContact CZ-OE2 2.66Å; R66-E113 IonicContact NH1-OE1 2.86Å; R66-E113 PolarHBondContact NH1-OE1 3.24Å; R66-E113 VanDerWaalsContact NH1-OE1 3.09Å; R66-E113 IonicContact NH1-OE2 2.7Å; R66-E113 PolarHBondContact NH1-OE2 2.96Å; R66-E113 IonicContact NH2-OE1 3.73Å; R66-E113 IonicContact NH2-OE2 2.86Å; R66-E113 PolarHBondContact NH2-OE2 3.34Å
67	G	88.1	Confident	86.4	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-58.4	-44.3	178.5	0	0	0	0	0	112.3	L63 L64 L65 Q70 V71	L63-G67 PolarHBondContact O-N 2.95Å; L64-G67 PolarHBondContact O-N 3.46Å; L65-G67 VanDerWaalsContact C-N 3.32Å; L65-G67 PolarHBondContact O-N 3.47Å; G67-Q70 PolarHBondContact O-N 3.2Å; G67-V71 VanDerWaalsContact O-CG2 3.32Å; G67-V71 WeakPolarHBondContact O-CG2 3.49Å; G67-V71 PolarHBondContact O-N 3.17Å
68	I	94.3	Very high	87.6	Confident	2 Å²	2	39.6 Å²	39.6	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-60	-48.2	176.7	-70.3	163.1	0	0	0	111.3	I45 V48 D49 L64 L65 R66 Q70 V71 K72	I45-I68 HydrophobicContact CG1-CG2 4.45Å; I45-I68 HydrophobicContact CG2-CG2 3.8Å; V48-I68 HydrophobicContact CB-CD1 4.04Å; V48-I68 HydrophobicContact CB-CG1 4.23Å; V48-I68 HydrophobicContact CG1-CD1 3.74Å; V48-I68 HydrophobicContact CG1-CG1 3.92Å; D49-I68 HydrophobicContact CB-CD1 3.92Å; L64-I68 WeakPolarHBondContact O-CG1 3.34Å; L64-I68 PolarHBondContact O-N 3.31Å; L65-I68 WeakPolarHBondContact O-CB 3.49Å; L65-I68 PolarHBondContact O-N 3.48Å; R66-I68 VanDerWaalsContact C-N 3.33Å; R66-I68 PolarHBondContact O-N 3.09Å; I68-Q70 VanDerWaalsContact C-N 3.3Å; I68-Q70 PolarHBondContact O-N 2.9Å; I68-V71 PolarHBondContact O-N 3.32Å; I68-K72 HydrophobicContact CG2-CD 4.05Å; I68-K72 WeakPolarHBondContact O-CG 3.43Å; I68-K72 PolarHBondContact O-N 2.97Å
69	E	91.8	Very high	88.8	Confident	116 Å²	116	34.9 Å²	34.9	54%	0.542	19%	0.186	S	C	.	.	H	α-helix	trans	-60.6	-41.8	179.9	-71.6	178.5	171.2	0	0	111.6	L65 R66 K72 R73	L65-E69 WeakPolarHBondContact O-CG 3.31Å; L65-E69 PolarHBondContact O-N 3.04Å; R66-E69 PolarHBondContact O-N 2.86Å; E69-K72 PolarHBondContact O-N 3.46Å; E69-R73 WeakPolarHBondContact O-CB 3.45Å; E69-R73 PolarHBondContact O-N 3.35Å
70	Q	89.9	Confident	90.1	Very high	7 Å²	7	33.6 Å²	33.6	3%	0.033	18%	0.177	C	C	.	.	H	α-helix	trans	-66	-43.6	178.2	-65.9	-66.5	54.2	0	0	112.5	R66 G67 I68 K72 R73 L74 E113 R518	R66-Q70 HydrophobicContact CG-CG 4.46Å; R66-Q70 VanDerWaalsContact O-CG 3.25Å; R66-Q70 WeakPolarHBondContact O-CG 3.45Å; R66-Q70 PolarHBondContact O-N 3.14Å; G67-Q70 PolarHBondContact O-N 3.2Å; I68-Q70 VanDerWaalsContact C-N 3.3Å; I68-Q70 PolarHBondContact O-N 2.9Å; Q70-K72 VanDerWaalsContact C-N 3.32Å; Q70-K72 PolarHBondContact O-N 3.28Å; Q70-R73 PolarHBondContact O-N 2.62Å; Q70-L74 WeakPolarHBondContact O-CB 3.42Å; Q70-L74 VanDerWaalsContact O-CG 3.29Å; Q70-L74 WeakPolarHBondContact O-CG 3.42Å; Q70-L74 PolarHBondContact O-N 2.94Å; Q70-E113 HydrophobicContact CB-CG 4.01Å; Q70-R518 VanDerWaalsContact NE2-NH1 3.16Å
71	V	94.4	Very high	91	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60	-43.9	175	170.2	0	0	0	0	110.9	M41 M44 I45 G67 I68 R73 L74 T75 M110 E113 I114 I117	M41-V71 HydrophobicContact CG-CG1 3.71Å; M41-V71 HydrophobicContact SD-CG1 3.51Å; M41-V71 VanDerWaalsContact SD-CG1 3.51Å; M44-V71 HydrophobicContact CE-CG1 3.95Å; M44-V71 HydrophobicContact CE-CG2 4.3Å; I45-V71 HydrophobicContact CD1-CG1 4.18Å; I45-V71 HydrophobicContact CG1-CG1 4.44Å; G67-V71 VanDerWaalsContact O-CG2 3.32Å; G67-V71 WeakPolarHBondContact O-CG2 3.49Å; G67-V71 PolarHBondContact O-N 3.17Å; I68-V71 PolarHBondContact O-N 3.32Å; V71-R73 PolarHBondContact O-N 3.46Å; V71-L74 PolarHBondContact O-N 3.07Å; V71-T75 PolarHBondContact O-N 3.45Å; V71-T75 VanDerWaalsContact O-N 3.14Å; V71-T75 PolarHBondContact O-OG1 2.9Å; V71-M110 HydrophobicContact CB-SD 4.11Å; V71-M110 HydrophobicContact CG1-SD 3.84Å; V71-M110 HydrophobicContact CG2-SD 3.98Å; V71-E113 HydrophobicContact CG2-CB 4.37Å; V71-I114 HydrophobicContact CG2-CG1 4.17Å; V71-I117 HydrophobicContact CG2-CD1 4.02Å
72	K	94.2	Very high	91.6	Very high	110 Å²	110	32 Å²	32	48%	0.478	17%	0.167	S	C	.	.	H	α-helix	trans	-60.5	-43.6	176.4	-74.1	174.4	-179.8	171.1	0	111.7	I45 I68 E69 Q70 P76	I45-K72 HydrophobicContact CD1-CG 3.84Å; I68-K72 HydrophobicContact CG2-CD 4.05Å; I68-K72 WeakPolarHBondContact O-CG 3.43Å; I68-K72 PolarHBondContact O-N 2.97Å; E69-K72 PolarHBondContact O-N 3.46Å; Q70-K72 VanDerWaalsContact C-N 3.32Å; Q70-K72 PolarHBondContact O-N 3.28Å; K72-P76 VanDerWaalsContact O-CD 3.28Å; K72-P76 WeakPolarHBondContact O-CD 3.46Å
73	R	91.7	Very high	92.5	Very high	46 Å²	46	35.2 Å²	35.2	17%	0.174	17%	0.17	C	C	.	.	H	α-helix	trans	-66.4	-44.1	179.6	-174	175.1	67.9	149.9	8	112.8	E69 Q70 V71 P76 H511 D514	E69-R73 WeakPolarHBondContact O-CB 3.45Å; E69-R73 PolarHBondContact O-N 3.35Å; Q70-R73 PolarHBondContact O-N 2.62Å; V71-R73 PolarHBondContact O-N 3.46Å; R73-P76 WeakPolarHBondContact O-CD 3.47Å; R73-H511 PolarHBondContact NH2-CD2 2.73Å; R73-H511 PolarHBondContact NH2-NE2 3.15Å; R73-D514 IonicContact NH1-OD2 3.37Å
74	L	94.1	Very high	93.2	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-73.1	-28.1	-176.2	-70	172.7	0	0	0	113.2	Q70 V71 I77 L78 L106 E109 M110 E113	Q70-L74 WeakPolarHBondContact O-CB 3.42Å; Q70-L74 VanDerWaalsContact O-CG 3.29Å; Q70-L74 WeakPolarHBondContact O-CG 3.42Å; Q70-L74 PolarHBondContact O-N 2.94Å; V71-L74 PolarHBondContact O-N 3.07Å; L74-I77 PolarHBondContact O-N 3.36Å; L74-I77 VanDerWaalsContact O-N 3.17Å; L74-L78 WeakPolarHBondContact O-CB 3.28Å; L74-L78 PolarHBondContact O-N 3.22Å; L74-L106 HydrophobicContact CD2-CD2 4.12Å; L74-E109 HydrophobicContact CD1-CB 4.36Å; L74-E109 HydrophobicContact CD1-CG 3.86Å; L74-E109 HydrophobicContact CD2-CG 4.32Å; L74-E109 WeakPolarHBondContact CD2-OE2 3.43Å; L74-M110 HydrophobicContact CB-CE 3.48Å; L74-M110 VanDerWaalsContact CB-CE 3.48Å; L74-M110 HydrophobicContact CB-SD 4.21Å; L74-E113 HydrophobicContact CD1-CG 4.31Å
75	T	94.6	Very high	93.4	Very high	24 Å²	24	34.8 Å²	34.8	15%	0.147	17%	0.168	C	C	.	.	H	α-helix	trans	-51.9	-56.6	-176	-66.2	0	0	0	0	114	M41 V71 I77 L78 I79	M41-T75 HydrophobicContact CE-CG2 3.36Å; M41-T75 WeakPolarHBondContact CE-OG1 3.5Å; M41-T75 PolarHBondContact SD-OG1 3.44Å; V71-T75 PolarHBondContact O-N 3.45Å; V71-T75 VanDerWaalsContact O-N 3.14Å; V71-T75 PolarHBondContact O-OG1 2.9Å; T75-I77 VanDerWaalsContact C-N 3.3Å; T75-I77 PolarHBondContact O-N 2.66Å; T75-L78 PolarHBondContact O-N 2.83Å; T75-I79 HydrophobicContact CG2-CD1 4.05Å; T75-I79 WeakPolarHBondContact O-CG1 3.28Å; T75-I79 PolarHBondContact O-N 3.19Å; T75-I79 VanDerWaalsContact O-N 3.11Å
76	P	94.9	Very high	93.6	Very high	65 Å²	65	31.8 Å²	31.8	42%	0.422	15%	0.152	S	C	.	.	H	α-helix	trans	-65.3	-34.7	179.9	26.4	-35.7	0	0	0	112.3	K72 R73 I79 S80 M507	K72-P76 VanDerWaalsContact O-CD 3.28Å; K72-P76 WeakPolarHBondContact O-CD 3.46Å; R73-P76 WeakPolarHBondContact O-CD 3.47Å; P76-I79 PolarHBondContact O-N 3.24Å; P76-S80 PolarHBondContact O-N 3.3Å; P76-M507 VanDerWaalsContact C-CE 3.44Å; P76-M507 HydrophobicContact CB-CE 3.81Å; P76-M507 HydrophobicContact CG-CE 4.33Å
77	I	96.6	Very high	93.9	Very high	8 Å²	8	29.4 Å²	29.4	4%	0.041	15%	0.145	C	C	.	.	H	α-helix	trans	-64.8	-45	179.7	-49.3	174.3	0	0	0	110	L74 T75 S80 S81 L106 M507 M508 H511	L74-I77 PolarHBondContact O-N 3.36Å; L74-I77 VanDerWaalsContact O-N 3.17Å; T75-I77 VanDerWaalsContact C-N 3.3Å; T75-I77 PolarHBondContact O-N 2.66Å; I77-S80 WeakPolarHBondContact O-CB 3.44Å; I77-S80 PolarHBondContact O-N 3.32Å; I77-S81 PolarHBondContact O-N 2.98Å; I77-L106 HydrophobicContact CB-CD2 4.24Å; I77-L106 HydrophobicContact CG2-CD1 3.71Å; I77-L106 HydrophobicContact CG2-CD2 3.72Å; I77-L106 HydrophobicContact CG2-CG 4.39Å; I77-M507 HydrophobicContact CB-CE 4.29Å; I77-M507 HydrophobicContact CG1-CB 4.4Å; I77-M507 HydrophobicContact CG1-CE 3.91Å; I77-M507 HydrophobicContact CG2-CB 4.49Å; I77-M508 HydrophobicContact CG2-SD 3.7Å; I77-H511 HydrophobicContact CD1-CB 3.86Å
78	L	95.6	Very high	94.1	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-61.2	-45.7	176	174.2	59.6	0	0	0	111.8	L18 L74 T75 S80 S81 L82 L106 L107 M110	L18-L78 HydrophobicContact CD2-CD2 3.85Å; L74-L78 WeakPolarHBondContact O-CB 3.28Å; L74-L78 PolarHBondContact O-N 3.22Å; T75-L78 PolarHBondContact O-N 2.83Å; L78-S80 VanDerWaalsContact C-N 3.31Å; L78-S80 PolarHBondContact O-N 3.43Å; L78-S81 PolarHBondContact O-N 2.98Å; L78-L82 HydrophobicContact CD1-CD1 3.95Å; L78-L82 HydrophobicContact CD1-CG 4.13Å; L78-L82 HydrophobicContact CG-CD1 3.97Å; L78-L82 WeakPolarHBondContact O-CB 3.32Å; L78-L82 WeakPolarHBondContact O-CG 3.46Å; L78-L82 PolarHBondContact O-N 3.18Å; L78-L106 HydrophobicContact CB-CB 4.3Å; L78-L106 HydrophobicContact CD1-CB 3.88Å; L78-L107 HydrophobicContact CD1-CD2 3.73Å; L78-L107 HydrophobicContact CD1-CG 3.74Å; L78-L107 HydrophobicContact CD2-CD2 4.01Å; L78-L107 HydrophobicContact CG-CD2 4.47Å; L78-M110 HydrophobicContact CD2-CE 4.43Å
79	I	94.5	Very high	93.9	Very high	45 Å²	45	34.1 Å²	34.1	23%	0.231	17%	0.166	C	C	.	.	H	α-helix	trans	-61.5	-42.4	178	-66.5	169.8	0	0	0	110.7	V34 T75 P76 K83	V34-I79 HydrophobicContact CG1-CD1 4.24Å; V34-I79 HydrophobicContact CG2-CD1 4.37Å; V34-I79 HydrophobicContact CG2-CG1 4.18Å; V34-I79 HydrophobicContact CG2-CG2 4.18Å; T75-I79 HydrophobicContact CG2-CD1 4.05Å; T75-I79 WeakPolarHBondContact O-CG1 3.28Å; T75-I79 PolarHBondContact O-N 3.19Å; T75-I79 VanDerWaalsContact O-N 3.11Å; P76-I79 PolarHBondContact O-N 3.24Å; I79-K83 WeakPolarHBondContact O-CB 3.13Å; I79-K83 PolarHBondContact O-N 3.24Å
80	S	95.9	Very high	93.8	Very high	26 Å²	26	32.8 Å²	32.8	18%	0.182	16%	0.16	C	C	.	.	H	α-helix	trans	-60.7	-45.5	175.2	-176.5	0	0	0	0	111.8	P76 I77 L78 K83 L84 H504	P76-S80 PolarHBondContact O-N 3.3Å; I77-S80 WeakPolarHBondContact O-CB 3.44Å; I77-S80 PolarHBondContact O-N 3.32Å; L78-S80 VanDerWaalsContact C-N 3.31Å; L78-S80 PolarHBondContact O-N 3.43Å; S80-K83 PolarHBondContact O-N 2.77Å; S80-L84 WeakPolarHBondContact O-CB 3.35Å; S80-L84 PolarHBondContact O-N 3.31Å; S80-H504 PolarHBondContact OG-ND1 2.96Å
81	S	96	Very high	93.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-63.7	-45.4	179.8	-168.7	0	0	0	0	112.3	I77 L78 K83 L84 H85 N102 R103 L106	I77-S81 PolarHBondContact O-N 2.98Å; L78-S81 PolarHBondContact O-N 2.98Å; S81-K83 PolarHBondContact O-N 3.04Å; S81-L84 PolarHBondContact O-N 3.44Å; S81-H85 WeakPolarHBondContact O-CB 3.31Å; S81-H85 PolarHBondContact O-N 3.45Å; S81-N102 VanDerWaalsContact OG-C 3.28Å; S81-N102 WeakPolarHBondContact OG-CB 3.36Å; S81-R103 VanDerWaalsContact OG-CA 3.24Å; S81-R103 WeakPolarHBondContact OG-CA 3.22Å; S81-R103 PolarHBondContact OG-N 3.33Å; S81-L106 VanDerWaalsContact CB-CD1 3.45Å
82	L	94.9	Very high	93.5	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-59	-45.4	174.3	-78	164.2	0	0	0	111.7	A21 L30 F33 L78 L84 H85 V86 R103	A21-L82 HydrophobicContact CB-CD2 4.22Å; L30-L82 HydrophobicContact CD1-CB 3.68Å; L30-L82 HydrophobicContact CD1-CD1 4.19Å; L30-L82 HydrophobicContact CD1-CG 4.46Å; L30-L82 HydrophobicContact CD2-CB 4.48Å; F33-L82 HydrophobicContact CD1-CD1 4.15Å; F33-L82 HydrophobicContact CE1-CD1 3.6Å; F33-L82 HydrophobicContact CZ-CD1 4.32Å; L78-L82 HydrophobicContact CD1-CD1 3.95Å; L78-L82 HydrophobicContact CD1-CG 4.13Å; L78-L82 HydrophobicContact CG-CD1 3.97Å; L78-L82 WeakPolarHBondContact O-CB 3.32Å; L78-L82 WeakPolarHBondContact O-CG 3.46Å; L78-L82 PolarHBondContact O-N 3.18Å; L82-L84 VanDerWaalsContact C-N 3.32Å; L82-L84 PolarHBondContact O-N 3.42Å; L82-H85 PolarHBondContact O-N 3.48Å; L82-V86 WeakPolarHBondContact O-CB 3.49Å; L82-V86 VanDerWaalsContact O-CG2 3.27Å; L82-V86 WeakPolarHBondContact O-CG2 3.26Å; L82-V86 PolarHBondContact O-N 3.36Å; L82-R103 HydrophobicContact CD2-CG 3.57Å; L82-R103 HydrophobicContact CG-CG 4.11Å
83	K	94.4	Very high	93.3	Very high	125 Å²	125	37.5 Å²	37.5	54%	0.543	19%	0.185	S	C	.	.	H	α-helix	trans	-60.2	-43.5	177.6	-172.6	-179.6	177.4	-174.4	0	111.7	L27 L30 I79 S80 S81 N87	L27-K83 HydrophobicContact CD2-CG 4.36Å; L30-K83 HydrophobicContact CD2-CB 3.73Å; L30-K83 HydrophobicContact CD2-CG 4.2Å; I79-K83 WeakPolarHBondContact O-CB 3.13Å; I79-K83 PolarHBondContact O-N 3.24Å; S80-K83 PolarHBondContact O-N 2.77Å; S81-K83 PolarHBondContact O-N 3.04Å; K83-N87 VanDerWaalsContact O-CB 3.32Å; K83-N87 WeakPolarHBondContact O-CB 3.39Å; K83-N87 PolarHBondContact O-N 2.9Å
84	L	94.1	Very high	93.2	Very high	6 Å²	6	37.5 Å²	37.5	3%	0.031	19%	0.19	C	C	.	.	H	α-helix	trans	-67.1	-44.1	179.8	-173.5	65	0	0	0	111.7	S80 S81 L82 N87 T88 L497 A500 T501 H504	S80-L84 WeakPolarHBondContact O-CB 3.35Å; S80-L84 PolarHBondContact O-N 3.31Å; S81-L84 PolarHBondContact O-N 3.44Å; L82-L84 VanDerWaalsContact C-N 3.32Å; L82-L84 PolarHBondContact O-N 3.42Å; L84-N87 PolarHBondContact O-N 3.23Å; L84-T88 HydrophobicContact CD1-CG2 4.31Å; L84-T88 WeakPolarHBondContact O-CB 3.42Å; L84-T88 WeakPolarHBondContact O-CG2 3.35Å; L84-T88 PolarHBondContact O-N 3.27Å; L84-T88 PolarHBondContact O-OG1 2.92Å; L84-L497 HydrophobicContact CD1-CD1 3.83Å; L84-A500 HydrophobicContact CD1-CB 4.3Å; L84-T501 HydrophobicContact CD1-CG2 3.62Å; L84-T501 HydrophobicContact CD2-CG2 4.06Å; L84-T501 HydrophobicContact CG-CG2 4.43Å; L84-H504 HydrophobicContact CD2-CB 4.36Å
85	H	94.5	Very high	92.9	Very high	13 Å²	13	37.7 Å²	37.7	6%	0.06	19%	0.193	C	C	.	.	H	α-helix	trans	-61.8	-47.9	176.5	173.8	64.4	0	0	0	112.3	S81 L82 N87 T88 H89 S99 R103	S81-H85 WeakPolarHBondContact O-CB 3.31Å; S81-H85 PolarHBondContact O-N 3.45Å; L82-H85 PolarHBondContact O-N 3.48Å; H85-N87 VanDerWaalsContact C-N 3.34Å; H85-N87 PolarHBondContact O-N 2.9Å; H85-T88 PolarHBondContact O-N 3.27Å; H85-T88 PolarHBondContact O-OG1 2.76Å; H85-T88 VanDerWaalsContact O-OG1 3.09Å; H85-H89 WeakPolarHBondContact O-CB 3.44Å; H85-H89 PolarHBondContact O-N 3.18Å; H85-S99 WeakPolarHBondContact CA-OG 3.2Å; H85-R103 PolarHBondContact CD2-NH1 3.35Å; H85-R103 PolarHBondContact NE2-NH1 2.91Å
86	V	94	Very high	92.7	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.012	20%	0.197	C	C	.	.	H	α-helix	trans	-61	-45.2	178.1	169.5	0	0	0	0	110.8	V24 L27 L82 Q90	V24-V86 HydrophobicContact CG1-CG2 4.02Å; V24-V86 WeakPolarHBondContact O-CG2 3.5Å; L27-V86 HydrophobicContact CD2-CG1 4.34Å; L27-V86 HydrophobicContact CG-CG1 4.16Å; L82-V86 WeakPolarHBondContact O-CB 3.49Å; L82-V86 VanDerWaalsContact O-CG2 3.27Å; L82-V86 WeakPolarHBondContact O-CG2 3.26Å; L82-V86 PolarHBondContact O-N 3.36Å; V86-Q90 WeakPolarHBondContact O-CB 3.41Å; V86-Q90 PolarHBondContact O-N 3.43Å
87	N	92.9	Very high	92.4	Very high	19 Å²	19	38.1 Å²	38.1	10%	0.102	20%	0.204	C	C	.	.	H	α-helix	trans	-63	-44.9	179.7	-173.9	37.1	0	0	0	112.1	K83 L84 H85 N91 G493	K83-N87 VanDerWaalsContact O-CB 3.32Å; K83-N87 WeakPolarHBondContact O-CB 3.39Å; K83-N87 PolarHBondContact O-N 2.9Å; L84-N87 PolarHBondContact O-N 3.23Å; H85-N87 VanDerWaalsContact C-N 3.34Å; H85-N87 PolarHBondContact O-N 2.9Å; N87-N91 WeakPolarHBondContact O-CB 3.29Å; N87-N91 PolarHBondContact O-N 3.27Å; N87-N91 PolarHBondContact O-ND2 3.48Å; N87-N91 VanDerWaalsContact O-ND2 3.08Å; N87-N91 PolarHBondContact OD1-ND2 3.39Å; N87-G493 PolarHBondContact ND2-O 3.36Å; N87-G493 VanDerWaalsContact ND2-O 3.16Å
88	T	92.4	Very high	92.2	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-71.6	-41.5	-177.6	49.3	0	0	0	0	112	L84 H85 H92 L93 S99 L497	L84-T88 HydrophobicContact CD1-CG2 4.31Å; L84-T88 WeakPolarHBondContact O-CB 3.42Å; L84-T88 WeakPolarHBondContact O-CG2 3.35Å; L84-T88 PolarHBondContact O-N 3.27Å; L84-T88 PolarHBondContact O-OG1 2.92Å; H85-T88 PolarHBondContact O-N 3.27Å; H85-T88 PolarHBondContact O-OG1 2.76Å; H85-T88 VanDerWaalsContact O-OG1 3.09Å; T88-H92 WeakPolarHBondContact O-CA 3.46Å; T88-H92 PolarHBondContact O-N 2.91Å; T88-H92 VanDerWaalsContact O-N 3.09Å; T88-L93 HydrophobicContact CG2-CB 4.35Å; T88-L93 PolarHBondContact O-N 3.35Å; T88-S99 PolarHBondContact OG1-OG 2.7Å; T88-L497 HydrophobicContact CG2-CD1 3.62Å
89	H	91	Very high	92.1	Very high	100 Å²	100	39.1 Å²	39.1	46%	0.463	21%	0.209	S	C	.	.	H	α-helix	trans	-69.1	-48.7	178.3	-175.1	-84.5	0	0	0	112.4	H85 N91 H92	H85-H89 WeakPolarHBondContact O-CB 3.44Å; H85-H89 PolarHBondContact O-N 3.18Å; H89-N91 VanDerWaalsContact C-N 3.29Å; H89-N91 PolarHBondContact O-N 2.95Å; H89-H92 PolarHBondContact O-N 2.73Å
90	Q	89.5	Confident	91.9	Very high	89 Å²	89	40.9 Å²	40.9	42%	0.416	22%	0.216	S	C	.	.	H	α-helix	trans	-64.1	-34.5	-176.9	-174.8	178.7	-10.2	0	0	112.4	V86	V86-Q90 WeakPolarHBondContact O-CB 3.41Å; V86-Q90 PolarHBondContact O-N 3.43Å
91	N	89.1	Confident	91.6	Very high	43 Å²	43	41.1 Å²	41.1	23%	0.23	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	7.4	-177.3	-61.8	-52.5	0	0	0	113.6	N87 H89 L93 P492	N87-N91 WeakPolarHBondContact O-CB 3.29Å; N87-N91 PolarHBondContact O-N 3.27Å; N87-N91 PolarHBondContact O-ND2 3.48Å; N87-N91 VanDerWaalsContact O-ND2 3.08Å; N87-N91 PolarHBondContact OD1-ND2 3.39Å; H89-N91 VanDerWaalsContact C-N 3.29Å; H89-N91 PolarHBondContact O-N 2.95Å; N91-L93 HydrophobicContact CB-CD1 3.82Å; N91-L93 HydrophobicContact CB-CG 3.8Å; N91-L93 PolarHBondContact O-N 2.71Å; N91-P492 VanDerWaalsContact CB-O 3.27Å; N91-P492 WeakPolarHBondContact CB-O 3.45Å
92	H	89	Confident	91.5	Very high	168 Å²	168	41.1 Å²	41.1	78%	0.778	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	38.2	-177.7	-55.5	-64.6	0	0	0	114.1	T88 H89	T88-H92 WeakPolarHBondContact O-CA 3.46Å; T88-H92 PolarHBondContact O-N 2.91Å; T88-H92 VanDerWaalsContact O-N 3.09Å; H89-H92 PolarHBondContact O-N 2.73Å
93	L	90.7	Very high	91.5	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.026	22%	0.221	C	C	.	.			trans	-83.7	154.3	178.8	-58.9	166	0	0	0	110.2	T88 N91 L488 Q491 L497	T88-L93 HydrophobicContact CG2-CB 4.35Å; T88-L93 PolarHBondContact O-N 3.35Å; N91-L93 HydrophobicContact CB-CD1 3.82Å; N91-L93 HydrophobicContact CB-CG 3.8Å; N91-L93 PolarHBondContact O-N 2.71Å; L93-L488 HydrophobicContact CD2-CD2 4.3Å; L93-Q491 HydrophobicContact CD2-CB 4.08Å; L93-L497 HydrophobicContact CB-CD2 3.94Å; L93-L497 HydrophobicContact CD1-CD1 4.32Å; L93-L497 HydrophobicContact CD1-CD2 4.07Å; L93-L497 HydrophobicContact CG-CD2 4.43Å
94	P	88.8	Confident	91.2	Very high	45 Å²	45	36.3 Å²	36.3	29%	0.292	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	155.2	175.9	31.2	-37.1	0	0	0	111.1	L482 L488	P94-L482 HydrophobicContact CB-CB 4.2Å; P94-L488 HydrophobicContact CG-CD1 3.59Å; P94-L488 HydrophobicContact CG-CD2 3.94Å; P94-L488 HydrophobicContact CG-CG 4.43Å
95	G	86.7	Confident	91.1	Very high	6 Å²	6	36.5 Å²	36.5	6%	0.062	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.2	6.5	-175.6	0	0	0	0	0	115.1	A97 E98 S99	G95-A97 VanDerWaalsContact C-N 3.34Å; G95-A97 PolarHBondContact O-N 2.98Å; G95-E98 VanDerWaalsContact CA-OE2 3.25Å; G95-E98 WeakPolarHBondContact CA-OE2 3.4Å; G95-E98 PolarHBondContact O-N 2.93Å; G95-S99 WeakPolarHBondContact O-CB 3.48Å; G95-S99 PolarHBondContact O-N 3.05Å; G95-S99 PolarHBondContact O-OG 2.63Å
96	A	90.4	Very high	91	Very high	28 Å²	28	35.9 Å²	35.9	23%	0.231	20%	0.197	C	C	.	.	H	α-helix	trans	-63	-37.9	179.8	0	0	0	0	0	112.7	S99 Q100	A96-S99 WeakPolarHBondContact CA-OG 3.37Å; A96-S99 PolarHBondContact O-OG 3.44Å; A96-S99 VanDerWaalsContact O-OG 3.05Å; A96-Q100 VanDerWaalsContact O-CB 3.26Å; A96-Q100 WeakPolarHBondContact O-CB 3.48Å; A96-Q100 PolarHBondContact O-N 2.87Å
97	A	89.4	Confident	90.9	Very high	69 Å²	69	36.8 Å²	36.8	57%	0.57	20%	0.202	S	C	*	.	H	α-helix	trans	-70.4	-44.2	178.1	0	0	0	0	0	111.8	G95 Q100 A101	G95-A97 VanDerWaalsContact C-N 3.34Å; G95-A97 PolarHBondContact O-N 2.98Å; A97-Q100 PolarHBondContact O-N 3.18Å; A97-A101 WeakPolarHBondContact O-CB 3.37Å; A97-A101 PolarHBondContact O-N 2.87Å
98	E	92.5	Very high	90.6	Very high	31 Å²	31	36.8 Å²	36.8	15%	0.145	20%	0.203	C	C	.	.	H	α-helix	trans	-61.6	-47.6	176.8	-69.7	76.6	-176.8	0	0	111.4	G95 Q100 A101 N102 L475 R478 A479	G95-E98 VanDerWaalsContact CA-OE2 3.25Å; G95-E98 WeakPolarHBondContact CA-OE2 3.4Å; G95-E98 PolarHBondContact O-N 2.93Å; E98-Q100 VanDerWaalsContact C-N 3.35Å; E98-Q100 PolarHBondContact O-N 2.92Å; E98-A101 PolarHBondContact O-N 3.22Å; E98-N102 PolarHBondContact O-N 2.84Å; E98-N102 PolarHBondContact O-OD1 3.5Å; E98-L475 HydrophobicContact CB-CB 4.28Å; E98-L475 HydrophobicContact CG-CB 4.38Å; E98-L475 HydrophobicContact CG-CD2 4.12Å; E98-R478 HydrophobicContact CG-CB 4.2Å; E98-R478 HydrophobicContact CG-CG 4.2Å; E98-R478 VanDerWaalsContact OE1-CD 3.29Å; E98-R478 WeakPolarHBondContact OE1-CD 3.33Å; E98-A479 HydrophobicContact CB-CB 4.11Å
99	S	92.4	Very high	90.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-66.9	-34.3	178.1	58.9	0	0	0	0	112.7	H85 T88 G95 A96 R103	H85-S99 WeakPolarHBondContact CA-OG 3.2Å; T88-S99 PolarHBondContact OG1-OG 2.7Å; G95-S99 WeakPolarHBondContact O-CB 3.48Å; G95-S99 PolarHBondContact O-N 3.05Å; G95-S99 PolarHBondContact O-OG 2.63Å; A96-S99 WeakPolarHBondContact CA-OG 3.37Å; A96-S99 PolarHBondContact O-OG 3.44Å; A96-S99 VanDerWaalsContact O-OG 3.05Å; S99-R103 WeakPolarHBondContact O-CB 3.46Å; S99-R103 PolarHBondContact O-N 3.01Å
100	Q	91.4	Very high	90.4	Very high	81 Å²	81	32.8 Å²	32.8	38%	0.379	19%	0.185	S	C	.	.	H	α-helix	trans	-63.4	-46.5	171.4	-176.3	178.8	-13.5	0	0	111.5	A96 A97 E98 N102 R103 D104	A96-Q100 VanDerWaalsContact O-CB 3.26Å; A96-Q100 WeakPolarHBondContact O-CB 3.48Å; A96-Q100 PolarHBondContact O-N 2.87Å; A97-Q100 PolarHBondContact O-N 3.18Å; E98-Q100 VanDerWaalsContact C-N 3.35Å; E98-Q100 PolarHBondContact O-N 2.92Å; Q100-N102 VanDerWaalsContact C-N 3.34Å; Q100-N102 PolarHBondContact O-N 3.14Å; Q100-R103 WeakPolarHBondContact O-CB 3.48Å; Q100-R103 PolarHBondContact O-N 2.99Å; Q100-R103 VanDerWaalsContact O-N 3.16Å; Q100-D104 PolarHBondContact O-N 3.37Å
101	A	90.2	Very high	90.3	Very high	31 Å²	31	29.8 Å²	29.8	26%	0.256	17%	0.174	S	C	.	.	H	α-helix	trans	-61.4	-42.5	178.2	0	0	0	0	0	111.8	A97 E98 R103 D104 F105 Q472 L475	A97-A101 WeakPolarHBondContact O-CB 3.37Å; A97-A101 PolarHBondContact O-N 2.87Å; E98-A101 PolarHBondContact O-N 3.22Å; A101-R103 VanDerWaalsContact C-N 3.35Å; A101-R103 PolarHBondContact O-N 3.42Å; A101-D104 PolarHBondContact O-N 3.5Å; A101-F105 WeakPolarHBondContact O-CB 3.43Å; A101-F105 PolarHBondContact O-N 2.87Å; A101-Q472 PolarHBondContact O-OE1 2.75Å; A101-L475 HydrophobicContact CB-CD1 3.67Å
102	N	94	Very high	89.9	Confident	0 Å²	0	29 Å²	29	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.3	-42.6	173.5	-70.1	155	0	0	0	112	S81 E98 Q100 D104 F105 L106 Q472	S81-N102 VanDerWaalsContact OG-C 3.28Å; S81-N102 WeakPolarHBondContact OG-CB 3.36Å; E98-N102 PolarHBondContact O-N 2.84Å; E98-N102 PolarHBondContact O-OD1 3.5Å; Q100-N102 VanDerWaalsContact C-N 3.34Å; Q100-N102 PolarHBondContact O-N 3.14Å; N102-D104 PolarHBondContact O-N 3.06Å; N102-F105 PolarHBondContact O-N 3.45Å; N102-L106 WeakPolarHBondContact O-CD1 3.37Å; N102-L106 WeakPolarHBondContact O-CG 3.39Å; N102-L106 PolarHBondContact O-N 3.42Å; N102-Q472 PolarHBondContact ND2-O 3.28Å; N102-Q472 PolarHBondContact ND2-OE1 2.89Å
103	R	93.4	Very high	89.8	Confident	8 Å²	8	21.2 Å²	21.2	3%	0.03	14%	0.136	C	C	.	.	H	α-helix	trans	-59.2	-49.7	177.4	-179.4	-153.9	77.4	-176.8	14	110.6	S81 L82 H85 S99 Q100 A101 F105 L106 L107	S81-R103 VanDerWaalsContact OG-CA 3.24Å; S81-R103 WeakPolarHBondContact OG-CA 3.22Å; S81-R103 PolarHBondContact OG-N 3.33Å; L82-R103 HydrophobicContact CD2-CG 3.57Å; L82-R103 HydrophobicContact CG-CG 4.11Å; H85-R103 PolarHBondContact CD2-NH1 3.35Å; H85-R103 PolarHBondContact NE2-NH1 2.91Å; S99-R103 WeakPolarHBondContact O-CB 3.46Å; S99-R103 PolarHBondContact O-N 3.01Å; Q100-R103 WeakPolarHBondContact O-CB 3.48Å; Q100-R103 PolarHBondContact O-N 2.99Å; Q100-R103 VanDerWaalsContact O-N 3.16Å; A101-R103 VanDerWaalsContact C-N 3.35Å; A101-R103 PolarHBondContact O-N 3.42Å; R103-F105 VanDerWaalsContact C-N 3.32Å; R103-F105 PolarHBondContact O-N 3.45Å; R103-L106 PolarHBondContact O-N 3.28Å; R103-L107 HydrophobicContact CG-CD1 3.95Å; R103-L107 WeakPolarHBondContact O-CB 3.41Å; R103-L107 WeakPolarHBondContact O-CG 3.25Å; R103-L107 PolarHBondContact O-N 3.43Å
104	D	89	Confident	89.8	Confident	18 Å²	18	21 Å²	21	10%	0.096	13%	0.134	C	C	.	.	H	α-helix	trans	-68.3	-32.1	-177.2	-69.2	-19.4	0	0	0	112.5	Q100 A101 N102 S108 K171	Q100-D104 PolarHBondContact O-N 3.37Å; A101-D104 PolarHBondContact O-N 3.5Å; N102-D104 PolarHBondContact O-N 3.06Å; D104-S108 WeakPolarHBondContact O-CB 3.25Å; D104-S108 PolarHBondContact O-N 2.86Å; D104-K171 PolarHBondContact O-NZ 3.25Å
105	F	90.9	Very high	89.5	Confident	9 Å²	9	19.7 Å²	19.7	4%	0.039	12%	0.124	C	C	.	.	H	α-helix	trans	-63.4	-55.7	169.3	175.3	-102.3	0	0	0	111.8	A101 N102 R103 L107 S108 E109 E468 L469 Q472	A101-F105 WeakPolarHBondContact O-CB 3.43Å; A101-F105 PolarHBondContact O-N 2.87Å; N102-F105 PolarHBondContact O-N 3.45Å; R103-F105 VanDerWaalsContact C-N 3.32Å; R103-F105 PolarHBondContact O-N 3.45Å; F105-L107 VanDerWaalsContact C-N 3.33Å; F105-L107 PolarHBondContact O-N 3.45Å; F105-S108 WeakPolarHBondContact O-CB 3.45Å; F105-S108 PolarHBondContact O-N 3.26Å; F105-S108 VanDerWaalsContact O-N 3.08Å; F105-E109 WeakPolarHBondContact CE1-OE2 3.22Å; F105-E109 WeakPolarHBondContact CZ-OE2 3.4Å; F105-E109 WeakPolarHBondContact O-CB 3.29Å; F105-E109 PolarHBondContact O-N 3.49Å; F105-E468 HydrophobicContact CD2-CG 3.79Å; F105-E468 WeakPolarHBondContact CD2-OE1 3.39Å; F105-E468 HydrophobicContact CE2-CB 4.06Å; F105-E468 HydrophobicContact CE2-CG 3.55Å; F105-L469 HydrophobicContact CE1-CD1 3.8Å; F105-L469 HydrophobicContact CZ-CB 4.2Å; F105-L469 HydrophobicContact CZ-CD1 4.13Å; F105-Q472 VanDerWaalsContact CB-CD 3.46Å; F105-Q472 HydrophobicContact CB-CG 3.79Å; F105-Q472 HydrophobicContact CD1-CB 4.16Å; F105-Q472 HydrophobicContact CD1-CG 3.64Å; F105-Q472 HydrophobicContact CD2-CG 3.72Å; F105-Q472 HydrophobicContact CE1-CB 4.47Å; F105-Q472 HydrophobicContact CE1-CG 4.11Å; F105-Q472 HydrophobicContact CE2-CG 4.19Å; F105-Q472 HydrophobicContact CG-CB 4.4Å; F105-Q472 HydrophobicContact CG-CG 3.42Å; F105-Q472 VanDerWaalsContact CG-CG 3.42Å; F105-Q472 HydrophobicContact CZ-CG 4.37Å
106	L	93.5	Very high	89.2	Confident	1 Å²	1	21.1 Å²	21.1	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-65.8	-34.6	-175.3	-69.3	161.9	0	0	0	112.9	L74 I77 L78 S81 N102 R103 S108 M110 M508	L74-L106 HydrophobicContact CD2-CD2 4.12Å; I77-L106 HydrophobicContact CB-CD2 4.24Å; I77-L106 HydrophobicContact CG2-CD1 3.71Å; I77-L106 HydrophobicContact CG2-CD2 3.72Å; I77-L106 HydrophobicContact CG2-CG 4.39Å; L78-L106 HydrophobicContact CB-CB 4.3Å; L78-L106 HydrophobicContact CD1-CB 3.88Å; S81-L106 VanDerWaalsContact CB-CD1 3.45Å; N102-L106 WeakPolarHBondContact O-CD1 3.37Å; N102-L106 WeakPolarHBondContact O-CG 3.39Å; N102-L106 PolarHBondContact O-N 3.42Å; R103-L106 PolarHBondContact O-N 3.28Å; L106-S108 VanDerWaalsContact C-N 3.34Å; L106-M110 VanDerWaalsContact O-CB 3.25Å; L106-M110 WeakPolarHBondContact O-CB 3.21Å; L106-M110 PolarHBondContact O-N 2.53Å; L106-M508 HydrophobicContact CD1-SD 4.31Å; L106-M508 HydrophobicContact CD2-SD 4.34Å
107	L	91.6	Very high	89.1	Confident	20 Å²	20	19.9 Å²	19.9	11%	0.105	12%	0.119	C	C	.	.	H	α-helix	trans	-62.6	-43	172.4	-77	170.7	0	0	0	111.6	L18 A21 L78 R103 F105 S111	L18-L107 HydrophobicContact CD2-CD2 4.08Å; A21-L107 HydrophobicContact CB-CD1 3.73Å; A21-L107 HydrophobicContact CB-CD2 3.57Å; A21-L107 HydrophobicContact CB-CG 4.31Å; L78-L107 HydrophobicContact CD1-CD2 3.73Å; L78-L107 HydrophobicContact CD1-CG 3.74Å; L78-L107 HydrophobicContact CD2-CD2 4.01Å; L78-L107 HydrophobicContact CG-CD2 4.47Å; R103-L107 HydrophobicContact CG-CD1 3.95Å; R103-L107 WeakPolarHBondContact O-CB 3.41Å; R103-L107 WeakPolarHBondContact O-CG 3.25Å; R103-L107 PolarHBondContact O-N 3.43Å; F105-L107 VanDerWaalsContact C-N 3.33Å; F105-L107 PolarHBondContact O-N 3.45Å; L107-S111 WeakPolarHBondContact O-CB 3.49Å; L107-S111 PolarHBondContact O-N 3.38Å; L107-S111 PolarHBondContact O-OG 3.22Å
108	S	85.9	Confident	88.9	Confident	20 Å²	20	16.9 Å²	16.9	14%	0.14	9%	0.093	C	C	.	.	H	α-helix	trans	-67.6	-43.3	177.5	-179	0	0	0	0	112.2	D104 F105 L106 S111 S112 K171	D104-S108 WeakPolarHBondContact O-CB 3.25Å; D104-S108 PolarHBondContact O-N 2.86Å; F105-S108 WeakPolarHBondContact O-CB 3.45Å; F105-S108 PolarHBondContact O-N 3.26Å; F105-S108 VanDerWaalsContact O-N 3.08Å; L106-S108 VanDerWaalsContact C-N 3.34Å; S108-S111 PolarHBondContact O-N 2.93Å; S108-S112 WeakPolarHBondContact O-CB 3.46Å; S108-S112 PolarHBondContact O-N 2.95Å; S108-K171 WeakPolarHBondContact OG-CD 3.43Å
109	E	87.9	Confident	88.4	Confident	17 Å²	17	15.8 Å²	15.8	8%	0.079	9%	0.087	C	C	.	.	H	α-helix	trans	-63.7	-48	-179.9	-166.8	178.5	-167.7	0	0	110.6	L74 F105 S111 S112 E113 H511	L74-E109 HydrophobicContact CD1-CB 4.36Å; L74-E109 HydrophobicContact CD1-CG 3.86Å; L74-E109 HydrophobicContact CD2-CG 4.32Å; L74-E109 WeakPolarHBondContact CD2-OE2 3.43Å; F105-E109 WeakPolarHBondContact CE1-OE2 3.22Å; F105-E109 WeakPolarHBondContact CZ-OE2 3.4Å; F105-E109 WeakPolarHBondContact O-CB 3.29Å; F105-E109 PolarHBondContact O-N 3.49Å; E109-S111 VanDerWaalsContact C-N 3.32Å; E109-S111 PolarHBondContact O-N 3.47Å; E109-S112 WeakPolarHBondContact O-CB 3.31Å; E109-S112 PolarHBondContact O-N 3.15Å; E109-S112 VanDerWaalsContact O-N 3.17Å; E109-E113 PolarHBondContact O-N 3.39Å; E109-H511 IonicContact OE1-CE1 3.34Å; E109-H511 PolarHBondContact OE1-CE1 3.23Å; E109-H511 IonicContact OE1-NE2 3.19Å; E109-H511 IonicContact OE2-CE1 2.95Å; E109-H511 PolarHBondContact OE2-CE1 3.46Å
110	M	91.7	Very high	87.8	Confident	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-57.5	-45.6	174	-176.2	67.9	82.7	0	0	111.7	L18 M41 V71 L74 L78 L106 S112 E113 I114	L18-M110 HydrophobicContact CD1-CB 4.36Å; L18-M110 HydrophobicContact CD1-CG 3.67Å; L18-M110 HydrophobicContact CD2-CG 4.35Å; M41-M110 HydrophobicContact SD-CE 4.25Å; M41-M110 HydrophobicContact SD-SD 4.37Å; V71-M110 HydrophobicContact CB-SD 4.11Å; V71-M110 HydrophobicContact CG1-SD 3.84Å; V71-M110 HydrophobicContact CG2-SD 3.98Å; L74-M110 HydrophobicContact CB-CE 3.48Å; L74-M110 VanDerWaalsContact CB-CE 3.48Å; L74-M110 HydrophobicContact CB-SD 4.21Å; L78-M110 HydrophobicContact CD2-CE 4.43Å; L106-M110 VanDerWaalsContact O-CB 3.25Å; L106-M110 WeakPolarHBondContact O-CB 3.21Å; L106-M110 PolarHBondContact O-N 2.53Å; M110-S112 VanDerWaalsContact C-N 3.34Å; M110-S112 PolarHBondContact O-N 2.85Å; M110-E113 PolarHBondContact O-N 3.39Å; M110-I114 HydrophobicContact CG-CD1 4.18Å; M110-I114 WeakPolarHBondContact O-CG1 3.45Å; M110-I114 PolarHBondContact O-N 3.14Å; M110-I114 VanDerWaalsContact O-N 3.12Å
111	S	88.2	Confident	87.5	Confident	26 Å²	26	12.4 Å²	12.4	18%	0.182	7%	0.072	C	C	.	.	H	α-helix	trans	-64.3	-40.5	178.4	-59.7	0	0	0	0	111.4	L107 S108 E109 I114 H115	L107-S111 WeakPolarHBondContact O-CB 3.49Å; L107-S111 PolarHBondContact O-N 3.38Å; L107-S111 PolarHBondContact O-OG 3.22Å; S108-S111 PolarHBondContact O-N 2.93Å; E109-S111 VanDerWaalsContact C-N 3.32Å; E109-S111 PolarHBondContact O-N 3.47Å; S111-I114 PolarHBondContact O-N 3.2Å; S111-H115 PolarHBondContact O-N 3.25Å; S111-H115 PolarHBondContact O-ND1 2.86Å
112	S	81.2	Confident	87.1	Confident	27 Å²	27	15.4 Å²	15.4	19%	0.189	8%	0.081	C	C	.	.	H	α-helix	trans	-60.2	-45.9	177.6	-176.8	0	0	0	0	111.5	S108 E109 M110 I114 H115 E116 R149	S108-S112 WeakPolarHBondContact O-CB 3.46Å; S108-S112 PolarHBondContact O-N 2.95Å; E109-S112 WeakPolarHBondContact O-CB 3.31Å; E109-S112 PolarHBondContact O-N 3.15Å; E109-S112 VanDerWaalsContact O-N 3.17Å; M110-S112 VanDerWaalsContact C-N 3.34Å; M110-S112 PolarHBondContact O-N 2.85Å; S112-I114 VanDerWaalsContact C-N 3.34Å; S112-I114 PolarHBondContact O-N 2.97Å; S112-H115 PolarHBondContact O-N 2.84Å; S112-E116 PolarHBondContact O-N 3.26Å; S112-R149 PolarHBondContact OG-NH2 3.43Å
113	E	86.2	Confident	86.1	Confident	4 Å²	4	16.9 Å²	16.9	2%	0.019	9%	0.089	C	C	.	.	H	α-helix	trans	-64.8	-36.3	178	-69	-66.1	175.3	0	0	112.2	R66 Q70 V71 L74 E109 M110 E116 I117	R66-E113 IonicContact CZ-OE1 3.93Å; R66-E113 IonicContact CZ-OE2 2.66Å; R66-E113 IonicContact NH1-OE1 2.86Å; R66-E113 PolarHBondContact NH1-OE1 3.24Å; R66-E113 VanDerWaalsContact NH1-OE1 3.09Å; R66-E113 IonicContact NH1-OE2 2.7Å; R66-E113 PolarHBondContact NH1-OE2 2.96Å; R66-E113 IonicContact NH2-OE1 3.73Å; R66-E113 IonicContact NH2-OE2 2.86Å; R66-E113 PolarHBondContact NH2-OE2 3.34Å; Q70-E113 HydrophobicContact CB-CG 4.01Å; V71-E113 HydrophobicContact CG2-CB 4.37Å; L74-E113 HydrophobicContact CD1-CG 4.31Å; E109-E113 PolarHBondContact O-N 3.39Å; M110-E113 PolarHBondContact O-N 3.39Å; E113-E116 PolarHBondContact O-N 2.83Å; E113-I117 WeakPolarHBondContact O-CG1 3.36Å; E113-I117 PolarHBondContact O-N 3.48Å
114	I	91.1	Very high	84.9	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-67.6	-37.6	174.4	-63.8	166.3	0	0	0	111.6	C11 V14 L15 L18 M44 V71 M110 S111 S112 E116 I117 I118	C11-I114 HydrophobicContact CB-CG2 3.83Å; V14-I114 HydrophobicContact CB-CD1 4.19Å; V14-I114 HydrophobicContact CG1-CD1 3.51Å; L15-I114 HydrophobicContact CD1-CG2 4.03Å; L15-I114 HydrophobicContact CD2-CB 4.06Å; L15-I114 HydrophobicContact CD2-CD1 4.31Å; L15-I114 HydrophobicContact CD2-CG2 4.08Å; L15-I114 HydrophobicContact CG-CB 4.35Å; L15-I114 HydrophobicContact CG-CG2 3.8Å; L18-I114 HydrophobicContact CD1-CD1 3.72Å; M44-I114 HydrophobicContact CE-CD1 4.39Å; M44-I114 HydrophobicContact CE-CG1 4.07Å; M44-I114 HydrophobicContact SD-CD1 4.42Å; M44-I114 HydrophobicContact SD-CG1 4.19Å; M44-I114 HydrophobicContact SD-CG2 4.06Å; V71-I114 HydrophobicContact CG2-CG1 4.17Å; M110-I114 HydrophobicContact CG-CD1 4.18Å; M110-I114 WeakPolarHBondContact O-CG1 3.45Å; M110-I114 PolarHBondContact O-N 3.14Å; M110-I114 VanDerWaalsContact O-N 3.12Å; S111-I114 PolarHBondContact O-N 3.2Å; S112-I114 VanDerWaalsContact C-N 3.34Å; S112-I114 PolarHBondContact O-N 2.97Å; I114-E116 VanDerWaalsContact C-N 3.32Å; I114-I117 PolarHBondContact O-N 3.15Å; I114-I118 HydrophobicContact CG2-CD1 4.4Å; I114-I118 WeakPolarHBondContact O-CG1 3.3Å; I114-I118 PolarHBondContact O-N 2.7Å
115	H	83	Confident	83.2	Confident	18 Å²	18	25.2 Å²	25.2	8%	0.083	13%	0.134	C	C	.	.	H	α-helix	trans	-65.1	-36.8	173	-71.4	96.4	0	0	0	111.7	S111 S112 I118 R119	S111-H115 PolarHBondContact O-N 3.25Å; S111-H115 PolarHBondContact O-ND1 2.86Å; S112-H115 PolarHBondContact O-N 2.84Å; H115-I118 WeakPolarHBondContact O-CB 3.41Å; H115-I118 PolarHBondContact O-N 3.48Å; H115-R119 PolarHBondContact O-N 3.34Å
116	E	79.3	Confident	81	Confident	36 Å²	36	29.8 Å²	29.8	17%	0.168	16%	0.163	C	C	.	.	H	α-helix	trans	-65.3	-37.4	173.2	-80	-57.4	111.7	0	0	112.5	S112 E113 I114 R119 G120	S112-E116 PolarHBondContact O-N 3.26Å; E113-E116 PolarHBondContact O-N 2.83Å; I114-E116 VanDerWaalsContact C-N 3.32Å; E116-R119 WeakPolarHBondContact O-CB 3.37Å; E116-R119 PolarHBondContact O-N 3.47Å; E116-R119 IonicContact OE1-NE 3.69Å; E116-R119 PolarHBondContact OE1-NE 3.01Å; E116-R119 IonicContact OE2-CZ 2.96Å; E116-R119 VanDerWaalsContact OE2-CZ 3.27Å; E116-R119 IonicContact OE2-NE 3.21Å; E116-R119 PolarHBondContact OE2-NE 3.34Å; E116-R119 IonicContact OE2-NH2 3.2Å; E116-R119 PolarHBondContact OE2-NH2 2.96Å; E116-G120 PolarHBondContact O-N 3.42Å
117	I	88.3	Confident	78.5	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-61.7	-46.2	171	-69.3	168.5	0	0	0	110.5	V48 L64 V71 E113 I114 R119 G120 L121	V48-I117 HydrophobicContact CB-CG2 4.44Å; V48-I117 HydrophobicContact CG1-CG2 3.83Å; V48-I117 HydrophobicContact CG2-CG2 3.66Å; L64-I117 HydrophobicContact CD2-CG2 4.22Å; V71-I117 HydrophobicContact CG2-CD1 4.02Å; E113-I117 WeakPolarHBondContact O-CG1 3.36Å; E113-I117 PolarHBondContact O-N 3.48Å; I114-I117 PolarHBondContact O-N 3.15Å; I117-R119 VanDerWaalsContact C-N 3.27Å; I117-R119 PolarHBondContact O-N 3Å; I117-G120 PolarHBondContact O-N 3.13Å; I117-L121 HydrophobicContact CG2-CD1 3.97Å; I117-L121 HydrophobicContact CG2-CG 4.39Å; I117-L121 VanDerWaalsContact O-CG 3.26Å; I117-L121 WeakPolarHBondContact O-CG 3.25Å; I117-L121 PolarHBondContact O-N 3.42Å
118	I	86.2	Confident	76.1	Confident	6 Å²	6	32.7 Å²	32.7	3%	0.031	18%	0.182	C	C	.	.	H	α-helix	trans	-57.6	-44.5	176.6	-69.6	168.6	0	0	0	110.1	I8 C11 R12 L15 I114 H115 L121 Q122	I8-I118 HydrophobicContact CD1-CG2 4.39Å; I8-I118 HydrophobicContact CG1-CG2 4.27Å; I8-I118 HydrophobicContact CG2-CG2 4.31Å; C11-I118 HydrophobicContact CB-CD1 3.69Å; C11-I118 HydrophobicContact CB-CG1 3.5Å; R12-I118 HydrophobicContact CG-CD1 4.46Å; L15-I118 HydrophobicContact CD1-CD1 3.95Å; I114-I118 HydrophobicContact CG2-CD1 4.4Å; I114-I118 WeakPolarHBondContact O-CG1 3.3Å; I114-I118 PolarHBondContact O-N 2.7Å; H115-I118 WeakPolarHBondContact O-CB 3.41Å; H115-I118 PolarHBondContact O-N 3.48Å; I118-L121 PolarHBondContact O-N 2.93Å; I118-Q122 WeakPolarHBondContact O-CG 3.49Å; I118-Q122 PolarHBondContact O-N 3.13Å
119	R	81.5	Confident	74	Confident	8 Å²	8	32.1 Å²	32.1	3%	0.03	18%	0.178	C	C	.	.	H	α-helix	trans	-58.8	-51.6	176.2	-171.6	-175.1	68	81.7	-9.3	111	H115 E116 I117 L121 Q122 L123 M141 A144	H115-R119 PolarHBondContact O-N 3.34Å; E116-R119 WeakPolarHBondContact O-CB 3.37Å; E116-R119 PolarHBondContact O-N 3.47Å; E116-R119 IonicContact OE1-NE 3.69Å; E116-R119 PolarHBondContact OE1-NE 3.01Å; E116-R119 IonicContact OE2-CZ 2.96Å; E116-R119 VanDerWaalsContact OE2-CZ 3.27Å; E116-R119 IonicContact OE2-NE 3.21Å; E116-R119 PolarHBondContact OE2-NE 3.34Å; E116-R119 IonicContact OE2-NH2 3.2Å; E116-R119 PolarHBondContact OE2-NH2 2.96Å; I117-R119 VanDerWaalsContact C-N 3.27Å; I117-R119 PolarHBondContact O-N 3Å; R119-L121 VanDerWaalsContact C-N 3.26Å; R119-L121 PolarHBondContact O-N 2.82Å; R119-Q122 PolarHBondContact O-N 2.7Å; R119-L123 PolarHBondContact O-N 2.77Å; R119-M141 VanDerWaalsContact CZ-SD 3.5Å; R119-M141 VanDerWaalsContact NH1-CG 3.29Å; R119-M141 PolarHBondContact NH1-SD 3.47Å; R119-M141 PolarHBondContact NH2-SD 3.28Å; R119-A144 HydrophobicContact CG-CB 3.76Å
120	G	78.8	Confident	71.6	Confident	2 Å²	2	33.6 Å²	33.6	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-56.1	-38.1	178.1	0	0	0	0	0	113.8	E116 I117 Q122 L123	E116-G120 PolarHBondContact O-N 3.42Å; I117-G120 PolarHBondContact O-N 3.13Å; G120-Q122 VanDerWaalsContact C-N 3.26Å; G120-Q122 PolarHBondContact O-N 2.85Å; G120-L123 PolarHBondContact O-N 3.02Å
121	L	85.3	Confident	69.2	Low	8 Å²	8	35.8 Å²	35.8	4%	0.042	20%	0.196	C	C	.	.	H	α-helix	trans	-69.1	-23.1	177.5	-71	167.3	0	0	0	113.5	V4 I7 I8 V48 R51 L64 I117 I118 R119	V4-L121 HydrophobicContact CG1-CB 4.29Å; V4-L121 WeakPolarHBondContact CG1-O 3.34Å; I7-L121 HydrophobicContact CB-CD1 4.12Å; I7-L121 HydrophobicContact CD1-CD2 4.17Å; I7-L121 HydrophobicContact CG2-CD1 3.47Å; I7-L121 VanDerWaalsContact CG2-CD1 3.47Å; I7-L121 HydrophobicContact CG2-CD2 4.05Å; I7-L121 HydrophobicContact CG2-CG 4.43Å; I8-L121 HydrophobicContact CG1-CD1 4.27Å; V48-L121 HydrophobicContact CG2-CD1 4.38Å; R51-L121 HydrophobicContact CB-CD2 4.26Å; R51-L121 HydrophobicContact CG-CD2 3.75Å; L64-L121 HydrophobicContact CD1-CD2 3.92Å; L64-L121 HydrophobicContact CD1-CG 4.5Å; L64-L121 HydrophobicContact CD2-CD2 4.32Å; L64-L121 HydrophobicContact CD2-CG 4.04Å; I117-L121 HydrophobicContact CG2-CD1 3.97Å; I117-L121 HydrophobicContact CG2-CG 4.39Å; I117-L121 VanDerWaalsContact O-CG 3.26Å; I117-L121 WeakPolarHBondContact O-CG 3.25Å; I117-L121 PolarHBondContact O-N 3.42Å; I118-L121 PolarHBondContact O-N 2.93Å; R119-L121 VanDerWaalsContact C-N 3.26Å; R119-L121 PolarHBondContact O-N 2.82Å
122	Q	81.7	Confident	67	Low	94 Å²	94	36.6 Å²	36.6	44%	0.439	20%	0.197	S	C	.	.	H	α-helix	trans	-91.6	-8.9	-177.4	-69.6	179.7	-62.9	0	0	113.5	I8 I118 R119 G120	I8-Q122 HydrophobicContact CD1-CG 3.61Å; I118-Q122 WeakPolarHBondContact O-CG 3.49Å; I118-Q122 PolarHBondContact O-N 3.13Å; R119-Q122 PolarHBondContact O-N 2.7Å; G120-Q122 VanDerWaalsContact C-N 3.26Å; G120-Q122 PolarHBondContact O-N 2.85Å
123	L	72.9	Confident	65.5	Low	32 Å²	32	35.5 Å²	35.5	17%	0.168	19%	0.188	C	C	.	.			trans	-66.5	133	176	-61	168.7	0	0	0	110	H60 R119 G120	H60-L123 WeakPolarHBondContact CD2-CD1 3.07Å; H60-L123 WeakPolarHBondContact NE2-CD1 3.34Å; R119-L123 PolarHBondContact O-N 2.77Å; G120-L123 PolarHBondContact O-N 3.02Å
124	T	68.2	Low	63.7	Low	88 Å²	88	36.9 Å²	36.9	54%	0.54	20%	0.196	S	C	.	.			trans	-130	150.4	179.8	52.8	0	0	0	0	110.6	T126 D127	T124-T126 PolarHBondContact O-N 3.07Å; T124-D127 PolarHBondContact O-N 2.96Å
125	E	53.5	Low	61.9	Low	113 Å²	113	38 Å²	38	53%	0.528	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	5.3	-168.3	-60.8	-178.8	152.5	0	0	117.6	T56 I57	T56-E125 PolarHBondContact OG1-OE1 3.41Å; I57-E125 HydrophobicContact CD1-CB 4.48Å; I57-E125 HydrophobicContact CD1-CG 4.02Å
126	T	45.8	Very low	60.7	Low	105 Å²	105	38.2 Å²	38.2	64%	0.644	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99	-1.5	178.7	50.5	0	0	0	0	114.9	T124 S128	T124-T126 PolarHBondContact O-N 3.07Å; T126-S128 PolarHBondContact O-N 3.32Å; T126-S128 PolarHBondContact O-OG 3.24Å
127	D	41.1	Very low	59.4	Low	34 Å²	34	37.3 Å²	37.3	18%	0.182	20%	0.203	C	C	.	.			trans	-75.1	61.4	157.8	-79.9	-3.1	0	0	0	108	T124 S129 E130 H140	T124-D127 PolarHBondContact O-N 2.96Å; D127-S129 PolarHBondContact O-N 3.37Å; D127-E130 HydrophobicContact CB-CB 4.4Å; D127-E130 HydrophobicContact CB-CG 3.62Å; D127-E130 VanDerWaalsContact CB-OE1 3.28Å; D127-E130 WeakPolarHBondContact CB-OE1 3.35Å; D127-E130 WeakPolarHBondContact O-CB 3.48Å; D127-E130 WeakPolarHBondContact O-CG 2.93Å; D127-E130 PolarHBondContact O-N 2.89Å; D127-H140 IonicContact OD1-CD2 2.93Å; D127-H140 PolarHBondContact OD1-CD2 3.42Å; D127-H140 IonicContact OD1-NE2 3.11Å; D127-H140 IonicContact OD2-CD2 3.25Å
128	S	40.5	Very low	58.1	Low	47 Å²	47	37.5 Å²	37.5	33%	0.329	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	2.5	157.8	23.8	0	0	0	0	112.3	T126 N929	T126-S128 PolarHBondContact O-N 3.32Å; T126-S128 PolarHBondContact O-OG 3.24Å; S128-N929 VanDerWaalsContact CB-ND2 3.32Å; S128-N929 WeakPolarHBondContact CB-ND2 3.44Å; S128-N929 PolarHBondContact O-ND2 3.12Å; S128-N929 PolarHBondContact O-OD1 2.89Å; S128-N929 VanDerWaalsContact O-OD1 3.07Å
129	S	41.2	Very low	57.2	Low	8 Å²	8	37.5 Å²	37.5	6%	0.056	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-9.8	167.2	134	0	0	0	0	114	D127 L131 F132 D133 L136 A137	D127-S129 PolarHBondContact O-N 3.37Å; S129-L131 PolarHBondContact O-N 3.28Å; S129-F132 PolarHBondContact O-N 3.39Å; S129-D133 PolarHBondContact O-N 2.92Å; S129-D133 WeakPolarHBondContact OG-CB 3.43Å; S129-D133 PolarHBondContact OG-O 3.47Å; S129-D133 VanDerWaalsContact OG-O 3.06Å; S129-L136 VanDerWaalsContact OG-CB 3.28Å; S129-L136 WeakPolarHBondContact OG-CB 3.36Å; S129-A137 PolarHBondContact OG-N 3.47Å
130	E	39	Very low	56.5	Low	48 Å²	48	39.7 Å²	39.7	22%	0.224	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-7.5	-165.4	-99.8	164.8	-158.8	0	0	117.1	H60 D127	H60-E130 IonicContact CE1-OE1 3.76Å; H60-E130 PolarHBondContact CE1-OE1 2.69Å; H60-E130 IonicContact CE1-OE2 2.76Å; H60-E130 PolarHBondContact CE1-OE2 2.95Å; H60-E130 IonicContact NE2-OE1 3.71Å; H60-E130 PolarHBondContact NE2-OE1 3.45Å; H60-E130 IonicContact NE2-OE2 3.47Å; H60-E130 PolarHBondContact NE2-OE2 3.26Å; D127-E130 HydrophobicContact CB-CB 4.4Å; D127-E130 HydrophobicContact CB-CG 3.62Å; D127-E130 VanDerWaalsContact CB-OE1 3.28Å; D127-E130 WeakPolarHBondContact CB-OE1 3.35Å; D127-E130 WeakPolarHBondContact O-CB 3.48Å; D127-E130 WeakPolarHBondContact O-CG 2.93Å; D127-E130 PolarHBondContact O-N 2.89Å
131	L	40	Very low	55.9	Low	46 Å²	46	43 Å²	43	24%	0.241	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.4	-7.5	173.5	-126	103	0	0	0	116.2	S129	S129-L131 PolarHBondContact O-N 3.28Å
132	F	41.6	Very low	55.4	Low	44 Å²	44	44 Å²	44	19%	0.193	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-139.2	-11.9	-174.5	-62.1	-59.5	0	0	0	114.7	S129 P265 Q932 E936	S129-F132 PolarHBondContact O-N 3.39Å; F132-P265 HydrophobicContact CB-CB 4.32Å; F132-P265 WeakPolarHBondContact O-CB 3.32Å; F132-Q932 HydrophobicContact CD1-CG 3.63Å; F132-Q932 HydrophobicContact CD2-CB 4.09Å; F132-Q932 HydrophobicContact CD2-CG 3.98Å; F132-Q932 HydrophobicContact CE1-CB 4.47Å; F132-Q932 HydrophobicContact CE1-CG 3.52Å; F132-Q932 HydrophobicContact CE2-CB 3.9Å; F132-Q932 HydrophobicContact CE2-CG 3.84Å; F132-Q932 HydrophobicContact CG-CB 4.4Å; F132-Q932 HydrophobicContact CG-CG 3.84Å; F132-Q932 HydrophobicContact CZ-CB 4.08Å; F132-Q932 HydrophobicContact CZ-CG 3.58Å; F132-E936 VanDerWaalsContact CZ-OE2 3.26Å; F132-E936 WeakPolarHBondContact CZ-OE2 3.27Å
133	D	49.9	Very low	55.3	Low	3 Å²	3	40.5 Å²	40.5	2%	0.016	22%	0.219	C	C	.	.			trans	-111.2	65.5	167.6	-150.5	-10.1	0	0	0	108.4	S129 D135 L136 A137 P265 R268	S129-D133 PolarHBondContact O-N 2.92Å; S129-D133 WeakPolarHBondContact OG-CB 3.43Å; S129-D133 PolarHBondContact OG-O 3.47Å; S129-D133 VanDerWaalsContact OG-O 3.06Å; D133-D135 PolarHBondContact O-N 3.34Å; D133-L136 HydrophobicContact CB-CB 4.01Å; D133-L136 WeakPolarHBondContact O-CA 3.44Å; D133-L136 PolarHBondContact O-N 3.44Å; D133-A137 PolarHBondContact O-N 3.31Å; D133-P265 HydrophobicContact CB-CB 3.69Å; D133-P265 HydrophobicContact CB-CG 4.05Å; D133-R268 WeakPolarHBondContact OD1-CD 3.34Å; D133-R268 IonicContact OD1-CZ 2.77Å; D133-R268 IonicContact OD1-NE 2.75Å; D133-R268 PolarHBondContact OD1-NE 3.34Å; D133-R268 IonicContact OD1-NH1 3.13Å; D133-R268 PolarHBondContact OD1-NH1 3.04Å; D133-R268 IonicContact OD1-NH2 2.84Å; D133-R268 IonicContact OD2-CZ 3.34Å; D133-R268 IonicContact OD2-NE 2.76Å; D133-R268 PolarHBondContact OD2-NE 3.37Å; D133-R268 IonicContact OD2-NH1 3.89Å; D133-R268 PolarHBondContact OD2-NH1 3.06Å; D133-R268 IonicContact OD2-NH2 3.49Å; D133-R268 PolarHBondContact OD2-NH2 3.14Å; D133-R268 VanDerWaalsContact OD2-NH2 3.16Å
134	D	49.6	Very low	55.3	Low	33 Å²	33	40.2 Å²	40.2	18%	0.176	22%	0.221	C	C	.	.	H	α-helix	trans	-48.7	-32.3	-177.8	-62.7	3.3	0	0	0	112.2	A138 R271 V453	D134-A138 WeakPolarHBondContact O-CA 3.35Å; D134-A138 WeakPolarHBondContact O-CB 3.1Å; D134-A138 PolarHBondContact O-N 3.4Å; D134-R271 HydrophobicContact CB-CG 4.03Å; D134-V453 HydrophobicContact CB-CG1 3.82Å; D134-V453 VanDerWaalsContact CG-CG1 3.41Å; D134-V453 WeakPolarHBondContact OD1-CG2 3.49Å; D134-V453 VanDerWaalsContact OD2-CG2 3.31Å; D134-V453 WeakPolarHBondContact OD2-CG2 3.43Å
135	D	51.9	Low	55.5	Low	24 Å²	24	36.4 Å²	36.4	13%	0.128	20%	0.199	C	C	.	.	H	α-helix	trans	-76.2	-35.6	178.8	-70.2	-22.2	0	0	0	111.7	D133 M139 R271	D133-D135 PolarHBondContact O-N 3.34Å; D135-M139 WeakPolarHBondContact O-CA 3.44Å; D135-M139 WeakPolarHBondContact O-CB 3.46Å; D135-M139 PolarHBondContact O-N 2.71Å; D135-R271 WeakPolarHBondContact OD1-CG 3.42Å
136	L	57.7	Low	57.1	Low	23 Å²	23	31 Å²	31	12%	0.12	17%	0.174	C	C	.	.	H	α-helix	trans	-74.9	-40.9	175.1	-173.4	63.4	0	0	0	110.2	S129 D133 M139 H140 R268	S129-L136 VanDerWaalsContact OG-CB 3.28Å; S129-L136 WeakPolarHBondContact OG-CB 3.36Å; D133-L136 HydrophobicContact CB-CB 4.01Å; D133-L136 WeakPolarHBondContact O-CA 3.44Å; D133-L136 PolarHBondContact O-N 3.44Å; L136-M139 HydrophobicContact CD1-CE 4.49Å; L136-M139 CarbonylContact O-C 3.54Å; L136-M139 PolarHBondContact O-N 2.82Å; L136-H140 VanDerWaalsContact CD1-NE2 3.32Å; L136-H140 WeakPolarHBondContact CD1-NE2 3.44Å; L136-H140 WeakPolarHBondContact CG-NE2 3.26Å; L136-H140 WeakPolarHBondContact O-CB 3.31Å; L136-H140 PolarHBondContact O-CD2 3.44Å; L136-H140 PolarHBondContact O-N 3.13Å; L136-R268 VanDerWaalsContact CB-NH1 3.29Å
137	A	53.4	Low	58.9	Low	17 Å²	17	29.5 Å²	29.5	14%	0.14	16%	0.161	C	C	.	.	H	α-helix	trans	-63.4	-45	172.9	0	0	0	0	0	111.1	S129 D133 M139 M141	S129-A137 PolarHBondContact OG-N 3.47Å; D133-A137 PolarHBondContact O-N 3.31Å; A137-M139 VanDerWaalsContact C-N 3.32Å; A137-M139 PolarHBondContact O-N 3.17Å; A137-M141 VanDerWaalsContact O-CB 3.23Å; A137-M141 WeakPolarHBondContact O-CB 3.41Å; A137-M141 VanDerWaalsContact O-CG 3.24Å; A137-M141 WeakPolarHBondContact O-CG 3.47Å; A137-M141 PolarHBondContact O-N 2.99Å
138	A	60	Low	60.7	Low	4 Å²	4	29.1 Å²	29.1	3%	0.033	16%	0.162	C	C	.	.	H	α-helix	trans	-66.5	-34.5	173.7	0	0	0	0	0	111.7	D134 N142 L186	D134-A138 WeakPolarHBondContact O-CA 3.35Å; D134-A138 WeakPolarHBondContact O-CB 3.1Å; D134-A138 PolarHBondContact O-N 3.4Å; A138-N142 VanDerWaalsContact O-CB 3.29Å; A138-N142 WeakPolarHBondContact O-CB 3.44Å; A138-N142 PolarHBondContact O-N 3.49Å; A138-N142 PolarHBondContact O-ND2 3Å; A138-L186 HydrophobicContact CB-CD1 3.6Å; A138-L186 HydrophobicContact CB-CD2 3.98Å; A138-L186 HydrophobicContact CB-CG 4.47Å
139	M	68.2	Low	62.7	Low	7 Å²	7	27.7 Å²	27.7	3%	0.034	15%	0.149	C	C	.	.	H	α-helix	trans	-68.4	-46.8	176.8	-171.4	-178.2	-30.1	0	0	110.8	D135 L136 A137 N142 K143 L183 L186 N187	D135-M139 WeakPolarHBondContact O-CA 3.44Å; D135-M139 WeakPolarHBondContact O-CB 3.46Å; D135-M139 PolarHBondContact O-N 2.71Å; L136-M139 HydrophobicContact CD1-CE 4.49Å; L136-M139 CarbonylContact O-C 3.54Å; L136-M139 PolarHBondContact O-N 2.82Å; A137-M139 VanDerWaalsContact C-N 3.32Å; A137-M139 PolarHBondContact O-N 3.17Å; M139-N142 PolarHBondContact O-N 3.29Å; M139-K143 WeakPolarHBondContact O-CB 3.17Å; M139-K143 PolarHBondContact O-N 3.49Å; M139-L183 HydrophobicContact CG-CD2 3.62Å; M139-L183 HydrophobicContact CG-CG 4.05Å; M139-L183 HydrophobicContact SD-CD2 4.38Å; M139-L186 HydrophobicContact CB-CD1 4.31Å; M139-N187 WeakPolarHBondContact CE-ND2 3.3Å
140	H	66.6	Low	65	Low	53 Å²	53	28.5 Å²	28.5	25%	0.245	15%	0.152	C	C	.	.	H	α-helix	trans	-64	-40.6	173	-72.6	-51.8	0	0	0	111.7	D127 L136 K143 A144	D127-H140 IonicContact OD1-CD2 2.93Å; D127-H140 PolarHBondContact OD1-CD2 3.42Å; D127-H140 IonicContact OD1-NE2 3.11Å; D127-H140 IonicContact OD2-CD2 3.25Å; L136-H140 VanDerWaalsContact CD1-NE2 3.32Å; L136-H140 WeakPolarHBondContact CD1-NE2 3.44Å; L136-H140 WeakPolarHBondContact CG-NE2 3.26Å; L136-H140 WeakPolarHBondContact O-CB 3.31Å; L136-H140 PolarHBondContact O-CD2 3.44Å; L136-H140 PolarHBondContact O-N 3.13Å; H140-K143 PolarHBondContact O-N 2.75Å; H140-A144 WeakPolarHBondContact O-CB 3Å; H140-A144 PolarHBondContact O-N 3.33Å
141	M	65.2	Low	67.3	Low	72 Å²	72	32 Å²	32	36%	0.355	17%	0.169	S	C	.	.	H	α-helix	trans	-58.2	-53.6	172.5	-83.3	-139.7	179.7	0	0	111.3	L63 R119 A137 K143 A144 A145	L63-M141 HydrophobicContact CD1-CE 4.49Å; R119-M141 VanDerWaalsContact CZ-SD 3.5Å; R119-M141 VanDerWaalsContact NH1-CG 3.29Å; R119-M141 PolarHBondContact NH1-SD 3.47Å; R119-M141 PolarHBondContact NH2-SD 3.28Å; A137-M141 VanDerWaalsContact O-CB 3.23Å; A137-M141 WeakPolarHBondContact O-CB 3.41Å; A137-M141 VanDerWaalsContact O-CG 3.24Å; A137-M141 WeakPolarHBondContact O-CG 3.47Å; A137-M141 PolarHBondContact O-N 2.99Å; M141-K143 VanDerWaalsContact C-N 3.28Å; M141-K143 PolarHBondContact O-N 2.97Å; M141-A144 PolarHBondContact O-N 3.37Å; M141-A145 VanDerWaalsContact O-CB 3.27Å; M141-A145 WeakPolarHBondContact O-CB 3.21Å; M141-A145 PolarHBondContact O-N 3.42Å
142	N	74.8	Confident	69.4	Low	29 Å²	29	32.5 Å²	32.5	16%	0.155	17%	0.169	C	C	.	.	H	α-helix	trans	-64.6	-34.9	179.6	-78	-69	0	0	0	111.1	A138 M139 F146 N182 L183	A138-N142 VanDerWaalsContact O-CB 3.29Å; A138-N142 WeakPolarHBondContact O-CB 3.44Å; A138-N142 PolarHBondContact O-N 3.49Å; A138-N142 PolarHBondContact O-ND2 3Å; M139-N142 PolarHBondContact O-N 3.29Å; N142-F146 WeakPolarHBondContact O-CB 3.26Å; N142-F146 PolarHBondContact O-N 2.99Å; N142-N182 WeakPolarHBondContact OD1-CB 3.32Å; N142-N182 PolarHBondContact OD1-ND2 3.2Å; N142-L183 HydrophobicContact CB-CB 4.23Å; N142-L183 HydrophobicContact CB-CD1 4.24Å; N142-L183 HydrophobicContact CB-CG 4.2Å
143	K	80.7	Confident	71.7	Confident	20 Å²	20	30.4 Å²	30.4	9%	0.087	16%	0.16	C	C	.	.	H	α-helix	trans	-68.5	-43.7	176.5	-173.1	59.5	173.2	69.6	0	111.8	M139 H140 M141 F146 D147 L183 C242	M139-K143 WeakPolarHBondContact O-CB 3.17Å; M139-K143 PolarHBondContact O-N 3.49Å; H140-K143 PolarHBondContact O-N 2.75Å; M141-K143 VanDerWaalsContact C-N 3.28Å; M141-K143 PolarHBondContact O-N 2.97Å; K143-F146 WeakPolarHBondContact O-CB 3.24Å; K143-F146 PolarHBondContact O-N 3.37Å; K143-D147 IonicContact NZ-OD1 2.64Å; K143-D147 PolarHBondContact NZ-OD1 2.99Å; K143-D147 IonicContact NZ-OD2 3.13Å; K143-D147 PolarHBondContact NZ-OD2 3.48Å; K143-D147 WeakPolarHBondContact O-CB 3.49Å; K143-D147 VanDerWaalsContact O-CG 3.27Å; K143-D147 PolarHBondContact O-N 3.33Å; K143-L183 HydrophobicContact CB-CD1 3.8Å; K143-L183 HydrophobicContact CD-CD1 3.93Å; K143-L183 HydrophobicContact CG-CD1 4.47Å; K143-C242 HydrophobicContact CD-CB 4.15Å
144	A	71.5	Confident	73.6	Confident	26 Å²	26	31.1 Å²	31.1	22%	0.215	17%	0.166	C	C	.	.	H	α-helix	trans	-69	-39.5	177.5	0	0	0	0	0	110.9	R119 H140 M141 F146 D147 S148	R119-A144 HydrophobicContact CG-CB 3.76Å; H140-A144 WeakPolarHBondContact O-CB 3Å; H140-A144 PolarHBondContact O-N 3.33Å; M141-A144 PolarHBondContact O-N 3.37Å; A144-F146 VanDerWaalsContact C-N 3.33Å; A144-F146 PolarHBondContact O-N 2.93Å; A144-D147 PolarHBondContact O-N 3.39Å; A144-S148 VanDerWaalsContact O-CB 3.23Å; A144-S148 WeakPolarHBondContact O-CB 3.41Å; A144-S148 PolarHBondContact O-N 3.26Å; A144-S148 PolarHBondContact O-OG 3.27Å
145	A	73	Confident	75.4	Confident	9 Å²	9	33.4 Å²	33.4	7%	0.074	18%	0.178	C	C	.	.	H	α-helix	trans	-59.8	-44.5	171.6	0	0	0	0	0	111.2	M141 S148	M141-A145 VanDerWaalsContact O-CB 3.27Å; M141-A145 WeakPolarHBondContact O-CB 3.21Å; M141-A145 PolarHBondContact O-N 3.42Å; A145-S148 PolarHBondContact O-OG 3.02Å
146	F	87.3	Confident	77.1	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-58.1	-53.7	172.7	174.7	-85.1	0	0	0	111.6	N142 K143 A144 S148 R149 L150 V176 A180 L238 C242	N142-F146 WeakPolarHBondContact O-CB 3.26Å; N142-F146 PolarHBondContact O-N 2.99Å; K143-F146 WeakPolarHBondContact O-CB 3.24Å; K143-F146 PolarHBondContact O-N 3.37Å; A144-F146 VanDerWaalsContact C-N 3.33Å; A144-F146 PolarHBondContact O-N 2.93Å; F146-S148 VanDerWaalsContact C-N 3.35Å; F146-S148 PolarHBondContact O-N 3.12Å; F146-R149 PolarHBondContact O-N 3.27Å; F146-L150 HydrophobicContact CE1-CD1 3.88Å; F146-L150 HydrophobicContact CE1-CD2 3.93Å; F146-L150 HydrophobicContact CE1-CG 4.35Å; F146-L150 HydrophobicContact CE2-CD1 4.49Å; F146-L150 HydrophobicContact CZ-CD1 3.73Å; F146-L150 WeakPolarHBondContact O-CB 3.45Å; F146-L150 PolarHBondContact O-N 3.29Å; F146-V176 HydrophobicContact CD2-CG1 3.6Å; F146-V176 HydrophobicContact CE2-CG1 3.4Å; F146-V176 HydrophobicContact CZ-CG1 4.21Å; F146-A180 HydrophobicContact CD2-CB 4.03Å; F146-A180 HydrophobicContact CE2-CB 4.1Å; F146-L238 HydrophobicContact CE2-CD2 3.78Å; F146-L238 HydrophobicContact CE2-CG 3.95Å; F146-L238 HydrophobicContact CZ-CD2 4.37Å; F146-L238 HydrophobicContact CZ-CG 4.2Å; F146-C242 HydrophobicContact CE1-CB 4.38Å; F146-C242 HydrophobicContact CZ-CB 4.44Å
147	D	83.4	Confident	78.5	Confident	72 Å²	72	31.3 Å²	31.3	39%	0.385	17%	0.167	S	C	.	.	H	α-helix	trans	-64.8	-37.7	-176.7	-73.4	-22.1	0	0	0	112.5	K143 A144 R149 L150	K143-D147 IonicContact NZ-OD1 2.64Å; K143-D147 PolarHBondContact NZ-OD1 2.99Å; K143-D147 IonicContact NZ-OD2 3.13Å; K143-D147 PolarHBondContact NZ-OD2 3.48Å; K143-D147 WeakPolarHBondContact O-CB 3.49Å; K143-D147 VanDerWaalsContact O-CG 3.27Å; K143-D147 PolarHBondContact O-N 3.33Å; A144-D147 PolarHBondContact O-N 3.39Å; D147-R149 PolarHBondContact O-N 3.4Å; D147-L150 PolarHBondContact O-N 3.09Å
148	S	79.1	Confident	80	Confident	27 Å²	27	34.4 Å²	34.4	19%	0.189	19%	0.187	C	C	.	.	H	α-helix	trans	-60.9	-28.8	-179.1	74.8	0	0	0	0	112.8	A144 A145 F146	A144-S148 VanDerWaalsContact O-CB 3.23Å; A144-S148 WeakPolarHBondContact O-CB 3.41Å; A144-S148 PolarHBondContact O-N 3.26Å; A144-S148 PolarHBondContact O-OG 3.27Å; A145-S148 PolarHBondContact O-OG 3.02Å; F146-S148 VanDerWaalsContact C-N 3.35Å; F146-S148 PolarHBondContact O-N 3.12Å
149	R	83.7	Confident	80.8	Confident	17 Å²	17	35.4 Å²	35.4	6%	0.064	19%	0.192	C	C	.	.	H	α-helix	trans	-104.1	-19	-177.2	-67	170.4	-175.4	172.4	-5.5	113	S112 F146 D147 Q151 F152 V153 Q175 V176	S112-R149 PolarHBondContact OG-NH2 3.43Å; F146-R149 PolarHBondContact O-N 3.27Å; D147-R149 PolarHBondContact O-N 3.4Å; R149-Q151 VanDerWaalsContact C-N 3.35Å; R149-Q151 PolarHBondContact O-N 3.37Å; R149-F152 WeakPolarHBondContact O-CB 3.49Å; R149-F152 PolarHBondContact O-N 3.36Å; R149-F152 VanDerWaalsContact O-N 3.14Å; R149-V153 PolarHBondContact O-N 3.47Å; R149-V153 VanDerWaalsContact O-N 3.11Å; R149-Q175 VanDerWaalsContact NE-OE1 3.1Å; R149-Q175 VanDerWaalsContact NH1-CB 3.27Å; R149-Q175 VanDerWaalsContact NH1-CD 3.3Å; R149-Q175 VanDerWaalsContact NH1-CG 3.33Å; R149-V176 HydrophobicContact CB-CG2 3.56Å
150	L	88.8	Confident	81	Confident	24 Å²	24	37.6 Å²	37.6	13%	0.126	21%	0.208	C	C	.	.	H	α-helix	trans	-55.4	-47.1	-174.9	-172.3	69.6	0	0	0	112.6	F146 D147 F152 V153 S154 V176 L235 S239	F146-L150 HydrophobicContact CE1-CD1 3.88Å; F146-L150 HydrophobicContact CE1-CD2 3.93Å; F146-L150 HydrophobicContact CE1-CG 4.35Å; F146-L150 HydrophobicContact CE2-CD1 4.49Å; F146-L150 HydrophobicContact CZ-CD1 3.73Å; F146-L150 WeakPolarHBondContact O-CB 3.45Å; F146-L150 PolarHBondContact O-N 3.29Å; D147-L150 PolarHBondContact O-N 3.09Å; L150-F152 VanDerWaalsContact C-N 3.32Å; L150-F152 PolarHBondContact O-N 3.25Å; L150-V153 PolarHBondContact O-N 3.37Å; L150-S154 PolarHBondContact O-N 3.47Å; L150-V176 HydrophobicContact CD1-CG1 4.45Å; L150-L235 HydrophobicContact CD1-CD1 4.15Å; L150-L235 HydrophobicContact CD1-CD2 3.91Å; L150-L235 HydrophobicContact CD1-CG 3.8Å; L150-S239 WeakPolarHBondContact CD2-OG 3.46Å
151	Q	87.1	Confident	81.1	Confident	122 Å²	122	40.8 Å²	40.8	57%	0.57	23%	0.227	S	C	*	.	H	α-helix	trans	-62.7	-41.7	-179.1	-172.3	61.8	46.9	0	0	111.6	R149 V153 S154 D155	R149-Q151 VanDerWaalsContact C-N 3.35Å; R149-Q151 PolarHBondContact O-N 3.37Å; Q151-V153 VanDerWaalsContact C-N 3.31Å; Q151-V153 PolarHBondContact O-N 2.93Å; Q151-S154 PolarHBondContact O-N 3.3Å; Q151-D155 PolarHBondContact NE2-OD1 3.35Å; Q151-D155 PolarHBondContact O-N 2.73Å
152	F	84.9	Confident	81.1	Confident	56 Å²	56	39.1 Å²	39.1	25%	0.246	22%	0.222	C	C	.	.	H	α-helix	trans	-62	-40.8	178.8	-176.5	-90.6	0	0	0	111.6	R149 L150 D155 W156 V164 A168 A172	R149-F152 WeakPolarHBondContact O-CB 3.49Å; R149-F152 PolarHBondContact O-N 3.36Å; R149-F152 VanDerWaalsContact O-N 3.14Å; L150-F152 VanDerWaalsContact C-N 3.32Å; L150-F152 PolarHBondContact O-N 3.25Å; F152-D155 PolarHBondContact O-N 3.03Å; F152-W156 WeakPolarHBondContact O-CB 3.46Å; F152-W156 PolarHBondContact O-N 3.32Å; F152-V164 HydrophobicContact CE1-CG1 4.23Å; F152-V164 HydrophobicContact CE2-CG1 4.06Å; F152-V164 HydrophobicContact CZ-CG1 3.63Å; F152-A168 HydrophobicContact CE1-CB 4.39Å; F152-A168 HydrophobicContact CZ-CB 4.17Å; F152-A172 HydrophobicContact CD1-CB 3.52Å; F152-A172 HydrophobicContact CE1-CB 3.84Å
153	V	89.3	Confident	80.2	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-67	-42.4	175.8	176.8	0	0	0	0	111.2	R149 L150 Q151 D155 W156 I157 A172 L173 V176 L235	R149-V153 PolarHBondContact O-N 3.47Å; R149-V153 VanDerWaalsContact O-N 3.11Å; L150-V153 PolarHBondContact O-N 3.37Å; Q151-V153 VanDerWaalsContact C-N 3.31Å; Q151-V153 PolarHBondContact O-N 2.93Å; V153-D155 VanDerWaalsContact C-N 3.34Å; V153-D155 PolarHBondContact O-N 3.06Å; V153-W156 PolarHBondContact O-N 3.02Å; V153-I157 HydrophobicContact CG1-CD1 3.8Å; V153-I157 HydrophobicContact CG1-CG1 4.39Å; V153-I157 VanDerWaalsContact O-CG1 3.27Å; V153-I157 WeakPolarHBondContact O-CG1 3.47Å; V153-I157 PolarHBondContact O-N 3.48Å; V153-A172 VanDerWaalsContact CG2-C 3.5Å; V153-A172 HydrophobicContact CG2-CB 3.74Å; V153-L173 HydrophobicContact CG1-CB 4.15Å; V153-L173 HydrophobicContact CG1-CD1 3.72Å; V153-L173 HydrophobicContact CG2-CB 4.36Å; V153-V176 HydrophobicContact CG2-CG2 3.89Å; V153-L235 HydrophobicContact CB-CD2 4.31Å; V153-L235 HydrophobicContact CG1-CD1 4.33Å; V153-L235 HydrophobicContact CG1-CD2 3.79Å
154	S	90.2	Very high	79.1	Confident	19 Å²	19	42 Å²	42	13%	0.133	25%	0.246	C	C	.	.	H	α-helix	trans	-59.8	-43.4	174.7	-79.3	0	0	0	0	112.5	L150 Q151 W156 I157 S158	L150-S154 PolarHBondContact O-N 3.47Å; Q151-S154 PolarHBondContact O-N 3.3Å; S154-W156 VanDerWaalsContact C-N 3.35Å; S154-I157 PolarHBondContact O-N 3.28Å; S154-S158 WeakPolarHBondContact O-CB 3.16Å; S154-S158 PolarHBondContact O-N 3.21Å; S154-S158 VanDerWaalsContact O-N 3.07Å; S154-S158 PolarHBondContact O-OG 2.89Å
155	D	86.3	Confident	78.7	Confident	80 Å²	80	41.1 Å²	41.1	43%	0.428	24%	0.238	S	C	.	.	H	α-helix	trans	-64.3	-42.2	177.3	-64.2	-15.7	0	0	0	110.4	Q151 F152 V153 S158 D159	Q151-D155 PolarHBondContact NE2-OD1 3.35Å; Q151-D155 PolarHBondContact O-N 2.73Å; F152-D155 PolarHBondContact O-N 3.03Å; V153-D155 VanDerWaalsContact C-N 3.34Å; V153-D155 PolarHBondContact O-N 3.06Å; D155-S158 PolarHBondContact O-N 3.16Å; D155-D159 WeakPolarHBondContact O-CB 3.37Å; D155-D159 PolarHBondContact O-N 3.07Å
156	W	87.4	Confident	78.6	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.6	-36.6	177.2	176.6	77.4	0	0	0	114.1	F152 V153 S154 S158 V164 I211 R214	F152-W156 WeakPolarHBondContact O-CB 3.46Å; F152-W156 PolarHBondContact O-N 3.32Å; V153-W156 PolarHBondContact O-N 3.02Å; S154-W156 VanDerWaalsContact C-N 3.35Å; W156-S158 VanDerWaalsContact C-N 3.35Å; W156-V164 HydrophobicContact CB-CG1 4.26Å; W156-I211 HydrophobicContact CH2-CD1 4.2Å; W156-I211 HydrophobicContact CH2-CG1 3.86Å; W156-I211 HydrophobicContact CZ2-CG1 4.11Å; W156-R214 VanDerWaalsContact CZ2-NH1 3.25Å; W156-R214 PolarHBondContact O-NH1 3.23Å; W156-R214 VanDerWaalsContact O-NH1 3.14Å; W156-R214 PolarHBondContact O-NH2 3.36Å
157	I	87.8	Confident	77.7	Confident	4 Å²	4	43.4 Å²	43.4	2%	0.021	25%	0.249	C	C	.	.	H	α-helix	trans	-67.5	-40.3	174.9	-68.5	161.7	0	0	0	110.1	V153 S154 D159 R214 A228 L231 L235	V153-I157 HydrophobicContact CG1-CD1 3.8Å; V153-I157 HydrophobicContact CG1-CG1 4.39Å; V153-I157 VanDerWaalsContact O-CG1 3.27Å; V153-I157 WeakPolarHBondContact O-CG1 3.47Å; V153-I157 PolarHBondContact O-N 3.48Å; S154-I157 PolarHBondContact O-N 3.28Å; I157-D159 VanDerWaalsContact C-N 3.32Å; I157-D159 PolarHBondContact O-N 3.33Å; I157-R214 PolarHBondContact O-NH2 2.98Å; I157-A228 HydrophobicContact CG2-CB 3.99Å; I157-A228 WeakPolarHBondContact CG2-O 3.47Å; I157-L231 HydrophobicContact CD1-CB 4.09Å; I157-L231 HydrophobicContact CD1-CD2 4.3Å; I157-L231 HydrophobicContact CG1-CB 4.39Å; I157-L231 HydrophobicContact CG2-CB 4.02Å; I157-L235 HydrophobicContact CD1-CD2 3.87Å
158	S	85	Confident	77.1	Confident	82 Å²	82	41.4 Å²	41.4	57%	0.573	24%	0.243	S	C	*	.	H	α-helix	trans	-74.2	-23.7	-176.6	-53.4	0	0	0	0	113.1	S154 D155 W156 S160	S154-S158 WeakPolarHBondContact O-CB 3.16Å; S154-S158 PolarHBondContact O-N 3.21Å; S154-S158 VanDerWaalsContact O-N 3.07Å; S154-S158 PolarHBondContact O-OG 2.89Å; D155-S158 PolarHBondContact O-N 3.16Å; W156-S158 VanDerWaalsContact C-N 3.35Å; S158-S160 PolarHBondContact O-N 3.42Å
159	D	77.2	Confident	77.1	Confident	25 Å²	25	40.1 Å²	40.1	13%	0.134	23%	0.234	C	C	.	.			trans	-74.9	103.2	179.3	-171.2	-0.7	0	0	0	111.7	D155 I157 N161 C162 S163 V164 R214	D155-D159 WeakPolarHBondContact O-CB 3.37Å; D155-D159 PolarHBondContact O-N 3.07Å; I157-D159 VanDerWaalsContact C-N 3.32Å; I157-D159 PolarHBondContact O-N 3.33Å; D159-N161 PolarHBondContact OD1-N 3.45Å; D159-C162 PolarHBondContact OD1-N 2.9Å; D159-S163 VanDerWaalsContact OD2-CA 3.27Å; D159-S163 WeakPolarHBondContact OD2-CA 3.42Å; D159-S163 VanDerWaalsContact OD2-CB 3.28Å; D159-S163 WeakPolarHBondContact OD2-CB 3.47Å; D159-S163 PolarHBondContact OD2-N 3.44Å; D159-S163 PolarHBondContact OD2-OG 3.07Å; D159-V164 PolarHBondContact OD2-N 3.07Å; D159-R214 PolarHBondContact O-NH2 3.27Å
160	S	72	Confident	77	Confident	52 Å²	52	40.9 Å²	40.9	36%	0.364	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-37.4	176.4	-9.2	0	0	0	0	111	S158 C162 N220	S158-S160 PolarHBondContact O-N 3.42Å; S160-C162 VanDerWaalsContact C-N 3.3Å; S160-C162 PolarHBondContact O-N 3.5Å; S160-N220 VanDerWaalsContact C-OD1 3.28Å; S160-N220 PolarHBondContact O-OD1 3.31Å
161	N	67.7	Low	76.5	Confident	120 Å²	120	42 Å²	42	64%	0.642	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	2.4	-171.7	-71.6	-26.1	0	0	0	113.8	D159 S163 N220	D159-N161 PolarHBondContact OD1-N 3.45Å; N161-S163 PolarHBondContact O-N 3.34Å; N161-N220 PolarHBondContact OD1-ND2 2.77Å
162	C	65.3	Low	76.3	Confident	37 Å²	37	36.6 Å²	36.6	25%	0.25	22%	0.218	C	C	.	.			trans	52.7	37.6	-176.2	-89.2	0	0	0	0	113.3	D159 S160 V164 R214	D159-C162 PolarHBondContact OD1-N 2.9Å; S160-C162 VanDerWaalsContact C-N 3.3Å; S160-C162 PolarHBondContact O-N 3.5Å; C162-V164 PolarHBondContact O-N 3.24Å; C162-R214 VanDerWaalsContact SG-CD 3.55Å
163	S	56.6	Low	76.5	Confident	82 Å²	82	34 Å²	34	57%	0.573	21%	0.207	S	C	*	.			trans	-64.9	-29.4	171.4	76	0	0	0	0	112.3	D159 N161	D159-S163 VanDerWaalsContact OD2-CA 3.27Å; D159-S163 WeakPolarHBondContact OD2-CA 3.42Å; D159-S163 VanDerWaalsContact OD2-CB 3.28Å; D159-S163 WeakPolarHBondContact OD2-CB 3.47Å; D159-S163 PolarHBondContact OD2-N 3.44Å; D159-S163 PolarHBondContact OD2-OG 3.07Å; N161-S163 PolarHBondContact O-N 3.34Å
164	V	57.7	Low	76.4	Confident	29 Å²	29	36.3 Å²	36.3	18%	0.176	22%	0.219	C	C	.	.	S	Bend	trans	-82.4	126.8	167.2	-176.4	0	0	0	0	109.3	F152 W156 D159 C162 M166	F152-V164 HydrophobicContact CE1-CG1 4.23Å; F152-V164 HydrophobicContact CE2-CG1 4.06Å; F152-V164 HydrophobicContact CZ-CG1 3.63Å; W156-V164 HydrophobicContact CB-CG1 4.26Å; D159-V164 PolarHBondContact OD2-N 3.07Å; C162-V164 PolarHBondContact O-N 3.24Å; V164-M166 PolarHBondContact O-N 2.93Å
165	A	62.8	Low	76.1	Confident	6 Å²	6	37.2 Å²	37.2	5%	0.05	22%	0.222	C	C	.	.			trans	-45	124.6	-178.2	0	0	0	0	0	113.2	E22 T167 A168 G169	E22-A165 HydrophobicContact CB-CB 3.97Å; E22-A165 WeakPolarHBondContact OE2-CA 3.22Å; E22-A165 WeakPolarHBondContact OE2-CB 3.45Å; A165-T167 PolarHBondContact O-N 3.01Å; A165-A168 HydrophobicContact CB-CB 3.67Å; A165-A168 PolarHBondContact O-N 3.36Å; A165-G169 PolarHBondContact O-N 3.47Å
166	M	70.9	Confident	76.3	Confident	31 Å²	31	33.4 Å²	33.4	15%	0.153	20%	0.201	C	C	.	.	H	α-helix	trans	-65.6	-40.7	-169.2	-168.4	-178	58.8	0	0	111.4	E22 V164 E170 R214 R215	E22-M166 PolarHBondContact OE2-N 3.08Å; V164-M166 PolarHBondContact O-N 2.93Å; M166-E170 PolarHBondContact O-N 2.96Å; M166-E170 VanDerWaalsContact O-N 3.16Å; M166-R214 HydrophobicContact SD-CB 4Å; M166-R215 HydrophobicContact CE-CG 3.51Å; M166-R215 HydrophobicContact SD-CG 3.83Å
167	T	69.2	Low	76.6	Confident	26 Å²	26	33.6 Å²	33.6	16%	0.16	20%	0.202	C	C	.	.	H	α-helix	trans	-72.1	-33.1	177.1	53.9	0	0	0	0	112.3	A165 K171	A165-T167 PolarHBondContact O-N 3.01Å; T167-K171 WeakPolarHBondContact O-CB 3.4Å; T167-K171 WeakPolarHBondContact O-CG 3.27Å; T167-K171 PolarHBondContact O-N 3.15Å
168	A	69.6	Low	76.5	Confident	31 Å²	31	37.8 Å²	37.8	26%	0.256	22%	0.224	S	C	.	.	H	α-helix	trans	-66.8	-43	177	0	0	0	0	0	111.2	F152 A165 A172	F152-A168 HydrophobicContact CE1-CB 4.39Å; F152-A168 HydrophobicContact CZ-CB 4.17Å; A165-A168 HydrophobicContact CB-CB 3.67Å; A165-A168 PolarHBondContact O-N 3.36Å; A168-A172 VanDerWaalsContact O-CB 3.29Å; A168-A172 WeakPolarHBondContact O-CB 3.05Å; A168-A172 PolarHBondContact O-N 3.44Å
169	G	79.7	Confident	76.4	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-65.4	-44	175.9	0	0	0	0	0	113.5	A165 K171 A172 L173	A165-G169 PolarHBondContact O-N 3.47Å; G169-K171 PolarHBondContact O-N 2.93Å; G169-A172 PolarHBondContact O-N 3.28Å; G169-L173 PolarHBondContact O-N 3.43Å
170	E	81.9	Confident	77	Confident	33 Å²	33	33 Å²	33	15%	0.154	19%	0.193	C	C	.	.	H	α-helix	trans	-57.1	-47.8	175.1	177	175	-173.8	0	0	111.5	M166 L173 N174 Q208 I211 R215	M166-E170 PolarHBondContact O-N 2.96Å; M166-E170 VanDerWaalsContact O-N 3.16Å; E170-L173 PolarHBondContact O-N 3.36Å; E170-N174 PolarHBondContact O-N 2.86Å; E170-Q208 PolarHBondContact OE1-NE2 3.44Å; E170-I211 HydrophobicContact CB-CD1 3.83Å; E170-I211 HydrophobicContact CG-CD1 3.55Å; E170-R215 IonicContact OE2-NH2 2.63Å; E170-R215 PolarHBondContact OE2-NH2 3.23Å; E170-R215 VanDerWaalsContact OE2-NH2 3.13Å
171	K	77.4	Confident	77.7	Confident	47 Å²	47	33.3 Å²	33.3	20%	0.204	19%	0.188	C	C	.	.	H	α-helix	trans	-67.6	-40.8	178.7	-73	-171	179	-167.9	0	112.8	D104 S108 T167 G169 L173 N174 Q175	D104-K171 PolarHBondContact O-NZ 3.25Å; S108-K171 WeakPolarHBondContact OG-CD 3.43Å; T167-K171 WeakPolarHBondContact O-CB 3.4Å; T167-K171 WeakPolarHBondContact O-CG 3.27Å; T167-K171 PolarHBondContact O-N 3.15Å; G169-K171 PolarHBondContact O-N 2.93Å; K171-L173 VanDerWaalsContact C-N 3.26Å; K171-L173 PolarHBondContact O-N 3.03Å; K171-N174 PolarHBondContact O-N 3.43Å; K171-Q175 WeakPolarHBondContact O-CB 3.47Å; K171-Q175 VanDerWaalsContact O-CG 3.28Å; K171-Q175 WeakPolarHBondContact O-CG 3.23Å; K171-Q175 PolarHBondContact O-N 3.29Å
172	A	82.7	Confident	78.3	Confident	8 Å²	8	31.2 Å²	31.2	7%	0.066	18%	0.177	C	C	.	.	H	α-helix	trans	-60.6	-38.6	175.4	0	0	0	0	0	111.4	F152 V153 A168 G169 Q175 V176	F152-A172 HydrophobicContact CD1-CB 3.52Å; F152-A172 HydrophobicContact CE1-CB 3.84Å; V153-A172 VanDerWaalsContact CG2-C 3.5Å; V153-A172 HydrophobicContact CG2-CB 3.74Å; A168-A172 VanDerWaalsContact O-CB 3.29Å; A168-A172 WeakPolarHBondContact O-CB 3.05Å; A168-A172 PolarHBondContact O-N 3.44Å; G169-A172 PolarHBondContact O-N 3.28Å; A172-Q175 WeakPolarHBondContact O-CB 3.15Å; A172-Q175 PolarHBondContact O-N 3.26Å; A172-V176 WeakPolarHBondContact O-CG2 3.38Å; A172-V176 PolarHBondContact O-N 3Å
173	L	90.4	Very high	78.9	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-63.8	-51.7	173.6	177.6	69.3	0	0	0	111.3	V153 G169 E170 K171 Q175 V176 L177 A207 L235	V153-L173 HydrophobicContact CG1-CB 4.15Å; V153-L173 HydrophobicContact CG1-CD1 3.72Å; V153-L173 HydrophobicContact CG2-CB 4.36Å; G169-L173 PolarHBondContact O-N 3.43Å; E170-L173 PolarHBondContact O-N 3.36Å; K171-L173 VanDerWaalsContact C-N 3.26Å; K171-L173 PolarHBondContact O-N 3.03Å; L173-Q175 PolarHBondContact O-N 3.01Å; L173-V176 WeakPolarHBondContact O-CA 3.43Å; L173-V176 WeakPolarHBondContact O-CB 3.19Å; L173-V176 PolarHBondContact O-N 3.43Å; L173-L177 HydrophobicContact CD1-CD1 4.37Å; L173-L177 HydrophobicContact CD1-CD2 4.33Å; L173-L177 HydrophobicContact CD1-CG 4.14Å; L173-L177 HydrophobicContact CG-CD1 4.09Å; L173-L177 HydrophobicContact CG-CG 4.21Å; L173-L177 WeakPolarHBondContact O-CG 3.26Å; L173-L177 PolarHBondContact O-N 2.92Å; L173-A207 HydrophobicContact CD2-CB 3.11Å; L173-L235 HydrophobicContact CD1-CD1 4.17Å
174	N	87.5	Confident	80.1	Confident	50 Å²	50	25.5 Å²	25.5	27%	0.267	14%	0.137	S	C	.	.	H	α-helix	trans	-56.5	-37.7	178.9	-73.3	-23.7	0	0	0	111.8	E170 K171 L177 N178	E170-N174 PolarHBondContact O-N 2.86Å; K171-N174 PolarHBondContact O-N 3.43Å; N174-L177 PolarHBondContact O-N 3.46Å; N174-N178 WeakPolarHBondContact O-CB 3.26Å; N174-N178 PolarHBondContact O-N 3.07Å; N174-N178 PolarHBondContact O-ND2 3.12Å
175	Q	83.4	Confident	80.8	Confident	38 Å²	38	27.8 Å²	27.8	18%	0.178	15%	0.149	C	C	.	.	H	α-helix	trans	-64.4	-43	173.3	-81.1	175.3	4.8	0	0	113.3	R149 K171 A172 L173 S179	R149-Q175 VanDerWaalsContact NE-OE1 3.1Å; R149-Q175 VanDerWaalsContact NH1-CB 3.27Å; R149-Q175 VanDerWaalsContact NH1-CD 3.3Å; R149-Q175 VanDerWaalsContact NH1-CG 3.33Å; K171-Q175 WeakPolarHBondContact O-CB 3.47Å; K171-Q175 VanDerWaalsContact O-CG 3.28Å; K171-Q175 WeakPolarHBondContact O-CG 3.23Å; K171-Q175 PolarHBondContact O-N 3.29Å; A172-Q175 WeakPolarHBondContact O-CB 3.15Å; A172-Q175 PolarHBondContact O-N 3.26Å; L173-Q175 PolarHBondContact O-N 3.01Å; Q175-S179 WeakPolarHBondContact O-CB 3.48Å; Q175-S179 PolarHBondContact O-N 3.48Å; Q175-S179 PolarHBondContact O-OG 3Å
176	V	90.4	Very high	81	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.7	-45.5	173.9	166	0	0	0	0	110.4	F146 R149 L150 V153 A172 L173 S179 A180 L235	F146-V176 HydrophobicContact CD2-CG1 3.6Å; F146-V176 HydrophobicContact CE2-CG1 3.4Å; F146-V176 HydrophobicContact CZ-CG1 4.21Å; R149-V176 HydrophobicContact CB-CG2 3.56Å; L150-V176 HydrophobicContact CD1-CG1 4.45Å; V153-V176 HydrophobicContact CG2-CG2 3.89Å; A172-V176 WeakPolarHBondContact O-CG2 3.38Å; A172-V176 PolarHBondContact O-N 3Å; L173-V176 WeakPolarHBondContact O-CA 3.43Å; L173-V176 WeakPolarHBondContact O-CB 3.19Å; L173-V176 PolarHBondContact O-N 3.43Å; V176-S179 PolarHBondContact O-N 3.06Å; V176-A180 WeakPolarHBondContact O-CB 3.26Å; V176-A180 PolarHBondContact O-N 3.02Å; V176-L235 HydrophobicContact CG1-CD1 4.22Å
177	L	92.4	Very high	80.7	Confident	4 Å²	4	29.7 Å²	29.7	2%	0.021	16%	0.158	C	C	.	.	H	α-helix	trans	-64.5	-43.3	178.5	-62.6	-177.2	0	0	0	111.9	L173 N174 A180 K181 C200 L203 N204 L238	L173-L177 HydrophobicContact CD1-CD1 4.37Å; L173-L177 HydrophobicContact CD1-CD2 4.33Å; L173-L177 HydrophobicContact CD1-CG 4.14Å; L173-L177 HydrophobicContact CG-CD1 4.09Å; L173-L177 HydrophobicContact CG-CG 4.21Å; L173-L177 WeakPolarHBondContact O-CG 3.26Å; L173-L177 PolarHBondContact O-N 2.92Å; N174-L177 PolarHBondContact O-N 3.46Å; L177-A180 PolarHBondContact O-N 2.94Å; L177-K181 WeakPolarHBondContact O-CB 3.38Å; L177-K181 WeakPolarHBondContact O-CG 3.36Å; L177-K181 PolarHBondContact O-N 3.33Å; L177-C200 HydrophobicContact CB-CB 4.4Å; L177-C200 HydrophobicContact CD2-CB 4.05Å; L177-L203 HydrophobicContact CD1-CB 4.35Å; L177-L203 HydrophobicContact CD2-CB 3.85Å; L177-L203 HydrophobicContact CD2-CD1 3.83Å; L177-L203 HydrophobicContact CD2-CG 4.5Å; L177-N204 HydrophobicContact CD1-CB 3.93Å; L177-L238 HydrophobicContact CD2-CD2 3.85Å
178	N	86	Confident	80.5	Confident	91 Å²	91	35.3 Å²	35.3	49%	0.487	18%	0.183	S	C	.	.	H	α-helix	trans	-63.5	-42.1	175.5	-74.1	-13.2	0	0	0	111.7	N174 A180 K181 N182	N174-N178 WeakPolarHBondContact O-CB 3.26Å; N174-N178 PolarHBondContact O-N 3.07Å; N174-N178 PolarHBondContact O-ND2 3.12Å; N178-A180 VanDerWaalsContact C-N 3.32Å; N178-A180 PolarHBondContact O-N 2.76Å; N178-K181 PolarHBondContact O-N 3.17Å; N178-N182 WeakPolarHBondContact O-CB 3.45Å; N178-N182 PolarHBondContact O-N 3Å; N178-N182 PolarHBondContact O-ND2 3.31Å; N178-N182 PolarHBondContact O-OD1 3.35Å
179	S	84	Confident	79.7	Confident	8 Å²	8	40.8 Å²	40.8	6%	0.056	21%	0.213	C	C	.	.	H	α-helix	trans	-61.4	-42.6	176.2	-53.7	0	0	0	0	110.8	Q175 V176 N182 L183	Q175-S179 WeakPolarHBondContact O-CB 3.48Å; Q175-S179 PolarHBondContact O-N 3.48Å; Q175-S179 PolarHBondContact O-OG 3Å; V176-S179 PolarHBondContact O-N 3.06Å; S179-N182 PolarHBondContact O-N 3.29Å; S179-L183 WeakPolarHBondContact O-CB 3.38Å; S179-L183 PolarHBondContact O-N 2.96Å
180	A	90	Very high	78.9	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-65.9	-41.9	176.1	0	0	0	0	0	112.9	F146 V176 L177 N178 L183 A184 I196 L238	F146-A180 HydrophobicContact CD2-CB 4.03Å; F146-A180 HydrophobicContact CE2-CB 4.1Å; V176-A180 WeakPolarHBondContact O-CB 3.26Å; V176-A180 PolarHBondContact O-N 3.02Å; L177-A180 PolarHBondContact O-N 2.94Å; N178-A180 VanDerWaalsContact C-N 3.32Å; N178-A180 PolarHBondContact O-N 2.76Å; A180-L183 WeakPolarHBondContact O-CB 3.48Å; A180-L183 PolarHBondContact O-N 3.09Å; A180-A184 PolarHBondContact O-N 3.03Å; A180-I196 HydrophobicContact CB-CG2 4.06Å; A180-I196 WeakPolarHBondContact O-CG2 3.41Å; A180-L238 HydrophobicContact CB-CD1 4.03Å; A180-L238 HydrophobicContact CB-CD2 4.05Å; A180-L238 HydrophobicContact CB-CG 4.28Å
181	K	87	Confident	78.3	Confident	57 Å²	57	44.4 Å²	44.4	25%	0.248	24%	0.242	C	C	.	.	H	α-helix	trans	-62	-42.7	174.1	-74.9	-179.8	178.6	-172.2	0	111.6	L177 N178 L183 A184 N185 C200 D201	L177-K181 WeakPolarHBondContact O-CB 3.38Å; L177-K181 WeakPolarHBondContact O-CG 3.36Å; L177-K181 PolarHBondContact O-N 3.33Å; N178-K181 PolarHBondContact O-N 3.17Å; K181-L183 VanDerWaalsContact C-N 3.33Å; K181-L183 PolarHBondContact O-N 3.43Å; K181-A184 WeakPolarHBondContact O-CB 3.37Å; K181-A184 PolarHBondContact O-N 3.01Å; K181-N185 WeakPolarHBondContact O-CB 3.43Å; K181-N185 PolarHBondContact O-N 3.31Å; K181-N185 PolarHBondContact O-ND2 3.34Å; K181-C200 HydrophobicContact CD-CB 4.35Å; K181-C200 VanDerWaalsContact CE-CB 3.46Å; K181-C200 HydrophobicContact CG-CB 4.03Å; K181-D201 WeakPolarHBondContact CE-OD1 3.48Å; K181-D201 IonicContact NZ-OD1 2.66Å; K181-D201 PolarHBondContact NZ-OD1 3.3Å
182	N	78.9	Confident	78.2	Confident	76 Å²	76	44.1 Å²	44.1	41%	0.406	24%	0.243	S	C	.	.	H	α-helix	trans	-61.1	-43.9	174.5	-70.2	-13.4	0	0	0	111.3	N142 N178 S179 A184 N185 L186	N142-N182 WeakPolarHBondContact OD1-CB 3.32Å; N142-N182 PolarHBondContact OD1-ND2 3.2Å; N178-N182 WeakPolarHBondContact O-CB 3.45Å; N178-N182 PolarHBondContact O-N 3Å; N178-N182 PolarHBondContact O-ND2 3.31Å; N178-N182 PolarHBondContact O-OD1 3.35Å; S179-N182 PolarHBondContact O-N 3.29Å; N182-A184 VanDerWaalsContact C-N 3.3Å; N182-A184 PolarHBondContact O-N 2.94Å; N182-N185 PolarHBondContact O-N 3.32Å; N182-N185 VanDerWaalsContact O-N 3.13Å; N182-L186 WeakPolarHBondContact O-CG 3.49Å; N182-L186 PolarHBondContact O-N 3.46Å
183	L	78.6	Confident	77.9	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-60	-40.7	176.3	-141.8	158.3	0	0	0	111.6	M139 N142 K143 S179 A180 K181 C242 L245	M139-L183 HydrophobicContact CG-CD2 3.62Å; M139-L183 HydrophobicContact CG-CG 4.05Å; M139-L183 HydrophobicContact SD-CD2 4.38Å; N142-L183 HydrophobicContact CB-CB 4.23Å; N142-L183 HydrophobicContact CB-CD1 4.24Å; N142-L183 HydrophobicContact CB-CG 4.2Å; K143-L183 HydrophobicContact CB-CD1 3.8Å; K143-L183 HydrophobicContact CD-CD1 3.93Å; K143-L183 HydrophobicContact CG-CD1 4.47Å; S179-L183 WeakPolarHBondContact O-CB 3.38Å; S179-L183 PolarHBondContact O-N 2.96Å; A180-L183 WeakPolarHBondContact O-CB 3.48Å; A180-L183 PolarHBondContact O-N 3.09Å; K181-L183 VanDerWaalsContact C-N 3.33Å; K181-L183 PolarHBondContact O-N 3.43Å; L183-C242 HydrophobicContact CD1-CB 4.4Å; L183-L245 HydrophobicContact CD2-CB 3.97Å; L183-L245 HydrophobicContact CD2-CD2 3.47Å; L183-L245 VanDerWaalsContact CD2-CD2 3.47Å; L183-L245 HydrophobicContact CD2-CG 4.27Å; L183-L245 WeakPolarHBondContact O-CD2 3.41Å
184	A	81.3	Confident	77.5	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-65.6	-42.8	173.1	0	0	0	0	0	112.1	A180 K181 N182 L186 N187 S193 I196 I197	A180-A184 PolarHBondContact O-N 3.03Å; K181-A184 WeakPolarHBondContact O-CB 3.37Å; K181-A184 PolarHBondContact O-N 3.01Å; N182-A184 VanDerWaalsContact C-N 3.3Å; N182-A184 PolarHBondContact O-N 2.94Å; A184-L186 VanDerWaalsContact C-N 3.27Å; A184-L186 PolarHBondContact O-N 3.37Å; A184-N187 CarbonylContact O-C 3.56Å; A184-N187 VanDerWaalsContact O-C 3.26Å; A184-N187 PolarHBondContact O-N 3.4Å; A184-S193 WeakPolarHBondContact CA-OG 3.49Å; A184-S193 WeakPolarHBondContact CB-OG 3.2Å; A184-S193 WeakPolarHBondContact O-CB 3.32Å; A184-S193 PolarHBondContact O-OG 3.22Å; A184-I196 HydrophobicContact CB-CB 4.02Å; A184-I196 HydrophobicContact CB-CG2 3.79Å; A184-I197 HydrophobicContact CB-CD1 4.36Å; A184-I197 HydrophobicContact CB-CG1 3.94Å
185	N	73.4	Confident	77.5	Confident	77 Å²	77	51.2 Å²	51.2	41%	0.412	28%	0.278	S	S	.	.	H	α-helix	trans	-67.3	-24.2	-178.5	-71.2	-20.6	0	0	0	113.7	K181 N182 N187 Q188	K181-N185 WeakPolarHBondContact O-CB 3.43Å; K181-N185 PolarHBondContact O-N 3.31Å; K181-N185 PolarHBondContact O-ND2 3.34Å; N182-N185 PolarHBondContact O-N 3.32Å; N182-N185 VanDerWaalsContact O-N 3.13Å; N185-N187 PolarHBondContact O-N 3.5Å; N185-Q188 VanDerWaalsContact O-CG 3.3Å; N185-Q188 WeakPolarHBondContact O-CG 3.2Å; N185-Q188 PolarHBondContact O-NE2 3.47Å
186	L	66.1	Low	77.8	Confident	33 Å²	33	49.4 Å²	49.4	17%	0.173	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-18.2	171.2	-67.4	166.3	0	0	0	112.3	A138 M139 N182 A184	A138-L186 HydrophobicContact CB-CD1 3.6Å; A138-L186 HydrophobicContact CB-CD2 3.98Å; A138-L186 HydrophobicContact CB-CG 4.47Å; M139-L186 HydrophobicContact CB-CD1 4.31Å; N182-L186 WeakPolarHBondContact O-CG 3.49Å; N182-L186 PolarHBondContact O-N 3.46Å; A184-L186 VanDerWaalsContact C-N 3.27Å; A184-L186 PolarHBondContact O-N 3.37Å
187	N	65.5	Low	77.7	Confident	44 Å²	44	52 Å²	52	24%	0.235	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.7	54.2	-176.1	-78.5	-45.7	0	0	0	112.6	M139 A184 N185 T189 S190 S193 L245	M139-N187 WeakPolarHBondContact CE-ND2 3.3Å; A184-N187 CarbonylContact O-C 3.56Å; A184-N187 VanDerWaalsContact O-C 3.26Å; A184-N187 PolarHBondContact O-N 3.4Å; N185-N187 PolarHBondContact O-N 3.5Å; N187-T189 PolarHBondContact O-N 3.06Å; N187-S190 PolarHBondContact O-N 3.18Å; N187-S190 VanDerWaalsContact O-N 3.11Å; N187-S190 PolarHBondContact O-OG 2.7Å; N187-S193 WeakPolarHBondContact O-CB 3.26Å; N187-L245 HydrophobicContact CB-CD2 4.04Å
188	Q	63.9	Low	77.7	Confident	144 Å²	144	57.4 Å²	57.4	67%	0.673	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-23.8	-172.6	-64.7	177.1	26.9	0	0	114.5	N185 S190	N185-Q188 VanDerWaalsContact O-CG 3.3Å; N185-Q188 WeakPolarHBondContact O-CG 3.2Å; N185-Q188 PolarHBondContact O-NE2 3.47Å; Q188-S190 VanDerWaalsContact C-N 3.32Å; Q188-S190 PolarHBondContact O-N 3.46Å
189	T	53	Low	78.1	Confident	146 Å²	146	53.5 Å²	53.5	90%	0.896	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-12.4	-178.6	51.6	0	0	0	0	113.7	N187	N187-T189 PolarHBondContact O-N 3.06Å
190	S	63.4	Low	78.6	Confident	10 Å²	10	53.1 Å²	53.1	7%	0.07	28%	0.284	C	S	.	.	S	Bend	trans	-84.6	139.5	-178.3	71.1	0	0	0	0	112.5	N187 Q188 N192 S193	N187-S190 PolarHBondContact O-N 3.18Å; N187-S190 VanDerWaalsContact O-N 3.11Å; N187-S190 PolarHBondContact O-OG 2.7Å; Q188-S190 VanDerWaalsContact C-N 3.32Å; Q188-S190 PolarHBondContact O-N 3.46Å; S190-N192 PolarHBondContact O-N 2.99Å; S190-S193 WeakPolarHBondContact O-CB 3.41Å; S190-S193 PolarHBondContact O-N 3.41Å; S190-S193 VanDerWaalsContact O-N 3.12Å; S190-S193 WeakPolarHBondContact OG-CB 3.39Å; S190-S193 PolarHBondContact OG-N 3.27Å; S190-S193 VanDerWaalsContact OG-N 3.09Å
191	S	69.5	Low	78.8	Confident	98 Å²	98	56.5 Å²	56.5	69%	0.685	30%	0.303	S	S	*	.	H	α-helix	trans	-62.1	-31	173.2	74	0	0	0	0	111.9	S193 K194 A195	S191-S193 VanDerWaalsContact C-N 3.31Å; S191-S193 PolarHBondContact O-N 2.9Å; S191-K194 PolarHBondContact O-N 2.91Å; S191-A195 PolarHBondContact O-N 3.44Å
192	N	73.9	Confident	79.1	Confident	41 Å²	41	56.5 Å²	56.5	22%	0.219	30%	0.304	C	S	.	.	H	α-helix	trans	-61.9	-35.4	174.3	-72.7	-5.9	0	0	0	112.6	S190 K194 A195 I196 L245	S190-N192 PolarHBondContact O-N 2.99Å; N192-K194 PolarHBondContact O-N 3.13Å; N192-A195 PolarHBondContact O-N 2.96Å; N192-I196 VanDerWaalsContact O-CG1 3.28Å; N192-I196 WeakPolarHBondContact O-CG1 3.42Å; N192-I196 PolarHBondContact O-N 3.48Å; N192-L245 HydrophobicContact CB-CD1 3.31Å
193	S	77.3	Confident	79.9	Confident	4 Å²	4	52.9 Å²	52.9	3%	0.028	28%	0.284	C	S	.	.	H	α-helix	trans	-60.9	-45.4	178.3	174.2	0	0	0	0	111.9	A184 N187 S190 S191 A195 I196 I197	A184-S193 WeakPolarHBondContact CA-OG 3.49Å; A184-S193 WeakPolarHBondContact CB-OG 3.2Å; A184-S193 WeakPolarHBondContact O-CB 3.32Å; A184-S193 PolarHBondContact O-OG 3.22Å; N187-S193 WeakPolarHBondContact O-CB 3.26Å; S190-S193 WeakPolarHBondContact O-CB 3.41Å; S190-S193 PolarHBondContact O-N 3.41Å; S190-S193 VanDerWaalsContact O-N 3.12Å; S190-S193 WeakPolarHBondContact OG-CB 3.39Å; S190-S193 PolarHBondContact OG-N 3.27Å; S190-S193 VanDerWaalsContact OG-N 3.09Å; S191-S193 VanDerWaalsContact C-N 3.31Å; S191-S193 PolarHBondContact O-N 2.9Å; S193-A195 VanDerWaalsContact C-N 3.34Å; S193-A195 PolarHBondContact O-N 3.26Å; S193-I196 PolarHBondContact O-N 3.2Å; S193-I197 WeakPolarHBondContact O-CG1 3.34Å; S193-I197 PolarHBondContact O-N 2.78Å; S193-I197 VanDerWaalsContact O-N 3.08Å
194	K	81.3	Confident	80.6	Confident	162 Å²	162	55.3 Å²	55.3	70%	0.704	30%	0.297	S	S	*	.	H	α-helix	trans	-62.5	-40.4	173.8	-66.7	-176.9	-178.7	178	0	112.4	S191 N192 I197 H198	S191-K194 PolarHBondContact O-N 2.91Å; N192-K194 PolarHBondContact O-N 3.13Å; K194-I197 PolarHBondContact O-N 2.95Å; K194-H198 PolarHBondContact O-N 3.42Å; K194-H198 VanDerWaalsContact O-N 3.13Å
195	A	88.4	Confident	81.2	Confident	43 Å²	43	60.2 Å²	60.2	36%	0.355	32%	0.323	S	S	.	.	H	α-helix	trans	-64.8	-40	177.3	0	0	0	0	0	112.1	S191 N192 S193 L199 L241	S191-A195 PolarHBondContact O-N 3.44Å; N192-A195 PolarHBondContact O-N 2.96Å; S193-A195 VanDerWaalsContact C-N 3.34Å; S193-A195 PolarHBondContact O-N 3.26Å; A195-L199 VanDerWaalsContact O-CB 3.28Å; A195-L199 WeakPolarHBondContact O-CB 3.47Å; A195-L199 PolarHBondContact O-N 2.96Å; A195-L241 HydrophobicContact CB-CD1 4.35Å
196	I	89.7	Confident	82.1	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-61.8	-48	176.1	-72.7	166.8	0	0	0	110.6	A180 A184 N192 S193 H198 L199 C200 L238 L241 L245	A180-I196 HydrophobicContact CB-CG2 4.06Å; A180-I196 WeakPolarHBondContact O-CG2 3.41Å; A184-I196 HydrophobicContact CB-CB 4.02Å; A184-I196 HydrophobicContact CB-CG2 3.79Å; N192-I196 VanDerWaalsContact O-CG1 3.28Å; N192-I196 WeakPolarHBondContact O-CG1 3.42Å; N192-I196 PolarHBondContact O-N 3.48Å; S193-I196 PolarHBondContact O-N 3.2Å; I196-H198 PolarHBondContact O-N 3Å; I196-L199 PolarHBondContact O-N 3.34Å; I196-C200 PolarHBondContact O-N 3.32Å; I196-C200 PolarHBondContact O-SG 3.23Å; I196-L238 HydrophobicContact CG2-CD1 3.95Å; I196-L241 HydrophobicContact CD1-CB 4.28Å; I196-L241 HydrophobicContact CG1-CB 3.84Å; I196-L241 HydrophobicContact CG1-CD1 4.32Å; I196-L245 HydrophobicContact CD1-CB 4.36Å; I196-L245 HydrophobicContact CD1-CD1 3.93Å; I196-L245 HydrophobicContact CD1-CD2 3.99Å; I196-L245 HydrophobicContact CD1-CG 4.33Å
197	I	89.1	Confident	83.3	Confident	55 Å²	55	59 Å²	59	28%	0.282	31%	0.312	S	S	.	.	H	α-helix	trans	-59.5	-49.9	-179.6	-66.8	172.7	0	0	0	110.4	A184 S193 K194 L199 C200 D201	A184-I197 HydrophobicContact CB-CD1 4.36Å; A184-I197 HydrophobicContact CB-CG1 3.94Å; S193-I197 WeakPolarHBondContact O-CG1 3.34Å; S193-I197 PolarHBondContact O-N 2.78Å; S193-I197 VanDerWaalsContact O-N 3.08Å; K194-I197 PolarHBondContact O-N 2.95Å; I197-L199 VanDerWaalsContact C-N 3.35Å; I197-L199 PolarHBondContact O-N 3.26Å; I197-C200 WeakPolarHBondContact O-CB 3.46Å; I197-C200 PolarHBondContact O-N 3.24Å; I197-C200 VanDerWaalsContact O-N 3.16Å; I197-D201 PolarHBondContact O-N 2.94Å; I197-D201 VanDerWaalsContact O-N 3.14Å
198	H	91.9	Very high	84.5	Confident	117 Å²	117	60.5 Å²	60.5	54%	0.542	32%	0.317	S	S	.	.	H	α-helix	trans	-60.1	-43.3	178.4	-174.2	-80.5	0	0	0	112.5	K194 I196 C200 D201 E202	K194-H198 PolarHBondContact O-N 3.42Å; K194-H198 VanDerWaalsContact O-N 3.13Å; I196-H198 PolarHBondContact O-N 3Å; H198-C200 VanDerWaalsContact C-N 3.28Å; H198-C200 PolarHBondContact O-N 3.23Å; H198-D201 PolarHBondContact O-N 3.22Å; H198-E202 IonicContact CE1-OE1 3.61Å; H198-E202 PolarHBondContact CE1-OE1 3.19Å; H198-E202 IonicContact ND1-OE1 3.97Å; H198-E202 PolarHBondContact O-N 3.48Å
199	L	94.5	Very high	85.8	Confident	8 Å²	8	56.3 Å²	56.3	4%	0.042	30%	0.304	C	S	.	.	H	α-helix	trans	-66	-32.8	179	-162.5	75.9	0	0	0	111.8	A195 I196 I197 L203 K234 Q237 L238 L241	A195-L199 VanDerWaalsContact O-CB 3.28Å; A195-L199 WeakPolarHBondContact O-CB 3.47Å; A195-L199 PolarHBondContact O-N 2.96Å; I196-L199 PolarHBondContact O-N 3.34Å; I197-L199 VanDerWaalsContact C-N 3.35Å; I197-L199 PolarHBondContact O-N 3.26Å; L199-L203 HydrophobicContact CG-CD1 4.4Å; L199-L203 WeakPolarHBondContact O-CB 3.29Å; L199-L203 VanDerWaalsContact O-CG 3.3Å; L199-L203 WeakPolarHBondContact O-CG 3.36Å; L199-L203 PolarHBondContact O-N 3.26Å; L199-K234 HydrophobicContact CD1-CG 4.45Å; L199-Q237 HydrophobicContact CD2-CB 4.15Å; L199-Q237 HydrophobicContact CD2-CG 4.02Å; L199-L238 HydrophobicContact CD2-CB 3.65Å; L199-L238 HydrophobicContact CD2-CD1 4.03Å; L199-L238 HydrophobicContact CD2-CG 4.45Å; L199-L241 HydrophobicContact CD2-CD1 4.15Å
200	C	94.5	Very high	87.5	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-66.6	-39.7	174.8	-68.1	0	0	0	0	112.1	L177 K181 I196 I197 H198 L203 N204	L177-C200 HydrophobicContact CB-CB 4.4Å; L177-C200 HydrophobicContact CD2-CB 4.05Å; K181-C200 HydrophobicContact CD-CB 4.35Å; K181-C200 VanDerWaalsContact CE-CB 3.46Å; K181-C200 HydrophobicContact CG-CB 4.03Å; I196-C200 PolarHBondContact O-N 3.32Å; I196-C200 PolarHBondContact O-SG 3.23Å; I197-C200 WeakPolarHBondContact O-CB 3.46Å; I197-C200 PolarHBondContact O-N 3.24Å; I197-C200 VanDerWaalsContact O-N 3.16Å; H198-C200 VanDerWaalsContact C-N 3.28Å; H198-C200 PolarHBondContact O-N 3.23Å; C200-L203 PolarHBondContact O-N 3.44Å; C200-N204 PolarHBondContact O-N 3.45Å
201	D	92.8	Very high	88.6	Confident	72 Å²	72	49 Å²	49	39%	0.385	26%	0.259	S	S	.	.	H	α-helix	trans	-66.7	-44.8	177.5	-64.3	-26.5	0	0	0	110.8	K181 I197 H198 L203 N204 D205	K181-D201 WeakPolarHBondContact CE-OD1 3.48Å; K181-D201 IonicContact NZ-OD1 2.66Å; K181-D201 PolarHBondContact NZ-OD1 3.3Å; I197-D201 PolarHBondContact O-N 2.94Å; I197-D201 VanDerWaalsContact O-N 3.14Å; H198-D201 PolarHBondContact O-N 3.22Å; D201-L203 PolarHBondContact O-N 3.32Å; D201-N204 WeakPolarHBondContact O-CB 3.09Å; D201-N204 PolarHBondContact O-N 3.33Å; D201-D205 PolarHBondContact O-N 3.32Å; D201-D205 VanDerWaalsContact O-N 3.09Å
202	E	95	Very high	89.4	Confident	57 Å²	57	50.7 Å²	50.7	27%	0.266	26%	0.255	S	S	.	.	H	α-helix	trans	-59.5	-45	173.7	-72.8	-174.5	159.8	0	0	112.7	H198 N204 D205 Y206 K234	H198-E202 IonicContact CE1-OE1 3.61Å; H198-E202 PolarHBondContact CE1-OE1 3.19Å; H198-E202 IonicContact ND1-OE1 3.97Å; H198-E202 PolarHBondContact O-N 3.48Å; E202-N204 VanDerWaalsContact C-N 3.26Å; E202-N204 PolarHBondContact O-N 3.14Å; E202-D205 PolarHBondContact O-N 2.96Å; E202-Y206 WeakPolarHBondContact O-CD2 3.22Å; E202-Y206 PolarHBondContact O-N 2.83Å; E202-K234 IonicContact OE1-NZ 2.98Å; E202-K234 IonicContact OE2-NZ 3.98Å; E202-K234 PolarHBondContact OE2-NZ 3.02Å
203	L	95.1	Very high	90	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-60.2	-38.9	178.3	-83.7	166.3	0	0	0	111.7	L177 L199 C200 D201 A207 L231 K234 L235 L238	L177-L203 HydrophobicContact CD1-CB 4.35Å; L177-L203 HydrophobicContact CD2-CB 3.85Å; L177-L203 HydrophobicContact CD2-CD1 3.83Å; L177-L203 HydrophobicContact CD2-CG 4.5Å; L199-L203 HydrophobicContact CG-CD1 4.4Å; L199-L203 WeakPolarHBondContact O-CB 3.29Å; L199-L203 VanDerWaalsContact O-CG 3.3Å; L199-L203 WeakPolarHBondContact O-CG 3.36Å; L199-L203 PolarHBondContact O-N 3.26Å; C200-L203 PolarHBondContact O-N 3.44Å; D201-L203 PolarHBondContact O-N 3.32Å; L203-A207 VanDerWaalsContact O-CB 3.24Å; L203-A207 WeakPolarHBondContact O-CB 3.44Å; L203-A207 PolarHBondContact O-N 2.68Å; L203-L231 HydrophobicContact CD2-CD2 3.7Å; L203-K234 HydrophobicContact CD2-CB 3.59Å; L203-K234 HydrophobicContact CG-CB 4.08Å; L203-L235 HydrophobicContact CD1-CD1 4.47Å; L203-L235 HydrophobicContact CD2-CB 4.45Å; L203-L238 HydrophobicContact CD1-CB 4.04Å; L203-L238 HydrophobicContact CD1-CD2 3.64Å; L203-L238 HydrophobicContact CD1-CG 4.38Å
204	N	93.5	Very high	90.3	Very high	50 Å²	50	50.6 Å²	50.6	27%	0.267	25%	0.252	S	S	.	.	H	α-helix	trans	-63.1	-43.8	175.6	-174.4	61.8	0	0	0	111.3	L177 C200 D201 E202 A207 Q208	L177-N204 HydrophobicContact CD1-CB 3.93Å; C200-N204 PolarHBondContact O-N 3.45Å; D201-N204 WeakPolarHBondContact O-CB 3.09Å; D201-N204 PolarHBondContact O-N 3.33Å; E202-N204 VanDerWaalsContact C-N 3.26Å; E202-N204 PolarHBondContact O-N 3.14Å; N204-A207 PolarHBondContact O-N 2.71Å; N204-Q208 WeakPolarHBondContact O-CG 3.26Å; N204-Q208 PolarHBondContact O-N 3.3Å
205	D	93.1	Very high	90.3	Very high	103 Å²	103	50 Å²	50	55%	0.551	25%	0.246	S	C	*	.	H	α-helix	trans	-64	-44.1	179.2	-68	-18.7	0	0	0	112.6	D201 E202 A207 Q208 S209	D201-D205 PolarHBondContact O-N 3.32Å; D201-D205 VanDerWaalsContact O-N 3.09Å; E202-D205 PolarHBondContact O-N 2.96Å; D205-A207 VanDerWaalsContact C-N 3.33Å; D205-A207 PolarHBondContact O-N 3.23Å; D205-Q208 PolarHBondContact O-N 2.68Å; D205-S209 PolarHBondContact O-N 3.44Å; D205-S209 VanDerWaalsContact O-N 3.09Å; D205-S209 PolarHBondContact O-OG 3.47Å
206	Y	93.5	Very high	89.9	Confident	85 Å²	85	50.6 Å²	50.6	33%	0.333	25%	0.247	S	C	.	.	H	α-helix	trans	-64.1	-38.8	174.3	-76.5	-67.1	0	0	0	112	E202 S209 L210 I227 T230 K234	E202-Y206 WeakPolarHBondContact O-CD2 3.22Å; E202-Y206 PolarHBondContact O-N 2.83Å; Y206-S209 WeakPolarHBondContact O-CB 3.49Å; Y206-S209 PolarHBondContact O-N 3.42Å; Y206-L210 PolarHBondContact O-N 2.91Å; Y206-I227 HydrophobicContact CD1-CG2 4.31Å; Y206-I227 WeakPolarHBondContact O-CG2 3.21Å; Y206-T230 HydrophobicContact CD1-CG2 4.41Å; Y206-T230 HydrophobicContact CE1-CG2 4.07Å; Y206-T230 HydrophobicContact CE2-CG2 4.22Å; Y206-K234 HydrophobicContact CD2-CD 4.03Å; Y206-K234 HydrophobicContact CE2-CD 3.87Å
207	A	91	Very high	89.3	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.008	28%	0.28	C	S	.	.	H	α-helix	trans	-65.4	-44.7	178.2	0	0	0	0	0	112.3	L173 L203 N204 D205 S209 L210 I211 L231	L173-A207 HydrophobicContact CD2-CB 3.11Å; L203-A207 VanDerWaalsContact O-CB 3.24Å; L203-A207 WeakPolarHBondContact O-CB 3.44Å; L203-A207 PolarHBondContact O-N 2.68Å; N204-A207 PolarHBondContact O-N 2.71Å; D205-A207 VanDerWaalsContact C-N 3.33Å; D205-A207 PolarHBondContact O-N 3.23Å; A207-S209 PolarHBondContact O-N 3.01Å; A207-L210 PolarHBondContact O-N 2.71Å; A207-L210 VanDerWaalsContact O-N 3.16Å; A207-I211 WeakPolarHBondContact O-CB 3.44Å; A207-I211 WeakPolarHBondContact O-CD1 3.44Å; A207-I211 WeakPolarHBondContact O-CG1 3.49Å; A207-I211 PolarHBondContact O-N 3Å; A207-L231 HydrophobicContact CB-CD1 4.44Å; A207-L231 HydrophobicContact CB-CD2 4.23Å
208	Q	90.7	Very high	88.7	Confident	74 Å²	74	57.1 Å²	57.1	35%	0.346	29%	0.294	S	S	.	.	H	α-helix	trans	-60.2	-38.6	175	-68.7	-57.5	-29.9	0	0	111.4	E170 N204 D205 I211 H212	E170-Q208 PolarHBondContact OE1-NE2 3.44Å; N204-Q208 WeakPolarHBondContact O-CG 3.26Å; N204-Q208 PolarHBondContact O-N 3.3Å; D205-Q208 PolarHBondContact O-N 2.68Å; Q208-I211 PolarHBondContact O-N 2.68Å; Q208-H212 WeakPolarHBondContact O-CB 3.25Å; Q208-H212 PolarHBondContact O-N 2.86Å
209	S	90.7	Very high	87.6	Confident	57 Å²	57	52 Å²	52	40%	0.399	27%	0.273	S	S	.	.	H	α-helix	trans	-63.4	-44.3	173.9	-56.7	0	0	0	0	112.5	D205 Y206 A207 H212 L213	D205-S209 PolarHBondContact O-N 3.44Å; D205-S209 VanDerWaalsContact O-N 3.09Å; D205-S209 PolarHBondContact O-OG 3.47Å; Y206-S209 WeakPolarHBondContact O-CB 3.49Å; Y206-S209 PolarHBondContact O-N 3.42Å; A207-S209 PolarHBondContact O-N 3.01Å; S209-H212 PolarHBondContact O-N 3.02Å; S209-L213 PolarHBondContact O-N 3.5Å
210	L	88.6	Confident	86.7	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-64	-43.3	176.5	-176.9	61.7	0	0	0	111.9	Y206 A207 H212 L213 R214 A224 I227 A228 L231	Y206-L210 PolarHBondContact O-N 2.91Å; A207-L210 PolarHBondContact O-N 2.71Å; A207-L210 VanDerWaalsContact O-N 3.16Å; L210-H212 VanDerWaalsContact C-N 3.31Å; L210-H212 PolarHBondContact O-N 3.32Å; L210-L213 PolarHBondContact O-N 3.3Å; L210-R214 HydrophobicContact CD1-CG 4.5Å; L210-R214 WeakPolarHBondContact O-CB 3.47Å; L210-R214 WeakPolarHBondContact O-CG 3.28Å; L210-R214 PolarHBondContact O-N 2.85Å; L210-A224 HydrophobicContact CD1-CB 4.23Å; L210-I227 HydrophobicContact CB-CG2 3.87Å; L210-I227 HydrophobicContact CD1-CG2 4.49Å; L210-A228 HydrophobicContact CD1-CB 4.39Å; L210-A228 HydrophobicContact CD2-CB 4.35Å; L210-L231 HydrophobicContact CB-CD1 4.05Å; L210-L231 HydrophobicContact CD2-CD1 3.69Å
211	I	86	Confident	86.1	Confident	2 Å²	2	57.4 Å²	57.4	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-62.1	-42.8	177.5	-69.1	159.2	0	0	0	110	W156 E170 A207 Q208 L213 R214 R215	W156-I211 HydrophobicContact CH2-CD1 4.2Å; W156-I211 HydrophobicContact CH2-CG1 3.86Å; W156-I211 HydrophobicContact CZ2-CG1 4.11Å; E170-I211 HydrophobicContact CB-CD1 3.83Å; E170-I211 HydrophobicContact CG-CD1 3.55Å; A207-I211 WeakPolarHBondContact O-CB 3.44Å; A207-I211 WeakPolarHBondContact O-CD1 3.44Å; A207-I211 WeakPolarHBondContact O-CG1 3.49Å; A207-I211 PolarHBondContact O-N 3Å; Q208-I211 PolarHBondContact O-N 2.68Å; I211-L213 PolarHBondContact O-N 3.29Å; I211-R214 PolarHBondContact O-N 3.09Å; I211-R215 HydrophobicContact CG2-CG 4.39Å; I211-R215 WeakPolarHBondContact O-CB 3.34Å; I211-R215 WeakPolarHBondContact O-CG 3.38Å; I211-R215 PolarHBondContact O-N 3.25Å
212	H	87.2	Confident	85.7	Confident	132 Å²	132	59.1 Å²	59.1	61%	0.611	33%	0.326	S	S	*	.	H	α-helix	trans	-60.8	-44.3	175.7	-175.7	-85	0	0	0	112	Q208 S209 L210 R215 S216	Q208-H212 WeakPolarHBondContact O-CB 3.25Å; Q208-H212 PolarHBondContact O-N 2.86Å; S209-H212 PolarHBondContact O-N 3.02Å; L210-H212 VanDerWaalsContact C-N 3.31Å; L210-H212 PolarHBondContact O-N 3.32Å; H212-R215 PolarHBondContact O-N 2.88Å; H212-S216 WeakPolarHBondContact O-CB 3.25Å; H212-S216 PolarHBondContact O-N 3.47Å; H212-S216 PolarHBondContact O-OG 3.5Å
213	L	85.6	Confident	85.4	Confident	22 Å²	22	62.3 Å²	62.3	12%	0.115	34%	0.341	C	S	.	.	H	α-helix	trans	-64.6	-41.9	176.3	-76.1	168.5	0	0	0	112.8	S209 L210 I211 S216 G217 H218 G219 E223 A224 I227	S209-L213 PolarHBondContact O-N 3.5Å; L210-L213 PolarHBondContact O-N 3.3Å; I211-L213 PolarHBondContact O-N 3.29Å; L213-S216 WeakPolarHBondContact CA-OG 3.49Å; L213-S216 PolarHBondContact O-N 2.93Å; L213-S216 PolarHBondContact O-OG 3.4Å; L213-S216 VanDerWaalsContact O-OG 3.07Å; L213-G217 PolarHBondContact O-N 3.46Å; L213-H218 HydrophobicContact CD2-CB 4.18Å; L213-H218 CarbonylContact O-C 3.5Å; L213-H218 PolarHBondContact O-N 3.23Å; L213-G219 PolarHBondContact O-N 3.02Å; L213-E223 HydrophobicContact CD1-CG 4.09Å; L213-A224 HydrophobicContact CB-CB 4.31Å; L213-A224 HydrophobicContact CD1-CB 4.13Å; L213-I227 HydrophobicContact CD1-CD1 3.51Å
214	R	85	Confident	85	Confident	21 Å²	21	62.4 Å²	62.4	8%	0.079	34%	0.342	C	S	.	.	H	α-helix	trans	-62.8	-45.8	175.3	-75.1	171.9	170.9	-172.3	-1.1	111.2	W156 I157 D159 C162 M166 L210 I211 S216 G217	W156-R214 VanDerWaalsContact CZ2-NH1 3.25Å; W156-R214 PolarHBondContact O-NH1 3.23Å; W156-R214 VanDerWaalsContact O-NH1 3.14Å; W156-R214 PolarHBondContact O-NH2 3.36Å; I157-R214 PolarHBondContact O-NH2 2.98Å; D159-R214 PolarHBondContact O-NH2 3.27Å; C162-R214 VanDerWaalsContact SG-CD 3.55Å; M166-R214 HydrophobicContact SD-CB 4Å; L210-R214 HydrophobicContact CD1-CG 4.5Å; L210-R214 WeakPolarHBondContact O-CB 3.47Å; L210-R214 WeakPolarHBondContact O-CG 3.28Å; L210-R214 PolarHBondContact O-N 2.85Å; I211-R214 PolarHBondContact O-N 3.09Å; R214-S216 VanDerWaalsContact C-N 3.32Å; R214-S216 PolarHBondContact O-N 3.03Å; R214-G217 PolarHBondContact O-N 3.43Å; R214-G217 VanDerWaalsContact O-N 3.15Å
215	R	79.8	Confident	84.7	Confident	151 Å²	151	63 Å²	63	57%	0.57	35%	0.345	S	S	*	.	H	α-helix	trans	-63.2	-34.2	176.7	-76.9	178.7	-172.5	173.7	9.3	113.4	M166 E170 I211 H212 G217	M166-R215 HydrophobicContact CE-CG 3.51Å; M166-R215 HydrophobicContact SD-CG 3.83Å; E170-R215 IonicContact OE2-NH2 2.63Å; E170-R215 PolarHBondContact OE2-NH2 3.23Å; E170-R215 VanDerWaalsContact OE2-NH2 3.13Å; I211-R215 HydrophobicContact CG2-CG 4.39Å; I211-R215 WeakPolarHBondContact O-CB 3.34Å; I211-R215 WeakPolarHBondContact O-CG 3.38Å; I211-R215 PolarHBondContact O-N 3.25Å; H212-R215 PolarHBondContact O-N 2.88Å; R215-G217 PolarHBondContact O-N 3.44Å
216	S	81.4	Confident	84.7	Confident	55 Å²	55	64.4 Å²	64.4	39%	0.385	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	8.4	177.4	52.5	0	0	0	0	113.8	H212 L213 R214 H218	H212-S216 WeakPolarHBondContact O-CB 3.25Å; H212-S216 PolarHBondContact O-N 3.47Å; H212-S216 PolarHBondContact O-OG 3.5Å; L213-S216 WeakPolarHBondContact CA-OG 3.49Å; L213-S216 PolarHBondContact O-N 2.93Å; L213-S216 PolarHBondContact O-OG 3.4Å; L213-S216 VanDerWaalsContact O-OG 3.07Å; R214-S216 VanDerWaalsContact C-N 3.32Å; R214-S216 PolarHBondContact O-N 3.03Å; S216-H218 VanDerWaalsContact C-N 3.27Å; S216-H218 PolarHBondContact O-N 3.03Å; S216-H218 PolarHBondContact O-ND1 3.17Å
217	G	75.7	Confident	84.6	Confident	67 Å²	67	61.2 Å²	61.2	69%	0.691	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	3.3	176.4	0	0	0	0	0	115.1	L213 R214 R215	L213-G217 PolarHBondContact O-N 3.46Å; R214-G217 PolarHBondContact O-N 3.43Å; R214-G217 VanDerWaalsContact O-N 3.15Å; R215-G217 PolarHBondContact O-N 3.44Å
218	H	77.8	Confident	84.6	Confident	125 Å²	125	61.6 Å²	61.6	58%	0.579	34%	0.339	S	S	*	.			trans	-98.3	20.1	-179.6	-64.9	79.4	0	0	0	112.5	L213 S216 N220 G221 A224	L213-H218 HydrophobicContact CD2-CB 4.18Å; L213-H218 CarbonylContact O-C 3.5Å; L213-H218 PolarHBondContact O-N 3.23Å; S216-H218 VanDerWaalsContact C-N 3.27Å; S216-H218 PolarHBondContact O-N 3.03Å; S216-H218 PolarHBondContact O-ND1 3.17Å; H218-N220 PolarHBondContact O-N 3.48Å; H218-N220 VanDerWaalsContact O-N 3.09Å; H218-G221 PolarHBondContact O-N 2.98Å; H218-A224 WeakPolarHBondContact O-CB 3.44Å
219	G	68.9	Low	84.7	Confident	9 Å²	9	63.3 Å²	63.3	9%	0.093	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-22	-177.2	0	0	0	0	0	115.2	L213 A224	L213-G219 PolarHBondContact O-N 3.02Å; G219-A224 VanDerWaalsContact O-CB 3.24Å; G219-A224 WeakPolarHBondContact O-CB 3.45Å
220	N	75.3	Confident	84.9	Confident	94 Å²	94	61.9 Å²	61.9	50%	0.503	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	2.8	178	-65.8	-3.5	0	0	0	113.3	S160 N161 H218 N225	S160-N220 VanDerWaalsContact C-OD1 3.28Å; S160-N220 PolarHBondContact O-OD1 3.31Å; N161-N220 PolarHBondContact OD1-ND2 2.77Å; H218-N220 PolarHBondContact O-N 3.48Å; H218-N220 VanDerWaalsContact O-N 3.09Å; N220-N225 PolarHBondContact O-ND2 3.4Å
221	G	80.6	Confident	85.1	Confident	27 Å²	27	61.9 Å²	61.9	28%	0.278	34%	0.34	S	S	.	.	S	Bend	trans	-68.6	160.2	-178.4	0	0	0	0	0	113.1	H218 E223 A224 N225	H218-G221 PolarHBondContact O-N 2.98Å; G221-E223 PolarHBondContact O-N 3.16Å; G221-A224 PolarHBondContact O-N 3.04Å; G221-N225 PolarHBondContact O-N 3.05Å; G221-N225 PolarHBondContact O-ND2 2.96Å
222	S	85.8	Confident	85.5	Confident	109 Å²	109	63.1 Å²	63.1	76%	0.762	35%	0.349	S	S	*	.	H	α-helix	trans	-57.9	-35.2	175	53.6	0	0	0	0	112.3	H226	S222-H226 WeakPolarHBondContact O-CB 3.23Å; S222-H226 PolarHBondContact O-N 3.45Å
223	E	88.1	Confident	85.9	Confident	124 Å²	124	61.2 Å²	61.2	58%	0.579	35%	0.347	S	S	*	.	H	α-helix	trans	-67.2	-47	175.9	-171.4	178.1	-176.1	0	0	112.1	L213 G221 N225 H226 I227	L213-E223 HydrophobicContact CD1-CG 4.09Å; G221-E223 PolarHBondContact O-N 3.16Å; E223-N225 VanDerWaalsContact C-N 3.34Å; E223-N225 PolarHBondContact O-N 3.5Å; E223-H226 WeakPolarHBondContact O-CB 3.34Å; E223-H226 PolarHBondContact O-N 3.04Å; E223-H226 VanDerWaalsContact O-N 3.15Å; E223-I227 HydrophobicContact CG-CD1 4.19Å; E223-I227 WeakPolarHBondContact O-CG1 3.43Å; E223-I227 PolarHBondContact O-N 3.32Å
224	A	86.4	Confident	86.3	Confident	1 Å²	1	61.9 Å²	61.9	1%	0.008	35%	0.349	C	S	.	.	H	α-helix	trans	-61.7	-42.4	176.9	0	0	0	0	0	111.6	L210 L213 H218 G219 G221 H226 I227 A228	L210-A224 HydrophobicContact CD1-CB 4.23Å; L213-A224 HydrophobicContact CB-CB 4.31Å; L213-A224 HydrophobicContact CD1-CB 4.13Å; H218-A224 WeakPolarHBondContact O-CB 3.44Å; G219-A224 VanDerWaalsContact O-CB 3.24Å; G219-A224 WeakPolarHBondContact O-CB 3.45Å; G221-A224 PolarHBondContact O-N 3.04Å; A224-H226 VanDerWaalsContact C-N 3.34Å; A224-H226 PolarHBondContact O-N 3.45Å; A224-I227 PolarHBondContact O-N 2.93Å; A224-A228 VanDerWaalsContact O-CB 3.31Å; A224-A228 WeakPolarHBondContact O-CB 3.37Å; A224-A228 PolarHBondContact O-N 3.42Å
225	N	88.4	Confident	86.8	Confident	63 Å²	63	60.9 Å²	60.9	34%	0.337	35%	0.345	S	S	.	.	H	α-helix	trans	-64.4	-37.1	174.6	-73.2	-35.3	0	0	0	112.3	N220 G221 E223 N229	N220-N225 PolarHBondContact O-ND2 3.4Å; G221-N225 PolarHBondContact O-N 3.05Å; G221-N225 PolarHBondContact O-ND2 2.96Å; E223-N225 VanDerWaalsContact C-N 3.34Å; E223-N225 PolarHBondContact O-N 3.5Å; N225-N229 WeakPolarHBondContact O-CB 3.29Å; N225-N229 VanDerWaalsContact O-CG 3.24Å; N225-N229 PolarHBondContact O-N 3.25Å; N225-N229 PolarHBondContact O-ND2 3.14Å
226	H	91.2	Very high	87.5	Confident	132 Å²	132	57.1 Å²	57.1	61%	0.611	34%	0.336	S	S	*	.	H	α-helix	trans	-65.9	-43.8	175.7	-175.2	60.1	0	0	0	111.9	S222 E223 A224 N229 T230	S222-H226 WeakPolarHBondContact O-CB 3.23Å; S222-H226 PolarHBondContact O-N 3.45Å; E223-H226 WeakPolarHBondContact O-CB 3.34Å; E223-H226 PolarHBondContact O-N 3.04Å; E223-H226 VanDerWaalsContact O-N 3.15Å; A224-H226 VanDerWaalsContact C-N 3.34Å; A224-H226 PolarHBondContact O-N 3.45Å; H226-N229 PolarHBondContact O-N 3.03Å; H226-T230 WeakPolarHBondContact O-CB 3.31Å; H226-T230 PolarHBondContact O-N 3Å; H226-T230 PolarHBondContact O-OG1 3.49Å
227	I	92.5	Very high	88.1	Confident	18 Å²	18	59.1 Å²	59.1	9%	0.092	34%	0.339	C	S	.	.	H	α-helix	trans	-65	-43.6	175.8	-68.2	165.3	0	0	0	110.6	Y206 L210 L213 E223 A224 N229 T230 L231	Y206-I227 HydrophobicContact CD1-CG2 4.31Å; Y206-I227 WeakPolarHBondContact O-CG2 3.21Å; L210-I227 HydrophobicContact CB-CG2 3.87Å; L210-I227 HydrophobicContact CD1-CG2 4.49Å; L213-I227 HydrophobicContact CD1-CD1 3.51Å; E223-I227 HydrophobicContact CG-CD1 4.19Å; E223-I227 WeakPolarHBondContact O-CG1 3.43Å; E223-I227 PolarHBondContact O-N 3.32Å; A224-I227 PolarHBondContact O-N 2.93Å; I227-N229 PolarHBondContact O-N 3.13Å; I227-T230 WeakPolarHBondContact O-CB 3.48Å; I227-T230 PolarHBondContact O-N 3.27Å; I227-L231 HydrophobicContact CG2-CD1 4.07Å; I227-L231 WeakPolarHBondContact O-CB 3.28Å; I227-L231 PolarHBondContact O-N 2.91Å
228	A	91.1	Very high	88.9	Confident	9 Å²	9	55.9 Å²	55.9	7%	0.074	31%	0.306	C	S	.	.	H	α-helix	trans	-60.2	-43.8	176.7	0	0	0	0	0	112.2	I157 L210 A224 T230 L231 S232	I157-A228 HydrophobicContact CG2-CB 3.99Å; I157-A228 WeakPolarHBondContact CG2-O 3.47Å; L210-A228 HydrophobicContact CD1-CB 4.39Å; L210-A228 HydrophobicContact CD2-CB 4.35Å; A224-A228 VanDerWaalsContact O-CB 3.31Å; A224-A228 WeakPolarHBondContact O-CB 3.37Å; A224-A228 PolarHBondContact O-N 3.42Å; A228-T230 VanDerWaalsContact C-N 3.33Å; A228-T230 PolarHBondContact O-N 2.82Å; A228-L231 WeakPolarHBondContact O-CB 3.3Å; A228-L231 PolarHBondContact O-N 3.26Å; A228-S232 WeakPolarHBondContact O-CB 3.4Å; A228-S232 PolarHBondContact O-N 3.36Å
229	N	92.5	Very high	89.7	Confident	110 Å²	110	51.1 Å²	51.1	59%	0.588	29%	0.287	S	S	*	.	H	α-helix	trans	-64	-37.9	175.1	-73.8	-27.2	0	0	0	112.4	N225 H226 I227 S232 T233	N225-N229 WeakPolarHBondContact O-CB 3.29Å; N225-N229 VanDerWaalsContact O-CG 3.24Å; N225-N229 PolarHBondContact O-N 3.25Å; N225-N229 PolarHBondContact O-ND2 3.14Å; H226-N229 PolarHBondContact O-N 3.03Å; I227-N229 PolarHBondContact O-N 3.13Å; N229-S232 PolarHBondContact O-N 3.48Å; N229-T233 PolarHBondContact O-N 2.97Å; N229-T233 PolarHBondContact O-OG1 3.16Å
230	T	94.1	Very high	90.7	Very high	28 Å²	28	59.1 Å²	59.1	17%	0.172	31%	0.314	C	S	.	.	H	α-helix	trans	-67	-42.4	175.9	-55.9	0	0	0	0	111.4	Y206 H226 I227 A228 T233 K234	Y206-T230 HydrophobicContact CD1-CG2 4.41Å; Y206-T230 HydrophobicContact CE1-CG2 4.07Å; Y206-T230 HydrophobicContact CE2-CG2 4.22Å; H226-T230 WeakPolarHBondContact O-CB 3.31Å; H226-T230 PolarHBondContact O-N 3Å; H226-T230 PolarHBondContact O-OG1 3.49Å; I227-T230 WeakPolarHBondContact O-CB 3.48Å; I227-T230 PolarHBondContact O-N 3.27Å; A228-T230 VanDerWaalsContact C-N 3.33Å; A228-T230 PolarHBondContact O-N 2.82Å; T230-T233 WeakPolarHBondContact CA-OG1 3.19Å; T230-T233 PolarHBondContact O-N 3.19Å; T230-T233 PolarHBondContact O-OG1 3.35Å; T230-K234 HydrophobicContact CG2-CD 4.26Å; T230-K234 WeakPolarHBondContact O-CB 3.22Å; T230-K234 PolarHBondContact O-N 3.12Å
231	L	94	Very high	91.3	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-58.2	-49.5	172.1	-101.8	154.5	0	0	0	111.3	I157 L203 A207 L210 I227 A228 T233 K234 L235	I157-L231 HydrophobicContact CD1-CB 4.09Å; I157-L231 HydrophobicContact CD1-CD2 4.3Å; I157-L231 HydrophobicContact CG1-CB 4.39Å; I157-L231 HydrophobicContact CG2-CB 4.02Å; L203-L231 HydrophobicContact CD2-CD2 3.7Å; A207-L231 HydrophobicContact CB-CD1 4.44Å; A207-L231 HydrophobicContact CB-CD2 4.23Å; L210-L231 HydrophobicContact CB-CD1 4.05Å; L210-L231 HydrophobicContact CD2-CD1 3.69Å; I227-L231 HydrophobicContact CG2-CD1 4.07Å; I227-L231 WeakPolarHBondContact O-CB 3.28Å; I227-L231 PolarHBondContact O-N 2.91Å; A228-L231 WeakPolarHBondContact O-CB 3.3Å; A228-L231 PolarHBondContact O-N 3.26Å; L231-T233 VanDerWaalsContact C-N 3.35Å; L231-T233 PolarHBondContact O-N 3.36Å; L231-K234 PolarHBondContact O-N 3.13Å; L231-L235 WeakPolarHBondContact O-CB 3.5Å; L231-L235 PolarHBondContact O-N 3.42Å
232	S	94	Very high	91.7	Very high	29 Å²	29	54.6 Å²	54.6	20%	0.203	28%	0.284	C	S	.	.	H	α-helix	trans	-62.6	-40.9	-179.4	-171	0	0	0	0	112.1	A228 N229 N236	A228-S232 WeakPolarHBondContact O-CB 3.4Å; A228-S232 PolarHBondContact O-N 3.36Å; N229-S232 PolarHBondContact O-N 3.48Å; S232-N236 WeakPolarHBondContact O-CB 3.39Å; S232-N236 PolarHBondContact O-N 3.44Å; S232-N236 PolarHBondContact O-ND2 3.47Å
233	T	94.9	Very high	91.6	Very high	92 Å²	92	54.9 Å²	54.9	56%	0.564	27%	0.271	S	S	*	.	H	α-helix	trans	-66.9	-45.6	176.3	37.8	0	0	0	0	112.6	N229 T230 L231 N236 Q237	N229-T233 PolarHBondContact O-N 2.97Å; N229-T233 PolarHBondContact O-OG1 3.16Å; T230-T233 WeakPolarHBondContact CA-OG1 3.19Å; T230-T233 PolarHBondContact O-N 3.19Å; T230-T233 PolarHBondContact O-OG1 3.35Å; L231-T233 VanDerWaalsContact C-N 3.35Å; L231-T233 PolarHBondContact O-N 3.36Å; T233-N236 PolarHBondContact O-N 3.36Å; T233-Q237 PolarHBondContact O-N 3.2Å
234	K	95.3	Very high	91.1	Very high	36 Å²	36	52.8 Å²	52.8	16%	0.157	26%	0.264	C	S	.	.	H	α-helix	trans	-67.2	-35.5	176.2	-74.7	-178.6	177.6	-79.9	0	112.6	L199 E202 L203 Y206 T230 L231 N236 Q237 L238	L199-K234 HydrophobicContact CD1-CG 4.45Å; E202-K234 IonicContact OE1-NZ 2.98Å; E202-K234 IonicContact OE2-NZ 3.98Å; E202-K234 PolarHBondContact OE2-NZ 3.02Å; L203-K234 HydrophobicContact CD2-CB 3.59Å; L203-K234 HydrophobicContact CG-CB 4.08Å; Y206-K234 HydrophobicContact CD2-CD 4.03Å; Y206-K234 HydrophobicContact CE2-CD 3.87Å; T230-K234 HydrophobicContact CG2-CD 4.26Å; T230-K234 WeakPolarHBondContact O-CB 3.22Å; T230-K234 PolarHBondContact O-N 3.12Å; L231-K234 PolarHBondContact O-N 3.13Å; K234-N236 VanDerWaalsContact C-N 3.34Å; K234-N236 PolarHBondContact O-N 2.89Å; K234-Q237 WeakPolarHBondContact O-CB 3.44Å; K234-Q237 PolarHBondContact O-N 3.3Å; K234-L238 PolarHBondContact O-N 3.34Å
235	L	95.1	Very high	90.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-65.1	-39.8	175.8	-168.6	76.6	0	0	0	111.1	L150 V153 I157 L173 V176 L203 L231 Q237 L238 S239	L150-L235 HydrophobicContact CD1-CD1 4.15Å; L150-L235 HydrophobicContact CD1-CD2 3.91Å; L150-L235 HydrophobicContact CD1-CG 3.8Å; V153-L235 HydrophobicContact CB-CD2 4.31Å; V153-L235 HydrophobicContact CG1-CD1 4.33Å; V153-L235 HydrophobicContact CG1-CD2 3.79Å; I157-L235 HydrophobicContact CD1-CD2 3.87Å; L173-L235 HydrophobicContact CD1-CD1 4.17Å; V176-L235 HydrophobicContact CG1-CD1 4.22Å; L203-L235 HydrophobicContact CD1-CD1 4.47Å; L203-L235 HydrophobicContact CD2-CB 4.45Å; L231-L235 WeakPolarHBondContact O-CB 3.5Å; L231-L235 PolarHBondContact O-N 3.42Å; L235-Q237 VanDerWaalsContact C-N 3.33Å; L235-L238 WeakPolarHBondContact O-CB 3.45Å; L235-L238 PolarHBondContact O-N 2.94Å; L235-S239 WeakPolarHBondContact O-CB 3.3Å; L235-S239 PolarHBondContact O-N 2.61Å
236	N	93.7	Very high	89.8	Confident	72 Å²	72	51 Å²	51	39%	0.385	26%	0.255	S	S	.	.	H	α-helix	trans	-65.2	-36.9	172.6	-76.5	-49.8	0	0	0	112.1	S232 T233 K234 S239 R240	S232-N236 WeakPolarHBondContact O-CB 3.39Å; S232-N236 PolarHBondContact O-N 3.44Å; S232-N236 PolarHBondContact O-ND2 3.47Å; T233-N236 PolarHBondContact O-N 3.36Å; K234-N236 VanDerWaalsContact C-N 3.34Å; K234-N236 PolarHBondContact O-N 2.89Å; N236-S239 PolarHBondContact O-N 2.96Å; N236-R240 WeakPolarHBondContact O-CG 3.42Å; N236-R240 PolarHBondContact O-N 3.18Å
237	Q	94.1	Very high	88.4	Confident	96 Å²	96	49 Å²	49	45%	0.449	25%	0.249	S	C	.	.	H	α-helix	trans	-64	-43.5	172.2	-175.5	-178.6	-3.3	0	0	111.5	L199 T233 K234 L235 S239 R240 L241	L199-Q237 HydrophobicContact CD2-CB 4.15Å; L199-Q237 HydrophobicContact CD2-CG 4.02Å; T233-Q237 PolarHBondContact O-N 3.2Å; K234-Q237 WeakPolarHBondContact O-CB 3.44Å; K234-Q237 PolarHBondContact O-N 3.3Å; L235-Q237 VanDerWaalsContact C-N 3.33Å; Q237-S239 VanDerWaalsContact C-N 3.33Å; Q237-S239 PolarHBondContact O-N 3.03Å; Q237-R240 PolarHBondContact O-N 3.48Å; Q237-L241 WeakPolarHBondContact O-CG 3.42Å; Q237-L241 PolarHBondContact O-N 3.43Å
238	L	94.2	Very high	86.5	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-60.4	-44.6	175.5	-175.5	65.9	0	0	0	111.1	F146 L177 A180 I196 L199 L203 K234 L235 R240 L241 C242	F146-L238 HydrophobicContact CE2-CD2 3.78Å; F146-L238 HydrophobicContact CE2-CG 3.95Å; F146-L238 HydrophobicContact CZ-CD2 4.37Å; F146-L238 HydrophobicContact CZ-CG 4.2Å; L177-L238 HydrophobicContact CD2-CD2 3.85Å; A180-L238 HydrophobicContact CB-CD1 4.03Å; A180-L238 HydrophobicContact CB-CD2 4.05Å; A180-L238 HydrophobicContact CB-CG 4.28Å; I196-L238 HydrophobicContact CG2-CD1 3.95Å; L199-L238 HydrophobicContact CD2-CB 3.65Å; L199-L238 HydrophobicContact CD2-CD1 4.03Å; L199-L238 HydrophobicContact CD2-CG 4.45Å; L203-L238 HydrophobicContact CD1-CB 4.04Å; L203-L238 HydrophobicContact CD1-CD2 3.64Å; L203-L238 HydrophobicContact CD1-CG 4.38Å; K234-L238 PolarHBondContact O-N 3.34Å; L235-L238 WeakPolarHBondContact O-CB 3.45Å; L235-L238 PolarHBondContact O-N 2.94Å; L238-R240 VanDerWaalsContact C-N 3.35Å; L238-R240 PolarHBondContact O-N 3.02Å; L238-L241 PolarHBondContact O-N 3.11Å; L238-C242 WeakPolarHBondContact O-CB 3.44Å; L238-C242 PolarHBondContact O-N 2.72Å; L238-C242 PolarHBondContact O-SG 2.96Å
239	S	92.8	Very high	84.4	Confident	24 Å²	24	59.5 Å²	59.5	17%	0.168	29%	0.291	C	S	.	.	H	α-helix	trans	-59.8	-43.4	176.9	179.6	0	0	0	0	112.1	L150 L235 N236 Q237 C242 K243	L150-S239 WeakPolarHBondContact CD2-OG 3.46Å; L235-S239 WeakPolarHBondContact O-CB 3.3Å; L235-S239 PolarHBondContact O-N 2.61Å; N236-S239 PolarHBondContact O-N 2.96Å; Q237-S239 VanDerWaalsContact C-N 3.33Å; Q237-S239 PolarHBondContact O-N 3.03Å; S239-C242 PolarHBondContact O-N 3.45Å; S239-K243 VanDerWaalsContact O-CB 3.24Å; S239-K243 WeakPolarHBondContact O-CB 3.29Å; S239-K243 PolarHBondContact O-N 2.83Å
240	R	90.6	Very high	81.5	Confident	177 Å²	177	59.3 Å²	59.3	67%	0.668	29%	0.29	S	S	*	.	H	α-helix	trans	-62.2	-49.2	173.9	-71.9	177.7	-167.4	165.1	3.7	111.8	N236 Q237 L238 C242 K243 D244	N236-R240 WeakPolarHBondContact O-CG 3.42Å; N236-R240 PolarHBondContact O-N 3.18Å; Q237-R240 PolarHBondContact O-N 3.48Å; L238-R240 VanDerWaalsContact C-N 3.35Å; L238-R240 PolarHBondContact O-N 3.02Å; R240-C242 VanDerWaalsContact C-N 3.35Å; R240-C242 PolarHBondContact O-N 3.22Å; R240-K243 CarbonylContact O-C 3.56Å; R240-K243 WeakPolarHBondContact O-CA 3.43Å; R240-K243 WeakPolarHBondContact O-CB 3.07Å; R240-K243 PolarHBondContact O-N 3.17Å; R240-K243 VanDerWaalsContact O-N 3.11Å; R240-D244 VanDerWaalsContact O-CG 3.23Å; R240-D244 PolarHBondContact O-N 3.48Å
241	L	88.6	Confident	78.3	Confident	27 Å²	27	64.1 Å²	64.1	14%	0.141	32%	0.32	C	S	.	.	H	α-helix	trans	-61	-42	178.7	-72.2	174.8	0	0	0	112.5	A195 I196 L199 Q237 L238 K243 D244 L245	A195-L241 HydrophobicContact CB-CD1 4.35Å; I196-L241 HydrophobicContact CD1-CB 4.28Å; I196-L241 HydrophobicContact CG1-CB 3.84Å; I196-L241 HydrophobicContact CG1-CD1 4.32Å; L199-L241 HydrophobicContact CD2-CD1 4.15Å; Q237-L241 WeakPolarHBondContact O-CG 3.42Å; Q237-L241 PolarHBondContact O-N 3.43Å; L238-L241 PolarHBondContact O-N 3.11Å; L241-K243 VanDerWaalsContact C-N 3.32Å; L241-D244 PolarHBondContact O-N 3.14Å; L241-L245 WeakPolarHBondContact O-CB 3.21Å; L241-L245 PolarHBondContact O-N 3.38Å
242	C	87.5	Confident	75.3	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-66.4	-36.3	175.8	-65.8	0	0	0	0	111.5	K143 F146 L183 L238 S239 R240 S246	K143-C242 HydrophobicContact CD-CB 4.15Å; F146-C242 HydrophobicContact CE1-CB 4.38Å; F146-C242 HydrophobicContact CZ-CB 4.44Å; L183-C242 HydrophobicContact CD1-CB 4.4Å; L238-C242 WeakPolarHBondContact O-CB 3.44Å; L238-C242 PolarHBondContact O-N 2.72Å; L238-C242 PolarHBondContact O-SG 2.96Å; S239-C242 PolarHBondContact O-N 3.45Å; R240-C242 VanDerWaalsContact C-N 3.35Å; R240-C242 PolarHBondContact O-N 3.22Å; C242-S246 WeakPolarHBondContact O-CB 3.04Å; C242-S246 PolarHBondContact O-N 3.06Å; C242-S246 VanDerWaalsContact O-N 3.14Å
243	K	84.3	Confident	72	Confident	114 Å²	114	69.6 Å²	69.6	50%	0.496	38%	0.381	S	S	.	.	H	α-helix	trans	-66.3	-44.5	174.1	-173.4	175.8	176.2	177.4	0	111	S239 R240 L241 S246 L247	S239-K243 VanDerWaalsContact O-CB 3.24Å; S239-K243 WeakPolarHBondContact O-CB 3.29Å; S239-K243 PolarHBondContact O-N 2.83Å; R240-K243 CarbonylContact O-C 3.56Å; R240-K243 WeakPolarHBondContact O-CA 3.43Å; R240-K243 WeakPolarHBondContact O-CB 3.07Å; R240-K243 PolarHBondContact O-N 3.17Å; R240-K243 VanDerWaalsContact O-N 3.11Å; L241-K243 VanDerWaalsContact C-N 3.32Å; K243-S246 CarbonylContact O-C 3.26Å; K243-S246 PolarHBondContact O-N 3.27Å; K243-L247 HydrophobicContact CD-CD1 4.16Å; K243-L247 VanDerWaalsContact CE-CD1 3.48Å; K243-L247 HydrophobicContact CG-CD1 3.63Å; K243-L247 HydrophobicContact CG-CG 4.07Å; K243-L247 WeakPolarHBondContact O-CB 3.35Å; K243-L247 VanDerWaalsContact O-CG 3.31Å; K243-L247 WeakPolarHBondContact O-CG 2.66Å; K243-L247 PolarHBondContact O-N 2.87Å
244	D	78	Confident	68.7	Low	81 Å²	81	68.2 Å²	68.2	43%	0.433	38%	0.384	S	S	.	.	H	α-helix	trans	-67	-36.3	177.7	-64.9	-15.9	0	0	0	112	R240 L241 S246 L247 R248	R240-D244 VanDerWaalsContact O-CG 3.23Å; R240-D244 PolarHBondContact O-N 3.48Å; L241-D244 PolarHBondContact O-N 3.14Å; D244-S246 PolarHBondContact O-N 3.42Å; D244-L247 PolarHBondContact O-N 3.47Å; D244-R248 PolarHBondContact O-N 3.27Å
245	L	77	Confident	65.5	Low	9 Å²	9	72.8 Å²	72.8	5%	0.047	42%	0.415	C	S	.	.	H	α-helix	trans	-62.5	-36.9	173.3	-141.3	85.3	0	0	0	111.3	L183 N187 N192 I196 L241	L183-L245 HydrophobicContact CD2-CB 3.97Å; L183-L245 HydrophobicContact CD2-CD2 3.47Å; L183-L245 VanDerWaalsContact CD2-CD2 3.47Å; L183-L245 HydrophobicContact CD2-CG 4.27Å; L183-L245 WeakPolarHBondContact O-CD2 3.41Å; N187-L245 HydrophobicContact CB-CD2 4.04Å; N192-L245 HydrophobicContact CB-CD1 3.31Å; I196-L245 HydrophobicContact CD1-CB 4.36Å; I196-L245 HydrophobicContact CD1-CD1 3.93Å; I196-L245 HydrophobicContact CD1-CD2 3.99Å; I196-L245 HydrophobicContact CD1-CG 4.33Å; L241-L245 WeakPolarHBondContact O-CB 3.21Å; L241-L245 PolarHBondContact O-N 3.38Å
246	S	70.7	Confident	62.3	Low	16 Å²	16	75.8 Å²	75.8	11%	0.112	45%	0.446	C	S	.	.	H	α-helix	trans	-86.6	-20.1	-178.8	-161.4	0	0	0	0	113.8	C242 K243 D244	C242-S246 WeakPolarHBondContact O-CB 3.04Å; C242-S246 PolarHBondContact O-N 3.06Å; C242-S246 VanDerWaalsContact O-N 3.14Å; K243-S246 CarbonylContact O-C 3.26Å; K243-S246 PolarHBondContact O-N 3.27Å; D244-S246 PolarHBondContact O-N 3.42Å
247	L	60.7	Low	59.4	Low	90 Å²	90	79 Å²	79	47%	0.471	46%	0.463	S	S	.	.			trans	-101.1	4.6	-179.4	-78.2	-176.2	0	0	0	113.6	K243 D244 D249 N250	K243-L247 HydrophobicContact CD-CD1 4.16Å; K243-L247 VanDerWaalsContact CE-CD1 3.48Å; K243-L247 HydrophobicContact CG-CD1 3.63Å; K243-L247 HydrophobicContact CG-CG 4.07Å; K243-L247 WeakPolarHBondContact O-CB 3.35Å; K243-L247 VanDerWaalsContact O-CG 3.31Å; K243-L247 WeakPolarHBondContact O-CG 2.66Å; K243-L247 PolarHBondContact O-N 2.87Å; D244-L247 PolarHBondContact O-N 3.47Å; L247-D249 PolarHBondContact O-N 2.97Å; L247-N250 PolarHBondContact O-N 3.42Å
248	R	53.7	Low	56.6	Low	172 Å²	172	82 Å²	82	65%	0.649	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	12.6	-175.6	-137.4	177.7	160.7	-155.5	-9.9	114.5	D244	D244-R248 PolarHBondContact O-N 3.27Å
249	D	45.7	Very low	53.8	Low	76 Å²	76	87.8 Å²	87.8	41%	0.406	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-33.4	158.4	-75.6	-16.7	0	0	0	113.8	L247 C263	L247-D249 PolarHBondContact O-N 2.97Å; D249-C263 PolarHBondContact OD1-SG 2.88Å
250	N	32.4	Very low	51.1	Low	106 Å²	106	92.7 Å²	92.7	57%	0.567	52%	0.524	S	S	*	.	S	Bend	trans	-130.9	-11.9	-161.5	-84.8	-25.9	0	0	0	121.4	L247	L247-N250 PolarHBondContact O-N 3.42Å
251	T	28.1	Very low	48.7	Very low	130 Å²	130	87 Å²	87	80%	0.798	51%	0.505	S	S	*	.			trans	-146.7	99.5	-176.6	57.2	0	0	0	0	114
252	G	29.7	Very low	46.5	Very low	55 Å²	55	89.3 Å²	89.3	57%	0.567	52%	0.52	S	S	*	.			trans	178.1	88.3	169.5	0	0	0	0	0	112.7	G254	G252-G254 PolarHBondContact O-N 3.07Å
253	G	25.4	Very low	44.3	Very low	89 Å²	89	92.3 Å²	92.3	92%	0.918	54%	0.541	S	S	*	.			trans	-57.5	126.1	175.5	0	0	0	0	0	112.3
254	G	25.6	Very low	42.6	Very low	62 Å²	62	87.3 Å²	87.3	64%	0.639	52%	0.519	S	S	*	.			trans	166.3	84.3	177.5	0	0	0	0	0	112.5	G252	G252-G254 PolarHBondContact O-N 3.07Å
255	V	27.5	Very low	41.3	Very low	133 Å²	133	84.6 Å²	84.6	81%	0.806	51%	0.506	S	S	*	.			trans	67.8	82.5	161.5	-163.4	0	0	0	0	117	D257	V255-D257 PolarHBondContact O-N 3.05Å
256	G	27.3	Very low	40.1	Very low	63 Å²	63	85.7 Å²	85.7	65%	0.649	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn		76.7	-56.2	117.1	0	0	0	0	0	119.6
257	D	32.9	Very low	39.7	Very low	139 Å²	139	86.6 Å²	86.6	74%	0.743	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.7	-1.6	-155.6	-69.5	-38.1	0	0	0	115.7	V255 H261	V255-D257 PolarHBondContact O-N 3.05Å; D257-H261 PolarHBondContact O-NE2 2.86Å
258	Q	36.4	Very low	39.9	Very low	159 Å²	159	84.1 Å²	84.1	74%	0.743	50%	0.498	S	S	*	.	S	Bend	trans	-112.2	1	179.8	-70.6	-178.2	2.2	0	0	114.3	H260	Q258-H260 PolarHBondContact O-N 3.36Å
259	Q	33.9	Very low	40.7	Very low	121 Å²	121	78.2 Å²	78.2	57%	0.565	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-16.8	-164.6	-146.2	148.1	25.2	0	0	114
260	H	37.2	Very low	42	Very low	127 Å²	127	75.6 Å²	75.6	59%	0.588	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-5	179.8	-77.6	-67.3	0	0	0	114.9	Q258	Q258-H260 PolarHBondContact O-N 3.36Å
261	H	39.6	Very low	43.8	Very low	59 Å²	59	72.9 Å²	72.9	27%	0.273	45%	0.45	S	S	.	.	S	Bend	trans	-89.1	-14.7	-171.4	-52.1	-34.1	0	0	0	114.1	D257	D257-H261 PolarHBondContact O-NE2 2.86Å
262	T	41.9	Very low	46	Very low	74 Å²	74	67.4 Å²	67.4	45%	0.454	42%	0.416	S	S	.	.	S	Bend	trans	-88.6	-27.3	-171.5	48.1	0	0	0	0	114.3	N264 R268	T262-N264 VanDerWaalsContact C-N 3.33Å; T262-R268 PolarHBondContact O-NE 2.91Å; T262-R268 PolarHBondContact O-NH2 3.28Å
263	C	42.6	Very low	48.5	Very low	63 Å²	63	65.1 Å²	65.1	43%	0.426	39%	0.391	S	S	.	.	S	Bend	trans	-86.6	-4.7	-177.4	-46.9	0	0	0	0	113.7	D249 P265	D249-C263 PolarHBondContact OD1-SG 2.88Å; C263-P265 WeakPolarHBondContact O-CD 3.43Å
264	N	48.3	Very low	51.2	Low	9 Å²	9	63.2 Å²	63.2	5%	0.048	36%	0.358	C	S	.	.			trans	-106.4	111.4	-173.7	-176.4	-15.1	0	0	0	110.6	T262 L266 F267 Q928	T262-N264 VanDerWaalsContact C-N 3.33Å; N264-L266 PolarHBondContact O-N 3.34Å; N264-L266 WeakPolarHBondContact OD1-CB 3.35Å; N264-L266 PolarHBondContact OD1-N 3.18Å; N264-F267 HydrophobicContact CB-CD2 3.77Å; N264-F267 HydrophobicContact CB-CE2 4.41Å; N264-F267 WeakPolarHBondContact ND2-CD2 3.46Å; N264-F267 WeakPolarHBondContact ND2-CE2 3.27Å; N264-F267 PolarHBondContact O-N 2.98Å; N264-Q928 PolarHBondContact ND2-NE2 3.47Å; N264-Q928 PolarHBondContact OD1-NE2 3.07Å; N264-Q928 VanDerWaalsContact OD1-NE2 3.11Å; N264-Q928 PolarHBondContact OD1-OE1 2.76Å
265	P	50.4	Low	53.6	Low	24 Å²	24	61.1 Å²	61.1	16%	0.156	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-54.9	-27.5	179.3	7.9	-19.4	0	0	0	114.1	F132 D133 C263 F267 R268	F132-P265 HydrophobicContact CB-CB 4.32Å; F132-P265 WeakPolarHBondContact O-CB 3.32Å; D133-P265 HydrophobicContact CB-CB 3.69Å; D133-P265 HydrophobicContact CB-CG 4.05Å; C263-P265 WeakPolarHBondContact O-CD 3.43Å; P265-F267 PolarHBondContact O-N 3.46Å; P265-R268 PolarHBondContact O-N 2.6Å
266	L	52.2	Low	56.2	Low	33 Å²	33	56.1 Å²	56.1	17%	0.173	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-60.8	-26.2	177.6	-147.5	91.7	0	0	0	112.7	N264 L291 A787	N264-L266 PolarHBondContact O-N 3.34Å; N264-L266 WeakPolarHBondContact OD1-CB 3.35Å; N264-L266 PolarHBondContact OD1-N 3.18Å; L266-L291 HydrophobicContact CD2-CD1 3.95Å; L266-L291 HydrophobicContact CD2-CD2 3.87Å; L266-L291 HydrophobicContact CD2-CG 4.27Å; L266-L291 HydrophobicContact CG-CD1 4.22Å; L266-L291 HydrophobicContact CG-CD2 4.12Å; L266-L291 WeakPolarHBondContact O-CD2 3.5Å; L266-A787 HydrophobicContact CD2-CB 4.41Å
267	F	61.9	Low	59	Low	35 Å²	35	53.1 Å²	53.1	15%	0.154	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-101.3	5	-177.5	-66.8	-89.2	0	0	0	113.8	N264 P265 P290 L291 V294	N264-F267 HydrophobicContact CB-CD2 3.77Å; N264-F267 HydrophobicContact CB-CE2 4.41Å; N264-F267 WeakPolarHBondContact ND2-CD2 3.46Å; N264-F267 WeakPolarHBondContact ND2-CE2 3.27Å; N264-F267 PolarHBondContact O-N 2.98Å; P265-F267 PolarHBondContact O-N 3.46Å; F267-P290 HydrophobicContact CE1-CB 4.16Å; F267-P290 WeakPolarHBondContact CE1-O 3.46Å; F267-P290 HydrophobicContact CZ-CB 4.21Å; F267-L291 HydrophobicContact CD1-CD2 3.72Å; F267-L291 HydrophobicContact CE1-CD2 3.76Å; F267-L291 HydrophobicContact CG-CD2 4.15Å; F267-L291 HydrophobicContact CZ-CD2 4.21Å; F267-V294 HydrophobicContact CB-CG2 4.3Å; F267-V294 WeakPolarHBondContact O-CG2 3.35Å
268	R	64.7	Low	61.2	Low	38 Å²	38	50.6 Å²	50.6	14%	0.143	26%	0.263	C	S	.	.	S	Bend	trans	-95.6	149.9	177.6	-60.5	-146.7	-166.5	156.1	-3.5	111.5	D133 L136 T262 P265 Q279	D133-R268 WeakPolarHBondContact OD1-CD 3.34Å; D133-R268 IonicContact OD1-CZ 2.77Å; D133-R268 IonicContact OD1-NE 2.75Å; D133-R268 PolarHBondContact OD1-NE 3.34Å; D133-R268 IonicContact OD1-NH1 3.13Å; D133-R268 PolarHBondContact OD1-NH1 3.04Å; D133-R268 IonicContact OD1-NH2 2.84Å; D133-R268 IonicContact OD2-CZ 3.34Å; D133-R268 IonicContact OD2-NE 2.76Å; D133-R268 PolarHBondContact OD2-NE 3.37Å; D133-R268 IonicContact OD2-NH1 3.89Å; D133-R268 PolarHBondContact OD2-NH1 3.06Å; D133-R268 IonicContact OD2-NH2 3.49Å; D133-R268 PolarHBondContact OD2-NH2 3.14Å; D133-R268 VanDerWaalsContact OD2-NH2 3.16Å; L136-R268 VanDerWaalsContact CB-NH1 3.29Å; T262-R268 PolarHBondContact O-NE 2.91Å; T262-R268 PolarHBondContact O-NH2 3.28Å; P265-R268 PolarHBondContact O-N 2.6Å; R268-Q279 PolarHBondContact O-NE2 3Å
269	L	71.9	Confident	63.1	Low	48 Å²	48	45 Å²	45	25%	0.251	24%	0.236	S	C	.	.	P	Polyproline II helix	trans	-74.5	131.1	177.3	-174.4	70.1	0	0	0	109.6	K276 E297 A298	L269-K276 HydrophobicContact CD1-CG 4.17Å; L269-K276 HydrophobicContact CG-CG 4.4Å; L269-E297 HydrophobicContact CD1-CB 4.36Å; L269-E297 HydrophobicContact CD1-CG 4.32Å; L269-E297 HydrophobicContact CD2-CG 4.11Å; L269-A298 HydrophobicContact CD1-CB 3.77Å
270	A	72.1	Confident	65.6	Low	20 Å²	20	39.2 Å²	39.2	17%	0.165	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-64.3	148.5	179.2	0	0	0	0	0	112.3	K276 Q279	A270-K276 HydrophobicContact CB-CG 4.21Å; A270-K276 WeakPolarHBondContact O-CE 3.49Å; A270-K276 WeakPolarHBondContact O-CG 3.29Å; A270-Q279 HydrophobicContact CB-CG 4.46Å
271	R	71.1	Confident	67.9	Low	50 Å²	50	34.2 Å²	34.2	19%	0.189	19%	0.186	C	C	.	.	S	Bend	trans	-76.1	-32.2	-179.6	-69.1	177.8	77.2	-162.9	-3.8	113.6	D134 D135 D457	D134-R271 HydrophobicContact CB-CG 4.03Å; D135-R271 WeakPolarHBondContact OD1-CG 3.42Å; R271-D457 IonicContact CZ-OD1 3.36Å; R271-D457 IonicContact CZ-OD2 3.29Å; R271-D457 IonicContact NH1-OD1 2.86Å; R271-D457 PolarHBondContact NH1-OD1 3.42Å; R271-D457 VanDerWaalsContact NH1-OD1 3.13Å; R271-D457 IonicContact NH1-OD2 2.85Å; R271-D457 PolarHBondContact NH1-OD2 2.98Å; R271-D457 IonicContact NH2-OD1 3.19Å; R271-D457 PolarHBondContact NH2-OD1 3.48Å; R271-D457 IonicContact NH2-OD2 3.29Å
272	T	73.5	Confident	69.7	Low	14 Å²	14	35.4 Å²	35.4	9%	0.086	19%	0.188	C	C	.	.	S	Bend	trans	-94.8	153.9	-179.7	62.7	0	0	0	0	111.7	E274 G275 K276 A447 L450	T272-E274 VanDerWaalsContact C-N 3.28Å; T272-E274 PolarHBondContact O-N 3.08Å; T272-G275 PolarHBondContact O-N 2.94Å; T272-G275 PolarHBondContact OG1-N 3.28Å; T272-K276 VanDerWaalsContact O-CG 3.3Å; T272-K276 WeakPolarHBondContact O-CG 3.42Å; T272-K276 PolarHBondContact O-N 3.04Å; T272-A447 CarbonylContact C-O 3.6Å; T272-A447 WeakPolarHBondContact CA-O 3.5Å; T272-L450 WeakPolarHBondContact CG2-O 3.41Å
273	L	82.5	Confident	71.7	Confident	7 Å²	7	32 Å²	32	4%	0.037	17%	0.167	C	C	.	.	H	α-helix	trans	-65	-35.1	175.2	-67.4	171.4	0	0	0	111.6	K276 L277 L302 I309 W382 L385 A447 T448	L273-K276 HydrophobicContact CD2-CD 4.31Å; L273-K276 PolarHBondContact O-N 3.17Å; L273-L277 PolarHBondContact O-N 2.67Å; L273-L302 HydrophobicContact CD2-CB 4.48Å; L273-L302 HydrophobicContact CD2-CG 4.41Å; L273-L302 WeakPolarHBondContact O-CD1 3.46Å; L273-I309 HydrophobicContact CD1-CD1 3.42Å; L273-I309 VanDerWaalsContact CD1-CD1 3.42Å; L273-W382 HydrophobicContact CB-CZ3 4Å; L273-L385 HydrophobicContact CD1-CD1 4.24Å; L273-A447 PolarHBondContact N-O 3.1Å; L273-T448 HydrophobicContact CD1-CG2 3.89Å
274	E	81.4	Confident	73.7	Confident	49 Å²	49	29.2 Å²	29.2	23%	0.229	15%	0.148	C	C	.	.	H	α-helix	trans	-61.7	-47.6	171.8	-171.2	173	-152.5	0	0	111.9	T272 K276 L277 V278 W382 T448	T272-E274 VanDerWaalsContact C-N 3.28Å; T272-E274 PolarHBondContact O-N 3.08Å; E274-K276 VanDerWaalsContact C-N 3.28Å; E274-K276 PolarHBondContact O-N 3.32Å; E274-L277 WeakPolarHBondContact O-CA 3.33Å; E274-L277 VanDerWaalsContact O-CB 3.29Å; E274-L277 WeakPolarHBondContact O-CB 3.47Å; E274-L277 PolarHBondContact O-N 3.4Å; E274-V278 WeakPolarHBondContact O-CG2 3.43Å; E274-V278 PolarHBondContact O-N 3.08Å; E274-W382 HydrophobicContact CB-CH2 3.54Å; E274-W382 HydrophobicContact CB-CZ2 3.89Å; E274-W382 HydrophobicContact CB-CZ3 4.24Å; E274-W382 HydrophobicContact CG-CH2 4.13Å; E274-W382 HydrophobicContact CG-CZ2 3.93Å; E274-T448 WeakPolarHBondContact CB-O 3.19Å; E274-T448 PolarHBondContact N-O 3.47Å
275	G	76.2	Confident	75.2	Confident	18 Å²	18	31.1 Å²	31.1	19%	0.186	17%	0.165	C	C	.	.	H	α-helix	trans	-60.9	-39.4	177	0	0	0	0	0	111.9	T272 V278 Q279	T272-G275 PolarHBondContact O-N 2.94Å; T272-G275 PolarHBondContact OG1-N 3.28Å; G275-V278 PolarHBondContact O-N 2.84Å; G275-Q279 WeakPolarHBondContact O-CG 3.37Å; G275-Q279 PolarHBondContact O-N 3.33Å
276	K	82.5	Confident	76.5	Confident	29 Å²	29	33.4 Å²	33.4	13%	0.126	18%	0.176	C	C	.	.	H	α-helix	trans	-64.7	-39.1	174	-69	169.3	-171.9	-178.6	0	111.5	L269 A270 T272 L273 E274 V278 Q279 A280 A298 S301 L302	L269-K276 HydrophobicContact CD1-CG 4.17Å; L269-K276 HydrophobicContact CG-CG 4.4Å; A270-K276 HydrophobicContact CB-CG 4.21Å; A270-K276 WeakPolarHBondContact O-CE 3.49Å; A270-K276 WeakPolarHBondContact O-CG 3.29Å; T272-K276 VanDerWaalsContact O-CG 3.3Å; T272-K276 WeakPolarHBondContact O-CG 3.42Å; T272-K276 PolarHBondContact O-N 3.04Å; L273-K276 HydrophobicContact CD2-CD 4.31Å; L273-K276 PolarHBondContact O-N 3.17Å; E274-K276 VanDerWaalsContact C-N 3.28Å; E274-K276 PolarHBondContact O-N 3.32Å; K276-V278 VanDerWaalsContact C-N 3.33Å; K276-V278 PolarHBondContact O-N 2.87Å; K276-Q279 PolarHBondContact O-N 3.4Å; K276-A280 VanDerWaalsContact O-CB 3.29Å; K276-A280 WeakPolarHBondContact O-CB 3.46Å; K276-A280 PolarHBondContact O-N 2.87Å; K276-A298 HydrophobicContact CB-CB 4.22Å; K276-A298 WeakPolarHBondContact O-CB 3.43Å; K276-S301 WeakPolarHBondContact CE-OG 3.4Å; K276-S301 PolarHBondContact NZ-OG 3.19Å; K276-L302 HydrophobicContact CB-CB 4.3Å; K276-L302 HydrophobicContact CB-CD1 4.47Å
277	L	85.2	Confident	78	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.3	-46.1	173.9	179.2	65.2	0	0	0	110.7	L273 E274 A280 Q281 L302 L378 W382 V981	L273-L277 PolarHBondContact O-N 2.67Å; E274-L277 WeakPolarHBondContact O-CA 3.33Å; E274-L277 VanDerWaalsContact O-CB 3.29Å; E274-L277 WeakPolarHBondContact O-CB 3.47Å; E274-L277 PolarHBondContact O-N 3.4Å; L277-A280 PolarHBondContact O-N 3.04Å; L277-Q281 HydrophobicContact CD1-CG 4.24Å; L277-Q281 HydrophobicContact CG-CG 4.41Å; L277-Q281 WeakPolarHBondContact O-CB 3.48Å; L277-Q281 VanDerWaalsContact O-CG 3.25Å; L277-Q281 WeakPolarHBondContact O-CG 3.43Å; L277-Q281 PolarHBondContact O-N 3.26Å; L277-L302 HydrophobicContact CB-CD1 3.64Å; L277-L302 HydrophobicContact CD1-CD1 4.12Å; L277-L302 HydrophobicContact CG-CD1 4.48Å; L277-L378 HydrophobicContact CD1-CB 3.73Å; L277-L378 HydrophobicContact CD1-CD1 4.36Å; L277-L378 HydrophobicContact CD1-CD2 4.47Å; L277-L378 HydrophobicContact CD1-CG 4.42Å; L277-W382 HydrophobicContact CD2-CB 3.8Å; L277-W382 HydrophobicContact CD2-CD2 3.74Å; L277-W382 HydrophobicContact CD2-CE3 4.32Å; L277-W382 HydrophobicContact CD2-CG 3.46Å; L277-W382 VanDerWaalsContact CD2-CG 3.46Å; L277-V981 HydrophobicContact CD2-CG1 3.72Å; L277-V981 HydrophobicContact CG-CG1 4.43Å
278	V	79.1	Confident	79.1	Confident	86 Å²	86	35.2 Å²	35.2	52%	0.521	18%	0.181	S	C	.	.	H	α-helix	trans	-61.9	-45.8	178	173.9	0	0	0	0	111.1	E274 G275 K276 A280 Q281 R282	E274-V278 WeakPolarHBondContact O-CG2 3.43Å; E274-V278 PolarHBondContact O-N 3.08Å; G275-V278 PolarHBondContact O-N 2.84Å; K276-V278 VanDerWaalsContact C-N 3.33Å; K276-V278 PolarHBondContact O-N 2.87Å; V278-A280 PolarHBondContact O-N 3.41Å; V278-Q281 PolarHBondContact O-N 2.99Å; V278-R282 WeakPolarHBondContact O-CB 3.26Å; V278-R282 PolarHBondContact O-N 3.39Å
279	Q	76.8	Confident	79.5	Confident	41 Å²	41	33.9 Å²	33.9	19%	0.192	18%	0.179	C	C	.	.	H	α-helix	trans	-61.6	-42.3	176.6	-72.6	-179.7	-19.4	0	0	112.4	R268 A270 G275 K276 R282 W283 A298	R268-Q279 PolarHBondContact O-NE2 3Å; A270-Q279 HydrophobicContact CB-CG 4.46Å; G275-Q279 WeakPolarHBondContact O-CG 3.37Å; G275-Q279 PolarHBondContact O-N 3.33Å; K276-Q279 PolarHBondContact O-N 3.4Å; Q279-R282 PolarHBondContact O-N 2.9Å; Q279-W283 PolarHBondContact O-N 3.45Å; Q279-W283 VanDerWaalsContact O-N 3.09Å; Q279-A298 HydrophobicContact CB-CB 3.89Å
280	A	86.7	Confident	79.3	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.6	-51.3	174.7	0	0	0	0	0	111.2	K276 L277 V278 R282 W283 L284 A298 C299 L378	K276-A280 VanDerWaalsContact O-CB 3.29Å; K276-A280 WeakPolarHBondContact O-CB 3.46Å; K276-A280 PolarHBondContact O-N 2.87Å; L277-A280 PolarHBondContact O-N 3.04Å; V278-A280 PolarHBondContact O-N 3.41Å; A280-R282 VanDerWaalsContact C-N 3.27Å; A280-R282 PolarHBondContact O-N 3.48Å; A280-W283 WeakPolarHBondContact O-CB 3.42Å; A280-W283 PolarHBondContact O-N 2.87Å; A280-W283 VanDerWaalsContact O-N 3.1Å; A280-L284 VanDerWaalsContact O-CG 3.28Å; A280-L284 WeakPolarHBondContact O-CG 3.4Å; A280-L284 PolarHBondContact O-N 3.48Å; A280-A298 HydrophobicContact CB-CB 4.21Å; A280-C299 VanDerWaalsContact CB-SG 3.59Å; A280-L378 HydrophobicContact CB-CD1 3.77Å
281	Q	84.6	Confident	79.3	Confident	22 Å²	22	33.7 Å²	33.7	10%	0.103	18%	0.177	C	C	.	.	H	α-helix	trans	-60.3	-37.4	178.8	-68.8	-69.4	-9.4	0	0	112.2	L277 V278 L284 A285 S375	L277-Q281 HydrophobicContact CD1-CG 4.24Å; L277-Q281 HydrophobicContact CG-CG 4.41Å; L277-Q281 WeakPolarHBondContact O-CB 3.48Å; L277-Q281 VanDerWaalsContact O-CG 3.25Å; L277-Q281 WeakPolarHBondContact O-CG 3.43Å; L277-Q281 PolarHBondContact O-N 3.26Å; V278-Q281 PolarHBondContact O-N 2.99Å; Q281-L284 PolarHBondContact O-N 3.37Å; Q281-A285 PolarHBondContact O-N 3.25Å; Q281-S375 PolarHBondContact NE2-O 3.48Å; Q281-S375 PolarHBondContact OE1-OG 2.94Å
282	R	78.1	Confident	79.8	Confident	83 Å²	83	34.4 Å²	34.4	31%	0.313	18%	0.18	S	C	.	.	H	α-helix	trans	-62.8	-41.4	175.4	-174	172.5	-179.8	175.4	-4.1	112.1	V278 Q279 A280 A285 D286 L291	V278-R282 WeakPolarHBondContact O-CB 3.26Å; V278-R282 PolarHBondContact O-N 3.39Å; Q279-R282 PolarHBondContact O-N 2.9Å; A280-R282 VanDerWaalsContact C-N 3.27Å; A280-R282 PolarHBondContact O-N 3.48Å; R282-A285 PolarHBondContact O-N 3Å; R282-D286 PolarHBondContact O-N 3.26Å; R282-L291 HydrophobicContact CG-CD1 4.37Å
283	W	83.1	Confident	80.2	Confident	2 Å²	2	38.7 Å²	38.7	1%	0.008	20%	0.199	C	C	.	.	H	α-helix	trans	-66.3	-40.3	172.6	167.5	49	0	0	0	112.4	Q279 A280 A285 D286 P287 G295 L296 L351 F352	Q279-W283 PolarHBondContact O-N 3.45Å; Q279-W283 VanDerWaalsContact O-N 3.09Å; A280-W283 WeakPolarHBondContact O-CB 3.42Å; A280-W283 PolarHBondContact O-N 2.87Å; A280-W283 VanDerWaalsContact O-N 3.1Å; W283-A285 PolarHBondContact O-N 3.34Å; W283-D286 CarbonylContact O-C 3.58Å; W283-D286 PolarHBondContact O-N 2.6Å; W283-D286 VanDerWaalsContact O-O 3.13Å; W283-P287 PolarHBondContact NE1-O 3.17Å; W283-P287 VanDerWaalsContact NE1-O 3.11Å; W283-P287 VanDerWaalsContact O-CA 3.27Å; W283-P287 WeakPolarHBondContact O-CA 3.41Å; W283-G295 VanDerWaalsContact CE3-C 3.44Å; W283-L296 HydrophobicContact CH2-CB 4.3Å; W283-L296 HydrophobicContact CH2-CD1 4.03Å; W283-L296 HydrophobicContact CZ3-CB 4.41Å; W283-L296 HydrophobicContact CZ3-CD1 4.37Å; W283-L351 HydrophobicContact CH2-CB 4.43Å; W283-L351 HydrophobicContact CH2-CD2 4.11Å; W283-L351 HydrophobicContact CH2-CG 4.4Å; W283-L351 HydrophobicContact CZ2-CD2 4.06Å; W283-L351 HydrophobicContact CZ2-CG 4.13Å; W283-F352 HydrophobicContact CH2-CB 4.46Å; W283-F352 HydrophobicContact CZ2-CB 4.16Å; W283-F352 HydrophobicContact CZ2-CD2 4.23Å
284	L	86.3	Confident	80	Confident	5 Å²	5	39.2 Å²	39.2	3%	0.026	20%	0.203	C	C	.	.	H	α-helix	trans	-65.2	-25.5	178.8	-62.3	171.3	0	0	0	112.7	A280 Q281 L351 A371 I374 S375 L378	A280-L284 VanDerWaalsContact O-CG 3.28Å; A280-L284 WeakPolarHBondContact O-CG 3.4Å; A280-L284 PolarHBondContact O-N 3.48Å; Q281-L284 PolarHBondContact O-N 3.37Å; L284-L351 HydrophobicContact CD2-CD2 3.67Å; L284-A371 HydrophobicContact CB-CB 4.31Å; L284-A371 HydrophobicContact CD2-CB 4.23Å; L284-I374 HydrophobicContact CD1-CB 3.98Å; L284-I374 HydrophobicContact CD1-CG2 3.68Å; L284-I374 HydrophobicContact CD2-CB 3.91Å; L284-I374 HydrophobicContact CD2-CD1 3.74Å; L284-I374 HydrophobicContact CD2-CG1 4.46Å; L284-I374 HydrophobicContact CD2-CG2 3.96Å; L284-I374 HydrophobicContact CG-CG2 4.46Å; L284-S375 VanDerWaalsContact CD1-OG 3.23Å; L284-S375 WeakPolarHBondContact CD1-OG 3.47Å; L284-L378 HydrophobicContact CD1-CD1 3.74Å
285	A	78.9	Confident	80.1	Confident	50 Å²	50	37 Å²	37	41%	0.413	19%	0.192	S	C	.	.	H	α-helix	trans	-74.4	-26	172.5	0	0	0	0	0	113.6	Q281 R282 W283	Q281-A285 PolarHBondContact O-N 3.25Å; R282-A285 PolarHBondContact O-N 3Å; W283-A285 PolarHBondContact O-N 3.34Å
286	D	77.6	Confident	80.8	Confident	71 Å²	71	36.6 Å²	36.6	38%	0.38	19%	0.186	S	C	.	.	S	Bend	trans	-141.3	78	174.6	-178.2	12.5	0	0	0	110.9	R282 W283 R288 G289	R282-D286 PolarHBondContact O-N 3.26Å; W283-D286 CarbonylContact O-C 3.58Å; W283-D286 PolarHBondContact O-N 2.6Å; W283-D286 VanDerWaalsContact O-O 3.13Å; D286-R288 PolarHBondContact O-N 3.28Å; D286-G289 PolarHBondContact O-N 3.37Å; D286-G289 PolarHBondContact OD1-N 3.34Å; D286-G289 VanDerWaalsContact OD2-CA 3.28Å; D286-G289 WeakPolarHBondContact OD2-CA 3.4Å
287	P	84.3	Confident	80.9	Confident	14 Å²	14	39.3 Å²	39.3	9%	0.091	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-19.8	-171.2	-27.2	36.3	0	0	0	114.8	W283 L351 A371	W283-P287 PolarHBondContact NE1-O 3.17Å; W283-P287 VanDerWaalsContact NE1-O 3.11Å; W283-P287 VanDerWaalsContact O-CA 3.27Å; W283-P287 WeakPolarHBondContact O-CA 3.41Å; P287-L351 HydrophobicContact CB-CD1 4.14Å; P287-L351 HydrophobicContact CB-CD2 4.3Å; P287-L351 HydrophobicContact CB-CG 4.32Å; P287-L351 HydrophobicContact CG-CD1 4.47Å; P287-L351 HydrophobicContact CG-CD2 4.41Å; P287-A371 HydrophobicContact CG-CB 4.41Å
288	R	83.6	Confident	81	Confident	93 Å²	93	39.3 Å²	39.3	35%	0.351	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-4	-177.7	-64.4	177.1	117.2	-149.3	15.9	112.8	D286 S355 Q357	D286-R288 PolarHBondContact O-N 3.28Å; R288-S355 PolarHBondContact NE-O 3.49Å; R288-Q357 PolarHBondContact NH2-O 2.79Å
289	G	73.8	Confident	81.6	Confident	9 Å²	9	35.2 Å²	35.2	9%	0.093	17%	0.174	C	C	.	.	S	Bend	trans	-66.3	171.1	-179.6	0	0	0	0	0	113.8	D286 L291 R292	D286-G289 PolarHBondContact O-N 3.37Å; D286-G289 PolarHBondContact OD1-N 3.34Å; D286-G289 VanDerWaalsContact OD2-CA 3.28Å; D286-G289 WeakPolarHBondContact OD2-CA 3.4Å; G289-L291 PolarHBondContact O-N 2.97Å; G289-L291 VanDerWaalsContact O-N 3.13Å; G289-R292 WeakPolarHBondContact O-CB 3.4Å; G289-R292 PolarHBondContact O-N 3.3Å
290	P	68.9	Low	82.2	Confident	40 Å²	40	37.4 Å²	37.4	26%	0.26	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-23.8	-175.7	25.5	-34.7	0	0	0	113	F267 R292 P779	F267-P290 HydrophobicContact CE1-CB 4.16Å; F267-P290 WeakPolarHBondContact CE1-O 3.46Å; F267-P290 HydrophobicContact CZ-CB 4.21Å; P290-R292 VanDerWaalsContact C-N 3.29Å; P290-R292 PolarHBondContact O-N 3.49Å; P290-P779 HydrophobicContact CG-CG 4.35Å
291	L	71.3	Confident	82.1	Confident	24 Å²	24	38.4 Å²	38.4	13%	0.126	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	5.5	-177.8	-63.8	179.8	0	0	0	114.6	L266 F267 R282 G289 H293 V294 G295	L266-L291 HydrophobicContact CD2-CD1 3.95Å; L266-L291 HydrophobicContact CD2-CD2 3.87Å; L266-L291 HydrophobicContact CD2-CG 4.27Å; L266-L291 HydrophobicContact CG-CD1 4.22Å; L266-L291 HydrophobicContact CG-CD2 4.12Å; L266-L291 WeakPolarHBondContact O-CD2 3.5Å; F267-L291 HydrophobicContact CD1-CD2 3.72Å; F267-L291 HydrophobicContact CE1-CD2 3.76Å; F267-L291 HydrophobicContact CG-CD2 4.15Å; F267-L291 HydrophobicContact CZ-CD2 4.21Å; R282-L291 HydrophobicContact CG-CD1 4.37Å; G289-L291 PolarHBondContact O-N 2.97Å; G289-L291 VanDerWaalsContact O-N 3.13Å; L291-H293 VanDerWaalsContact C-N 3.27Å; L291-H293 PolarHBondContact O-N 2.92Å; L291-H293 VanDerWaalsContact O-N 3.16Å; L291-V294 PolarHBondContact O-N 3.08Å; L291-G295 PolarHBondContact O-N 2.93Å
292	R	81.1	Confident	82.3	Confident	65 Å²	65	37.4 Å²	37.4	25%	0.245	18%	0.183	C	C	.	.	H	α-helix	trans	-57.6	-33.9	-172.1	65.8	174.7	-169.7	-144.4	-5.6	115.2	G289 P290 L296 F352	G289-R292 WeakPolarHBondContact O-CB 3.4Å; G289-R292 PolarHBondContact O-N 3.3Å; P290-R292 VanDerWaalsContact C-N 3.29Å; P290-R292 PolarHBondContact O-N 3.49Å; R292-L296 WeakPolarHBondContact O-CB 3.12Å; R292-L296 PolarHBondContact O-N 2.97Å; R292-L296 VanDerWaalsContact O-N 3.08Å; R292-F352 HydrophobicContact CB-CE2 4.19Å; R292-F352 HydrophobicContact CG-CE2 3.89Å
293	H	82.3	Confident	82.9	Confident	104 Å²	104	33.4 Å²	33.4	48%	0.481	17%	0.168	S	C	.	.	H	α-helix	trans	-70.3	-43.8	-179.5	-70	-88.1	0	0	0	111.3	L291 L296 E297 F352	L291-H293 VanDerWaalsContact C-N 3.27Å; L291-H293 PolarHBondContact O-N 2.92Å; L291-H293 VanDerWaalsContact O-N 3.16Å; H293-L296 PolarHBondContact O-N 3.13Å; H293-E297 PolarHBondContact O-N 2.92Å; H293-E297 VanDerWaalsContact O-N 3.08Å; H293-F352 AromaticContact CE1-CZ 3.5Å; H293-F352 VanDerWaalsContact CE1-CZ 3.5Å; H293-F352 WeakPolarHBondContact CE1-CZ 3.24Å; H293-F352 AromaticContact ND1-CZ 3.63Å
294	V	78.8	Confident	83.1	Confident	19 Å²	19	39.4 Å²	39.4	12%	0.115	20%	0.196	C	C	.	.	H	α-helix	trans	-68.6	-41.3	178.4	-175.7	0	0	0	0	110.6	F267 L291 L296 E297 A298	F267-V294 HydrophobicContact CB-CG2 4.3Å; F267-V294 WeakPolarHBondContact O-CG2 3.35Å; L291-V294 PolarHBondContact O-N 3.08Å; V294-L296 PolarHBondContact O-N 3.3Å; V294-E297 PolarHBondContact O-N 2.97Å; V294-A298 VanDerWaalsContact O-CB 3.27Å; V294-A298 WeakPolarHBondContact O-CB 3.45Å; V294-A298 PolarHBondContact O-N 3.31Å
295	G	83.6	Confident	83	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-60.2	-42.1	175	0	0	0	0	0	113.4	W283 L291 A298 C299	W283-G295 VanDerWaalsContact CE3-C 3.44Å; L291-G295 PolarHBondContact O-N 2.93Å; G295-A298 PolarHBondContact O-N 3.09Å; G295-C299 PolarHBondContact O-N 2.99Å
296	L	89.4	Confident	83.4	Confident	11 Å²	11	37.8 Å²	37.8	6%	0.058	19%	0.186	C	C	.	.	H	α-helix	trans	-63.2	-46.7	175.1	177.9	63.5	0	0	0	111.6	W283 R292 H293 V294 A298 C299 R300 S348 F352	W283-L296 HydrophobicContact CH2-CB 4.3Å; W283-L296 HydrophobicContact CH2-CD1 4.03Å; W283-L296 HydrophobicContact CZ3-CB 4.41Å; W283-L296 HydrophobicContact CZ3-CD1 4.37Å; R292-L296 WeakPolarHBondContact O-CB 3.12Å; R292-L296 PolarHBondContact O-N 2.97Å; R292-L296 VanDerWaalsContact O-N 3.08Å; H293-L296 PolarHBondContact O-N 3.13Å; V294-L296 PolarHBondContact O-N 3.3Å; L296-A298 VanDerWaalsContact C-N 3.27Å; L296-A298 PolarHBondContact O-N 3.15Å; L296-C299 WeakPolarHBondContact O-CB 3.29Å; L296-C299 PolarHBondContact O-N 3.11Å; L296-R300 PolarHBondContact O-N 2.87Å; L296-R300 VanDerWaalsContact O-N 3.15Å; L296-S348 WeakPolarHBondContact CD1-OG 3.39Å; L296-F352 HydrophobicContact CB-CD2 4.07Å; L296-F352 HydrophobicContact CD1-CB 4.37Å; L296-F352 HydrophobicContact CD2-CB 4.04Å; L296-F352 HydrophobicContact CD2-CD1 4.11Å; L296-F352 HydrophobicContact CD2-CD2 3.72Å; L296-F352 HydrophobicContact CD2-CE2 4.19Å; L296-F352 HydrophobicContact CD2-CG 3.68Å; L296-F352 HydrophobicContact CG-CD2 4.42Å
297	E	86.1	Confident	83.9	Confident	85 Å²	85	36.7 Å²	36.7	40%	0.397	18%	0.176	S	C	.	.	H	α-helix	trans	-65.1	-34.1	178.8	-167.4	57.3	-151.8	0	0	111.6	L269 H293 V294 R300 S301	L269-E297 HydrophobicContact CD1-CB 4.36Å; L269-E297 HydrophobicContact CD1-CG 4.32Å; L269-E297 HydrophobicContact CD2-CG 4.11Å; H293-E297 PolarHBondContact O-N 2.92Å; H293-E297 VanDerWaalsContact O-N 3.08Å; V294-E297 PolarHBondContact O-N 2.97Å; E297-R300 PolarHBondContact O-N 3.34Å; E297-R300 IonicContact OE2-NH1 2.85Å; E297-S301 WeakPolarHBondContact O-CB 3.38Å; E297-S301 PolarHBondContact O-N 3.33Å
298	A	85.9	Confident	83.8	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.6	-43.3	173	0	0	0	0	0	112.5	L269 K276 Q279 A280 V294 G295 L296 L302	L269-A298 HydrophobicContact CD1-CB 3.77Å; K276-A298 HydrophobicContact CB-CB 4.22Å; K276-A298 WeakPolarHBondContact O-CB 3.43Å; Q279-A298 HydrophobicContact CB-CB 3.89Å; A280-A298 HydrophobicContact CB-CB 4.21Å; V294-A298 VanDerWaalsContact O-CB 3.27Å; V294-A298 WeakPolarHBondContact O-CB 3.45Å; V294-A298 PolarHBondContact O-N 3.31Å; G295-A298 PolarHBondContact O-N 3.09Å; L296-A298 VanDerWaalsContact C-N 3.27Å; L296-A298 PolarHBondContact O-N 3.15Å; A298-L302 WeakPolarHBondContact O-CB 3.19Å; A298-L302 PolarHBondContact O-N 3.48Å
299	C	91.6	Very high	83.7	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58	-49.3	172.9	-74.8	0	0	0	0	112.2	A280 G295 L296 A303 V344	A280-C299 VanDerWaalsContact CB-SG 3.59Å; G295-C299 PolarHBondContact O-N 2.99Å; L296-C299 WeakPolarHBondContact O-CB 3.29Å; L296-C299 PolarHBondContact O-N 3.11Å; C299-A303 WeakPolarHBondContact O-CB 3.49Å; C299-A303 PolarHBondContact O-N 2.96Å; C299-V344 HydrophobicContact CB-CG1 3.83Å
300	R	89.6	Confident	84.1	Confident	88 Å²	88	36 Å²	36	33%	0.332	18%	0.183	S	C	.	.	H	α-helix	trans	-64.9	-48.7	-179	-69.7	174.8	177.1	165.3	-6	112	L296 E297 L302 A303 Q304 D349	L296-R300 PolarHBondContact O-N 2.87Å; L296-R300 VanDerWaalsContact O-N 3.15Å; E297-R300 PolarHBondContact O-N 3.34Å; E297-R300 IonicContact OE2-NH1 2.85Å; R300-L302 VanDerWaalsContact C-N 3.32Å; R300-L302 PolarHBondContact O-N 3.46Å; R300-A303 PolarHBondContact O-N 3.04Å; R300-Q304 WeakPolarHBondContact O-CB 3.42Å; R300-Q304 PolarHBondContact O-N 3.27Å; R300-D349 IonicContact CZ-OD1 3.99Å; R300-D349 IonicContact NE-OD1 3.02Å; R300-D349 PolarHBondContact NE-OD1 2.8Å; R300-D349 IonicContact NH2-OD1 3.99Å; R300-D349 PolarHBondContact NH2-OD1 3.29Å; R300-D349 IonicContact NH2-OD2 2.91Å
301	S	85.9	Confident	84.6	Confident	21 Å²	21	40.7 Å²	40.7	15%	0.147	20%	0.203	C	C	.	.	H	α-helix	trans	-66.1	-35.5	-178.2	-166.2	0	0	0	0	111.9	K276 E297 G305	K276-S301 WeakPolarHBondContact CE-OG 3.4Å; K276-S301 PolarHBondContact NZ-OG 3.19Å; E297-S301 WeakPolarHBondContact O-CB 3.38Å; E297-S301 PolarHBondContact O-N 3.33Å; S301-G305 PolarHBondContact O-N 3.38Å
302	L	88.7	Confident	84.5	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-65.8	-47.1	173	-176.1	152.4	0	0	0	111.5	L273 K276 L277 A298 R300 Q304 G305 A306 L378 I381	L273-L302 HydrophobicContact CD2-CB 4.48Å; L273-L302 HydrophobicContact CD2-CG 4.41Å; L273-L302 WeakPolarHBondContact O-CD1 3.46Å; K276-L302 HydrophobicContact CB-CB 4.3Å; K276-L302 HydrophobicContact CB-CD1 4.47Å; L277-L302 HydrophobicContact CB-CD1 3.64Å; L277-L302 HydrophobicContact CD1-CD1 4.12Å; L277-L302 HydrophobicContact CG-CD1 4.48Å; A298-L302 WeakPolarHBondContact O-CB 3.19Å; A298-L302 PolarHBondContact O-N 3.48Å; R300-L302 VanDerWaalsContact C-N 3.32Å; R300-L302 PolarHBondContact O-N 3.46Å; L302-Q304 VanDerWaalsContact C-N 3.35Å; L302-Q304 PolarHBondContact O-N 3.01Å; L302-G305 PolarHBondContact O-N 3.3Å; L302-A306 WeakPolarHBondContact O-CB 3.27Å; L302-A306 PolarHBondContact O-N 3.33Å; L302-L378 HydrophobicContact CD1-CD2 4.37Å; L302-L378 HydrophobicContact CD2-CD2 3.79Å; L302-I381 HydrophobicContact CD2-CG2 3.85Å
303	A	90.9	Very high	83.8	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.4	-42.9	177.8	0	0	0	0	0	112.1	C299 R300 A306 R307 C341 E345	C299-A303 WeakPolarHBondContact O-CB 3.49Å; C299-A303 PolarHBondContact O-N 2.96Å; R300-A303 PolarHBondContact O-N 3.04Å; A303-A306 PolarHBondContact O-N 3.01Å; A303-R307 PolarHBondContact O-N 3.07Å; A303-R307 VanDerWaalsContact O-N 3.13Å; A303-C341 HydrophobicContact CB-CB 3.98Å; A303-E345 HydrophobicContact CB-CG 3.84Å
304	Q	87.3	Confident	82.7	Confident	128 Å²	128	40.4 Å²	40.4	60%	0.598	22%	0.217	S	C	*	.	H	α-helix	trans	-65.6	-44.3	175.9	-173.2	176.6	8.6	0	0	112.2	R300 L302 A306 R307 S308	R300-Q304 WeakPolarHBondContact O-CB 3.42Å; R300-Q304 PolarHBondContact O-N 3.27Å; L302-Q304 VanDerWaalsContact C-N 3.35Å; L302-Q304 PolarHBondContact O-N 3.01Å; Q304-A306 VanDerWaalsContact C-N 3.35Å; Q304-R307 PolarHBondContact O-N 3.44Å; Q304-S308 PolarHBondContact O-N 3.44Å; Q304-S308 VanDerWaalsContact O-N 3.15Å
305	G	83.4	Confident	81.3	Confident	21 Å²	21	44.6 Å²	44.6	22%	0.216	25%	0.247	C	C	.	.	H	α-helix	trans	-58.4	-47.2	174.9	0	0	0	0	0	111.5	S301 L302 R307 S308 I309	S301-G305 PolarHBondContact O-N 3.38Å; L302-G305 PolarHBondContact O-N 3.3Å; G305-R307 PolarHBondContact O-N 2.94Å; G305-S308 WeakPolarHBondContact O-CB 3.48Å; G305-S308 PolarHBondContact O-N 3.38Å; G305-I309 VanDerWaalsContact O-CG1 3.26Å; G305-I309 WeakPolarHBondContact O-CG1 3.48Å; G305-I309 PolarHBondContact O-N 3.2Å
306	A	87.3	Confident	79.4	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-56.3	-48.1	178.6	0	0	0	0	0	112.6	L302 A303 Q304 S308 I309 I310 I381 L385	L302-A306 WeakPolarHBondContact O-CB 3.27Å; L302-A306 PolarHBondContact O-N 3.33Å; A303-A306 PolarHBondContact O-N 3.01Å; Q304-A306 VanDerWaalsContact C-N 3.35Å; A306-S308 PolarHBondContact O-N 2.63Å; A306-I309 WeakPolarHBondContact O-CB 3.32Å; A306-I309 PolarHBondContact O-N 3.35Å; A306-I310 WeakPolarHBondContact O-CG1 3.29Å; A306-I310 PolarHBondContact O-N 2.89Å; A306-I310 VanDerWaalsContact O-N 3.09Å; A306-I381 HydrophobicContact CB-CG2 3.62Å; A306-L385 HydrophobicContact CB-CD1 3.77Å; A306-L385 HydrophobicContact CB-CD2 4.07Å; A306-L385 HydrophobicContact CB-CG 4.26Å
307	R	87.9	Confident	76.9	Confident	48 Å²	48	53.1 Å²	53.1	18%	0.181	31%	0.306	C	S	.	.	H	α-helix	trans	-61	-41.4	177.6	-73	-173.4	-63.9	-108.9	-3.6	112.8	A303 Q304 G305 I309 I310 M311 C341 E345	A303-R307 PolarHBondContact O-N 3.07Å; A303-R307 VanDerWaalsContact O-N 3.13Å; Q304-R307 PolarHBondContact O-N 3.44Å; G305-R307 PolarHBondContact O-N 2.94Å; R307-I309 PolarHBondContact O-N 2.85Å; R307-I310 PolarHBondContact O-N 3.48Å; R307-M311 WeakPolarHBondContact O-CB 3.28Å; R307-M311 WeakPolarHBondContact O-CG 3.48Å; R307-M311 PolarHBondContact O-N 3.01Å; R307-C341 HydrophobicContact CG-CB 4.1Å; R307-E345 IonicContact CZ-OE1 3.5Å; R307-E345 IonicContact CZ-OE2 3.95Å; R307-E345 VanDerWaalsContact NH1-CD 3.28Å; R307-E345 IonicContact NH1-OE1 2.7Å; R307-E345 PolarHBondContact NH1-OE1 2.94Å; R307-E345 IonicContact NH1-OE2 3.22Å; R307-E345 PolarHBondContact NH1-OE2 3Å; R307-E345 IonicContact NH2-OE1 3.87Å; R307-E345 PolarHBondContact NH2-OE1 3.29Å; R307-E345 IonicContact NH2-OE2 3.86Å; R307-E345 PolarHBondContact NH2-OE2 3Å
308	S	82.5	Confident	74.6	Confident	81 Å²	81	55 Å²	55	57%	0.566	32%	0.323	S	S	*	.	H	α-helix	trans	-59.1	-38.8	177.5	-171.6	0	0	0	0	111.9	Q304 G305 A306 S312	Q304-S308 PolarHBondContact O-N 3.44Å; Q304-S308 VanDerWaalsContact O-N 3.15Å; G305-S308 WeakPolarHBondContact O-CB 3.48Å; G305-S308 PolarHBondContact O-N 3.38Å; A306-S308 PolarHBondContact O-N 2.63Å; S308-S312 PolarHBondContact O-N 3.26Å; S308-S312 VanDerWaalsContact O-N 3.12Å
309	I	80.6	Confident	72	Confident	12 Å²	12	60.2 Å²	60.2	6%	0.062	36%	0.357	C	S	.	.	H	α-helix	trans	-69.6	-47.2	-179	-61.3	171.4	0	0	0	110.5	L273 G305 A306 R307 M311 S312 S313 L385 L444 T448	L273-I309 HydrophobicContact CD1-CD1 3.42Å; L273-I309 VanDerWaalsContact CD1-CD1 3.42Å; G305-I309 VanDerWaalsContact O-CG1 3.26Å; G305-I309 WeakPolarHBondContact O-CG1 3.48Å; G305-I309 PolarHBondContact O-N 3.2Å; A306-I309 WeakPolarHBondContact O-CB 3.32Å; A306-I309 PolarHBondContact O-N 3.35Å; R307-I309 PolarHBondContact O-N 2.85Å; I309-M311 VanDerWaalsContact C-N 3.34Å; I309-M311 PolarHBondContact O-N 3.17Å; I309-S312 PolarHBondContact O-N 3.32Å; I309-S312 PolarHBondContact O-OG 3.17Å; I309-S313 PolarHBondContact O-N 3.49Å; I309-S313 VanDerWaalsContact O-N 3.15Å; I309-S313 PolarHBondContact O-OG 2.85Å; I309-L385 HydrophobicContact CB-CD2 4.04Å; I309-L385 HydrophobicContact CD1-CD2 4Å; I309-L385 HydrophobicContact CG2-CD2 4.06Å; I309-L444 HydrophobicContact CB-CD1 3.93Å; I309-L444 HydrophobicContact CD1-CD1 3.33Å; I309-L444 HydrophobicContact CG1-CD1 3.22Å; I309-L444 HydrophobicContact CG2-CD1 3.53Å; I309-L444 HydrophobicContact CG2-CD2 3.88Å; I309-L444 HydrophobicContact CG2-CG 4.35Å; I309-T448 HydrophobicContact CD1-CG2 3.87Å
310	I	83.3	Confident	69.5	Low	9 Å²	9	65.3 Å²	65.3	5%	0.046	39%	0.385	C	S	.	.	H	α-helix	trans	-60.4	-46.2	179.3	-66.5	165.1	0	0	0	110.2	A306 R307 S312 S313 D314 N334 C337 V338 L388	A306-I310 WeakPolarHBondContact O-CG1 3.29Å; A306-I310 PolarHBondContact O-N 2.89Å; A306-I310 VanDerWaalsContact O-N 3.09Å; R307-I310 PolarHBondContact O-N 3.48Å; I310-S312 VanDerWaalsContact C-N 3.33Å; I310-S312 PolarHBondContact O-N 2.93Å; I310-S313 PolarHBondContact O-N 2.94Å; I310-S313 VanDerWaalsContact O-N 3.17Å; I310-D314 PolarHBondContact O-N 2.92Å; I310-N334 HydrophobicContact CG2-CB 3.74Å; I310-C337 HydrophobicContact CD1-CB 3.84Å; I310-V338 HydrophobicContact CD1-CG2 4.26Å; I310-V338 HydrophobicContact CG2-CG2 4.29Å; I310-L388 HydrophobicContact CG1-CD1 3.95Å
311	M	78.5	Confident	66.8	Low	137 Å²	137	67.6 Å²	67.6	68%	0.675	40%	0.403	S	S	*	.	H	α-helix	trans	-61.6	-38.4	177.5	-73.4	179.7	169.4	0	0	113.1	R307 I309 S313	R307-M311 WeakPolarHBondContact O-CB 3.28Å; R307-M311 WeakPolarHBondContact O-CG 3.48Å; R307-M311 PolarHBondContact O-N 3.01Å; I309-M311 VanDerWaalsContact C-N 3.34Å; I309-M311 PolarHBondContact O-N 3.17Å; M311-S313 VanDerWaalsContact C-N 3.28Å; M311-S313 PolarHBondContact O-N 3.36Å
312	S	69.9	Low	64.6	Low	61 Å²	61	73.1 Å²	73.1	43%	0.427	43%	0.431	S	S	.	.	H	α-helix	trans	-67.1	-31.5	178.2	71.6	0	0	0	0	112.8	S308 I309 I310 S315	S308-S312 PolarHBondContact O-N 3.26Å; S308-S312 VanDerWaalsContact O-N 3.12Å; I309-S312 PolarHBondContact O-N 3.32Å; I309-S312 PolarHBondContact O-OG 3.17Å; I310-S312 VanDerWaalsContact C-N 3.33Å; I310-S312 PolarHBondContact O-N 2.93Å; S312-S315 PolarHBondContact O-OG 2.74Å
313	S	65.8	Low	62.4	Low	29 Å²	29	76.9 Å²	76.9	20%	0.203	45%	0.451	C	S	.	.	H	α-helix	trans	-73.5	-31	-178.6	-57.8	0	0	0	0	112.8	I309 I310 M311 S315	I309-S313 PolarHBondContact O-N 3.49Å; I309-S313 VanDerWaalsContact O-N 3.15Å; I309-S313 PolarHBondContact O-OG 2.85Å; I310-S313 PolarHBondContact O-N 2.94Å; I310-S313 VanDerWaalsContact O-N 3.17Å; M311-S313 VanDerWaalsContact C-N 3.28Å; M311-S313 PolarHBondContact O-N 3.36Å; S313-S315 VanDerWaalsContact C-N 3.3Å; S313-S315 PolarHBondContact O-N 3.47Å
314	D	59.3	Low	60.1	Low	98 Å²	98	82.4 Å²	82.4	52%	0.524	48%	0.481	S	S	.	.	H	α-helix	trans	-77	-15.4	-176.5	-130.5	26.1	0	0	0	113.3	I310 G316	I310-D314 PolarHBondContact O-N 2.92Å; D314-G316 VanDerWaalsContact C-N 3.34Å; D314-G316 PolarHBondContact O-N 3.33Å
315	S	49.7	Very low	58.1	Low	106 Å²	106	82.6 Å²	82.6	74%	0.741	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-4.6	-174.7	66	0	0	0	0	115.3	S312 S313	S312-S315 PolarHBondContact O-OG 2.74Å; S313-S315 VanDerWaalsContact C-N 3.3Å; S313-S315 PolarHBondContact O-N 3.47Å
316	G	43.2	Very low	56.4	Low	59 Å²	59	84.8 Å²	84.8	61%	0.608	50%	0.498	S	S	*	.	S	Bend	trans	-102.7	-13.3	-168.9	0	0	0	0	0	117.3	D314 V318	D314-G316 VanDerWaalsContact C-N 3.34Å; D314-G316 PolarHBondContact O-N 3.33Å; G316-V318 PolarHBondContact O-N 2.86Å
317	D	38.4	Very low	54.8	Low	133 Å²	133	87.8 Å²	87.8	71%	0.711	52%	0.519	S	S	*	.			trans	-90.7	103.5	-175.8	-81.9	-29.1	0	0	0	111.3
318	V	36.9	Very low	53.4	Low	123 Å²	123	88.6 Å²	88.6	75%	0.745	53%	0.529	S	S	*	.			trans	-56.7	129.4	151.8	178.6	0	0	0	0	106.1	G316 D320	G316-V318 PolarHBondContact O-N 2.86Å; V318-D320 PolarHBondContact O-N 3.35Å
319	P	31.5	Very low	52.5	Low	110 Å²	110	91.1 Å²	91.1	71%	0.714	53%	0.532	S	S	*	.			trans	-65.3	97.5	-179.2	25.2	-31.4	0	0	0	109.1	N321	P319-N321 PolarHBondContact O-N 2.89Å
320	D	38.4	Very low	52	Low	108 Å²	108	92.7 Å²	92.7	58%	0.578	54%	0.54	S	S	*	.			trans	-64.7	94.9	160.6	-110	-10.6	0	0	0	105.3	V318 N322 R546	V318-D320 PolarHBondContact O-N 3.35Å; D320-N322 PolarHBondContact O-N 3.48Å; D320-R546 IonicContact OD2-CZ 2.75Å; D320-R546 IonicContact OD2-NE 2.95Å; D320-R546 IonicContact OD2-NH2 2.68Å; D320-R546 PolarHBondContact OD2-NH2 2.94Å
321	N	34.6	Very low	51.7	Low	135 Å²	135	97.5 Å²	97.5	72%	0.722	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	28.1	-168.3	-163.3	21.4	0	0	0	114.6	P319	P319-N321 PolarHBondContact O-N 2.89Å
322	N	38.5	Very low	52	Low	137 Å²	137	97.1 Å²	97.1	73%	0.733	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-146.7	14.2	-172.9	-90.8	-23.2	0	0	0	116.4	D320	D320-N322 PolarHBondContact O-N 3.48Å
323	N	42.3	Very low	52.7	Low	80 Å²	80	96.5 Å²	96.5	43%	0.428	55%	0.551	S	S	.	*			trans	-137	73	168.4	-93.2	-13.4	0	0	0	111.6	N325	N323-N325 PolarHBondContact O-N 3.1Å; N323-N325 VanDerWaalsContact O-N 3.11Å
324	N	42	Very low	53.6	Low	116 Å²	116	95.4 Å²	95.4	62%	0.62	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	10.1	-176	-74.2	-10.7	0	0	0	115.9	T328	N324-T328 PolarHBondContact O-OG1 3.09Å
325	N	45.5	Very low	55	Low	132 Å²	132	95.2 Å²	95.2	71%	0.706	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	-35.4	-178	-76.8	13.1	0	0	0	113.7	N323	N323-N325 PolarHBondContact O-N 3.1Å; N323-N325 VanDerWaalsContact O-N 3.11Å
326	S	47.5	Very low	57	Low	66 Å²	66	92 Å²	92	46%	0.462	52%	0.522	S	S	.	.	H	α-helix	trans	-82.7	-32.9	-178.6	60.9	0	0	0	0	113.2	T328 D330	S326-T328 VanDerWaalsContact C-N 3.29Å; S326-T328 PolarHBondContact O-N 3.44Å; S326-D330 PolarHBondContact O-N 2.93Å
327	S	54.7	Low	59.3	Low	63 Å²	63	89.1 Å²	89.1	44%	0.441	49%	0.493	S	S	.	.	H	α-helix	trans	-69.7	-27.4	178.3	50.8	0	0	0	0	112.7	K331	S327-K331 VanDerWaalsContact O-CB 3.31Å; S327-K331 WeakPolarHBondContact O-CB 3.31Å; S327-K331 PolarHBondContact O-N 3.31Å; S327-K331 VanDerWaalsContact O-N 3.14Å
328	T	58.5	Low	61.9	Low	65 Å²	65	84.6 Å²	84.6	40%	0.399	47%	0.469	S	S	.	.	H	α-helix	trans	-75.5	-44.9	179.3	-13	0	0	0	0	111.6	N324 S326 K331 E332	N324-T328 PolarHBondContact O-OG1 3.09Å; S326-T328 VanDerWaalsContact C-N 3.29Å; S326-T328 PolarHBondContact O-N 3.44Å; T328-K331 PolarHBondContact O-N 3.04Å; T328-E332 WeakPolarHBondContact O-CG 3.37Å; T328-E332 PolarHBondContact O-N 3.47Å
329	E	62.8	Low	64.6	Low	134 Å²	134	85.2 Å²	85.2	63%	0.626	46%	0.464	S	S	*	.	H	α-helix	trans	-63.6	-42.7	175.7	-71.8	-177.6	178.2	0	0	111.8	K331 E332 T333	E329-K331 VanDerWaalsContact C-N 3.29Å; E329-K331 PolarHBondContact O-N 3.06Å; E329-E332 PolarHBondContact O-N 3.04Å; E329-T333 VanDerWaalsContact O-CG2 3.31Å; E329-T333 WeakPolarHBondContact O-CG2 3.35Å; E329-T333 PolarHBondContact O-N 3.46Å; E329-T333 PolarHBondContact O-OG1 3.45Å
330	D	70.3	Confident	67.5	Low	45 Å²	45	80.5 Å²	80.5	24%	0.241	43%	0.434	C	S	.	.	H	α-helix	trans	-64.3	-35.8	176.8	-77.6	-21.3	0	0	0	111.4	S326 T333 N334	S326-D330 PolarHBondContact O-N 2.93Å; D330-T333 WeakPolarHBondContact CA-OG1 3.33Å; D330-T333 PolarHBondContact O-OG1 3.25Å; D330-N334 WeakPolarHBondContact O-CB 3.44Å; D330-N334 PolarHBondContact O-N 3.13Å; D330-N334 PolarHBondContact O-ND2 3.01Å
331	K	78.7	Confident	70.2	Confident	111 Å²	111	75.3 Å²	75.3	48%	0.483	41%	0.407	S	S	.	.	H	α-helix	trans	-69.3	-45.9	175.7	-171.8	169.9	-176.5	166.7	0	112.9	S327 T328 E329 T333 N334 D335	S327-K331 VanDerWaalsContact O-CB 3.31Å; S327-K331 WeakPolarHBondContact O-CB 3.31Å; S327-K331 PolarHBondContact O-N 3.31Å; S327-K331 VanDerWaalsContact O-N 3.14Å; T328-K331 PolarHBondContact O-N 3.04Å; E329-K331 VanDerWaalsContact C-N 3.29Å; E329-K331 PolarHBondContact O-N 3.06Å; K331-T333 VanDerWaalsContact C-N 3.32Å; K331-T333 PolarHBondContact O-N 2.88Å; K331-N334 PolarHBondContact O-N 3.22Å; K331-D335 PolarHBondContact O-N 3.35Å
332	E	82.9	Confident	73	Confident	129 Å²	129	73.3 Å²	73.3	60%	0.603	39%	0.393	S	S	*	.	H	α-helix	trans	-61.6	-40.6	177.3	-73.9	176.9	-171.3	0	0	112	T328 E329 D335 A336	T328-E332 WeakPolarHBondContact O-CG 3.37Å; T328-E332 PolarHBondContact O-N 3.47Å; E329-E332 PolarHBondContact O-N 3.04Å; E332-D335 PolarHBondContact O-N 2.93Å; E332-A336 WeakPolarHBondContact O-CB 3.36Å; E332-A336 PolarHBondContact O-N 3.28Å
333	T	85.1	Confident	75.8	Confident	47 Å²	47	69.8 Å²	69.8	29%	0.288	37%	0.372	S	S	.	.	H	α-helix	trans	-67.2	-38.7	176.4	54.8	0	0	0	0	112.5	E329 D330 K331 C337	E329-T333 VanDerWaalsContact O-CG2 3.31Å; E329-T333 WeakPolarHBondContact O-CG2 3.35Å; E329-T333 PolarHBondContact O-N 3.46Å; E329-T333 PolarHBondContact O-OG1 3.45Å; D330-T333 WeakPolarHBondContact CA-OG1 3.33Å; D330-T333 PolarHBondContact O-OG1 3.25Å; K331-T333 VanDerWaalsContact C-N 3.32Å; K331-T333 PolarHBondContact O-N 2.88Å; T333-C337 WeakPolarHBondContact O-CB 3.37Å; T333-C337 PolarHBondContact O-N 2.71Å
334	N	86.1	Confident	78.3	Confident	7 Å²	7	66 Å²	66	4%	0.037	35%	0.352	C	S	.	.	H	α-helix	trans	-63	-46.7	173.5	-75.2	-14.3	0	0	0	111.6	I310 D330 K331 A336 C337 V338	I310-N334 HydrophobicContact CG2-CB 3.74Å; D330-N334 WeakPolarHBondContact O-CB 3.44Å; D330-N334 PolarHBondContact O-N 3.13Å; D330-N334 PolarHBondContact O-ND2 3.01Å; K331-N334 PolarHBondContact O-N 3.22Å; N334-A336 PolarHBondContact O-N 3.44Å; N334-C337 WeakPolarHBondContact O-CB 3.44Å; N334-C337 PolarHBondContact O-N 2.83Å; N334-C337 VanDerWaalsContact O-N 3.14Å; N334-V338 WeakPolarHBondContact O-CG2 3.45Å; N334-V338 PolarHBondContact O-N 3.39Å
335	D	88.5	Confident	80.7	Confident	94 Å²	94	62.7 Å²	62.7	50%	0.503	33%	0.333	S	S	.	.	H	α-helix	trans	-61.4	-44.9	178.4	-72.3	-20	0	0	0	111.3	K331 E332 C337 V338 E339	K331-D335 PolarHBondContact O-N 3.35Å; E332-D335 PolarHBondContact O-N 2.93Å; D335-C337 VanDerWaalsContact C-N 3.28Å; D335-C337 PolarHBondContact O-N 3.11Å; D335-V338 PolarHBondContact O-N 3.01Å; D335-E339 PolarHBondContact O-N 3.36Å
336	A	91.3	Very high	83.1	Confident	37 Å²	37	63 Å²	63	31%	0.306	32%	0.324	S	S	.	.	H	α-helix	trans	-62.9	-33.6	175.1	0	0	0	0	0	112.7	E332 N334 E339 A340 Y380	E332-A336 WeakPolarHBondContact O-CB 3.36Å; E332-A336 PolarHBondContact O-N 3.28Å; N334-A336 PolarHBondContact O-N 3.44Å; A336-E339 PolarHBondContact O-N 3.48Å; A336-A340 WeakPolarHBondContact O-CB 3.25Å; A336-A340 PolarHBondContact O-N 3.24Å; A336-Y380 HydrophobicContact CB-CE1 4.42Å
337	C	90.9	Very high	85.3	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-70.2	-37.8	175.5	-169.4	0	0	0	0	111.9	I310 T333 N334 D335 A340 C341 Y380 T384	I310-C337 HydrophobicContact CD1-CB 3.84Å; T333-C337 WeakPolarHBondContact O-CB 3.37Å; T333-C337 PolarHBondContact O-N 2.71Å; N334-C337 WeakPolarHBondContact O-CB 3.44Å; N334-C337 PolarHBondContact O-N 2.83Å; N334-C337 VanDerWaalsContact O-N 3.14Å; D335-C337 VanDerWaalsContact C-N 3.28Å; D335-C337 PolarHBondContact O-N 3.11Å; C337-A340 WeakPolarHBondContact O-CB 3.27Å; C337-A340 PolarHBondContact O-N 3.36Å; C337-C341 PolarHBondContact O-N 3.41Å; C337-C341 PolarHBondContact O-SG 3.47Å; C337-Y380 HydrophobicContact CB-CE1 4.19Å; C337-T384 HydrophobicContact CB-CG2 3.91Å
338	V	92.2	Very high	87.2	Confident	37 Å²	37	57.7 Å²	57.7	22%	0.224	29%	0.286	C	S	.	.	H	α-helix	trans	-62.9	-44.1	172.5	175	0	0	0	0	110.7	I310 N334 D335 A340 C341 E342	I310-V338 HydrophobicContact CD1-CG2 4.26Å; I310-V338 HydrophobicContact CG2-CG2 4.29Å; N334-V338 WeakPolarHBondContact O-CG2 3.45Å; N334-V338 PolarHBondContact O-N 3.39Å; D335-V338 PolarHBondContact O-N 3.01Å; V338-A340 VanDerWaalsContact C-N 3.32Å; V338-A340 PolarHBondContact O-N 3.04Å; V338-C341 VanDerWaalsContact O-CB 3.32Å; V338-C341 WeakPolarHBondContact O-CB 3.49Å; V338-C341 PolarHBondContact O-N 3.46Å; V338-C341 VanDerWaalsContact O-N 3.11Å; V338-E342 PolarHBondContact O-N 3.07Å
339	E	93.6	Very high	88.9	Confident	136 Å²	136	57.7 Å²	57.7	64%	0.636	28%	0.284	S	S	*	.	H	α-helix	trans	-60.4	-41.6	174.6	-171.8	-176.6	176.7	0	0	111.7	D335 A336 C341 E342 H343	D335-E339 PolarHBondContact O-N 3.36Å; A336-E339 PolarHBondContact O-N 3.48Å; E339-C341 VanDerWaalsContact C-N 3.31Å; E339-C341 PolarHBondContact O-N 3.19Å; E339-E342 PolarHBondContact O-N 2.9Å; E339-H343 WeakPolarHBondContact O-CB 3.47Å; E339-H343 PolarHBondContact O-N 3.11Å
340	A	93.5	Very high	90.4	Very high	11 Å²	11	59.2 Å²	59.2	9%	0.091	28%	0.284	C	S	.	.	H	α-helix	trans	-61.6	-37.9	174.7	0	0	0	0	0	112.2	A336 C337 V338 H343 V344 Y380 I381	A336-A340 WeakPolarHBondContact O-CB 3.25Å; A336-A340 PolarHBondContact O-N 3.24Å; C337-A340 WeakPolarHBondContact O-CB 3.27Å; C337-A340 PolarHBondContact O-N 3.36Å; V338-A340 VanDerWaalsContact C-N 3.32Å; V338-A340 PolarHBondContact O-N 3.04Å; A340-H343 WeakPolarHBondContact O-CB 3.28Å; A340-H343 PolarHBondContact O-N 3.32Å; A340-V344 WeakPolarHBondContact O-CG2 3.31Å; A340-V344 PolarHBondContact O-N 2.98Å; A340-Y380 HydrophobicContact CB-CD1 3.92Å; A340-Y380 HydrophobicContact CB-CE1 4.42Å; A340-I381 HydrophobicContact CB-CD1 4.14Å; A340-I381 HydrophobicContact CB-CG1 3.81Å
341	C	94.4	Very high	91.5	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62	-46.7	174.8	-66.9	0	0	0	0	111.5	A303 R307 C337 V338 E339 H343 V344 E345 I381	A303-C341 HydrophobicContact CB-CB 3.98Å; R307-C341 HydrophobicContact CG-CB 4.1Å; C337-C341 PolarHBondContact O-N 3.41Å; C337-C341 PolarHBondContact O-SG 3.47Å; V338-C341 VanDerWaalsContact O-CB 3.32Å; V338-C341 WeakPolarHBondContact O-CB 3.49Å; V338-C341 PolarHBondContact O-N 3.46Å; V338-C341 VanDerWaalsContact O-N 3.11Å; E339-C341 VanDerWaalsContact C-N 3.31Å; E339-C341 PolarHBondContact O-N 3.19Å; C341-H343 VanDerWaalsContact C-N 3.28Å; C341-H343 PolarHBondContact O-N 3.38Å; C341-V344 PolarHBondContact O-N 3.46Å; C341-E345 PolarHBondContact O-N 2.92Å; C341-E345 VanDerWaalsContact O-N 3.17Å; C341-I381 HydrophobicContact CB-CD1 4.45Å
342	E	94.9	Very high	92.1	Very high	93 Å²	93	53.7 Å²	53.7	44%	0.435	26%	0.257	S	S	.	.	H	α-helix	trans	-63.6	-35.3	175.6	-64.2	-178.5	178.8	0	0	112.1	V338 E339 R346	V338-E342 PolarHBondContact O-N 3.07Å; E339-E342 PolarHBondContact O-N 2.9Å; E342-R346 WeakPolarHBondContact O-CB 3.31Å; E342-R346 PolarHBondContact O-N 3.11Å; E342-R346 PolarHBondContact O-NH1 3.28Å; E342-R346 PolarHBondContact O-NH2 3.42Å
343	H	95.4	Very high	92.5	Very high	63 Å²	63	50.6 Å²	50.6	29%	0.292	25%	0.25	S	S	.	.	H	α-helix	trans	-61.9	-48.9	173.3	-174.4	88.8	0	0	0	112	E339 A340 C341 E345 R346 V347 S377	E339-H343 WeakPolarHBondContact O-CB 3.47Å; E339-H343 PolarHBondContact O-N 3.11Å; A340-H343 WeakPolarHBondContact O-CB 3.28Å; A340-H343 PolarHBondContact O-N 3.32Å; C341-H343 VanDerWaalsContact C-N 3.28Å; C341-H343 PolarHBondContact O-N 3.38Å; H343-E345 PolarHBondContact O-N 2.77Å; H343-R346 PolarHBondContact O-N 3.45Å; H343-V347 WeakPolarHBondContact O-CB 3.25Å; H343-V347 VanDerWaalsContact O-CG2 3.25Å; H343-V347 WeakPolarHBondContact O-CG2 3.33Å; H343-V347 PolarHBondContact O-N 2.9Å; H343-S377 PolarHBondContact CD2-OG 3.11Å
344	V	95.1	Very high	92.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-55.8	-51.1	178.5	165.8	0	0	0	0	110.7	C299 A340 C341 R346 V347 S348 I374 L378 I381	C299-V344 HydrophobicContact CB-CG1 3.83Å; A340-V344 WeakPolarHBondContact O-CG2 3.31Å; A340-V344 PolarHBondContact O-N 2.98Å; C341-V344 PolarHBondContact O-N 3.46Å; V344-R346 PolarHBondContact O-N 3.24Å; V344-V347 PolarHBondContact O-N 3.1Å; V344-S348 WeakPolarHBondContact O-CB 3.23Å; V344-S348 PolarHBondContact O-N 2.76Å; V344-S348 PolarHBondContact O-OG 3.29Å; V344-I374 HydrophobicContact CG1-CG2 4.28Å; V344-I374 HydrophobicContact CG2-CG2 4.47Å; V344-L378 HydrophobicContact CG1-CD2 3.9Å; V344-L378 HydrophobicContact CG1-CG 4.42Å; V344-L378 HydrophobicContact CG2-CD2 4.03Å; V344-L378 HydrophobicContact CG2-CG 4.1Å; V344-I381 HydrophobicContact CG2-CD1 3.78Å
345	E	93.6	Very high	92.7	Very high	47 Å²	47	49.2 Å²	49.2	22%	0.22	24%	0.241	C	C	.	.	H	α-helix	trans	-60.5	-47.1	-177.5	-69.4	174	147	0	0	112.5	A303 R307 C341 H343 S348 D349	A303-E345 HydrophobicContact CB-CG 3.84Å; R307-E345 IonicContact CZ-OE1 3.5Å; R307-E345 IonicContact CZ-OE2 3.95Å; R307-E345 VanDerWaalsContact NH1-CD 3.28Å; R307-E345 IonicContact NH1-OE1 2.7Å; R307-E345 PolarHBondContact NH1-OE1 2.94Å; R307-E345 IonicContact NH1-OE2 3.22Å; R307-E345 PolarHBondContact NH1-OE2 3Å; R307-E345 IonicContact NH2-OE1 3.87Å; R307-E345 PolarHBondContact NH2-OE1 3.29Å; R307-E345 IonicContact NH2-OE2 3.86Å; R307-E345 PolarHBondContact NH2-OE2 3Å; C341-E345 PolarHBondContact O-N 2.92Å; C341-E345 VanDerWaalsContact O-N 3.17Å; H343-E345 PolarHBondContact O-N 2.77Å; E345-S348 PolarHBondContact O-OG 2.85Å; E345-D349 PolarHBondContact O-N 3.17Å
346	R	94.8	Very high	92.5	Very high	139 Å²	139	48 Å²	48	53%	0.525	24%	0.24	S	C	.	.	H	α-helix	trans	-67.4	-41.1	-177.6	-161.8	-171.1	-47	95	1.2	112.2	E342 H343 V344 R350	E342-R346 WeakPolarHBondContact O-CB 3.31Å; E342-R346 PolarHBondContact O-N 3.11Å; E342-R346 PolarHBondContact O-NH1 3.28Å; E342-R346 PolarHBondContact O-NH2 3.42Å; H343-R346 PolarHBondContact O-N 3.45Å; V344-R346 PolarHBondContact O-N 3.24Å; R346-R350 PolarHBondContact O-N 3.03Å
347	V	95.2	Very high	92.3	Very high	17 Å²	17	51 Å²	51	10%	0.103	25%	0.248	C	C	.	.	H	α-helix	trans	-79.4	-33.7	-176.7	-178.5	0	0	0	0	111	H343 V344 R350 L351 L370 I374	H343-V347 WeakPolarHBondContact O-CB 3.25Å; H343-V347 VanDerWaalsContact O-CG2 3.25Å; H343-V347 WeakPolarHBondContact O-CG2 3.33Å; H343-V347 PolarHBondContact O-N 2.9Å; V344-V347 PolarHBondContact O-N 3.1Å; V347-R350 PolarHBondContact O-N 2.85Å; V347-L351 PolarHBondContact O-N 2.87Å; V347-L370 HydrophobicContact CG1-CB 4.24Å; V347-L370 HydrophobicContact CG1-CD2 3.73Å; V347-I374 HydrophobicContact CB-CD1 4.44Å; V347-I374 HydrophobicContact CB-CG1 3.95Å; V347-I374 HydrophobicContact CG1-CD1 3.92Å; V347-I374 HydrophobicContact CG1-CG1 3.54Å
348	S	94.6	Very high	91.8	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63.6	-41.8	174.4	63.6	0	0	0	0	112.1	L296 V344 E345 R350 L351 F352	L296-S348 WeakPolarHBondContact CD1-OG 3.39Å; V344-S348 WeakPolarHBondContact O-CB 3.23Å; V344-S348 PolarHBondContact O-N 2.76Å; V344-S348 PolarHBondContact O-OG 3.29Å; E345-S348 PolarHBondContact O-OG 2.85Å; S348-R350 VanDerWaalsContact C-N 3.29Å; S348-R350 PolarHBondContact O-N 2.92Å; S348-L351 PolarHBondContact O-N 3.26Å; S348-F352 WeakPolarHBondContact O-CB 3.31Å; S348-F352 PolarHBondContact O-N 3.29Å
349	D	93.1	Very high	91.2	Very high	65 Å²	65	58.8 Å²	58.8	35%	0.348	29%	0.293	S	S	.	.	H	α-helix	trans	-63.1	-38.1	175.7	-73.7	-11.2	0	0	0	111.9	R300 E345 S353	R300-D349 IonicContact CZ-OD1 3.99Å; R300-D349 IonicContact NE-OD1 3.02Å; R300-D349 PolarHBondContact NE-OD1 2.8Å; R300-D349 IonicContact NH2-OD1 3.99Å; R300-D349 PolarHBondContact NH2-OD1 3.29Å; R300-D349 IonicContact NH2-OD2 2.91Å; E345-D349 PolarHBondContact O-N 3.17Å; D349-S353 PolarHBondContact O-N 2.7Å; D349-S353 PolarHBondContact O-OG 3.3Å
350	R	93.6	Very high	90.7	Very high	165 Å²	165	55.5 Å²	55.5	62%	0.623	28%	0.283	S	S	*	.	H	α-helix	trans	-66.9	-44.3	175.1	-172.5	175.9	-179.6	179.8	-1.2	112.1	R346 V347 S348 F352 S353 M354 L370	R346-R350 PolarHBondContact O-N 3.03Å; V347-R350 PolarHBondContact O-N 2.85Å; S348-R350 VanDerWaalsContact C-N 3.29Å; S348-R350 PolarHBondContact O-N 2.92Å; R350-F352 VanDerWaalsContact C-N 3.33Å; R350-S353 PolarHBondContact O-OG 3.32Å; R350-M354 VanDerWaalsContact O-CB 3.31Å; R350-M354 WeakPolarHBondContact O-CB 3.26Å; R350-M354 PolarHBondContact O-N 3.18Å; R350-L370 HydrophobicContact CG-CD1 4.17Å
351	L	93.8	Very high	90.1	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-62.1	-44.2	176.2	177.4	60.3	0	0	0	110.7	W283 L284 P287 V347 S348 M354 S355 Q367 L370 A371 I374	W283-L351 HydrophobicContact CH2-CB 4.43Å; W283-L351 HydrophobicContact CH2-CD2 4.11Å; W283-L351 HydrophobicContact CH2-CG 4.4Å; W283-L351 HydrophobicContact CZ2-CD2 4.06Å; W283-L351 HydrophobicContact CZ2-CG 4.13Å; L284-L351 HydrophobicContact CD2-CD2 3.67Å; P287-L351 HydrophobicContact CB-CD1 4.14Å; P287-L351 HydrophobicContact CB-CD2 4.3Å; P287-L351 HydrophobicContact CB-CG 4.32Å; P287-L351 HydrophobicContact CG-CD1 4.47Å; P287-L351 HydrophobicContact CG-CD2 4.41Å; V347-L351 PolarHBondContact O-N 2.87Å; S348-L351 PolarHBondContact O-N 3.26Å; L351-M354 PolarHBondContact O-N 3.48Å; L351-S355 VanDerWaalsContact O-CB 3.31Å; L351-S355 WeakPolarHBondContact O-CB 3.5Å; L351-S355 PolarHBondContact O-N 3.42Å; L351-Q367 HydrophobicContact CD1-CB 4.01Å; L351-Q367 HydrophobicContact CD1-CG 4.02Å; L351-L370 HydrophobicContact CB-CB 4.36Å; L351-L370 HydrophobicContact CB-CD1 4.41Å; L351-L370 HydrophobicContact CD1-CB 4.22Å; L351-A371 HydrophobicContact CD2-CB 4.07Å; L351-I374 HydrophobicContact CB-CD1 4.07Å; L351-I374 HydrophobicContact CD2-CD1 3.72Å
352	F	91.8	Very high	89.4	Confident	40 Å²	40	65.3 Å²	65.3	18%	0.175	34%	0.339	C	S	.	.	H	α-helix	trans	-60.7	-49.5	179.7	-173.4	-90.2	0	0	0	112	W283 R292 H293 L296 S348 R350 M354 S355 S356	W283-F352 HydrophobicContact CH2-CB 4.46Å; W283-F352 HydrophobicContact CZ2-CB 4.16Å; W283-F352 HydrophobicContact CZ2-CD2 4.23Å; R292-F352 HydrophobicContact CB-CE2 4.19Å; R292-F352 HydrophobicContact CG-CE2 3.89Å; H293-F352 AromaticContact CE1-CZ 3.5Å; H293-F352 VanDerWaalsContact CE1-CZ 3.5Å; H293-F352 WeakPolarHBondContact CE1-CZ 3.24Å; H293-F352 AromaticContact ND1-CZ 3.63Å; L296-F352 HydrophobicContact CB-CD2 4.07Å; L296-F352 HydrophobicContact CD1-CB 4.37Å; L296-F352 HydrophobicContact CD2-CB 4.04Å; L296-F352 HydrophobicContact CD2-CD1 4.11Å; L296-F352 HydrophobicContact CD2-CD2 3.72Å; L296-F352 HydrophobicContact CD2-CE2 4.19Å; L296-F352 HydrophobicContact CD2-CG 3.68Å; L296-F352 HydrophobicContact CG-CD2 4.42Å; S348-F352 WeakPolarHBondContact O-CB 3.31Å; S348-F352 PolarHBondContact O-N 3.29Å; R350-F352 VanDerWaalsContact C-N 3.33Å; F352-M354 VanDerWaalsContact C-N 3.34Å; F352-M354 PolarHBondContact O-N 3.32Å; F352-S355 PolarHBondContact O-N 3.18Å; F352-S355 PolarHBondContact O-OG 3.33Å; F352-S356 PolarHBondContact O-N 3.44Å; F352-S356 PolarHBondContact O-OG 3.27Å
353	S	91	Very high	88.9	Confident	65 Å²	65	62.3 Å²	62.3	46%	0.455	33%	0.326	S	S	.	.	H	α-helix	trans	-62.8	-38.5	177	54.2	0	0	0	0	112.9	D349 R350 S356	D349-S353 PolarHBondContact O-N 2.7Å; D349-S353 PolarHBondContact O-OG 3.3Å; R350-S353 PolarHBondContact O-OG 3.32Å; S353-S356 PolarHBondContact O-N 2.62Å
354	M	89.1	Confident	88.2	Confident	21 Å²	21	64.6 Å²	64.6	10%	0.103	34%	0.337	C	S	.	.	H	α-helix	trans	-71.6	-34.6	177.3	-165.7	163.5	84.2	0	0	112.9	R350 L351 F352 S356 Q357 N366 Q367 L370	R350-M354 VanDerWaalsContact O-CB 3.31Å; R350-M354 WeakPolarHBondContact O-CB 3.26Å; R350-M354 PolarHBondContact O-N 3.18Å; L351-M354 PolarHBondContact O-N 3.48Å; F352-M354 VanDerWaalsContact C-N 3.34Å; F352-M354 PolarHBondContact O-N 3.32Å; M354-S356 PolarHBondContact O-N 3.42Å; M354-Q357 PolarHBondContact O-N 3.42Å; M354-N366 HydrophobicContact CE-CB 3.48Å; M354-N366 VanDerWaalsContact CE-CB 3.48Å; M354-N366 HydrophobicContact SD-CB 4.15Å; M354-Q367 VanDerWaalsContact CE-CA 3.48Å; M354-Q367 HydrophobicContact CE-CB 4.03Å; M354-Q367 HydrophobicContact CE-CG 3.44Å; M354-Q367 VanDerWaalsContact CE-CG 3.44Å; M354-Q367 HydrophobicContact CG-CG 4.3Å; M354-Q367 PolarHBondContact O-NE2 2.75Å; M354-L370 HydrophobicContact CE-CD1 3.56Å; M354-L370 HydrophobicContact CE-CG 4.5Å; M354-L370 HydrophobicContact SD-CD1 4.33Å
355	S	87	Confident	87.8	Confident	3 Å²	3	69 Å²	69	2%	0.021	36%	0.36	C	S	.	.	H	α-helix	trans	-62.2	-27.3	177.3	76.2	0	0	0	0	112.8	R288 L351 F352	R288-S355 PolarHBondContact NE-O 3.49Å; L351-S355 VanDerWaalsContact O-CB 3.31Å; L351-S355 WeakPolarHBondContact O-CB 3.5Å; L351-S355 PolarHBondContact O-N 3.42Å; F352-S355 PolarHBondContact O-N 3.18Å; F352-S355 PolarHBondContact O-OG 3.33Å
356	S	84.4	Confident	87.5	Confident	69 Å²	69	69.8 Å²	69.8	48%	0.483	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-14.1	179.4	-58	0	0	0	0	113.9	F352 S353 M354	F352-S356 PolarHBondContact O-N 3.44Å; F352-S356 PolarHBondContact O-OG 3.27Å; S353-S356 PolarHBondContact O-N 2.62Å; M354-S356 PolarHBondContact O-N 3.42Å
357	Q	85.9	Confident	87.2	Confident	101 Å²	101	63.7 Å²	63.7	47%	0.472	34%	0.343	S	S	.	.	S	Bend	trans	-83.9	156.5	178	-61.7	178.7	8.5	0	0	110.9	R288 M354	R288-Q357 PolarHBondContact NH2-O 2.79Å; M354-Q357 PolarHBondContact O-N 3.42Å
358	P	80.5	Confident	86.8	Confident	108 Å²	108	66.2 Å²	66.2	70%	0.701	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-54.3	147	177.9	-23.9	33.1	0	0	0	113.4	T360 N363	P358-T360 PolarHBondContact O-N 3.2Å; P358-N363 PolarHBondContact O-ND2 3.4Å
359	L	79.2	Confident	86.5	Confident	91 Å²	91	71 Å²	71	48%	0.476	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-74.7	121.6	-176.2	-158.4	69.9	0	0	0	109.6	E364	L359-E364 HydrophobicContact CD1-CB 4.24Å
360	T	83.6	Confident	86.5	Confident	68 Å²	68	69.2 Å²	69.2	42%	0.417	37%	0.37	S	S	.	.			trans	-122.4	154.3	167.3	66.6	0	0	0	0	107.7	P358 E362 N363 E364	P358-T360 PolarHBondContact O-N 3.2Å; T360-E362 PolarHBondContact O-N 3.45Å; T360-N363 PolarHBondContact O-N 2.84Å; T360-N363 WeakPolarHBondContact OG1-CB 3.39Å; T360-N363 PolarHBondContact OG1-N 3.5Å; T360-N363 VanDerWaalsContact OG1-N 3.11Å; T360-N363 PolarHBondContact OG1-ND2 3.3Å; T360-E364 PolarHBondContact O-N 3.43Å
361	A	80.4	Confident	86.3	Confident	74 Å²	74	61.5 Å²	61.5	61%	0.612	34%	0.341	S	S	*	.	H	α-helix	trans	-57.5	-34.8	180	0	0	0	0	0	112.5	I365	A361-I365 WeakPolarHBondContact O-CG1 3.18Å; A361-I365 PolarHBondContact O-N 2.97Å
362	E	81.4	Confident	86.1	Confident	142 Å²	142	62.5 Å²	62.5	66%	0.664	35%	0.346	S	S	*	.	H	α-helix	trans	-71.3	-41.5	175.2	-170	177.6	-178.7	0	0	112	T360 E364 I365 N366	T360-E362 PolarHBondContact O-N 3.45Å; E362-E364 VanDerWaalsContact C-N 3.3Å; E362-E364 PolarHBondContact O-N 3.42Å; E362-I365 PolarHBondContact O-N 2.91Å; E362-N366 WeakPolarHBondContact O-CB 3.31Å; E362-N366 VanDerWaalsContact O-CG 3.27Å; E362-N366 PolarHBondContact O-N 3.49Å; E362-N366 PolarHBondContact O-ND2 2.79Å; E362-N366 VanDerWaalsContact O-ND2 3.14Å
363	N	83.9	Confident	86	Confident	30 Å²	30	62 Å²	62	16%	0.16	35%	0.349	C	S	.	.	H	α-helix	trans	-63.5	-36.4	174.9	-77.3	-6.9	0	0	0	111.9	P358 T360 N366 Q367	P358-N363 PolarHBondContact O-ND2 3.4Å; T360-N363 PolarHBondContact O-N 2.84Å; T360-N363 WeakPolarHBondContact OG1-CB 3.39Å; T360-N363 PolarHBondContact OG1-N 3.5Å; T360-N363 VanDerWaalsContact OG1-N 3.11Å; T360-N363 PolarHBondContact OG1-ND2 3.3Å; N363-N366 PolarHBondContact O-N 2.97Å; N363-Q367 VanDerWaalsContact O-CB 3.31Å; N363-Q367 WeakPolarHBondContact O-CB 3.41Å; N363-Q367 WeakPolarHBondContact O-CG 3.4Å; N363-Q367 PolarHBondContact O-N 3.03Å
364	E	81.1	Confident	86.1	Confident	111 Å²	111	58.9 Å²	58.9	52%	0.519	33%	0.327	S	S	.	.	H	α-helix	trans	-65	-46.7	178.9	-171.3	176.8	-177.7	0	0	111.8	L359 T360 E362 Q367 Q368	L359-E364 HydrophobicContact CD1-CB 4.24Å; T360-E364 PolarHBondContact O-N 3.43Å; E362-E364 VanDerWaalsContact C-N 3.3Å; E362-E364 PolarHBondContact O-N 3.42Å; E364-Q367 PolarHBondContact O-N 2.87Å; E364-Q368 PolarHBondContact O-N 3.39Å
365	I	85.7	Confident	86.1	Confident	93 Å²	93	58.4 Å²	58.4	48%	0.477	33%	0.326	S	S	.	.	H	α-helix	trans	-61.8	-47.7	175.4	-63.9	166.8	0	0	0	110.2	A361 E362 Q367 Q368 D369	A361-I365 WeakPolarHBondContact O-CG1 3.18Å; A361-I365 PolarHBondContact O-N 2.97Å; E362-I365 PolarHBondContact O-N 2.91Å; I365-Q367 VanDerWaalsContact C-N 3.32Å; I365-Q367 PolarHBondContact O-N 3.42Å; I365-Q368 WeakPolarHBondContact O-CB 3.43Å; I365-Q368 PolarHBondContact O-N 2.69Å; I365-D369 PolarHBondContact O-N 3.23Å
366	N	87.7	Confident	86.2	Confident	64 Å²	64	65.3 Å²	65.3	34%	0.342	35%	0.352	S	S	.	.	H	α-helix	trans	-62.4	-37.5	178.8	-72.4	-32.4	0	0	0	112.2	M354 E362 N363 Q368 D369 L370	M354-N366 HydrophobicContact CE-CB 3.48Å; M354-N366 VanDerWaalsContact CE-CB 3.48Å; M354-N366 HydrophobicContact SD-CB 4.15Å; E362-N366 WeakPolarHBondContact O-CB 3.31Å; E362-N366 VanDerWaalsContact O-CG 3.27Å; E362-N366 PolarHBondContact O-N 3.49Å; E362-N366 PolarHBondContact O-ND2 2.79Å; E362-N366 VanDerWaalsContact O-ND2 3.14Å; N363-N366 PolarHBondContact O-N 2.97Å; N366-Q368 VanDerWaalsContact C-N 3.34Å; N366-D369 PolarHBondContact O-N 3.27Å; N366-L370 VanDerWaalsContact O-CG 3.28Å; N366-L370 WeakPolarHBondContact O-CG 3.48Å; N366-L370 PolarHBondContact O-N 2.89Å
367	Q	88.8	Confident	86.6	Confident	11 Å²	11	63.1 Å²	63.1	5%	0.051	34%	0.336	C	S	.	.	H	α-helix	trans	-63.8	-43.6	176.5	-80.6	173.3	14.8	0	0	110.1	L351 M354 N363 E364 I365 L370 A371	L351-Q367 HydrophobicContact CD1-CB 4.01Å; L351-Q367 HydrophobicContact CD1-CG 4.02Å; M354-Q367 VanDerWaalsContact CE-CA 3.48Å; M354-Q367 HydrophobicContact CE-CB 4.03Å; M354-Q367 HydrophobicContact CE-CG 3.44Å; M354-Q367 VanDerWaalsContact CE-CG 3.44Å; M354-Q367 HydrophobicContact CG-CG 4.3Å; M354-Q367 PolarHBondContact O-NE2 2.75Å; N363-Q367 VanDerWaalsContact O-CB 3.31Å; N363-Q367 WeakPolarHBondContact O-CB 3.41Å; N363-Q367 WeakPolarHBondContact O-CG 3.4Å; N363-Q367 PolarHBondContact O-N 3.03Å; E364-Q367 PolarHBondContact O-N 2.87Å; I365-Q367 VanDerWaalsContact C-N 3.32Å; I365-Q367 PolarHBondContact O-N 3.42Å; Q367-L370 PolarHBondContact O-N 2.74Å; Q367-A371 VanDerWaalsContact O-CB 3.3Å; Q367-A371 WeakPolarHBondContact O-CB 3.31Å; Q367-A371 PolarHBondContact O-N 2.62Å
368	Q	85.8	Confident	86.8	Confident	70 Å²	70	58.3 Å²	58.3	33%	0.327	31%	0.314	S	S	.	.	H	α-helix	trans	-64.2	-42.3	177.9	-169.9	61.7	37.1	0	0	112	E364 I365 N366 A371 M372	E364-Q368 PolarHBondContact O-N 3.39Å; I365-Q368 WeakPolarHBondContact O-CB 3.43Å; I365-Q368 PolarHBondContact O-N 2.69Å; N366-Q368 VanDerWaalsContact C-N 3.34Å; Q368-A371 PolarHBondContact O-N 3.02Å; Q368-M372 WeakPolarHBondContact O-CB 3.32Å; Q368-M372 VanDerWaalsContact O-CG 3.24Å; Q368-M372 WeakPolarHBondContact O-CG 3.3Å; Q368-M372 PolarHBondContact O-N 2.87Å
369	D	89.3	Confident	87.2	Confident	100 Å²	100	53.8 Å²	53.8	54%	0.535	29%	0.285	S	S	.	.	H	α-helix	trans	-65.1	-43.2	178.5	-76.3	-19.1	0	0	0	112	I365 N366 M372 A373	I365-D369 PolarHBondContact O-N 3.23Å; N366-D369 PolarHBondContact O-N 3.27Å; D369-M372 PolarHBondContact O-N 3.24Å; D369-A373 WeakPolarHBondContact O-CB 3.19Å; D369-A373 PolarHBondContact O-N 2.9Å
370	L	92.2	Very high	87.7	Confident	28 Å²	28	53.4 Å²	53.4	15%	0.147	28%	0.278	C	S	.	.	H	α-helix	trans	-64.3	-43.5	174.4	-67.2	174.7	0	0	0	111.2	V347 R350 L351 M354 N366 Q367 M372 A373 I374	V347-L370 HydrophobicContact CG1-CB 4.24Å; V347-L370 HydrophobicContact CG1-CD2 3.73Å; R350-L370 HydrophobicContact CG-CD1 4.17Å; L351-L370 HydrophobicContact CB-CB 4.36Å; L351-L370 HydrophobicContact CB-CD1 4.41Å; L351-L370 HydrophobicContact CD1-CB 4.22Å; M354-L370 HydrophobicContact CE-CD1 3.56Å; M354-L370 HydrophobicContact CE-CG 4.5Å; M354-L370 HydrophobicContact SD-CD1 4.33Å; N366-L370 VanDerWaalsContact O-CG 3.28Å; N366-L370 WeakPolarHBondContact O-CG 3.48Å; N366-L370 PolarHBondContact O-N 2.89Å; Q367-L370 PolarHBondContact O-N 2.74Å; L370-M372 VanDerWaalsContact C-N 3.31Å; L370-M372 PolarHBondContact O-N 2.84Å; L370-A373 PolarHBondContact O-N 2.92Å; L370-I374 VanDerWaalsContact O-CG1 3.29Å; L370-I374 WeakPolarHBondContact O-CG1 3.43Å; L370-I374 PolarHBondContact O-N 3.07Å
371	A	90.4	Very high	88	Confident	2 Å²	2	50.2 Å²	50.2	2%	0.017	26%	0.258	C	S	.	.	H	α-helix	trans	-59.6	-44.5	178.3	0	0	0	0	0	111.3	L284 P287 L351 Q367 Q368 A373 I374 S375	L284-A371 HydrophobicContact CB-CB 4.31Å; L284-A371 HydrophobicContact CD2-CB 4.23Å; P287-A371 HydrophobicContact CG-CB 4.41Å; L351-A371 HydrophobicContact CD2-CB 4.07Å; Q367-A371 VanDerWaalsContact O-CB 3.3Å; Q367-A371 WeakPolarHBondContact O-CB 3.31Å; Q367-A371 PolarHBondContact O-N 2.62Å; Q368-A371 PolarHBondContact O-N 3.02Å; A371-A373 PolarHBondContact O-N 3.22Å; A371-I374 PolarHBondContact O-N 3.48Å; A371-S375 PolarHBondContact O-N 3.3Å; A371-S375 PolarHBondContact O-OG 2.96Å
372	M	88	Confident	88.5	Confident	21 Å²	21	47.3 Å²	47.3	10%	0.103	23%	0.232	C	C	.	.	H	α-helix	trans	-63.8	-38.8	175.5	-72.6	-62.8	-64.1	0	0	113.1	Q368 D369 L370 S375 R376 N974 I977	Q368-M372 WeakPolarHBondContact O-CB 3.32Å; Q368-M372 VanDerWaalsContact O-CG 3.24Å; Q368-M372 WeakPolarHBondContact O-CG 3.3Å; Q368-M372 PolarHBondContact O-N 2.87Å; D369-M372 PolarHBondContact O-N 3.24Å; L370-M372 VanDerWaalsContact C-N 3.31Å; L370-M372 PolarHBondContact O-N 2.84Å; M372-S375 PolarHBondContact O-N 3.13Å; M372-R376 WeakPolarHBondContact O-CG 3.35Å; M372-R376 PolarHBondContact O-N 3.15Å; M372-R376 VanDerWaalsContact O-N 3.12Å; M372-N974 PolarHBondContact SD-OD1 2.73Å; M372-I977 HydrophobicContact CE-CD1 3.77Å
373	A	90.4	Very high	88.8	Confident	30 Å²	30	45 Å²	45	25%	0.248	22%	0.221	C	C	.	.	H	α-helix	trans	-63.1	-47	176	0	0	0	0	0	111.2	D369 L370 A371 R376 S377	D369-A373 WeakPolarHBondContact O-CB 3.19Å; D369-A373 PolarHBondContact O-N 2.9Å; L370-A373 PolarHBondContact O-N 2.92Å; A371-A373 PolarHBondContact O-N 3.22Å; A373-R376 PolarHBondContact O-N 3.5Å; A373-S377 PolarHBondContact O-N 3.37Å; A373-S377 VanDerWaalsContact O-N 3.13Å; A373-S377 PolarHBondContact O-OG 3.13Å
374	I	92.5	Very high	89	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-61.4	-47.3	176.6	-59.6	161	0	0	0	110.3	L284 V344 V347 L351 L370 A371 R376 S377 L378	L284-I374 HydrophobicContact CD1-CB 3.98Å; L284-I374 HydrophobicContact CD1-CG2 3.68Å; L284-I374 HydrophobicContact CD2-CB 3.91Å; L284-I374 HydrophobicContact CD2-CD1 3.74Å; L284-I374 HydrophobicContact CD2-CG1 4.46Å; L284-I374 HydrophobicContact CD2-CG2 3.96Å; L284-I374 HydrophobicContact CG-CG2 4.46Å; V344-I374 HydrophobicContact CG1-CG2 4.28Å; V344-I374 HydrophobicContact CG2-CG2 4.47Å; V347-I374 HydrophobicContact CB-CD1 4.44Å; V347-I374 HydrophobicContact CB-CG1 3.95Å; V347-I374 HydrophobicContact CG1-CD1 3.92Å; V347-I374 HydrophobicContact CG1-CG1 3.54Å; L351-I374 HydrophobicContact CB-CD1 4.07Å; L351-I374 HydrophobicContact CD2-CD1 3.72Å; L370-I374 VanDerWaalsContact O-CG1 3.29Å; L370-I374 WeakPolarHBondContact O-CG1 3.43Å; L370-I374 PolarHBondContact O-N 3.07Å; A371-I374 PolarHBondContact O-N 3.48Å; I374-R376 VanDerWaalsContact C-N 3.27Å; I374-R376 PolarHBondContact O-N 2.97Å; I374-S377 PolarHBondContact O-N 3.46Å; I374-L378 HydrophobicContact CG2-CD1 3.83Å; I374-L378 HydrophobicContact CG2-CG 4.07Å; I374-L378 WeakPolarHBondContact O-CB 3.31Å; I374-L378 WeakPolarHBondContact O-CG 2.95Å; I374-L378 PolarHBondContact O-N 2.8Å
375	S	90.2	Very high	89.2	Confident	10 Å²	10	39.1 Å²	39.1	7%	0.07	19%	0.193	C	C	.	.	H	α-helix	trans	-57.3	-38.8	179.9	-74	0	0	0	0	112.8	Q281 L284 A371 M372 A379	Q281-S375 PolarHBondContact NE2-O 3.48Å; Q281-S375 PolarHBondContact OE1-OG 2.94Å; L284-S375 VanDerWaalsContact CD1-OG 3.23Å; L284-S375 WeakPolarHBondContact CD1-OG 3.47Å; A371-S375 PolarHBondContact O-N 3.3Å; A371-S375 PolarHBondContact O-OG 2.96Å; M372-S375 PolarHBondContact O-N 3.13Å; S375-A379 WeakPolarHBondContact O-CB 3.08Å; S375-A379 PolarHBondContact O-N 2.98Å
376	R	89.6	Confident	89.2	Confident	149 Å²	149	37 Å²	37	56%	0.562	18%	0.181	S	C	*	.	H	α-helix	trans	-68	-45.4	176.6	-73.7	174.8	-177.2	163.7	3.5	112.1	M372 A373 I374 A379 Y380 I977	M372-R376 WeakPolarHBondContact O-CG 3.35Å; M372-R376 PolarHBondContact O-N 3.15Å; M372-R376 VanDerWaalsContact O-N 3.12Å; A373-R376 PolarHBondContact O-N 3.5Å; I374-R376 VanDerWaalsContact C-N 3.27Å; I374-R376 PolarHBondContact O-N 2.97Å; R376-A379 PolarHBondContact O-N 2.85Å; R376-Y380 PolarHBondContact O-N 3.21Å; R376-I977 HydrophobicContact CG-CD1 4.34Å
377	S	93	Very high	89.1	Confident	23 Å²	23	39.9 Å²	39.9	16%	0.161	19%	0.191	C	C	.	.	H	α-helix	trans	-64.9	-40.8	178	-61.9	0	0	0	0	111.6	H343 A373 I374 A379 Y380 I381	H343-S377 PolarHBondContact CD2-OG 3.11Å; A373-S377 PolarHBondContact O-N 3.37Å; A373-S377 VanDerWaalsContact O-N 3.13Å; A373-S377 PolarHBondContact O-OG 3.13Å; I374-S377 PolarHBondContact O-N 3.46Å; S377-A379 VanDerWaalsContact C-N 3.35Å; S377-A379 PolarHBondContact O-N 2.68Å; S377-Y380 PolarHBondContact O-N 2.84Å; S377-I381 WeakPolarHBondContact O-CD1 3.48Å; S377-I381 VanDerWaalsContact O-CG1 3.23Å; S377-I381 WeakPolarHBondContact O-CG1 3.47Å; S377-I381 PolarHBondContact O-N 3.4Å
378	L	89.9	Confident	89	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59.8	-43.2	173.3	-75.3	176.3	0	0	0	112.2	L277 A280 L284 L302 V344 I374 I381 W382	L277-L378 HydrophobicContact CD1-CB 3.73Å; L277-L378 HydrophobicContact CD1-CD1 4.36Å; L277-L378 HydrophobicContact CD1-CD2 4.47Å; L277-L378 HydrophobicContact CD1-CG 4.42Å; A280-L378 HydrophobicContact CB-CD1 3.77Å; L284-L378 HydrophobicContact CD1-CD1 3.74Å; L302-L378 HydrophobicContact CD1-CD2 4.37Å; L302-L378 HydrophobicContact CD2-CD2 3.79Å; V344-L378 HydrophobicContact CG1-CD2 3.9Å; V344-L378 HydrophobicContact CG1-CG 4.42Å; V344-L378 HydrophobicContact CG2-CD2 4.03Å; V344-L378 HydrophobicContact CG2-CG 4.1Å; I374-L378 HydrophobicContact CG2-CD1 3.83Å; I374-L378 HydrophobicContact CG2-CG 4.07Å; I374-L378 WeakPolarHBondContact O-CB 3.31Å; I374-L378 WeakPolarHBondContact O-CG 2.95Å; I374-L378 PolarHBondContact O-N 2.8Å; L378-I381 PolarHBondContact O-N 2.75Å; L378-W382 WeakPolarHBondContact O-CB 3.45Å; L378-W382 PolarHBondContact O-N 3.24Å
379	A	87.7	Confident	89	Confident	12 Å²	12	36.7 Å²	36.7	10%	0.099	18%	0.176	C	C	.	.	H	α-helix	trans	-63.2	-42.1	176.7	0	0	0	0	0	112	S375 R376 S377 W382 Q383	S375-A379 WeakPolarHBondContact O-CB 3.08Å; S375-A379 PolarHBondContact O-N 2.98Å; R376-A379 PolarHBondContact O-N 2.85Å; S377-A379 VanDerWaalsContact C-N 3.35Å; S377-A379 PolarHBondContact O-N 2.68Å; A379-W382 PolarHBondContact O-N 3.23Å; A379-Q383 WeakPolarHBondContact O-CG 3.36Å; A379-Q383 PolarHBondContact O-N 3Å
380	Y	90.1	Very high	89.1	Confident	84 Å²	84	32.2 Å²	32.2	33%	0.329	15%	0.153	S	C	.	.	H	α-helix	trans	-63.4	-45.3	175.9	177.7	-101.7	0	0	0	112.5	A336 C337 A340 R376 S377 W382 Q383 T384	A336-Y380 HydrophobicContact CB-CE1 4.42Å; C337-Y380 HydrophobicContact CB-CE1 4.19Å; A340-Y380 HydrophobicContact CB-CD1 3.92Å; A340-Y380 HydrophobicContact CB-CE1 4.42Å; R376-Y380 PolarHBondContact O-N 3.21Å; S377-Y380 PolarHBondContact O-N 2.84Å; Y380-W382 VanDerWaalsContact C-N 3.32Å; Y380-W382 PolarHBondContact O-N 3.39Å; Y380-Q383 PolarHBondContact O-N 3.18Å; Y380-T384 WeakPolarHBondContact O-CB 3.27Å; Y380-T384 PolarHBondContact O-N 2.94Å; Y380-T384 PolarHBondContact O-OG1 3.2Å
381	I	90.8	Very high	88.9	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-58.1	-48.4	175.4	-67.3	161.5	0	0	0	109.6	L302 A306 A340 C341 V344 S377 L378 T384 L385	L302-I381 HydrophobicContact CD2-CG2 3.85Å; A306-I381 HydrophobicContact CB-CG2 3.62Å; A340-I381 HydrophobicContact CB-CD1 4.14Å; A340-I381 HydrophobicContact CB-CG1 3.81Å; C341-I381 HydrophobicContact CB-CD1 4.45Å; V344-I381 HydrophobicContact CG2-CD1 3.78Å; S377-I381 WeakPolarHBondContact O-CD1 3.48Å; S377-I381 VanDerWaalsContact O-CG1 3.23Å; S377-I381 WeakPolarHBondContact O-CG1 3.47Å; S377-I381 PolarHBondContact O-N 3.4Å; L378-I381 PolarHBondContact O-N 2.75Å; I381-T384 PolarHBondContact O-N 2.97Å; I381-L385 HydrophobicContact CG2-CD1 4.06Å; I381-L385 HydrophobicContact CG2-CG 4.34Å; I381-L385 WeakPolarHBondContact O-CG 3.45Å; I381-L385 PolarHBondContact O-N 3.17Å
382	W	89.2	Confident	88.8	Confident	14 Å²	14	35.6 Å²	35.6	5%	0.053	17%	0.165	C	C	.	.	H	α-helix	trans	-60.1	-49	-179	-176.8	-115	0	0	0	112.8	L273 E274 L277 L378 A379 Y380 T384 L385 E386 T448 K449	L273-W382 HydrophobicContact CB-CZ3 4Å; E274-W382 HydrophobicContact CB-CH2 3.54Å; E274-W382 HydrophobicContact CB-CZ2 3.89Å; E274-W382 HydrophobicContact CB-CZ3 4.24Å; E274-W382 HydrophobicContact CG-CH2 4.13Å; E274-W382 HydrophobicContact CG-CZ2 3.93Å; L277-W382 HydrophobicContact CD2-CB 3.8Å; L277-W382 HydrophobicContact CD2-CD2 3.74Å; L277-W382 HydrophobicContact CD2-CE3 4.32Å; L277-W382 HydrophobicContact CD2-CG 3.46Å; L277-W382 VanDerWaalsContact CD2-CG 3.46Å; L378-W382 WeakPolarHBondContact O-CB 3.45Å; L378-W382 PolarHBondContact O-N 3.24Å; A379-W382 PolarHBondContact O-N 3.23Å; Y380-W382 VanDerWaalsContact C-N 3.32Å; Y380-W382 PolarHBondContact O-N 3.39Å; W382-T384 VanDerWaalsContact C-N 3.27Å; W382-T384 PolarHBondContact O-N 3.04Å; W382-L385 PolarHBondContact O-N 3.19Å; W382-E386 PolarHBondContact O-N 3.09Å; W382-T448 WeakPolarHBondContact CH2-O 3.43Å; W382-K449 HydrophobicContact CH2-CB 4.39Å; W382-K449 HydrophobicContact CZ2-CD 4.45Å; W382-K449 HydrophobicContact CZ2-CG 4.5Å
383	Q	87.8	Confident	89	Confident	93 Å²	93	34.6 Å²	34.6	44%	0.435	16%	0.16	S	C	.	.	H	α-helix	trans	-59.4	-38.7	177.2	-73.5	176.2	0.8	0	0	112.3	A379 Y380 K387	A379-Q383 WeakPolarHBondContact O-CG 3.36Å; A379-Q383 PolarHBondContact O-N 3Å; Y380-Q383 PolarHBondContact O-N 3.18Å; Q383-K387 WeakPolarHBondContact O-CB 3.44Å; Q383-K387 PolarHBondContact O-N 3.41Å; Q383-K387 VanDerWaalsContact O-N 3.07Å
384	T	88.4	Confident	89	Confident	15 Å²	15	33.2 Å²	33.2	9%	0.092	15%	0.148	C	C	.	.	H	α-helix	trans	-65.9	-46.2	177.3	-55	0	0	0	0	111	C337 Y380 I381 W382 E386 K387 L388	C337-T384 HydrophobicContact CB-CG2 3.91Å; Y380-T384 WeakPolarHBondContact O-CB 3.27Å; Y380-T384 PolarHBondContact O-N 2.94Å; Y380-T384 PolarHBondContact O-OG1 3.2Å; I381-T384 PolarHBondContact O-N 2.97Å; W382-T384 VanDerWaalsContact C-N 3.27Å; W382-T384 PolarHBondContact O-N 3.04Å; T384-E386 PolarHBondContact O-N 2.99Å; T384-K387 PolarHBondContact O-N 2.95Å; T384-L388 HydrophobicContact CG2-CD1 4.11Å; T384-L388 HydrophobicContact CG2-CG 4.49Å; T384-L388 WeakPolarHBondContact O-CB 3.24Å; T384-L388 VanDerWaalsContact O-CG 3.31Å; T384-L388 WeakPolarHBondContact O-CG 3.36Å; T384-L388 PolarHBondContact O-N 3.39Å
385	L	86.9	Confident	88.9	Confident	2 Å²	2	36 Å²	36	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-62.1	-42.1	177.1	-69.5	178.6	0	0	0	112.4	L273 A306 I309 I381 W382 K387 L388 L389	L273-L385 HydrophobicContact CD1-CD1 4.24Å; A306-L385 HydrophobicContact CB-CD1 3.77Å; A306-L385 HydrophobicContact CB-CD2 4.07Å; A306-L385 HydrophobicContact CB-CG 4.26Å; I309-L385 HydrophobicContact CB-CD2 4.04Å; I309-L385 HydrophobicContact CD1-CD2 4Å; I309-L385 HydrophobicContact CG2-CD2 4.06Å; I381-L385 HydrophobicContact CG2-CD1 4.06Å; I381-L385 HydrophobicContact CG2-CG 4.34Å; I381-L385 WeakPolarHBondContact O-CG 3.45Å; I381-L385 PolarHBondContact O-N 3.17Å; W382-L385 PolarHBondContact O-N 3.19Å; L385-K387 PolarHBondContact O-N 2.94Å; L385-L388 PolarHBondContact O-N 3.04Å; L385-L389 VanDerWaalsContact O-CB 3.28Å; L385-L389 WeakPolarHBondContact O-CB 3.1Å; L385-L389 PolarHBondContact O-N 2.96Å
386	E	85.4	Confident	89	Confident	48 Å²	48	36.9 Å²	36.9	22%	0.224	17%	0.166	C	C	.	.	H	α-helix	trans	-62.6	-43.9	178.3	-175.5	176.5	-167.8	0	0	111.6	W382 T384 T390 K449	W382-E386 PolarHBondContact O-N 3.09Å; T384-E386 PolarHBondContact O-N 2.99Å; E386-T390 VanDerWaalsContact O-CB 3.27Å; E386-T390 WeakPolarHBondContact O-CB 3.39Å; E386-T390 PolarHBondContact O-N 3.16Å; E386-T390 PolarHBondContact O-OG1 3.24Å; E386-K449 IonicContact OE1-NZ 3.98Å; E386-K449 PolarHBondContact OE1-NZ 3.43Å
387	K	85.1	Confident	89.2	Confident	126 Å²	126	29.9 Å²	29.9	55%	0.548	14%	0.14	S	C	.	.	H	α-helix	trans	-62.3	-45.3	175.5	-174.5	-173.1	175.4	-163.3	0	111.4	Q383 T384 L385 T390 R391	Q383-K387 WeakPolarHBondContact O-CB 3.44Å; Q383-K387 PolarHBondContact O-N 3.41Å; Q383-K387 VanDerWaalsContact O-N 3.07Å; T384-K387 PolarHBondContact O-N 2.95Å; L385-K387 PolarHBondContact O-N 2.94Å; K387-T390 PolarHBondContact O-N 2.94Å; K387-R391 WeakPolarHBondContact O-CB 3.38Å; K387-R391 PolarHBondContact O-N 3.11Å
388	L	86.1	Confident	89.2	Confident	10 Å²	10	29.5 Å²	29.5	5%	0.052	14%	0.137	C	C	.	.	H	α-helix	trans	-62.2	-49	178.6	-74.5	172.9	0	0	0	111.6	I310 T384 L385 T390 R391 Q392	I310-L388 HydrophobicContact CG1-CD1 3.95Å; T384-L388 HydrophobicContact CG2-CD1 4.11Å; T384-L388 HydrophobicContact CG2-CG 4.49Å; T384-L388 WeakPolarHBondContact O-CB 3.24Å; T384-L388 VanDerWaalsContact O-CG 3.31Å; T384-L388 WeakPolarHBondContact O-CG 3.36Å; T384-L388 PolarHBondContact O-N 3.39Å; L385-L388 PolarHBondContact O-N 3.04Å; L388-T390 PolarHBondContact O-N 2.63Å; L388-R391 PolarHBondContact O-N 3.13Å; L388-Q392 WeakPolarHBondContact O-CB 3.43Å; L388-Q392 PolarHBondContact O-N 3.36Å
389	L	87.2	Confident	89.4	Confident	3 Å²	3	31.4 Å²	31.4	2%	0.016	15%	0.147	C	C	.	.	H	α-helix	trans	-57.4	-50.4	177	175.6	66.4	0	0	0	111.2	L385 R391 Q392 I393 L444 A445 T448 K449	L385-L389 VanDerWaalsContact O-CB 3.28Å; L385-L389 WeakPolarHBondContact O-CB 3.1Å; L385-L389 PolarHBondContact O-N 2.96Å; L389-R391 VanDerWaalsContact C-N 3.31Å; L389-R391 PolarHBondContact O-N 2.74Å; L389-Q392 PolarHBondContact O-N 3.06Å; L389-I393 HydrophobicContact CD1-CD1 3.62Å; L389-I393 HydrophobicContact CD1-CG1 4.15Å; L389-I393 HydrophobicContact CD2-CD1 4.43Å; L389-I393 HydrophobicContact CG-CD1 3.69Å; L389-I393 HydrophobicContact CG-CG1 4.5Å; L389-I393 WeakPolarHBondContact O-CB 3.42Å; L389-I393 VanDerWaalsContact O-CG1 3.29Å; L389-I393 WeakPolarHBondContact O-CG1 3.29Å; L389-I393 PolarHBondContact O-N 2.98Å; L389-L444 HydrophobicContact CD1-CB 4.44Å; L389-L444 HydrophobicContact CD1-CD2 3.78Å; L389-L444 HydrophobicContact CD1-CG 3.8Å; L389-A445 HydrophobicContact CD1-CB 4.11Å; L389-T448 HydrophobicContact CD2-CG2 4.39Å; L389-T448 WeakPolarHBondContact CD2-OG1 3.34Å; L389-K449 HydrophobicContact CD2-CB 4.4Å
390	T	89.8	Confident	89.7	Confident	6 Å²	6	31 Å²	31	4%	0.037	14%	0.143	C	C	.	.	H	α-helix	trans	-58.1	-44.8	179.8	-61.2	0	0	0	0	111.4	E386 K387 L388 A394 V527 A531 A535	E386-T390 VanDerWaalsContact O-CB 3.27Å; E386-T390 WeakPolarHBondContact O-CB 3.39Å; E386-T390 PolarHBondContact O-N 3.16Å; E386-T390 PolarHBondContact O-OG1 3.24Å; K387-T390 PolarHBondContact O-N 2.94Å; L388-T390 PolarHBondContact O-N 2.63Å; T390-A394 WeakPolarHBondContact O-CB 3.38Å; T390-A394 PolarHBondContact O-N 3.48Å; T390-V527 HydrophobicContact CG2-CG1 3.56Å; T390-V527 WeakPolarHBondContact OG1-CG1 3.46Å; T390-A531 HydrophobicContact CG2-CB 3.97Å; T390-A531 WeakPolarHBondContact CG2-O 3.43Å; T390-A535 HydrophobicContact CG2-CB 4Å
391	R	87.9	Confident	89.9	Confident	63 Å²	63	28.7 Å²	28.7	24%	0.238	14%	0.137	C	C	.	.	H	α-helix	trans	-62.5	-47.6	176.9	-177.8	171.6	65.9	92.3	-12.5	111.4	K387 L388 L389 I393 A394 E395	K387-R391 WeakPolarHBondContact O-CB 3.38Å; K387-R391 PolarHBondContact O-N 3.11Å; L388-R391 PolarHBondContact O-N 3.13Å; L389-R391 VanDerWaalsContact C-N 3.31Å; L389-R391 PolarHBondContact O-N 2.74Å; R391-I393 PolarHBondContact O-N 3.37Å; R391-A394 PolarHBondContact O-N 2.81Å; R391-E395 IonicContact NH1-OE2 2.63Å; R391-E395 WeakPolarHBondContact O-CG 3.16Å; R391-E395 PolarHBondContact O-N 2.71Å
392	Q	88.9	Confident	90.1	Very high	39 Å²	39	29.2 Å²	29.2	18%	0.182	14%	0.143	C	C	.	.	H	α-helix	trans	-63	-44	-178.9	-165.8	175	34	0	0	111.6	L388 L389 E395 V396 T441	L388-Q392 WeakPolarHBondContact O-CB 3.43Å; L388-Q392 PolarHBondContact O-N 3.36Å; L389-Q392 PolarHBondContact O-N 3.06Å; Q392-E395 PolarHBondContact O-N 2.94Å; Q392-V396 HydrophobicContact CG-CG2 4.06Å; Q392-V396 WeakPolarHBondContact O-CB 3.48Å; Q392-V396 WeakPolarHBondContact O-CG2 3.3Å; Q392-V396 PolarHBondContact O-N 3.28Å; Q392-T441 HydrophobicContact CB-CG2 4.33Å; Q392-T441 HydrophobicContact CG-CG2 3.87Å
393	I	91.6	Very high	90.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.2	-47.2	174.8	-68.5	169	0	0	0	110.6	L389 R391 E395 Y397 T441 A445 V523 V527 F532	L389-I393 HydrophobicContact CD1-CD1 3.62Å; L389-I393 HydrophobicContact CD1-CG1 4.15Å; L389-I393 HydrophobicContact CD2-CD1 4.43Å; L389-I393 HydrophobicContact CG-CD1 3.69Å; L389-I393 HydrophobicContact CG-CG1 4.5Å; L389-I393 WeakPolarHBondContact O-CB 3.42Å; L389-I393 VanDerWaalsContact O-CG1 3.29Å; L389-I393 WeakPolarHBondContact O-CG1 3.29Å; L389-I393 PolarHBondContact O-N 2.98Å; R391-I393 PolarHBondContact O-N 3.37Å; I393-E395 PolarHBondContact O-N 3.05Å; I393-Y397 HydrophobicContact CG2-CD2 4.44Å; I393-Y397 WeakPolarHBondContact O-CB 3.48Å; I393-Y397 PolarHBondContact O-N 3.31Å; I393-Y397 VanDerWaalsContact O-N 3.11Å; I393-T441 HydrophobicContact CG1-CG2 3.75Å; I393-A445 HydrophobicContact CD1-CB 4.34Å; I393-V523 HydrophobicContact CB-CG1 4.05Å; I393-V523 HydrophobicContact CD1-CG1 3.3Å; I393-V523 HydrophobicContact CG1-CG1 3.35Å; I393-V523 HydrophobicContact CG2-CG1 3.53Å; I393-V527 HydrophobicContact CD1-CG2 3.28Å; I393-V527 HydrophobicContact CG1-CG2 4.47Å; I393-V527 HydrophobicContact CG2-CG2 4.43Å; I393-F532 HydrophobicContact CG2-CE2 4.24Å
394	A	91.6	Very high	90.8	Very high	1 Å²	1	25 Å²	25	1%	0.008	13%	0.126	C	C	.	.	H	α-helix	trans	-62.1	-26.2	178.4	0	0	0	0	0	112.8	T390 R391 T398 F532 A535 Q536 R569	T390-A394 WeakPolarHBondContact O-CB 3.38Å; T390-A394 PolarHBondContact O-N 3.48Å; R391-A394 PolarHBondContact O-N 2.81Å; A394-T398 PolarHBondContact O-OG1 3.49Å; A394-F532 HydrophobicContact CB-CD2 4.25Å; A394-F532 HydrophobicContact CB-CE2 4.02Å; A394-A535 HydrophobicContact CB-CB 3.74Å; A394-Q536 VanDerWaalsContact CA-NE2 3.35Å; A394-Q536 HydrophobicContact CB-CG 4.48Å; A394-Q536 PolarHBondContact O-NE2 3.42Å; A394-R569 PolarHBondContact O-NH1 2.99Å
395	E	90.2	Very high	91.2	Very high	58 Å²	58	32.6 Å²	32.6	27%	0.271	15%	0.153	S	C	.	.	H	α-helix	trans	-86.7	-57	176.7	-71.3	-179.6	153.7	0	0	112.4	R391 Q392 I393 Y397 T398 R542	R391-E395 IonicContact NH1-OE2 2.63Å; R391-E395 WeakPolarHBondContact O-CG 3.16Å; R391-E395 PolarHBondContact O-N 2.71Å; Q392-E395 PolarHBondContact O-N 2.94Å; I393-E395 PolarHBondContact O-N 3.05Å; E395-Y397 PolarHBondContact O-N 2.69Å; E395-T398 PolarHBondContact O-N 3.04Å; E395-R542 IonicContact OE1-CZ 3.73Å; E395-R542 VanDerWaalsContact OE1-CZ 3.22Å; E395-R542 IonicContact OE1-NH1 3.05Å; E395-R542 PolarHBondContact OE1-NH1 2.87Å; E395-R542 IonicContact OE1-NH2 2.6Å; E395-R542 PolarHBondContact OE1-NH2 3.38Å
396	V	92.7	Very high	91.6	Very high	29 Å²	29	36.8 Å²	36.8	18%	0.176	17%	0.172	C	C	.	.	H	α-helix	trans	-67.4	-38.6	-171.1	176.7	0	0	0	0	111.9	Q392 Q437 L438	Q392-V396 HydrophobicContact CG-CG2 4.06Å; Q392-V396 WeakPolarHBondContact O-CB 3.48Å; Q392-V396 WeakPolarHBondContact O-CG2 3.3Å; Q392-V396 PolarHBondContact O-N 3.28Å; V396-Q437 HydrophobicContact CG1-CB 4.1Å; V396-L438 HydrophobicContact CG1-CD2 3.86Å; V396-L438 HydrophobicContact CG1-CG 4.28Å
397	Y	94.2	Very high	92.1	Very high	1 Å²	1	34.5 Å²	34.5	0%	0.004	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	5.7	-176.9	-75.4	-93	0	0	0	114.6	I393 E395 L400 L438 T441 M519 R520 V523	I393-Y397 HydrophobicContact CG2-CD2 4.44Å; I393-Y397 WeakPolarHBondContact O-CB 3.48Å; I393-Y397 PolarHBondContact O-N 3.31Å; I393-Y397 VanDerWaalsContact O-N 3.11Å; E395-Y397 PolarHBondContact O-N 2.69Å; Y397-L400 HydrophobicContact CD1-CD1 4Å; Y397-L400 HydrophobicContact CE1-CD1 4.28Å; Y397-L438 HydrophobicContact CD1-CD2 3.67Å; Y397-L438 HydrophobicContact CD2-CD2 4.21Å; Y397-L438 HydrophobicContact CE1-CD2 3.47Å; Y397-L438 VanDerWaalsContact CE1-CD2 3.47Å; Y397-L438 HydrophobicContact CE2-CD2 4Å; Y397-L438 HydrophobicContact CG-CD2 4.05Å; Y397-L438 PolarHBondContact OH-O 3.14Å; Y397-L438 VanDerWaalsContact OH-O 3.05Å; Y397-T441 HydrophobicContact CD2-CG2 4.41Å; Y397-T441 HydrophobicContact CE2-CG2 3.98Å; Y397-M519 HydrophobicContact CE1-CG 4.5Å; Y397-M519 VanDerWaalsContact OH-CE 3.24Å; Y397-M519 WeakPolarHBondContact OH-CE 3.17Å; Y397-M519 WeakPolarHBondContact OH-CG 3.36Å; Y397-R520 HydrophobicContact CD1-CB 3.55Å; Y397-R520 HydrophobicContact CD1-CG 3.66Å; Y397-R520 HydrophobicContact CE1-CB 3.86Å; Y397-R520 HydrophobicContact CE1-CG 4.43Å; Y397-R520 HydrophobicContact CG-CG 4.28Å; Y397-V523 HydrophobicContact CD2-CG1 4.33Å; Y397-V523 HydrophobicContact CE2-CG1 4.09Å; Y397-V523 HydrophobicContact CE2-CG2 4.48Å
398	T	92.6	Very high	92.6	Very high	15 Å²	15	29.9 Å²	29.9	9%	0.092	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-44.7	177.1	-75.2	0	0	0	0	112	A394 E395 R568 R569	A394-T398 PolarHBondContact O-OG1 3.49Å; E395-T398 PolarHBondContact O-N 3.04Å; T398-R568 HydrophobicContact CG2-CB 3.82Å; T398-R569 HydrophobicContact CG2-CG 3.81Å
399	D	93.4	Very high	93	Very high	41 Å²	41	33.5 Å²	33.5	22%	0.219	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115	74.6	-179.7	-177.6	33.2	0	0	0	112.1	V401 G402 Q434 R568	D399-V401 PolarHBondContact O-N 3.41Å; D399-G402 VanDerWaalsContact OD1-CA 3.3Å; D399-G402 WeakPolarHBondContact OD1-CA 3Å; D399-G402 PolarHBondContact OD1-N 3.19Å; D399-G402 VanDerWaalsContact OD1-N 3.09Å; D399-G402 WeakPolarHBondContact OD2-CA 3.46Å; D399-Q434 PolarHBondContact O-NE2 3.48Å; D399-R568 VanDerWaalsContact CB-NH1 3.33Å; D399-R568 IonicContact OD1-CZ 2.98Å; D399-R568 IonicContact OD1-NH1 3.78Å; D399-R568 PolarHBondContact OD1-NH1 3.43Å; D399-R568 IonicContact OD2-CZ 2.69Å; D399-R568 IonicContact OD2-NH1 3.24Å; D399-R568 PolarHBondContact OD2-NH1 3.43Å; D399-R568 IonicContact OD2-NH2 2.66Å
400	L	93.8	Very high	93.4	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.016	16%	0.159	C	C	.	.	S	Bend	trans	-65.3	-37.6	-173.2	-170.1	67.2	0	0	0	114.1	Y397 L438 W512 A516 E517	Y397-L400 HydrophobicContact CD1-CD1 4Å; Y397-L400 HydrophobicContact CE1-CD1 4.28Å; L400-L438 HydrophobicContact CD1-CD1 3.91Å; L400-L438 HydrophobicContact CD1-CD2 3.68Å; L400-L438 HydrophobicContact CD1-CG 4.49Å; L400-W512 WeakPolarHBondContact O-CH2 3.36Å; L400-A516 HydrophobicContact CD1-CB 3.97Å; L400-A516 HydrophobicContact CD2-CB 3.92Å; L400-A516 HydrophobicContact CG-CB 4.09Å; L400-E517 HydrophobicContact CD2-CG 3.82Å
401	V	94.7	Very high	93.6	Very high	35 Å²	35	33.4 Å²	33.4	21%	0.212	16%	0.158	C	C	.	.	S	Bend	trans	-113.7	-5.4	-167.7	-170.7	0	0	0	0	112.5	D399 L404 R405 T513	D399-V401 PolarHBondContact O-N 3.41Å; V401-L404 HydrophobicContact CG1-CB 4.28Å; V401-L404 HydrophobicContact CG1-CD2 4.38Å; V401-L404 PolarHBondContact O-N 3.05Å; V401-R405 PolarHBondContact O-N 3.41Å; V401-T513 HydrophobicContact CG2-CG2 4.04Å
402	G	94	Very high	93.7	Very high	11 Å²	11	31.8 Å²	31.8	11%	0.113	16%	0.156	C	C	.	.	H	α-helix	trans	-54.6	-57.6	-175.4	0	0	0	0	0	113.9	D399 L404 R405 Q406	D399-G402 VanDerWaalsContact OD1-CA 3.3Å; D399-G402 WeakPolarHBondContact OD1-CA 3Å; D399-G402 PolarHBondContact OD1-N 3.19Å; D399-G402 VanDerWaalsContact OD1-N 3.09Å; D399-G402 WeakPolarHBondContact OD2-CA 3.46Å; G402-L404 VanDerWaalsContact C-N 3.32Å; G402-L404 PolarHBondContact O-N 2.99Å; G402-R405 WeakPolarHBondContact O-CB 3.49Å; G402-R405 PolarHBondContact O-N 2.69Å; G402-R405 VanDerWaalsContact O-N 3.08Å; G402-Q406 PolarHBondContact O-N 3.24Å
403	P	95.6	Very high	93.8	Very high	20 Å²	20	31.5 Å²	31.5	13%	0.13	16%	0.158	C	C	.	.	H	α-helix	trans	-58.1	-39.4	176.3	-30.3	39.5	0	0	0	113.6	R405 Q406 L407 F431 Q434	P403-R405 VanDerWaalsContact C-N 3.32Å; P403-R405 PolarHBondContact O-N 3.5Å; P403-Q406 PolarHBondContact O-N 3.02Å; P403-L407 PolarHBondContact O-N 3.02Å; P403-F431 HydrophobicContact CB-CB 4.35Å; P403-Q434 HydrophobicContact CG-CB 4.36Å; P403-Q434 VanDerWaalsContact CG-CD 3.47Å; P403-Q434 HydrophobicContact CG-CG 4.48Å
404	L	97.4	Very high	93.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.2	-37.5	174.5	179.7	54.9	0	0	0	112.4	V401 G402 L407 F408 F431 V473 R509 W512	V401-L404 HydrophobicContact CG1-CB 4.28Å; V401-L404 HydrophobicContact CG1-CD2 4.38Å; V401-L404 PolarHBondContact O-N 3.05Å; G402-L404 VanDerWaalsContact C-N 3.32Å; G402-L404 PolarHBondContact O-N 2.99Å; L404-L407 HydrophobicContact CD1-CD2 4.28Å; L404-L407 PolarHBondContact O-N 3.42Å; L404-F408 PolarHBondContact O-N 3.04Å; L404-F431 HydrophobicContact CB-CD2 3.91Å; L404-F431 HydrophobicContact CB-CE2 3.75Å; L404-F431 HydrophobicContact CD1-CD2 4.41Å; L404-F431 HydrophobicContact CD1-CE1 4.48Å; L404-F431 HydrophobicContact CD1-CE2 3.98Å; L404-F431 HydrophobicContact CD1-CZ 4.01Å; L404-F431 HydrophobicContact CD2-CE2 4.34Å; L404-F431 HydrophobicContact CG-CE2 4.24Å; L404-V473 HydrophobicContact CD1-CG1 3.66Å; L404-R509 HydrophobicContact CD1-CG 4.19Å; L404-R509 HydrophobicContact CD2-CG 3.71Å; L404-R509 HydrophobicContact CG-CG 3.93Å; L404-W512 HydrophobicContact CB-CZ3 4.44Å; L404-W512 HydrophobicContact CD2-CD2 4.07Å; L404-W512 HydrophobicContact CD2-CE3 3.3Å; L404-W512 HydrophobicContact CD2-CZ3 3.69Å
405	R	95.9	Very high	92.9	Very high	174 Å²	174	40.3 Å²	40.3	66%	0.657	22%	0.22	S	C	*	.	H	α-helix	trans	-65.6	-40.8	175.3	-170.1	-176.2	-60.7	175.2	0.9	111.4	V401 G402 P403 F408 E409	V401-R405 PolarHBondContact O-N 3.41Å; G402-R405 WeakPolarHBondContact O-CB 3.49Å; G402-R405 PolarHBondContact O-N 2.69Å; G402-R405 VanDerWaalsContact O-N 3.08Å; P403-R405 VanDerWaalsContact C-N 3.32Å; P403-R405 PolarHBondContact O-N 3.5Å; R405-F408 PolarHBondContact O-N 3.17Å; R405-E409 PolarHBondContact O-N 3.32Å
406	Q	95.2	Very high	92.3	Very high	89 Å²	89	40.8 Å²	40.8	42%	0.416	24%	0.24	S	C	.	.	H	α-helix	trans	-65.6	-39.9	176.3	-65	-179.2	17.2	0	0	111.9	G402 P403 F408 E409 S410 K427 E430	G402-Q406 PolarHBondContact O-N 3.24Å; P403-Q406 PolarHBondContact O-N 3.02Å; Q406-F408 VanDerWaalsContact C-N 3.27Å; Q406-F408 PolarHBondContact O-N 3.45Å; Q406-E409 PolarHBondContact O-N 3.17Å; Q406-S410 PolarHBondContact O-N 2.94Å; Q406-S410 PolarHBondContact O-OG 3.2Å; Q406-K427 HydrophobicContact CB-CD 4.07Å; Q406-K427 HydrophobicContact CB-CG 4.41Å; Q406-E430 PolarHBondContact OE1-OE2 3.12Å
407	L	97.2	Very high	91.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60	-39	172	-177.6	68.1	0	0	0	112	P403 L404 S410 A411 Y424 K427 M428 F431 V474 F505	P403-L407 PolarHBondContact O-N 3.02Å; L404-L407 HydrophobicContact CD1-CD2 4.28Å; L404-L407 PolarHBondContact O-N 3.42Å; L407-S410 PolarHBondContact O-OG 3.25Å; L407-A411 PolarHBondContact O-N 2.92Å; L407-Y424 HydrophobicContact CD1-CD2 3.84Å; L407-Y424 HydrophobicContact CD1-CE1 4.41Å; L407-Y424 HydrophobicContact CD1-CE2 3.31Å; L407-Y424 HydrophobicContact CG-CE2 3.92Å; L407-K427 HydrophobicContact CB-CB 4.45Å; L407-K427 HydrophobicContact CD1-CB 4.21Å; L407-M428 HydrophobicContact CD1-CB 4.05Å; L407-F431 HydrophobicContact CD2-CB 4.34Å; L407-F431 HydrophobicContact CD2-CD1 3.76Å; L407-F431 HydrophobicContact CD2-CE1 4.32Å; L407-F431 HydrophobicContact CD2-CG 4.13Å; L407-V474 HydrophobicContact CD2-CG2 3.95Å; L407-F505 HydrophobicContact CG-CZ 4.47Å
408	F	95.5	Very high	91.5	Very high	29 Å²	29	50 Å²	50	13%	0.127	29%	0.288	C	S	.	.	H	α-helix	trans	-68.7	-45	178.5	-168.4	-85.2	0	0	0	112	L404 R405 Q406 S410 A411 S412 F505 L506	L404-F408 PolarHBondContact O-N 3.04Å; R405-F408 PolarHBondContact O-N 3.17Å; Q406-F408 VanDerWaalsContact C-N 3.27Å; Q406-F408 PolarHBondContact O-N 3.45Å; F408-S410 VanDerWaalsContact C-N 3.32Å; F408-S410 PolarHBondContact O-N 2.96Å; F408-A411 PolarHBondContact O-N 2.95Å; F408-S412 PolarHBondContact O-N 3.48Å; F408-F505 HydrophobicContact CB-CE1 4.21Å; F408-F505 HydrophobicContact CB-CZ 4.43Å; F408-F505 AromaticContact CD2-CD1 3.5Å; F408-F505 HydrophobicContact CD2-CD1 3.5Å; F408-F505 VanDerWaalsContact CD2-CD1 3.5Å; F408-F505 AromaticContact CD2-CE1 3.21Å; F408-F505 HydrophobicContact CD2-CE1 3.21Å; F408-F505 HydrophobicContact CD2-CG 4.32Å; F408-F505 AromaticContact CD2-CZ 3.83Å; F408-F505 HydrophobicContact CD2-CZ 3.83Å; F408-F505 AromaticContact CE2-CD1 3.47Å; F408-F505 HydrophobicContact CE2-CD1 3.47Å; F408-F505 VanDerWaalsContact CE2-CD1 3.47Å; F408-F505 AromaticContact CE2-CE1 3.72Å; F408-F505 HydrophobicContact CE2-CE1 3.72Å; F408-F505 HydrophobicContact CE2-CG 4.21Å; F408-F505 AromaticContact CG-CE1 3.96Å; F408-F505 HydrophobicContact CG-CE1 3.96Å; F408-F505 HydrophobicContact CZ-CD1 4.5Å; F408-L506 HydrophobicContact CE1-CD2 4.39Å; F408-L506 HydrophobicContact CE2-CD2 3.48Å; F408-L506 VanDerWaalsContact CE2-CD2 3.48Å; F408-L506 HydrophobicContact CE2-CG 3.93Å; F408-L506 HydrophobicContact CZ-CD2 3.41Å; F408-L506 VanDerWaalsContact CZ-CD2 3.41Å; F408-L506 HydrophobicContact CZ-CG 3.93Å
409	E	94.4	Very high	91.4	Very high	86 Å²	86	50.2 Å²	50.2	40%	0.402	29%	0.289	S	S	.	.	H	α-helix	trans	-62.7	-37.6	178.5	-166.7	69.9	-147.2	0	0	111.8	R405 Q406 A411 S412 P413 S414	R405-E409 PolarHBondContact O-N 3.32Å; Q406-E409 PolarHBondContact O-N 3.17Å; E409-A411 VanDerWaalsContact C-N 3.35Å; E409-S412 CarbonylContact O-C 3.24Å; E409-S412 VanDerWaalsContact O-C 3.24Å; E409-S412 PolarHBondContact O-N 2.9Å; E409-P413 VanDerWaalsContact O-CA 3.26Å; E409-P413 WeakPolarHBondContact O-CA 3.25Å; E409-P413 VanDerWaalsContact O-N 3.12Å; E409-S414 VanDerWaalsContact OE1-CB 3.25Å; E409-S414 WeakPolarHBondContact OE1-CB 3.36Å; E409-S414 PolarHBondContact OE1-N 2.9Å; E409-S414 PolarHBondContact OE1-OG 3.29Å
410	S	95	Very high	91.3	Very high	6 Å²	6	52.6 Å²	52.6	4%	0.042	30%	0.302	C	S	.	.	H	α-helix	trans	-70.3	-30	177.1	63.6	0	0	0	0	113	Q406 L407 F408 P419 D423 Y424	Q406-S410 PolarHBondContact O-N 2.94Å; Q406-S410 PolarHBondContact O-OG 3.2Å; L407-S410 PolarHBondContact O-OG 3.25Å; F408-S410 VanDerWaalsContact C-N 3.32Å; F408-S410 PolarHBondContact O-N 2.96Å; S410-P419 VanDerWaalsContact O-CB 3.24Å; S410-P419 WeakPolarHBondContact O-CB 3.37Å; S410-D423 WeakPolarHBondContact CB-OD2 3.29Å; S410-Y424 WeakPolarHBondContact OG-CD2 3.42Å
411	A	94.1	Very high	91.2	Very high	2 Å²	2	56.7 Å²	56.7	2%	0.017	32%	0.321	C	S	.	.	H	α-helix	trans	-79.1	-32	173.4	0	0	0	0	0	113.6	L407 F408 E409 Y424 V481 F505	L407-A411 PolarHBondContact O-N 2.92Å; F408-A411 PolarHBondContact O-N 2.95Å; E409-A411 VanDerWaalsContact C-N 3.35Å; A411-Y424 HydrophobicContact CB-CD2 3.9Å; A411-Y424 HydrophobicContact CB-CE2 3.74Å; A411-V481 HydrophobicContact CB-CG2 4.04Å; A411-F505 HydrophobicContact CB-CE1 3.86Å
412	S	90.6	Very high	91.1	Very high	29 Å²	29	60.7 Å²	60.7	20%	0.203	34%	0.341	C	S	.	.	S	Bend	trans	-135.7	76.4	-177.7	-68.7	0	0	0	0	110.9	F408 E409 S414	F408-S412 PolarHBondContact O-N 3.48Å; E409-S412 CarbonylContact O-C 3.24Å; E409-S412 VanDerWaalsContact O-C 3.24Å; E409-S412 PolarHBondContact O-N 2.9Å; S412-S414 PolarHBondContact O-N 3.21Å
413	P	89.4	Confident	91	Very high	33 Å²	33	63.3 Å²	63.3	21%	0.214	35%	0.353	C	S	.	.			trans	-64.5	130.2	-175.3	-20.8	32.5	0	0	0	112.1	E409 S415 G416 P419	E409-P413 VanDerWaalsContact O-CA 3.26Å; E409-P413 WeakPolarHBondContact O-CA 3.25Å; E409-P413 VanDerWaalsContact O-N 3.12Å; P413-S415 PolarHBondContact O-N 2.98Å; P413-S415 VanDerWaalsContact O-N 3.15Å; P413-G416 PolarHBondContact O-N 3.49Å; P413-G416 VanDerWaalsContact O-N 3.11Å; P413-P419 HydrophobicContact CG-CB 4.44Å
414	S	85.1	Confident	91	Very high	104 Å²	104	62.4 Å²	62.4	73%	0.727	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-21	177.3	-58.3	0	0	0	0	113.3	E409 S412 G416	E409-S414 VanDerWaalsContact OE1-CB 3.25Å; E409-S414 WeakPolarHBondContact OE1-CB 3.36Å; E409-S414 PolarHBondContact OE1-N 2.9Å; E409-S414 PolarHBondContact OE1-OG 3.29Å; S412-S414 PolarHBondContact O-N 3.21Å; S414-G416 PolarHBondContact O-N 2.86Å
415	S	80.6	Confident	90.9	Very high	82 Å²	82	64.7 Å²	64.7	57%	0.573	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-10.3	176.8	55.8	0	0	0	0	113.8	P413 N417	P413-S415 PolarHBondContact O-N 2.98Å; P413-S415 VanDerWaalsContact O-N 3.15Å; S415-N417 PolarHBondContact O-N 3.38Å; S415-N417 PolarHBondContact OG-ND2 3.47Å
416	G	76.1	Confident	90.9	Very high	68 Å²	68	60 Å²	60	70%	0.701	35%	0.35	S	S	*	.			trans	76.6	-0.4	-173.5	0	0	0	0	0	113.9	P413 S414	P413-G416 PolarHBondContact O-N 3.49Å; P413-G416 VanDerWaalsContact O-N 3.11Å; S414-G416 PolarHBondContact O-N 2.86Å
417	N	83.6	Confident	90.9	Very high	111 Å²	111	57.7 Å²	57.7	59%	0.594	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-65.1	156.3	175.3	-68.9	-16.3	0	0	0	111.3	S415	S415-N417 PolarHBondContact O-N 3.38Å; S415-N417 PolarHBondContact OG-ND2 3.47Å
418	L	87.5	Confident	90.9	Very high	112 Å²	112	59.9 Å²	59.9	59%	0.586	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-63.7	138.2	169.7	-72.7	165.5	0	0	0	109.7	A484 P486	L418-A484 HydrophobicContact CD2-CB 4.27Å; L418-A484 VanDerWaalsContact CD2-O 3.24Å; L418-A484 WeakPolarHBondContact CD2-O 3.44Å; L418-P486 HydrophobicContact CD2-CG 4.36Å
419	P	90.4	Very high	90.8	Very high	20 Å²	20	65.9 Å²	65.9	13%	0.13	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-64.2	134.8	178.8	23.9	-30.8	0	0	0	111.2	S410 P413 V481 A484	S410-P419 VanDerWaalsContact O-CB 3.24Å; S410-P419 WeakPolarHBondContact O-CB 3.37Å; P413-P419 HydrophobicContact CG-CB 4.44Å; P419-V481 HydrophobicContact CB-CG1 4.33Å; P419-V481 HydrophobicContact CB-CG2 4.12Å; P419-V481 HydrophobicContact CG-CB 4.36Å; P419-V481 HydrophobicContact CG-CG1 4.16Å; P419-V481 HydrophobicContact CG-CG2 4.36Å; P419-A484 HydrophobicContact CG-CB 3.56Å
420	D	91.1	Very high	90.9	Very high	91 Å²	91	65.5 Å²	65.5	49%	0.487	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-84.1	117.6	174	-179.1	-5	0	0	0	109.8	N422 D423 Y424	D420-N422 VanDerWaalsContact C-N 3.28Å; D420-N422 PolarHBondContact O-N 3.5Å; D420-N422 WeakPolarHBondContact OD1-CB 3.4Å; D420-N422 PolarHBondContact OD1-N 2.96Å; D420-D423 HydrophobicContact CB-CB 3.99Å; D420-D423 PolarHBondContact O-N 3.32Å; D420-Y424 WeakPolarHBondContact O-CB 3.2Å; D420-Y424 PolarHBondContact O-N 2.87Å
421	Q	91	Very high	91	Very high	88 Å²	88	65.2 Å²	65.2	41%	0.411	37%	0.371	S	S	.	.	H	α-helix	trans	-66.4	-29.3	-178.1	-162.3	162.7	19.4	0	0	112.9	N425 V481	Q421-N425 WeakPolarHBondContact O-CB 3.28Å; Q421-N425 PolarHBondContact O-N 2.81Å; Q421-N425 PolarHBondContact O-ND2 3.3Å; Q421-V481 HydrophobicContact CB-CG1 4.45Å; Q421-V481 HydrophobicContact CG-CG1 4.39Å
422	N	92.4	Very high	91	Very high	119 Å²	119	67.2 Å²	67.2	64%	0.636	38%	0.382	S	S	*	.	H	α-helix	trans	-72	-45.9	176.4	-73.1	-30.1	0	0	0	111.2	D420 Y424 N425 V426	D420-N422 VanDerWaalsContact C-N 3.28Å; D420-N422 PolarHBondContact O-N 3.5Å; D420-N422 WeakPolarHBondContact OD1-CB 3.4Å; D420-N422 PolarHBondContact OD1-N 2.96Å; N422-Y424 VanDerWaalsContact C-N 3.34Å; N422-Y424 PolarHBondContact O-N 3.46Å; N422-N425 WeakPolarHBondContact O-CB 3.37Å; N422-N425 PolarHBondContact O-N 3.18Å; N422-V426 WeakPolarHBondContact O-CG2 3.35Å; N422-V426 PolarHBondContact O-N 3.36Å
423	D	93.8	Very high	91.1	Very high	67 Å²	67	70.1 Å²	70.1	36%	0.358	40%	0.395	S	S	.	.	H	α-helix	trans	-59.7	-45.9	174.3	-176.1	54.6	0	0	0	110.9	S410 D420 N425 V426 K427	S410-D423 WeakPolarHBondContact CB-OD2 3.29Å; D420-D423 HydrophobicContact CB-CB 3.99Å; D420-D423 PolarHBondContact O-N 3.32Å; D423-N425 VanDerWaalsContact C-N 3.3Å; D423-N425 PolarHBondContact O-N 3.16Å; D423-V426 PolarHBondContact O-N 3Å; D423-V426 VanDerWaalsContact O-N 3.08Å; D423-K427 WeakPolarHBondContact O-CG 3.38Å; D423-K427 PolarHBondContact O-N 3.15Å
424	Y	95.6	Very high	91.4	Very high	1 Å²	1	69.4 Å²	69.4	0%	0.004	39%	0.388	C	S	.	.	H	α-helix	trans	-55.5	-43.5	174.1	-175.5	-97.1	0	0	0	112.5	L407 S410 A411 D420 N422 V426 K427 M428 V474 G477 R478 V481	L407-Y424 HydrophobicContact CD1-CD2 3.84Å; L407-Y424 HydrophobicContact CD1-CE1 4.41Å; L407-Y424 HydrophobicContact CD1-CE2 3.31Å; L407-Y424 HydrophobicContact CG-CE2 3.92Å; S410-Y424 WeakPolarHBondContact OG-CD2 3.42Å; A411-Y424 HydrophobicContact CB-CD2 3.9Å; A411-Y424 HydrophobicContact CB-CE2 3.74Å; D420-Y424 WeakPolarHBondContact O-CB 3.2Å; D420-Y424 PolarHBondContact O-N 2.87Å; N422-Y424 VanDerWaalsContact C-N 3.34Å; N422-Y424 PolarHBondContact O-N 3.46Å; Y424-V426 VanDerWaalsContact C-N 3.34Å; Y424-V426 PolarHBondContact O-N 3.2Å; Y424-K427 PolarHBondContact O-N 3.48Å; Y424-M428 VanDerWaalsContact O-CB 3.24Å; Y424-M428 WeakPolarHBondContact O-CB 3.07Å; Y424-M428 PolarHBondContact O-N 2.97Å; Y424-V474 PolarHBondContact OH-O 2.82Å; Y424-G477 WeakPolarHBondContact OH-CA 3.26Å; Y424-R478 HydrophobicContact CE1-CB 4.02Å; Y424-R478 PolarHBondContact OH-N 2.62Å; Y424-R478 VanDerWaalsContact OH-N 3.08Å; Y424-V481 HydrophobicContact CD1-CG2 4.3Å; Y424-V481 HydrophobicContact CD2-CG2 3.86Å; Y424-V481 HydrophobicContact CE2-CG2 4.3Å; Y424-V481 HydrophobicContact CG-CG2 3.87Å
425	N	93.5	Very high	91.8	Very high	48 Å²	48	64.4 Å²	64.4	26%	0.257	35%	0.354	S	S	.	.	H	α-helix	trans	-65.7	-34	178.2	-72.4	-34	0	0	0	112.9	Q421 N422 D423 K429 R478	Q421-N425 WeakPolarHBondContact O-CB 3.28Å; Q421-N425 PolarHBondContact O-N 2.81Å; Q421-N425 PolarHBondContact O-ND2 3.3Å; N422-N425 WeakPolarHBondContact O-CB 3.37Å; N422-N425 PolarHBondContact O-N 3.18Å; D423-N425 VanDerWaalsContact C-N 3.3Å; D423-N425 PolarHBondContact O-N 3.16Å; N425-K429 WeakPolarHBondContact O-CG 3.48Å; N425-K429 PolarHBondContact O-N 2.95Å; N425-R478 PolarHBondContact OD1-NH2 2.8Å
426	V	96	Very high	92.4	Very high	76 Å²	76	63.9 Å²	63.9	46%	0.461	34%	0.344	S	S	.	.	H	α-helix	trans	-67.7	-50.1	174.3	173.6	0	0	0	0	109.9	N422 D423 Y424 M428 K429 E430	N422-V426 WeakPolarHBondContact O-CG2 3.35Å; N422-V426 PolarHBondContact O-N 3.36Å; D423-V426 PolarHBondContact O-N 3Å; D423-V426 VanDerWaalsContact O-N 3.08Å; Y424-V426 VanDerWaalsContact C-N 3.34Å; Y424-V426 PolarHBondContact O-N 3.2Å; V426-M428 VanDerWaalsContact C-N 3.28Å; V426-M428 PolarHBondContact O-N 3.41Å; V426-K429 PolarHBondContact O-N 2.7Å; V426-K429 VanDerWaalsContact O-N 3.08Å; V426-E430 PolarHBondContact O-N 2.86Å; V426-E430 VanDerWaalsContact O-N 3.1Å
427	K	96.9	Very high	93.1	Very high	39 Å²	39	64.9 Å²	64.9	17%	0.17	33%	0.331	C	S	.	.	H	α-helix	trans	-63.6	-33	178.9	-60.4	-47.5	179.4	-178.9	0	113.3	Q406 L407 D423 Y424 E430 F431	Q406-K427 HydrophobicContact CB-CD 4.07Å; Q406-K427 HydrophobicContact CB-CG 4.41Å; L407-K427 HydrophobicContact CB-CB 4.45Å; L407-K427 HydrophobicContact CD1-CB 4.21Å; D423-K427 WeakPolarHBondContact O-CG 3.38Å; D423-K427 PolarHBondContact O-N 3.15Å; Y424-K427 PolarHBondContact O-N 3.48Å; K427-E430 WeakPolarHBondContact CD-OE2 3.27Å; K427-E430 IonicContact NZ-OE1 3.06Å; K427-E430 PolarHBondContact NZ-OE1 2.66Å; K427-E430 IonicContact NZ-OE2 3.18Å; K427-E430 PolarHBondContact NZ-OE2 2.82Å; K427-E430 PolarHBondContact O-N 2.96Å; K427-F431 WeakPolarHBondContact O-CB 3.37Å; K427-F431 PolarHBondContact O-N 2.94Å
428	M	96.4	Very high	93.7	Very high	47 Å²	47	59.6 Å²	59.6	23%	0.232	30%	0.303	C	S	.	.	H	α-helix	trans	-58.6	-48	171.1	163.5	-177.9	170.6	0	0	111.5	L407 Y424 V426 F431 L432 V474 R478	L407-M428 HydrophobicContact CD1-CB 4.05Å; Y424-M428 VanDerWaalsContact O-CB 3.24Å; Y424-M428 WeakPolarHBondContact O-CB 3.07Å; Y424-M428 PolarHBondContact O-N 2.97Å; V426-M428 VanDerWaalsContact C-N 3.28Å; V426-M428 PolarHBondContact O-N 3.41Å; M428-F431 PolarHBondContact O-N 3.03Å; M428-L432 HydrophobicContact CE-CD1 3.83Å; M428-L432 HydrophobicContact CG-CD1 4.06Å; M428-L432 WeakPolarHBondContact O-CG 3.28Å; M428-L432 PolarHBondContact O-N 3.08Å; M428-V474 HydrophobicContact CB-CG1 4.25Å; M428-V474 HydrophobicContact CE-CG1 3.65Å; M428-V474 HydrophobicContact CG-CB 4.39Å; M428-V474 HydrophobicContact CG-CG1 3.44Å; M428-V474 VanDerWaalsContact CG-CG1 3.44Å; M428-V474 HydrophobicContact CG-CG2 3.98Å; M428-V474 HydrophobicContact SD-CG1 3.29Å; M428-V474 WeakPolarHBondContact SD-CG1 3.28Å; M428-R478 PolarHBondContact SD-NH2 2.84Å
429	K	94	Very high	93.9	Very high	155 Å²	155	54.9 Å²	54.9	67%	0.674	28%	0.278	S	S	*	.	H	α-helix	trans	-65.5	-42.3	-179.4	-71.2	175.3	-177.7	179.8	0	111.6	N425 V426 F431 L432 N433	N425-K429 WeakPolarHBondContact O-CG 3.48Å; N425-K429 PolarHBondContact O-N 2.95Å; V426-K429 PolarHBondContact O-N 2.7Å; V426-K429 VanDerWaalsContact O-N 3.08Å; K429-F431 PolarHBondContact O-N 3.25Å; K429-L432 PolarHBondContact O-N 2.69Å; K429-N433 WeakPolarHBondContact O-CB 3.41Å; K429-N433 PolarHBondContact O-N 3.03Å
430	E	94.8	Very high	93.8	Very high	77 Å²	77	59 Å²	59	36%	0.36	30%	0.299	S	S	.	.	H	α-helix	trans	-58.6	-46.6	175.8	-69.8	173.5	-175.9	0	0	111.4	Q406 V426 K427 N433 Q434	Q406-E430 PolarHBondContact OE1-OE2 3.12Å; V426-E430 PolarHBondContact O-N 2.86Å; V426-E430 VanDerWaalsContact O-N 3.1Å; K427-E430 WeakPolarHBondContact CD-OE2 3.27Å; K427-E430 IonicContact NZ-OE1 3.06Å; K427-E430 PolarHBondContact NZ-OE1 2.66Å; K427-E430 IonicContact NZ-OE2 3.18Å; K427-E430 PolarHBondContact NZ-OE2 2.82Å; K427-E430 PolarHBondContact O-N 2.96Å; E430-N433 PolarHBondContact O-N 2.96Å; E430-Q434 PolarHBondContact O-N 3.32Å
431	F	97.5	Very high	93.7	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-64.1	-47	178	172.3	-114.6	0	0	0	112.8	P403 L404 L407 K427 M428 K429 N433 Q434 C435 V473 V474 W512	P403-F431 HydrophobicContact CB-CB 4.35Å; L404-F431 HydrophobicContact CB-CD2 3.91Å; L404-F431 HydrophobicContact CB-CE2 3.75Å; L404-F431 HydrophobicContact CD1-CD2 4.41Å; L404-F431 HydrophobicContact CD1-CE1 4.48Å; L404-F431 HydrophobicContact CD1-CE2 3.98Å; L404-F431 HydrophobicContact CD1-CZ 4.01Å; L404-F431 HydrophobicContact CD2-CE2 4.34Å; L404-F431 HydrophobicContact CG-CE2 4.24Å; L407-F431 HydrophobicContact CD2-CB 4.34Å; L407-F431 HydrophobicContact CD2-CD1 3.76Å; L407-F431 HydrophobicContact CD2-CE1 4.32Å; L407-F431 HydrophobicContact CD2-CG 4.13Å; K427-F431 WeakPolarHBondContact O-CB 3.37Å; K427-F431 PolarHBondContact O-N 2.94Å; M428-F431 PolarHBondContact O-N 3.03Å; K429-F431 PolarHBondContact O-N 3.25Å; F431-N433 VanDerWaalsContact C-N 3.3Å; F431-N433 PolarHBondContact O-N 3.05Å; F431-Q434 WeakPolarHBondContact O-CB 3.45Å; F431-Q434 PolarHBondContact O-N 3.23Å; F431-Q434 VanDerWaalsContact O-N 3.13Å; F431-C435 PolarHBondContact O-N 2.92Å; F431-C435 PolarHBondContact O-SG 3.42Å; F431-C435 VanDerWaalsContact O-SG 3.39Å; F431-V473 HydrophobicContact CE1-CB 4.29Å; F431-V473 HydrophobicContact CE1-CG1 4.21Å; F431-V473 HydrophobicContact CZ-CG1 4.4Å; F431-V474 HydrophobicContact CD1-CG2 3.77Å; F431-V474 HydrophobicContact CE1-CG2 4.14Å; F431-W512 HydrophobicContact CE2-CD2 4.08Å; F431-W512 AromaticContact CE2-CE2 3.66Å; F431-W512 HydrophobicContact CE2-CE3 4.32Å; F431-W512 AromaticContact CE2-CH2 3.78Å; F431-W512 HydrophobicContact CE2-CH2 3.78Å; F431-W512 AromaticContact CE2-CZ2 3.51Å; F431-W512 HydrophobicContact CE2-CZ2 3.51Å; F431-W512 HydrophobicContact CE2-CZ3 4.18Å; F431-W512 AromaticContact CZ-CD2 3.91Å; F431-W512 HydrophobicContact CZ-CD2 3.91Å; F431-W512 AromaticContact CZ-CE2 3.57Å; F431-W512 HydrophobicContact CZ-CG 4.22Å; F431-W512 AromaticContact CZ-CZ2 3.92Å; F431-W512 HydrophobicContact CZ-CZ2 3.92Å; F431-W512 AromaticContact CZ-NE1 3.67Å
432	L	94.4	Very high	93.6	Very high	45 Å²	45	50.5 Å²	50.5	24%	0.236	26%	0.257	C	S	.	.	H	α-helix	trans	-64.9	-35.3	179	-69.1	176.3	0	0	0	112.3	M428 K429 Q434 C435 N436 V474	M428-L432 HydrophobicContact CE-CD1 3.83Å; M428-L432 HydrophobicContact CG-CD1 4.06Å; M428-L432 WeakPolarHBondContact O-CG 3.28Å; M428-L432 PolarHBondContact O-N 3.08Å; K429-L432 PolarHBondContact O-N 2.69Å; L432-Q434 VanDerWaalsContact C-N 3.33Å; L432-C435 WeakPolarHBondContact O-CB 3.3Å; L432-C435 PolarHBondContact O-N 2.87Å; L432-N436 PolarHBondContact O-N 2.95Å; L432-N436 PolarHBondContact O-ND2 2.81Å; L432-V474 HydrophobicContact CD1-CG2 4.46Å; L432-V474 HydrophobicContact CD2-CG2 4.07Å; L432-V474 HydrophobicContact CG-CG2 4.15Å
433	N	93.1	Very high	93.3	Very high	90 Å²	90	48 Å²	48	48%	0.481	24%	0.241	S	C	.	.	H	α-helix	trans	-63.7	-40.6	173	-171.8	59.4	0	0	0	111.6	K429 E430 F431 N436 Q437	K429-N433 WeakPolarHBondContact O-CB 3.41Å; K429-N433 PolarHBondContact O-N 3.03Å; E430-N433 PolarHBondContact O-N 2.96Å; F431-N433 VanDerWaalsContact C-N 3.3Å; F431-N433 PolarHBondContact O-N 3.05Å; N433-N436 PolarHBondContact O-N 3.39Å; N433-Q437 PolarHBondContact ND2-NE2 3.41Å; N433-Q437 WeakPolarHBondContact O-CG 3.37Å; N433-Q437 PolarHBondContact O-N 3.42Å; N433-Q437 VanDerWaalsContact O-N 3.08Å
434	Q	94.4	Very high	92.8	Very high	17 Å²	17	45.6 Å²	45.6	8%	0.079	23%	0.228	C	C	.	.	H	α-helix	trans	-62	-42.9	173.6	179.5	178.3	55.9	0	0	112.1	D399 P403 E430 F431 L432 N436 Q437 L438	D399-Q434 PolarHBondContact O-NE2 3.48Å; P403-Q434 HydrophobicContact CG-CB 4.36Å; P403-Q434 VanDerWaalsContact CG-CD 3.47Å; P403-Q434 HydrophobicContact CG-CG 4.48Å; E430-Q434 PolarHBondContact O-N 3.32Å; F431-Q434 WeakPolarHBondContact O-CB 3.45Å; F431-Q434 PolarHBondContact O-N 3.23Å; F431-Q434 VanDerWaalsContact O-N 3.13Å; L432-Q434 VanDerWaalsContact C-N 3.33Å; Q434-N436 VanDerWaalsContact C-N 3.28Å; Q434-N436 PolarHBondContact O-N 2.93Å; Q434-Q437 PolarHBondContact O-N 3.01Å; Q434-Q437 VanDerWaalsContact O-N 3.13Å; Q434-L438 HydrophobicContact CG-CD1 3.95Å; Q434-L438 HydrophobicContact CG-CG 4.25Å; Q434-L438 WeakPolarHBondContact O-CG 3.31Å; Q434-L438 PolarHBondContact O-N 3.28Å
435	C	95.1	Very high	92.5	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-54.4	-46.3	175.7	-67	0	0	0	0	111.3	F431 L432 Q437 L438 V439 N467	F431-C435 PolarHBondContact O-N 2.92Å; F431-C435 PolarHBondContact O-SG 3.42Å; F431-C435 VanDerWaalsContact O-SG 3.39Å; L432-C435 WeakPolarHBondContact O-CB 3.3Å; L432-C435 PolarHBondContact O-N 2.87Å; C435-Q437 PolarHBondContact O-N 3.18Å; C435-L438 PolarHBondContact O-N 3.17Å; C435-V439 WeakPolarHBondContact O-CB 3.35Å; C435-V439 WeakPolarHBondContact O-CG2 3.48Å; C435-V439 PolarHBondContact O-N 3.41Å; C435-N467 VanDerWaalsContact C-OD1 3.27Å; C435-N467 VanDerWaalsContact CB-OD1 3.27Å; C435-N467 WeakPolarHBondContact CB-OD1 3.48Å
436	N	91.5	Very high	91.9	Very high	70 Å²	70	43.3 Å²	43.3	37%	0.374	22%	0.216	S	C	.	.	H	α-helix	trans	-61.8	-41.8	177	-71.1	-41.9	0	0	0	112.7	L432 N433 Q434 V439 N440 N467	L432-N436 PolarHBondContact O-N 2.95Å; L432-N436 PolarHBondContact O-ND2 2.81Å; N433-N436 PolarHBondContact O-N 3.39Å; Q434-N436 VanDerWaalsContact C-N 3.28Å; Q434-N436 PolarHBondContact O-N 2.93Å; N436-V439 PolarHBondContact O-N 3.11Å; N436-N440 WeakPolarHBondContact O-CB 3.37Å; N436-N440 PolarHBondContact O-N 2.92Å; N436-N440 PolarHBondContact O-ND2 3.26Å; N436-N440 PolarHBondContact O-OD1 3.07Å; N436-N467 PolarHBondContact N-OD1 2.94Å; N436-N467 PolarHBondContact OD1-ND2 2.97Å; N436-N467 PolarHBondContact OD1-OD1 3.21Å
437	Q	92.2	Very high	91	Very high	90 Å²	90	41.1 Å²	41.1	42%	0.421	21%	0.206	S	C	.	.	H	α-helix	trans	-63.3	-42.9	177.3	-70.4	176.9	-8.1	0	0	112.1	V396 N433 Q434 C435 T441	V396-Q437 HydrophobicContact CG1-CB 4.1Å; N433-Q437 PolarHBondContact ND2-NE2 3.41Å; N433-Q437 WeakPolarHBondContact O-CG 3.37Å; N433-Q437 PolarHBondContact O-N 3.42Å; N433-Q437 VanDerWaalsContact O-N 3.08Å; Q434-Q437 PolarHBondContact O-N 3.01Å; Q434-Q437 VanDerWaalsContact O-N 3.13Å; C435-Q437 PolarHBondContact O-N 3.18Å; Q437-T441 WeakPolarHBondContact O-CB 3.37Å; Q437-T441 PolarHBondContact O-N 3.29Å; Q437-T441 PolarHBondContact O-OG1 2.96Å
438	L	94.8	Very high	90	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-60.8	-48.9	175.9	-69.9	166.3	0	0	0	110.7	V396 Y397 L400 Q434 C435 T441 G442 L466 W512 M519	V396-L438 HydrophobicContact CG1-CD2 3.86Å; V396-L438 HydrophobicContact CG1-CG 4.28Å; Y397-L438 HydrophobicContact CD1-CD2 3.67Å; Y397-L438 HydrophobicContact CD2-CD2 4.21Å; Y397-L438 HydrophobicContact CE1-CD2 3.47Å; Y397-L438 VanDerWaalsContact CE1-CD2 3.47Å; Y397-L438 HydrophobicContact CE2-CD2 4Å; Y397-L438 HydrophobicContact CG-CD2 4.05Å; Y397-L438 PolarHBondContact OH-O 3.14Å; Y397-L438 VanDerWaalsContact OH-O 3.05Å; L400-L438 HydrophobicContact CD1-CD1 3.91Å; L400-L438 HydrophobicContact CD1-CD2 3.68Å; L400-L438 HydrophobicContact CD1-CG 4.49Å; Q434-L438 HydrophobicContact CG-CD1 3.95Å; Q434-L438 HydrophobicContact CG-CG 4.25Å; Q434-L438 WeakPolarHBondContact O-CG 3.31Å; Q434-L438 PolarHBondContact O-N 3.28Å; C435-L438 PolarHBondContact O-N 3.17Å; L438-T441 PolarHBondContact O-N 3.44Å; L438-G442 PolarHBondContact O-N 2.83Å; L438-L466 HydrophobicContact CB-CD2 3.94Å; L438-L466 HydrophobicContact CD1-CD2 4.21Å; L438-W512 HydrophobicContact CD1-CH2 4.06Å; L438-W512 HydrophobicContact CD1-CZ2 4.03Å; L438-M519 VanDerWaalsContact O-CE 3.31Å; L438-M519 WeakPolarHBondContact O-CE 3.26Å
439	V	91.8	Very high	88.6	Confident	13 Å²	13	39.1 Å²	39.1	8%	0.079	20%	0.196	C	C	.	.	H	α-helix	trans	-58.2	-52	178.2	168.4	0	0	0	0	111.5	C435 N436 T441 G442 E443 T463 L466	C435-V439 WeakPolarHBondContact O-CB 3.35Å; C435-V439 WeakPolarHBondContact O-CG2 3.48Å; C435-V439 PolarHBondContact O-N 3.41Å; N436-V439 PolarHBondContact O-N 3.11Å; V439-T441 VanDerWaalsContact C-N 3.3Å; V439-T441 PolarHBondContact O-N 3.44Å; V439-G442 PolarHBondContact O-N 3.22Å; V439-G442 VanDerWaalsContact O-N 3.11Å; V439-E443 HydrophobicContact CG1-CG 4.47Å; V439-E443 PolarHBondContact O-N 3.27Å; V439-T463 WeakPolarHBondContact CG2-O 3.47Å; V439-L466 HydrophobicContact CG2-CB 3.92Å; V439-L466 HydrophobicContact CG2-CD2 4.11Å; V439-L466 HydrophobicContact CG2-CG 4.5Å
440	N	88.7	Confident	86.8	Confident	105 Å²	105	32 Å²	32	56%	0.561	17%	0.166	S	C	*	.	H	α-helix	trans	-59.8	-41.9	-179.1	-68.5	-13.7	0	0	0	111.9	N436 L444	N436-N440 WeakPolarHBondContact O-CB 3.37Å; N436-N440 PolarHBondContact O-N 2.92Å; N436-N440 PolarHBondContact O-ND2 3.26Å; N436-N440 PolarHBondContact O-OD1 3.07Å; N440-L444 WeakPolarHBondContact O-CB 3.41Å; N440-L444 PolarHBondContact O-N 3.41Å
441	T	89.1	Confident	84.8	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.006	18%	0.179	C	C	.	.	H	α-helix	trans	-69.4	-35	177.8	-51.2	0	0	0	0	111.7	Q392 I393 Y397 Q437 L438 V439 L444 A445	Q392-T441 HydrophobicContact CB-CG2 4.33Å; Q392-T441 HydrophobicContact CG-CG2 3.87Å; I393-T441 HydrophobicContact CG1-CG2 3.75Å; Y397-T441 HydrophobicContact CD2-CG2 4.41Å; Y397-T441 HydrophobicContact CE2-CG2 3.98Å; Q437-T441 WeakPolarHBondContact O-CB 3.37Å; Q437-T441 PolarHBondContact O-N 3.29Å; Q437-T441 PolarHBondContact O-OG1 2.96Å; L438-T441 PolarHBondContact O-N 3.44Å; V439-T441 VanDerWaalsContact C-N 3.3Å; V439-T441 PolarHBondContact O-N 3.44Å; T441-L444 WeakPolarHBondContact O-CB 3.14Å; T441-L444 PolarHBondContact O-N 3.42Å; T441-A445 PolarHBondContact O-N 2.92Å
442	G	90.3	Very high	82.8	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-69.6	-42.3	175.6	0	0	0	0	0	113.1	L438 V439 L444 A445 A446 L459	L438-G442 PolarHBondContact O-N 2.83Å; V439-G442 PolarHBondContact O-N 3.22Å; V439-G442 VanDerWaalsContact O-N 3.11Å; G442-L444 VanDerWaalsContact C-N 3.25Å; G442-L444 PolarHBondContact O-N 2.99Å; G442-A445 PolarHBondContact O-N 2.97Å; G442-A446 PolarHBondContact O-N 3.02Å; G442-L459 VanDerWaalsContact O-CD2 3.24Å; G442-L459 WeakPolarHBondContact O-CD2 3.31Å
443	E	85.2	Confident	80.8	Confident	67 Å²	67	33.4 Å²	33.4	31%	0.313	18%	0.184	S	C	.	.	H	α-helix	trans	-60	-40.2	172.7	-75.6	-63.2	161.1	0	0	111.3	V439 A446 A447 T463	V439-E443 HydrophobicContact CG1-CG 4.47Å; V439-E443 PolarHBondContact O-N 3.27Å; E443-A446 PolarHBondContact O-N 3.43Å; E443-A447 WeakPolarHBondContact O-CB 3.47Å; E443-A447 PolarHBondContact O-N 3.25Å; E443-T463 HydrophobicContact CG-CG2 3.98Å; E443-T463 WeakPolarHBondContact OE1-CB 3.43Å; E443-T463 PolarHBondContact OE1-OG1 3.03Å
444	L	84.3	Confident	79.2	Confident	17 Å²	17	35.8 Å²	35.8	9%	0.089	19%	0.186	C	C	.	.	H	α-helix	trans	-61	-47.8	174.5	-178.9	65.6	0	0	0	112	I309 L389 N440 T441 G442 A446 A447 T448	I309-L444 HydrophobicContact CB-CD1 3.93Å; I309-L444 HydrophobicContact CD1-CD1 3.33Å; I309-L444 HydrophobicContact CG1-CD1 3.22Å; I309-L444 HydrophobicContact CG2-CD1 3.53Å; I309-L444 HydrophobicContact CG2-CD2 3.88Å; I309-L444 HydrophobicContact CG2-CG 4.35Å; L389-L444 HydrophobicContact CD1-CB 4.44Å; L389-L444 HydrophobicContact CD1-CD2 3.78Å; L389-L444 HydrophobicContact CD1-CG 3.8Å; N440-L444 WeakPolarHBondContact O-CB 3.41Å; N440-L444 PolarHBondContact O-N 3.41Å; T441-L444 WeakPolarHBondContact O-CB 3.14Å; T441-L444 PolarHBondContact O-N 3.42Å; G442-L444 VanDerWaalsContact C-N 3.25Å; G442-L444 PolarHBondContact O-N 2.99Å; L444-A446 VanDerWaalsContact C-N 3.3Å; L444-A446 PolarHBondContact O-N 3.11Å; L444-A447 PolarHBondContact O-N 2.88Å; L444-T448 HydrophobicContact CD1-CG2 4.05Å; L444-T448 HydrophobicContact CG-CG2 4.36Å; L444-T448 WeakPolarHBondContact O-CB 3.44Å; L444-T448 WeakPolarHBondContact O-CG2 3.49Å; L444-T448 PolarHBondContact O-N 3.02Å; L444-T448 PolarHBondContact O-OG1 3.14Å
445	A	87.3	Confident	78.1	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.7	-40.4	177	0	0	0	0	0	111.7	L389 I393 T441 G442 A447 T448 K449 L459 V523	L389-A445 HydrophobicContact CD1-CB 4.11Å; I393-A445 HydrophobicContact CD1-CB 4.34Å; T441-A445 PolarHBondContact O-N 2.92Å; G442-A445 PolarHBondContact O-N 2.97Å; A445-A447 VanDerWaalsContact C-N 3.34Å; A445-A447 PolarHBondContact O-N 3.23Å; A445-T448 WeakPolarHBondContact CA-OG1 3.49Å; A445-T448 PolarHBondContact O-N 3.43Å; A445-T448 PolarHBondContact O-OG1 2.95Å; A445-T448 VanDerWaalsContact O-OG1 3.13Å; A445-K449 PolarHBondContact O-N 3.02Å; A445-L459 HydrophobicContact CB-CD2 3.93Å; A445-V523 HydrophobicContact CB-CG1 4.28Å; A445-V523 HydrophobicContact CB-CG2 4.12Å
446	A	81.5	Confident	76.9	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.2	-35.7	175.9	0	0	0	0	0	113.3	G442 E443 L444 S456 L459 R460	G442-A446 PolarHBondContact O-N 3.02Å; E443-A446 PolarHBondContact O-N 3.43Å; L444-A446 VanDerWaalsContact C-N 3.3Å; L444-A446 PolarHBondContact O-N 3.11Å; A446-S456 PolarHBondContact O-OG 3.14Å; A446-L459 HydrophobicContact CB-CB 4.31Å; A446-L459 HydrophobicContact CB-CD2 3.98Å; A446-L459 HydrophobicContact CB-CG 4.15Å; A446-R460 HydrophobicContact CB-CG 3.85Å
447	A	77.5	Confident	75.7	Confident	30 Å²	30	36.1 Å²	36.1	25%	0.248	19%	0.185	C	C	.	.	H	α-helix	trans	-77.7	-24.5	178.2	0	0	0	0	0	113.6	T272 L273 E443 L444 A445	T272-A447 CarbonylContact C-O 3.6Å; T272-A447 WeakPolarHBondContact CA-O 3.5Å; L273-A447 PolarHBondContact N-O 3.1Å; E443-A447 WeakPolarHBondContact O-CB 3.47Å; E443-A447 PolarHBondContact O-N 3.25Å; L444-A447 PolarHBondContact O-N 2.88Å; A445-A447 VanDerWaalsContact C-N 3.34Å; A445-A447 PolarHBondContact O-N 3.23Å
448	T	75.1	Confident	74.9	Confident	3 Å²	3	33.5 Å²	33.5	2%	0.018	18%	0.179	C	C	.	.	H	α-helix	trans	-91.6	-69	-171.8	44	0	0	0	0	113.1	L273 E274 I309 W382 L389 L444 A445	L273-T448 HydrophobicContact CD1-CG2 3.89Å; E274-T448 WeakPolarHBondContact CB-O 3.19Å; E274-T448 PolarHBondContact N-O 3.47Å; I309-T448 HydrophobicContact CD1-CG2 3.87Å; W382-T448 WeakPolarHBondContact CH2-O 3.43Å; L389-T448 HydrophobicContact CD2-CG2 4.39Å; L389-T448 WeakPolarHBondContact CD2-OG1 3.34Å; L444-T448 HydrophobicContact CD1-CG2 4.05Å; L444-T448 HydrophobicContact CG-CG2 4.36Å; L444-T448 WeakPolarHBondContact O-CB 3.44Å; L444-T448 WeakPolarHBondContact O-CG2 3.49Å; L444-T448 PolarHBondContact O-N 3.02Å; L444-T448 PolarHBondContact O-OG1 3.14Å; A445-T448 WeakPolarHBondContact CA-OG1 3.49Å; A445-T448 PolarHBondContact O-N 3.43Å; A445-T448 PolarHBondContact O-OG1 2.95Å; A445-T448 VanDerWaalsContact O-OG1 3.13Å
449	K	67.3	Low	74.4	Confident	41 Å²	41	33.5 Å²	33.5	18%	0.178	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.2	2.2	-155	-169.9	162.1	170.4	-169.5	0	115.4	W382 E386 L389 A445 S451 A526	W382-K449 HydrophobicContact CH2-CB 4.39Å; W382-K449 HydrophobicContact CZ2-CD 4.45Å; W382-K449 HydrophobicContact CZ2-CG 4.5Å; E386-K449 IonicContact OE1-NZ 3.98Å; E386-K449 PolarHBondContact OE1-NZ 3.43Å; L389-K449 HydrophobicContact CD2-CB 4.4Å; A445-K449 PolarHBondContact O-N 3.02Å; K449-S451 VanDerWaalsContact C-N 3.3Å; K449-S451 PolarHBondContact O-N 2.99Å; K449-A526 WeakPolarHBondContact CD-O 3.32Å; K449-A526 WeakPolarHBondContact CE-O 3.32Å; K449-A526 WeakPolarHBondContact CG-O 3.48Å
450	L	57.6	Low	73.9	Confident	6 Å²	6	35.7 Å²	35.7	3%	0.031	19%	0.185	C	C	.	.			trans	-78.5	84.5	174	-71.2	179.5	0	0	0	109.6	T272 D452 R455 L459 A526	T272-L450 WeakPolarHBondContact CG2-O 3.41Å; L450-D452 PolarHBondContact O-N 3.42Å; L450-R455 HydrophobicContact CD1-CB 4.32Å; L450-R455 HydrophobicContact CD2-CB 4.13Å; L450-L459 HydrophobicContact CD1-CB 3.95Å; L450-L459 HydrophobicContact CD1-CD2 3.53Å; L450-L459 HydrophobicContact CD1-CG 4.39Å; L450-A526 HydrophobicContact CD2-CB 3.7Å; L450-A526 HydrophobicContact CG-CB 4.13Å
451	S	53	Low	73.4	Confident	91 Å²	91	32.9 Å²	32.9	64%	0.636	17%	0.174	S	C	*	.			trans	-53.2	-30.6	176.1	53.2	0	0	0	0	112.9	K449 V453	K449-S451 VanDerWaalsContact C-N 3.3Å; K449-S451 PolarHBondContact O-N 2.99Å; S451-V453 PolarHBondContact O-N 3.42Å
452	D	55.3	Low	73.2	Confident	31 Å²	31	33.5 Å²	33.5	17%	0.166	18%	0.177	C	C	.	.	S	Bend	trans	-82.5	110.7	170.9	-80.1	-64.4	0	0	0	112.3	L450 W454 R455 S456	L450-D452 PolarHBondContact O-N 3.42Å; D452-W454 HydrophobicContact CB-CG 4.46Å; D452-W454 PolarHBondContact O-N 2.93Å; D452-W454 VanDerWaalsContact O-N 3.15Å; D452-W454 PolarHBondContact OD1-NE1 3.28Å; D452-R455 HydrophobicContact CB-CB 3.95Å; D452-R455 HydrophobicContact CB-CG 3.82Å; D452-R455 WeakPolarHBondContact O-CB 3.39Å; D452-R455 PolarHBondContact O-N 2.9Å; D452-R455 IonicContact OD2-CZ 4Å; D452-R455 IonicContact OD2-NH1 2.73Å; D452-R455 PolarHBondContact OD2-NH1 2.97Å; D452-S456 PolarHBondContact O-N 3.26Å
453	V	52.5	Low	73.1	Confident	30 Å²	30	33.6 Å²	33.6	18%	0.182	18%	0.177	C	C	.	.	H	α-helix	trans	-43.8	-47.1	172.8	-162.6	0	0	0	0	112.1	D134 S451 R455 S456 D457	D134-V453 HydrophobicContact CB-CG1 3.82Å; D134-V453 VanDerWaalsContact CG-CG1 3.41Å; D134-V453 WeakPolarHBondContact OD1-CG2 3.49Å; D134-V453 VanDerWaalsContact OD2-CG2 3.31Å; D134-V453 WeakPolarHBondContact OD2-CG2 3.43Å; S451-V453 PolarHBondContact O-N 3.42Å; V453-R455 PolarHBondContact O-N 3.06Å; V453-S456 WeakPolarHBondContact O-CB 3.49Å; V453-S456 PolarHBondContact O-N 3.45Å; V453-D457 WeakPolarHBondContact O-CB 3.45Å; V453-D457 PolarHBondContact O-N 3Å
454	W	59.4	Low	72.9	Confident	139 Å²	139	34.3 Å²	34.3	53%	0.527	19%	0.19	S	C	.	.	H	α-helix	trans	-69.1	-34	-176.6	71.8	-90.7	0	0	0	112.3	D452 A458	D452-W454 HydrophobicContact CB-CG 4.46Å; D452-W454 PolarHBondContact O-N 2.93Å; D452-W454 VanDerWaalsContact O-N 3.15Å; D452-W454 PolarHBondContact OD1-NE1 3.28Å; W454-A458 WeakPolarHBondContact O-CB 3.34Å; W454-A458 PolarHBondContact O-N 3.2Å
455	R	70.4	Confident	72.9	Confident	52 Å²	52	35.1 Å²	35.1	20%	0.196	19%	0.193	C	C	.	.	H	α-helix	trans	-71.1	-42.5	173.9	-69.6	-176	163.5	89.1	-5.2	110.3	L450 D452 V453 A458 L459 E525	L450-R455 HydrophobicContact CD1-CB 4.32Å; L450-R455 HydrophobicContact CD2-CB 4.13Å; D452-R455 HydrophobicContact CB-CB 3.95Å; D452-R455 HydrophobicContact CB-CG 3.82Å; D452-R455 WeakPolarHBondContact O-CB 3.39Å; D452-R455 PolarHBondContact O-N 2.9Å; D452-R455 IonicContact OD2-CZ 4Å; D452-R455 IonicContact OD2-NH1 2.73Å; D452-R455 PolarHBondContact OD2-NH1 2.97Å; V453-R455 PolarHBondContact O-N 3.06Å; R455-A458 PolarHBondContact O-N 3.49Å; R455-L459 VanDerWaalsContact O-CB 3.31Å; R455-L459 WeakPolarHBondContact O-CB 3.42Å; R455-L459 PolarHBondContact O-N 3.36Å; R455-E525 IonicContact CZ-OE1 3.87Å; R455-E525 IonicContact CZ-OE2 3.86Å; R455-E525 IonicContact NE-OE1 3.95Å; R455-E525 PolarHBondContact NE-OE1 3.08Å; R455-E525 IonicContact NE-OE2 3.09Å; R455-E525 PolarHBondContact NE-OE2 3.38Å; R455-E525 IonicContact NH2-OE1 4Å; R455-E525 PolarHBondContact NH2-OE1 3.35Å; R455-E525 IonicContact NH2-OE2 2.82Å
456	S	70	Confident	73.2	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.014	19%	0.193	C	C	.	.	H	α-helix	trans	-59.4	-46.4	174.9	-174	0	0	0	0	111.2	A446 D452 V453 L459 R460	A446-S456 PolarHBondContact O-OG 3.14Å; D452-S456 PolarHBondContact O-N 3.26Å; V453-S456 WeakPolarHBondContact O-CB 3.49Å; V453-S456 PolarHBondContact O-N 3.45Å; S456-L459 PolarHBondContact O-N 2.88Å; S456-R460 WeakPolarHBondContact O-CB 3.41Å; S456-R460 WeakPolarHBondContact O-CG 3.18Å; S456-R460 PolarHBondContact O-N 2.97Å
457	D	66.5	Low	73.6	Confident	41 Å²	41	37.6 Å²	37.6	22%	0.219	21%	0.206	C	C	.	.	H	α-helix	trans	-71.2	-37	178.6	-75.8	-23.6	0	0	0	112.4	R271 V453 L459 R460 C461	R271-D457 IonicContact CZ-OD1 3.36Å; R271-D457 IonicContact CZ-OD2 3.29Å; R271-D457 IonicContact NH1-OD1 2.86Å; R271-D457 PolarHBondContact NH1-OD1 3.42Å; R271-D457 VanDerWaalsContact NH1-OD1 3.13Å; R271-D457 IonicContact NH1-OD2 2.85Å; R271-D457 PolarHBondContact NH1-OD2 2.98Å; R271-D457 IonicContact NH2-OD1 3.19Å; R271-D457 PolarHBondContact NH2-OD1 3.48Å; R271-D457 IonicContact NH2-OD2 3.29Å; V453-D457 WeakPolarHBondContact O-CB 3.45Å; V453-D457 PolarHBondContact O-N 3Å; D457-L459 VanDerWaalsContact C-N 3.33Å; D457-L459 PolarHBondContact O-N 3.27Å; D457-R460 PolarHBondContact O-N 2.96Å; D457-R460 IonicContact OD1-NH1 3.62Å; D457-C461 VanDerWaalsContact O-CB 3.3Å; D457-C461 WeakPolarHBondContact O-CB 3.45Å; D457-C461 PolarHBondContact O-N 3.41Å
458	A	74.4	Confident	74.1	Confident	35 Å²	35	40.7 Å²	40.7	29%	0.289	22%	0.216	S	C	.	.	H	α-helix	trans	-62.1	-42.1	171.7	0	0	0	0	0	111.4	W454 R455 C461 L462 L522	W454-A458 WeakPolarHBondContact O-CB 3.34Å; W454-A458 PolarHBondContact O-N 3.2Å; R455-A458 PolarHBondContact O-N 3.49Å; A458-C461 WeakPolarHBondContact O-CB 3.35Å; A458-C461 PolarHBondContact O-N 3.19Å; A458-L462 WeakPolarHBondContact O-CG 3.38Å; A458-L462 PolarHBondContact O-N 3.47Å; A458-L522 HydrophobicContact CB-CD1 4.21Å
459	L	84.7	Confident	75	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-65.1	-45.7	176.3	-177.9	53.9	0	0	0	111.1	G442 A445 A446 L450 R455 S456 D457 C461 L462 T463 M519 L522 V523	G442-L459 VanDerWaalsContact O-CD2 3.24Å; G442-L459 WeakPolarHBondContact O-CD2 3.31Å; A445-L459 HydrophobicContact CB-CD2 3.93Å; A446-L459 HydrophobicContact CB-CB 4.31Å; A446-L459 HydrophobicContact CB-CD2 3.98Å; A446-L459 HydrophobicContact CB-CG 4.15Å; L450-L459 HydrophobicContact CD1-CB 3.95Å; L450-L459 HydrophobicContact CD1-CD2 3.53Å; L450-L459 HydrophobicContact CD1-CG 4.39Å; R455-L459 VanDerWaalsContact O-CB 3.31Å; R455-L459 WeakPolarHBondContact O-CB 3.42Å; R455-L459 PolarHBondContact O-N 3.36Å; S456-L459 PolarHBondContact O-N 2.88Å; D457-L459 VanDerWaalsContact C-N 3.33Å; D457-L459 PolarHBondContact O-N 3.27Å; L459-C461 VanDerWaalsContact C-N 3.27Å; L459-C461 PolarHBondContact O-N 2.97Å; L459-L462 PolarHBondContact O-N 3.26Å; L459-L462 VanDerWaalsContact O-N 3.12Å; L459-T463 HydrophobicContact CD1-CG2 4.32Å; L459-T463 HydrophobicContact CG-CG2 4.4Å; L459-T463 VanDerWaalsContact O-CG2 3.27Å; L459-T463 WeakPolarHBondContact O-CG2 3.48Å; L459-T463 PolarHBondContact O-N 2.71Å; L459-T463 PolarHBondContact O-OG1 2.86Å; L459-M519 HydrophobicContact CD1-CE 4.26Å; L459-M519 HydrophobicContact CD1-CG 3.62Å; L459-L522 HydrophobicContact CB-CD1 4.11Å; L459-L522 HydrophobicContact CD1-CB 4.35Å; L459-L522 HydrophobicContact CD1-CD1 4.47Å; L459-V523 HydrophobicContact CD1-CG2 3.83Å; L459-V523 HydrophobicContact CD2-CG2 3.78Å; L459-V523 HydrophobicContact CG-CG2 4.5Å
460	R	81.5	Confident	76.4	Confident	58 Å²	58	38.6 Å²	38.6	22%	0.219	21%	0.206	C	C	.	.	H	α-helix	trans	-60.7	-33.9	173.9	-77	177.4	173.3	148	0.6	113.4	A446 S456 D457 T463 S464	A446-R460 HydrophobicContact CB-CG 3.85Å; S456-R460 WeakPolarHBondContact O-CB 3.41Å; S456-R460 WeakPolarHBondContact O-CG 3.18Å; S456-R460 PolarHBondContact O-N 2.97Å; D457-R460 PolarHBondContact O-N 2.96Å; D457-R460 IonicContact OD1-NH1 3.62Å; R460-T463 WeakPolarHBondContact CA-OG1 3.39Å; R460-T463 PolarHBondContact O-OG1 3.4Å; R460-S464 WeakPolarHBondContact O-CB 3.41Å; R460-S464 PolarHBondContact O-N 3.48Å; R460-S464 VanDerWaalsContact O-N 3.14Å; R460-S464 PolarHBondContact O-OG 3.42Å
461	C	77.7	Confident	78.1	Confident	47 Å²	47	40.2 Å²	40.2	32%	0.318	22%	0.221	S	C	.	.	H	α-helix	trans	-65.1	-46.8	174	-170	0	0	0	0	110.1	D457 A458 L459 S464 Q465	D457-C461 VanDerWaalsContact O-CB 3.3Å; D457-C461 WeakPolarHBondContact O-CB 3.45Å; D457-C461 PolarHBondContact O-N 3.41Å; A458-C461 WeakPolarHBondContact O-CB 3.35Å; A458-C461 PolarHBondContact O-N 3.19Å; L459-C461 VanDerWaalsContact C-N 3.27Å; L459-C461 PolarHBondContact O-N 2.97Å; C461-S464 PolarHBondContact O-N 3.46Å; C461-S464 PolarHBondContact O-OG 3.29Å; C461-Q465 WeakPolarHBondContact O-CG 3.45Å; C461-Q465 PolarHBondContact O-N 3.28Å; C461-Q465 PolarHBondContact SG-NE2 3.45Å
462	L	86.1	Confident	80.1	Confident	14 Å²	14	36.9 Å²	36.9	7%	0.073	20%	0.195	C	C	.	.	H	α-helix	trans	-66.3	-42.6	179	-67.1	168.7	0	0	0	112.9	A458 L459 S464 Q465 L466 T515 R518 M519 L522	A458-L462 WeakPolarHBondContact O-CG 3.38Å; A458-L462 PolarHBondContact O-N 3.47Å; L459-L462 PolarHBondContact O-N 3.26Å; L459-L462 VanDerWaalsContact O-N 3.12Å; L462-S464 VanDerWaalsContact C-N 3.32Å; L462-S464 PolarHBondContact O-N 3.39Å; L462-Q465 PolarHBondContact O-N 3.42Å; L462-L466 PolarHBondContact O-N 2.96Å; L462-T515 HydrophobicContact CD2-CG2 3.86Å; L462-R518 HydrophobicContact CD1-CB 4.11Å; L462-M519 HydrophobicContact CB-CB 4.43Å; L462-M519 HydrophobicContact CD1-CB 4.34Å; L462-L522 HydrophobicContact CD1-CD1 3.73Å
463	T	87.3	Confident	82.1	Confident	1 Å²	1	35.4 Å²	35.4	1%	0.006	19%	0.187	C	C	.	.	H	α-helix	trans	-58.7	-43.1	175.8	53	0	0	0	0	111.2	V439 E443 L459 R460 Q465 M519	V439-T463 WeakPolarHBondContact CG2-O 3.47Å; E443-T463 HydrophobicContact CG-CG2 3.98Å; E443-T463 WeakPolarHBondContact OE1-CB 3.43Å; E443-T463 PolarHBondContact OE1-OG1 3.03Å; L459-T463 HydrophobicContact CD1-CG2 4.32Å; L459-T463 HydrophobicContact CG-CG2 4.4Å; L459-T463 VanDerWaalsContact O-CG2 3.27Å; L459-T463 WeakPolarHBondContact O-CG2 3.48Å; L459-T463 PolarHBondContact O-N 2.71Å; L459-T463 PolarHBondContact O-OG1 2.86Å; R460-T463 WeakPolarHBondContact CA-OG1 3.39Å; R460-T463 PolarHBondContact O-OG1 3.4Å; T463-Q465 VanDerWaalsContact C-N 3.26Å; T463-Q465 PolarHBondContact O-N 2.74Å; T463-M519 HydrophobicContact CG2-CE 3.21Å
464	S	81.9	Confident	84.3	Confident	82 Å²	82	34.1 Å²	34.1	57%	0.573	18%	0.179	S	C	*	.	H	α-helix	trans	-64.7	-29.2	179.5	75.2	0	0	0	0	113.1	R460 C461 L462	R460-S464 WeakPolarHBondContact O-CB 3.41Å; R460-S464 PolarHBondContact O-N 3.48Å; R460-S464 VanDerWaalsContact O-N 3.14Å; R460-S464 PolarHBondContact O-OG 3.42Å; C461-S464 PolarHBondContact O-N 3.46Å; C461-S464 PolarHBondContact O-OG 3.29Å; L462-S464 VanDerWaalsContact C-N 3.32Å; L462-S464 PolarHBondContact O-N 3.39Å
465	Q	84.9	Confident	86	Confident	35 Å²	35	29.6 Å²	29.6	16%	0.164	17%	0.165	C	C	.	.	H	α-helix	trans	-88.8	-33.4	-178	-68.5	173.9	16.8	0	0	113.3	C461 L462 T463 N467 E468 L469	C461-Q465 WeakPolarHBondContact O-CG 3.45Å; C461-Q465 PolarHBondContact O-N 3.28Å; C461-Q465 PolarHBondContact SG-NE2 3.45Å; L462-Q465 PolarHBondContact O-N 3.42Å; T463-Q465 VanDerWaalsContact C-N 3.26Å; T463-Q465 PolarHBondContact O-N 2.74Å; Q465-N467 VanDerWaalsContact C-N 3.33Å; Q465-N467 PolarHBondContact O-N 3.46Å; Q465-E468 PolarHBondContact O-N 2.96Å; Q465-L469 WeakPolarHBondContact O-CB 3.31Å; Q465-L469 PolarHBondContact O-N 3.21Å
466	L	92	Very high	87.2	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.3	-39.2	-165.5	-169.5	71.9	0	0	0	113.3	L438 V439 L462 G470 W512 T515 A516 M519	L438-L466 HydrophobicContact CB-CD2 3.94Å; L438-L466 HydrophobicContact CD1-CD2 4.21Å; V439-L466 HydrophobicContact CG2-CB 3.92Å; V439-L466 HydrophobicContact CG2-CD2 4.11Å; V439-L466 HydrophobicContact CG2-CG 4.5Å; L462-L466 PolarHBondContact O-N 2.96Å; L466-G470 PolarHBondContact O-N 3.48Å; L466-W512 HydrophobicContact CD1-CD2 4.44Å; L466-W512 HydrophobicContact CD1-CG 4.47Å; L466-W512 HydrophobicContact CD1-CZ2 4.34Å; L466-T515 HydrophobicContact CD1-CG2 4.02Å; L466-A516 HydrophobicContact CD1-CB 4.06Å; L466-M519 HydrophobicContact CD2-SD 3.77Å
467	N	90.1	Very high	88.5	Confident	51 Å²	51	27.1 Å²	27.1	27%	0.273	16%	0.156	S	C	.	.	H	α-helix	trans	-68.3	-44.4	-179.9	-88.8	-13.7	0	0	0	112.5	C435 N436 Q465 G470 A471	C435-N467 VanDerWaalsContact C-OD1 3.27Å; C435-N467 VanDerWaalsContact CB-OD1 3.27Å; C435-N467 WeakPolarHBondContact CB-OD1 3.48Å; N436-N467 PolarHBondContact N-OD1 2.94Å; N436-N467 PolarHBondContact OD1-ND2 2.97Å; N436-N467 PolarHBondContact OD1-OD1 3.21Å; Q465-N467 VanDerWaalsContact C-N 3.33Å; Q465-N467 PolarHBondContact O-N 3.46Å; N467-G470 PolarHBondContact O-N 3.24Å; N467-A471 PolarHBondContact O-N 2.93Å
468	E	88.5	Confident	89.8	Confident	95 Å²	95	27.4 Å²	27.4	44%	0.444	15%	0.154	S	C	.	.	H	α-helix	trans	-63.7	-45.8	176.6	-165.2	178.5	176.2	0	0	109.8	F105 Q465 G470 A471 Q472	F105-E468 HydrophobicContact CD2-CG 3.79Å; F105-E468 WeakPolarHBondContact CD2-OE1 3.39Å; F105-E468 HydrophobicContact CE2-CB 4.06Å; F105-E468 HydrophobicContact CE2-CG 3.55Å; Q465-E468 PolarHBondContact O-N 2.96Å; E468-G470 VanDerWaalsContact C-N 3.3Å; E468-G470 PolarHBondContact O-N 3.35Å; E468-A471 WeakPolarHBondContact O-CB 3.47Å; E468-A471 PolarHBondContact O-N 3.36Å; E468-A471 VanDerWaalsContact O-N 3.12Å; E468-Q472 VanDerWaalsContact O-CG 3.29Å; E468-Q472 WeakPolarHBondContact O-CG 3.4Å; E468-Q472 PolarHBondContact O-N 3.3Å; E468-Q472 VanDerWaalsContact O-N 3.08Å
469	L	94	Very high	90.8	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-59.7	-40	175.8	-177.7	55.8	0	0	0	112.2	F105 Q465 A471 Q472 V473 M508 H511 W512 T515	F105-L469 HydrophobicContact CE1-CD1 3.8Å; F105-L469 HydrophobicContact CZ-CB 4.2Å; F105-L469 HydrophobicContact CZ-CD1 4.13Å; Q465-L469 WeakPolarHBondContact O-CB 3.31Å; Q465-L469 PolarHBondContact O-N 3.21Å; L469-A471 PolarHBondContact O-N 3.04Å; L469-Q472 WeakPolarHBondContact O-CB 3.41Å; L469-Q472 PolarHBondContact O-N 3.27Å; L469-Q472 VanDerWaalsContact O-N 3.13Å; L469-V473 VanDerWaalsContact O-CG2 3.27Å; L469-V473 WeakPolarHBondContact O-CG2 3.43Å; L469-V473 PolarHBondContact O-N 3Å; L469-M508 HydrophobicContact CD1-CE 3.81Å; L469-H511 VanDerWaalsContact CD1-ND1 3.31Å; L469-H511 WeakPolarHBondContact CD1-ND1 3.44Å; L469-W512 HydrophobicContact CD2-CB 4.08Å; L469-W512 HydrophobicContact CG-CB 4.08Å; L469-W512 HydrophobicContact CG-CG 4.45Å; L469-T515 HydrophobicContact CD2-CG2 4.47Å
470	G	95.7	Very high	91.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-59.5	-43.5	174.2	0	0	0	0	0	112.7	L466 N467 E468 Q472 V473 V474	L466-G470 PolarHBondContact O-N 3.48Å; N467-G470 PolarHBondContact O-N 3.24Å; E468-G470 VanDerWaalsContact C-N 3.3Å; E468-G470 PolarHBondContact O-N 3.35Å; G470-Q472 VanDerWaalsContact C-N 3.27Å; G470-Q472 PolarHBondContact O-N 3.48Å; G470-V473 PolarHBondContact O-N 3.2Å; G470-V474 WeakPolarHBondContact O-CG2 3.47Å; G470-V474 PolarHBondContact O-N 3.36Å; G470-V474 VanDerWaalsContact O-N 3.15Å
471	A	94.6	Very high	91.8	Very high	40 Å²	40	23.9 Å²	23.9	33%	0.331	14%	0.135	S	C	.	.	H	α-helix	trans	-60.9	-37.9	174	0	0	0	0	0	111.9	N467 E468 L469 V474 L475	N467-A471 PolarHBondContact O-N 2.93Å; E468-A471 WeakPolarHBondContact O-CB 3.47Å; E468-A471 PolarHBondContact O-N 3.36Å; E468-A471 VanDerWaalsContact O-N 3.12Å; L469-A471 PolarHBondContact O-N 3.04Å; A471-V474 WeakPolarHBondContact O-CB 3.43Å; A471-V474 PolarHBondContact O-N 2.73Å; A471-L475 WeakPolarHBondContact O-CG 3.24Å; A471-L475 PolarHBondContact O-N 2.88Å; A471-L475 VanDerWaalsContact O-N 3.1Å
472	Q	95	Very high	92.5	Very high	20 Å²	20	24 Å²	24	9%	0.093	13%	0.133	C	C	.	.	H	α-helix	trans	-71.3	-36.8	179.6	-60.9	-64.2	-28.7	0	0	113	A101 N102 F105 E468 L469 G470 V474 L475 A476 M508	A101-Q472 PolarHBondContact O-OE1 2.75Å; N102-Q472 PolarHBondContact ND2-O 3.28Å; N102-Q472 PolarHBondContact ND2-OE1 2.89Å; F105-Q472 VanDerWaalsContact CB-CD 3.46Å; F105-Q472 HydrophobicContact CB-CG 3.79Å; F105-Q472 HydrophobicContact CD1-CB 4.16Å; F105-Q472 HydrophobicContact CD1-CG 3.64Å; F105-Q472 HydrophobicContact CD2-CG 3.72Å; F105-Q472 HydrophobicContact CE1-CB 4.47Å; F105-Q472 HydrophobicContact CE1-CG 4.11Å; F105-Q472 HydrophobicContact CE2-CG 4.19Å; F105-Q472 HydrophobicContact CG-CB 4.4Å; F105-Q472 HydrophobicContact CG-CG 3.42Å; F105-Q472 VanDerWaalsContact CG-CG 3.42Å; F105-Q472 HydrophobicContact CZ-CG 4.37Å; E468-Q472 VanDerWaalsContact O-CG 3.29Å; E468-Q472 WeakPolarHBondContact O-CG 3.4Å; E468-Q472 PolarHBondContact O-N 3.3Å; E468-Q472 VanDerWaalsContact O-N 3.08Å; L469-Q472 WeakPolarHBondContact O-CB 3.41Å; L469-Q472 PolarHBondContact O-N 3.27Å; L469-Q472 VanDerWaalsContact O-N 3.13Å; G470-Q472 VanDerWaalsContact C-N 3.27Å; G470-Q472 PolarHBondContact O-N 3.48Å; Q472-V474 VanDerWaalsContact C-N 3.29Å; Q472-V474 PolarHBondContact O-N 3.21Å; Q472-L475 PolarHBondContact O-N 3.38Å; Q472-A476 PolarHBondContact O-N 2.93Å; Q472-M508 HydrophobicContact CB-CE 3.51Å
473	V	97.6	Very high	92.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-59.3	-43.2	172	172.2	0	0	0	0	110.6	L404 F431 L469 G470 L475 A476 G477 F505 M508 W512	L404-V473 HydrophobicContact CD1-CG1 3.66Å; F431-V473 HydrophobicContact CE1-CB 4.29Å; F431-V473 HydrophobicContact CE1-CG1 4.21Å; F431-V473 HydrophobicContact CZ-CG1 4.4Å; L469-V473 VanDerWaalsContact O-CG2 3.27Å; L469-V473 WeakPolarHBondContact O-CG2 3.43Å; L469-V473 PolarHBondContact O-N 3Å; G470-V473 PolarHBondContact O-N 3.2Å; V473-L475 VanDerWaalsContact C-N 3.34Å; V473-L475 PolarHBondContact O-N 2.96Å; V473-A476 PolarHBondContact O-N 3.11Å; V473-G477 PolarHBondContact O-N 2.93Å; V473-F505 HydrophobicContact CG1-CD2 4.45Å; V473-F505 HydrophobicContact CG1-CE2 3.75Å; V473-F505 VanDerWaalsContact O-CE2 3.3Å; V473-F505 WeakPolarHBondContact O-CE2 3.43Å; V473-M508 HydrophobicContact CG2-CB 4.18Å; V473-W512 HydrophobicContact CG2-CB 3.71Å; V473-W512 HydrophobicContact CG2-CG 4.22Å
474	V	97.2	Very high	92.9	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.018	13%	0.134	C	C	.	.	H	α-helix	trans	-63.4	-38.3	176.4	166.1	0	0	0	0	112.2	L407 Y424 M428 F431 L432 G470 A471 Q472 G477 R478	L407-V474 HydrophobicContact CD2-CG2 3.95Å; Y424-V474 PolarHBondContact OH-O 2.82Å; M428-V474 HydrophobicContact CB-CG1 4.25Å; M428-V474 HydrophobicContact CE-CG1 3.65Å; M428-V474 HydrophobicContact CG-CB 4.39Å; M428-V474 HydrophobicContact CG-CG1 3.44Å; M428-V474 VanDerWaalsContact CG-CG1 3.44Å; M428-V474 HydrophobicContact CG-CG2 3.98Å; M428-V474 HydrophobicContact SD-CG1 3.29Å; M428-V474 WeakPolarHBondContact SD-CG1 3.28Å; F431-V474 HydrophobicContact CD1-CG2 3.77Å; F431-V474 HydrophobicContact CE1-CG2 4.14Å; L432-V474 HydrophobicContact CD1-CG2 4.46Å; L432-V474 HydrophobicContact CD2-CG2 4.07Å; L432-V474 HydrophobicContact CG-CG2 4.15Å; G470-V474 WeakPolarHBondContact O-CG2 3.47Å; G470-V474 PolarHBondContact O-N 3.36Å; G470-V474 VanDerWaalsContact O-N 3.15Å; A471-V474 WeakPolarHBondContact O-CB 3.43Å; A471-V474 PolarHBondContact O-N 2.73Å; Q472-V474 VanDerWaalsContact C-N 3.29Å; Q472-V474 PolarHBondContact O-N 3.21Å; V474-G477 PolarHBondContact O-N 2.94Å; V474-R478 WeakPolarHBondContact O-CB 3.39Å; V474-R478 PolarHBondContact O-N 3.46Å
475	L	95.6	Very high	93.1	Very high	45 Å²	45	23.4 Å²	23.4	24%	0.236	12%	0.124	C	C	.	.	H	α-helix	trans	-67	-42.1	175.6	-67	172.8	0	0	0	111.2	E98 A101 A471 Q472 V473 G477 R478 A479	E98-L475 HydrophobicContact CB-CB 4.28Å; E98-L475 HydrophobicContact CG-CB 4.38Å; E98-L475 HydrophobicContact CG-CD2 4.12Å; A101-L475 HydrophobicContact CB-CD1 3.67Å; A471-L475 WeakPolarHBondContact O-CG 3.24Å; A471-L475 PolarHBondContact O-N 2.88Å; A471-L475 VanDerWaalsContact O-N 3.1Å; Q472-L475 PolarHBondContact O-N 3.38Å; V473-L475 VanDerWaalsContact C-N 3.34Å; V473-L475 PolarHBondContact O-N 2.96Å; L475-G477 VanDerWaalsContact C-N 3.35Å; L475-G477 PolarHBondContact O-N 3.24Å; L475-R478 PolarHBondContact O-N 3.38Å; L475-A479 PolarHBondContact O-N 3.01Å
476	A	96.4	Very high	93	Very high	2 Å²	2	25.2 Å²	25.2	2%	0.017	14%	0.139	C	C	.	.	H	α-helix	trans	-60.7	-43.6	175.4	0	0	0	0	0	111.7	Q472 V473 R478 A479 V480 F505 M508	Q472-A476 PolarHBondContact O-N 2.93Å; V473-A476 PolarHBondContact O-N 3.11Å; A476-R478 PolarHBondContact O-N 2.79Å; A476-A479 WeakPolarHBondContact O-CB 3.34Å; A476-A479 PolarHBondContact O-N 3.43Å; A476-V480 PolarHBondContact O-N 2.84Å; A476-F505 HydrophobicContact CB-CB 4.32Å; A476-F505 HydrophobicContact CB-CD2 3.95Å; A476-M508 HydrophobicContact CB-CB 4.28Å; A476-M508 HydrophobicContact CB-CG 4.05Å
477	G	96.2	Very high	92.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-65.8	-35.6	174.9	0	0	0	0	0	113	Y424 V473 V474 L475 A479 V480 V481	Y424-G477 WeakPolarHBondContact OH-CA 3.26Å; V473-G477 PolarHBondContact O-N 2.93Å; V474-G477 PolarHBondContact O-N 2.94Å; L475-G477 VanDerWaalsContact C-N 3.35Å; L475-G477 PolarHBondContact O-N 3.24Å; G477-A479 VanDerWaalsContact C-N 3.34Å; G477-A479 PolarHBondContact O-N 2.96Å; G477-V480 WeakPolarHBondContact O-CB 3.49Å; G477-V480 PolarHBondContact O-N 3.48Å; G477-V480 VanDerWaalsContact O-N 3.13Å; G477-V481 PolarHBondContact O-N 2.8Å; G477-V481 VanDerWaalsContact O-N 3.09Å
478	R	95.4	Very high	92.5	Very high	47 Å²	47	28.2 Å²	28.2	18%	0.177	16%	0.155	C	C	.	.	H	α-helix	trans	-64.7	-38.7	174.6	-176.2	174.1	-63.6	-90.7	-9.1	111.4	E98 Y424 N425 M428 V474 L475 A476 V480 V481 L482	E98-R478 HydrophobicContact CG-CB 4.2Å; E98-R478 HydrophobicContact CG-CG 4.2Å; E98-R478 VanDerWaalsContact OE1-CD 3.29Å; E98-R478 WeakPolarHBondContact OE1-CD 3.33Å; Y424-R478 HydrophobicContact CE1-CB 4.02Å; Y424-R478 PolarHBondContact OH-N 2.62Å; Y424-R478 VanDerWaalsContact OH-N 3.08Å; N425-R478 PolarHBondContact OD1-NH2 2.8Å; M428-R478 PolarHBondContact SD-NH2 2.84Å; V474-R478 WeakPolarHBondContact O-CB 3.39Å; V474-R478 PolarHBondContact O-N 3.46Å; L475-R478 PolarHBondContact O-N 3.38Å; A476-R478 PolarHBondContact O-N 2.79Å; R478-V480 VanDerWaalsContact C-N 3.26Å; R478-V480 PolarHBondContact O-N 3.33Å; R478-V481 PolarHBondContact O-N 2.92Å; R478-L482 HydrophobicContact CG-CD1 4.19Å; R478-L482 HydrophobicContact CG-CG 4.41Å; R478-L482 WeakPolarHBondContact O-CB 3.49Å; R478-L482 VanDerWaalsContact O-CG 3.31Å; R478-L482 WeakPolarHBondContact O-CG 3.48Å; R478-L482 PolarHBondContact O-N 3.47Å
479	A	93.7	Very high	92.2	Very high	2 Å²	2	29.9 Å²	29.9	2%	0.017	16%	0.163	C	C	.	.	H	α-helix	trans	-60.4	-36.1	173.2	0	0	0	0	0	112	E98 L475 A476 G477 S483 T501	E98-A479 HydrophobicContact CB-CB 4.11Å; L475-A479 PolarHBondContact O-N 3.01Å; A476-A479 WeakPolarHBondContact O-CB 3.34Å; A476-A479 PolarHBondContact O-N 3.43Å; G477-A479 VanDerWaalsContact C-N 3.34Å; G477-A479 PolarHBondContact O-N 2.96Å; A479-S483 VanDerWaalsContact O-CB 3.29Å; A479-S483 WeakPolarHBondContact O-CB 3.24Å; A479-S483 PolarHBondContact O-N 2.85Å; A479-S483 PolarHBondContact O-OG 2.83Å; A479-S483 VanDerWaalsContact O-OG 3.12Å; A479-T501 HydrophobicContact CB-CG2 4.18Å
480	V	94.6	Very high	91.6	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.006	20%	0.203	C	C	.	.	H	α-helix	trans	-62.3	-50.9	172.8	180	0	0	0	0	111	A476 G477 R478 L482 S483 A484 T501 F505	A476-V480 PolarHBondContact O-N 2.84Å; G477-V480 WeakPolarHBondContact O-CB 3.49Å; G477-V480 PolarHBondContact O-N 3.48Å; G477-V480 VanDerWaalsContact O-N 3.13Å; R478-V480 VanDerWaalsContact C-N 3.26Å; R478-V480 PolarHBondContact O-N 3.33Å; V480-L482 VanDerWaalsContact C-N 3.3Å; V480-L482 PolarHBondContact O-N 3.05Å; V480-S483 WeakPolarHBondContact CA-OG 3.44Å; V480-S483 PolarHBondContact O-N 3.49Å; V480-S483 VanDerWaalsContact O-N 3.1Å; V480-S483 PolarHBondContact O-OG 2.81Å; V480-A484 PolarHBondContact O-N 3.28Å; V480-T501 WeakPolarHBondContact CG2-O 3.16Å; V480-F505 HydrophobicContact CG2-CB 3.81Å; V480-F505 HydrophobicContact CG2-CD1 4.02Å; V480-F505 HydrophobicContact CG2-CG 4.24Å
481	V	94	Very high	91	Very high	15 Å²	15	41.3 Å²	41.3	9%	0.091	22%	0.221	C	C	.	.	H	α-helix	trans	-55.8	-46.1	178.4	175.4	0	0	0	0	111.1	A411 P419 Q421 Y424 G477 R478 S483 A484	A411-V481 HydrophobicContact CB-CG2 4.04Å; P419-V481 HydrophobicContact CB-CG1 4.33Å; P419-V481 HydrophobicContact CB-CG2 4.12Å; P419-V481 HydrophobicContact CG-CB 4.36Å; P419-V481 HydrophobicContact CG-CG1 4.16Å; P419-V481 HydrophobicContact CG-CG2 4.36Å; Q421-V481 HydrophobicContact CB-CG1 4.45Å; Q421-V481 HydrophobicContact CG-CG1 4.39Å; Y424-V481 HydrophobicContact CD1-CG2 4.3Å; Y424-V481 HydrophobicContact CD2-CG2 3.86Å; Y424-V481 HydrophobicContact CE2-CG2 4.3Å; Y424-V481 HydrophobicContact CG-CG2 3.87Å; G477-V481 PolarHBondContact O-N 2.8Å; G477-V481 VanDerWaalsContact O-N 3.09Å; R478-V481 PolarHBondContact O-N 2.92Å; V481-S483 VanDerWaalsContact C-N 3.34Å; V481-S483 PolarHBondContact O-N 3.34Å; V481-A484 WeakPolarHBondContact O-CB 3.13Å; V481-A484 PolarHBondContact O-N 3.46Å
482	L	91.7	Very high	90.3	Very high	50 Å²	50	44.1 Å²	44.1	26%	0.262	24%	0.236	S	C	.	.	H	α-helix	trans	-66.9	-33	179	-70.1	176	0	0	0	113.2	P94 R478 V480 A484	P94-L482 HydrophobicContact CB-CB 4.2Å; R478-L482 HydrophobicContact CG-CD1 4.19Å; R478-L482 HydrophobicContact CG-CG 4.41Å; R478-L482 WeakPolarHBondContact O-CB 3.49Å; R478-L482 VanDerWaalsContact O-CG 3.31Å; R478-L482 WeakPolarHBondContact O-CG 3.48Å; R478-L482 PolarHBondContact O-N 3.47Å; V480-L482 VanDerWaalsContact C-N 3.3Å; V480-L482 PolarHBondContact O-N 3.05Å; L482-A484 VanDerWaalsContact C-N 3.27Å; L482-A484 PolarHBondContact O-N 2.87Å
483	S	91.6	Very high	89.5	Confident	5 Å²	5	44.6 Å²	44.6	4%	0.035	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-3.6	178.2	69.5	0	0	0	0	114.4	A479 V480 V481 D485 T501	A479-S483 VanDerWaalsContact O-CB 3.29Å; A479-S483 WeakPolarHBondContact O-CB 3.24Å; A479-S483 PolarHBondContact O-N 2.85Å; A479-S483 PolarHBondContact O-OG 2.83Å; A479-S483 VanDerWaalsContact O-OG 3.12Å; V480-S483 WeakPolarHBondContact CA-OG 3.44Å; V480-S483 PolarHBondContact O-N 3.49Å; V480-S483 VanDerWaalsContact O-N 3.1Å; V480-S483 PolarHBondContact O-OG 2.81Å; V481-S483 VanDerWaalsContact C-N 3.34Å; V481-S483 PolarHBondContact O-N 3.34Å; S483-D485 VanDerWaalsContact C-N 3.31Å; S483-D485 PolarHBondContact O-N 3.4Å; S483-T501 PolarHBondContact OG-OG1 3.32Å
484	A	89.8	Confident	88.8	Confident	8 Å²	8	44.8 Å²	44.8	7%	0.066	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-12.7	-174.5	0	0	0	0	0	114.1	L418 P419 V480 V481 L482 P486	L418-A484 HydrophobicContact CD2-CB 4.27Å; L418-A484 VanDerWaalsContact CD2-O 3.24Å; L418-A484 WeakPolarHBondContact CD2-O 3.44Å; P419-A484 HydrophobicContact CG-CB 3.56Å; V480-A484 PolarHBondContact O-N 3.28Å; V481-A484 WeakPolarHBondContact O-CB 3.13Å; V481-A484 PolarHBondContact O-N 3.46Å; L482-A484 VanDerWaalsContact C-N 3.27Å; L482-A484 PolarHBondContact O-N 2.87Å; A484-P486 WeakPolarHBondContact O-CD 3.31Å
485	D	86.7	Confident	88	Confident	71 Å²	71	48.8 Å²	48.8	38%	0.38	28%	0.281	S	S	.	.			trans	-59.7	118.8	178.7	-178.9	-2.5	0	0	0	111	S483 N487 L488	S483-D485 VanDerWaalsContact C-N 3.31Å; S483-D485 PolarHBondContact O-N 3.4Å; D485-N487 PolarHBondContact O-N 3.06Å; D485-N487 VanDerWaalsContact O-N 3.14Å; D485-N487 WeakPolarHBondContact OD1-CB 3.38Å; D485-N487 PolarHBondContact OD1-N 3.16Å; D485-N487 PolarHBondContact OD1-ND2 2.83Å; D485-L488 HydrophobicContact CB-CD1 3.89Å; D485-L488 HydrophobicContact CB-CG 4.03Å; D485-L488 WeakPolarHBondContact O-CB 3.5Å; D485-L488 PolarHBondContact O-N 3.19Å; D485-L488 VanDerWaalsContact O-N 3.12Å
486	P	83.6	Confident	87.6	Confident	73 Å²	73	50.1 Å²	50.1	47%	0.474	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-57.3	-28.7	179.6	-23.6	33.9	0	0	0	113.6	L418 A484 L488 Q489	L418-P486 HydrophobicContact CD2-CG 4.36Å; A484-P486 WeakPolarHBondContact O-CD 3.31Å; P486-L488 PolarHBondContact O-N 3Å; P486-Q489 PolarHBondContact O-N 3.18Å
487	N	85.3	Confident	87.3	Confident	106 Å²	106	50 Å²	50	57%	0.567	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-67	-21.7	-178.3	-61.7	-57.3	0	0	0	112.8	D485 Q489 L490	D485-N487 PolarHBondContact O-N 3.06Å; D485-N487 VanDerWaalsContact O-N 3.14Å; D485-N487 WeakPolarHBondContact OD1-CB 3.38Å; D485-N487 PolarHBondContact OD1-N 3.16Å; D485-N487 PolarHBondContact OD1-ND2 2.83Å; N487-Q489 PolarHBondContact O-N 3Å; N487-L490 PolarHBondContact O-N 3.05Å
488	L	86.3	Confident	87	Confident	9 Å²	9	55.1 Å²	55.1	5%	0.047	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-67.9	-23.8	178.8	-65.9	169.5	0	0	0	112.5	L93 P94 D485 P486 L490 Q491 G494	L93-L488 HydrophobicContact CD2-CD2 4.3Å; P94-L488 HydrophobicContact CG-CD1 3.59Å; P94-L488 HydrophobicContact CG-CD2 3.94Å; P94-L488 HydrophobicContact CG-CG 4.43Å; D485-L488 HydrophobicContact CB-CD1 3.89Å; D485-L488 HydrophobicContact CB-CG 4.03Å; D485-L488 WeakPolarHBondContact O-CB 3.5Å; D485-L488 PolarHBondContact O-N 3.19Å; D485-L488 VanDerWaalsContact O-N 3.12Å; P486-L488 PolarHBondContact O-N 3Å; L488-L490 PolarHBondContact O-N 2.83Å; L488-Q491 WeakPolarHBondContact O-CB 3.47Å; L488-Q491 PolarHBondContact O-N 3.34Å; L488-G494 WeakPolarHBondContact O-CA 3.28Å
489	Q	81.4	Confident	86.8	Confident	130 Å²	130	58.3 Å²	58.3	61%	0.607	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-61.8	-27.3	179.4	-66.6	-176.2	5.5	0	0	112.9	P486 N487 Q491	P486-Q489 PolarHBondContact O-N 3.18Å; N487-Q489 PolarHBondContact O-N 3Å; Q489-Q491 VanDerWaalsContact C-N 3.31Å
490	L	82.2	Confident	86.8	Confident	159 Å²	159	59.6 Å²	59.6	83%	0.832	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-82	-11.4	178.3	-61.4	172.2	0	0	0	112.5	N487 L488	N487-L490 PolarHBondContact O-N 3.05Å; L488-L490 PolarHBondContact O-N 2.83Å
491	Q	82.8	Confident	86.8	Confident	81 Å²	81	59.7 Å²	59.7	38%	0.379	34%	0.344	S	S	.	.	S	Bend	trans	-86.2	147.2	179.2	-60.5	-173.2	15.1	0	0	111.3	L93 L488 Q489 G493 G494	L93-Q491 HydrophobicContact CD2-CB 4.08Å; L488-Q491 WeakPolarHBondContact O-CB 3.47Å; L488-Q491 PolarHBondContact O-N 3.34Å; Q489-Q491 VanDerWaalsContact C-N 3.31Å; Q491-G493 PolarHBondContact O-N 2.87Å; Q491-G494 PolarHBondContact O-N 3.18Å
492	P	79.3	Confident	86.8	Confident	100 Å²	100	60 Å²	60	65%	0.649	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	128.1	172.9	-24.4	33.7	0	0	0	111.5	N91 G494	N91-P492 VanDerWaalsContact CB-O 3.27Å; N91-P492 WeakPolarHBondContact CB-O 3.45Å; P492-G494 PolarHBondContact O-N 2.9Å
493	G	79	Confident	87	Confident	30 Å²	30	61.1 Å²	61.1	31%	0.309	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	-6.2	-178.7	0	0	0	0	0	115.9	N87 Q491	N87-G493 PolarHBondContact ND2-O 3.36Å; N87-G493 VanDerWaalsContact ND2-O 3.16Å; Q491-G493 PolarHBondContact O-N 2.87Å
494	G	81.7	Confident	87.2	Confident	4 Å²	4	60.9 Å²	60.9	4%	0.041	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-24.7	-179	0	0	0	0	0	114.8	L488 Q491 P492 S496 L497	L488-G494 WeakPolarHBondContact O-CA 3.28Å; Q491-G494 PolarHBondContact O-N 3.18Å; P492-G494 PolarHBondContact O-N 2.9Å; G494-S496 PolarHBondContact O-N 3.47Å; G494-S496 VanDerWaalsContact O-N 3.09Å; G494-L497 WeakPolarHBondContact O-CB 3.24Å; G494-L497 PolarHBondContact O-N 2.66Å
495	A	80.8	Confident	87.6	Confident	86 Å²	86	60.5 Å²	60.5	71%	0.711	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-31.5	-176.7	0	0	0	0	0	114.4
496	S	86.4	Confident	88	Confident	73 Å²	73	60 Å²	60	51%	0.51	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.6	5.2	177.3	65.6	0	0	0	0	113.6	G494 Q499 A500	G494-S496 PolarHBondContact O-N 3.47Å; G494-S496 VanDerWaalsContact O-N 3.09Å; S496-Q499 PolarHBondContact O-N 2.63Å; S496-A500 WeakPolarHBondContact O-CB 3.26Å; S496-A500 PolarHBondContact O-N 3.47Å
497	L	91.5	Very high	88.7	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-63.4	-48.7	-172.1	-178.7	68.7	0	0	0	111.2	L84 T88 L93 G494 Q499 A500 T501	L84-L497 HydrophobicContact CD1-CD1 3.83Å; T88-L497 HydrophobicContact CG2-CD1 3.62Å; L93-L497 HydrophobicContact CB-CD2 3.94Å; L93-L497 HydrophobicContact CD1-CD1 4.32Å; L93-L497 HydrophobicContact CD1-CD2 4.07Å; L93-L497 HydrophobicContact CG-CD2 4.43Å; G494-L497 WeakPolarHBondContact O-CB 3.24Å; G494-L497 PolarHBondContact O-N 2.66Å; L497-Q499 VanDerWaalsContact C-N 3.28Å; L497-Q499 PolarHBondContact O-N 2.98Å; L497-A500 PolarHBondContact O-N 3.01Å; L497-A500 VanDerWaalsContact O-N 3.13Å; L497-T501 HydrophobicContact CD1-CG2 4.18Å; L497-T501 HydrophobicContact CG-CG2 4.29Å; L497-T501 WeakPolarHBondContact O-CG2 3.5Å; L497-T501 PolarHBondContact O-N 3.44Å; L497-T501 PolarHBondContact O-OG1 2.68Å; L497-T501 VanDerWaalsContact O-OG1 3.09Å
498	K	89.6	Confident	89.2	Confident	107 Å²	107	54.1 Å²	54.1	47%	0.465	31%	0.309	S	S	.	.	H	α-helix	trans	-57.7	-40.4	179.2	-175.3	-179.6	178.7	178.7	0	112.5	T501 S502	K498-T501 WeakPolarHBondContact CA-OG1 3.48Å; K498-T501 PolarHBondContact O-OG1 3.38Å; K498-S502 VanDerWaalsContact O-CB 3.28Å; K498-S502 WeakPolarHBondContact O-CB 3.24Å; K498-S502 PolarHBondContact O-N 3.48Å; K498-S502 VanDerWaalsContact O-N 3.1Å
499	Q	91.3	Very high	89.7	Confident	113 Å²	113	57.2 Å²	57.2	53%	0.528	32%	0.32	S	S	.	.	H	α-helix	trans	-68.8	-45.6	176.7	-172.4	61.4	45.2	0	0	110.7	S496 L497 T501 S502 D503	S496-Q499 PolarHBondContact O-N 2.63Å; L497-Q499 VanDerWaalsContact C-N 3.28Å; L497-Q499 PolarHBondContact O-N 2.98Å; Q499-T501 PolarHBondContact O-N 2.92Å; Q499-S502 PolarHBondContact O-N 3.41Å; Q499-D503 PolarHBondContact NE2-OD1 3.47Å; Q499-D503 WeakPolarHBondContact O-CB 3.36Å; Q499-D503 VanDerWaalsContact O-CG 3.23Å; Q499-D503 PolarHBondContact O-N 3.22Å
500	A	93.4	Very high	90.4	Very high	29 Å²	29	55.5 Å²	55.5	24%	0.24	31%	0.312	C	S	.	.	H	α-helix	trans	-63.4	-39.2	-179.5	0	0	0	0	0	113.1	L84 S496 L497 H504	L84-A500 HydrophobicContact CD1-CB 4.3Å; S496-A500 WeakPolarHBondContact O-CB 3.26Å; S496-A500 PolarHBondContact O-N 3.47Å; L497-A500 PolarHBondContact O-N 3.01Å; L497-A500 VanDerWaalsContact O-N 3.13Å; A500-H504 WeakPolarHBondContact O-CB 3.35Å; A500-H504 PolarHBondContact O-N 2.96Å; A500-H504 VanDerWaalsContact O-N 3.08Å
501	T	95.2	Very high	91	Very high	4 Å²	4	48 Å²	48	3%	0.025	27%	0.273	C	S	.	.	H	α-helix	trans	-66.5	-42.9	173.8	51.9	0	0	0	0	110.9	L84 A479 V480 S483 L497 K498 Q499 H504 F505	L84-T501 HydrophobicContact CD1-CG2 3.62Å; L84-T501 HydrophobicContact CD2-CG2 4.06Å; L84-T501 HydrophobicContact CG-CG2 4.43Å; A479-T501 HydrophobicContact CB-CG2 4.18Å; V480-T501 WeakPolarHBondContact CG2-O 3.16Å; S483-T501 PolarHBondContact OG-OG1 3.32Å; L497-T501 HydrophobicContact CD1-CG2 4.18Å; L497-T501 HydrophobicContact CG-CG2 4.29Å; L497-T501 WeakPolarHBondContact O-CG2 3.5Å; L497-T501 PolarHBondContact O-N 3.44Å; L497-T501 PolarHBondContact O-OG1 2.68Å; L497-T501 VanDerWaalsContact O-OG1 3.09Å; K498-T501 WeakPolarHBondContact CA-OG1 3.48Å; K498-T501 PolarHBondContact O-OG1 3.38Å; Q499-T501 PolarHBondContact O-N 2.92Å; T501-H504 PolarHBondContact O-N 3.18Å; T501-F505 WeakPolarHBondContact O-CB 3.19Å; T501-F505 PolarHBondContact O-N 2.82Å
502	S	94.2	Very high	91.6	Very high	22 Å²	22	44.2 Å²	44.2	15%	0.154	26%	0.255	C	S	.	.	H	α-helix	trans	-63.8	-45.5	178.9	-168.6	0	0	0	0	112	K498 Q499 H504 F505 L506	K498-S502 VanDerWaalsContact O-CB 3.28Å; K498-S502 WeakPolarHBondContact O-CB 3.24Å; K498-S502 PolarHBondContact O-N 3.48Å; K498-S502 VanDerWaalsContact O-N 3.1Å; Q499-S502 PolarHBondContact O-N 3.41Å; S502-H504 PolarHBondContact O-N 3.13Å; S502-F505 PolarHBondContact O-N 3.22Å; S502-L506 WeakPolarHBondContact O-CG 3.43Å; S502-L506 PolarHBondContact O-N 3.01Å
503	D	95.3	Very high	92.4	Very high	72 Å²	72	40.1 Å²	40.1	39%	0.385	23%	0.228	S	C	.	.	H	α-helix	trans	-60.3	-44.9	175.4	-68.1	-19.8	0	0	0	111.1	Q499 F505 L506 M507	Q499-D503 PolarHBondContact NE2-OD1 3.47Å; Q499-D503 WeakPolarHBondContact O-CB 3.36Å; Q499-D503 VanDerWaalsContact O-CG 3.23Å; Q499-D503 PolarHBondContact O-N 3.22Å; D503-F505 PolarHBondContact O-N 3.41Å; D503-L506 WeakPolarHBondContact O-CB 3.46Å; D503-L506 PolarHBondContact O-N 2.93Å; D503-M507 WeakPolarHBondContact O-CG 3.4Å; D503-M507 PolarHBondContact O-N 3.35Å; D503-M507 VanDerWaalsContact O-N 3.09Å
504	H	96.2	Very high	93.1	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-64.3	-41	177.5	-170.7	52.1	0	0	0	112.1	S80 L84 A500 T501 S502 L506 M507 M508	S80-H504 PolarHBondContact OG-ND1 2.96Å; L84-H504 HydrophobicContact CD2-CB 4.36Å; A500-H504 WeakPolarHBondContact O-CB 3.35Å; A500-H504 PolarHBondContact O-N 2.96Å; A500-H504 VanDerWaalsContact O-N 3.08Å; T501-H504 PolarHBondContact O-N 3.18Å; S502-H504 PolarHBondContact O-N 3.13Å; H504-L506 VanDerWaalsContact C-N 3.32Å; H504-L506 PolarHBondContact O-N 3.37Å; H504-M507 WeakPolarHBondContact O-CB 3.36Å; H504-M507 PolarHBondContact O-N 3.43Å; H504-M508 WeakPolarHBondContact O-CG 3.08Å; H504-M508 PolarHBondContact O-N 2.85Å
505	F	97	Very high	93.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.1	-38.2	176.6	-177.3	-145.6	0	0	0	111.8	L407 F408 A411 V473 A476 V480 T501 S502 D503 M508 R509	L407-F505 HydrophobicContact CG-CZ 4.47Å; F408-F505 HydrophobicContact CB-CE1 4.21Å; F408-F505 HydrophobicContact CB-CZ 4.43Å; F408-F505 AromaticContact CD2-CD1 3.5Å; F408-F505 HydrophobicContact CD2-CD1 3.5Å; F408-F505 VanDerWaalsContact CD2-CD1 3.5Å; F408-F505 AromaticContact CD2-CE1 3.21Å; F408-F505 HydrophobicContact CD2-CE1 3.21Å; F408-F505 HydrophobicContact CD2-CG 4.32Å; F408-F505 AromaticContact CD2-CZ 3.83Å; F408-F505 HydrophobicContact CD2-CZ 3.83Å; F408-F505 AromaticContact CE2-CD1 3.47Å; F408-F505 HydrophobicContact CE2-CD1 3.47Å; F408-F505 VanDerWaalsContact CE2-CD1 3.47Å; F408-F505 AromaticContact CE2-CE1 3.72Å; F408-F505 HydrophobicContact CE2-CE1 3.72Å; F408-F505 HydrophobicContact CE2-CG 4.21Å; F408-F505 AromaticContact CG-CE1 3.96Å; F408-F505 HydrophobicContact CG-CE1 3.96Å; F408-F505 HydrophobicContact CZ-CD1 4.5Å; A411-F505 HydrophobicContact CB-CE1 3.86Å; V473-F505 HydrophobicContact CG1-CD2 4.45Å; V473-F505 HydrophobicContact CG1-CE2 3.75Å; V473-F505 VanDerWaalsContact O-CE2 3.3Å; V473-F505 WeakPolarHBondContact O-CE2 3.43Å; A476-F505 HydrophobicContact CB-CB 4.32Å; A476-F505 HydrophobicContact CB-CD2 3.95Å; V480-F505 HydrophobicContact CG2-CB 3.81Å; V480-F505 HydrophobicContact CG2-CD1 4.02Å; V480-F505 HydrophobicContact CG2-CG 4.24Å; T501-F505 WeakPolarHBondContact O-CB 3.19Å; T501-F505 PolarHBondContact O-N 2.82Å; S502-F505 PolarHBondContact O-N 3.22Å; D503-F505 PolarHBondContact O-N 3.41Å; F505-M508 PolarHBondContact O-N 3.42Å; F505-R509 VanDerWaalsContact O-CB 3.25Å; F505-R509 WeakPolarHBondContact O-CB 3.45Å; F505-R509 PolarHBondContact O-N 3.41Å
506	L	96.5	Very high	94.4	Very high	61 Å²	61	36.6 Å²	36.6	32%	0.319	19%	0.189	S	C	.	.	H	α-helix	trans	-61.5	-41.7	172.3	-74.2	170.5	0	0	0	112.5	F408 S502 D503 H504 R509 Q510	F408-L506 HydrophobicContact CE1-CD2 4.39Å; F408-L506 HydrophobicContact CE2-CD2 3.48Å; F408-L506 VanDerWaalsContact CE2-CD2 3.48Å; F408-L506 HydrophobicContact CE2-CG 3.93Å; F408-L506 HydrophobicContact CZ-CD2 3.41Å; F408-L506 VanDerWaalsContact CZ-CD2 3.41Å; F408-L506 HydrophobicContact CZ-CG 3.93Å; S502-L506 WeakPolarHBondContact O-CG 3.43Å; S502-L506 PolarHBondContact O-N 3.01Å; D503-L506 WeakPolarHBondContact O-CB 3.46Å; D503-L506 PolarHBondContact O-N 2.93Å; H504-L506 VanDerWaalsContact C-N 3.32Å; H504-L506 PolarHBondContact O-N 3.37Å; L506-R509 VanDerWaalsContact CD2-CZ 3.4Å; L506-R509 WeakPolarHBondContact O-CB 3.32Å; L506-R509 PolarHBondContact O-N 3.08Å; L506-Q510 PolarHBondContact O-N 3.44Å
507	M	96.5	Very high	94.8	Very high	55 Å²	55	37.2 Å²	37.2	27%	0.271	18%	0.184	S	C	.	.	H	α-helix	trans	-64.1	-45.4	176.2	-64.7	175.1	80.9	0	0	111.7	P76 I77 D503 H504 R509 Q510 H511	P76-M507 VanDerWaalsContact C-CE 3.44Å; P76-M507 HydrophobicContact CB-CE 3.81Å; P76-M507 HydrophobicContact CG-CE 4.33Å; I77-M507 HydrophobicContact CB-CE 4.29Å; I77-M507 HydrophobicContact CG1-CB 4.4Å; I77-M507 HydrophobicContact CG1-CE 3.91Å; I77-M507 HydrophobicContact CG2-CB 4.49Å; D503-M507 WeakPolarHBondContact O-CG 3.4Å; D503-M507 PolarHBondContact O-N 3.35Å; D503-M507 VanDerWaalsContact O-N 3.09Å; H504-M507 WeakPolarHBondContact O-CB 3.36Å; H504-M507 PolarHBondContact O-N 3.43Å; M507-R509 VanDerWaalsContact C-N 3.34Å; M507-R509 PolarHBondContact O-N 3.17Å; M507-Q510 PolarHBondContact O-N 3.39Å; M507-H511 WeakPolarHBondContact O-CB 3.4Å; M507-H511 PolarHBondContact O-N 3.01Å
508	M	96.5	Very high	94.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.8	-40.2	176.4	-70.5	-61.4	-68.2	0	0	111.9	I77 L106 L469 Q472 V473 A476 H504 F505 H511 W512	I77-M508 HydrophobicContact CG2-SD 3.7Å; L106-M508 HydrophobicContact CD1-SD 4.31Å; L106-M508 HydrophobicContact CD2-SD 4.34Å; L469-M508 HydrophobicContact CD1-CE 3.81Å; Q472-M508 HydrophobicContact CB-CE 3.51Å; V473-M508 HydrophobicContact CG2-CB 4.18Å; A476-M508 HydrophobicContact CB-CB 4.28Å; A476-M508 HydrophobicContact CB-CG 4.05Å; H504-M508 WeakPolarHBondContact O-CG 3.08Å; H504-M508 PolarHBondContact O-N 2.85Å; F505-M508 PolarHBondContact O-N 3.42Å; M508-H511 WeakPolarHBondContact O-CB 2.87Å; M508-H511 PolarHBondContact O-N 3.36Å; M508-W512 PolarHBondContact O-N 3.42Å
509	R	96.2	Very high	94.9	Very high	74 Å²	74	35.8 Å²	35.8	28%	0.279	18%	0.176	S	C	.	.	H	α-helix	trans	-59.2	-47.2	174.5	-173.9	-171.9	75.1	-179.5	3.9	111.4	L404 F505 L506 M507 H511 W512 T513	L404-R509 HydrophobicContact CD1-CG 4.19Å; L404-R509 HydrophobicContact CD2-CG 3.71Å; L404-R509 HydrophobicContact CG-CG 3.93Å; F505-R509 VanDerWaalsContact O-CB 3.25Å; F505-R509 WeakPolarHBondContact O-CB 3.45Å; F505-R509 PolarHBondContact O-N 3.41Å; L506-R509 VanDerWaalsContact CD2-CZ 3.4Å; L506-R509 WeakPolarHBondContact O-CB 3.32Å; L506-R509 PolarHBondContact O-N 3.08Å; M507-R509 VanDerWaalsContact C-N 3.34Å; M507-R509 PolarHBondContact O-N 3.17Å; R509-H511 VanDerWaalsContact C-N 3.34Å; R509-W512 PolarHBondContact O-N 3.19Å; R509-T513 WeakPolarHBondContact O-CB 3.35Å; R509-T513 PolarHBondContact O-N 3.44Å; R509-T513 PolarHBondContact O-OG1 3.39Å
510	Q	96	Very high	95	Very high	94 Å²	94	31.9 Å²	31.9	44%	0.439	16%	0.156	S	C	.	.	H	α-helix	trans	-63.2	-44.1	177	-170.1	62.8	34.3	0	0	110.7	L506 M507 W512 T513 D514	L506-Q510 PolarHBondContact O-N 3.44Å; M507-Q510 PolarHBondContact O-N 3.39Å; Q510-W512 VanDerWaalsContact C-N 3.35Å; Q510-W512 PolarHBondContact O-N 3.05Å; Q510-T513 PolarHBondContact O-N 3.29Å; Q510-T513 VanDerWaalsContact O-N 3.11Å; Q510-D514 PolarHBondContact NE2-OD1 2.93Å; Q510-D514 VanDerWaalsContact O-CG 3.23Å; Q510-D514 PolarHBondContact O-N 3.2Å
511	H	94.8	Very high	94.8	Very high	2 Å²	2	33 Å²	33	1%	0.009	17%	0.165	C	C	.	.	H	α-helix	trans	-58.3	-45.1	179.2	-175.5	-146.1	0	0	0	112.8	R73 I77 E109 L469 M507 M508 R509 T515	R73-H511 PolarHBondContact NH2-CD2 2.73Å; R73-H511 PolarHBondContact NH2-NE2 3.15Å; I77-H511 HydrophobicContact CD1-CB 3.86Å; E109-H511 IonicContact OE1-CE1 3.34Å; E109-H511 PolarHBondContact OE1-CE1 3.23Å; E109-H511 IonicContact OE1-NE2 3.19Å; E109-H511 IonicContact OE2-CE1 2.95Å; E109-H511 PolarHBondContact OE2-CE1 3.46Å; L469-H511 VanDerWaalsContact CD1-ND1 3.31Å; L469-H511 WeakPolarHBondContact CD1-ND1 3.44Å; M507-H511 WeakPolarHBondContact O-CB 3.4Å; M507-H511 PolarHBondContact O-N 3.01Å; M508-H511 WeakPolarHBondContact O-CB 2.87Å; M508-H511 PolarHBondContact O-N 3.36Å; R509-H511 VanDerWaalsContact C-N 3.34Å; H511-T515 PolarHBondContact O-N 3.09Å; H511-T515 PolarHBondContact O-OG1 2.91Å
512	W	96.7	Very high	94.4	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-65.4	-43.8	174	-176.2	94.6	0	0	0	111.9	L400 L404 F431 L438 L466 L469 V473 M508 R509 Q510 T515 A516	L400-W512 WeakPolarHBondContact O-CH2 3.36Å; L404-W512 HydrophobicContact CB-CZ3 4.44Å; L404-W512 HydrophobicContact CD2-CD2 4.07Å; L404-W512 HydrophobicContact CD2-CE3 3.3Å; L404-W512 HydrophobicContact CD2-CZ3 3.69Å; F431-W512 HydrophobicContact CE2-CD2 4.08Å; F431-W512 AromaticContact CE2-CE2 3.66Å; F431-W512 HydrophobicContact CE2-CE3 4.32Å; F431-W512 AromaticContact CE2-CH2 3.78Å; F431-W512 HydrophobicContact CE2-CH2 3.78Å; F431-W512 AromaticContact CE2-CZ2 3.51Å; F431-W512 HydrophobicContact CE2-CZ2 3.51Å; F431-W512 HydrophobicContact CE2-CZ3 4.18Å; F431-W512 AromaticContact CZ-CD2 3.91Å; F431-W512 HydrophobicContact CZ-CD2 3.91Å; F431-W512 AromaticContact CZ-CE2 3.57Å; F431-W512 HydrophobicContact CZ-CG 4.22Å; F431-W512 AromaticContact CZ-CZ2 3.92Å; F431-W512 HydrophobicContact CZ-CZ2 3.92Å; F431-W512 AromaticContact CZ-NE1 3.67Å; L438-W512 HydrophobicContact CD1-CH2 4.06Å; L438-W512 HydrophobicContact CD1-CZ2 4.03Å; L466-W512 HydrophobicContact CD1-CD2 4.44Å; L466-W512 HydrophobicContact CD1-CG 4.47Å; L466-W512 HydrophobicContact CD1-CZ2 4.34Å; L469-W512 HydrophobicContact CD2-CB 4.08Å; L469-W512 HydrophobicContact CG-CB 4.08Å; L469-W512 HydrophobicContact CG-CG 4.45Å; V473-W512 HydrophobicContact CG2-CB 3.71Å; V473-W512 HydrophobicContact CG2-CG 4.22Å; M508-W512 PolarHBondContact O-N 3.42Å; R509-W512 PolarHBondContact O-N 3.19Å; Q510-W512 VanDerWaalsContact C-N 3.35Å; Q510-W512 PolarHBondContact O-N 3.05Å; W512-T515 PolarHBondContact O-N 3.45Å; W512-A516 HydrophobicContact CD2-CB 4.4Å; W512-A516 HydrophobicContact CE3-CB 4.09Å; W512-A516 HydrophobicContact CH2-CB 3.98Å; W512-A516 HydrophobicContact CZ2-CB 4.26Å; W512-A516 HydrophobicContact CZ3-CB 3.88Å; W512-A516 WeakPolarHBondContact O-CB 3.47Å; W512-A516 PolarHBondContact O-N 3.43Å
513	T	96.5	Very high	94.2	Very high	14 Å²	14	33 Å²	33	9%	0.086	16%	0.163	C	C	.	.	H	α-helix	trans	-58.2	-54.3	-179.9	-56.9	0	0	0	0	110	V401 R509 Q510 T515 A516 E517	V401-T513 HydrophobicContact CG2-CG2 4.04Å; R509-T513 WeakPolarHBondContact O-CB 3.35Å; R509-T513 PolarHBondContact O-N 3.44Å; R509-T513 PolarHBondContact O-OG1 3.39Å; Q510-T513 PolarHBondContact O-N 3.29Å; Q510-T513 VanDerWaalsContact O-N 3.11Å; T513-T515 PolarHBondContact O-N 2.84Å; T513-A516 CarbonylContact O-C 3.47Å; T513-A516 PolarHBondContact O-N 3.19Å; T513-E517 HydrophobicContact CG2-CG 4.06Å; T513-E517 VanDerWaalsContact O-CG 3.24Å; T513-E517 WeakPolarHBondContact O-CG 3.47Å; T513-E517 PolarHBondContact O-N 3.15Å
514	D	93.6	Very high	93.8	Very high	47 Å²	47	30.4 Å²	30.4	25%	0.251	15%	0.149	S	C	.	.	H	α-helix	trans	-55.8	-39.3	179.2	-62.3	-17.4	0	0	0	112.5	R73 Q510 R518	R73-D514 IonicContact NH1-OD2 3.37Å; Q510-D514 PolarHBondContact NE2-OD1 2.93Å; Q510-D514 VanDerWaalsContact O-CG 3.23Å; Q510-D514 PolarHBondContact O-N 3.2Å; D514-R518 WeakPolarHBondContact O-CG 3.2Å; D514-R518 PolarHBondContact O-N 3.29Å
515	T	92.7	Very high	93.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-68.1	-43.9	177.8	-62.5	0	0	0	0	111.4	L462 L466 L469 H511 W512 T513 R518 M519	L462-T515 HydrophobicContact CD2-CG2 3.86Å; L466-T515 HydrophobicContact CD1-CG2 4.02Å; L469-T515 HydrophobicContact CD2-CG2 4.47Å; H511-T515 PolarHBondContact O-N 3.09Å; H511-T515 PolarHBondContact O-OG1 2.91Å; W512-T515 PolarHBondContact O-N 3.45Å; T513-T515 PolarHBondContact O-N 2.84Å; T515-R518 PolarHBondContact O-N 3.23Å; T515-R518 PolarHBondContact OG1-NH2 3.27Å; T515-M519 WeakPolarHBondContact O-CB 3.4Å; T515-M519 PolarHBondContact O-N 3.05Å
516	A	96	Very high	92.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-66.5	-35	175.9	0	0	0	0	0	112.4	L400 L466 W512 T513 M519 R520	L400-A516 HydrophobicContact CD1-CB 3.97Å; L400-A516 HydrophobicContact CD2-CB 3.92Å; L400-A516 HydrophobicContact CG-CB 4.09Å; L466-A516 HydrophobicContact CD1-CB 4.06Å; W512-A516 HydrophobicContact CD2-CB 4.4Å; W512-A516 HydrophobicContact CE3-CB 4.09Å; W512-A516 HydrophobicContact CH2-CB 3.98Å; W512-A516 HydrophobicContact CZ2-CB 4.26Å; W512-A516 HydrophobicContact CZ3-CB 3.88Å; W512-A516 WeakPolarHBondContact O-CB 3.47Å; W512-A516 PolarHBondContact O-N 3.43Å; T513-A516 CarbonylContact O-C 3.47Å; T513-A516 PolarHBondContact O-N 3.19Å; A516-M519 PolarHBondContact O-N 2.83Å; A516-R520 WeakPolarHBondContact O-CB 3.41Å; A516-R520 PolarHBondContact O-N 3.35Å
517	E	94.4	Very high	91.7	Very high	85 Å²	85	31.6 Å²	31.6	40%	0.397	16%	0.155	S	C	.	.	H	α-helix	trans	-70.3	-41	177.1	-63.2	-154.6	134.8	0	0	112.2	L400 T513 M519 R520 A521	L400-E517 HydrophobicContact CD2-CG 3.82Å; T513-E517 HydrophobicContact CG2-CG 4.06Å; T513-E517 VanDerWaalsContact O-CG 3.24Å; T513-E517 WeakPolarHBondContact O-CG 3.47Å; T513-E517 PolarHBondContact O-N 3.15Å; E517-M519 VanDerWaalsContact C-N 3.33Å; E517-R520 VanDerWaalsContact CD-NH2 3.34Å; E517-R520 VanDerWaalsContact CG-NH2 3.27Å; E517-R520 PolarHBondContact O-N 2.85Å; E517-R520 IonicContact OE1-NH2 3.29Å; E517-R520 PolarHBondContact OE1-NH2 3.3Å; E517-A521 PolarHBondContact O-N 3.34Å
518	R	90.2	Very high	91.1	Very high	79 Å²	79	32.3 Å²	32.3	30%	0.298	16%	0.16	S	C	.	.	H	α-helix	trans	-61.2	-43.4	172	-74.6	-176.2	-60.6	159.1	6.6	111.6	Q70 L462 D514 T515 A521 L522	Q70-R518 VanDerWaalsContact NE2-NH1 3.16Å; L462-R518 HydrophobicContact CD1-CB 4.11Å; D514-R518 WeakPolarHBondContact O-CG 3.2Å; D514-R518 PolarHBondContact O-N 3.29Å; T515-R518 PolarHBondContact O-N 3.23Å; T515-R518 PolarHBondContact OG1-NH2 3.27Å; R518-A521 PolarHBondContact O-N 3.13Å; R518-L522 PolarHBondContact O-N 2.68Å; R518-L522 VanDerWaalsContact O-N 3.13Å
519	M	93.2	Very high	90.7	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-59.6	-47.7	175.5	-173.7	176.5	-174.2	0	0	111.4	Y397 L438 L459 L462 T463 L466 T515 A516 E517 A521 L522 V523	Y397-M519 HydrophobicContact CE1-CG 4.5Å; Y397-M519 VanDerWaalsContact OH-CE 3.24Å; Y397-M519 WeakPolarHBondContact OH-CE 3.17Å; Y397-M519 WeakPolarHBondContact OH-CG 3.36Å; L438-M519 VanDerWaalsContact O-CE 3.31Å; L438-M519 WeakPolarHBondContact O-CE 3.26Å; L459-M519 HydrophobicContact CD1-CE 4.26Å; L459-M519 HydrophobicContact CD1-CG 3.62Å; L462-M519 HydrophobicContact CB-CB 4.43Å; L462-M519 HydrophobicContact CD1-CB 4.34Å; T463-M519 HydrophobicContact CG2-CE 3.21Å; L466-M519 HydrophobicContact CD2-SD 3.77Å; T515-M519 WeakPolarHBondContact O-CB 3.4Å; T515-M519 PolarHBondContact O-N 3.05Å; A516-M519 PolarHBondContact O-N 2.83Å; E517-M519 VanDerWaalsContact C-N 3.33Å; M519-A521 VanDerWaalsContact C-N 3.31Å; M519-A521 PolarHBondContact O-N 2.75Å; M519-L522 PolarHBondContact O-N 2.67Å; M519-V523 WeakPolarHBondContact O-CB 3.49Å; M519-V523 VanDerWaalsContact O-CG2 3.26Å; M519-V523 WeakPolarHBondContact O-CG2 3.35Å; M519-V523 PolarHBondContact O-N 3.26Å
520	R	93.4	Very high	90.4	Very high	31 Å²	31	31.2 Å²	31.2	12%	0.117	16%	0.162	C	C	.	.	H	α-helix	trans	-58	-41.3	174.6	-178.1	173.2	52	-168.4	-5.9	112.3	Y397 A516 E517 V523 D524	Y397-R520 HydrophobicContact CD1-CB 3.55Å; Y397-R520 HydrophobicContact CD1-CG 3.66Å; Y397-R520 HydrophobicContact CE1-CB 3.86Å; Y397-R520 HydrophobicContact CE1-CG 4.43Å; Y397-R520 HydrophobicContact CG-CG 4.28Å; A516-R520 WeakPolarHBondContact O-CB 3.41Å; A516-R520 PolarHBondContact O-N 3.35Å; E517-R520 VanDerWaalsContact CD-NH2 3.34Å; E517-R520 VanDerWaalsContact CG-NH2 3.27Å; E517-R520 PolarHBondContact O-N 2.85Å; E517-R520 IonicContact OE1-NH2 3.29Å; E517-R520 PolarHBondContact OE1-NH2 3.3Å; R520-V523 PolarHBondContact O-N 3.41Å; R520-D524 VanDerWaalsContact O-CB 3.27Å; R520-D524 WeakPolarHBondContact O-CB 3.45Å; R520-D524 PolarHBondContact O-N 2.86Å
521	A	89.1	Confident	90.1	Very high	51 Å²	51	28.4 Å²	28.4	42%	0.421	16%	0.155	S	C	.	.	H	α-helix	trans	-62.9	-42.8	179.8	0	0	0	0	0	112.4	E517 R518 M519 D524 E525	E517-A521 PolarHBondContact O-N 3.34Å; R518-A521 PolarHBondContact O-N 3.13Å; M519-A521 VanDerWaalsContact C-N 3.31Å; M519-A521 PolarHBondContact O-N 2.75Å; A521-D524 PolarHBondContact O-N 3.34Å; A521-E525 PolarHBondContact O-N 3.44Å; A521-E525 VanDerWaalsContact O-N 3.13Å
522	L	87	Confident	90	Very high	27 Å²	27	28.6 Å²	28.6	14%	0.141	16%	0.156	C	C	.	.	H	α-helix	trans	-66.4	-43	176	-69.2	174.2	0	0	0	111.9	A458 L459 L462 R518 M519 D524 E525 A526	A458-L522 HydrophobicContact CB-CD1 4.21Å; L459-L522 HydrophobicContact CB-CD1 4.11Å; L459-L522 HydrophobicContact CD1-CB 4.35Å; L459-L522 HydrophobicContact CD1-CD1 4.47Å; L462-L522 HydrophobicContact CD1-CD1 3.73Å; R518-L522 PolarHBondContact O-N 2.68Å; R518-L522 VanDerWaalsContact O-N 3.13Å; M519-L522 PolarHBondContact O-N 2.67Å; L522-D524 VanDerWaalsContact C-N 3.35Å; L522-E525 PolarHBondContact O-N 2.96Å; L522-A526 PolarHBondContact O-N 3.38Å
523	V	90.3	Very high	89.8	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-65.2	-39.3	177.8	172.9	0	0	0	0	111.1	I393 Y397 A445 L459 M519 R520 E525 A526	I393-V523 HydrophobicContact CB-CG1 4.05Å; I393-V523 HydrophobicContact CD1-CG1 3.3Å; I393-V523 HydrophobicContact CG1-CG1 3.35Å; I393-V523 HydrophobicContact CG2-CG1 3.53Å; Y397-V523 HydrophobicContact CD2-CG1 4.33Å; Y397-V523 HydrophobicContact CE2-CG1 4.09Å; Y397-V523 HydrophobicContact CE2-CG2 4.48Å; A445-V523 HydrophobicContact CB-CG1 4.28Å; A445-V523 HydrophobicContact CB-CG2 4.12Å; L459-V523 HydrophobicContact CD1-CG2 3.83Å; L459-V523 HydrophobicContact CD2-CG2 3.78Å; L459-V523 HydrophobicContact CG-CG2 4.5Å; M519-V523 WeakPolarHBondContact O-CB 3.49Å; M519-V523 VanDerWaalsContact O-CG2 3.26Å; M519-V523 WeakPolarHBondContact O-CG2 3.35Å; M519-V523 PolarHBondContact O-N 3.26Å; R520-V523 PolarHBondContact O-N 3.41Å; V523-E525 VanDerWaalsContact C-N 3.26Å; V523-E525 PolarHBondContact O-N 2.74Å; V523-A526 WeakPolarHBondContact O-CB 3.37Å; V523-A526 PolarHBondContact O-N 3.38Å
524	D	87.9	Confident	89.6	Confident	17 Å²	17	29.5 Å²	29.5	9%	0.091	16%	0.164	C	C	.	.	H	α-helix	trans	-70.1	-18.7	175.1	-75.7	-9.1	0	0	0	113.5	R520 A521 L522 R572 R579	R520-D524 VanDerWaalsContact O-CB 3.27Å; R520-D524 WeakPolarHBondContact O-CB 3.45Å; R520-D524 PolarHBondContact O-N 2.86Å; A521-D524 PolarHBondContact O-N 3.34Å; L522-D524 VanDerWaalsContact C-N 3.35Å; D524-R572 IonicContact OD1-CZ 3.43Å; D524-R572 IonicContact OD1-NH2 3.8Å; D524-R572 PolarHBondContact OD1-NH2 2.84Å; D524-R572 IonicContact OD2-CZ 2.87Å; D524-R572 VanDerWaalsContact OD2-CZ 3.24Å; D524-R572 IonicContact OD2-NH1 2.87Å; D524-R572 PolarHBondContact OD2-NH1 3.24Å; D524-R572 IonicContact OD2-NH2 3.34Å; D524-R572 PolarHBondContact OD2-NH2 3.28Å; D524-R579 PolarHBondContact O-NH2 3.36Å
525	E	80.8	Confident	89.6	Confident	66 Å²	66	28.1 Å²	28.1	31%	0.308	16%	0.159	S	C	.	.	H	α-helix	trans	-82.3	-26.9	173.5	-166.8	176.2	-165.2	0	0	111.3	R455 A521 L522 V523 V527	R455-E525 IonicContact CZ-OE1 3.87Å; R455-E525 IonicContact CZ-OE2 3.86Å; R455-E525 IonicContact NE-OE1 3.95Å; R455-E525 PolarHBondContact NE-OE1 3.08Å; R455-E525 IonicContact NE-OE2 3.09Å; R455-E525 PolarHBondContact NE-OE2 3.38Å; R455-E525 IonicContact NH2-OE1 4Å; R455-E525 PolarHBondContact NH2-OE1 3.35Å; R455-E525 IonicContact NH2-OE2 2.82Å; A521-E525 PolarHBondContact O-N 3.44Å; A521-E525 VanDerWaalsContact O-N 3.13Å; L522-E525 PolarHBondContact O-N 2.96Å; V523-E525 VanDerWaalsContact C-N 3.26Å; V523-E525 PolarHBondContact O-N 2.74Å; E525-V527 PolarHBondContact O-N 3.07Å
526	A	79.3	Confident	89.7	Confident	6 Å²	6	28.1 Å²	28.1	5%	0.05	16%	0.159	C	C	.	.	S	Bend	trans	-72	-11.5	177.5	0	0	0	0	0	113.8	K449 L450 L522 V523	K449-A526 WeakPolarHBondContact CD-O 3.32Å; K449-A526 WeakPolarHBondContact CE-O 3.32Å; K449-A526 WeakPolarHBondContact CG-O 3.48Å; L450-A526 HydrophobicContact CD2-CB 3.7Å; L450-A526 HydrophobicContact CG-CB 4.13Å; L522-A526 PolarHBondContact O-N 3.38Å; V523-A526 WeakPolarHBondContact O-CB 3.37Å; V523-A526 PolarHBondContact O-N 3.38Å
527	V	84.5	Confident	89.6	Confident	15 Å²	15	29.5 Å²	29.5	9%	0.091	17%	0.166	C	C	.	.	S	Bend	trans	-113.6	141.3	-170.7	-178.4	0	0	0	0	111.3	T390 I393 E525 A529 F532	T390-V527 HydrophobicContact CG2-CG1 3.56Å; T390-V527 WeakPolarHBondContact OG1-CG1 3.46Å; I393-V527 HydrophobicContact CD1-CG2 3.28Å; I393-V527 HydrophobicContact CG1-CG2 4.47Å; I393-V527 HydrophobicContact CG2-CG2 4.43Å; E525-V527 PolarHBondContact O-N 3.07Å; V527-A529 PolarHBondContact O-N 3.4Å; V527-F532 HydrophobicContact CG1-CB 3.94Å; V527-F532 HydrophobicContact CG1-CD2 4.42Å
528	D	84.8	Confident	89.5	Confident	70 Å²	70	30.9 Å²	30.9	37%	0.374	18%	0.175	S	C	.	.			trans	-63.3	132.3	172.4	175.6	-62.5	0	0	0	110.6	N530 A531 F532	D528-N530 PolarHBondContact O-N 3.34Å; D528-N530 VanDerWaalsContact OD1-CA 3.29Å; D528-N530 WeakPolarHBondContact OD1-CA 3.38Å; D528-N530 VanDerWaalsContact OD1-CB 3.26Å; D528-N530 WeakPolarHBondContact OD1-CB 3.26Å; D528-N530 PolarHBondContact OD1-N 2.95Å; D528-A531 HydrophobicContact CB-CB 3.91Å; D528-A531 PolarHBondContact O-N 3.01Å; D528-A531 PolarHBondContact OD1-N 2.91Å; D528-F532 WeakPolarHBondContact O-CB 3.48Å; D528-F532 PolarHBondContact O-N 3.22Å
529	A	88.2	Confident	89.6	Confident	16 Å²	16	27.3 Å²	27.3	13%	0.132	16%	0.162	C	C	.	.	H	α-helix	trans	-61.8	-41.4	-177.1	0	0	0	0	0	113.5	V527 F532 I533 L576 E580 I645	V527-A529 PolarHBondContact O-N 3.4Å; A529-F532 PolarHBondContact O-N 3.04Å; A529-I533 WeakPolarHBondContact O-CD1 3.47Å; A529-I533 VanDerWaalsContact O-CG1 3.22Å; A529-I533 WeakPolarHBondContact O-CG1 3.42Å; A529-I533 PolarHBondContact O-N 3Å; A529-L576 HydrophobicContact CB-CD1 4.26Å; A529-L576 HydrophobicContact CB-CD2 4.04Å; A529-L576 HydrophobicContact CB-CG 4.41Å; A529-E580 HydrophobicContact CB-CG 4.34Å; A529-I645 HydrophobicContact CB-CG2 4.47Å
530	N	88.7	Confident	89.7	Confident	36 Å²	36	27.3 Å²	27.3	19%	0.193	16%	0.162	C	C	.	.	H	α-helix	trans	-66.2	-44.8	175.9	-73.6	-48.1	0	0	0	111.2	D528 F532 I533 A534 I645 S646	D528-N530 PolarHBondContact O-N 3.34Å; D528-N530 VanDerWaalsContact OD1-CA 3.29Å; D528-N530 WeakPolarHBondContact OD1-CA 3.38Å; D528-N530 VanDerWaalsContact OD1-CB 3.26Å; D528-N530 WeakPolarHBondContact OD1-CB 3.26Å; D528-N530 PolarHBondContact OD1-N 2.95Å; N530-F532 VanDerWaalsContact C-N 3.31Å; N530-F532 PolarHBondContact O-N 3.3Å; N530-I533 PolarHBondContact O-N 3Å; N530-A534 WeakPolarHBondContact O-CB 3.25Å; N530-A534 PolarHBondContact O-N 2.97Å; N530-I645 VanDerWaalsContact OD1-CB 3.3Å; N530-I645 WeakPolarHBondContact OD1-CB 3.47Å; N530-I645 WeakPolarHBondContact OD1-CG2 3.35Å; N530-S646 PolarHBondContact OD1-N 3.26Å
531	A	89.5	Confident	89.8	Confident	35 Å²	35	30 Å²	30	29%	0.289	18%	0.179	S	C	.	.	H	α-helix	trans	-61.8	-42	177.5	0	0	0	0	0	111.1	T390 D528 A534 A535	T390-A531 HydrophobicContact CG2-CB 3.97Å; T390-A531 WeakPolarHBondContact CG2-O 3.43Å; D528-A531 HydrophobicContact CB-CB 3.91Å; D528-A531 PolarHBondContact O-N 3.01Å; D528-A531 PolarHBondContact OD1-N 2.91Å; A531-A534 PolarHBondContact O-N 3.43Å; A531-A535 WeakPolarHBondContact O-CB 3.45Å; A531-A535 PolarHBondContact O-N 3.18Å
532	F	92.4	Very high	90.1	Very high	6 Å²	6	31.2 Å²	31.2	3%	0.026	17%	0.172	C	C	.	.	H	α-helix	trans	-62.1	-45.3	175.8	-177.1	-91	0	0	0	112.1	I393 A394 V527 D528 A529 N530 A534 A535 Q536 R572 L576	I393-F532 HydrophobicContact CG2-CE2 4.24Å; A394-F532 HydrophobicContact CB-CD2 4.25Å; A394-F532 HydrophobicContact CB-CE2 4.02Å; V527-F532 HydrophobicContact CG1-CB 3.94Å; V527-F532 HydrophobicContact CG1-CD2 4.42Å; D528-F532 WeakPolarHBondContact O-CB 3.48Å; D528-F532 PolarHBondContact O-N 3.22Å; A529-F532 PolarHBondContact O-N 3.04Å; N530-F532 VanDerWaalsContact C-N 3.31Å; N530-F532 PolarHBondContact O-N 3.3Å; F532-A534 PolarHBondContact O-N 3.38Å; F532-A535 PolarHBondContact O-N 3.38Å; F532-Q536 HydrophobicContact CD1-CG 3.99Å; F532-Q536 HydrophobicContact CE1-CG 3.56Å; F532-Q536 HydrophobicContact CZ-CG 3.89Å; F532-Q536 WeakPolarHBondContact O-CG 3.48Å; F532-Q536 PolarHBondContact O-N 2.99Å; F532-R572 HydrophobicContact CE1-CB 4.49Å; F532-R572 HydrophobicContact CZ-CB 4.48Å; F532-L576 HydrophobicContact CB-CD2 4.18Å; F532-L576 HydrophobicContact CD1-CD2 3.47Å; F532-L576 VanDerWaalsContact CD1-CD2 3.47Å; F532-L576 HydrophobicContact CE1-CD2 4.23Å; F532-L576 HydrophobicContact CG-CD2 4.15Å
533	I	93.7	Very high	90.4	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-64.2	-42.2	178.5	-69.3	166.4	0	0	0	110.9	A529 N530 A535 Q536 E537 V573 L576 I577 I638 I641 K642 I645	A529-I533 WeakPolarHBondContact O-CD1 3.47Å; A529-I533 VanDerWaalsContact O-CG1 3.22Å; A529-I533 WeakPolarHBondContact O-CG1 3.42Å; A529-I533 PolarHBondContact O-N 3Å; N530-I533 PolarHBondContact O-N 3Å; I533-A535 VanDerWaalsContact C-N 3.33Å; I533-A535 PolarHBondContact O-N 3.36Å; I533-Q536 PolarHBondContact O-N 3.43Å; I533-E537 WeakPolarHBondContact O-CB 3.24Å; I533-E537 PolarHBondContact O-N 3.18Å; I533-V573 HydrophobicContact CG1-CG1 4.41Å; I533-L576 HydrophobicContact CD1-CD2 4.05Å; I533-L576 HydrophobicContact CG1-CD2 3.78Å; I533-I577 HydrophobicContact CD1-CG1 4.44Å; I533-I638 HydrophobicContact CG2-CG2 4.22Å; I533-I641 HydrophobicContact CD1-CG2 3.99Å; I533-K642 HydrophobicContact CG2-CB 4.42Å; I533-I645 HydrophobicContact CD1-CD1 3.25Å
534	A	92.7	Very high	90.7	Very high	32 Å²	32	30.6 Å²	30.6	26%	0.264	17%	0.17	S	C	.	.	H	α-helix	trans	-60.6	-43	175	0	0	0	0	0	111.6	N530 A531 F532 Q536 E537 I538	N530-A534 WeakPolarHBondContact O-CB 3.25Å; N530-A534 PolarHBondContact O-N 2.97Å; A531-A534 PolarHBondContact O-N 3.43Å; F532-A534 PolarHBondContact O-N 3.38Å; A534-Q536 PolarHBondContact O-N 3.32Å; A534-E537 PolarHBondContact O-N 3.23Å; A534-I538 WeakPolarHBondContact O-CG1 3.23Å; A534-I538 PolarHBondContact O-N 3.46Å
535	A	92.3	Very high	91.1	Very high	18 Å²	18	31.5 Å²	31.5	15%	0.149	18%	0.18	C	C	.	.	H	α-helix	trans	-63.7	-39	175.5	0	0	0	0	0	112.5	T390 A394 A531 F532 I533 G539	T390-A535 HydrophobicContact CG2-CB 4Å; A394-A535 HydrophobicContact CB-CB 3.74Å; A531-A535 WeakPolarHBondContact O-CB 3.45Å; A531-A535 PolarHBondContact O-N 3.18Å; F532-A535 PolarHBondContact O-N 3.38Å; I533-A535 VanDerWaalsContact C-N 3.33Å; I533-A535 PolarHBondContact O-N 3.36Å; A535-G539 PolarHBondContact O-N 3.28Å
536	Q	95.2	Very high	91.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-65.4	-43.1	174	-69.5	-61.7	-16.4	0	0	112.2	A394 F532 I533 A534 I538 G539 M540 V573	A394-Q536 VanDerWaalsContact CA-NE2 3.35Å; A394-Q536 HydrophobicContact CB-CG 4.48Å; A394-Q536 PolarHBondContact O-NE2 3.42Å; F532-Q536 HydrophobicContact CD1-CG 3.99Å; F532-Q536 HydrophobicContact CE1-CG 3.56Å; F532-Q536 HydrophobicContact CZ-CG 3.89Å; F532-Q536 WeakPolarHBondContact O-CG 3.48Å; F532-Q536 PolarHBondContact O-N 2.99Å; I533-Q536 PolarHBondContact O-N 3.43Å; A534-Q536 PolarHBondContact O-N 3.32Å; Q536-I538 PolarHBondContact O-N 3.27Å; Q536-G539 PolarHBondContact O-N 2.96Å; Q536-M540 WeakPolarHBondContact O-CG 3.4Å; Q536-M540 PolarHBondContact O-N 3.48Å; Q536-V573 HydrophobicContact CB-CG2 3.6Å; Q536-V573 HydrophobicContact CG-CG2 3.93Å
537	E	94.8	Very high	92.5	Very high	30 Å²	30	31.3 Å²	31.3	14%	0.14	18%	0.175	C	C	.	.	H	α-helix	trans	-57.6	-48.5	176.1	-177.6	180	-159.7	0	0	111.3	I533 A534 G539 M540 L541 I638 K642	I533-E537 WeakPolarHBondContact O-CB 3.24Å; I533-E537 PolarHBondContact O-N 3.18Å; A534-E537 PolarHBondContact O-N 3.23Å; E537-G539 VanDerWaalsContact C-N 3.31Å; E537-G539 PolarHBondContact O-N 3.41Å; E537-M540 PolarHBondContact O-N 3Å; E537-M540 VanDerWaalsContact O-N 3.11Å; E537-L541 WeakPolarHBondContact O-CG 3.32Å; E537-L541 PolarHBondContact O-N 2.87Å; E537-I638 HydrophobicContact CB-CG2 4.1Å; E537-I638 HydrophobicContact CG-CG2 4.34Å; E537-K642 IonicContact OE1-NZ 3.59Å; E537-K642 IonicContact OE2-NZ 2.7Å; E537-K642 PolarHBondContact OE2-NZ 2.84Å
538	I	92.3	Very high	93	Very high	114 Å²	114	33.3 Å²	33.3	59%	0.585	18%	0.183	S	C	*	.	H	α-helix	trans	-58.6	-44.8	175.4	-67.1	165.8	0	0	0	110.7	A534 Q536 M540 L541 R542	A534-I538 WeakPolarHBondContact O-CG1 3.23Å; A534-I538 PolarHBondContact O-N 3.46Å; Q536-I538 PolarHBondContact O-N 3.27Å; I538-M540 VanDerWaalsContact C-N 3.29Å; I538-M540 PolarHBondContact O-N 3.04Å; I538-L541 PolarHBondContact O-N 3.13Å; I538-R542 PolarHBondContact O-N 3.37Å
539	G	91.5	Very high	93.5	Very high	3 Å²	3	34 Å²	34	3%	0.031	19%	0.187	C	C	.	.	H	α-helix	trans	-58.4	-39.9	175.6	0	0	0	0	0	113	A535 Q536 E537 R542 D543	A535-G539 PolarHBondContact O-N 3.28Å; Q536-G539 PolarHBondContact O-N 2.96Å; E537-G539 VanDerWaalsContact C-N 3.31Å; E537-G539 PolarHBondContact O-N 3.41Å; G539-R542 PolarHBondContact O-N 2.73Å; G539-D543 PolarHBondContact O-N 3.11Å
540	M	95.8	Very high	93.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-72.2	-34.9	179.1	-67.2	170.3	78	0	0	112.7	Q536 E537 I538 D543 S544 I566 R569 A570 L634 L635 I638	Q536-M540 WeakPolarHBondContact O-CG 3.4Å; Q536-M540 PolarHBondContact O-N 3.48Å; E537-M540 PolarHBondContact O-N 3Å; E537-M540 VanDerWaalsContact O-N 3.11Å; I538-M540 VanDerWaalsContact C-N 3.29Å; I538-M540 PolarHBondContact O-N 3.04Å; M540-D543 PolarHBondContact O-N 2.76Å; M540-S544 WeakPolarHBondContact O-CB 3.46Å; M540-S544 PolarHBondContact O-N 3.05Å; M540-S544 PolarHBondContact O-OG 3.48Å; M540-I566 HydrophobicContact CE-CG2 3.63Å; M540-I566 WeakPolarHBondContact CE-O 3.42Å; M540-R569 HydrophobicContact CE-CB 4.43Å; M540-R569 HydrophobicContact CG-CB 3.44Å; M540-R569 VanDerWaalsContact CG-CB 3.44Å; M540-R569 VanDerWaalsContact CG-CD 3.48Å; M540-R569 HydrophobicContact CG-CG 4.1Å; M540-R569 HydrophobicContact SD-CB 3.63Å; M540-A570 HydrophobicContact CE-CB 3.81Å; M540-L634 HydrophobicContact CE-CD2 3.17Å; M540-L635 HydrophobicContact CB-CD2 3.97Å; M540-I638 HydrophobicContact CE-CD1 3.29Å; M540-I638 HydrophobicContact SD-CD1 3.26Å; M540-I638 WeakPolarHBondContact SD-CD1 3.44Å
541	L	95.9	Very high	94	Very high	89 Å²	89	32.8 Å²	32.8	47%	0.466	18%	0.18	S	C	.	.	H	α-helix	trans	-63.5	-43.1	171.1	-70.5	170.1	0	0	0	111.1	E537 I538 S544 A545 L635	E537-L541 WeakPolarHBondContact O-CG 3.32Å; E537-L541 PolarHBondContact O-N 2.87Å; I538-L541 PolarHBondContact O-N 3.13Å; L541-S544 WeakPolarHBondContact O-CB 3.38Å; L541-S544 PolarHBondContact O-N 3.09Å; L541-A545 PolarHBondContact O-N 3.49Å; L541-L635 HydrophobicContact CD2-CD1 3.73Å; L541-L635 HydrophobicContact CD2-CD2 4.29Å
542	R	94	Very high	94.1	Very high	75 Å²	75	35.2 Å²	35.2	28%	0.283	20%	0.2	S	C	.	.	H	α-helix	trans	-62.2	-45	174.6	-175.3	179.2	61.9	-166.9	-10.7	112	E395 I538 G539 S544 A545 R546	E395-R542 IonicContact OE1-CZ 3.73Å; E395-R542 VanDerWaalsContact OE1-CZ 3.22Å; E395-R542 IonicContact OE1-NH1 3.05Å; E395-R542 PolarHBondContact OE1-NH1 2.87Å; E395-R542 IonicContact OE1-NH2 2.6Å; E395-R542 PolarHBondContact OE1-NH2 3.38Å; I538-R542 PolarHBondContact O-N 3.37Å; G539-R542 PolarHBondContact O-N 2.73Å; R542-S544 VanDerWaalsContact C-N 3.29Å; R542-S544 PolarHBondContact O-N 2.78Å; R542-A545 PolarHBondContact O-N 3.18Å; R542-R546 PolarHBondContact O-N 2.72Å
543	D	94.8	Very high	94.2	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-68.6	-29.1	177.9	-67.6	-35.5	0	0	0	111.7	G539 M540 R546 T547 R565 I566 R569	G539-D543 PolarHBondContact O-N 3.11Å; M540-D543 PolarHBondContact O-N 2.76Å; D543-R546 PolarHBondContact O-N 3.03Å; D543-R546 IonicContact OD1-NH1 3.27Å; D543-T547 PolarHBondContact O-N 3.24Å; D543-T547 PolarHBondContact O-OG1 3.05Å; D543-R565 HydrophobicContact CB-CB 4.38Å; D543-R565 WeakPolarHBondContact OD2-CB 3.27Å; D543-I566 HydrophobicContact CB-CD1 4.36Å; D543-I566 HydrophobicContact CB-CG1 3.67Å; D543-R569 IonicContact OD2-CZ 2.78Å; D543-R569 IonicContact OD2-NE 3.65Å; D543-R569 PolarHBondContact OD2-NE 3.02Å
544	S	96.2	Very high	94.1	Very high	13 Å²	13	43.2 Å²	43.2	9%	0.091	25%	0.252	C	S	.	.	H	α-helix	trans	-64.5	-45.8	170.9	-60.2	0	0	0	0	111.6	M540 L541 R542 R546 T547 E548 N631	M540-S544 WeakPolarHBondContact O-CB 3.46Å; M540-S544 PolarHBondContact O-N 3.05Å; M540-S544 PolarHBondContact O-OG 3.48Å; L541-S544 WeakPolarHBondContact O-CB 3.38Å; L541-S544 PolarHBondContact O-N 3.09Å; R542-S544 VanDerWaalsContact C-N 3.29Å; R542-S544 PolarHBondContact O-N 2.78Å; S544-R546 VanDerWaalsContact C-N 3.33Å; S544-R546 PolarHBondContact O-N 3.3Å; S544-T547 WeakPolarHBondContact O-CB 3.44Å; S544-T547 PolarHBondContact O-N 3.35Å; S544-T547 VanDerWaalsContact O-N 3.11Å; S544-E548 PolarHBondContact O-N 2.76Å; S544-N631 WeakPolarHBondContact CB-ND2 3.47Å; S544-N631 PolarHBondContact OG-ND2 3.17Å
545	A	95.8	Very high	94.1	Very high	37 Å²	37	43.5 Å²	43.5	31%	0.306	25%	0.252	S	S	.	.	H	α-helix	trans	-62.3	-39.5	175.2	0	0	0	0	0	112.1	L541 R542 T547 E548 N549	L541-A545 PolarHBondContact O-N 3.49Å; R542-A545 PolarHBondContact O-N 3.18Å; A545-T547 VanDerWaalsContact C-N 3.28Å; A545-T547 PolarHBondContact O-N 2.88Å; A545-E548 PolarHBondContact O-N 3.12Å; A545-N549 PolarHBondContact O-N 2.82Å
546	R	94.4	Very high	94.2	Very high	68 Å²	68	45.4 Å²	45.4	26%	0.257	26%	0.262	S	S	.	.	H	α-helix	trans	-62.1	-36	172.6	-75.3	178.4	169.6	158.5	-6.5	112.7	D320 R542 D543 S544 S550	D320-R546 IonicContact OD2-CZ 2.75Å; D320-R546 IonicContact OD2-NE 2.95Å; D320-R546 IonicContact OD2-NH2 2.68Å; D320-R546 PolarHBondContact OD2-NH2 2.94Å; R542-R546 PolarHBondContact O-N 2.72Å; D543-R546 PolarHBondContact O-N 3.03Å; D543-R546 IonicContact OD1-NH1 3.27Å; S544-R546 VanDerWaalsContact C-N 3.33Å; S544-R546 PolarHBondContact O-N 3.3Å; R546-S550 WeakPolarHBondContact O-CB 3.4Å; R546-S550 PolarHBondContact O-N 3.06Å; R546-S550 PolarHBondContact O-OG 3.19Å
547	T	94.9	Very high	94.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64.7	-46.6	174.9	-46.7	0	0	0	0	110.3	D543 S544 A545 N549 S550 I551 V559 S562 T563 W627	D543-T547 PolarHBondContact O-N 3.24Å; D543-T547 PolarHBondContact O-OG1 3.05Å; S544-T547 WeakPolarHBondContact O-CB 3.44Å; S544-T547 PolarHBondContact O-N 3.35Å; S544-T547 VanDerWaalsContact O-N 3.11Å; A545-T547 VanDerWaalsContact C-N 3.28Å; A545-T547 PolarHBondContact O-N 2.88Å; T547-N549 PolarHBondContact O-N 2.76Å; T547-S550 CarbonylContact O-C 3.54Å; T547-S550 WeakPolarHBondContact O-CA 3.35Å; T547-S550 WeakPolarHBondContact O-CB 3.43Å; T547-S550 PolarHBondContact O-N 3.23Å; T547-I551 HydrophobicContact CG2-CD1 4.33Å; T547-I551 WeakPolarHBondContact O-CG1 3.45Å; T547-I551 PolarHBondContact O-N 3.39Å; T547-V559 HydrophobicContact CG2-CG1 4.21Å; T547-V559 HydrophobicContact CG2-CG2 4.37Å; T547-S562 WeakPolarHBondContact CA-OG 3.3Å; T547-S562 VanDerWaalsContact OG1-CB 3.3Å; T547-S562 WeakPolarHBondContact OG1-CB 3.3Å; T547-S562 PolarHBondContact OG1-OG 2.8Å; T547-T563 HydrophobicContact CG2-CG2 3.73Å; T547-W627 VanDerWaalsContact CB-CH2 3.4Å; T547-W627 HydrophobicContact CG2-CD2 4.41Å; T547-W627 HydrophobicContact CG2-CE3 4.4Å; T547-W627 HydrophobicContact CG2-CH2 3.5Å; T547-W627 VanDerWaalsContact CG2-CH2 3.5Å; T547-W627 HydrophobicContact CG2-CZ2 3.48Å; T547-W627 VanDerWaalsContact CG2-CZ2 3.48Å; T547-W627 HydrophobicContact CG2-CZ3 3.96Å
548	E	94.8	Very high	94	Very high	56 Å²	56	48.9 Å²	48.9	26%	0.262	29%	0.288	S	S	.	.	H	α-helix	trans	-59.4	-43.6	176.4	-69.3	-68.8	170.5	0	0	112.3	S544 A545 S550 I551 A552 W627 R628	S544-E548 PolarHBondContact O-N 2.76Å; A545-E548 PolarHBondContact O-N 3.12Å; E548-S550 VanDerWaalsContact C-N 3.28Å; E548-S550 PolarHBondContact O-N 3.33Å; E548-I551 WeakPolarHBondContact O-CB 2.96Å; E548-I551 PolarHBondContact O-N 2.91Å; E548-A552 PolarHBondContact O-N 3.37Å; E548-W627 HydrophobicContact CG-CZ3 4.44Å; E548-R628 WeakPolarHBondContact OE1-CD 3.35Å; E548-R628 WeakPolarHBondContact OE1-CG 3.49Å; E548-R628 IonicContact OE1-CZ 2.78Å; E548-R628 IonicContact OE1-NE 3.78Å; E548-R628 PolarHBondContact OE1-NE 2.92Å; E548-R628 IonicContact OE1-NH2 3.57Å; E548-R628 IonicContact OE2-CZ 3.59Å; E548-R628 IonicContact OE2-NE 3.23Å; E548-R628 PolarHBondContact OE2-NE 3.35Å; E548-R628 IonicContact OE2-NH2 2.91Å; E548-R628 PolarHBondContact OE2-NH2 3.11Å
549	N	94.8	Very high	94.1	Very high	85 Å²	85	43.5 Å²	43.5	46%	0.455	26%	0.26	S	S	.	.	H	α-helix	trans	-61.8	-37.8	174.6	-68.9	-14.7	0	0	0	111.8	A545 T547 A552 A553	A545-N549 PolarHBondContact O-N 2.82Å; T547-N549 PolarHBondContact O-N 2.76Å; N549-A552 PolarHBondContact O-N 2.77Å; N549-A553 WeakPolarHBondContact O-CB 2.98Å; N549-A553 PolarHBondContact O-N 2.8Å
550	S	94.6	Very high	94.3	Very high	19 Å²	19	46.6 Å²	46.6	13%	0.133	28%	0.279	C	S	.	.	H	α-helix	trans	-69.4	-35.9	176.9	-57.4	0	0	0	0	112.2	R546 T547 E548 A553 I554 S555	R546-S550 WeakPolarHBondContact O-CB 3.4Å; R546-S550 PolarHBondContact O-N 3.06Å; R546-S550 PolarHBondContact O-OG 3.19Å; T547-S550 CarbonylContact O-C 3.54Å; T547-S550 WeakPolarHBondContact O-CA 3.35Å; T547-S550 WeakPolarHBondContact O-CB 3.43Å; T547-S550 PolarHBondContact O-N 3.23Å; E548-S550 VanDerWaalsContact C-N 3.28Å; E548-S550 PolarHBondContact O-N 3.33Å; S550-A553 CarbonylContact O-C 3.57Å; S550-A553 PolarHBondContact O-N 3.13Å; S550-I554 PolarHBondContact O-N 2.72Å; S550-S555 PolarHBondContact O-N 3.04Å
551	I	92.8	Very high	94.1	Very high	8 Å²	8	52.1 Å²	52.1	4%	0.041	31%	0.305	C	S	.	.	H	α-helix	trans	-63.1	-49	172.4	-66.7	168.1	0	0	0	109.8	T547 E548 A553 I554 V559 L614 H624 W627	T547-I551 HydrophobicContact CG2-CD1 4.33Å; T547-I551 WeakPolarHBondContact O-CG1 3.45Å; T547-I551 PolarHBondContact O-N 3.39Å; E548-I551 WeakPolarHBondContact O-CB 2.96Å; E548-I551 PolarHBondContact O-N 2.91Å; I551-A553 PolarHBondContact O-N 2.76Å; I551-I554 PolarHBondContact O-N 3.21Å; I551-V559 HydrophobicContact CG1-CG2 3.95Å; I551-L614 HydrophobicContact CD1-CD1 4.21Å; I551-L614 HydrophobicContact CD1-CD2 3.54Å; I551-L614 HydrophobicContact CD1-CG 4.46Å; I551-L614 HydrophobicContact CG1-CD1 4.21Å; I551-L614 HydrophobicContact CG1-CD2 3.72Å; I551-L614 HydrophobicContact CG1-CG 4.36Å; I551-H624 WeakPolarHBondContact CG2-CE1 3.35Å; I551-H624 WeakPolarHBondContact CG2-NE2 2.97Å; I551-W627 HydrophobicContact CD1-CE3 4.15Å; I551-W627 HydrophobicContact CD1-CZ3 4.33Å
552	A	93.2	Very high	94	Very high	85 Å²	85	48.2 Å²	48.2	70%	0.702	28%	0.284	S	S	*	.	H	α-helix	trans	-61.2	-34.3	178.4	0	0	0	0	0	112.5	E548 N549 I554	E548-A552 PolarHBondContact O-N 3.37Å; N549-A552 PolarHBondContact O-N 2.77Å; A552-I554 VanDerWaalsContact C-N 3.33Å
553	A	93.7	Very high	94.1	Very high	73 Å²	73	45 Å²	45	60%	0.603	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	0.3	176.1	0	0	0	0	0	114.3	N549 S550 I551 S555	N549-A553 WeakPolarHBondContact O-CB 2.98Å; N549-A553 PolarHBondContact O-N 2.8Å; S550-A553 CarbonylContact O-C 3.57Å; S550-A553 PolarHBondContact O-N 3.13Å; I551-A553 PolarHBondContact O-N 2.76Å; A553-S555 PolarHBondContact O-N 3.08Å
554	I	91.4	Very high	94.2	Very high	101 Å²	101	47.8 Å²	47.8	52%	0.518	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	34.2	-177.5	-54.2	170	0	0	0	111.5	S550 I551 A552 I618	S550-I554 PolarHBondContact O-N 2.72Å; I551-I554 PolarHBondContact O-N 3.21Å; A552-I554 VanDerWaalsContact C-N 3.33Å; I554-I618 HydrophobicContact CG2-CG2 3.7Å
555	S	93.5	Very high	94.1	Very high	38 Å²	38	51.7 Å²	51.7	27%	0.266	30%	0.303	S	S	.	.			trans	-96.3	101.4	-179.4	-179.2	0	0	0	0	111.4	S550 A553 T557 G558 V559	S550-S555 PolarHBondContact O-N 3.04Å; A553-S555 PolarHBondContact O-N 3.08Å; S555-T557 PolarHBondContact OG-OG1 3.24Å; S555-G558 PolarHBondContact O-N 3.37Å; S555-G558 PolarHBondContact OG-N 3.41Å; S555-V559 WeakPolarHBondContact O-CG2 3.44Å; S555-V559 PolarHBondContact O-N 3.09Å
556	T	93.2	Very high	94.2	Very high	58 Å²	58	49.9 Å²	49.9	36%	0.356	29%	0.288	S	S	.	.	H	α-helix	trans	-66	-38.5	179	52.6	0	0	0	0	112.7	V559 V560 V615 I618	T556-V559 PolarHBondContact O-N 2.86Å; T556-V560 WeakPolarHBondContact O-CG2 3.08Å; T556-V560 PolarHBondContact O-N 2.76Å; T556-V560 VanDerWaalsContact O-N 3.13Å; T556-V615 HydrophobicContact CG2-CG1 4.32Å; T556-I618 HydrophobicContact CG2-CD1 4.18Å
557	T	93.2	Very high	94.3	Very high	91 Å²	91	47.2 Å²	47.2	56%	0.558	28%	0.281	S	S	*	.	H	α-helix	trans	-65	-43.9	177	53	0	0	0	0	111.2	S555 V559 V560 E561	S555-T557 PolarHBondContact OG-OG1 3.24Å; T557-V559 VanDerWaalsContact C-N 3.32Å; T557-V559 PolarHBondContact O-N 3.25Å; T557-V560 PolarHBondContact O-N 3.3Å; T557-E561 WeakPolarHBondContact O-CG 3.39Å; T557-E561 PolarHBondContact O-N 2.93Å
558	G	93	Very high	94.4	Very high	13 Å²	13	50.4 Å²	50.4	13%	0.134	29%	0.293	C	S	.	.	H	α-helix	trans	-60.2	-40.1	176.9	0	0	0	0	0	112.8	S555 S562	S555-G558 PolarHBondContact O-N 3.37Å; S555-G558 PolarHBondContact OG-N 3.41Å; G558-S562 WeakPolarHBondContact O-CB 3.44Å; G558-S562 PolarHBondContact O-N 2.87Å; G558-S562 PolarHBondContact O-OG 3.07Å
559	V	94.7	Very high	94.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.4	-46.4	174.1	171.5	0	0	0	0	111.4	T547 I551 S555 T556 T557 E561 S562 T563 L614 V615 I618	T547-V559 HydrophobicContact CG2-CG1 4.21Å; T547-V559 HydrophobicContact CG2-CG2 4.37Å; I551-V559 HydrophobicContact CG1-CG2 3.95Å; S555-V559 WeakPolarHBondContact O-CG2 3.44Å; S555-V559 PolarHBondContact O-N 3.09Å; T556-V559 PolarHBondContact O-N 2.86Å; T557-V559 VanDerWaalsContact C-N 3.32Å; T557-V559 PolarHBondContact O-N 3.25Å; V559-E561 PolarHBondContact O-N 2.5Å; V559-S562 PolarHBondContact O-OG 2.74Å; V559-T563 HydrophobicContact CG1-CG2 4.34Å; V559-T563 WeakPolarHBondContact O-CB 3.48Å; V559-T563 VanDerWaalsContact O-CG2 3.25Å; V559-T563 WeakPolarHBondContact O-CG2 3.31Å; V559-T563 PolarHBondContact O-N 3.11Å; V559-T563 PolarHBondContact O-OG1 2.88Å; V559-L614 HydrophobicContact CG1-CD2 3.57Å; V559-L614 HydrophobicContact CG1-CG 4.15Å; V559-L614 HydrophobicContact CG2-CD2 4.27Å; V559-V615 HydrophobicContact CB-CG2 4.24Å; V559-V615 HydrophobicContact CG1-CG2 3.86Å; V559-I618 HydrophobicContact CG2-CD1 4.24Å
560	V	95	Very high	94.6	Very high	69 Å²	69	44.3 Å²	44.3	42%	0.418	26%	0.261	S	S	.	.	H	α-helix	trans	-62.2	-45.9	178.9	174.5	0	0	0	0	111.3	T556 T557 T563 T564 V615	T556-V560 WeakPolarHBondContact O-CG2 3.08Å; T556-V560 PolarHBondContact O-N 2.76Å; T556-V560 VanDerWaalsContact O-N 3.13Å; T557-V560 PolarHBondContact O-N 3.3Å; V560-T563 PolarHBondContact O-OG1 3.34Å; V560-T564 WeakPolarHBondContact O-CB 3.15Å; V560-T564 PolarHBondContact O-N 3.37Å; V560-T564 PolarHBondContact O-OG1 3.4Å; V560-V615 HydrophobicContact CG2-CG1 4.41Å; V560-V615 HydrophobicContact CG2-CG2 3.55Å
561	E	92.8	Very high	94.7	Very high	116 Å²	116	46.6 Å²	46.6	54%	0.542	27%	0.272	S	S	.	.	H	α-helix	trans	-63.9	-48.2	-177.6	-73.2	178.6	-171.3	0	0	112.3	T557 V559 T564 R565	T557-E561 WeakPolarHBondContact O-CG 3.39Å; T557-E561 PolarHBondContact O-N 2.93Å; V559-E561 PolarHBondContact O-N 2.5Å; E561-T564 PolarHBondContact O-N 2.9Å; E561-R565 WeakPolarHBondContact O-CG 3.38Å; E561-R565 PolarHBondContact O-N 2.95Å
562	S	93.9	Very high	94.7	Very high	6 Å²	6	46.7 Å²	46.7	4%	0.042	27%	0.272	C	S	.	.	H	α-helix	trans	-66.2	-45.9	-179.3	51.9	0	0	0	0	112.2	T547 G558 V559 T564 R565 I566	T547-S562 WeakPolarHBondContact CA-OG 3.3Å; T547-S562 VanDerWaalsContact OG1-CB 3.3Å; T547-S562 WeakPolarHBondContact OG1-CB 3.3Å; T547-S562 PolarHBondContact OG1-OG 2.8Å; G558-S562 WeakPolarHBondContact O-CB 3.44Å; G558-S562 PolarHBondContact O-N 2.87Å; G558-S562 PolarHBondContact O-OG 3.07Å; V559-S562 PolarHBondContact O-OG 2.74Å; S562-T564 VanDerWaalsContact C-N 3.33Å; S562-T564 PolarHBondContact O-N 2.86Å; S562-R565 WeakPolarHBondContact O-CB 3.19Å; S562-R565 PolarHBondContact O-N 3.04Å; S562-R565 VanDerWaalsContact O-N 3.12Å; S562-I566 WeakPolarHBondContact O-CG1 3.44Å; S562-I566 PolarHBondContact O-N 2.88Å
563	T	96.2	Very high	94.8	Very high	8 Å²	8	42.6 Å²	42.6	5%	0.049	24%	0.238	C	C	.	.	H	α-helix	trans	-66.8	-33.4	176.9	57.6	0	0	0	0	112.9	T547 V559 V560 R565 I566 A567 A611 W627	T547-T563 HydrophobicContact CG2-CG2 3.73Å; V559-T563 HydrophobicContact CG1-CG2 4.34Å; V559-T563 WeakPolarHBondContact O-CB 3.48Å; V559-T563 VanDerWaalsContact O-CG2 3.25Å; V559-T563 WeakPolarHBondContact O-CG2 3.31Å; V559-T563 PolarHBondContact O-N 3.11Å; V559-T563 PolarHBondContact O-OG1 2.88Å; V560-T563 PolarHBondContact O-OG1 3.34Å; T563-R565 VanDerWaalsContact C-N 3.35Å; T563-I566 PolarHBondContact O-N 3.47Å; T563-A567 PolarHBondContact O-N 3.12Å; T563-A611 HydrophobicContact CG2-CB 3.74Å; T563-W627 HydrophobicContact CG2-CZ2 3.93Å
564	T	95.8	Very high	94.9	Very high	60 Å²	60	39.3 Å²	39.3	37%	0.368	21%	0.21	S	C	.	.	H	α-helix	trans	-65.2	-38.1	171.8	-60.7	0	0	0	0	111.5	V560 E561 S562 A567 R568	V560-T564 WeakPolarHBondContact O-CB 3.15Å; V560-T564 PolarHBondContact O-N 3.37Å; V560-T564 PolarHBondContact O-OG1 3.4Å; E561-T564 PolarHBondContact O-N 2.9Å; S562-T564 VanDerWaalsContact C-N 3.33Å; S562-T564 PolarHBondContact O-N 2.86Å; T564-A567 PolarHBondContact O-N 3.37Å; T564-R568 WeakPolarHBondContact O-CG 3.46Å; T564-R568 PolarHBondContact O-N 2.79Å
565	R	95.1	Very high	94.9	Very high	94 Å²	94	39.2 Å²	39.2	36%	0.355	21%	0.208	S	C	.	.	H	α-helix	trans	-62	-46.5	172.2	-71.2	171	-178.4	-166.7	1.3	111.2	D543 E561 S562 T563 A567 R568 R569	D543-R565 HydrophobicContact CB-CB 4.38Å; D543-R565 WeakPolarHBondContact OD2-CB 3.27Å; E561-R565 WeakPolarHBondContact O-CG 3.38Å; E561-R565 PolarHBondContact O-N 2.95Å; S562-R565 WeakPolarHBondContact O-CB 3.19Å; S562-R565 PolarHBondContact O-N 3.04Å; S562-R565 VanDerWaalsContact O-N 3.12Å; T563-R565 VanDerWaalsContact C-N 3.35Å; R565-A567 VanDerWaalsContact C-N 3.34Å; R565-A567 PolarHBondContact O-N 3.33Å; R565-R568 VanDerWaalsContact CG-NH2 3.32Å; R565-R568 PolarHBondContact O-N 3.37Å; R565-R568 VanDerWaalsContact O-N 3.16Å; R565-R569 WeakPolarHBondContact O-CG 3.42Å; R565-R569 PolarHBondContact O-N 2.97Å
566	I	97.3	Very high	94.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-55.1	-49.4	175	-62.6	171.2	0	0	0	110.5	M540 D543 S562 T563 R568 R569 A570 M607 W627 L634	M540-I566 HydrophobicContact CE-CG2 3.63Å; M540-I566 WeakPolarHBondContact CE-O 3.42Å; D543-I566 HydrophobicContact CB-CD1 4.36Å; D543-I566 HydrophobicContact CB-CG1 3.67Å; S562-I566 WeakPolarHBondContact O-CG1 3.44Å; S562-I566 PolarHBondContact O-N 2.88Å; T563-I566 PolarHBondContact O-N 3.47Å; I566-R568 VanDerWaalsContact C-N 3.34Å; I566-R568 PolarHBondContact O-N 3.44Å; I566-R569 PolarHBondContact O-N 3.17Å; I566-A570 PolarHBondContact O-N 2.88Å; I566-M607 HydrophobicContact CB-CE 4.18Å; I566-M607 HydrophobicContact CG2-CE 3.78Å; I566-M607 HydrophobicContact CG2-SD 4.49Å; I566-W627 HydrophobicContact CD1-CZ2 4.12Å; I566-L634 HydrophobicContact CG2-CD2 4.38Å
567	A	97.1	Very high	94.8	Very high	12 Å²	12	35.2 Å²	35.2	10%	0.099	18%	0.181	C	C	.	.	H	α-helix	trans	-60.6	-41	179	0	0	0	0	0	112.6	T563 T564 R565 A570 N571 I604 M607 V608	T563-A567 PolarHBondContact O-N 3.12Å; T564-A567 PolarHBondContact O-N 3.37Å; R565-A567 VanDerWaalsContact C-N 3.34Å; R565-A567 PolarHBondContact O-N 3.33Å; A567-A570 PolarHBondContact O-N 3.15Å; A567-N571 PolarHBondContact O-N 3.42Å; A567-N571 PolarHBondContact O-ND2 3.38Å; A567-I604 HydrophobicContact CB-CG2 4.44Å; A567-M607 HydrophobicContact CB-CE 3.95Å; A567-V608 HydrophobicContact CB-CG2 3.95Å
568	R	96.3	Very high	94.8	Very high	67 Å²	67	32.8 Å²	32.8	25%	0.253	17%	0.166	S	C	.	.	H	α-helix	trans	-65.5	-43.3	177.5	-74.3	-177.5	-65.6	-168.2	8.1	112.2	T398 D399 T564 R565 I566 N571 R572	T398-R568 HydrophobicContact CG2-CB 3.82Å; D399-R568 VanDerWaalsContact CB-NH1 3.33Å; D399-R568 IonicContact OD1-CZ 2.98Å; D399-R568 IonicContact OD1-NH1 3.78Å; D399-R568 PolarHBondContact OD1-NH1 3.43Å; D399-R568 IonicContact OD2-CZ 2.69Å; D399-R568 IonicContact OD2-NH1 3.24Å; D399-R568 PolarHBondContact OD2-NH1 3.43Å; D399-R568 IonicContact OD2-NH2 2.66Å; T564-R568 WeakPolarHBondContact O-CG 3.46Å; T564-R568 PolarHBondContact O-N 2.79Å; R565-R568 VanDerWaalsContact CG-NH2 3.32Å; R565-R568 PolarHBondContact O-N 3.37Å; R565-R568 VanDerWaalsContact O-N 3.16Å; I566-R568 VanDerWaalsContact C-N 3.34Å; I566-R568 PolarHBondContact O-N 3.44Å; R568-N571 PolarHBondContact O-N 3.22Å; R568-R572 WeakPolarHBondContact O-CG 3.32Å; R568-R572 PolarHBondContact O-N 3.29Å
569	R	96.6	Very high	94.7	Very high	13 Å²	13	35.8 Å²	35.8	5%	0.049	17%	0.173	C	C	.	.	H	α-helix	trans	-61.3	-43.6	175.1	-66.7	-174.7	177.5	-77.2	1.3	111.9	A394 T398 M540 D543 R565 I566 N571 R572 V573	A394-R569 PolarHBondContact O-NH1 2.99Å; T398-R569 HydrophobicContact CG2-CG 3.81Å; M540-R569 HydrophobicContact CE-CB 4.43Å; M540-R569 HydrophobicContact CG-CB 3.44Å; M540-R569 VanDerWaalsContact CG-CB 3.44Å; M540-R569 VanDerWaalsContact CG-CD 3.48Å; M540-R569 HydrophobicContact CG-CG 4.1Å; M540-R569 HydrophobicContact SD-CB 3.63Å; D543-R569 IonicContact OD2-CZ 2.78Å; D543-R569 IonicContact OD2-NE 3.65Å; D543-R569 PolarHBondContact OD2-NE 3.02Å; R565-R569 WeakPolarHBondContact O-CG 3.42Å; R565-R569 PolarHBondContact O-N 2.97Å; I566-R569 PolarHBondContact O-N 3.17Å; R569-N571 VanDerWaalsContact C-N 3.31Å; R569-N571 PolarHBondContact O-N 3.01Å; R569-R572 WeakPolarHBondContact O-CB 3.49Å; R569-R572 PolarHBondContact O-N 2.96Å; R569-R572 VanDerWaalsContact O-N 3.13Å; R569-V573 PolarHBondContact O-N 2.92Å
570	A	97.3	Very high	94.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-58.4	-42.8	173.9	0	0	0	0	0	112	M540 I566 A567 V573 L574 I604 L634	M540-A570 HydrophobicContact CE-CB 3.81Å; I566-A570 PolarHBondContact O-N 2.88Å; A567-A570 PolarHBondContact O-N 3.15Å; A570-V573 PolarHBondContact O-N 3.42Å; A570-L574 WeakPolarHBondContact O-CG 3.22Å; A570-L574 PolarHBondContact O-N 3.24Å; A570-I604 HydrophobicContact CB-CD1 3.75Å; A570-I604 HydrophobicContact CB-CG1 3.94Å; A570-L634 HydrophobicContact CB-CD1 4.44Å; A570-L634 HydrophobicContact CB-CD2 4.32Å
571	N	96.1	Very high	94.2	Very high	67 Å²	67	33.5 Å²	33.5	36%	0.358	16%	0.159	S	C	.	.	H	α-helix	trans	-66.9	-34.1	176.5	-78.4	-64.5	0	0	0	112.8	A567 R568 R569 L574 Q575	A567-N571 PolarHBondContact O-N 3.42Å; A567-N571 PolarHBondContact O-ND2 3.38Å; R568-N571 PolarHBondContact O-N 3.22Å; R569-N571 VanDerWaalsContact C-N 3.31Å; R569-N571 PolarHBondContact O-N 3.01Å; N571-L574 WeakPolarHBondContact O-CB 3.45Å; N571-L574 PolarHBondContact O-N 3.29Å; N571-Q575 WeakPolarHBondContact O-CG 3.45Å; N571-Q575 PolarHBondContact O-N 3.1Å
572	R	94.6	Very high	94.2	Very high	9 Å²	9	33.2 Å²	33.2	3%	0.034	16%	0.161	C	C	.	.	H	α-helix	trans	-63.7	-42.9	172.9	-73.2	-74.2	-67.6	132.5	-2	111.6	D524 F532 R568 R569 L574 Q575 L576	D524-R572 IonicContact OD1-CZ 3.43Å; D524-R572 IonicContact OD1-NH2 3.8Å; D524-R572 PolarHBondContact OD1-NH2 2.84Å; D524-R572 IonicContact OD2-CZ 2.87Å; D524-R572 VanDerWaalsContact OD2-CZ 3.24Å; D524-R572 IonicContact OD2-NH1 2.87Å; D524-R572 PolarHBondContact OD2-NH1 3.24Å; D524-R572 IonicContact OD2-NH2 3.34Å; D524-R572 PolarHBondContact OD2-NH2 3.28Å; F532-R572 HydrophobicContact CE1-CB 4.49Å; F532-R572 HydrophobicContact CZ-CB 4.48Å; R568-R572 WeakPolarHBondContact O-CG 3.32Å; R568-R572 PolarHBondContact O-N 3.29Å; R569-R572 WeakPolarHBondContact O-CB 3.49Å; R569-R572 PolarHBondContact O-N 2.96Å; R569-R572 VanDerWaalsContact O-N 3.13Å; R572-L574 VanDerWaalsContact C-N 3.34Å; R572-L574 PolarHBondContact O-N 3.05Å; R572-Q575 PolarHBondContact O-N 2.91Å; R572-L576 PolarHBondContact O-N 3.49Å; R572-L576 VanDerWaalsContact O-N 3.08Å
573	V	95.2	Very high	94	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.5	-44.3	173.1	171.1	0	0	0	0	110.6	I533 Q536 R569 A570 Q575 L576 I577 L600 I641	I533-V573 HydrophobicContact CG1-CG1 4.41Å; Q536-V573 HydrophobicContact CB-CG2 3.6Å; Q536-V573 HydrophobicContact CG-CG2 3.93Å; R569-V573 PolarHBondContact O-N 2.92Å; A570-V573 PolarHBondContact O-N 3.42Å; V573-Q575 PolarHBondContact O-N 3.11Å; V573-L576 PolarHBondContact O-N 3.45Å; V573-I577 HydrophobicContact CG1-CD1 3.63Å; V573-I577 HydrophobicContact CG1-CG1 4.38Å; V573-I577 VanDerWaalsContact O-CD1 3.26Å; V573-I577 WeakPolarHBondContact O-CD1 3.43Å; V573-I577 WeakPolarHBondContact O-CG1 3.27Å; V573-I577 PolarHBondContact O-N 3.11Å; V573-L600 HydrophobicContact CB-CD2 4.31Å; V573-L600 HydrophobicContact CG1-CD2 3.82Å; V573-I641 HydrophobicContact CG1-CD1 4.33Å; V573-I641 HydrophobicContact CG1-CG2 4.44Å
574	L	94.6	Very high	93.8	Very high	3 Å²	3	34 Å²	34	2%	0.016	17%	0.165	C	C	.	.	H	α-helix	trans	-60	-43.6	175	-75.3	174.9	0	0	0	113.7	A570 N571 R572 L576 I577 T578 V597 L600 R601 I604	A570-L574 WeakPolarHBondContact O-CG 3.22Å; A570-L574 PolarHBondContact O-N 3.24Å; N571-L574 WeakPolarHBondContact O-CB 3.45Å; N571-L574 PolarHBondContact O-N 3.29Å; R572-L574 VanDerWaalsContact C-N 3.34Å; R572-L574 PolarHBondContact O-N 3.05Å; L574-L576 VanDerWaalsContact C-N 3.34Å; L574-I577 PolarHBondContact O-N 3.18Å; L574-T578 WeakPolarHBondContact O-CB 3.2Å; L574-T578 PolarHBondContact O-N 3.23Å; L574-T578 PolarHBondContact O-OG1 2.71Å; L574-V597 HydrophobicContact CD2-CB 4.47Å; L574-V597 HydrophobicContact CD2-CG1 4.09Å; L574-L600 HydrophobicContact CD1-CG 4.49Å; L574-L600 HydrophobicContact CD2-CB 3.91Å; L574-L600 HydrophobicContact CD2-CD2 3.66Å; L574-L600 HydrophobicContact CD2-CG 3.81Å; L574-L600 HydrophobicContact CG-CD2 3.68Å; L574-L600 HydrophobicContact CG-CG 3.99Å; L574-R601 HydrophobicContact CD1-CB 4.48Å; L574-R601 HydrophobicContact CD1-CG 3.46Å; L574-R601 VanDerWaalsContact CD1-CG 3.46Å; L574-R601 HydrophobicContact CD2-CG 3.71Å; L574-R601 HydrophobicContact CG-CG 4.25Å; L574-I604 HydrophobicContact CD1-CD1 3.43Å; L574-I604 VanDerWaalsContact CD1-CD1 3.43Å; L574-I604 HydrophobicContact CG-CD1 4.43Å
575	Q	92.5	Very high	93.5	Very high	100 Å²	100	33.6 Å²	33.6	47%	0.467	16%	0.16	S	C	.	.	H	α-helix	trans	-59.4	-46.3	177.6	-74.7	170.5	6.8	0	0	110.9	N571 R572 V573 R579	N571-Q575 WeakPolarHBondContact O-CG 3.45Å; N571-Q575 PolarHBondContact O-N 3.1Å; R572-Q575 PolarHBondContact O-N 2.91Å; V573-Q575 PolarHBondContact O-N 3.11Å; Q575-R579 WeakPolarHBondContact O-CB 3.35Å; Q575-R579 PolarHBondContact O-N 3.14Å
576	L	91.7	Very high	93.3	Very high	10 Å²	10	31 Å²	31	5%	0.052	15%	0.153	C	C	.	.	H	α-helix	trans	-62.1	-49.6	178.5	177.1	63.7	0	0	0	111.9	A529 F532 I533 R572 V573 L574 T578 R579 E580	A529-L576 HydrophobicContact CB-CD1 4.26Å; A529-L576 HydrophobicContact CB-CD2 4.04Å; A529-L576 HydrophobicContact CB-CG 4.41Å; F532-L576 HydrophobicContact CB-CD2 4.18Å; F532-L576 HydrophobicContact CD1-CD2 3.47Å; F532-L576 VanDerWaalsContact CD1-CD2 3.47Å; F532-L576 HydrophobicContact CE1-CD2 4.23Å; F532-L576 HydrophobicContact CG-CD2 4.15Å; I533-L576 HydrophobicContact CD1-CD2 4.05Å; I533-L576 HydrophobicContact CG1-CD2 3.78Å; R572-L576 PolarHBondContact O-N 3.49Å; R572-L576 VanDerWaalsContact O-N 3.08Å; V573-L576 PolarHBondContact O-N 3.45Å; L574-L576 VanDerWaalsContact C-N 3.34Å; L576-T578 VanDerWaalsContact C-N 3.32Å; L576-T578 PolarHBondContact O-N 3.45Å; L576-R579 WeakPolarHBondContact O-CB 3.28Å; L576-R579 PolarHBondContact O-N 3.47Å; L576-E580 HydrophobicContact CD1-CG 4.2Å; L576-E580 HydrophobicContact CG-CG 4.47Å; L576-E580 WeakPolarHBondContact O-CG 3.28Å; L576-E580 PolarHBondContact O-N 2.95Å
577	I	92	Very high	92.8	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.01	18%	0.18	C	C	.	.	H	α-helix	trans	-65.7	-38.5	-177.4	-55.3	151.1	0	0	0	111.2	I533 V573 L574 R579 E580 A581 M593 V597 I641 I645	I533-I577 HydrophobicContact CD1-CG1 4.44Å; V573-I577 HydrophobicContact CG1-CD1 3.63Å; V573-I577 HydrophobicContact CG1-CG1 4.38Å; V573-I577 VanDerWaalsContact O-CD1 3.26Å; V573-I577 WeakPolarHBondContact O-CD1 3.43Å; V573-I577 WeakPolarHBondContact O-CG1 3.27Å; V573-I577 PolarHBondContact O-N 3.11Å; L574-I577 PolarHBondContact O-N 3.18Å; I577-R579 VanDerWaalsContact C-N 3.3Å; I577-R579 PolarHBondContact O-N 3Å; I577-E580 PolarHBondContact O-N 2.92Å; I577-A581 WeakPolarHBondContact O-CB 3.37Å; I577-A581 PolarHBondContact O-N 3.24Å; I577-M593 HydrophobicContact CG2-CB 4.26Å; I577-M593 HydrophobicContact CG2-CE 4.36Å; I577-M593 HydrophobicContact CG2-CG 4.36Å; I577-M593 HydrophobicContact CG2-SD 4.5Å; I577-V597 HydrophobicContact CB-CG2 3.94Å; I577-V597 HydrophobicContact CG2-CG2 3.52Å; I577-I641 HydrophobicContact CD1-CB 4.13Å; I577-I641 HydrophobicContact CD1-CD1 3.41Å; I577-I641 VanDerWaalsContact CD1-CD1 3.41Å; I577-I641 HydrophobicContact CD1-CG1 3.75Å; I577-I641 HydrophobicContact CD1-CG2 3.31Å; I577-I641 HydrophobicContact CG1-CG2 3.68Å; I577-I645 HydrophobicContact CG1-CD1 3.99Å
578	T	93.2	Very high	92.4	Very high	39 Å²	39	39.4 Å²	39.4	24%	0.239	20%	0.2	C	C	.	.	H	α-helix	trans	-60.6	-44.9	176.2	-51.6	0	0	0	0	109.6	L574 L576 E580 A581 D582	L574-T578 WeakPolarHBondContact O-CB 3.2Å; L574-T578 PolarHBondContact O-N 3.23Å; L574-T578 PolarHBondContact O-OG1 2.71Å; L576-T578 VanDerWaalsContact C-N 3.32Å; L576-T578 PolarHBondContact O-N 3.45Å; T578-E580 PolarHBondContact O-N 3.43Å; T578-A581 PolarHBondContact O-N 3.38Å; T578-D582 PolarHBondContact O-N 3.02Å
579	R	89.9	Confident	92	Very high	76 Å²	76	37.4 Å²	37.4	29%	0.287	19%	0.193	S	C	.	.	H	α-helix	trans	-60.7	-42.9	175.3	-175.1	-178.4	73.4	176.2	3.8	112.7	D524 Q575 L576 I577 A581 D582 N583	D524-R579 PolarHBondContact O-NH2 3.36Å; Q575-R579 WeakPolarHBondContact O-CB 3.35Å; Q575-R579 PolarHBondContact O-N 3.14Å; L576-R579 WeakPolarHBondContact O-CB 3.28Å; L576-R579 PolarHBondContact O-N 3.47Å; I577-R579 VanDerWaalsContact C-N 3.3Å; I577-R579 PolarHBondContact O-N 3Å; R579-A581 VanDerWaalsContact C-N 3.33Å; R579-D582 PolarHBondContact O-N 2.9Å; R579-N583 WeakPolarHBondContact O-CB 3.19Å; R579-N583 PolarHBondContact O-N 3.25Å
580	E	88.4	Confident	91.8	Very high	19 Å²	19	38.2 Å²	38.2	9%	0.089	20%	0.199	C	C	.	.	H	α-helix	trans	-68.8	-31.9	178.1	-68.2	-58.7	141.6	0	0	112.6	A529 L576 I577 T578 S584 M593 R863	A529-E580 HydrophobicContact CB-CG 4.34Å; L576-E580 HydrophobicContact CD1-CG 4.2Å; L576-E580 HydrophobicContact CG-CG 4.47Å; L576-E580 WeakPolarHBondContact O-CG 3.28Å; L576-E580 PolarHBondContact O-N 2.95Å; I577-E580 PolarHBondContact O-N 2.92Å; T578-E580 PolarHBondContact O-N 3.43Å; E580-S584 PolarHBondContact O-N 3.31Å; E580-M593 HydrophobicContact CB-CE 3.66Å; E580-M593 HydrophobicContact CB-SD 4.24Å; E580-R863 IonicContact OE1-CZ 2.95Å; E580-R863 IonicContact OE1-NH1 3.99Å; E580-R863 IonicContact OE1-NH2 2.7Å; E580-R863 PolarHBondContact OE1-NH2 3.45Å; E580-R863 IonicContact OE2-CZ 3.26Å; E580-R863 IonicContact OE2-NH2 3.67Å; E580-R863 PolarHBondContact OE2-NH2 3.33Å
581	A	91.5	Very high	91.5	Very high	3 Å²	3	42.9 Å²	42.9	3%	0.025	22%	0.224	C	C	.	.	H	α-helix	trans	-68.4	-46.6	172.5	0	0	0	0	0	111.1	I577 T578 R579 N583 S584 M593	I577-A581 WeakPolarHBondContact O-CB 3.37Å; I577-A581 PolarHBondContact O-N 3.24Å; T578-A581 PolarHBondContact O-N 3.38Å; R579-A581 VanDerWaalsContact C-N 3.33Å; A581-N583 PolarHBondContact O-N 3.24Å; A581-S584 PolarHBondContact O-N 2.96Å; A581-M593 VanDerWaalsContact CA-SD 3.53Å; A581-M593 HydrophobicContact CB-CB 3.95Å; A581-M593 HydrophobicContact CB-SD 3.75Å; A581-M593 PolarHBondContact N-SD 3.35Å
582	D	92.5	Very high	91.3	Very high	110 Å²	110	44.8 Å²	44.8	59%	0.588	23%	0.226	S	C	*	.	H	α-helix	trans	-62.5	-29.8	177.6	-66.3	-24.8	0	0	0	112.2	T578 R579 S584 R862	T578-D582 PolarHBondContact O-N 3.02Å; R579-D582 PolarHBondContact O-N 2.9Å; D582-S584 VanDerWaalsContact C-N 3.32Å; D582-R862 WeakPolarHBondContact O-CD 3.44Å; D582-R862 PolarHBondContact O-NE 3.47Å
583	N	90.7	Very high	91.1	Very high	15 Å²	15	44.4 Å²	44.4	8%	0.08	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-19.3	176.2	-175	56.1	0	0	0	113.8	R579 A581 D861 R862 R863	R579-N583 WeakPolarHBondContact O-CB 3.19Å; R579-N583 PolarHBondContact O-N 3.25Å; A581-N583 PolarHBondContact O-N 3.24Å; N583-D861 PolarHBondContact ND2-OD1 3.4Å; N583-D861 PolarHBondContact ND2-OD2 2.99Å; N583-R862 WeakPolarHBondContact O-CB 3.32Å; N583-R862 VanDerWaalsContact O-CG 3.25Å; N583-R862 WeakPolarHBondContact O-CG 3.47Å; N583-R862 PolarHBondContact O-N 3.31Å; N583-R863 PolarHBondContact ND2-NE 3.01Å; N583-R863 VanDerWaalsContact ND2-NE 3.13Å; N583-R863 PolarHBondContact ND2-NH2 2.92Å; N583-R863 VanDerWaalsContact OD1-CG 3.27Å; N583-R863 WeakPolarHBondContact OD1-CG 3.39Å; N583-R863 PolarHBondContact OD1-N 2.94Å; N583-R863 PolarHBondContact OD1-NE 3.26Å
584	S	91.1	Very high	91.1	Very high	15 Å²	15	47.2 Å²	47.2	11%	0.105	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-101.2	143.2	-175.8	-169.3	0	0	0	0	112.8	E580 A581 D582 D586 Y589 V590 T860	E580-S584 PolarHBondContact O-N 3.31Å; A581-S584 PolarHBondContact O-N 2.96Å; D582-S584 VanDerWaalsContact C-N 3.32Å; S584-D586 PolarHBondContact OG-N 3.42Å; S584-Y589 WeakPolarHBondContact OG-CD1 3.43Å; S584-V590 WeakPolarHBondContact O-CG2 3.31Å; S584-T860 CarbonylContact C-O 3.59Å
585	E	90.8	Very high	91.1	Very high	52 Å²	52	52.2 Å²	52.2	24%	0.243	26%	0.263	C	S	.	.			trans	-107	4.3	170.7	-64.5	-176.4	175.4	0	0	112.9	P587 T860 R862 R865 R949	E585-P587 VanDerWaalsContact O-CD 3.25Å; E585-P587 WeakPolarHBondContact O-CD 3.29Å; E585-T860 PolarHBondContact N-O 2.87Å; E585-R862 HydrophobicContact CG-CG 4.37Å; E585-R862 IonicContact OE1-CZ 2.65Å; E585-R862 IonicContact OE1-NH1 3.99Å; E585-R862 IonicContact OE1-NH2 2.81Å; E585-R865 IonicContact OE1-CZ 3.44Å; E585-R865 VanDerWaalsContact OE1-CZ 3.26Å; E585-R865 IonicContact OE1-NH1 2.68Å; E585-R865 PolarHBondContact OE1-NH1 2.95Å; E585-R865 IonicContact OE1-NH2 2.93Å; E585-R865 PolarHBondContact OE1-NH2 3.02Å; E585-R865 IonicContact OE2-CZ 2.75Å; E585-R865 IonicContact OE2-NH1 3.34Å; E585-R865 PolarHBondContact OE2-NH1 3.32Å; E585-R865 IonicContact OE2-NH2 3.46Å; E585-R949 IonicContact OE2-NH2 3Å; E585-R949 PolarHBondContact OE2-NH2 3Å
586	D	89.2	Confident	91.1	Very high	39 Å²	39	48 Å²	48	21%	0.209	25%	0.246	C	C	.	.			trans	-77.7	110.6	172.1	172.6	11.4	0	0	0	109.8	S584 L588 Y589 V590 T860	S584-D586 PolarHBondContact OG-N 3.42Å; D586-L588 VanDerWaalsContact C-N 3.29Å; D586-L588 PolarHBondContact O-N 2.94Å; D586-L588 PolarHBondContact OD1-N 2.84Å; D586-L588 VanDerWaalsContact OD1-N 3.08Å; D586-Y589 PolarHBondContact O-N 3.49Å; D586-Y589 VanDerWaalsContact OD2-CB 3.25Å; D586-Y589 WeakPolarHBondContact OD2-CB 3.26Å; D586-V590 WeakPolarHBondContact O-CB 3.49Å; D586-V590 VanDerWaalsContact O-CG2 3.27Å; D586-V590 WeakPolarHBondContact O-CG2 3.27Å; D586-V590 PolarHBondContact O-N 3.28Å; D586-T860 HydrophobicContact CB-CG2 4.24Å
587	P	88.3	Confident	91.3	Very high	90 Å²	90	48.1 Å²	48.1	58%	0.584	25%	0.247	S	C	*	.	H	α-helix	trans	-59.2	-39.5	-175.7	-22.2	34.1	0	0	0	112.8	E585 V590 D591	E585-P587 VanDerWaalsContact O-CD 3.25Å; E585-P587 WeakPolarHBondContact O-CD 3.29Å; P587-V590 PolarHBondContact O-N 2.92Å; P587-D591 WeakPolarHBondContact O-CB 3.32Å; P587-D591 VanDerWaalsContact O-CG 3.22Å; P587-D591 PolarHBondContact O-N 3.5Å
588	L	88.2	Confident	91.4	Very high	98 Å²	98	53.8 Å²	53.8	51%	0.513	27%	0.271	S	S	.	.	H	α-helix	trans	-69.9	-38.4	-176.8	-64.8	178	0	0	0	111.4	D586 R592	D586-L588 VanDerWaalsContact C-N 3.29Å; D586-L588 PolarHBondContact O-N 2.94Å; D586-L588 PolarHBondContact OD1-N 2.84Å; D586-L588 VanDerWaalsContact OD1-N 3.08Å; L588-R592 WeakPolarHBondContact O-CG 3.42Å; L588-R592 PolarHBondContact O-N 2.87Å; L588-R592 VanDerWaalsContact O-N 3.15Å; L588-R592 PolarHBondContact O-NH1 3.36Å; L588-R592 VanDerWaalsContact O-NH1 3.17Å
589	Y	87.9	Confident	91.6	Very high	25 Å²	25	54.1 Å²	54.1	10%	0.098	28%	0.278	C	S	.	.	H	α-helix	trans	-68.1	-45.5	174.9	179.9	-104.2	0	0	0	111.5	S584 D586 D591 R592 M593	S584-Y589 WeakPolarHBondContact OG-CD1 3.43Å; D586-Y589 PolarHBondContact O-N 3.49Å; D586-Y589 VanDerWaalsContact OD2-CB 3.25Å; D586-Y589 WeakPolarHBondContact OD2-CB 3.26Å; Y589-D591 VanDerWaalsContact C-N 3.34Å; Y589-D591 PolarHBondContact O-N 3.23Å; Y589-R592 PolarHBondContact O-N 2.86Å; Y589-M593 HydrophobicContact CD1-CE 4.46Å; Y589-M593 HydrophobicContact CD1-CG 4.3Å; Y589-M593 HydrophobicContact CD1-SD 3.78Å; Y589-M593 HydrophobicContact CE1-CE 3.45Å; Y589-M593 VanDerWaalsContact CE1-CE 3.45Å; Y589-M593 HydrophobicContact CE1-CG 4.12Å; Y589-M593 HydrophobicContact CE1-SD 3.21Å; Y589-M593 WeakPolarHBondContact CE1-SD 3.31Å; Y589-M593 HydrophobicContact CE2-CE 4.02Å; Y589-M593 HydrophobicContact CE2-CG 4.48Å; Y589-M593 HydrophobicContact CE2-SD 4.41Å; Y589-M593 WeakPolarHBondContact O-CB 3.44Å; Y589-M593 WeakPolarHBondContact O-CG 3.19Å; Y589-M593 PolarHBondContact O-N 3.29Å; Y589-M593 WeakPolarHBondContact OH-CE 3.22Å
590	V	91.7	Very high	91.9	Very high	30 Å²	30	50.5 Å²	50.5	18%	0.182	27%	0.265	C	S	.	.	H	α-helix	trans	-61	-42.6	177.9	171.6	0	0	0	0	111.1	S584 D586 P587 M593 N594	S584-V590 WeakPolarHBondContact O-CG2 3.31Å; D586-V590 WeakPolarHBondContact O-CB 3.49Å; D586-V590 VanDerWaalsContact O-CG2 3.27Å; D586-V590 WeakPolarHBondContact O-CG2 3.27Å; D586-V590 PolarHBondContact O-N 3.28Å; P587-V590 PolarHBondContact O-N 2.92Å; V590-M593 PolarHBondContact O-N 2.83Å; V590-N594 VanDerWaalsContact CG1-ND2 3.33Å; V590-N594 WeakPolarHBondContact CG1-ND2 3.4Å; V590-N594 WeakPolarHBondContact O-CB 3.48Å; V590-N594 VanDerWaalsContact O-CG 3.3Å; V590-N594 PolarHBondContact O-N 3.19Å; V590-N594 PolarHBondContact O-ND2 3.32Å; V590-N594 VanDerWaalsContact O-ND2 3.14Å
591	D	91.6	Very high	92.3	Very high	98 Å²	98	55.9 Å²	55.9	52%	0.524	28%	0.284	S	S	.	.	H	α-helix	trans	-62.6	-47.2	176.2	-74.8	-17.9	0	0	0	111.7	P587 Y589 M593 N594 E595	P587-D591 WeakPolarHBondContact O-CB 3.32Å; P587-D591 VanDerWaalsContact O-CG 3.22Å; P587-D591 PolarHBondContact O-N 3.5Å; Y589-D591 VanDerWaalsContact C-N 3.34Å; Y589-D591 PolarHBondContact O-N 3.23Å; D591-M593 VanDerWaalsContact C-N 3.31Å; D591-M593 PolarHBondContact O-N 3.27Å; D591-N594 PolarHBondContact O-N 3.28Å; D591-E595 WeakPolarHBondContact O-CG 3.35Å; D591-E595 PolarHBondContact O-N 2.76Å
592	R	91.4	Very high	92.6	Very high	108 Å²	108	59.6 Å²	59.6	41%	0.408	31%	0.31	S	S	.	.	H	α-helix	trans	-59.7	-41.6	175.7	-73.5	-168.5	-55.4	-86.4	5.7	112.1	L588 Y589 A596 V644	L588-R592 WeakPolarHBondContact O-CG 3.42Å; L588-R592 PolarHBondContact O-N 2.87Å; L588-R592 VanDerWaalsContact O-N 3.15Å; L588-R592 PolarHBondContact O-NH1 3.36Å; L588-R592 VanDerWaalsContact O-NH1 3.17Å; Y589-R592 PolarHBondContact O-N 2.86Å; R592-A596 WeakPolarHBondContact O-CB 3.15Å; R592-A596 PolarHBondContact O-N 3.22Å; R592-A596 VanDerWaalsContact O-N 3.07Å; R592-V644 HydrophobicContact CB-CG1 3.99Å
593	M	91.5	Very high	92.8	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64.1	-46	176.1	-77.3	-168	142.7	0	0	112.1	I577 E580 A581 Y589 V590 D591 E595 A596 V597 V644 I645	I577-M593 HydrophobicContact CG2-CB 4.26Å; I577-M593 HydrophobicContact CG2-CE 4.36Å; I577-M593 HydrophobicContact CG2-CG 4.36Å; I577-M593 HydrophobicContact CG2-SD 4.5Å; E580-M593 HydrophobicContact CB-CE 3.66Å; E580-M593 HydrophobicContact CB-SD 4.24Å; A581-M593 VanDerWaalsContact CA-SD 3.53Å; A581-M593 HydrophobicContact CB-CB 3.95Å; A581-M593 HydrophobicContact CB-SD 3.75Å; A581-M593 PolarHBondContact N-SD 3.35Å; Y589-M593 HydrophobicContact CD1-CE 4.46Å; Y589-M593 HydrophobicContact CD1-CG 4.3Å; Y589-M593 HydrophobicContact CD1-SD 3.78Å; Y589-M593 HydrophobicContact CE1-CE 3.45Å; Y589-M593 VanDerWaalsContact CE1-CE 3.45Å; Y589-M593 HydrophobicContact CE1-CG 4.12Å; Y589-M593 HydrophobicContact CE1-SD 3.21Å; Y589-M593 WeakPolarHBondContact CE1-SD 3.31Å; Y589-M593 HydrophobicContact CE2-CE 4.02Å; Y589-M593 HydrophobicContact CE2-CG 4.48Å; Y589-M593 HydrophobicContact CE2-SD 4.41Å; Y589-M593 WeakPolarHBondContact O-CB 3.44Å; Y589-M593 WeakPolarHBondContact O-CG 3.19Å; Y589-M593 PolarHBondContact O-N 3.29Å; Y589-M593 WeakPolarHBondContact OH-CE 3.22Å; V590-M593 PolarHBondContact O-N 2.83Å; D591-M593 VanDerWaalsContact C-N 3.31Å; D591-M593 PolarHBondContact O-N 3.27Å; M593-E595 VanDerWaalsContact C-N 3.34Å; M593-E595 PolarHBondContact O-N 2.69Å; M593-A596 WeakPolarHBondContact O-CB 3.47Å; M593-A596 PolarHBondContact O-N 3.33Å; M593-A596 VanDerWaalsContact O-N 3.17Å; M593-V597 VanDerWaalsContact O-CG2 3.31Å; M593-V597 WeakPolarHBondContact O-CG2 3.35Å; M593-V597 PolarHBondContact O-N 3.31Å; M593-V644 HydrophobicContact CG-CG1 4.01Å; M593-I645 HydrophobicContact CE-CD1 4.13Å; M593-I645 HydrophobicContact CE-CG1 3.59Å
594	N	94.1	Very high	93.1	Very high	59 Å²	59	55.3 Å²	55.3	32%	0.316	29%	0.288	S	S	.	.	H	α-helix	trans	-64.2	-38.7	-179.7	-78.2	-37.3	0	0	0	112.2	V590 D591 V597 K598	V590-N594 VanDerWaalsContact CG1-ND2 3.33Å; V590-N594 WeakPolarHBondContact CG1-ND2 3.4Å; V590-N594 WeakPolarHBondContact O-CB 3.48Å; V590-N594 VanDerWaalsContact O-CG 3.3Å; V590-N594 PolarHBondContact O-N 3.19Å; V590-N594 PolarHBondContact O-ND2 3.32Å; V590-N594 VanDerWaalsContact O-ND2 3.14Å; D591-N594 PolarHBondContact O-N 3.28Å; N594-V597 PolarHBondContact O-N 3.41Å; N594-K598 VanDerWaalsContact O-CG 3.29Å; N594-K598 WeakPolarHBondContact O-CG 3.37Å; N594-K598 PolarHBondContact O-N 2.76Å
595	E	94.6	Very high	93.4	Very high	108 Å²	108	58.9 Å²	58.9	51%	0.505	31%	0.309	S	S	.	.	H	α-helix	trans	-64.2	-42.2	172.4	-70.8	-51.9	123.4	0	0	111.9	D591 M593 V597 K598 A599	D591-E595 WeakPolarHBondContact O-CG 3.35Å; D591-E595 PolarHBondContact O-N 2.76Å; M593-E595 VanDerWaalsContact C-N 3.34Å; M593-E595 PolarHBondContact O-N 2.69Å; E595-V597 VanDerWaalsContact C-N 3.34Å; E595-V597 PolarHBondContact O-N 3.27Å; E595-K598 PolarHBondContact O-N 3.26Å; E595-K598 IonicContact OE1-NZ 2.75Å; E595-K598 PolarHBondContact OE1-NZ 3.37Å; E595-A599 WeakPolarHBondContact O-CB 3.25Å; E595-A599 PolarHBondContact O-N 2.99Å
596	A	93.5	Very high	93.7	Very high	13 Å²	13	59.1 Å²	59.1	11%	0.107	32%	0.315	C	S	.	.	H	α-helix	trans	-63.9	-38.4	175.4	0	0	0	0	0	112.4	R592 M593 A599 L600 I641 V644	R592-A596 WeakPolarHBondContact O-CB 3.15Å; R592-A596 PolarHBondContact O-N 3.22Å; R592-A596 VanDerWaalsContact O-N 3.07Å; M593-A596 WeakPolarHBondContact O-CB 3.47Å; M593-A596 PolarHBondContact O-N 3.33Å; M593-A596 VanDerWaalsContact O-N 3.17Å; A596-A599 PolarHBondContact O-N 3.41Å; A596-L600 PolarHBondContact O-N 2.75Å; A596-I641 HydrophobicContact CB-CG1 3.71Å; A596-V644 HydrophobicContact CB-CG2 4.36Å
597	V	94.7	Very high	94.1	Very high	11 Å²	11	57.2 Å²	57.2	7%	0.067	31%	0.305	C	S	.	.	H	α-helix	trans	-62.3	-46.4	173.5	166.3	0	0	0	0	111	L574 I577 M593 N594 E595 L600 R601	L574-V597 HydrophobicContact CD2-CB 4.47Å; L574-V597 HydrophobicContact CD2-CG1 4.09Å; I577-V597 HydrophobicContact CB-CG2 3.94Å; I577-V597 HydrophobicContact CG2-CG2 3.52Å; M593-V597 VanDerWaalsContact O-CG2 3.31Å; M593-V597 WeakPolarHBondContact O-CG2 3.35Å; M593-V597 PolarHBondContact O-N 3.31Å; N594-V597 PolarHBondContact O-N 3.41Å; E595-V597 VanDerWaalsContact C-N 3.34Å; E595-V597 PolarHBondContact O-N 3.27Å; V597-L600 PolarHBondContact O-N 3.4Å; V597-R601 HydrophobicContact CG1-CG 4.43Å; V597-R601 VanDerWaalsContact CG1-NE 3.32Å; V597-R601 WeakPolarHBondContact O-CB 3.19Å; V597-R601 VanDerWaalsContact O-CG 3.3Å; V597-R601 WeakPolarHBondContact O-CG 3.29Å; V597-R601 PolarHBondContact O-N 3.01Å
598	K	95.9	Very high	94.5	Very high	121 Å²	121	55.1 Å²	55.1	53%	0.526	29%	0.29	S	S	.	.	H	α-helix	trans	-61	-46	176.5	-72	170.2	-167.9	169.4	0	111.1	N594 E595 R601 S602	N594-K598 VanDerWaalsContact O-CG 3.29Å; N594-K598 WeakPolarHBondContact O-CG 3.37Å; N594-K598 PolarHBondContact O-N 2.76Å; E595-K598 PolarHBondContact O-N 3.26Å; E595-K598 IonicContact OE1-NZ 2.75Å; E595-K598 PolarHBondContact OE1-NZ 3.37Å; K598-R601 PolarHBondContact O-N 3.44Å; K598-S602 WeakPolarHBondContact O-CB 3.32Å; K598-S602 PolarHBondContact O-N 2.73Å
599	A	95.9	Very high	94.9	Very high	47 Å²	47	54.2 Å²	54.2	39%	0.388	29%	0.286	S	S	.	.	H	α-helix	trans	-57.9	-52.3	177.9	0	0	0	0	0	111.2	E595 A596 S602	E595-A599 WeakPolarHBondContact O-CB 3.25Å; E595-A599 PolarHBondContact O-N 2.99Å; A596-A599 PolarHBondContact O-N 3.41Å; A599-S602 PolarHBondContact O-N 3.39Å; A599-S602 PolarHBondContact O-OG 3.18Å
600	L	96.5	Very high	95.3	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-63	-46.3	178.8	176.7	59.1	0	0	0	112.1	V573 L574 A596 V597 S602 T603 L634 A637 I638 I641	V573-L600 HydrophobicContact CB-CD2 4.31Å; V573-L600 HydrophobicContact CG1-CD2 3.82Å; L574-L600 HydrophobicContact CD1-CG 4.49Å; L574-L600 HydrophobicContact CD2-CB 3.91Å; L574-L600 HydrophobicContact CD2-CD2 3.66Å; L574-L600 HydrophobicContact CD2-CG 3.81Å; L574-L600 HydrophobicContact CG-CD2 3.68Å; L574-L600 HydrophobicContact CG-CG 3.99Å; A596-L600 PolarHBondContact O-N 2.75Å; V597-L600 PolarHBondContact O-N 3.4Å; L600-S602 PolarHBondContact O-N 3.43Å; L600-T603 PolarHBondContact O-N 3.21Å; L600-T603 PolarHBondContact O-OG1 2.79Å; L600-L634 HydrophobicContact CD1-CG 4.27Å; L600-A637 HydrophobicContact CB-CB 4.28Å; L600-A637 HydrophobicContact CD1-CB 4.15Å; L600-I638 HydrophobicContact CD1-CD1 4.39Å; L600-I638 HydrophobicContact CD1-CG1 3.8Å; L600-I638 HydrophobicContact CD2-CG1 4.24Å; L600-I641 HydrophobicContact CB-CD1 3.63Å; L600-I641 HydrophobicContact CD2-CD1 3.39Å; L600-I641 HydrophobicContact CG-CD1 4.07Å
601	R	96.9	Very high	95.4	Very high	132 Å²	132	54 Å²	54	50%	0.498	29%	0.285	S	S	.	.	H	α-helix	trans	-54.2	-40.5	177.2	-78.5	177.9	-170.2	-93.2	2.3	112.2	L574 V597 K598 T603 I604	L574-R601 HydrophobicContact CD1-CB 4.48Å; L574-R601 HydrophobicContact CD1-CG 3.46Å; L574-R601 VanDerWaalsContact CD1-CG 3.46Å; L574-R601 HydrophobicContact CD2-CG 3.71Å; L574-R601 HydrophobicContact CG-CG 4.25Å; V597-R601 HydrophobicContact CG1-CG 4.43Å; V597-R601 VanDerWaalsContact CG1-NE 3.32Å; V597-R601 WeakPolarHBondContact O-CB 3.19Å; V597-R601 VanDerWaalsContact O-CG 3.3Å; V597-R601 WeakPolarHBondContact O-CG 3.29Å; V597-R601 PolarHBondContact O-N 3.01Å; K598-R601 PolarHBondContact O-N 3.44Å; R601-T603 PolarHBondContact O-N 2.83Å; R601-I604 PolarHBondContact O-N 3.14Å
602	S	97	Very high	95.6	Very high	80 Å²	80	55.3 Å²	55.3	56%	0.559	29%	0.287	S	S	*	.	H	α-helix	trans	-66.3	-18.3	-179.4	76.5	0	0	0	0	114.3	K598 A599 L600 P606	K598-S602 WeakPolarHBondContact O-CB 3.32Å; K598-S602 PolarHBondContact O-N 2.73Å; A599-S602 PolarHBondContact O-N 3.39Å; A599-S602 PolarHBondContact O-OG 3.18Å; L600-S602 PolarHBondContact O-N 3.43Å; S602-P606 WeakPolarHBondContact O-CD 3.42Å; S602-P606 WeakPolarHBondContact O-CG 3.37Å
603	T	97.7	Very high	95.7	Very high	21 Å²	21	51 Å²	51	13%	0.129	28%	0.276	C	S	.	.	H	α-helix	trans	-91.9	-23.3	-178.9	65.2	0	0	0	0	114.3	L600 R601 M607 N633 A637	L600-T603 PolarHBondContact O-N 3.21Å; L600-T603 PolarHBondContact O-OG1 2.79Å; R601-T603 PolarHBondContact O-N 2.83Å; T603-M607 WeakPolarHBondContact O-CB 3.39Å; T603-M607 PolarHBondContact O-N 3.46Å; T603-N633 HydrophobicContact CG2-CB 4.49Å; T603-A637 HydrophobicContact CG2-CB 4.34Å
604	I	97.1	Very high	95.7	Very high	15 Å²	15	51 Å²	51	8%	0.077	28%	0.276	C	S	.	.	H	α-helix	trans	-68.2	-51.2	-173.2	-63.3	175	0	0	0	111.5	A567 A570 L574 R601 M607 V608 L634	A567-I604 HydrophobicContact CB-CG2 4.44Å; A570-I604 HydrophobicContact CB-CD1 3.75Å; A570-I604 HydrophobicContact CB-CG1 3.94Å; L574-I604 HydrophobicContact CD1-CD1 3.43Å; L574-I604 VanDerWaalsContact CD1-CD1 3.43Å; L574-I604 HydrophobicContact CG-CD1 4.43Å; R601-I604 PolarHBondContact O-N 3.14Å; I604-M607 PolarHBondContact O-N 3.25Å; I604-V608 HydrophobicContact CG2-CG2 4.48Å; I604-V608 WeakPolarHBondContact O-CG2 3.36Å; I604-V608 PolarHBondContact O-N 2.96Å; I604-L634 HydrophobicContact CG1-CD1 4.2Å
605	T	96.6	Very high	95.7	Very high	89 Å²	89	50.4 Å²	50.4	55%	0.546	27%	0.274	S	S	.	.	H	α-helix	trans	-62.9	-45.3	-177.3	-57.1	0	0	0	0	112.7	M607 V608 N609	T605-M607 PolarHBondContact O-N 3.06Å; T605-V608 PolarHBondContact O-N 2.74Å; T605-N609 WeakPolarHBondContact O-CB 3.27Å; T605-N609 PolarHBondContact O-N 3.43Å; T605-N609 PolarHBondContact O-ND2 3.06Å
606	P	97.5	Very high	95.6	Very high	57 Å²	57	50 Å²	50	37%	0.37	28%	0.28	S	S	.	.	H	α-helix	trans	-54.8	-47.8	171.5	-28.2	36.3	0	0	0	113.2	S602 V608 N609 D610	S602-P606 WeakPolarHBondContact O-CD 3.42Å; S602-P606 WeakPolarHBondContact O-CG 3.37Å; P606-V608 VanDerWaalsContact C-N 3.32Å; P606-V608 PolarHBondContact O-N 3.43Å; P606-N609 PolarHBondContact O-N 2.99Å; P606-N609 VanDerWaalsContact O-N 3.11Å; P606-D610 VanDerWaalsContact O-CG 3.31Å; P606-D610 PolarHBondContact O-N 2.94Å
607	M	97.7	Very high	95.6	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-58.6	-43.1	179.5	-177.7	-79.5	-66.8	0	0	112.2	I566 A567 T603 I604 T605 A611 L634	I566-M607 HydrophobicContact CB-CE 4.18Å; I566-M607 HydrophobicContact CG2-CE 3.78Å; I566-M607 HydrophobicContact CG2-SD 4.49Å; A567-M607 HydrophobicContact CB-CE 3.95Å; T603-M607 WeakPolarHBondContact O-CB 3.39Å; T603-M607 PolarHBondContact O-N 3.46Å; I604-M607 PolarHBondContact O-N 3.25Å; T605-M607 PolarHBondContact O-N 3.06Å; M607-A611 WeakPolarHBondContact O-CB 3.4Å; M607-A611 PolarHBondContact O-N 3.4Å; M607-L634 HydrophobicContact CB-CD1 4.07Å; M607-L634 HydrophobicContact CE-CD1 3.84Å; M607-L634 HydrophobicContact CG-CD1 4.17Å
608	V	96.9	Very high	95.4	Very high	45 Å²	45	54.1 Å²	54.1	27%	0.273	30%	0.299	S	S	.	.	H	α-helix	trans	-67.9	-36.9	177.3	173.3	0	0	0	0	111.9	A567 I604 T605 P606 K612	A567-V608 HydrophobicContact CB-CG2 3.95Å; I604-V608 HydrophobicContact CG2-CG2 4.48Å; I604-V608 WeakPolarHBondContact O-CG2 3.36Å; I604-V608 PolarHBondContact O-N 2.96Å; T605-V608 PolarHBondContact O-N 2.74Å; P606-V608 VanDerWaalsContact C-N 3.32Å; P606-V608 PolarHBondContact O-N 3.43Å; V608-K612 WeakPolarHBondContact O-CG 3.13Å; V608-K612 PolarHBondContact O-N 3.22Å; V608-K612 VanDerWaalsContact O-N 3.09Å
609	N	96.1	Very high	95.1	Very high	80 Å²	80	54.1 Å²	54.1	43%	0.428	31%	0.305	S	S	.	.	H	α-helix	trans	-70.6	-40.9	178.1	-73.2	-18.1	0	0	0	112	T605 P606 A611 K612 G613	T605-N609 WeakPolarHBondContact O-CB 3.27Å; T605-N609 PolarHBondContact O-N 3.43Å; T605-N609 PolarHBondContact O-ND2 3.06Å; P606-N609 PolarHBondContact O-N 2.99Å; P606-N609 VanDerWaalsContact O-N 3.11Å; N609-A611 VanDerWaalsContact C-N 3.3Å; N609-A611 PolarHBondContact O-N 3.39Å; N609-K612 WeakPolarHBondContact O-CB 3.5Å; N609-K612 PolarHBondContact O-N 3.14Å; N609-K612 VanDerWaalsContact O-N 3.15Å; N609-G613 PolarHBondContact O-N 3.47Å
610	D	96.1	Very high	95	Very high	45 Å²	45	54.4 Å²	54.4	24%	0.241	30%	0.3	C	S	.	.	H	α-helix	trans	-65.4	-37	175.2	-64.5	-19.6	0	0	0	110.9	P606 K612 G613 L614 W627 S630	P606-D610 VanDerWaalsContact O-CG 3.31Å; P606-D610 PolarHBondContact O-N 2.94Å; D610-K612 VanDerWaalsContact C-N 3.32Å; D610-K612 PolarHBondContact O-N 3.34Å; D610-G613 PolarHBondContact O-N 3.41Å; D610-L614 WeakPolarHBondContact O-CB 3.48Å; D610-L614 PolarHBondContact O-N 3.13Å; D610-W627 HydrophobicContact CB-CB 4.19Å; D610-S630 WeakPolarHBondContact OD2-CB 3.4Å; D610-S630 PolarHBondContact OD2-OG 3.31Å
611	A	95.3	Very high	94.8	Very high	4 Å²	4	58.3 Å²	58.3	3%	0.033	33%	0.325	C	S	.	.	H	α-helix	trans	-61.9	-37.6	172.3	0	0	0	0	0	112.3	T563 M607 N609 L614 V615	T563-A611 HydrophobicContact CG2-CB 3.74Å; M607-A611 WeakPolarHBondContact O-CB 3.4Å; M607-A611 PolarHBondContact O-N 3.4Å; N609-A611 VanDerWaalsContact C-N 3.3Å; N609-A611 PolarHBondContact O-N 3.39Å; A611-L614 WeakPolarHBondContact O-CB 3.3Å; A611-L614 PolarHBondContact O-N 2.96Å; A611-V615 VanDerWaalsContact O-CG2 3.29Å; A611-V615 WeakPolarHBondContact O-CG2 3.46Å; A611-V615 PolarHBondContact O-N 3.41Å
612	K	94.9	Very high	94.6	Very high	127 Å²	127	59 Å²	59	55%	0.552	33%	0.332	S	S	*	.	H	α-helix	trans	-65.6	-41.8	172.4	-69.6	169.6	-176.2	172.4	0	111.5	V608 N609 D610 L614 V615 T616	V608-K612 WeakPolarHBondContact O-CG 3.13Å; V608-K612 PolarHBondContact O-N 3.22Å; V608-K612 VanDerWaalsContact O-N 3.09Å; N609-K612 WeakPolarHBondContact O-CB 3.5Å; N609-K612 PolarHBondContact O-N 3.14Å; N609-K612 VanDerWaalsContact O-N 3.15Å; D610-K612 VanDerWaalsContact C-N 3.32Å; D610-K612 PolarHBondContact O-N 3.34Å; K612-L614 VanDerWaalsContact C-N 3.32Å; K612-L614 PolarHBondContact O-N 3.45Å; K612-V615 PolarHBondContact O-N 3.13Å; K612-T616 WeakPolarHBondContact O-CG2 3.37Å; K612-T616 PolarHBondContact O-N 3.41Å
613	G	92.9	Very high	94.4	Very high	18 Å²	18	56.9 Å²	56.9	19%	0.186	31%	0.313	C	S	.	.	H	α-helix	trans	-58.5	-45	174	0	0	0	0	0	111.9	N609 D610 V615 T616 N617	N609-G613 PolarHBondContact O-N 3.47Å; D610-G613 PolarHBondContact O-N 3.41Å; G613-V615 VanDerWaalsContact C-N 3.33Å; G613-V615 PolarHBondContact O-N 3.06Å; G613-T616 PolarHBondContact O-N 3.33Å; G613-T616 VanDerWaalsContact O-N 3.14Å; G613-T616 PolarHBondContact O-OG1 3.13Å; G613-N617 PolarHBondContact O-N 3.4Å
614	L	92.5	Very high	94.2	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-58.3	-41.2	173.9	-179.8	66.9	0	0	0	112.3	I551 V559 D610 A611 K612 T616 N617 I618 M623 H624 W627	I551-L614 HydrophobicContact CD1-CD1 4.21Å; I551-L614 HydrophobicContact CD1-CD2 3.54Å; I551-L614 HydrophobicContact CD1-CG 4.46Å; I551-L614 HydrophobicContact CG1-CD1 4.21Å; I551-L614 HydrophobicContact CG1-CD2 3.72Å; I551-L614 HydrophobicContact CG1-CG 4.36Å; V559-L614 HydrophobicContact CG1-CD2 3.57Å; V559-L614 HydrophobicContact CG1-CG 4.15Å; V559-L614 HydrophobicContact CG2-CD2 4.27Å; D610-L614 WeakPolarHBondContact O-CB 3.48Å; D610-L614 PolarHBondContact O-N 3.13Å; A611-L614 WeakPolarHBondContact O-CB 3.3Å; A611-L614 PolarHBondContact O-N 2.96Å; K612-L614 VanDerWaalsContact C-N 3.32Å; K612-L614 PolarHBondContact O-N 3.45Å; L614-T616 VanDerWaalsContact C-N 3.34Å; L614-T616 PolarHBondContact O-N 3.44Å; L614-N617 CarbonylContact O-C 3.5Å; L614-N617 PolarHBondContact O-N 3.08Å; L614-I618 WeakPolarHBondContact O-CA 3.45Å; L614-I618 WeakPolarHBondContact O-CB 3.36Å; L614-I618 PolarHBondContact O-N 3.31Å; L614-M623 HydrophobicContact CD1-CB 4.33Å; L614-H624 WeakPolarHBondContact CD1-CD2 3.14Å; L614-W627 HydrophobicContact CD2-CB 4.38Å; L614-W627 HydrophobicContact CD2-CD2 4.38Å; L614-W627 HydrophobicContact CD2-CG 4.21Å
615	V	93.1	Very high	94.1	Very high	45 Å²	45	61.1 Å²	61.1	27%	0.273	34%	0.335	S	S	.	.	H	α-helix	trans	-66.5	-35.7	176.3	168.4	0	0	0	0	112	T556 V559 V560 A611 K612 G613	T556-V615 HydrophobicContact CG2-CG1 4.32Å; V559-V615 HydrophobicContact CB-CG2 4.24Å; V559-V615 HydrophobicContact CG1-CG2 3.86Å; V560-V615 HydrophobicContact CG2-CG1 4.41Å; V560-V615 HydrophobicContact CG2-CG2 3.55Å; A611-V615 VanDerWaalsContact O-CG2 3.29Å; A611-V615 WeakPolarHBondContact O-CG2 3.46Å; A611-V615 PolarHBondContact O-N 3.41Å; K612-V615 PolarHBondContact O-N 3.13Å; G613-V615 VanDerWaalsContact C-N 3.33Å; G613-V615 PolarHBondContact O-N 3.06Å
616	T	93.3	Very high	94	Very high	101 Å²	101	61.4 Å²	61.4	62%	0.62	33%	0.33	S	S	*	.	H	α-helix	trans	-72.3	-34.7	178.3	56.9	0	0	0	0	113.4	K612 G613 L614	K612-T616 WeakPolarHBondContact O-CG2 3.37Å; K612-T616 PolarHBondContact O-N 3.41Å; G613-T616 PolarHBondContact O-N 3.33Å; G613-T616 VanDerWaalsContact O-N 3.14Å; G613-T616 PolarHBondContact O-OG1 3.13Å; L614-T616 VanDerWaalsContact C-N 3.34Å; L614-T616 PolarHBondContact O-N 3.44Å
617	N	92.4	Very high	94	Very high	95 Å²	95	58.7 Å²	58.7	51%	0.508	31%	0.312	S	S	.	.	S	Bend	trans	-136.8	66.3	-177	-68.1	-46.5	0	0	0	110.2	G613 L614 D619 D620 M623	G613-N617 PolarHBondContact O-N 3.4Å; L614-N617 CarbonylContact O-C 3.5Å; L614-N617 PolarHBondContact O-N 3.08Å; N617-D619 PolarHBondContact O-N 3.34Å; N617-D620 HydrophobicContact CB-CB 4.26Å; N617-D620 PolarHBondContact O-N 3.17Å; N617-D620 VanDerWaalsContact O-N 3.15Å; N617-M623 HydrophobicContact CB-CG 4.26Å
618	I	91.1	Very high	93.9	Very high	14 Å²	14	63 Å²	63	7%	0.072	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-18.4	-174.1	-166.8	162	0	0	0	113.3	I554 T556 V559 L614 H624	I554-I618 HydrophobicContact CG2-CG2 3.7Å; T556-I618 HydrophobicContact CG2-CD1 4.18Å; V559-I618 HydrophobicContact CG2-CD1 4.24Å; L614-I618 WeakPolarHBondContact O-CA 3.45Å; L614-I618 WeakPolarHBondContact O-CB 3.36Å; L614-I618 PolarHBondContact O-N 3.31Å; I618-H624 PolarHBondContact O-NE2 3.29Å
619	D	90	Very high	93.9	Very high	122 Å²	122	65.1 Å²	65.1	65%	0.652	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-12.2	177.6	-58.8	-52.2	0	0	0	113.2	N617 P621	N617-D619 PolarHBondContact O-N 3.34Å; D619-P621 VanDerWaalsContact O-CD 3.25Å; D619-P621 WeakPolarHBondContact O-CD 3.35Å
620	D	92.8	Very high	94	Very high	52 Å²	52	61.7 Å²	61.7	28%	0.278	32%	0.32	S	S	.	.			trans	-82	113.8	-176.4	-176.1	0.9	0	0	0	111.8	N617 K622 M623 H624	N617-D620 HydrophobicContact CB-CB 4.26Å; N617-D620 PolarHBondContact O-N 3.17Å; N617-D620 VanDerWaalsContact O-N 3.15Å; D620-K622 PolarHBondContact O-N 3.37Å; D620-K622 VanDerWaalsContact O-N 3.1Å; D620-K622 WeakPolarHBondContact OD1-CB 3.45Å; D620-K622 PolarHBondContact OD1-N 3.31Å; D620-M623 HydrophobicContact CB-CB 4.4Å; D620-M623 HydrophobicContact CB-CG 3.95Å; D620-M623 PolarHBondContact O-N 2.62Å; D620-H624 PolarHBondContact O-CD2 2.95Å; D620-H624 VanDerWaalsContact O-CD2 3.24Å; D620-H624 PolarHBondContact O-N 3.49Å
621	P	92.2	Very high	94.1	Very high	82 Å²	82	60.1 Å²	60.1	53%	0.532	31%	0.312	S	S	.	.	H	α-helix	trans	-60.8	-23.3	178.1	-21.6	34.2	0	0	0	113.6	D619 H624 N625	D619-P621 VanDerWaalsContact O-CD 3.25Å; D619-P621 WeakPolarHBondContact O-CD 3.35Å; P621-H624 PolarHBondContact O-N 3.06Å; P621-N625 PolarHBondContact O-N 3.47Å; P621-N625 VanDerWaalsContact O-N 3.16Å; P621-N625 PolarHBondContact O-ND2 2.85Å; P621-N625 VanDerWaalsContact O-ND2 3.13Å
622	K	93.6	Very high	94.2	Very high	147 Å²	147	67.5 Å²	67.5	64%	0.639	34%	0.338	S	S	*	.	H	α-helix	trans	-67.4	-41.7	175.9	-65.1	177.7	-179.6	174.3	0	111.1	D620 H624 N625 Q626	D620-K622 PolarHBondContact O-N 3.37Å; D620-K622 VanDerWaalsContact O-N 3.1Å; D620-K622 WeakPolarHBondContact OD1-CB 3.45Å; D620-K622 PolarHBondContact OD1-N 3.31Å; K622-H624 VanDerWaalsContact C-N 3.3Å; K622-H624 PolarHBondContact O-N 3.25Å; K622-N625 PolarHBondContact O-N 3.49Å; K622-Q626 WeakPolarHBondContact O-CG 3.4Å; K622-Q626 PolarHBondContact O-N 2.98Å
623	M	92.1	Very high	94.3	Very high	35 Å²	35	65.1 Å²	65.1	17%	0.172	33%	0.332	C	S	.	.	H	α-helix	trans	-64.5	-38.2	177.3	-63.6	-60.2	108	0	0	110.9	L614 N617 D620 N625 Q626 W627	L614-M623 HydrophobicContact CD1-CB 4.33Å; N617-M623 HydrophobicContact CB-CG 4.26Å; D620-M623 HydrophobicContact CB-CB 4.4Å; D620-M623 HydrophobicContact CB-CG 3.95Å; D620-M623 PolarHBondContact O-N 2.62Å; M623-N625 PolarHBondContact O-N 3.11Å; M623-Q626 VanDerWaalsContact CE-OE1 3.3Å; M623-Q626 PolarHBondContact O-N 3.4Å; M623-W627 PolarHBondContact O-N 3.31Å
624	H	94	Very high	94.5	Very high	30 Å²	30	64.2 Å²	64.2	14%	0.139	32%	0.323	C	S	.	.	H	α-helix	trans	-58.8	-49.1	175	-59.4	-175.5	0	0	0	111.1	I551 L614 I618 D620 P621 K622 Q626 W627 R628	I551-H624 WeakPolarHBondContact CG2-CE1 3.35Å; I551-H624 WeakPolarHBondContact CG2-NE2 2.97Å; L614-H624 WeakPolarHBondContact CD1-CD2 3.14Å; I618-H624 PolarHBondContact O-NE2 3.29Å; D620-H624 PolarHBondContact O-CD2 2.95Å; D620-H624 VanDerWaalsContact O-CD2 3.24Å; D620-H624 PolarHBondContact O-N 3.49Å; P621-H624 PolarHBondContact O-N 3.06Å; K622-H624 VanDerWaalsContact C-N 3.3Å; K622-H624 PolarHBondContact O-N 3.25Å; H624-Q626 PolarHBondContact O-N 2.98Å; H624-W627 PolarHBondContact O-N 3.43Å; H624-R628 WeakPolarHBondContact O-CB 3.38Å; H624-R628 VanDerWaalsContact O-CG 3.31Å; H624-R628 WeakPolarHBondContact O-CG 3.4Å; H624-R628 PolarHBondContact O-N 2.96Å
625	N	94.7	Very high	94.7	Very high	96 Å²	96	65.6 Å²	65.6	51%	0.513	33%	0.33	S	S	.	.	H	α-helix	trans	-68.9	-34.2	-177.3	-70.3	-33.1	0	0	0	112.8	P621 K622 M623 R628 L629	P621-N625 PolarHBondContact O-N 3.47Å; P621-N625 VanDerWaalsContact O-N 3.16Å; P621-N625 PolarHBondContact O-ND2 2.85Å; P621-N625 VanDerWaalsContact O-ND2 3.13Å; K622-N625 PolarHBondContact O-N 3.49Å; M623-N625 PolarHBondContact O-N 3.11Å; N625-R628 PolarHBondContact OD1-NH1 3.03Å; N625-R628 VanDerWaalsContact OD1-NH1 3.14Å; N625-L629 WeakPolarHBondContact O-CB 3.35Å; N625-L629 PolarHBondContact O-N 3.46Å
626	Q	95.5	Very high	94.8	Very high	94 Å²	94	67 Å²	67	44%	0.439	34%	0.339	S	S	.	.	H	α-helix	trans	-63	-50.2	173.6	-76.2	178	-4.5	0	0	111.2	K622 M623 H624 R628 L629 S630	K622-Q626 WeakPolarHBondContact O-CG 3.4Å; K622-Q626 PolarHBondContact O-N 2.98Å; M623-Q626 VanDerWaalsContact CE-OE1 3.3Å; M623-Q626 PolarHBondContact O-N 3.4Å; H624-Q626 PolarHBondContact O-N 2.98Å; Q626-R628 PolarHBondContact O-N 3.24Å; Q626-L629 WeakPolarHBondContact O-CB 3.37Å; Q626-L629 PolarHBondContact O-N 3.39Å; Q626-L629 VanDerWaalsContact O-N 3.16Å; Q626-S630 PolarHBondContact O-N 3.35Å; Q626-S630 PolarHBondContact O-OG 3.16Å
627	W	96.5	Very high	95	Very high	1 Å²	1	62.8 Å²	62.8	0%	0.004	31%	0.314	C	S	.	.	H	α-helix	trans	-62	-42.2	177	176.5	79	0	0	0	112.4	T547 E548 I551 T563 I566 D610 L614 M623 H624 L629 S630 N631	T547-W627 VanDerWaalsContact CB-CH2 3.4Å; T547-W627 HydrophobicContact CG2-CD2 4.41Å; T547-W627 HydrophobicContact CG2-CE3 4.4Å; T547-W627 HydrophobicContact CG2-CH2 3.5Å; T547-W627 VanDerWaalsContact CG2-CH2 3.5Å; T547-W627 HydrophobicContact CG2-CZ2 3.48Å; T547-W627 VanDerWaalsContact CG2-CZ2 3.48Å; T547-W627 HydrophobicContact CG2-CZ3 3.96Å; E548-W627 HydrophobicContact CG-CZ3 4.44Å; I551-W627 HydrophobicContact CD1-CE3 4.15Å; I551-W627 HydrophobicContact CD1-CZ3 4.33Å; T563-W627 HydrophobicContact CG2-CZ2 3.93Å; I566-W627 HydrophobicContact CD1-CZ2 4.12Å; D610-W627 HydrophobicContact CB-CB 4.19Å; L614-W627 HydrophobicContact CD2-CB 4.38Å; L614-W627 HydrophobicContact CD2-CD2 4.38Å; L614-W627 HydrophobicContact CD2-CG 4.21Å; M623-W627 PolarHBondContact O-N 3.31Å; H624-W627 PolarHBondContact O-N 3.43Å; W627-L629 VanDerWaalsContact C-N 3.26Å; W627-L629 PolarHBondContact O-N 3.44Å; W627-S630 PolarHBondContact O-N 3.04Å; W627-S630 PolarHBondContact O-OG 3.12Å; W627-S630 VanDerWaalsContact O-OG 3.09Å; W627-N631 HydrophobicContact CH2-CB 4.4Å; W627-N631 HydrophobicContact CZ2-CB 4.1Å; W627-N631 VanDerWaalsContact O-CB 3.25Å; W627-N631 WeakPolarHBondContact O-CB 3.47Å; W627-N631 PolarHBondContact O-N 3.02Å
628	R	96.6	Very high	95.1	Very high	91 Å²	91	58.2 Å²	58.2	34%	0.343	29%	0.29	S	S	.	.	H	α-helix	trans	-58.1	-39.8	174.8	-76.2	178.5	-169.8	124.7	6.8	112.3	E548 H624 N625 Q626 R632	E548-R628 WeakPolarHBondContact OE1-CD 3.35Å; E548-R628 WeakPolarHBondContact OE1-CG 3.49Å; E548-R628 IonicContact OE1-CZ 2.78Å; E548-R628 IonicContact OE1-NE 3.78Å; E548-R628 PolarHBondContact OE1-NE 2.92Å; E548-R628 IonicContact OE1-NH2 3.57Å; E548-R628 IonicContact OE2-CZ 3.59Å; E548-R628 IonicContact OE2-NE 3.23Å; E548-R628 PolarHBondContact OE2-NE 3.35Å; E548-R628 IonicContact OE2-NH2 2.91Å; E548-R628 PolarHBondContact OE2-NH2 3.11Å; H624-R628 WeakPolarHBondContact O-CB 3.38Å; H624-R628 VanDerWaalsContact O-CG 3.31Å; H624-R628 WeakPolarHBondContact O-CG 3.4Å; H624-R628 PolarHBondContact O-N 2.96Å; N625-R628 PolarHBondContact OD1-NH1 3.03Å; N625-R628 VanDerWaalsContact OD1-NH1 3.14Å; Q626-R628 PolarHBondContact O-N 3.24Å; R628-R632 WeakPolarHBondContact O-CB 3.45Å; R628-R632 PolarHBondContact O-N 3.41Å
629	L	97.3	Very high	95.1	Very high	88 Å²	88	60.4 Å²	60.4	46%	0.461	30%	0.301	S	S	.	.	H	α-helix	trans	-66.9	-49	178.3	-179.1	62.1	0	0	0	111.5	N625 Q626 W627 N631 R632 N633	N625-L629 WeakPolarHBondContact O-CB 3.35Å; N625-L629 PolarHBondContact O-N 3.46Å; Q626-L629 WeakPolarHBondContact O-CB 3.37Å; Q626-L629 PolarHBondContact O-N 3.39Å; Q626-L629 VanDerWaalsContact O-N 3.16Å; W627-L629 VanDerWaalsContact C-N 3.26Å; W627-L629 PolarHBondContact O-N 3.44Å; L629-N631 VanDerWaalsContact C-N 3.35Å; L629-N631 PolarHBondContact O-N 3.43Å; L629-R632 PolarHBondContact O-N 2.9Å; L629-N633 PolarHBondContact O-N 3.39Å; L629-N633 PolarHBondContact O-ND2 3.3Å; L629-N633 PolarHBondContact O-OD1 2.77Å
630	S	97.5	Very high	95.2	Very high	9 Å²	9	57.2 Å²	57.2	6%	0.063	29%	0.289	C	S	.	.	H	α-helix	trans	-65.7	-37.6	178.8	52.1	0	0	0	0	112.5	D610 Q626 W627 N633 L634	D610-S630 WeakPolarHBondContact OD2-CB 3.4Å; D610-S630 PolarHBondContact OD2-OG 3.31Å; Q626-S630 PolarHBondContact O-N 3.35Å; Q626-S630 PolarHBondContact O-OG 3.16Å; W627-S630 PolarHBondContact O-N 3.04Å; W627-S630 PolarHBondContact O-OG 3.12Å; W627-S630 VanDerWaalsContact O-OG 3.09Å; S630-N633 PolarHBondContact O-N 3.42Å; S630-L634 WeakPolarHBondContact O-CB 3.48Å; S630-L634 PolarHBondContact O-N 3.15Å
631	N	97.4	Very high	95.1	Very high	12 Å²	12	54.8 Å²	54.8	6%	0.064	28%	0.276	C	S	.	.	H	α-helix	trans	-63	-42.9	172.9	-170.4	43.4	0	0	0	112.2	S544 W627 L629 N633 L634 L635	S544-N631 WeakPolarHBondContact CB-ND2 3.47Å; S544-N631 PolarHBondContact OG-ND2 3.17Å; W627-N631 HydrophobicContact CH2-CB 4.4Å; W627-N631 HydrophobicContact CZ2-CB 4.1Å; W627-N631 VanDerWaalsContact O-CB 3.25Å; W627-N631 WeakPolarHBondContact O-CB 3.47Å; W627-N631 PolarHBondContact O-N 3.02Å; L629-N631 VanDerWaalsContact C-N 3.35Å; L629-N631 PolarHBondContact O-N 3.43Å; N631-N633 PolarHBondContact O-N 3.11Å; N631-L634 WeakPolarHBondContact O-CB 3.48Å; N631-L634 PolarHBondContact O-N 2.85Å; N631-L635 WeakPolarHBondContact O-CG 3.38Å; N631-L635 PolarHBondContact O-N 3.08Å
632	R	97.3	Very high	95	Very high	158 Å²	158	53.5 Å²	53.5	60%	0.596	26%	0.262	S	S	*	.	H	α-helix	trans	-64.7	-38.5	175.9	-172.6	169.4	67.6	105.2	0.8	112.6	R628 L629 L634 L635 T636	R628-R632 WeakPolarHBondContact O-CB 3.45Å; R628-R632 PolarHBondContact O-N 3.41Å; L629-R632 PolarHBondContact O-N 2.9Å; R632-L634 VanDerWaalsContact C-N 3.31Å; R632-L635 PolarHBondContact O-N 2.99Å; R632-T636 WeakPolarHBondContact O-CB 3.38Å; R632-T636 PolarHBondContact O-N 3.36Å; R632-T636 PolarHBondContact O-OG1 3.28Å
633	N	97.4	Very high	94.6	Very high	77 Å²	77	52.6 Å²	52.6	41%	0.412	26%	0.26	S	S	.	.	H	α-helix	trans	-62.4	-42.2	175.1	-68	-15	0	0	0	111	T603 L629 S630 N631 T636 A637	T603-N633 HydrophobicContact CG2-CB 4.49Å; L629-N633 PolarHBondContact O-N 3.39Å; L629-N633 PolarHBondContact O-ND2 3.3Å; L629-N633 PolarHBondContact O-OD1 2.77Å; S630-N633 PolarHBondContact O-N 3.42Å; N631-N633 PolarHBondContact O-N 3.11Å; N633-T636 PolarHBondContact O-N 3.46Å; N633-A637 PolarHBondContact O-N 3.48Å
634	L	97.6	Very high	94.3	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-61.7	-48.3	176.2	-171.4	157	0	0	0	111.6	M540 I566 A570 L600 I604 M607 S630 N631 R632 T636 A637 I638	M540-L634 HydrophobicContact CE-CD2 3.17Å; I566-L634 HydrophobicContact CG2-CD2 4.38Å; A570-L634 HydrophobicContact CB-CD1 4.44Å; A570-L634 HydrophobicContact CB-CD2 4.32Å; L600-L634 HydrophobicContact CD1-CG 4.27Å; I604-L634 HydrophobicContact CG1-CD1 4.2Å; M607-L634 HydrophobicContact CB-CD1 4.07Å; M607-L634 HydrophobicContact CE-CD1 3.84Å; M607-L634 HydrophobicContact CG-CD1 4.17Å; S630-L634 WeakPolarHBondContact O-CB 3.48Å; S630-L634 PolarHBondContact O-N 3.15Å; N631-L634 WeakPolarHBondContact O-CB 3.48Å; N631-L634 PolarHBondContact O-N 2.85Å; R632-L634 VanDerWaalsContact C-N 3.31Å; L634-T636 VanDerWaalsContact C-N 3.3Å; L634-T636 PolarHBondContact O-N 3.09Å; L634-A637 WeakPolarHBondContact O-CB 3.25Å; L634-A637 PolarHBondContact O-N 2.94Å; L634-I638 HydrophobicContact CD2-CD1 3.7Å; L634-I638 HydrophobicContact CD2-CG1 4.45Å; L634-I638 PolarHBondContact O-N 3.3Å; L634-I638 VanDerWaalsContact O-N 3.12Å
635	L	96.4	Very high	93.8	Very high	28 Å²	28	51.7 Å²	51.7	15%	0.147	26%	0.258	C	S	.	.	H	α-helix	trans	-62.5	-37	177	-68.8	170.4	0	0	0	112.2	M540 L541 N631 R632 A637 I638 N639	M540-L635 HydrophobicContact CB-CD2 3.97Å; L541-L635 HydrophobicContact CD2-CD1 3.73Å; L541-L635 HydrophobicContact CD2-CD2 4.29Å; N631-L635 WeakPolarHBondContact O-CG 3.38Å; N631-L635 PolarHBondContact O-N 3.08Å; R632-L635 PolarHBondContact O-N 2.99Å; L635-A637 VanDerWaalsContact C-N 3.35Å; L635-A637 PolarHBondContact O-N 2.87Å; L635-I638 PolarHBondContact O-N 3.12Å; L635-N639 PolarHBondContact O-N 3.02Å
636	T	96.1	Very high	92.8	Very high	75 Å²	75	49.2 Å²	49.2	46%	0.46	25%	0.248	S	C	.	.	H	α-helix	trans	-63.9	-40.8	175.6	-55.8	0	0	0	0	111.6	R632 N633 L634 I638 N639 S640	R632-T636 WeakPolarHBondContact O-CB 3.38Å; R632-T636 PolarHBondContact O-N 3.36Å; R632-T636 PolarHBondContact O-OG1 3.28Å; N633-T636 PolarHBondContact O-N 3.46Å; L634-T636 VanDerWaalsContact C-N 3.3Å; L634-T636 PolarHBondContact O-N 3.09Å; T636-I638 VanDerWaalsContact C-N 3.33Å; T636-I638 PolarHBondContact O-N 3.41Å; T636-N639 PolarHBondContact O-N 3.2Å; T636-S640 PolarHBondContact O-N 3.17Å; T636-S640 PolarHBondContact O-OG 2.99Å
637	A	96	Very high	91	Very high	12 Å²	12	49 Å²	49	10%	0.099	25%	0.254	C	S	.	.	H	α-helix	trans	-62.1	-39.6	174.8	0	0	0	0	0	112.1	L600 T603 N633 L634 L635 S640 I641	L600-A637 HydrophobicContact CB-CB 4.28Å; L600-A637 HydrophobicContact CD1-CB 4.15Å; T603-A637 HydrophobicContact CG2-CB 4.34Å; N633-A637 PolarHBondContact O-N 3.48Å; L634-A637 WeakPolarHBondContact O-CB 3.25Å; L634-A637 PolarHBondContact O-N 2.94Å; L635-A637 VanDerWaalsContact C-N 3.35Å; L635-A637 PolarHBondContact O-N 2.87Å; A637-S640 WeakPolarHBondContact O-CB 3.23Å; A637-S640 PolarHBondContact O-N 2.95Å; A637-I641 WeakPolarHBondContact O-CG1 3.25Å; A637-I641 PolarHBondContact O-N 3.45Å
638	I	95.1	Very high	88.6	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-65	-43.6	175.6	-66.4	175.9	0	0	0	111.5	I533 E537 M540 L600 L634 L635 T636 S640 I641 K642	I533-I638 HydrophobicContact CG2-CG2 4.22Å; E537-I638 HydrophobicContact CB-CG2 4.1Å; E537-I638 HydrophobicContact CG-CG2 4.34Å; M540-I638 HydrophobicContact CE-CD1 3.29Å; M540-I638 HydrophobicContact SD-CD1 3.26Å; M540-I638 WeakPolarHBondContact SD-CD1 3.44Å; L600-I638 HydrophobicContact CD1-CD1 4.39Å; L600-I638 HydrophobicContact CD1-CG1 3.8Å; L600-I638 HydrophobicContact CD2-CG1 4.24Å; L634-I638 HydrophobicContact CD2-CD1 3.7Å; L634-I638 HydrophobicContact CD2-CG1 4.45Å; L634-I638 PolarHBondContact O-N 3.3Å; L634-I638 VanDerWaalsContact O-N 3.12Å; L635-I638 PolarHBondContact O-N 3.12Å; T636-I638 VanDerWaalsContact C-N 3.33Å; T636-I638 PolarHBondContact O-N 3.41Å; I638-S640 VanDerWaalsContact C-N 3.27Å; I638-S640 PolarHBondContact O-N 2.82Å; I638-I641 WeakPolarHBondContact O-CB 3.28Å; I638-I641 PolarHBondContact O-N 3.39Å; I638-I641 VanDerWaalsContact O-N 3.17Å; I638-K642 PolarHBondContact O-N 3.01Å
639	N	91.6	Very high	86	Confident	59 Å²	59	55.9 Å²	55.9	32%	0.316	30%	0.298	S	S	.	.	H	α-helix	trans	-64.4	-33.9	176.9	-171.4	43.2	0	0	0	112.1	L635 T636 K642 Q643	L635-N639 PolarHBondContact O-N 3.02Å; T636-N639 PolarHBondContact O-N 3.2Å; N639-K642 PolarHBondContact O-N 3.39Å; N639-K642 WeakPolarHBondContact OD1-CE 3.48Å; N639-K642 PolarHBondContact OD1-NZ 3.48Å; N639-Q643 WeakPolarHBondContact O-CG 3.06Å; N639-Q643 PolarHBondContact O-N 3.41Å
640	S	90.8	Very high	82.8	Confident	56 Å²	56	59.2 Å²	59.2	39%	0.392	32%	0.316	S	S	.	.	H	α-helix	trans	-64.5	-41.8	173.1	-57	0	0	0	0	111.7	T636 A637 I638 K642 Q643 V644	T636-S640 PolarHBondContact O-N 3.17Å; T636-S640 PolarHBondContact O-OG 2.99Å; A637-S640 WeakPolarHBondContact O-CB 3.23Å; A637-S640 PolarHBondContact O-N 2.95Å; I638-S640 VanDerWaalsContact C-N 3.27Å; I638-S640 PolarHBondContact O-N 2.82Å; S640-K642 VanDerWaalsContact C-N 3.33Å; S640-K642 PolarHBondContact O-N 2.73Å; S640-Q643 WeakPolarHBondContact O-CB 3.43Å; S640-Q643 PolarHBondContact O-N 3.49Å; S640-V644 PolarHBondContact O-N 2.66Å
641	I	91.9	Very high	79.6	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.005	34%	0.338	C	S	.	.	H	α-helix	trans	-58.1	-45.3	174.4	-76.7	157.5	0	0	0	111.4	I533 V573 I577 A596 L600 A637 I638 Q643 V644 I645	I533-I641 HydrophobicContact CD1-CG2 3.99Å; V573-I641 HydrophobicContact CG1-CD1 4.33Å; V573-I641 HydrophobicContact CG1-CG2 4.44Å; I577-I641 HydrophobicContact CD1-CB 4.13Å; I577-I641 HydrophobicContact CD1-CD1 3.41Å; I577-I641 VanDerWaalsContact CD1-CD1 3.41Å; I577-I641 HydrophobicContact CD1-CG1 3.75Å; I577-I641 HydrophobicContact CD1-CG2 3.31Å; I577-I641 HydrophobicContact CG1-CG2 3.68Å; A596-I641 HydrophobicContact CB-CG1 3.71Å; L600-I641 HydrophobicContact CB-CD1 3.63Å; L600-I641 HydrophobicContact CD2-CD1 3.39Å; L600-I641 HydrophobicContact CG-CD1 4.07Å; A637-I641 WeakPolarHBondContact O-CG1 3.25Å; A637-I641 PolarHBondContact O-N 3.45Å; I638-I641 WeakPolarHBondContact O-CB 3.28Å; I638-I641 PolarHBondContact O-N 3.39Å; I638-I641 VanDerWaalsContact O-N 3.17Å; I641-Q643 PolarHBondContact O-N 3.34Å; I641-V644 WeakPolarHBondContact O-CB 3.48Å; I641-V644 PolarHBondContact O-N 2.95Å; I641-I645 HydrophobicContact CG2-CD1 3.9Å; I641-I645 PolarHBondContact O-N 3.34Å; I641-I645 VanDerWaalsContact O-N 3.14Å
642	K	89.1	Confident	76.5	Confident	54 Å²	54	66.9 Å²	66.9	24%	0.235	36%	0.361	C	S	.	.	H	α-helix	trans	-57.3	-36.7	179.1	-173.7	173.4	63.8	-163.7	0	111.5	I533 E537 I638 N639 S640 S646	I533-K642 HydrophobicContact CG2-CB 4.42Å; E537-K642 IonicContact OE1-NZ 3.59Å; E537-K642 IonicContact OE2-NZ 2.7Å; E537-K642 PolarHBondContact OE2-NZ 2.84Å; I638-K642 PolarHBondContact O-N 3.01Å; N639-K642 PolarHBondContact O-N 3.39Å; N639-K642 WeakPolarHBondContact OD1-CE 3.48Å; N639-K642 PolarHBondContact OD1-NZ 3.48Å; S640-K642 VanDerWaalsContact C-N 3.33Å; S640-K642 PolarHBondContact O-N 2.73Å; K642-S646 VanDerWaalsContact O-CB 3.31Å; K642-S646 WeakPolarHBondContact O-CB 3.37Å; K642-S646 PolarHBondContact O-N 3.18Å; K642-S646 PolarHBondContact O-OG 2.84Å
643	Q	86.5	Confident	73.5	Confident	128 Å²	128	65.5 Å²	65.5	60%	0.598	36%	0.364	S	S	*	.	H	α-helix	trans	-70.4	-30.3	176.1	-63.9	173.5	18.8	0	0	113.2	N639 S640 I641	N639-Q643 WeakPolarHBondContact O-CG 3.06Å; N639-Q643 PolarHBondContact O-N 3.41Å; S640-Q643 WeakPolarHBondContact O-CB 3.43Å; S640-Q643 PolarHBondContact O-N 3.49Å; I641-Q643 PolarHBondContact O-N 3.34Å
644	V	85.4	Confident	70.3	Confident	29 Å²	29	66 Å²	66	18%	0.176	37%	0.367	C	S	.	.	H	α-helix	trans	-72.6	-37.3	177.8	174.3	0	0	0	0	111.8	R592 M593 A596 S640 I641	R592-V644 HydrophobicContact CB-CG1 3.99Å; M593-V644 HydrophobicContact CG-CG1 4.01Å; A596-V644 HydrophobicContact CB-CG2 4.36Å; S640-V644 PolarHBondContact O-N 2.66Å; I641-V644 WeakPolarHBondContact O-CB 3.48Å; I641-V644 PolarHBondContact O-N 2.95Å
645	I	82.4	Confident	67.1	Low	17 Å²	17	73.4 Å²	73.4	9%	0.087	40%	0.396	C	S	.	.	H	α-helix	trans	-86.1	-30.8	-177.4	-62	169.6	0	0	0	111.8	A529 N530 I533 I577 M593 I641	A529-I645 HydrophobicContact CB-CG2 4.47Å; N530-I645 VanDerWaalsContact OD1-CB 3.3Å; N530-I645 WeakPolarHBondContact OD1-CB 3.47Å; N530-I645 WeakPolarHBondContact OD1-CG2 3.35Å; I533-I645 HydrophobicContact CD1-CD1 3.25Å; I577-I645 HydrophobicContact CG1-CD1 3.99Å; M593-I645 HydrophobicContact CE-CD1 4.13Å; M593-I645 HydrophobicContact CE-CG1 3.59Å; I641-I645 HydrophobicContact CG2-CD1 3.9Å; I641-I645 PolarHBondContact O-N 3.34Å; I641-I645 VanDerWaalsContact O-N 3.14Å
646	S	75.1	Confident	64	Low	45 Å²	45	79.1 Å²	79.1	32%	0.315	42%	0.416	S	S	.	.	S	Bend	trans	-57.1	130.6	173.6	-65.7	0	0	0	0	109.2	N530 K642 S648	N530-S646 PolarHBondContact OD1-N 3.26Å; K642-S646 VanDerWaalsContact O-CB 3.31Å; K642-S646 WeakPolarHBondContact O-CB 3.37Å; K642-S646 PolarHBondContact O-N 3.18Å; K642-S646 PolarHBondContact O-OG 2.84Å; S646-S648 PolarHBondContact O-N 3.45Å
647	P	57.5	Low	60.9	Low	88 Å²	88	81.2 Å²	81.2	57%	0.571	42%	0.421	S	S	*	.			trans	-56.5	121.1	-179	22.9	-31.8	0	0	0	108.1	F649	P647-F649 HydrophobicContact CB-CD2 3.68Å; P647-F649 HydrophobicContact CB-CE2 3.71Å; P647-F649 HydrophobicContact CG-CD2 4.01Å; P647-F649 HydrophobicContact CG-CE2 4.16Å; P647-F649 PolarHBondContact O-N 2.88Å
648	S	45.6	Very low	57.9	Low	83 Å²	83	88.4 Å²	88.4	58%	0.58	45%	0.452	S	S	*	.			trans	-70.7	66.2	-176.4	-45.7	0	0	0	0	110.2	S646 N650	S646-S648 PolarHBondContact O-N 3.45Å; S648-N650 PolarHBondContact O-N 3.39Å
649	F	42.8	Very low	54.9	Low	155 Å²	155	94.5 Å²	94.5	68%	0.68	48%	0.481	S	S	*	.			trans	-78	-2.6	171.3	-80.6	-73.1	0	0	0	112.3	P647 N651	P647-F649 HydrophobicContact CB-CD2 3.68Å; P647-F649 HydrophobicContact CB-CE2 3.71Å; P647-F649 HydrophobicContact CG-CD2 4.01Å; P647-F649 HydrophobicContact CG-CE2 4.16Å; P647-F649 PolarHBondContact O-N 2.88Å; F649-N651 PolarHBondContact O-N 2.96Å
650	N	29.8	Very low	52	Low	158 Å²	158	100.3 Å²	100.3	85%	0.845	50%	0.499	S	S	*	.	S	Bend	trans	-88.7	102.7	167.8	-74.1	-18.8	0	0	0	109.7	S648	S648-N650 PolarHBondContact O-N 3.39Å
651	N	29.7	Very low	49.1	Very low	99 Å²	99	103.7 Å²	103.7	53%	0.529	51%	0.509	S	S	.	.			trans	92.9	60.7	175.8	-81.1	-22.8	0	0	0	120.5	F649 I653 N654	F649-N651 PolarHBondContact O-N 2.96Å; N651-I653 PolarHBondContact O-N 2.84Å; N651-N654 HydrophobicContact CB-CB 4.34Å; N651-N654 PolarHBondContact ND2-ND2 2.87Å
652	P	31.8	Very low	45.9	Very low	83 Å²	83	112.6 Å²	112.6	54%	0.539	55%	0.55	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-11.5	152.5	-7.7	24.5	0	0	0	112.9	Y656	P652-Y656 WeakPolarHBondContact O-CD2 3.36Å
653	I	33.9	Very low	43	Very low	129 Å²	129	117.4 Å²	117.4	66%	0.662	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	-36.4	-175.1	-65.4	176.8	0	0	0	112.1	N651 H657	N651-I653 PolarHBondContact O-N 2.84Å; I653-H657 WeakPolarHBondContact O-CB 3.2Å; I653-H657 PolarHBondContact O-N 3.34Å
654	N	30.8	Very low	40.2	Very low	87 Å²	87	116.9 Å²	116.9	47%	0.465	58%	0.581	S	S	.	*	H	α-helix	trans	-84.9	-27.7	-172.6	-77.4	-8.9	0	0	0	115.3	N651 E658	N651-N654 HydrophobicContact CB-CB 4.34Å; N651-N654 PolarHBondContact ND2-ND2 2.87Å; N654-E658 PolarHBondContact O-N 2.87Å
655	Y	31.5	Very low	37.4	Very low	156 Å²	156	123.2 Å²	123.2	61%	0.612	61%	0.612	S	S	*	*	H	α-helix	trans	-77.4	-27	178.6	-153.1	-97.8	0	0	0	113
656	Y	31.2	Very low	34.9	Very low	147 Å²	147	127.2 Å²	127.2	58%	0.576	64%	0.642	S	S	*	*	H	α-helix	trans	-84	-22.3	174.3	-73.4	-82	0	0	0	113	P652	P652-Y656 WeakPolarHBondContact O-CD2 3.36Å
657	H	30.9	Very low	32.7	Very low	119 Å²	119	130.9 Å²	130.9	55%	0.551	66%	0.662	S	S	*	*	H	α-helix	trans	-81.3	-28.5	178.9	-153.6	62.2	0	0	0	113.3	I653 H661	I653-H657 WeakPolarHBondContact O-CB 3.2Å; I653-H657 PolarHBondContact O-N 3.34Å; H657-H661 AromaticContact CE1-CD2 3.71Å; H657-H661 AromaticContact CE1-NE2 3.45Å; H657-H661 PolarHBondContact CE1-NE2 2.66Å; H657-H661 AromaticContact ND1-CD2 3.84Å; H657-H661 AromaticContact ND1-NE2 3.82Å
658	E	33	Very low	31.4	Very low	163 Å²	163	135.1 Å²	135.1	76%	0.762	67%	0.674	S	S	*	*	H	α-helix	trans	-83.9	-22.6	178.9	-85.6	-175.7	150.2	0	0	114.8	N654	N654-E658 PolarHBondContact O-N 2.87Å
659	H	31.7	Very low	30.6	Very low	129 Å²	129	139.4 Å²	139.4	60%	0.597	68%	0.682	S	S	*	*	H	α-helix	trans	-112.7	-5	-173.6	-86	-65.2	0	0	0	116.4
660	Y	31.5	Very low	30.1	Very low	181 Å²	181	140 Å²	140	71%	0.71	69%	0.693	S	S	*	*			trans	-127.9	18	-176.4	-77.4	-82.8	0	0	0	116.3	H662	Y660-H662 VanDerWaalsContact C-N 3.27Å; Y660-H662 PolarHBondContact O-N 2.82Å
661	H	28.1	Very low	30.2	Very low	127 Å²	127	136 Å²	136	59%	0.588	69%	0.688	S	S	*	*			trans	-87.6	62.3	161	-93.6	-69.1	0	0	0	111.9	H657	H657-H661 AromaticContact CE1-CD2 3.71Å; H657-H661 AromaticContact CE1-NE2 3.45Å; H657-H661 PolarHBondContact CE1-NE2 2.66Å; H657-H661 AromaticContact ND1-CD2 3.84Å; H657-H661 AromaticContact ND1-NE2 3.82Å
662	H	26.3	Very low	30.2	Very low	187 Å²	187	138.3 Å²	138.3	87%	0.866	70%	0.699	S	S	*	*			trans	-116.8	70.3	151.6	-87.3	-49.5	0	0	0	108.6	Y660	Y660-H662 VanDerWaalsContact C-N 3.27Å; Y660-H662 PolarHBondContact O-N 2.82Å
663	H	27.4	Very low	30.2	Very low	156 Å²	156	142.5 Å²	142.5	72%	0.722	71%	0.711	S	S	*	*			trans	-66.8	128.9	156.5	-106.9	-59	0	0	0	108	L665	H663-L665 PolarHBondContact O-N 3.34Å
664	P	27.1	Very low	29.9	Very low	117 Å²	117	140.6 Å²	140.6	76%	0.76	71%	0.709	S	S	*	*			trans	-69.2	106.7	163.7	27.9	-28	0	0	0	107	S666	P664-S666 PolarHBondContact O-N 3.28Å; P664-S666 VanDerWaalsContact O-N 3.15Å
665	L	27.5	Very low	29.8	Very low	161 Å²	161	142.2 Å²	142.2	84%	0.843	72%	0.722	S	S	*	*			trans	-58.9	117.1	167.7	-80.6	162.3	0	0	0	108.3	H663 V667	H663-L665 PolarHBondContact O-N 3.34Å; L665-V667 PolarHBondContact O-N 3.11Å; L665-V667 VanDerWaalsContact O-N 3.15Å
666	S	30	Very low	29.5	Very low	102 Å²	102	141.6 Å²	141.6	71%	0.713	73%	0.729	S	S	*	*			trans	-52.3	115.4	164.4	-179.7	0	0	0	0	109	P664 H668	P664-S666 PolarHBondContact O-N 3.28Å; P664-S666 VanDerWaalsContact O-N 3.15Å; S666-H668 PolarHBondContact O-N 3.15Å; S666-H668 VanDerWaalsContact O-N 3.07Å
667	V	27.8	Very low	29.4	Very low	121 Å²	121	140.4 Å²	140.4	73%	0.733	74%	0.738	S	S	*	*			trans	-73.9	93.9	173.1	177.7	0	0	0	0	107.8	L665 K669	L665-V667 PolarHBondContact O-N 3.11Å; L665-V667 VanDerWaalsContact O-N 3.15Å; V667-K669 HydrophobicContact CG1-CG 4.22Å
668	H	31.1	Very low	29.1	Very low	178 Å²	178	139.1 Å²	139.1	82%	0.824	74%	0.742	S	S	*	*			trans	-102	103.3	148	-96.2	-71.1	0	0	0	108.5	S666	S666-H668 PolarHBondContact O-N 3.15Å; S666-H668 VanDerWaalsContact O-N 3.07Å
669	K	29.1	Very low	28.9	Very low	173 Å²	173	138.6 Å²	138.6	75%	0.752	74%	0.743	S	S	*	*			trans	-65.3	126	162	-79.6	176.8	174.3	175.2	0	108.4	V667	V667-K669 HydrophobicContact CG1-CG 4.22Å
670	N	32.5	Very low	28.6	Very low	168 Å²	168	137.1 Å²	137.1	90%	0.898	75%	0.747	S	S	*	*				-177.4	126.8	127.2	-87.6	-14.4	0	0	0	111.2
671	G	30.9	Very low	28.3	Very low	72 Å²	72	132.7 Å²	132.7	74%	0.742	74%	0.743	S	S	*	*			trans	102.2	71.8	139.1	0	0	0	0	0	121
672	I	29.7	Very low	28.3	Very low	148 Å²	148	133.9 Å²	133.9	76%	0.759	75%	0.753	S	S	*	*				44.1	133.2	128.4	-41.5	179.2	0	0	0	121.3
673	H	32.4	Very low	28.3	Very low	172 Å²	172	129.5 Å²	129.5	80%	0.796	74%	0.744	S	S	*	*			trans	89.1	146.1	165.9	-65.8	-60.8	0	0	0	117.2
674	S	26.6	Very low	28.5	Very low	89 Å²	89	128.5 Å²	128.5	62%	0.622	75%	0.753	S	S	*	*			cis	175.3	128.2	-31.6	-90.9	0	0	0	0	106.1
675	T	28.7	Very low	28.6	Very low	121 Å²	121	129 Å²	129	74%	0.742	75%	0.749	S	S	*	*			trans	71.5	115.3	149.9	61.2	0	0	0	0	123.3
676	N	26.1	Very low	28.8	Very low	142 Å²	142	129.6 Å²	129.6	76%	0.759	75%	0.753	S	S	*	*				82.5	130.1	120.2	-69	-4.1	0	0	0	124.7
677	T	29.2	Very low	28.8	Very low	122 Å²	122	130.4 Å²	130.4	75%	0.748	75%	0.748	S	S	*	*			trans	82.6	102.5	138.8	30.3	0	0	0	0	123.1
678	S	24.8	Very low	28.9	Very low	92 Å²	92	134.2 Å²	134.2	64%	0.643	76%	0.758	S	S	*	*				65.4	128.4	112.6	73.7	0	0	0	0	123.8
679	I	28	Very low	28.9	Very low	152 Å²	152	132.8 Å²	132.8	78%	0.779	76%	0.756	S	S	*	*			trans	101	122.6	139.9	-64.1	153.4	0	0	0	120.8
680	S	25.7	Very low	28.8	Very low	98 Å²	98	131.2 Å²	131.2	69%	0.685	76%	0.756	S	S	*	*			trans	71.6	125.4	147	74.7	0	0	0	0	124.6
681	S	25.6	Very low	28.8	Very low	89 Å²	89	131 Å²	131	62%	0.622	76%	0.755	S	S	*	*			trans	63.7	116.2	131.8	63.8	0	0	0	0	120.6
682	N	27.6	Very low	28.7	Very low	151 Å²	151	134.9 Å²	134.9	81%	0.807	76%	0.759	S	S	*	*				162.5	139.1	103.6	-93	-25.8	0	0	0	113.6
683	S	25.7	Very low	28.8	Very low	95 Å²	95	135.6 Å²	135.6	66%	0.664	76%	0.764	S	S	*	*			trans	57.1	123.5	132.6	-150.8	0	0	0	0	120.6
684	C	31.8	Very low	28.6	Very low	136 Å²	136	132.1 Å²	132.1	92%	0.919	76%	0.759	S	S	*	*			trans	-150.5	93.9	132	-90.7	0	0	0	0	109.4
685	N	29.2	Very low	28.7	Very low	127 Å²	127	134.1 Å²	134.1	68%	0.679	77%	0.767	S	S	*	*			trans	-66.8	141.3	152.3	-81	-32.2	0	0	0	109
686	N	32.8	Very low	28.8	Very low	174 Å²	174	132.4 Å²	132.4	93%	0.93	77%	0.765	S	S	*	*			trans	-134.4	110	145	-109	-15.4	0	0	0	109.3
687	I	28.7	Very low	29	Very low	118 Å²	118	130.8 Å²	130.8	61%	0.605	77%	0.765	S	S	*	*			trans	-89.2	129.9	175.4	-68	163.1	0	0	0	106.9
688	H	31.5	Very low	28.8	Very low	201 Å²	201	130.4 Å²	130.4	93%	0.931	77%	0.767	S	S	*	*			trans	-140	131.3	137.7	-109.3	39.3	0	0	0	109.7
689	N	30.1	Very low	29.1	Very low	148 Å²	148	135.6 Å²	135.6	79%	0.791	78%	0.778	S	S	*	*			trans	-100.2	154.8	-156.6	-142.9	1.3	0	0	0	110.7
690	N	27.4	Very low	29.1	Very low	140 Å²	140	133 Å²	133	75%	0.749	77%	0.774	S	S	*	*			trans	-60.5	150.1	171.7	-79.8	-28.5	0	0	0	113.3
691	N	32.3	Very low	29.2	Very low	163 Å²	163	133 Å²	133	87%	0.872	77%	0.773	S	S	*	*				-177	133.4	120.7	-92.7	-15.9	0	0	0	113.5
692	N	28.1	Very low	29.3	Very low	154 Å²	154	137.7 Å²	137.7	82%	0.824	79%	0.786	S	S	*	*			trans	-72.3	143.2	167.6	-73.5	-32.1	0	0	0	111.4
693	N	32	Very low	29.3	Very low	164 Å²	164	134.6 Å²	134.6	88%	0.877	78%	0.781	S	S	*	*			trans	-166.5	154.6	130.4	-105.3	-13.7	0	0	0	112.9
694	S	28	Very low	29.5	Very low	98 Å²	98	135.2 Å²	135.2	69%	0.685	79%	0.785	S	S	*	*			trans	-80	164.1	-160.5	46.6	0	0	0	0	116.6
695	V	30.3	Very low	29.1	Very low	131 Å²	131	135.7 Å²	135.7	79%	0.794	78%	0.779	S	S	*	*				145.6	118.8	120	173.8	0	0	0	0	113.6
696	A	29.3	Very low	29	Very low	85 Å²	85	136.2 Å²	136.2	70%	0.702	78%	0.782	S	S	*	*			trans	69.2	128	143.2	0	0	0	0	0	125
697	S	30.6	Very low	28.9	Very low	109 Å²	109	138.1 Å²	138.1	76%	0.762	78%	0.782	S	S	*	*				115.8	95.8	124.9	72.5	0	0	0	0	119.6
698	S	26.1	Very low	28.8	Very low	113 Å²	113	141 Å²	141	79%	0.79	79%	0.793	S	S	*	*				51.4	138.5	118.8	-46.8	0	0	0	0	124.2
699	K	30	Very low	28.4	Very low	201 Å²	201	139.2 Å²	139.2	87%	0.874	79%	0.788	S	S	*	*			trans	89.9	139.1	160.8	-59.4	177.9	180	177.8	0	114.9
700	S	27.7	Very low	28.2	Very low	99 Å²	99	138.7 Å²	138.7	69%	0.692	79%	0.79	S	S	*	*			cis	-179.5	154.4	-8.8	52.5	0	0	0	0	107.5
701	S	28.9	Very low	28	Very low	96 Å²	96	137.2 Å²	137.2	67%	0.671	79%	0.791	S	S	*	*			trans	88.4	110.5	145.8	-43.7	0	0	0	0	121.4
702	Q	27	Very low	27.8	Very low	188 Å²	188	135.4 Å²	135.4	88%	0.879	79%	0.792	S	S	*	*				72.7	129.7	120.5	-74.7	-175.5	-31.1	0	0	122.8
703	A	28.6	Very low	27.8	Very low	87 Å²	87	135.3 Å²	135.3	72%	0.719	79%	0.789	S	S	*	*			trans	104.9	103.6	132.5	0	0	0	0	0	119.3
704	S	28.7	Very low	27.8	Very low	107 Å²	107	133.6 Å²	133.6	75%	0.748	79%	0.787	S	S	*	*				73	111	117.1	-55.5	0	0	0	0	121.2
705	N	25.1	Very low	27.6	Very low	146 Å²	146	136.8 Å²	136.8	78%	0.781	80%	0.796	S	S	*	*				62.3	136.6	120.8	-74.3	0.6	0	0	0	122.9
706	N	25.3	Very low	27.5	Very low	138 Å²	138	141 Å²	141	74%	0.738	80%	0.797	S	S	*	*			trans	82.2	110.3	151.4	-63.4	-2.7	0	0	0	118
707	K	31	Very low	27.4	Very low	214 Å²	214	143 Å²	143	93%	0.93	79%	0.792	S	S	*	*			trans	-134.3	114.7	139.7	-106.1	-179.9	-179	178.9	0	110.5
708	E	26.1	Very low	27.1	Very low	179 Å²	179	145.6 Å²	145.6	84%	0.836	79%	0.794	S	S	*	*			trans	-74.1	160.8	174.6	-70.4	171.3	137.2	0	0	112.7
709	I	23.6	Very low	27.2	Very low	164 Å²	164	149.6 Å²	149.6	84%	0.841	80%	0.8	S	S	*	*			trans	-64.2	132.9	166.7	-63.6	158.3	0	0	0	110.2
710	T	27.1	Very low	26.8	Very low	136 Å²	136	148.6 Å²	148.6	83%	0.834	80%	0.799	S	S	*	*			trans	-153.5	141.7	147	47	0	0	0	0	111.9
711	S	22.8	Very low	26.8	Very low	110 Å²	110	151.9 Å²	151.9	77%	0.769	81%	0.807	S	S	*	*			trans	-81.8	155.1	176.1	46.5	0	0	0	0	112.4
712	S	28.5	Very low	26.5	Very low	125 Å²	125	152.6 Å²	152.6	87%	0.874	81%	0.812	S	S	*	*			trans	-160.4	126.2	159.7	-72.1	0	0	0	0	112
713	I	27.8	Very low	26.5	Very low	152 Å²	152	151.5 Å²	151.5	78%	0.779	81%	0.81	S	S	*	*			trans	-94.7	157.1	161.8	-61	162.5	0	0	0	107.4
714	P	30.6	Very low	26.3	Very low	128 Å²	128	152.8 Å²	152.8	83%	0.831	81%	0.809	S	S	*	*				-144	153	117.7	29.8	-10.8	0	0	0	115.6
715	L	25	Very low	26.2	Very low	165 Å²	165	154.9 Å²	154.9	86%	0.864	81%	0.812	S	S	*	*			trans	-94.8	149.8	173.5	-90.2	154.8	0	0	0	112.5
716	R	28.8	Very low	26.3	Very low	219 Å²	219	154.8 Å²	154.8	83%	0.826	81%	0.812	S	S	*	*			trans	173.7	149.8	149.8	-107.4	-172.3	154.1	158.1	0.3	108.9
717	E	26.2	Very low	26.5	Very low	127 Å²	127	154.4 Å²	154.4	59%	0.593	81%	0.809	S	S	*	*			cis	-172.3	142	-15.8	-127	174.6	166.2	0	0	106
718	M	24.3	Very low	26.3	Very low	163 Å²	163	153.7 Å²	153.7	80%	0.803	80%	0.801	S	S	*	*			trans	50.9	125	148.5	-64.1	-176.7	-179.8	0	0	123.8
719	Q	28.5	Very low	26.3	Very low	197 Å²	197	153 Å²	153	92%	0.921	80%	0.798	S	S	*	*				-172.3	128.3	104.1	-122.9	164.6	-15.1	0	0	113.4
720	E	21.7	Very low	26.5	Very low	181 Å²	181	152.1 Å²	152.1	85%	0.846	79%	0.79	S	S	*	*			trans	-74.7	149.8	165.8	-65.2	170.3	136.3	0	0	111.4
721	I	28.2	Very low	26.6	Very low	167 Å²	167	153.4 Å²	153.4	86%	0.856	79%	0.787	S	S	*	*			trans	-157.3	125.8	131.2	-60.6	-165.8	0	0	0	109.3
722	S	21.3	Very low	26.7	Very low	111 Å²	111	153.9 Å²	153.9	78%	0.776	79%	0.79	S	S	*	*			trans	-83.7	146.8	167.9	-62.2	0	0	0	0	112.4
723	I	27	Very low	26.7	Very low	166 Å²	166	151.1 Å²	151.1	85%	0.851	78%	0.781	S	S	*	*			trans	-145.5	126.1	147	-57.4	-177.4	0	0	0	109.1
724	T	24.3	Very low	26.8	Very low	113 Å²	113	149.9 Å²	149.9	69%	0.693	78%	0.781	S	S	*	*			trans	-98.1	144.7	163.3	47.5	0	0	0	0	109.5
725	D	27.9	Very low	26.7	Very low	151 Å²	151	150.6 Å²	150.6	81%	0.807	78%	0.776	S	S	*	*				167.6	153.7	119.1	-85.7	-7.5	0	0	0	114.1
726	D	26.7	Very low	26.9	Very low	144 Å²	144	148.4 Å²	148.4	77%	0.77	78%	0.775	S	S	*	*			trans	-42.1	154.7	-178.2	-77.7	-52.4	0	0	0	120.1
727	D	28.9	Very low	26.8	Very low	130 Å²	130	144.9 Å²	144.9	70%	0.695	77%	0.771	S	S	*	*				179.1	134.8	101.4	-112.9	-27.5	0	0	0	115.9
728	R	28.2	Very low	27.1	Very low	200 Å²	200	145.6 Å²	145.6	76%	0.755	78%	0.78	S	S	*	*			trans	57.7	114.2	139.3	-75	165.6	179.8	-158	-5.2	122.5
729	Q	25	Very low	27.4	Very low	164 Å²	164	144 Å²	144	77%	0.766	77%	0.774	S	S	*	*				70.7	119.3	87.5	-73.8	-166	-9.9	0	0	116.8
730	Q	28.7	Very low	27.6	Very low	146 Å²	146	141.1 Å²	141.1	68%	0.682	77%	0.77	S	S	*	*				163.8	134.3	103.9	-83.7	-165.4	-0.2	0	0	114
731	Q	28.1	Very low	28.1	Very low	162 Å²	162	138 Å²	138	76%	0.757	76%	0.764	S	S	*	*			trans	59.4	148.9	138.9	-69.6	174	8.2	0	0	120.2
732	S	25.8	Very low	28.2	Very low	120 Å²	120	136.2 Å²	136.2	84%	0.839	76%	0.756	S	S	*	*			cis	160.8	139.9	-13.7	-104.2	0	0	0	0	104.6
733	G	28.3	Very low	28.7	Very low	67 Å²	67	139 Å²	139	69%	0.691	76%	0.762	S	S	*	*			trans	164.3	84	171.6	0	0	0	0	0	118.7
734	T	29.9	Very low	28.8	Very low	126 Å²	126	136.8 Å²	136.8	77%	0.773	76%	0.757	S	S	*	*			trans	58.3	108.5	134.5	41.1	0	0	0	0	122
735	I	27.5	Very low	29.2	Very low	144 Å²	144	137.9 Å²	137.9	74%	0.738	76%	0.763	S	S	*	*				76.8	116.4	95.3	-64.6	169.4	0	0	0	115.1
736	S	30.6	Very low	29.4	Very low	119 Å²	119	135.5 Å²	135.5	83%	0.832	76%	0.764	S	S	*	*				-172.9	134.9	117.6	-75.7	0	0	0	0	112.1
737	L	26.4	Very low	29.4	Very low	144 Å²	144	134.8 Å²	134.8	75%	0.754	77%	0.765	S	S	*	*			trans	-93.1	155.4	176.1	-73	92	0	0	0	111.2
738	D	32	Very low	29.5	Very low	143 Å²	143	133.9 Å²	133.9	77%	0.765	77%	0.769	S	S	*	*				-176.4	111.6	126.3	-99.6	-23.4	0	0	0	108.1
739	N	30.9	Very low	29.4	Very low	128 Å²	128	131 Å²	131	68%	0.684	77%	0.774	S	S	*	*				80	106.6	85.8	-85.9	-25.7	0	0	0	114.5
740	T	33	Very low	29.5	Very low	138 Å²	138	129.9 Å²	129.9	85%	0.847	78%	0.778	S	S	*	*				-168.1	111.3	120.8	31.4	0	0	0	0	110.7
741	T	32.4	Very low	29.6	Very low	116 Å²	116	129.6 Å²	129.6	71%	0.712	79%	0.787	S	S	*	*			trans	-25.5	161.8	143.2	47.5	0	0	0	0	115.5
742	D	29.6	Very low	29.4	Very low	128 Å²	128	128.2 Å²	128.2	68%	0.684	79%	0.79	S	S	*	*			cis	-169	141.8	-2.5	-117.3	-28.2	0	0	0	103.6
743	D	31.4	Very low	29.6	Very low	170 Å²	170	128.8 Å²	128.8	91%	0.909	79%	0.788	S	S	*	*			trans	-174.7	94.3	141.7	-98.6	-16.6	0	0	0	108.4
744	T	29.5	Very low	29.7	Very low	120 Å²	120	132 Å²	132	74%	0.736	79%	0.794	S	S	*	*			trans	-98.8	135.7	168.7	52.8	0	0	0	0	109.5
745	V	32	Very low	29.4	Very low	135 Å²	135	132.8 Å²	132.8	82%	0.818	80%	0.799	S	S	*	*				167.2	108.6	119	167.6	0	0	0	0	108.8
746	A	32.1	Very low	29.6	Very low	102 Å²	102	132.4 Å²	132.4	84%	0.843	80%	0.804	S	S	*	*			trans	-163.5	114.2	136.7	0	0	0	0	0	109.3
747	T	26.3	Very low	29.5	Very low	128 Å²	128	131.6 Å²	131.6	79%	0.785	80%	0.804	S	S	*	*			trans	-69.2	131	-172.1	-35	0	0	0	0	112
748	S	31.2	Very low	29.5	Very low	112 Å²	112	128.4 Å²	128.4	78%	0.783	81%	0.807	S	S	*	*			trans	-150.2	114.6	154.6	-77.9	0	0	0	0	110.3
749	T	27.2	Very low	29.4	Very low	140 Å²	140	128.1 Å²	128.1	86%	0.859	81%	0.81	S	S	*	*			trans	-44.9	124.4	174.4	23.7	0	0	0	0	114
750	T	27.4	Very low	29.2	Very low	139 Å²	139	127.6 Å²	127.6	85%	0.853	81%	0.813	S	S	*	*			trans	-117	121	160.3	21.5	0	0	0	0	109.4
751	T	29.4	Very low	29	Very low	140 Å²	140	127.9 Å²	127.9	86%	0.859	81%	0.814	S	S	*	*			trans	-70.4	132.1	172.6	31.2	0	0	0	0	111.2
752	T	23.7	Very low	28.7	Very low	133 Å²	133	133.5 Å²	133.5	82%	0.816	82%	0.823	S	S	*	*			trans	-66.3	130.1	168.1	40.5	0	0	0	0	112.8
753	T	30.7	Very low	28.4	Very low	133 Å²	133	133 Å²	133	82%	0.816	82%	0.824	S	S	*	*			trans	-147	107.4	150.7	37	0	0	0	0	111.8
754	T	30.2	Very low	28.2	Very low	133 Å²	133	130.4 Å²	130.4	82%	0.816	82%	0.82	S	S	*	*			trans	9	127.7	140.6	24.3	0	0	0	0	120.4
755	T	24.9	Very low	28.1	Very low	143 Å²	143	129.7 Å²	129.7	88%	0.877	82%	0.815	S	S	*	*			trans	-73.9	127.1	169.4	-34.5	0	0	0	0	112
756	T	31.1	Very low	27.9	Very low	137 Å²	137	128.7 Å²	128.7	84%	0.84	81%	0.811	S	S	*	*			trans	-143.8	121.1	160	36.6	0	0	0	0	111.4
757	A	28.8	Very low	27.9	Very low	101 Å²	101	129.9 Å²	129.9	84%	0.835	80%	0.804	S	S	*	*			trans	6.4	131.5	158.2	0	0	0	0	0	122.1
758	G	26.7	Very low	28.4	Very low	78 Å²	78	129.1 Å²	129.1	80%	0.804	80%	0.799	S	S	*	*				84.2	83.1	121.4	0	0	0	0	0	118.7
759	V	29.9	Very low	28.9	Very low	136 Å²	136	128.1 Å²	128.1	82%	0.824	78%	0.782	S	S	*	*			trans	-138.5	132.2	159.3	-178.3	0	0	0	0	108.1
760	P	26.7	Very low	29.7	Very low	117 Å²	117	127.2 Å²	127.2	76%	0.76	78%	0.776	S	S	*	*			trans	-71.1	144.8	-170.5	29.8	-34.1	0	0	0	111.6	R762	P760-R762 PolarHBondContact O-N 2.93Å
761	V	27	Very low	30.8	Very low	144 Å²	144	123.3 Å²	123.3	87%	0.873	75%	0.75	S	S	*	*			trans	-52.4	108.2	174.8	176.4	0	0	0	0	109.3	T763	V761-T763 PolarHBondContact O-N 3.43Å
762	R	26.6	Very low	31.5	Very low	234 Å²	234	124.4 Å²	124.4	88%	0.883	75%	0.745	S	S	*	*			trans	-64.1	114.9	169.9	-165.1	177.6	-167.6	-169	2.4	107	P760 S764	P760-R762 PolarHBondContact O-N 2.93Å; R762-S764 PolarHBondContact O-N 3.41Å; R762-S764 VanDerWaalsContact O-N 3.1Å
763	T	24.8	Very low	32.8	Very low	118 Å²	118	125 Å²	125	72%	0.724	74%	0.739	S	S	*	*			trans	-44.1	115.9	165.9	47.8	0	0	0	0	109.1	V761 T765	V761-T763 PolarHBondContact O-N 3.43Å; T763-T765 PolarHBondContact O-N 2.9Å
764	S	26.5	Very low	33.8	Very low	116 Å²	116	123.1 Å²	123.1	81%	0.811	72%	0.719	S	S	*	*			trans	-55.2	105.3	167.3	38.2	0	0	0	0	108.5	R762	R762-S764 PolarHBondContact O-N 3.41Å; R762-S764 VanDerWaalsContact O-N 3.1Å
765	T	26.5	Very low	35.1	Very low	105 Å²	105	124 Å²	124	64%	0.644	72%	0.719	S	S	*	*			trans	-55.5	143.3	161.8	41.7	0	0	0	0	108.3	T763 D767	T763-T765 PolarHBondContact O-N 2.9Å; T765-D767 PolarHBondContact O-N 3.44Å; T765-D767 VanDerWaalsContact O-N 3.1Å
766	P	27.7	Very low	37.1	Very low	113 Å²	113	118.1 Å²	118.1	73%	0.734	68%	0.682	S	S	*	*			trans	-58.7	122.3	175.2	26.3	-30.9	0	0	0	107.3	T768	P766-T768 PolarHBondContact O-N 3.23Å
767	D	31.8	Very low	38.9	Very low	128 Å²	128	113.5 Å²	113.5	68%	0.684	65%	0.654	S	S	*	*			trans	-61.9	82.3	177.3	-66.4	-42	0	0	0	109.4	T765 E769	T765-D767 PolarHBondContact O-N 3.44Å; T765-D767 VanDerWaalsContact O-N 3.1Å; D767-E769 PolarHBondContact O-N 3.28Å
768	T	36.8	Very low	40.7	Very low	111 Å²	111	113.6 Å²	113.6	68%	0.681	65%	0.646	S	S	*	*			trans	-62.9	112.8	154.8	27.6	0	0	0	0	105.9	P766 V770	P766-T768 PolarHBondContact O-N 3.23Å; T768-V770 PolarHBondContact O-N 2.94Å
769	E	41.7	Very low	42.9	Very low	92 Å²	92	110.8 Å²	110.8	43%	0.43	61%	0.614	S	S	.	*			trans	-52.2	94.1	167.6	-75.5	-176.4	177.3	0	0	107.9	D767 D771 S800 R961	D767-E769 PolarHBondContact O-N 3.28Å; E769-D771 PolarHBondContact O-N 3.15Å; E769-D771 VanDerWaalsContact O-N 3.08Å; E769-S800 PolarHBondContact OE1-OG 3.34Å; E769-R961 IonicContact OE2-CZ 3.8Å; E769-R961 IonicContact OE2-NE 3.7Å; E769-R961 PolarHBondContact OE2-NE 3.46Å; E769-R961 IonicContact OE2-NH2 2.86Å; E769-R961 PolarHBondContact OE2-NH2 3.46Å
770	V	44.8	Very low	44.9	Very low	120 Å²	120	110.5 Å²	110.5	73%	0.727	60%	0.603	S	S	*	*			trans	-80.6	62.8	158.1	-161	0	0	0	0	105.2	T768 E772	T768-V770 PolarHBondContact O-N 2.94Å; V770-E772 PolarHBondContact O-N 3.35Å
771	D	50	Low	46.2	Very low	57 Å²	57	110.5 Å²	110.5	31%	0.305	59%	0.593	S	S	.	*			trans	-61.4	109.2	146.6	-100.3	20.8	0	0	0	102.2	E769 E773 S801 K811 R961	E769-D771 PolarHBondContact O-N 3.15Å; E769-D771 VanDerWaalsContact O-N 3.08Å; D771-E773 VanDerWaalsContact C-N 3.3Å; D771-E773 PolarHBondContact O-N 3.35Å; D771-S801 PolarHBondContact OD1-OG 3.46Å; D771-S801 PolarHBondContact OD2-OG 3.38Å; D771-K811 IonicContact OD2-NZ 3.51Å; D771-K811 PolarHBondContact OD2-NZ 3.18Å; D771-R961 IonicContact OD1-NH2 3.68Å; D771-R961 IonicContact OD2-CZ 2.75Å; D771-R961 IonicContact OD2-NH1 3.58Å; D771-R961 PolarHBondContact OD2-NH1 2.85Å; D771-R961 IonicContact OD2-NH2 3.72Å; D771-R961 PolarHBondContact OD2-NH2 3.36Å
772	E	45.5	Very low	48.2	Very low	163 Å²	163	108.8 Å²	108.8	76%	0.762	58%	0.579	S	S	*	*			trans	-46.2	107.8	168	-72	-178.5	167.1	0	0	105.4	V770 F774	V770-E772 PolarHBondContact O-N 3.35Å; E772-F774 PolarHBondContact O-N 2.94Å
773	E	49.1	Very low	50.7	Low	146 Å²	146	98.5 Å²	98.5	68%	0.682	54%	0.541	S	S	*	.			trans	-68.6	77.8	168.4	-170.1	165.7	-157.2	0	0	103.6	D771 N775	D771-E773 VanDerWaalsContact C-N 3.3Å; D771-E773 PolarHBondContact O-N 3.35Å; E773-N775 PolarHBondContact O-N 3.34Å
774	F	51.6	Low	53.2	Low	94 Å²	94	94.8 Å²	94.8	41%	0.412	52%	0.519	S	S	.	.			trans	-54	114.3	175.6	-168.6	-93	0	0	0	103.4	E772 F776	E772-F774 PolarHBondContact O-N 2.94Å; F774-F776 AromaticContact CD1-CD2 3.76Å; F774-F776 HydrophobicContact CD1-CD2 3.76Å; F774-F776 HydrophobicContact CD1-CE2 4.29Å; F774-F776 HydrophobicContact CD1-CG 4.37Å; F774-F776 HydrophobicContact CE1-CD2 4.5Å; F774-F776 PolarHBondContact O-N 3.29Å
775	N	58.1	Low	56	Low	152 Å²	152	89.4 Å²	89.4	81%	0.813	48%	0.481	S	S	*	.			trans	-64.6	85.9	178.7	-172.3	27.6	0	0	0	106.6	E773 P777	E773-N775 PolarHBondContact O-N 3.34Å; N775-P777 VanDerWaalsContact O-CD 3.28Å; N775-P777 WeakPolarHBondContact O-CD 3.24Å
776	F	67.5	Low	58.8	Low	19 Å²	19	84.5 Å²	84.5	8%	0.083	45%	0.451	C	S	.	.			trans	-72	112.8	-168.3	-141.1	-81.7	0	0	0	105.8	F774 M786 A789 H790 H793 A814 A818	F774-F776 AromaticContact CD1-CD2 3.76Å; F774-F776 HydrophobicContact CD1-CD2 3.76Å; F774-F776 HydrophobicContact CD1-CE2 4.29Å; F774-F776 HydrophobicContact CD1-CG 4.37Å; F774-F776 HydrophobicContact CE1-CD2 4.5Å; F774-F776 PolarHBondContact O-N 3.29Å; F776-M786 HydrophobicContact CE1-SD 4.47Å; F776-A789 HydrophobicContact CE1-CB 4.05Å; F776-A789 HydrophobicContact CZ-CB 4.22Å; F776-H790 HydrophobicContact CD1-CB 4.48Å; F776-H790 HydrophobicContact CE1-CB 4.48Å; F776-H793 HydrophobicContact CD1-CB 4.37Å; F776-H793 HydrophobicContact CD2-CB 4.11Å; F776-H793 AromaticContact CD2-CD2 3.8Å; F776-H793 AromaticContact CD2-CE1 3.85Å; F776-H793 AromaticContact CD2-CG 3.54Å; F776-H793 AromaticContact CD2-ND1 3.58Å; F776-H793 HydrophobicContact CE1-CB 4.16Å; F776-H793 HydrophobicContact CE2-CB 3.9Å; F776-H793 AromaticContact CE2-CG 3.74Å; F776-H793 AromaticContact CE2-ND1 3.73Å; F776-H793 HydrophobicContact CG-CB 4.33Å; F776-H793 AromaticContact CG-CD2 3.81Å; F776-H793 AromaticContact CG-CG 3.89Å; F776-H793 HydrophobicContact CZ-CB 3.91Å; F776-A814 HydrophobicContact CE2-CB 4.38Å; F776-A814 HydrophobicContact CZ-CB 4.15Å; F776-A814 WeakPolarHBondContact CZ-O 3.31Å; F776-A818 HydrophobicContact CE1-CB 3.83Å; F776-A818 HydrophobicContact CZ-CB 3.74Å
777	P	67.8	Low	61.2	Low	40 Å²	40	79.4 Å²	79.4	26%	0.26	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-60.9	130	-172.4	21.3	-29.4	0	0	0	109	N775 M786	N775-P777 VanDerWaalsContact O-CD 3.28Å; N775-P777 WeakPolarHBondContact O-CD 3.24Å; P777-M786 HydrophobicContact CG-CE 3.87Å; P777-M786 HydrophobicContact CG-SD 4.05Å
778	P	68.5	Low	63.6	Low	102 Å²	102	73.5 Å²	73.5	66%	0.662	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-62.9	135.9	175.4	25.2	-31.7	0	0	0	108.8
779	P	71.2	Confident	66.1	Low	20 Å²	20	68.2 Å²	68.2	13%	0.13	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-67.4	136.8	-179.6	26.9	-33.7	0	0	0	111	P290 M786 A787 H790	P290-P779 HydrophobicContact CG-CG 4.35Å; P779-M786 HydrophobicContact CB-CB 4.25Å; P779-M786 HydrophobicContact CB-CG 4.01Å; P779-A787 HydrophobicContact CB-CB 4.06Å; P779-A787 HydrophobicContact CG-CB 4.36Å; P779-H790 HydrophobicContact CG-CB 4.26Å
780	E	71.9	Confident	68.1	Low	129 Å²	129	66 Å²	66	60%	0.603	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-82.8	163.6	167	-60.2	180	160.2	0	0	111.1	N782 Q783	E780-N782 PolarHBondContact O-N 2.85Å; E780-Q783 HydrophobicContact CB-CG 4.11Å; E780-Q783 PolarHBondContact O-N 3.13Å; E780-Q783 VanDerWaalsContact O-N 3.09Å; E780-Q783 PolarHBondContact OE2-NE2 3.48Å
781	E	55.5	Low	69.7	Low	118 Å²	118	60.8 Å²	60.8	55%	0.551	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-27.3	-173.2	-109.5	171.3	177.9	0	0	114.4
782	N	68.3	Low	71.4	Confident	108 Å²	108	58 Å²	58	58%	0.578	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	27.8	-178.9	-67.2	-25.1	0	0	0	113.8	E780 P784	E780-N782 PolarHBondContact O-N 2.85Å; N782-P784 WeakPolarHBondContact O-CD 3.44Å
783	Q	78.7	Confident	73.4	Confident	17 Å²	17	52.1 Å²	52.1	8%	0.079	27%	0.271	C	S	.	.			trans	-122.3	73.2	-177.9	-58.5	-174.9	15.5	0	0	112.7	E780 I785 M786 A787 R825	E780-Q783 HydrophobicContact CB-CG 4.11Å; E780-Q783 PolarHBondContact O-N 3.13Å; E780-Q783 VanDerWaalsContact O-N 3.09Å; E780-Q783 PolarHBondContact OE2-NE2 3.48Å; Q783-I785 PolarHBondContact O-N 2.94Å; Q783-M786 HydrophobicContact CB-CB 3.82Å; Q783-M786 PolarHBondContact O-N 2.72Å; Q783-A787 PolarHBondContact O-N 2.96Å; Q783-R825 VanDerWaalsContact NE2-NH1 3.14Å
784	P	78	Confident	74.9	Confident	40 Å²	40	47.3 Å²	47.3	26%	0.26	25%	0.249	S	C	.	.	H	α-helix	trans	-65.5	-34.8	-172.5	24.4	-34	0	0	0	114.1	N782 A788 V924 Q928	N782-P784 WeakPolarHBondContact O-CD 3.44Å; P784-A788 PolarHBondContact O-N 3.08Å; P784-V924 HydrophobicContact CB-CG1 3.58Å; P784-V924 HydrophobicContact CG-CB 4.47Å; P784-V924 HydrophobicContact CG-CG1 3.48Å; P784-V924 VanDerWaalsContact CG-CG1 3.48Å; P784-V924 HydrophobicContact CG-CG2 4.07Å; P784-Q928 VanDerWaalsContact CB-NE2 3.27Å; P784-Q928 PolarHBondContact O-NE2 3.12Å
785	I	84.9	Confident	76.2	Confident	4 Å²	4	43.8 Å²	43.8	2%	0.021	23%	0.233	C	C	.	.	H	α-helix	trans	-70.2	-44.4	176.5	-57.9	178	0	0	0	110.2	Q783 A787 A788 A789 M817 V824 V924 A927	Q783-I785 PolarHBondContact O-N 2.94Å; I785-A787 VanDerWaalsContact C-N 3.31Å; I785-A787 PolarHBondContact O-N 3.3Å; I785-A788 WeakPolarHBondContact O-CB 3.49Å; I785-A788 PolarHBondContact O-N 3.44Å; I785-A789 PolarHBondContact O-N 3.33Å; I785-M817 HydrophobicContact CG2-CG 3.92Å; I785-M817 HydrophobicContact CG2-SD 3.68Å; I785-V824 HydrophobicContact CD1-CB 4.49Å; I785-V824 HydrophobicContact CD1-CG1 4.38Å; I785-V824 HydrophobicContact CD1-CG2 4.36Å; I785-V924 HydrophobicContact CD1-CG2 3.91Å; I785-V924 HydrophobicContact CG1-CB 4.39Å; I785-V924 HydrophobicContact CG1-CG1 4.49Å; I785-V924 HydrophobicContact CG1-CG2 3.9Å; I785-A927 HydrophobicContact CD1-CB 4.49Å; I785-A927 HydrophobicContact CG1-CB 4.14Å; I785-A927 HydrophobicContact CG2-CB 4.28Å
786	M	85.9	Confident	77.6	Confident	1 Å²	1	36.5 Å²	36.5	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-61.4	-40.2	175.6	-170.9	60	76.5	0	0	111.6	F776 P777 P779 Q783 A788 A789 H790 A818 S821 Q822	F776-M786 HydrophobicContact CE1-SD 4.47Å; P777-M786 HydrophobicContact CG-CE 3.87Å; P777-M786 HydrophobicContact CG-SD 4.05Å; P779-M786 HydrophobicContact CB-CB 4.25Å; P779-M786 HydrophobicContact CB-CG 4.01Å; Q783-M786 HydrophobicContact CB-CB 3.82Å; Q783-M786 PolarHBondContact O-N 2.72Å; M786-A788 VanDerWaalsContact C-N 3.32Å; M786-A788 PolarHBondContact O-N 3.41Å; M786-A789 PolarHBondContact O-N 2.94Å; M786-H790 WeakPolarHBondContact O-CB 3.26Å; M786-H790 PolarHBondContact O-N 3.37Å; M786-A818 HydrophobicContact CE-CB 4.03Å; M786-A818 WeakPolarHBondContact CE-O 3.35Å; M786-A818 HydrophobicContact SD-CB 3.7Å; M786-S821 PolarHBondContact N-OG 3.08Å; M786-Q822 HydrophobicContact CE-CG 3.9Å
787	A	78.3	Confident	78.3	Confident	7 Å²	7	40.2 Å²	40.2	6%	0.058	21%	0.208	C	C	.	.	H	α-helix	trans	-61.2	-40.2	176.1	0	0	0	0	0	112.2	L266 P779 Q783 I785 A791	L266-A787 HydrophobicContact CD2-CB 4.41Å; P779-A787 HydrophobicContact CB-CB 4.06Å; P779-A787 HydrophobicContact CG-CB 4.36Å; Q783-A787 PolarHBondContact O-N 2.96Å; I785-A787 VanDerWaalsContact C-N 3.31Å; I785-A787 PolarHBondContact O-N 3.3Å; A787-A791 WeakPolarHBondContact O-CB 3.27Å; A787-A791 PolarHBondContact O-N 2.79Å
788	A	81.6	Confident	79	Confident	4 Å²	4	41.2 Å²	41.2	3%	0.033	21%	0.211	C	C	.	.	H	α-helix	trans	-66.9	-42.2	175.1	0	0	0	0	0	112.3	P784 I785 M786 A791 L792 Q928 M931	P784-A788 PolarHBondContact O-N 3.08Å; I785-A788 WeakPolarHBondContact O-CB 3.49Å; I785-A788 PolarHBondContact O-N 3.44Å; M786-A788 VanDerWaalsContact C-N 3.32Å; M786-A788 PolarHBondContact O-N 3.41Å; A788-A791 WeakPolarHBondContact O-CB 3.48Å; A788-A791 PolarHBondContact O-N 3.37Å; A788-L792 PolarHBondContact O-N 3.05Å; A788-L792 VanDerWaalsContact O-N 3.14Å; A788-Q928 HydrophobicContact CB-CG 4.05Å; A788-M931 HydrophobicContact CB-CB 4.02Å; A788-M931 HydrophobicContact CB-CG 3.95Å
789	A	88.7	Confident	79.7	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.7	-46.4	174.5	0	0	0	0	0	111.7	F776 I785 M786 A791 L792 H793 M817 A818	F776-A789 HydrophobicContact CE1-CB 4.05Å; F776-A789 HydrophobicContact CZ-CB 4.22Å; I785-A789 PolarHBondContact O-N 3.33Å; M786-A789 PolarHBondContact O-N 2.94Å; A789-A791 VanDerWaalsContact C-N 3.32Å; A789-A791 PolarHBondContact O-N 3.11Å; A789-L792 PolarHBondContact O-N 2.85Å; A789-H793 WeakPolarHBondContact O-CB 3.42Å; A789-H793 PolarHBondContact O-N 2.99Å; A789-M817 HydrophobicContact CB-CB 3.82Å; A789-M817 HydrophobicContact CB-CG 3.95Å; A789-A818 HydrophobicContact CB-CB 4.15Å
790	H	83.5	Confident	80.4	Confident	46 Å²	46	37 Å²	37	21%	0.213	18%	0.18	C	C	.	.	H	α-helix	trans	-63.8	-36.7	178	-175.6	-92.2	0	0	0	111.9	F776 P779 M786 H793 H794	F776-H790 HydrophobicContact CD1-CB 4.48Å; F776-H790 HydrophobicContact CE1-CB 4.48Å; P779-H790 HydrophobicContact CG-CB 4.26Å; M786-H790 WeakPolarHBondContact O-CB 3.26Å; M786-H790 PolarHBondContact O-N 3.37Å; H790-H793 PolarHBondContact O-N 3.31Å; H790-H794 WeakPolarHBondContact O-CB 3.3Å; H790-H794 PolarHBondContact O-N 3.43Å
791	A	78.5	Confident	81	Confident	9 Å²	9	32 Å²	32	7%	0.074	16%	0.16	C	C	.	.	H	α-helix	trans	-59.5	-51.1	174.1	0	0	0	0	0	112.2	A787 A788 A789 H793 H794 E795 I935	A787-A791 WeakPolarHBondContact O-CB 3.27Å; A787-A791 PolarHBondContact O-N 2.79Å; A788-A791 WeakPolarHBondContact O-CB 3.48Å; A788-A791 PolarHBondContact O-N 3.37Å; A789-A791 VanDerWaalsContact C-N 3.32Å; A789-A791 PolarHBondContact O-N 3.11Å; A791-H793 VanDerWaalsContact C-N 3.32Å; A791-H793 PolarHBondContact O-N 3.39Å; A791-H794 PolarHBondContact O-N 3.02Å; A791-E795 PolarHBondContact O-N 3.3Å; A791-I935 HydrophobicContact CB-CD1 4.11Å
792	L	86.9	Confident	82.2	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.1	-39.7	177.9	178.4	62.9	0	0	0	111.1	A788 A789 H794 E795 T796 M813 A814 M931 V934 I935 L938	A788-L792 PolarHBondContact O-N 3.05Å; A788-L792 VanDerWaalsContact O-N 3.14Å; A789-L792 PolarHBondContact O-N 2.85Å; L792-H794 VanDerWaalsContact C-N 3.34Å; L792-H794 PolarHBondContact O-N 3.25Å; L792-E795 PolarHBondContact O-N 2.85Å; L792-T796 HydrophobicContact CD1-CG2 3.75Å; L792-T796 HydrophobicContact CG-CG2 4.13Å; L792-T796 WeakPolarHBondContact O-CB 3.39Å; L792-T796 VanDerWaalsContact O-CG2 3.25Å; L792-T796 WeakPolarHBondContact O-CG2 3.42Å; L792-T796 PolarHBondContact O-N 3.3Å; L792-T796 PolarHBondContact O-OG1 2.99Å; L792-M813 HydrophobicContact CD2-CB 4.04Å; L792-A814 HydrophobicContact CB-CB 4.25Å; L792-A814 HydrophobicContact CD2-CB 4.04Å; L792-A814 HydrophobicContact CG-CB 4.06Å; L792-M931 HydrophobicContact CB-SD 4.11Å; L792-M931 HydrophobicContact CD2-CE 4.39Å; L792-M931 HydrophobicContact CD2-SD 3.36Å; L792-M931 WeakPolarHBondContact CD2-SD 3.29Å; L792-M931 HydrophobicContact CG-SD 4.36Å; L792-V934 HydrophobicContact CD1-CB 4.26Å; L792-V934 HydrophobicContact CD1-CG1 3.63Å; L792-V934 HydrophobicContact CD2-CB 4.5Å; L792-V934 HydrophobicContact CD2-CG1 4.02Å; L792-I935 HydrophobicContact CB-CD1 4.39Å; L792-I935 HydrophobicContact CB-CG1 4.3Å; L792-I935 HydrophobicContact CD1-CG1 3.68Å; L792-L938 HydrophobicContact CD1-CD1 4.13Å
793	H	87	Confident	82.8	Confident	38 Å²	38	32.9 Å²	32.9	18%	0.176	16%	0.158	C	C	.	.	H	α-helix	trans	-60.6	-43.7	176	-177.9	67.4	0	0	0	112	F776 A789 H790 A791 E795 T796 R797 A814	F776-H793 HydrophobicContact CD1-CB 4.37Å; F776-H793 HydrophobicContact CD2-CB 4.11Å; F776-H793 AromaticContact CD2-CD2 3.8Å; F776-H793 AromaticContact CD2-CE1 3.85Å; F776-H793 AromaticContact CD2-CG 3.54Å; F776-H793 AromaticContact CD2-ND1 3.58Å; F776-H793 HydrophobicContact CE1-CB 4.16Å; F776-H793 HydrophobicContact CE2-CB 3.9Å; F776-H793 AromaticContact CE2-CG 3.74Å; F776-H793 AromaticContact CE2-ND1 3.73Å; F776-H793 HydrophobicContact CG-CB 4.33Å; F776-H793 AromaticContact CG-CD2 3.81Å; F776-H793 AromaticContact CG-CG 3.89Å; F776-H793 HydrophobicContact CZ-CB 3.91Å; A789-H793 WeakPolarHBondContact O-CB 3.42Å; A789-H793 PolarHBondContact O-N 2.99Å; H790-H793 PolarHBondContact O-N 3.31Å; A791-H793 VanDerWaalsContact C-N 3.32Å; A791-H793 PolarHBondContact O-N 3.39Å; H793-E795 VanDerWaalsContact C-N 3.29Å; H793-E795 PolarHBondContact O-N 3.25Å; H793-T796 WeakPolarHBondContact CA-OG1 3.42Å; H793-T796 PolarHBondContact O-N 2.85Å; H793-T796 PolarHBondContact O-OG1 3.5Å; H793-R797 VanDerWaalsContact O-CB 3.32Å; H793-R797 WeakPolarHBondContact O-CB 3.33Å; H793-R797 WeakPolarHBondContact O-CG 3.38Å; H793-R797 PolarHBondContact O-N 3.41Å; H793-A814 HydrophobicContact CB-CB 4.06Å
794	H	81.1	Confident	83.3	Confident	46 Å²	46	32.2 Å²	32.2	21%	0.213	16%	0.155	C	C	.	.	H	α-helix	trans	-61.4	-37.4	179	-169.3	97.9	0	0	0	112.6	H790 A791 L792 R797	H790-H794 WeakPolarHBondContact O-CB 3.3Å; H790-H794 PolarHBondContact O-N 3.43Å; A791-H794 PolarHBondContact O-N 3.02Å; L792-H794 VanDerWaalsContact C-N 3.34Å; L792-H794 PolarHBondContact O-N 3.25Å; H794-R797 PolarHBondContact CE1-NH2 2.86Å; H794-R797 PolarHBondContact ND1-NH2 3.48Å; H794-R797 VanDerWaalsContact ND1-NH2 3.13Å; H794-R797 WeakPolarHBondContact O-CG 3.45Å
795	E	78.8	Confident	83.9	Confident	19 Å²	19	37.5 Å²	37.5	9%	0.089	18%	0.176	C	C	.	.	H	α-helix	trans	-75.1	-45.2	178.6	-164.7	65.3	-162	0	0	111.5	A791 L792 H793 R797 L798 I935 H939 R982	A791-E795 PolarHBondContact O-N 3.3Å; L792-E795 PolarHBondContact O-N 2.85Å; H793-E795 VanDerWaalsContact C-N 3.29Å; H793-E795 PolarHBondContact O-N 3.25Å; E795-R797 PolarHBondContact O-N 3.3Å; E795-L798 WeakPolarHBondContact O-CB 3.41Å; E795-L798 PolarHBondContact O-N 3.48Å; E795-I935 HydrophobicContact CG-CG2 4.32Å; E795-H939 IonicContact OE1-CD2 2.69Å; E795-H939 IonicContact OE1-CE1 2.77Å; E795-H939 IonicContact OE1-NE2 2.82Å; E795-H939 PolarHBondContact OE1-NE2 3.35Å; E795-H939 IonicContact OE2-NE2 3.82Å; E795-R982 IonicContact OE1-CZ 2.77Å; E795-R982 IonicContact OE1-NH1 3.49Å; E795-R982 IonicContact OE1-NH2 3.56Å; E795-R982 PolarHBondContact OE1-NH2 2.89Å
796	T	87.1	Confident	84.3	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-71.1	-29.6	-176.3	54.1	0	0	0	0	113.3	L792 H793 L798 W799 T810 K811 L938	L792-T796 HydrophobicContact CD1-CG2 3.75Å; L792-T796 HydrophobicContact CG-CG2 4.13Å; L792-T796 WeakPolarHBondContact O-CB 3.39Å; L792-T796 VanDerWaalsContact O-CG2 3.25Å; L792-T796 WeakPolarHBondContact O-CG2 3.42Å; L792-T796 PolarHBondContact O-N 3.3Å; L792-T796 PolarHBondContact O-OG1 2.99Å; H793-T796 WeakPolarHBondContact CA-OG1 3.42Å; H793-T796 PolarHBondContact O-N 2.85Å; H793-T796 PolarHBondContact O-OG1 3.5Å; T796-L798 PolarHBondContact O-N 2.91Å; T796-W799 PolarHBondContact O-N 3.27Å; T796-T810 VanDerWaalsContact CG2-OG1 3.27Å; T796-T810 WeakPolarHBondContact CG2-OG1 3.42Å; T796-K811 WeakPolarHBondContact O-CE 3.43Å; T796-L938 HydrophobicContact CG2-CD1 3.57Å
797	R	83.3	Confident	84.6	Confident	97 Å²	97	37.2 Å²	37.2	37%	0.366	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-17.3	177.9	75.3	-179.2	-172.9	167.5	4.5	113.7	H793 H794 E795 W799	H793-R797 VanDerWaalsContact O-CB 3.32Å; H793-R797 WeakPolarHBondContact O-CB 3.33Å; H793-R797 WeakPolarHBondContact O-CG 3.38Å; H793-R797 PolarHBondContact O-N 3.41Å; H794-R797 PolarHBondContact CE1-NH2 2.86Å; H794-R797 PolarHBondContact ND1-NH2 3.48Å; H794-R797 VanDerWaalsContact ND1-NH2 3.13Å; H794-R797 WeakPolarHBondContact O-CG 3.45Å; E795-R797 PolarHBondContact O-N 3.3Å; R797-W799 PolarHBondContact O-N 3.08Å
798	L	80.6	Confident	85.3	Confident	61 Å²	61	38.7 Å²	38.7	32%	0.319	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-22.6	175.9	-60.5	177.1	0	0	0	111.5	E795 T796 P960 R961	E795-L798 WeakPolarHBondContact O-CB 3.41Å; E795-L798 PolarHBondContact O-N 3.48Å; T796-L798 PolarHBondContact O-N 2.91Å; L798-P960 CarbonylContact O-C 3.53Å; L798-P960 WeakPolarHBondContact O-CA 3.32Å; L798-R961 PolarHBondContact O-N 2.97Å
799	W	84.3	Confident	85.9	Confident	25 Å²	25	38.6 Å²	38.6	10%	0.095	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-111.7	142.6	-173.9	-51.7	104.2	0	0	0	111.4	T796 R797 I807 K811 E942 W958 P960	T796-W799 PolarHBondContact O-N 3.27Å; R797-W799 PolarHBondContact O-N 3.08Å; W799-I807 HydrophobicContact CB-CD1 3.83Å; W799-I807 HydrophobicContact CB-CG1 4Å; W799-I807 HydrophobicContact CB-CG2 4.16Å; W799-I807 HydrophobicContact CG-CD1 4.02Å; W799-K811 PolarHBondContact O-NZ 2.9Å; W799-E942 VanDerWaalsContact CH2-OE1 3.28Å; W799-E942 WeakPolarHBondContact CH2-OE1 3.33Å; W799-W958 AromaticContact CD2-CE3 3.63Å; W799-W958 HydrophobicContact CD2-CE3 3.63Å; W799-W958 HydrophobicContact CD2-CZ3 4.1Å; W799-W958 AromaticContact CE2-CE3 3.82Å; W799-W958 HydrophobicContact CE3-CB 4.11Å; W799-W958 AromaticContact CE3-CE3 3.8Å; W799-W958 HydrophobicContact CE3-CE3 3.8Å; W799-W958 HydrophobicContact CG-CE3 4.06Å; W799-W958 HydrophobicContact CG-CZ3 4.17Å; W799-W958 HydrophobicContact CH2-CE3 4.27Å; W799-W958 HydrophobicContact CZ2-CE3 4.14Å; W799-W958 HydrophobicContact CZ3-CB 3.81Å; W799-W958 HydrophobicContact CZ3-CE3 4.11Å; W799-P960 HydrophobicContact CZ3-CG 4.13Å
800	S	85.4	Confident	86.2	Confident	8 Å²	8	38.6 Å²	38.6	6%	0.056	19%	0.187	C	C	.	.			trans	-69.5	138.9	166.3	177.3	0	0	0	0	109.5	E769 R802 N959	E769-S800 PolarHBondContact OE1-OG 3.34Å; S800-R802 WeakPolarHBondContact OG-CB 3.14Å; S800-R802 PolarHBondContact OG-N 2.96Å; S800-N959 PolarHBondContact N-O 2.82Å
801	S	85.4	Confident	86.6	Confident	25 Å²	25	37.9 Å²	37.9	18%	0.175	18%	0.183	C	C	.	.			trans	-77.7	-10.9	171.2	19.8	0	0	0	0	112.1	D771 D803 N804 K811	D771-S801 PolarHBondContact OD1-OG 3.46Å; D771-S801 PolarHBondContact OD2-OG 3.38Å; S801-D803 PolarHBondContact O-N 2.98Å; S801-N804 PolarHBondContact O-N 3.45Å; S801-K811 PolarHBondContact OG-NZ 2.96Å
802	R	79.4	Confident	87.4	Confident	134 Å²	134	43.6 Å²	43.6	51%	0.506	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	123.7	-179.8	-171.2	178.2	179.9	146.1	7.1	109.7	S800 N804	S800-R802 WeakPolarHBondContact OG-CB 3.14Å; S800-R802 PolarHBondContact OG-N 2.96Å; R802-N804 PolarHBondContact O-N 2.88Å
803	D	81	Confident	87.7	Confident	110 Å²	110	43.6 Å²	43.6	59%	0.588	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	27.5	-179	-49.9	-45.9	0	0	0	113.8	S801 I957	S801-D803 PolarHBondContact O-N 2.98Å; D803-I957 HydrophobicContact CB-CD1 4.06Å
804	N	88.9	Confident	88	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.011	19%	0.194	C	C	.	.			trans	-141.5	87.8	177.1	-165.6	-28.8	0	0	0	111.1	S801 R802 L806 I807 A808 I957	S801-N804 PolarHBondContact O-N 3.45Å; R802-N804 PolarHBondContact O-N 2.88Å; N804-L806 PolarHBondContact O-N 3.12Å; N804-L806 WeakPolarHBondContact OD1-CB 3.44Å; N804-L806 PolarHBondContact OD1-N 3.43Å; N804-I807 HydrophobicContact CB-CB 4.18Å; N804-I807 HydrophobicContact CB-CG1 4.2Å; N804-I807 VanDerWaalsContact CG-CG1 3.48Å; N804-I807 WeakPolarHBondContact ND2-CG1 3.46Å; N804-I807 PolarHBondContact O-N 3.27Å; N804-I807 VanDerWaalsContact O-N 3.13Å; N804-I807 PolarHBondContact OD1-N 3.48Å; N804-A808 PolarHBondContact O-N 3.08Å; N804-I957 PolarHBondContact ND2-O 3.43Å
805	E	91.2	Very high	88.6	Confident	151 Å²	151	40.9 Å²	40.9	71%	0.706	19%	0.194	S	C	*	.	H	α-helix	trans	-60.1	-32.1	-179.2	-66.1	-175.5	171.6	0	0	112.6	A808 A809	E805-A808 PolarHBondContact O-N 3.4Å; E805-A809 WeakPolarHBondContact O-CB 3.42Å; E805-A809 PolarHBondContact O-N 3.09Å
806	L	92.9	Very high	89.3	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.9	-45.5	175.5	178.8	64.4	0	0	0	111	N804 A809 T810 V848 C851 L938 A941 F956 W958	N804-L806 PolarHBondContact O-N 3.12Å; N804-L806 WeakPolarHBondContact OD1-CB 3.44Å; N804-L806 PolarHBondContact OD1-N 3.43Å; L806-A809 PolarHBondContact O-N 3.1Å; L806-T810 HydrophobicContact CD1-CG2 4.43Å; L806-T810 WeakPolarHBondContact O-CB 3.44Å; L806-T810 VanDerWaalsContact O-CG2 3.31Å; L806-T810 WeakPolarHBondContact O-CG2 3.49Å; L806-T810 PolarHBondContact O-N 3.11Å; L806-T810 PolarHBondContact O-OG1 3.45Å; L806-V848 HydrophobicContact CD1-CB 4.34Å; L806-V848 HydrophobicContact CD1-CG1 3.85Å; L806-V848 HydrophobicContact CD1-CG2 4.32Å; L806-C851 HydrophobicContact CB-CB 3.98Å; L806-C851 HydrophobicContact CD1-CB 3.98Å; L806-L938 HydrophobicContact CD1-CD2 4.43Å; L806-L938 HydrophobicContact CD2-CD2 3.92Å; L806-L938 HydrophobicContact CG-CD2 3.78Å; L806-A941 HydrophobicContact CD2-CB 3.57Å; L806-F956 HydrophobicContact CB-CE1 4.11Å; L806-W958 HydrophobicContact CD2-CH2 4.44Å; L806-W958 HydrophobicContact CD2-CZ2 4.44Å
807	I	92.8	Very high	89.6	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-66.4	-38.6	175.8	-65	-64.6	0	0	0	111.3	W799 N804 T810 K811 L938 W958	W799-I807 HydrophobicContact CB-CD1 3.83Å; W799-I807 HydrophobicContact CB-CG1 4Å; W799-I807 HydrophobicContact CB-CG2 4.16Å; W799-I807 HydrophobicContact CG-CD1 4.02Å; N804-I807 HydrophobicContact CB-CB 4.18Å; N804-I807 HydrophobicContact CB-CG1 4.2Å; N804-I807 VanDerWaalsContact CG-CG1 3.48Å; N804-I807 WeakPolarHBondContact ND2-CG1 3.46Å; N804-I807 PolarHBondContact O-N 3.27Å; N804-I807 VanDerWaalsContact O-N 3.13Å; N804-I807 PolarHBondContact OD1-N 3.48Å; I807-T810 WeakPolarHBondContact CA-OG1 3.37Å; I807-T810 PolarHBondContact O-N 3.43Å; I807-T810 PolarHBondContact O-OG1 3.01Å; I807-T810 VanDerWaalsContact O-OG1 3.04Å; I807-K811 HydrophobicContact CG2-CD 4.21Å; I807-K811 HydrophobicContact CG2-CG 4.42Å; I807-K811 WeakPolarHBondContact O-CB 3.39Å; I807-K811 WeakPolarHBondContact O-CG 3.45Å; I807-K811 PolarHBondContact O-N 3.17Å; I807-L938 HydrophobicContact CD1-CD2 3.69Å; I807-W958 HydrophobicContact CD1-CH2 4.24Å; I807-W958 HydrophobicContact CD1-CZ3 3.77Å; I807-W958 HydrophobicContact CG1-CZ3 4.27Å
808	A	92.6	Very high	90	Very high	37 Å²	37	36.5 Å²	36.5	31%	0.306	18%	0.179	S	C	.	.	H	α-helix	trans	-62.9	-45.4	176	0	0	0	0	0	112.2	N804 E805 R812	N804-A808 PolarHBondContact O-N 3.08Å; E805-A808 PolarHBondContact O-N 3.4Å; A808-R812 PolarHBondContact O-N 3.3Å; A808-R812 VanDerWaalsContact O-N 3.09Å
809	A	94.3	Very high	90.4	Very high	3 Å²	3	36.8 Å²	36.8	3%	0.025	18%	0.179	C	C	.	.	H	α-helix	trans	-63.7	-43.3	177.8	0	0	0	0	0	111.9	E805 L806 R812 M813 D847 V848	E805-A809 WeakPolarHBondContact O-CB 3.42Å; E805-A809 PolarHBondContact O-N 3.09Å; L806-A809 PolarHBondContact O-N 3.1Å; A809-R812 WeakPolarHBondContact O-CB 3.42Å; A809-R812 PolarHBondContact O-N 3.24Å; A809-M813 WeakPolarHBondContact O-CG 3.13Å; A809-M813 PolarHBondContact O-N 3.12Å; A809-D847 HydrophobicContact CB-CB 3.93Å; A809-V848 HydrophobicContact CB-CG2 3.84Å
810	T	94.5	Very high	90.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-69.3	-37	179.1	51.4	0	0	0	0	113.3	T796 L806 I807 R812 M813 A814 V848 V934 L938	T796-T810 VanDerWaalsContact CG2-OG1 3.27Å; T796-T810 WeakPolarHBondContact CG2-OG1 3.42Å; L806-T810 HydrophobicContact CD1-CG2 4.43Å; L806-T810 WeakPolarHBondContact O-CB 3.44Å; L806-T810 VanDerWaalsContact O-CG2 3.31Å; L806-T810 WeakPolarHBondContact O-CG2 3.49Å; L806-T810 PolarHBondContact O-N 3.11Å; L806-T810 PolarHBondContact O-OG1 3.45Å; I807-T810 WeakPolarHBondContact CA-OG1 3.37Å; I807-T810 PolarHBondContact O-N 3.43Å; I807-T810 PolarHBondContact O-OG1 3.01Å; I807-T810 VanDerWaalsContact O-OG1 3.04Å; T810-R812 VanDerWaalsContact C-N 3.32Å; T810-R812 PolarHBondContact O-N 3.37Å; T810-M813 PolarHBondContact O-N 2.9Å; T810-A814 PolarHBondContact O-N 2.97Å; T810-V848 HydrophobicContact CG2-CG2 3.73Å; T810-V934 HydrophobicContact CG2-CG1 3.28Å; T810-L938 HydrophobicContact CG2-CD1 4.11Å; T810-L938 HydrophobicContact CG2-CD2 3.92Å; T810-L938 HydrophobicContact CG2-CG 4.12Å
811	K	92.7	Very high	90.9	Very high	31 Å²	31	35.3 Å²	35.3	14%	0.135	17%	0.173	C	C	.	.	H	α-helix	trans	-59.5	-42.4	169.2	-76.2	179	-180	175.7	0	111.7	D771 T796 W799 S801 I807 A814 A815	D771-K811 IonicContact OD2-NZ 3.51Å; D771-K811 PolarHBondContact OD2-NZ 3.18Å; T796-K811 WeakPolarHBondContact O-CE 3.43Å; W799-K811 PolarHBondContact O-NZ 2.9Å; S801-K811 PolarHBondContact OG-NZ 2.96Å; I807-K811 HydrophobicContact CG2-CD 4.21Å; I807-K811 HydrophobicContact CG2-CG 4.42Å; I807-K811 WeakPolarHBondContact O-CB 3.39Å; I807-K811 WeakPolarHBondContact O-CG 3.45Å; I807-K811 PolarHBondContact O-N 3.17Å; K811-A814 PolarHBondContact O-N 3.2Å; K811-A815 PolarHBondContact O-N 2.88Å; K811-A815 VanDerWaalsContact O-N 3.14Å
812	R	94.3	Very high	91	Very high	128 Å²	128	36.1 Å²	36.1	48%	0.483	17%	0.174	S	C	.	.	H	α-helix	trans	-62.1	-44.4	175.6	-168.4	-169.2	-62.5	149.4	1.4	111.4	A808 A809 T810 A814 A815 L816 D847	A808-R812 PolarHBondContact O-N 3.3Å; A808-R812 VanDerWaalsContact O-N 3.09Å; A809-R812 WeakPolarHBondContact O-CB 3.42Å; A809-R812 PolarHBondContact O-N 3.24Å; T810-R812 VanDerWaalsContact C-N 3.32Å; T810-R812 PolarHBondContact O-N 3.37Å; R812-A814 VanDerWaalsContact C-N 3.34Å; R812-A814 PolarHBondContact O-N 3.38Å; R812-A815 PolarHBondContact O-N 2.94Å; R812-L816 HydrophobicContact CG-CD1 4.02Å; R812-L816 HydrophobicContact CG-CG 4.46Å; R812-L816 WeakPolarHBondContact O-CG 3.17Å; R812-L816 PolarHBondContact O-N 3.41Å; R812-D847 IonicContact NH1-OD2 3.35Å; R812-D847 PolarHBondContact NH1-OD2 3.11Å
813	M	94.3	Very high	91.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-58.9	-44	175.8	-72.7	-177	77.4	0	0	112.1	L792 A809 T810 A815 L816 M817 I841 A844 V848 L930 M931 V934	L792-M813 HydrophobicContact CD2-CB 4.04Å; A809-M813 WeakPolarHBondContact O-CG 3.13Å; A809-M813 PolarHBondContact O-N 3.12Å; T810-M813 PolarHBondContact O-N 2.9Å; M813-A815 PolarHBondContact O-N 3.07Å; M813-L816 PolarHBondContact O-N 3.32Å; M813-M817 VanDerWaalsContact O-CB 3.25Å; M813-M817 WeakPolarHBondContact O-CB 3.41Å; M813-M817 PolarHBondContact O-N 3.43Å; M813-I841 HydrophobicContact CE-CG2 4.37Å; M813-A844 HydrophobicContact CG-CB 3.5Å; M813-A844 VanDerWaalsContact CG-CB 3.5Å; M813-A844 HydrophobicContact SD-CB 4.45Å; M813-V848 HydrophobicContact SD-CB 4.49Å; M813-V848 HydrophobicContact SD-CG2 3.66Å; M813-L930 HydrophobicContact CE-CD1 4.08Å; M813-L930 HydrophobicContact CE-CD2 3.91Å; M813-L930 HydrophobicContact CE-CG 3.88Å; M813-M931 HydrophobicContact CB-CE 4.32Å; M813-M931 HydrophobicContact CE-CE 4.02Å; M813-V934 HydrophobicContact CE-CG2 3.67Å; M813-V934 HydrophobicContact SD-CG1 4.44Å; M813-V934 HydrophobicContact SD-CG2 3.93Å
814	A	92.8	Very high	91.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-59.6	-48.7	177.3	0	0	0	0	0	111.4	F776 L792 H793 T810 K811 R812 L816 M817 A818	F776-A814 HydrophobicContact CE2-CB 4.38Å; F776-A814 HydrophobicContact CZ-CB 4.15Å; F776-A814 WeakPolarHBondContact CZ-O 3.31Å; L792-A814 HydrophobicContact CB-CB 4.25Å; L792-A814 HydrophobicContact CD2-CB 4.04Å; L792-A814 HydrophobicContact CG-CB 4.06Å; H793-A814 HydrophobicContact CB-CB 4.06Å; T810-A814 PolarHBondContact O-N 2.97Å; K811-A814 PolarHBondContact O-N 3.2Å; R812-A814 VanDerWaalsContact C-N 3.34Å; R812-A814 PolarHBondContact O-N 3.38Å; A814-L816 PolarHBondContact O-N 3.23Å; A814-M817 PolarHBondContact O-N 3.32Å; A814-A818 PolarHBondContact O-N 3.44Å
815	A	93.1	Very high	91.1	Very high	27 Å²	27	30.9 Å²	30.9	22%	0.223	15%	0.148	C	C	.	.	H	α-helix	trans	-61.6	-44.8	178.9	0	0	0	0	0	112.6	K811 R812 M813 M817 A818 Q819	K811-A815 PolarHBondContact O-N 2.88Å; K811-A815 VanDerWaalsContact O-N 3.14Å; R812-A815 PolarHBondContact O-N 2.94Å; M813-A815 PolarHBondContact O-N 3.07Å; A815-M817 VanDerWaalsContact C-N 3.31Å; A815-M817 PolarHBondContact O-N 3.37Å; A815-A818 PolarHBondContact O-N 2.85Å; A815-Q819 PolarHBondContact O-N 2.9Å; A815-Q819 VanDerWaalsContact O-N 3.13Å
816	L	94.5	Very high	90.4	Very high	23 Å²	23	26.4 Å²	26.4	12%	0.12	14%	0.143	C	C	.	.	H	α-helix	trans	-64.8	-35.4	176.3	-70	170.1	0	0	0	112	R812 M813 A814 Q819 L820 V837 A840 I841	R812-L816 HydrophobicContact CG-CD1 4.02Å; R812-L816 HydrophobicContact CG-CG 4.46Å; R812-L816 WeakPolarHBondContact O-CG 3.17Å; R812-L816 PolarHBondContact O-N 3.41Å; M813-L816 PolarHBondContact O-N 3.32Å; A814-L816 PolarHBondContact O-N 3.23Å; L816-Q819 WeakPolarHBondContact O-CB 3.4Å; L816-Q819 PolarHBondContact O-N 3.28Å; L816-L820 PolarHBondContact O-N 2.98Å; L816-V837 WeakPolarHBondContact O-CG1 3.33Å; L816-A840 HydrophobicContact CD1-CB 3.84Å; L816-A840 HydrophobicContact CD2-CB 4.08Å; L816-I841 HydrophobicContact CB-CD1 4.23Å; L816-I841 HydrophobicContact CB-CG1 3.54Å; L816-I841 HydrophobicContact CD1-CG1 4.29Å
817	M	93.5	Very high	89.5	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-70	-34.7	178	-166.1	56.8	120.7	0	0	112.4	I785 A789 M813 A814 A815 Q819 L820 S821 I841 A927 M931	I785-M817 HydrophobicContact CG2-CG 3.92Å; I785-M817 HydrophobicContact CG2-SD 3.68Å; A789-M817 HydrophobicContact CB-CB 3.82Å; A789-M817 HydrophobicContact CB-CG 3.95Å; M813-M817 VanDerWaalsContact O-CB 3.25Å; M813-M817 WeakPolarHBondContact O-CB 3.41Å; M813-M817 PolarHBondContact O-N 3.43Å; A814-M817 PolarHBondContact O-N 3.32Å; A815-M817 VanDerWaalsContact C-N 3.31Å; A815-M817 PolarHBondContact O-N 3.37Å; M817-Q819 VanDerWaalsContact C-N 3.35Å; M817-L820 HydrophobicContact CE-CD2 4.49Å; M817-L820 PolarHBondContact O-N 3.22Å; M817-L820 HydrophobicContact SD-CB 4.17Å; M817-L820 HydrophobicContact SD-CD2 3.57Å; M817-L820 VanDerWaalsContact SD-CD2 3.57Å; M817-L820 HydrophobicContact SD-CG 4.5Å; M817-S821 PolarHBondContact O-N 3.32Å; M817-I841 HydrophobicContact SD-CD1 4Å; M817-A927 HydrophobicContact CE-CB 3.18Å; M817-A927 VanDerWaalsContact CE-O 3.26Å; M817-A927 WeakPolarHBondContact CE-O 3.45Å; M817-A927 HydrophobicContact SD-CB 4.08Å; M817-M931 HydrophobicContact CB-CE 3.88Å; M817-M931 HydrophobicContact CB-SD 3.92Å; M817-M931 HydrophobicContact CE-CE 3.59Å; M817-M931 HydrophobicContact CE-CG 3.94Å; M817-M931 HydrophobicContact CE-SD 4.42Å; M817-M931 HydrophobicContact CG-CE 3.88Å; M817-M931 HydrophobicContact CG-CG 3.94Å; M817-M931 HydrophobicContact CG-SD 3.9Å; M817-M931 HydrophobicContact SD-CE 4.29Å
818	A	90.4	Very high	88.4	Confident	2 Å²	2	36 Å²	36	2%	0.017	18%	0.184	C	C	.	.	H	α-helix	trans	-62.8	-42.3	170.2	0	0	0	0	0	111.4	F776 M786 A789 A814 A815 S821 Q822	F776-A818 HydrophobicContact CE1-CB 3.83Å; F776-A818 HydrophobicContact CZ-CB 3.74Å; M786-A818 HydrophobicContact CE-CB 4.03Å; M786-A818 WeakPolarHBondContact CE-O 3.35Å; M786-A818 HydrophobicContact SD-CB 3.7Å; A789-A818 HydrophobicContact CB-CB 4.15Å; A814-A818 PolarHBondContact O-N 3.44Å; A815-A818 PolarHBondContact O-N 2.85Å; A818-S821 WeakPolarHBondContact O-CB 3.47Å; A818-S821 PolarHBondContact O-N 3.46Å; A818-Q822 WeakPolarHBondContact O-CG 3.45Å; A818-Q822 PolarHBondContact O-N 3.28Å
819	Q	90.9	Very high	87.4	Confident	66 Å²	66	36.4 Å²	36.4	31%	0.308	19%	0.192	S	C	.	.	H	α-helix	trans	-62.7	-43.7	173.7	-67.8	175.9	9.6	0	0	111.8	A815 L816 M817 S821 Q822 I823 V837	A815-Q819 PolarHBondContact O-N 2.9Å; A815-Q819 VanDerWaalsContact O-N 3.13Å; L816-Q819 WeakPolarHBondContact O-CB 3.4Å; L816-Q819 PolarHBondContact O-N 3.28Å; M817-Q819 VanDerWaalsContact C-N 3.35Å; Q819-S821 VanDerWaalsContact C-N 3.27Å; Q819-S821 PolarHBondContact O-N 2.93Å; Q819-Q822 PolarHBondContact O-N 3.13Å; Q819-Q822 VanDerWaalsContact O-N 3.09Å; Q819-I823 WeakPolarHBondContact O-CG1 3.43Å; Q819-I823 PolarHBondContact O-N 2.95Å; Q819-V837 HydrophobicContact CB-CG1 4.39Å
820	L	90.8	Very high	86.8	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-56.8	-43.8	176	-169	77.3	0	0	0	111	L816 M817 Q822 I823 V824 L834 V837 I841 L882	L816-L820 PolarHBondContact O-N 2.98Å; M817-L820 HydrophobicContact CE-CD2 4.49Å; M817-L820 PolarHBondContact O-N 3.22Å; M817-L820 HydrophobicContact SD-CB 4.17Å; M817-L820 HydrophobicContact SD-CD2 3.57Å; M817-L820 VanDerWaalsContact SD-CD2 3.57Å; M817-L820 HydrophobicContact SD-CG 4.5Å; L820-Q822 VanDerWaalsContact C-N 3.27Å; L820-Q822 PolarHBondContact O-N 3.19Å; L820-I823 PolarHBondContact O-N 2.98Å; L820-V824 HydrophobicContact CG-CG2 4.29Å; L820-V824 WeakPolarHBondContact O-CB 3.42Å; L820-V824 VanDerWaalsContact O-CG2 3.26Å; L820-V824 WeakPolarHBondContact O-CG2 3.42Å; L820-V824 PolarHBondContact O-N 2.96Å; L820-L834 HydrophobicContact CD1-CD1 3.67Å; L820-V837 HydrophobicContact CB-CG1 3.94Å; L820-V837 HydrophobicContact CD1-CB 4.43Å; L820-V837 HydrophobicContact CD1-CG1 4.01Å; L820-I841 HydrophobicContact CB-CD1 3.99Å; L820-I841 HydrophobicContact CD1-CD1 4.43Å; L820-I841 HydrophobicContact CD2-CD1 3.94Å; L820-I841 HydrophobicContact CG-CD1 4.35Å; L820-L882 HydrophobicContact CD2-CD1 4.29Å
821	S	88.5	Confident	86.3	Confident	3 Å²	3	44.3 Å²	44.3	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-59.1	-37.1	177.5	-172	0	0	0	0	113	M786 M817 A818 Q819 R825	M786-S821 PolarHBondContact N-OG 3.08Å; M817-S821 PolarHBondContact O-N 3.32Å; A818-S821 WeakPolarHBondContact O-CB 3.47Å; A818-S821 PolarHBondContact O-N 3.46Å; Q819-S821 VanDerWaalsContact C-N 3.27Å; Q819-S821 PolarHBondContact O-N 2.93Å; S821-R825 WeakPolarHBondContact O-CG 3.37Å; S821-R825 PolarHBondContact O-N 3Å
822	Q	87.4	Confident	86	Confident	42 Å²	42	49.7 Å²	49.7	20%	0.196	26%	0.256	C	S	.	.	H	α-helix	trans	-76.5	-38	-178.7	-65	172.7	-37.1	0	0	111.2	M786 A818 Q819 L820 R825 G826 E827 Y828	M786-Q822 HydrophobicContact CE-CG 3.9Å; A818-Q822 WeakPolarHBondContact O-CG 3.45Å; A818-Q822 PolarHBondContact O-N 3.28Å; Q819-Q822 PolarHBondContact O-N 3.13Å; Q819-Q822 VanDerWaalsContact O-N 3.09Å; L820-Q822 VanDerWaalsContact C-N 3.27Å; L820-Q822 PolarHBondContact O-N 3.19Å; Q822-R825 PolarHBondContact O-N 2.75Å; Q822-G826 PolarHBondContact O-N 3.36Å; Q822-E827 WeakPolarHBondContact CG-OE2 3.47Å; Q822-E827 PolarHBondContact O-N 3.14Å; Q822-Y828 HydrophobicContact CB-CD1 3.98Å; Q822-Y828 HydrophobicContact CB-CE1 3.18Å; Q822-Y828 HydrophobicContact CG-CE1 3.88Å; Q822-Y828 PolarHBondContact OE1-OH 2.83Å
823	I	86.6	Confident	85.7	Confident	9 Å²	9	46.5 Å²	46.5	5%	0.046	25%	0.248	C	C	.	.	H	α-helix	trans	-67.2	-44.2	176.5	-61.3	166.9	0	0	0	111.5	Q819 L820 R825 G826 Y828 D833 L834 V837	Q819-I823 WeakPolarHBondContact O-CG1 3.43Å; Q819-I823 PolarHBondContact O-N 2.95Å; L820-I823 PolarHBondContact O-N 2.98Å; I823-R825 PolarHBondContact O-N 3.36Å; I823-G826 PolarHBondContact O-N 3.11Å; I823-Y828 WeakPolarHBondContact CA-O 3.43Å; I823-Y828 HydrophobicContact CD1-CE2 4.49Å; I823-Y828 HydrophobicContact CG1-CD2 4.27Å; I823-Y828 HydrophobicContact CG1-CE2 3.89Å; I823-D833 HydrophobicContact CD1-CB 4.14Å; I823-L834 HydrophobicContact CB-CD1 4.41Å; I823-L834 HydrophobicContact CG2-CB 3.8Å; I823-L834 HydrophobicContact CG2-CD1 3.9Å; I823-L834 HydrophobicContact CG2-CG 4.46Å; I823-V837 HydrophobicContact CD1-CB 4.2Å; I823-V837 HydrophobicContact CD1-CG2 3.61Å
824	V	84.1	Confident	85.5	Confident	21 Å²	21	46.5 Å²	46.5	13%	0.127	25%	0.248	C	C	.	.	H	α-helix	trans	-61.4	-31.1	178.8	171.2	0	0	0	0	111.8	I785 L820 G826 L834 T920 L923	I785-V824 HydrophobicContact CD1-CB 4.49Å; I785-V824 HydrophobicContact CD1-CG1 4.38Å; I785-V824 HydrophobicContact CD1-CG2 4.36Å; L820-V824 HydrophobicContact CG-CG2 4.29Å; L820-V824 WeakPolarHBondContact O-CB 3.42Å; L820-V824 VanDerWaalsContact O-CG2 3.26Å; L820-V824 WeakPolarHBondContact O-CG2 3.42Å; L820-V824 PolarHBondContact O-N 2.96Å; V824-G826 VanDerWaalsContact C-N 3.31Å; V824-L834 HydrophobicContact CG2-CD1 3.62Å; V824-T920 HydrophobicContact CG1-CG2 4.13Å; V824-L923 HydrophobicContact CG1-CD2 4.38Å; V824-L923 HydrophobicContact CG2-CD2 3.57Å
825	R	80.1	Confident	85.3	Confident	106 Å²	106	48.9 Å²	48.9	40%	0.4	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-7.1	176.3	-73.9	175.9	57.3	-123.9	-12.6	114	Q783 S821 Q822 I823 E827	Q783-R825 VanDerWaalsContact NE2-NH1 3.14Å; S821-R825 WeakPolarHBondContact O-CG 3.37Å; S821-R825 PolarHBondContact O-N 3Å; Q822-R825 PolarHBondContact O-N 2.75Å; I823-R825 PolarHBondContact O-N 3.36Å; R825-E827 VanDerWaalsContact C-N 3.3Å; R825-E827 HydrophobicContact CB-CG 4.34Å; R825-E827 IonicContact CZ-OE1 3.79Å; R825-E827 IonicContact NH1-OE1 2.76Å; R825-E827 PolarHBondContact NH1-OE1 3.29Å; R825-E827 IonicContact NH1-OE2 2.67Å; R825-E827 PolarHBondContact NH1-OE2 3.1Å; R825-E827 IonicContact NH2-OE1 3.26Å; R825-E827 PolarHBondContact NH2-OE1 3.2Å; R825-E827 PolarHBondContact O-N 3.32Å
826	G	77.3	Confident	85.2	Confident	57 Å²	57	51.2 Å²	51.2	59%	0.588	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	16.9	-178.5	0	0	0	0	0	114.5	Q822 I823 V824 Y828	Q822-G826 PolarHBondContact O-N 3.36Å; I823-G826 PolarHBondContact O-N 3.11Å; V824-G826 VanDerWaalsContact C-N 3.31Å; G826-Y828 VanDerWaalsContact C-N 3.3Å; G826-Y828 PolarHBondContact O-N 2.95Å
827	E	73.8	Confident	85.2	Confident	101 Å²	101	50.9 Å²	50.9	47%	0.472	27%	0.268	S	S	.	.	S	Bend	trans	-66.8	-35.2	176.6	-68.3	-173.9	148.7	0	0	111.7	Q822 R825	Q822-E827 WeakPolarHBondContact CG-OE2 3.47Å; Q822-E827 PolarHBondContact O-N 3.14Å; R825-E827 VanDerWaalsContact C-N 3.3Å; R825-E827 HydrophobicContact CB-CG 4.34Å; R825-E827 IonicContact CZ-OE1 3.79Å; R825-E827 IonicContact NH1-OE1 2.76Å; R825-E827 PolarHBondContact NH1-OE1 3.29Å; R825-E827 IonicContact NH1-OE2 2.67Å; R825-E827 PolarHBondContact NH1-OE2 3.1Å; R825-E827 IonicContact NH2-OE1 3.26Å; R825-E827 PolarHBondContact NH2-OE1 3.2Å; R825-E827 PolarHBondContact O-N 3.32Å
828	Y	70.5	Confident	85.1	Confident	100 Å²	100	50.9 Å²	50.9	39%	0.392	27%	0.268	S	S	.	.	S	Bend	trans	-162.1	165.1	173.1	65.1	-94.7	0	0	0	110.5	Q822 I823 G826	Q822-Y828 HydrophobicContact CB-CD1 3.98Å; Q822-Y828 HydrophobicContact CB-CE1 3.18Å; Q822-Y828 HydrophobicContact CG-CE1 3.88Å; Q822-Y828 PolarHBondContact OE1-OH 2.83Å; I823-Y828 WeakPolarHBondContact CA-O 3.43Å; I823-Y828 HydrophobicContact CD1-CE2 4.49Å; I823-Y828 HydrophobicContact CG1-CD2 4.27Å; I823-Y828 HydrophobicContact CG1-CE2 3.89Å; G826-Y828 VanDerWaalsContact C-N 3.3Å; G826-Y828 PolarHBondContact O-N 2.95Å
829	G	71.3	Confident	85.2	Confident	46 Å²	46	55.5 Å²	55.5	47%	0.474	29%	0.29	S	S	.	.			trans	96.7	155.1	173.8	0	0	0	0	0	113.9	D833	G829-D833 WeakPolarHBondContact CA-OD2 3.48Å
830	T	81.6	Confident	85.4	Confident	81 Å²	81	53.8 Å²	53.8	50%	0.497	29%	0.288	S	S	.	.			trans	-99.1	169.1	179.9	63.4	0	0	0	0	111.1	K832 D833 L834	T830-K832 PolarHBondContact O-N 2.98Å; T830-K832 PolarHBondContact OG1-N 3.46Å; T830-D833 WeakPolarHBondContact CB-OD2 3.37Å; T830-D833 PolarHBondContact N-OD2 2.94Å; T830-D833 PolarHBondContact O-N 3.38Å; T830-D833 VanDerWaalsContact OG1-CG 3.28Å; T830-D833 PolarHBondContact OG1-N 2.94Å; T830-D833 PolarHBondContact OG1-OD2 2.93Å; T830-L834 PolarHBondContact O-N 3.45Å; T830-L834 VanDerWaalsContact O-N 3.12Å
831	K	83.3	Confident	85.6	Confident	87 Å²	87	53.8 Å²	53.8	38%	0.378	29%	0.288	S	S	.	.	H	α-helix	trans	-46.3	-38.1	166.3	-70.2	-176.3	172.4	-160.2	0	112.4	I835 A890 T891 L893	K831-I835 WeakPolarHBondContact O-CG1 3.24Å; K831-I835 PolarHBondContact O-N 2.95Å; K831-A890 HydrophobicContact CB-CB 4.41Å; K831-A890 WeakPolarHBondContact CD-O 3.48Å; K831-A890 WeakPolarHBondContact CE-O 3.3Å; K831-A890 WeakPolarHBondContact CG-O 3.48Å; K831-A890 PolarHBondContact NZ-O 2.96Å; K831-T891 PolarHBondContact NZ-O 2.88Å; K831-T891 VanDerWaalsContact NZ-O 3.08Å; K831-L893 WeakPolarHBondContact CE-O 3.39Å; K831-L893 HydrophobicContact CG-CB 4Å
832	K	86.7	Confident	85.8	Confident	144 Å²	144	54 Å²	54	63%	0.626	29%	0.29	S	S	*	.	H	α-helix	trans	-69.4	-37.6	179.7	-169.9	175.3	-180	172.3	0	111.7	T830 I835 N836	T830-K832 PolarHBondContact O-N 2.98Å; T830-K832 PolarHBondContact OG1-N 3.46Å; K832-I835 PolarHBondContact O-N 3.5Å; K832-N836 WeakPolarHBondContact O-CB 3.46Å; K832-N836 PolarHBondContact O-N 2.91Å; K832-N836 PolarHBondContact O-ND2 2.89Å; K832-N836 PolarHBondContact O-OD1 3.09Å
833	D	89	Confident	86.1	Confident	62 Å²	62	58.3 Å²	58.3	33%	0.332	31%	0.31	S	S	.	.	H	α-helix	trans	-68.5	-37.5	178.3	-57.4	-43.4	0	0	0	111.4	I823 G829 T830 I835 N836 V837	I823-D833 HydrophobicContact CD1-CB 4.14Å; G829-D833 WeakPolarHBondContact CA-OD2 3.48Å; T830-D833 WeakPolarHBondContact CB-OD2 3.37Å; T830-D833 PolarHBondContact N-OD2 2.94Å; T830-D833 PolarHBondContact O-N 3.38Å; T830-D833 VanDerWaalsContact OG1-CG 3.28Å; T830-D833 PolarHBondContact OG1-N 2.94Å; T830-D833 PolarHBondContact OG1-OD2 2.93Å; D833-I835 VanDerWaalsContact C-N 3.35Å; D833-I835 PolarHBondContact O-N 3.4Å; D833-N836 PolarHBondContact O-N 3.5Å; D833-V837 WeakPolarHBondContact O-CB 3.48Å; D833-V837 WeakPolarHBondContact O-CG2 3.42Å; D833-V837 PolarHBondContact O-N 3.21Å
834	L	88.6	Confident	86.5	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-58.5	-46	173.1	-174.8	70.8	0	0	0	111.8	L820 I823 V824 T830 S838 K889 A890 L893	L820-L834 HydrophobicContact CD1-CD1 3.67Å; I823-L834 HydrophobicContact CB-CD1 4.41Å; I823-L834 HydrophobicContact CG2-CB 3.8Å; I823-L834 HydrophobicContact CG2-CD1 3.9Å; I823-L834 HydrophobicContact CG2-CG 4.46Å; V824-L834 HydrophobicContact CG2-CD1 3.62Å; T830-L834 PolarHBondContact O-N 3.45Å; T830-L834 VanDerWaalsContact O-N 3.12Å; L834-S838 WeakPolarHBondContact O-CB 3.32Å; L834-S838 PolarHBondContact O-N 3.13Å; L834-S838 VanDerWaalsContact O-N 3.07Å; L834-S838 PolarHBondContact O-OG 3.38Å; L834-K889 HydrophobicContact CD2-CB 4.1Å; L834-K889 HydrophobicContact CD2-CG 3.89Å; L834-A890 HydrophobicContact CD2-CB 4.21Å; L834-L893 HydrophobicContact CD2-CD1 3.55Å
835	I	88.5	Confident	87	Confident	50 Å²	50	57 Å²	57	26%	0.256	30%	0.302	S	S	.	.	H	α-helix	trans	-66.4	-43	177.9	-63.5	170.2	0	0	0	110.5	K831 K832 D833 S838 M839 A890	K831-I835 WeakPolarHBondContact O-CG1 3.24Å; K831-I835 PolarHBondContact O-N 2.95Å; K832-I835 PolarHBondContact O-N 3.5Å; D833-I835 VanDerWaalsContact C-N 3.35Å; D833-I835 PolarHBondContact O-N 3.4Å; I835-S838 WeakPolarHBondContact CA-OG 3.46Å; I835-S838 PolarHBondContact O-N 3.28Å; I835-S838 PolarHBondContact O-OG 3.24Å; I835-M839 HydrophobicContact CG2-CG 4.39Å; I835-M839 HydrophobicContact CG2-SD 4.07Å; I835-M839 WeakPolarHBondContact O-CB 3.41Å; I835-M839 VanDerWaalsContact O-CG 3.26Å; I835-M839 WeakPolarHBondContact O-CG 3.36Å; I835-M839 PolarHBondContact O-N 3.49Å; I835-A890 HydrophobicContact CD1-CB 3.72Å; I835-A890 HydrophobicContact CG1-CB 3.69Å
836	N	92.6	Very high	87.7	Confident	76 Å²	76	56.4 Å²	56.4	41%	0.406	31%	0.307	S	S	.	.	H	α-helix	trans	-65	-45	-179.4	-68.3	-20.2	0	0	0	112	K832 D833 M839 A840	K832-N836 WeakPolarHBondContact O-CB 3.46Å; K832-N836 PolarHBondContact O-N 2.91Å; K832-N836 PolarHBondContact O-ND2 2.89Å; K832-N836 PolarHBondContact O-OD1 3.09Å; D833-N836 PolarHBondContact O-N 3.5Å; N836-M839 PolarHBondContact O-N 3.17Å; N836-A840 WeakPolarHBondContact O-CB 3.35Å; N836-A840 PolarHBondContact O-N 3.45Å
837	V	93.3	Very high	88.5	Confident	16 Å²	16	56.3 Å²	56.3	10%	0.097	29%	0.293	C	S	.	.	H	α-helix	trans	-65.6	-43.4	179	171.4	0	0	0	0	110.7	L816 Q819 L820 I823 D833 M839 A840 I841	L816-V837 WeakPolarHBondContact O-CG1 3.33Å; Q819-V837 HydrophobicContact CB-CG1 4.39Å; L820-V837 HydrophobicContact CB-CG1 3.94Å; L820-V837 HydrophobicContact CD1-CB 4.43Å; L820-V837 HydrophobicContact CD1-CG1 4.01Å; I823-V837 HydrophobicContact CD1-CB 4.2Å; I823-V837 HydrophobicContact CD1-CG2 3.61Å; D833-V837 WeakPolarHBondContact O-CB 3.48Å; D833-V837 WeakPolarHBondContact O-CG2 3.42Å; D833-V837 PolarHBondContact O-N 3.21Å; V837-M839 VanDerWaalsContact C-N 3.34Å; V837-M839 PolarHBondContact O-N 2.94Å; V837-A840 PolarHBondContact O-N 3.49Å; V837-I841 HydrophobicContact CG1-CD1 4.02Å; V837-I841 HydrophobicContact CG1-CG1 4.47Å; V837-I841 WeakPolarHBondContact O-CG1 3.35Å; V837-I841 PolarHBondContact O-N 3.3Å
838	S	92.6	Very high	89.5	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-64.4	-36.6	175.7	53.4	0	0	0	0	113	L834 I835 I841 A842 S886	L834-S838 WeakPolarHBondContact O-CB 3.32Å; L834-S838 PolarHBondContact O-N 3.13Å; L834-S838 VanDerWaalsContact O-N 3.07Å; L834-S838 PolarHBondContact O-OG 3.38Å; I835-S838 WeakPolarHBondContact CA-OG 3.46Å; I835-S838 PolarHBondContact O-N 3.28Å; I835-S838 PolarHBondContact O-OG 3.24Å; S838-I841 PolarHBondContact O-N 2.95Å; S838-A842 WeakPolarHBondContact O-CB 3.19Å; S838-A842 PolarHBondContact O-N 2.96Å; S838-S886 WeakPolarHBondContact CB-OG 3.46Å; S838-S886 WeakPolarHBondContact OG-CB 3.42Å; S838-S886 PolarHBondContact OG-OG 3.47Å
839	M	91.9	Very high	90.6	Very high	98 Å²	98	47.1 Å²	47.1	48%	0.483	25%	0.254	S	S	.	.	H	α-helix	trans	-63.5	-42	170.8	-75.4	-176	69.6	0	0	112.2	I835 N836 V837 A842 E843	I835-M839 HydrophobicContact CG2-CG 4.39Å; I835-M839 HydrophobicContact CG2-SD 4.07Å; I835-M839 WeakPolarHBondContact O-CB 3.41Å; I835-M839 VanDerWaalsContact O-CG 3.26Å; I835-M839 WeakPolarHBondContact O-CG 3.36Å; I835-M839 PolarHBondContact O-N 3.49Å; N836-M839 PolarHBondContact O-N 3.17Å; V837-M839 VanDerWaalsContact C-N 3.34Å; V837-M839 PolarHBondContact O-N 2.94Å; M839-A842 PolarHBondContact O-N 3.08Å; M839-E843 PolarHBondContact O-N 3.22Å
840	A	95.2	Very high	91.7	Very high	30 Å²	30	50.4 Å²	50.4	25%	0.248	26%	0.257	C	S	.	.	H	α-helix	trans	-66.4	-37	176.8	0	0	0	0	0	112.5	L816 N836 V837 A842 E843 A844	L816-A840 HydrophobicContact CD1-CB 3.84Å; L816-A840 HydrophobicContact CD2-CB 4.08Å; N836-A840 WeakPolarHBondContact O-CB 3.35Å; N836-A840 PolarHBondContact O-N 3.45Å; V837-A840 PolarHBondContact O-N 3.49Å; A840-A842 VanDerWaalsContact C-N 3.34Å; A840-E843 PolarHBondContact O-N 3.1Å; A840-A844 WeakPolarHBondContact O-CB 3.42Å; A840-A844 PolarHBondContact O-N 3.45Å
841	I	94.5	Very high	92.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-63.3	-44	173	-67.9	167.2	0	0	0	110	M813 L816 M817 L820 V837 S838 A844 S845 L882 L930	M813-I841 HydrophobicContact CE-CG2 4.37Å; L816-I841 HydrophobicContact CB-CD1 4.23Å; L816-I841 HydrophobicContact CB-CG1 3.54Å; L816-I841 HydrophobicContact CD1-CG1 4.29Å; M817-I841 HydrophobicContact SD-CD1 4Å; L820-I841 HydrophobicContact CB-CD1 3.99Å; L820-I841 HydrophobicContact CD1-CD1 4.43Å; L820-I841 HydrophobicContact CD2-CD1 3.94Å; L820-I841 HydrophobicContact CG-CD1 4.35Å; V837-I841 HydrophobicContact CG1-CD1 4.02Å; V837-I841 HydrophobicContact CG1-CG1 4.47Å; V837-I841 WeakPolarHBondContact O-CG1 3.35Å; V837-I841 PolarHBondContact O-N 3.3Å; S838-I841 PolarHBondContact O-N 2.95Å; I841-A844 PolarHBondContact O-N 2.85Å; I841-S845 WeakPolarHBondContact O-CB 3.32Å; I841-S845 PolarHBondContact O-N 3.43Å; I841-L882 HydrophobicContact CB-CD2 3.97Å; I841-L882 HydrophobicContact CD1-CD2 4.15Å; I841-L882 HydrophobicContact CG2-CD2 3.51Å; I841-L930 HydrophobicContact CG2-CD2 3.55Å
842	A	92.3	Very high	92.8	Very high	8 Å²	8	43 Å²	43	7%	0.066	22%	0.219	C	C	.	.	H	α-helix	trans	-65.6	-39.5	178.1	0	0	0	0	0	112.4	S838 M839 A840 S845 L846 K883	S838-A842 WeakPolarHBondContact O-CB 3.19Å; S838-A842 PolarHBondContact O-N 2.96Å; M839-A842 PolarHBondContact O-N 3.08Å; A840-A842 VanDerWaalsContact C-N 3.34Å; A842-S845 WeakPolarHBondContact CA-OG 3.47Å; A842-S845 WeakPolarHBondContact O-CB 3.41Å; A842-S845 PolarHBondContact O-N 2.85Å; A842-S845 PolarHBondContact O-OG 2.97Å; A842-L846 PolarHBondContact O-N 3.19Å; A842-K883 HydrophobicContact CB-CD 3.41Å; A842-K883 VanDerWaalsContact CB-CD 3.41Å; A842-K883 HydrophobicContact CB-CG 3.58Å
843	E	94.6	Very high	93	Very high	133 Å²	133	39.4 Å²	39.4	62%	0.621	20%	0.203	S	C	*	.	H	α-helix	trans	-61.2	-46.5	172.1	-172.4	174.5	-169.6	0	0	111.6	M839 A840 S845 L846 D847	M839-E843 PolarHBondContact O-N 3.22Å; A840-E843 PolarHBondContact O-N 3.1Å; E843-S845 VanDerWaalsContact C-N 3.25Å; E843-S845 PolarHBondContact O-N 3.37Å; E843-L846 WeakPolarHBondContact O-CA 3.28Å; E843-L846 WeakPolarHBondContact O-CB 3.38Å; E843-L846 PolarHBondContact O-N 3.19Å; E843-D847 PolarHBondContact O-N 3.4Å; E843-D847 VanDerWaalsContact O-N 3.12Å
844	A	94.9	Very high	93.2	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.008	20%	0.199	C	C	.	.	H	α-helix	trans	-63.9	-30.7	174.6	0	0	0	0	0	112.7	M813 A840 I841 L846 D847 V848	M813-A844 HydrophobicContact CG-CB 3.5Å; M813-A844 VanDerWaalsContact CG-CB 3.5Å; M813-A844 HydrophobicContact SD-CB 4.45Å; A840-A844 WeakPolarHBondContact O-CB 3.42Å; A840-A844 PolarHBondContact O-N 3.45Å; I841-A844 PolarHBondContact O-N 2.85Å; A844-L846 VanDerWaalsContact C-N 3.31Å; A844-D847 WeakPolarHBondContact O-CB 3.4Å; A844-D847 PolarHBondContact O-N 3.28Å; A844-V848 WeakPolarHBondContact O-CG2 3.32Å; A844-V848 PolarHBondContact O-N 3.46Å; A844-V848 VanDerWaalsContact O-N 3.07Å
845	S	94	Very high	93.3	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.007	20%	0.199	C	C	.	.	H	α-helix	trans	-67.7	-31.5	173.8	85.4	0	0	0	0	112.3	I841 A842 E843 N849	I841-S845 WeakPolarHBondContact O-CB 3.32Å; I841-S845 PolarHBondContact O-N 3.43Å; A842-S845 WeakPolarHBondContact CA-OG 3.47Å; A842-S845 WeakPolarHBondContact O-CB 3.41Å; A842-S845 PolarHBondContact O-N 2.85Å; A842-S845 PolarHBondContact O-OG 2.97Å; E843-S845 VanDerWaalsContact C-N 3.25Å; E843-S845 PolarHBondContact O-N 3.37Å; S845-N849 WeakPolarHBondContact O-CB 3.21Å; S845-N849 PolarHBondContact O-N 2.88Å
846	L	94.5	Very high	93.5	Very high	93 Å²	93	35.9 Å²	35.9	49%	0.487	19%	0.187	S	C	.	.	H	α-helix	trans	-67	-42.3	170.8	-166.9	95	0	0	0	111.2	A842 E843 A844 V848 N849 Q850 L876	A842-L846 PolarHBondContact O-N 3.19Å; E843-L846 WeakPolarHBondContact O-CA 3.28Å; E843-L846 WeakPolarHBondContact O-CB 3.38Å; E843-L846 PolarHBondContact O-N 3.19Å; A844-L846 VanDerWaalsContact C-N 3.31Å; L846-V848 VanDerWaalsContact C-N 3.32Å; L846-V848 PolarHBondContact O-N 3.28Å; L846-N849 WeakPolarHBondContact O-CB 3.46Å; L846-N849 PolarHBondContact O-N 2.86Å; L846-Q850 WeakPolarHBondContact O-CB 3.4Å; L846-Q850 PolarHBondContact O-N 2.92Å; L846-L876 HydrophobicContact CD1-CD1 3.76Å
847	D	95	Very high	93.4	Very high	56 Å²	56	39.1 Å²	39.1	30%	0.299	20%	0.197	S	C	.	.	H	α-helix	trans	-59	-44.5	175.3	-67.4	-14.8	0	0	0	111	A809 R812 E843 A844 Q850 C851	A809-D847 HydrophobicContact CB-CB 3.93Å; R812-D847 IonicContact NH1-OD2 3.35Å; R812-D847 PolarHBondContact NH1-OD2 3.11Å; E843-D847 PolarHBondContact O-N 3.4Å; E843-D847 VanDerWaalsContact O-N 3.12Å; A844-D847 WeakPolarHBondContact O-CB 3.4Å; A844-D847 PolarHBondContact O-N 3.28Å; D847-Q850 PolarHBondContact O-N 3.3Å; D847-C851 PolarHBondContact O-N 3.28Å; D847-C851 PolarHBondContact O-SG 2.95Å
848	V	95	Very high	93.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-62.1	-45.4	174.9	172.1	0	0	0	0	111.3	L806 A809 T810 M813 A844 L846 Q850 C851 A852 I875 T937	L806-V848 HydrophobicContact CD1-CB 4.34Å; L806-V848 HydrophobicContact CD1-CG1 3.85Å; L806-V848 HydrophobicContact CD1-CG2 4.32Å; A809-V848 HydrophobicContact CB-CG2 3.84Å; T810-V848 HydrophobicContact CG2-CG2 3.73Å; M813-V848 HydrophobicContact SD-CB 4.49Å; M813-V848 HydrophobicContact SD-CG2 3.66Å; A844-V848 WeakPolarHBondContact O-CG2 3.32Å; A844-V848 PolarHBondContact O-N 3.46Å; A844-V848 VanDerWaalsContact O-N 3.07Å; L846-V848 VanDerWaalsContact C-N 3.32Å; L846-V848 PolarHBondContact O-N 3.28Å; V848-Q850 VanDerWaalsContact C-N 3.33Å; V848-Q850 PolarHBondContact O-N 3.48Å; V848-C851 PolarHBondContact O-N 3.37Å; V848-A852 VanDerWaalsContact O-CB 3.29Å; V848-A852 WeakPolarHBondContact O-CB 3.34Å; V848-A852 PolarHBondContact O-N 3.48Å; V848-I875 HydrophobicContact CG1-CD1 3.85Å; V848-T937 HydrophobicContact CG1-CG2 4.35Å
849	N	93.4	Very high	93.2	Very high	8 Å²	8	39.6 Å²	39.6	4%	0.043	20%	0.198	C	C	.	.	H	α-helix	trans	-57.5	-46.1	176	-178.7	-90.2	0	0	0	111.4	S845 L846 A852 K853 S872	S845-N849 WeakPolarHBondContact O-CB 3.21Å; S845-N849 PolarHBondContact O-N 2.88Å; L846-N849 WeakPolarHBondContact O-CB 3.46Å; L846-N849 PolarHBondContact O-N 2.86Å; N849-A852 PolarHBondContact O-N 2.67Å; N849-K853 WeakPolarHBondContact O-CB 3.48Å; N849-K853 WeakPolarHBondContact O-CG 3.46Å; N849-K853 PolarHBondContact O-N 2.94Å; N849-K853 WeakPolarHBondContact OD1-CD 3.34Å; N849-K853 WeakPolarHBondContact OD1-CE 3.24Å; N849-K853 PolarHBondContact OD1-NZ 3.45Å; N849-S872 PolarHBondContact ND2-O 3.13Å
850	Q	94.6	Very high	93.2	Very high	115 Å²	115	35.4 Å²	35.4	54%	0.537	18%	0.178	S	C	.	.	H	α-helix	trans	-64.9	-46.1	-178.8	-174	62.9	18.2	0	0	111.6	L846 D847 V848 A852 K853 V854	L846-Q850 WeakPolarHBondContact O-CB 3.4Å; L846-Q850 PolarHBondContact O-N 2.92Å; D847-Q850 PolarHBondContact O-N 3.3Å; V848-Q850 VanDerWaalsContact C-N 3.33Å; V848-Q850 PolarHBondContact O-N 3.48Å; Q850-A852 PolarHBondContact O-N 2.83Å; Q850-K853 PolarHBondContact O-N 3.38Å; Q850-V854 WeakPolarHBondContact O-CG2 3.41Å; Q850-V854 PolarHBondContact O-N 3.18Å
851	C	93.3	Very high	93	Very high	13 Å²	13	34.8 Å²	34.8	9%	0.088	17%	0.17	C	C	.	.	H	α-helix	trans	-59.7	-46.7	175.7	-68.2	0	0	0	0	111.5	L806 D847 V848 K853 V854 L855	L806-C851 HydrophobicContact CB-CB 3.98Å; L806-C851 HydrophobicContact CD1-CB 3.98Å; D847-C851 PolarHBondContact O-N 3.28Å; D847-C851 PolarHBondContact O-SG 2.95Å; V848-C851 PolarHBondContact O-N 3.37Å; C851-K853 PolarHBondContact O-N 3.08Å; C851-V854 PolarHBondContact O-N 3.02Å; C851-L855 WeakPolarHBondContact O-CB 3.29Å; C851-L855 PolarHBondContact O-N 2.7Å
852	A	93.4	Very high	92.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.3	-40.7	178.5	0	0	0	0	0	112	V848 N849 Q850 L855 A856 L868 T937	V848-A852 VanDerWaalsContact O-CB 3.29Å; V848-A852 WeakPolarHBondContact O-CB 3.34Å; V848-A852 PolarHBondContact O-N 3.48Å; N849-A852 PolarHBondContact O-N 2.67Å; Q850-A852 PolarHBondContact O-N 2.83Å; A852-L855 PolarHBondContact O-N 3.13Å; A852-A856 WeakPolarHBondContact O-CB 3.44Å; A852-A856 PolarHBondContact O-N 3.41Å; A852-L868 HydrophobicContact CB-CD1 3.98Å; A852-L868 HydrophobicContact CB-CG 4.25Å; A852-L868 WeakPolarHBondContact O-CD2 3.37Å; A852-T937 HydrophobicContact CB-CG2 4.03Å
853	K	92.8	Very high	92.5	Very high	67 Å²	67	44.1 Å²	44.1	29%	0.291	20%	0.204	S	C	.	.	H	α-helix	trans	-66	-40.8	177.1	-81.1	-178.8	175.8	160.6	0	113.1	N849 Q850 C851 A856 K857 L869 D873	N849-K853 WeakPolarHBondContact O-CB 3.48Å; N849-K853 WeakPolarHBondContact O-CG 3.46Å; N849-K853 PolarHBondContact O-N 2.94Å; N849-K853 WeakPolarHBondContact OD1-CD 3.34Å; N849-K853 WeakPolarHBondContact OD1-CE 3.24Å; N849-K853 PolarHBondContact OD1-NZ 3.45Å; Q850-K853 PolarHBondContact O-N 3.38Å; C851-K853 PolarHBondContact O-N 3.08Å; K853-A856 PolarHBondContact O-N 3.04Å; K853-K857 WeakPolarHBondContact O-CB 3.28Å; K853-K857 PolarHBondContact O-N 3.45Å; K853-L869 HydrophobicContact CG-CD2 3.99Å; K853-D873 WeakPolarHBondContact CE-OD1 3.45Å; K853-D873 IonicContact NZ-OD1 3.1Å; K853-D873 PolarHBondContact NZ-OD1 3.29Å
854	V	91.7	Very high	92.2	Very high	39 Å²	39	40 Å²	40	24%	0.236	19%	0.186	C	C	.	.	H	α-helix	trans	-61.9	-48.1	175	172.2	0	0	0	0	110	Q850 C851 A856 K857 E858 Y954	Q850-V854 WeakPolarHBondContact O-CG2 3.41Å; Q850-V854 PolarHBondContact O-N 3.18Å; C851-V854 PolarHBondContact O-N 3.02Å; V854-A856 PolarHBondContact O-N 3.49Å; V854-K857 WeakPolarHBondContact O-CB 3.48Å; V854-K857 PolarHBondContact O-N 2.95Å; V854-E858 PolarHBondContact O-N 3.25Å; V854-Y954 HydrophobicContact CG1-CD1 4.25Å; V854-Y954 HydrophobicContact CG1-CE1 4.25Å
855	L	92	Very high	92	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.5	-43.4	177.6	179.3	58.6	0	0	0	112.4	C851 A852 K857 E858 C859 L868 A941 A944 M948 F956	C851-L855 WeakPolarHBondContact O-CB 3.29Å; C851-L855 PolarHBondContact O-N 2.7Å; A852-L855 PolarHBondContact O-N 3.13Å; L855-K857 VanDerWaalsContact C-N 3.29Å; L855-K857 PolarHBondContact O-N 3.19Å; L855-E858 PolarHBondContact O-N 3.48Å; L855-E858 VanDerWaalsContact O-N 3.15Å; L855-C859 PolarHBondContact O-N 3.23Å; L855-L868 HydrophobicContact CB-CD2 4.19Å; L855-L868 HydrophobicContact CD2-CD2 4.04Å; L855-L868 HydrophobicContact CG-CD2 3.98Å; L855-A941 HydrophobicContact CD2-CB 3.51Å; L855-A941 WeakPolarHBondContact CD2-O 3.45Å; L855-A944 HydrophobicContact CD1-CB 4.4Å; L855-A944 HydrophobicContact CD2-CB 4.11Å; L855-A944 HydrophobicContact CG-CB 4.01Å; L855-M948 HydrophobicContact CD1-CE 4.31Å; L855-M948 HydrophobicContact CD1-CG 3.83Å; L855-M948 HydrophobicContact CD1-SD 3.51Å; L855-M948 VanDerWaalsContact CD1-SD 3.51Å; L855-F956 HydrophobicContact CB-CD2 4.45Å; L855-F956 HydrophobicContact CB-CE2 3.89Å; L855-F956 HydrophobicContact CB-CZ 4.21Å; L855-F956 HydrophobicContact CD1-CD2 3.84Å; L855-F956 HydrophobicContact CD1-CE2 4.1Å; L855-F956 HydrophobicContact CG-CE2 4.44Å
856	A	92	Very high	91.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.2	-40	176.8	0	0	0	0	0	111.7	A852 K853 V854 E858 C859 R865 L868 L869	A852-A856 WeakPolarHBondContact O-CB 3.44Å; A852-A856 PolarHBondContact O-N 3.41Å; K853-A856 PolarHBondContact O-N 3.04Å; V854-A856 PolarHBondContact O-N 3.49Å; A856-E858 VanDerWaalsContact C-N 3.26Å; A856-E858 PolarHBondContact O-N 2.91Å; A856-C859 PolarHBondContact O-N 3.14Å; A856-R865 HydrophobicContact CB-CG 4.15Å; A856-R865 WeakPolarHBondContact O-CD 3.37Å; A856-R865 VanDerWaalsContact O-CG 3.22Å; A856-R865 WeakPolarHBondContact O-CG 3.4Å; A856-L868 HydrophobicContact CB-CB 4.3Å; A856-L868 HydrophobicContact CB-CD2 3.9Å; A856-L868 HydrophobicContact CB-CG 4.14Å; A856-L869 HydrophobicContact CB-CD2 3.71Å; A856-L869 HydrophobicContact CB-CG 3.82Å
857	K	91.3	Very high	91	Very high	144 Å²	144	43.7 Å²	43.7	63%	0.626	21%	0.208	S	C	*	.	H	α-helix	trans	-61.8	-35.7	176.9	-174.6	-178.7	176.4	-173.8	0	112.2	K853 V854 L855 R949	K853-K857 WeakPolarHBondContact O-CB 3.28Å; K853-K857 PolarHBondContact O-N 3.45Å; V854-K857 WeakPolarHBondContact O-CB 3.48Å; V854-K857 PolarHBondContact O-N 2.95Å; L855-K857 VanDerWaalsContact C-N 3.29Å; L855-K857 PolarHBondContact O-N 3.19Å; K857-R949 PolarHBondContact O-NH1 3.17Å; K857-R949 PolarHBondContact O-NH2 2.92Å
858	E	90.4	Very high	90.7	Very high	26 Å²	26	41 Å²	41	12%	0.121	19%	0.194	C	C	.	.	H	α-helix	trans	-87.9	-11.7	-179.9	-61.5	-49	137.1	0	0	114.2	V854 L855 A856 M948 R949 S952	V854-E858 PolarHBondContact O-N 3.25Å; L855-E858 PolarHBondContact O-N 3.48Å; L855-E858 VanDerWaalsContact O-N 3.15Å; A856-E858 VanDerWaalsContact C-N 3.26Å; A856-E858 PolarHBondContact O-N 2.91Å; E858-M948 HydrophobicContact CB-CE 3.93Å; E858-M948 HydrophobicContact CG-CE 4.47Å; E858-M948 CarbonylContact O-C 2.92Å; E858-M948 WeakPolarHBondContact O-CA 3.49Å; E858-R949 PolarHBondContact O-N 2.83Å; E858-R949 IonicContact OE2-NH1 3.54Å; E858-S952 WeakPolarHBondContact OE2-CB 3.24Å
859	C	91.3	Very high	90.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-69.9	128.1	175	-173.7	0	0	0	0	111.2	L855 A856 D861 R865 A944 K947	L855-C859 PolarHBondContact O-N 3.23Å; A856-C859 PolarHBondContact O-N 3.14Å; C859-D861 PolarHBondContact SG-N 3.39Å; C859-R865 HydrophobicContact CB-CB 4.27Å; C859-A944 HydrophobicContact CB-CB 4.4Å; C859-K947 WeakPolarHBondContact CA-O 3.44Å
860	T	91.4	Very high	89.9	Confident	10 Å²	10	47.1 Å²	47.1	6%	0.061	22%	0.224	C	C	.	.			trans	-84	-16.2	176.7	60.8	0	0	0	0	113	S584 E585 D586 K947 R949	S584-T860 CarbonylContact C-O 3.59Å; E585-T860 PolarHBondContact N-O 2.87Å; D586-T860 HydrophobicContact CB-CG2 4.24Å; T860-K947 PolarHBondContact N-O 3.44Å; T860-K947 PolarHBondContact OG1-O 3.09Å; T860-R949 HydrophobicContact CG2-CB 4.37Å; T860-R949 HydrophobicContact CG2-CG 3.45Å; T860-R949 VanDerWaalsContact CG2-CG 3.45Å
861	D	91.1	Very high	89.3	Confident	16 Å²	16	41.7 Å²	41.7	9%	0.086	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-87	115.9	177.9	-168.7	-58.2	0	0	0	110.4	N583 C859 R863 I864 R865 K947	N583-D861 PolarHBondContact ND2-OD1 3.4Å; N583-D861 PolarHBondContact ND2-OD2 2.99Å; C859-D861 PolarHBondContact SG-N 3.39Å; D861-R863 PolarHBondContact O-N 3.04Å; D861-R863 WeakPolarHBondContact OD1-CB 3.42Å; D861-R863 PolarHBondContact OD1-N 3.44Å; D861-I864 HydrophobicContact CB-CB 4.13Å; D861-I864 HydrophobicContact CB-CD1 3.96Å; D861-I864 HydrophobicContact CB-CG1 4.08Å; D861-I864 PolarHBondContact OD1-N 2.65Å; D861-I864 VanDerWaalsContact OD1-N 3.15Å; D861-R865 WeakPolarHBondContact O-CB 3.47Å; D861-R865 PolarHBondContact O-N 2.99Å; D861-K947 HydrophobicContact CB-CB 4.22Å; D861-K947 HydrophobicContact CB-CG 4.27Å
862	R	89.5	Confident	89.1	Confident	114 Å²	114	41 Å²	41	43%	0.43	19%	0.194	S	C	.	.	H	α-helix	trans	-63.2	-40.3	-176	-65.3	177.4	-176.5	-91	-8.2	112.2	D582 N583 E585 S866	D582-R862 WeakPolarHBondContact O-CD 3.44Å; D582-R862 PolarHBondContact O-NE 3.47Å; N583-R862 WeakPolarHBondContact O-CB 3.32Å; N583-R862 VanDerWaalsContact O-CG 3.25Å; N583-R862 WeakPolarHBondContact O-CG 3.47Å; N583-R862 PolarHBondContact O-N 3.31Å; E585-R862 HydrophobicContact CG-CG 4.37Å; E585-R862 IonicContact OE1-CZ 2.65Å; E585-R862 IonicContact OE1-NH1 3.99Å; E585-R862 IonicContact OE1-NH2 2.81Å; R862-S866 WeakPolarHBondContact O-CB 3.4Å; R862-S866 PolarHBondContact O-N 3.09Å; R862-S866 PolarHBondContact O-OG 2.78Å; R862-S866 VanDerWaalsContact O-OG 3.07Å
863	R	86.5	Confident	88.7	Confident	91 Å²	91	44.6 Å²	44.6	34%	0.343	21%	0.213	S	C	.	.	H	α-helix	trans	-65.2	-51.3	179.6	-78.8	177.4	-62	175.6	-3.6	111.4	E580 N583 D861 R865 S866 N867	E580-R863 IonicContact OE1-CZ 2.95Å; E580-R863 IonicContact OE1-NH1 3.99Å; E580-R863 IonicContact OE1-NH2 2.7Å; E580-R863 PolarHBondContact OE1-NH2 3.45Å; E580-R863 IonicContact OE2-CZ 3.26Å; E580-R863 IonicContact OE2-NH2 3.67Å; E580-R863 PolarHBondContact OE2-NH2 3.33Å; N583-R863 PolarHBondContact ND2-NE 3.01Å; N583-R863 VanDerWaalsContact ND2-NE 3.13Å; N583-R863 PolarHBondContact ND2-NH2 2.92Å; N583-R863 VanDerWaalsContact OD1-CG 3.27Å; N583-R863 WeakPolarHBondContact OD1-CG 3.39Å; N583-R863 PolarHBondContact OD1-N 2.94Å; N583-R863 PolarHBondContact OD1-NE 3.26Å; D861-R863 PolarHBondContact O-N 3.04Å; D861-R863 WeakPolarHBondContact OD1-CB 3.42Å; D861-R863 PolarHBondContact OD1-N 3.44Å; R863-R865 VanDerWaalsContact C-N 3.3Å; R863-R865 PolarHBondContact O-N 3.38Å; R863-S866 PolarHBondContact O-N 3.16Å; R863-N867 PolarHBondContact O-N 3.09Å
864	I	87.3	Confident	88.1	Confident	47 Å²	47	43.1 Å²	43.1	24%	0.241	21%	0.206	C	C	.	.	H	α-helix	trans	-62	-42.8	-179.6	-59.4	176.6	0	0	0	110.1	D861 N867 L868 V940 A944 K947	D861-I864 HydrophobicContact CB-CB 4.13Å; D861-I864 HydrophobicContact CB-CD1 3.96Å; D861-I864 HydrophobicContact CB-CG1 4.08Å; D861-I864 PolarHBondContact OD1-N 2.65Å; D861-I864 VanDerWaalsContact OD1-N 3.15Å; I864-N867 PolarHBondContact O-N 3.39Å; I864-L868 WeakPolarHBondContact O-CB 3.46Å; I864-L868 PolarHBondContact O-N 3.44Å; I864-V940 HydrophobicContact CG2-CG1 4.07Å; I864-A944 HydrophobicContact CG2-CB 3.68Å; I864-K947 HydrophobicContact CD1-CG 4.29Å
865	R	90.8	Very high	87.8	Confident	44 Å²	44	41.3 Å²	41.3	17%	0.166	19%	0.194	C	C	.	.	H	α-helix	trans	-58.4	-50.6	175.5	175.4	173.7	66.4	-164.6	3.7	112.4	E585 A856 C859 D861 R863 N867 L868 L869	E585-R865 IonicContact OE1-CZ 3.44Å; E585-R865 VanDerWaalsContact OE1-CZ 3.26Å; E585-R865 IonicContact OE1-NH1 2.68Å; E585-R865 PolarHBondContact OE1-NH1 2.95Å; E585-R865 IonicContact OE1-NH2 2.93Å; E585-R865 PolarHBondContact OE1-NH2 3.02Å; E585-R865 IonicContact OE2-CZ 2.75Å; E585-R865 IonicContact OE2-NH1 3.34Å; E585-R865 PolarHBondContact OE2-NH1 3.32Å; E585-R865 IonicContact OE2-NH2 3.46Å; A856-R865 HydrophobicContact CB-CG 4.15Å; A856-R865 WeakPolarHBondContact O-CD 3.37Å; A856-R865 VanDerWaalsContact O-CG 3.22Å; A856-R865 WeakPolarHBondContact O-CG 3.4Å; C859-R865 HydrophobicContact CB-CB 4.27Å; D861-R865 WeakPolarHBondContact O-CB 3.47Å; D861-R865 PolarHBondContact O-N 2.99Å; R863-R865 VanDerWaalsContact C-N 3.3Å; R863-R865 PolarHBondContact O-N 3.38Å; R865-N867 VanDerWaalsContact C-N 3.3Å; R865-N867 PolarHBondContact O-N 3.19Å; R865-L868 PolarHBondContact O-N 2.84Å; R865-L869 HydrophobicContact CG-CD1 4.02Å; R865-L869 HydrophobicContact CG-CG 4.47Å; R865-L869 WeakPolarHBondContact O-CG 3.32Å; R865-L869 PolarHBondContact O-N 3.25Å
866	S	86.1	Confident	87.6	Confident	73 Å²	73	43.4 Å²	43.4	51%	0.51	21%	0.206	S	C	.	.	H	α-helix	trans	-61.1	-40.7	180	-67.9	0	0	0	0	111.7	R862 R863 L869 H870	R862-S866 WeakPolarHBondContact O-CB 3.4Å; R862-S866 PolarHBondContact O-N 3.09Å; R862-S866 PolarHBondContact O-OG 2.78Å; R862-S866 VanDerWaalsContact O-OG 3.07Å; R863-S866 PolarHBondContact O-N 3.16Å; S866-L869 PolarHBondContact O-N 2.89Å; S866-H870 WeakPolarHBondContact O-CB 3.27Å; S866-H870 PolarHBondContact O-N 3.41Å
867	N	82.4	Confident	87.2	Confident	54 Å²	54	47 Å²	47	29%	0.289	23%	0.227	S	C	.	.	H	α-helix	trans	-63.2	-47.3	175.7	-167.1	9.1	0	0	0	111.5	R863 I864 R865 L869 H870 L871 V940	R863-N867 PolarHBondContact O-N 3.09Å; I864-N867 PolarHBondContact O-N 3.39Å; R865-N867 VanDerWaalsContact C-N 3.3Å; R865-N867 PolarHBondContact O-N 3.19Å; N867-L869 VanDerWaalsContact C-N 3.33Å; N867-L869 PolarHBondContact O-N 3.23Å; N867-H870 PolarHBondContact O-N 3.25Å; N867-L871 WeakPolarHBondContact O-CG 3.33Å; N867-L871 PolarHBondContact O-N 2.95Å; N867-V940 HydrophobicContact CB-CG1 4.39Å
868	L	89.1	Confident	86.9	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60.8	-40.9	178.9	-172.9	55.5	0	0	0	112.3	A852 L855 A856 I864 R865 S872 T937 V940 A941 A944	A852-L868 HydrophobicContact CB-CD1 3.98Å; A852-L868 HydrophobicContact CB-CG 4.25Å; A852-L868 WeakPolarHBondContact O-CD2 3.37Å; L855-L868 HydrophobicContact CB-CD2 4.19Å; L855-L868 HydrophobicContact CD2-CD2 4.04Å; L855-L868 HydrophobicContact CG-CD2 3.98Å; A856-L868 HydrophobicContact CB-CB 4.3Å; A856-L868 HydrophobicContact CB-CD2 3.9Å; A856-L868 HydrophobicContact CB-CG 4.14Å; I864-L868 WeakPolarHBondContact O-CB 3.46Å; I864-L868 PolarHBondContact O-N 3.44Å; R865-L868 PolarHBondContact O-N 2.84Å; L868-S872 VanDerWaalsContact O-CB 3.31Å; L868-S872 WeakPolarHBondContact O-CB 3.45Å; L868-S872 PolarHBondContact O-N 3.46Å; L868-S872 PolarHBondContact O-OG 3.45Å; L868-T937 HydrophobicContact CD1-CG2 3.87Å; L868-V940 HydrophobicContact CB-CG1 3.83Å; L868-V940 HydrophobicContact CD1-CB 4.36Å; L868-V940 HydrophobicContact CD1-CG1 4.15Å; L868-A941 HydrophobicContact CD1-CB 4.33Å; L868-A944 HydrophobicContact CD2-CB 3.98Å
869	L	88.3	Confident	86.8	Confident	61 Å²	61	39.4 Å²	39.4	32%	0.319	20%	0.195	S	C	.	.	H	α-helix	trans	-63.8	-48.3	175.9	-72.1	173	0	0	0	111.5	K853 A856 R865 S866 N867 L871 S872 D873	K853-L869 HydrophobicContact CG-CD2 3.99Å; A856-L869 HydrophobicContact CB-CD2 3.71Å; A856-L869 HydrophobicContact CB-CG 3.82Å; R865-L869 HydrophobicContact CG-CD1 4.02Å; R865-L869 HydrophobicContact CG-CG 4.47Å; R865-L869 WeakPolarHBondContact O-CG 3.32Å; R865-L869 PolarHBondContact O-N 3.25Å; S866-L869 PolarHBondContact O-N 2.89Å; N867-L869 VanDerWaalsContact C-N 3.33Å; N867-L869 PolarHBondContact O-N 3.23Å; L869-L871 PolarHBondContact O-N 2.94Å; L869-S872 PolarHBondContact O-N 3.41Å; L869-S872 VanDerWaalsContact O-N 3.15Å; L869-S872 PolarHBondContact O-OG 2.79Å; L869-D873 PolarHBondContact O-N 3.12Å
870	H	82.1	Confident	86.5	Confident	75 Å²	75	43.2 Å²	43.2	35%	0.347	22%	0.215	S	C	.	.	H	α-helix	trans	-56.8	-48.3	177.7	176.1	-95.9	0	0	0	111.8	S866 N867 S872 D873 R874	S866-H870 WeakPolarHBondContact O-CB 3.27Å; S866-H870 PolarHBondContact O-N 3.41Å; N867-H870 PolarHBondContact O-N 3.25Å; H870-S872 VanDerWaalsContact C-N 3.33Å; H870-S872 PolarHBondContact O-N 2.9Å; H870-D873 PolarHBondContact O-N 3.47Å; H870-R874 WeakPolarHBondContact O-CB 3.43Å; H870-R874 PolarHBondContact O-N 2.98Å
871	L	83.1	Confident	86.3	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-62.3	-40.5	176.6	-69	172.4	0	0	0	112.1	N867 L869 R874 I875 E936 T937 V940	N867-L871 WeakPolarHBondContact O-CG 3.33Å; N867-L871 PolarHBondContact O-N 2.95Å; L869-L871 PolarHBondContact O-N 2.94Å; L871-R874 WeakPolarHBondContact O-CB 3.33Å; L871-R874 PolarHBondContact O-N 3.48Å; L871-I875 WeakPolarHBondContact O-CG1 3.44Å; L871-I875 PolarHBondContact O-N 2.99Å; L871-E936 HydrophobicContact CD1-CB 4.42Å; L871-E936 HydrophobicContact CD1-CG 3.82Å; L871-E936 HydrophobicContact CD2-CB 4.49Å; L871-E936 VanDerWaalsContact CD2-CD 3.48Å; L871-E936 HydrophobicContact CD2-CG 4.1Å; L871-E936 VanDerWaalsContact CD2-OE2 3.26Å; L871-E936 WeakPolarHBondContact CD2-OE2 3.45Å; L871-T937 WeakPolarHBondContact CB-OG1 3.09Å; L871-V940 HydrophobicContact CD1-CB 4.16Å; L871-V940 HydrophobicContact CD1-CG2 3.65Å
872	S	88.5	Confident	86.1	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-62.8	-47.3	178.6	77.9	0	0	0	0	112	N849 L868 L869 H870 R874 I875 L876	N849-S872 PolarHBondContact ND2-O 3.13Å; L868-S872 VanDerWaalsContact O-CB 3.31Å; L868-S872 WeakPolarHBondContact O-CB 3.45Å; L868-S872 PolarHBondContact O-N 3.46Å; L868-S872 PolarHBondContact O-OG 3.45Å; L869-S872 PolarHBondContact O-N 3.41Å; L869-S872 VanDerWaalsContact O-N 3.15Å; L869-S872 PolarHBondContact O-OG 2.79Å; H870-S872 VanDerWaalsContact C-N 3.33Å; H870-S872 PolarHBondContact O-N 2.9Å; S872-R874 VanDerWaalsContact C-N 3.28Å; S872-R874 PolarHBondContact O-N 2.85Å; S872-I875 WeakPolarHBondContact O-CB 3.43Å; S872-I875 PolarHBondContact O-N 3.37Å; S872-L876 PolarHBondContact O-N 2.95Å
873	D	84.6	Confident	86	Confident	75 Å²	75	42.6 Å²	42.6	40%	0.401	22%	0.215	S	C	.	.	H	α-helix	trans	-68.3	-32.3	-179.7	-72.5	-26.4	0	0	0	111.2	K853 L869 H870 L876 T877	K853-D873 WeakPolarHBondContact CE-OD1 3.45Å; K853-D873 IonicContact NZ-OD1 3.1Å; K853-D873 PolarHBondContact NZ-OD1 3.29Å; L869-D873 PolarHBondContact O-N 3.12Å; H870-D873 PolarHBondContact O-N 3.47Å; D873-L876 WeakPolarHBondContact O-CB 3.36Å; D873-L876 PolarHBondContact O-N 2.96Å; D873-T877 PolarHBondContact O-N 2.91Å; D873-T877 VanDerWaalsContact O-N 3.07Å; D873-T877 PolarHBondContact O-OG1 3.44Å
874	R	79.9	Confident	86.1	Confident	36 Å²	36	43.6 Å²	43.6	14%	0.136	23%	0.226	C	C	.	.	H	α-helix	trans	-62.5	-45.8	171.9	-170.9	178.1	66.8	157	-13.6	112.3	H870 L871 S872 L876 T877 I878 S933 E936	H870-R874 WeakPolarHBondContact O-CB 3.43Å; H870-R874 PolarHBondContact O-N 2.98Å; L871-R874 WeakPolarHBondContact O-CB 3.33Å; L871-R874 PolarHBondContact O-N 3.48Å; S872-R874 VanDerWaalsContact C-N 3.28Å; S872-R874 PolarHBondContact O-N 2.85Å; R874-L876 PolarHBondContact O-N 3.27Å; R874-T877 PolarHBondContact O-N 3.49Å; R874-T877 VanDerWaalsContact O-N 3.16Å; R874-I878 HydrophobicContact CG-CD1 3.78Å; R874-I878 HydrophobicContact CG-CG1 4.29Å; R874-I878 WeakPolarHBondContact O-CG1 3.44Å; R874-I878 PolarHBondContact O-N 2.96Å; R874-S933 PolarHBondContact NE-OG 3.35Å; R874-S933 PolarHBondContact NH2-OG 3.48Å; R874-E936 IonicContact NH2-OE2 3.54Å; R874-E936 PolarHBondContact NH2-OE2 3.48Å
875	I	87.1	Confident	85.9	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-54.3	-42.7	175.6	-75.2	169.8	0	0	0	110.7	V848 L871 S872 I878 G879 L930 V934 T937	V848-I875 HydrophobicContact CG1-CD1 3.85Å; L871-I875 WeakPolarHBondContact O-CG1 3.44Å; L871-I875 PolarHBondContact O-N 2.99Å; S872-I875 WeakPolarHBondContact O-CB 3.43Å; S872-I875 PolarHBondContact O-N 3.37Å; I875-I878 PolarHBondContact O-N 3.05Å; I875-G879 PolarHBondContact O-N 3.07Å; I875-L930 HydrophobicContact CG2-CD1 4.07Å; I875-V934 HydrophobicContact CD1-CB 4.45Å; I875-V934 HydrophobicContact CD1-CG2 3.82Å; I875-V934 HydrophobicContact CG1-CG2 4.14Å; I875-V934 HydrophobicContact CG2-CG2 4.45Å; I875-T937 HydrophobicContact CD1-CG2 4.13Å; I875-T937 WeakPolarHBondContact CD1-OG1 3.39Å
876	L	87.4	Confident	85.7	Confident	45 Å²	45	40.9 Å²	40.9	24%	0.236	22%	0.215	C	C	.	.	H	α-helix	trans	-65.6	-42.6	179.9	-173.2	62.8	0	0	0	112.3	L846 S872 D873 R874 G879 N880	L846-L876 HydrophobicContact CD1-CD1 3.76Å; S872-L876 PolarHBondContact O-N 2.95Å; D873-L876 WeakPolarHBondContact O-CB 3.36Å; D873-L876 PolarHBondContact O-N 2.96Å; R874-L876 PolarHBondContact O-N 3.27Å; L876-G879 PolarHBondContact O-N 3.39Å; L876-N880 PolarHBondContact O-N 2.93Å; L876-N880 PolarHBondContact O-ND2 3.16Å
877	T	84.2	Confident	85.7	Confident	74 Å²	74	40.6 Å²	40.6	45%	0.454	21%	0.21	S	C	.	.	H	α-helix	trans	-62.1	-48.5	175.9	-60.6	0	0	0	0	111.4	D873 R874 G879 N880 Q881	D873-T877 PolarHBondContact O-N 2.91Å; D873-T877 VanDerWaalsContact O-N 3.07Å; D873-T877 PolarHBondContact O-OG1 3.44Å; R874-T877 PolarHBondContact O-N 3.49Å; R874-T877 VanDerWaalsContact O-N 3.16Å; T877-G879 PolarHBondContact O-N 3.16Å; T877-N880 PolarHBondContact O-N 2.92Å; T877-Q881 WeakPolarHBondContact O-CG 3.37Å; T877-Q881 PolarHBondContact O-N 3.02Å
878	I	83.4	Confident	85.8	Confident	12 Å²	12	40.5 Å²	40.5	6%	0.062	21%	0.211	C	C	.	.	H	α-helix	trans	-64.4	-42.2	179.6	-60.7	168.6	0	0	0	110.3	R874 I875 N880 Q881 L882 N926 N929 L930 S933	R874-I878 HydrophobicContact CG-CD1 3.78Å; R874-I878 HydrophobicContact CG-CG1 4.29Å; R874-I878 WeakPolarHBondContact O-CG1 3.44Å; R874-I878 PolarHBondContact O-N 2.96Å; I875-I878 PolarHBondContact O-N 3.05Å; I878-N880 VanDerWaalsContact C-N 3.3Å; I878-N880 PolarHBondContact O-N 3.32Å; I878-Q881 WeakPolarHBondContact O-CB 3.44Å; I878-Q881 PolarHBondContact O-N 3.45Å; I878-Q881 VanDerWaalsContact O-N 3.17Å; I878-L882 PolarHBondContact O-N 3.31Å; I878-N926 WeakPolarHBondContact CG2-O 3.37Å; I878-N926 PolarHBondContact O-OD1 2.94Å; I878-N929 HydrophobicContact CD1-CB 4Å; I878-N929 HydrophobicContact CG2-CB 4.48Å; I878-L930 HydrophobicContact CB-CD1 4.18Å; I878-L930 HydrophobicContact CG2-CB 3.67Å; I878-L930 HydrophobicContact CG2-CD1 4.08Å; I878-L930 HydrophobicContact CG2-CG 4.38Å; I878-S933 WeakPolarHBondContact CD1-OG 3.35Å
879	G	88.2	Confident	85.5	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.8	-38.1	175.6	0	0	0	0	0	113.1	I875 L876 T877 L882 K883	I875-G879 PolarHBondContact O-N 3.07Å; L876-G879 PolarHBondContact O-N 3.39Å; T877-G879 PolarHBondContact O-N 3.16Å; G879-L882 WeakPolarHBondContact O-CB 3.4Å; G879-L882 PolarHBondContact O-N 3.45Å; G879-K883 PolarHBondContact O-N 3.49Å
880	N	86.5	Confident	85.2	Confident	79 Å²	79	38.2 Å²	38.2	42%	0.422	20%	0.199	S	C	.	.	H	α-helix	trans	-68.4	-41.7	173.6	-76.4	-29.1	0	0	0	112.5	L876 T877 I878 L882 K883 I884	L876-N880 PolarHBondContact O-N 2.93Å; L876-N880 PolarHBondContact O-ND2 3.16Å; T877-N880 PolarHBondContact O-N 2.92Å; I878-N880 VanDerWaalsContact C-N 3.3Å; I878-N880 PolarHBondContact O-N 3.32Å; N880-L882 VanDerWaalsContact C-N 3.31Å; N880-L882 PolarHBondContact O-N 3.32Å; N880-K883 WeakPolarHBondContact O-CB 3.45Å; N880-K883 PolarHBondContact O-N 3.45Å; N880-I884 WeakPolarHBondContact O-CG1 3.49Å; N880-I884 PolarHBondContact O-N 3.2Å
881	Q	85.7	Confident	85.2	Confident	51 Å²	51	39 Å²	39	24%	0.238	21%	0.21	C	C	.	.	H	α-helix	trans	-60.7	-41.1	173.6	-71.5	173.2	-13.9	0	0	111.3	T877 I878 K883 I884 L885 N926	T877-Q881 WeakPolarHBondContact O-CG 3.37Å; T877-Q881 PolarHBondContact O-N 3.02Å; I878-Q881 WeakPolarHBondContact O-CB 3.44Å; I878-Q881 PolarHBondContact O-N 3.45Å; I878-Q881 VanDerWaalsContact O-N 3.17Å; Q881-K883 VanDerWaalsContact C-N 3.29Å; Q881-K883 PolarHBondContact O-N 3.29Å; Q881-I884 PolarHBondContact O-N 3.46Å; Q881-L885 WeakPolarHBondContact O-CG 3.45Å; Q881-L885 PolarHBondContact O-N 3.05Å; Q881-N926 VanDerWaalsContact CB-ND2 3.3Å; Q881-N926 WeakPolarHBondContact CB-ND2 3.29Å; Q881-N926 PolarHBondContact OE1-ND2 3.2Å
882	L	88.1	Confident	84.8	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-55.9	-44.7	176.5	-170	69.2	0	0	0	111	L820 I841 I878 G879 N880 I884 L885 S886 L923 N926 L930	L820-L882 HydrophobicContact CD2-CD1 4.29Å; I841-L882 HydrophobicContact CB-CD2 3.97Å; I841-L882 HydrophobicContact CD1-CD2 4.15Å; I841-L882 HydrophobicContact CG2-CD2 3.51Å; I878-L882 PolarHBondContact O-N 3.31Å; G879-L882 WeakPolarHBondContact O-CB 3.4Å; G879-L882 PolarHBondContact O-N 3.45Å; N880-L882 VanDerWaalsContact C-N 3.31Å; N880-L882 PolarHBondContact O-N 3.32Å; L882-I884 VanDerWaalsContact C-N 3.33Å; L882-I884 PolarHBondContact O-N 3.1Å; L882-L885 PolarHBondContact O-N 2.96Å; L882-S886 WeakPolarHBondContact O-CB 3.18Å; L882-S886 PolarHBondContact O-N 2.94Å; L882-S886 PolarHBondContact O-OG 3.36Å; L882-L923 HydrophobicContact CD1-CD1 3.71Å; L882-N926 WeakPolarHBondContact CA-OD1 3.26Å; L882-N926 VanDerWaalsContact CB-OD1 3.27Å; L882-N926 WeakPolarHBondContact CB-OD1 3.09Å; L882-N926 WeakPolarHBondContact CD1-OD1 3.27Å; L882-N926 PolarHBondContact N-OD1 3.42Å; L882-L930 HydrophobicContact CD2-CD2 3.99Å
883	K	87.4	Confident	83.8	Confident	77 Å²	77	43.2 Å²	43.2	34%	0.335	23%	0.231	S	C	.	.	H	α-helix	trans	-59.1	-43.5	176.2	-71.2	172.2	61.8	177	0	112.2	A842 G879 N880 Q881 T887	A842-K883 HydrophobicContact CB-CD 3.41Å; A842-K883 VanDerWaalsContact CB-CD 3.41Å; A842-K883 HydrophobicContact CB-CG 3.58Å; G879-K883 PolarHBondContact O-N 3.49Å; N880-K883 WeakPolarHBondContact O-CB 3.45Å; N880-K883 PolarHBondContact O-N 3.45Å; Q881-K883 VanDerWaalsContact C-N 3.29Å; Q881-K883 PolarHBondContact O-N 3.29Å; K883-T887 WeakPolarHBondContact O-CB 3.47Å; K883-T887 PolarHBondContact O-N 3.28Å; K883-T887 PolarHBondContact O-OG1 3.17Å
884	I	87.3	Confident	82.4	Confident	112 Å²	112	41.5 Å²	41.5	57%	0.574	23%	0.231	S	C	*	.	H	α-helix	trans	-65.5	-53.2	-179.6	-62.6	167.8	0	0	0	109.6	N880 Q881 L882 S886 T887 V888	N880-I884 WeakPolarHBondContact O-CG1 3.49Å; N880-I884 PolarHBondContact O-N 3.2Å; Q881-I884 PolarHBondContact O-N 3.46Å; L882-I884 VanDerWaalsContact C-N 3.33Å; L882-I884 PolarHBondContact O-N 3.1Å; I884-S886 VanDerWaalsContact C-N 3.32Å; I884-S886 PolarHBondContact O-N 3Å; I884-T887 WeakPolarHBondContact O-CB 3.24Å; I884-T887 PolarHBondContact O-N 2.79Å; I884-V888 WeakPolarHBondContact O-CG2 3.41Å; I884-V888 PolarHBondContact O-N 3.03Å
885	L	84.4	Confident	81.1	Confident	34 Å²	34	45.4 Å²	45.4	18%	0.178	26%	0.259	C	S	.	.	H	α-helix	trans	-58.9	-42.4	180	-69.5	170.3	0	0	0	112	Q881 L882 T887 V888 K889 L923 N926	Q881-L885 WeakPolarHBondContact O-CG 3.45Å; Q881-L885 PolarHBondContact O-N 3.05Å; L882-L885 PolarHBondContact O-N 2.96Å; L885-T887 VanDerWaalsContact C-N 3.3Å; L885-T887 PolarHBondContact O-N 2.83Å; L885-V888 PolarHBondContact O-N 2.78Å; L885-K889 WeakPolarHBondContact O-CB 3.29Å; L885-K889 PolarHBondContact O-N 3.35Å; L885-L923 HydrophobicContact CB-CD1 3.82Å; L885-N926 HydrophobicContact CD1-CB 3.55Å
886	S	85.3	Confident	79.1	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64.5	-36.4	177.1	-53.8	0	0	0	0	112	S838 L882 I884 A890	S838-S886 WeakPolarHBondContact CB-OG 3.46Å; S838-S886 WeakPolarHBondContact OG-CB 3.42Å; S838-S886 PolarHBondContact OG-OG 3.47Å; L882-S886 WeakPolarHBondContact O-CB 3.18Å; L882-S886 PolarHBondContact O-N 2.94Å; L882-S886 PolarHBondContact O-OG 3.36Å; I884-S886 VanDerWaalsContact C-N 3.32Å; I884-S886 PolarHBondContact O-N 3Å; S886-A890 VanDerWaalsContact O-CB 3.29Å; S886-A890 WeakPolarHBondContact O-CB 3.29Å; S886-A890 PolarHBondContact O-N 3.16Å
887	T	86.7	Confident	76.8	Confident	67 Å²	67	57.8 Å²	57.8	41%	0.411	32%	0.321	S	S	.	.	H	α-helix	trans	-67.3	-43.7	175.8	-56.2	0	0	0	0	110.8	K883 I884 L885 A890 T891	K883-T887 WeakPolarHBondContact O-CB 3.47Å; K883-T887 PolarHBondContact O-N 3.28Å; K883-T887 PolarHBondContact O-OG1 3.17Å; I884-T887 WeakPolarHBondContact O-CB 3.24Å; I884-T887 PolarHBondContact O-N 2.79Å; L885-T887 VanDerWaalsContact C-N 3.3Å; L885-T887 PolarHBondContact O-N 2.83Å; T887-A890 PolarHBondContact O-N 2.96Å; T887-T891 PolarHBondContact O-N 3.25Å
888	V	85.4	Confident	74.6	Confident	52 Å²	52	62 Å²	62	32%	0.315	34%	0.34	S	S	.	.	H	α-helix	trans	-61	-50.7	175.6	179.4	0	0	0	0	110.1	I884 L885 A890 T891 M892 N919	I884-V888 WeakPolarHBondContact O-CG2 3.41Å; I884-V888 PolarHBondContact O-N 3.03Å; L885-V888 PolarHBondContact O-N 2.78Å; V888-A890 VanDerWaalsContact C-N 3.29Å; V888-A890 PolarHBondContact O-N 2.86Å; V888-T891 WeakPolarHBondContact O-CB 3.49Å; V888-T891 PolarHBondContact O-N 3.21Å; V888-T891 PolarHBondContact O-OG1 3.13Å; V888-M892 PolarHBondContact O-N 3.31Å; V888-N919 WeakPolarHBondContact CG1-ND2 3.38Å
889	K	81.1	Confident	72.4	Confident	8 Å²	8	66.6 Å²	66.6	4%	0.035	37%	0.374	C	S	.	.	H	α-helix	trans	-58.1	-39.6	177	-177	63.4	179.8	178.6	0	112.6	L834 L885 T891 M892 L893 D916 T920 L923	L834-K889 HydrophobicContact CD2-CB 4.1Å; L834-K889 HydrophobicContact CD2-CG 3.89Å; L885-K889 WeakPolarHBondContact O-CB 3.29Å; L885-K889 PolarHBondContact O-N 3.35Å; K889-T891 VanDerWaalsContact C-N 3.27Å; K889-T891 PolarHBondContact O-N 3.33Å; K889-M892 PolarHBondContact O-N 3.05Å; K889-M892 VanDerWaalsContact O-N 3.08Å; K889-L893 HydrophobicContact CG-CD1 4.01Å; K889-L893 PolarHBondContact O-N 3.39Å; K889-L893 VanDerWaalsContact O-N 3.1Å; K889-D916 VanDerWaalsContact CD-OD1 3.31Å; K889-D916 WeakPolarHBondContact CD-OD1 3.35Å; K889-D916 WeakPolarHBondContact CE-OD1 3.31Å; K889-D916 IonicContact NZ-OD1 2.71Å; K889-D916 PolarHBondContact NZ-OD1 3.21Å; K889-D916 IonicContact NZ-OD2 2.68Å; K889-D916 PolarHBondContact NZ-OD2 3.46Å; K889-T920 WeakPolarHBondContact CE-OG1 3.49Å; K889-T920 PolarHBondContact NZ-OG1 3.41Å; K889-L923 HydrophobicContact CG-CD2 4.45Å
890	A	82.9	Confident	70.1	Confident	4 Å²	4	77.6 Å²	77.6	3%	0.033	42%	0.415	C	S	.	.	H	α-helix	trans	-61.8	-33.6	175.8	0	0	0	0	0	112.5	K831 L834 I835 S886 T887 V888 M892	K831-A890 HydrophobicContact CB-CB 4.41Å; K831-A890 WeakPolarHBondContact CD-O 3.48Å; K831-A890 WeakPolarHBondContact CE-O 3.3Å; K831-A890 WeakPolarHBondContact CG-O 3.48Å; K831-A890 PolarHBondContact NZ-O 2.96Å; L834-A890 HydrophobicContact CD2-CB 4.21Å; I835-A890 HydrophobicContact CD1-CB 3.72Å; I835-A890 HydrophobicContact CG1-CB 3.69Å; S886-A890 VanDerWaalsContact O-CB 3.29Å; S886-A890 WeakPolarHBondContact O-CB 3.29Å; S886-A890 PolarHBondContact O-N 3.16Å; T887-A890 PolarHBondContact O-N 2.96Å; V888-A890 VanDerWaalsContact C-N 3.29Å; V888-A890 PolarHBondContact O-N 2.86Å; A890-M892 VanDerWaalsContact C-N 3.25Å; A890-M892 PolarHBondContact O-N 3.07Å
891	T	82.4	Confident	67.8	Low	92 Å²	92	83 Å²	83	56%	0.564	44%	0.435	S	S	*	.	H	α-helix	trans	-64.9	-32.9	175.1	64.1	0	0	0	0	112.1	K831 T887 V888 K889	K831-T891 PolarHBondContact NZ-O 2.88Å; K831-T891 VanDerWaalsContact NZ-O 3.08Å; T887-T891 PolarHBondContact O-N 3.25Å; V888-T891 WeakPolarHBondContact O-CB 3.49Å; V888-T891 PolarHBondContact O-N 3.21Å; V888-T891 PolarHBondContact O-OG1 3.13Å; K889-T891 VanDerWaalsContact C-N 3.27Å; K889-T891 PolarHBondContact O-N 3.33Å
892	M	75	Confident	65.3	Low	29 Å²	29	84.3 Å²	84.3	14%	0.143	46%	0.462	C	S	.	.	H	α-helix	trans	-83.1	-24.5	-177	-57	-171.2	126.8	0	0	114.4	V888 K889 A890 G894 T895 E915 D916 N919	V888-M892 PolarHBondContact O-N 3.31Å; K889-M892 PolarHBondContact O-N 3.05Å; K889-M892 VanDerWaalsContact O-N 3.08Å; A890-M892 VanDerWaalsContact C-N 3.25Å; A890-M892 PolarHBondContact O-N 3.07Å; M892-G894 VanDerWaalsContact C-N 3.26Å; M892-G894 PolarHBondContact O-N 2.88Å; M892-T895 PolarHBondContact O-OG1 3.16Å; M892-E915 HydrophobicContact CE-CB 3.69Å; M892-E915 HydrophobicContact CE-CG 3.39Å; M892-E915 WeakPolarHBondContact CE-OE2 3.28Å; M892-D916 HydrophobicContact CB-CB 4.43Å; M892-D916 VanDerWaalsContact CB-OD1 3.26Å; M892-D916 WeakPolarHBondContact CB-OD1 3.38Å; M892-D916 HydrophobicContact SD-CB 4.08Å; M892-N919 HydrophobicContact SD-CB 4.33Å; M892-N919 PolarHBondContact SD-ND2 3.35Å
893	L	66.2	Low	62.6	Low	61 Å²	61	88.9 Å²	88.9	32%	0.319	50%	0.5	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	57.9	-177.7	-93.2	158.7	0	0	0	115.1	K831 L834 K889	K831-L893 WeakPolarHBondContact CE-O 3.39Å; K831-L893 HydrophobicContact CG-CB 4Å; L834-L893 HydrophobicContact CD2-CD1 3.55Å; K889-L893 HydrophobicContact CG-CD1 4.01Å; K889-L893 PolarHBondContact O-N 3.39Å; K889-L893 VanDerWaalsContact O-N 3.1Å
894	G	55.9	Low	60.1	Low	39 Å²	39	90.8 Å²	90.8	40%	0.402	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	166.7	11.4	175.6	0	0	0	0	0	117	M892 Q896	M892-G894 VanDerWaalsContact C-N 3.26Å; M892-G894 PolarHBondContact O-N 2.88Å; G894-Q896 VanDerWaalsContact C-N 3.26Å; G894-Q896 PolarHBondContact O-N 3.12Å
895	T	51.6	Low	57.7	Low	117 Å²	117	92.8 Å²	92.8	72%	0.718	53%	0.531	S	S	*	.	S	Bend	trans	-80	-4.1	174.6	40.7	0	0	0	0	113.6	M892	M892-T895 PolarHBondContact O-OG1 3.16Å
896	Q	44.9	Very low	55.3	Low	154 Å²	154	100 Å²	100	72%	0.72	56%	0.564	S	S	*	*	S	Bend	trans	-98.1	-19.4	-178.8	-77.4	-179.2	-10.8	0	0	115.3	G894	G894-Q896 VanDerWaalsContact C-N 3.26Å; G894-Q896 PolarHBondContact O-N 3.12Å
897	D	40.5	Very low	52.9	Low	152 Å²	152	104.6 Å²	104.6	81%	0.813	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	-4.9	-171.7	-92.9	-16.8	0	0	0	115.5	S899	D897-S899 PolarHBondContact O-N 3.32Å
898	D	37.7	Very low	50.6	Low	161 Å²	161	109.7 Å²	109.7	86%	0.861	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	15	-179.2	-87.9	-21.7	0	0	0	114.7	W900	D898-W900 PolarHBondContact O-N 3.28Å
899	S	36.9	Very low	48.5	Very low	109 Å²	109	114.8 Å²	114.8	76%	0.762	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	58.2	176.2	85.1	0	0	0	0	113.7	D897	D897-S899 PolarHBondContact O-N 3.32Å
900	W	40.8	Very low	46.6	Very low	232 Å²	232	120.7 Å²	120.7	88%	0.879	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	-15.8	164	-164.8	-67.4	0	0	0	112.4	D898	D898-W900 PolarHBondContact O-N 3.28Å
901	F	37.8	Very low	44.5	Very low	192 Å²	192	124.6 Å²	124.6	84%	0.842	70%	0.698	S	S	*	*	S	Bend	trans	-132.2	108.1	178.9	-85	-89	0	0	0	113.6
902	G	33.2	Very low	42.8	Very low	78 Å²	78	122 Å²	122	80%	0.804	69%	0.691	S	S	*	*			trans	93.8	106	139.8	0	0	0	0	0	119.3
903	A	31.9	Very low	42.2	Very low	96 Å²	96	123 Å²	123	79%	0.793	70%	0.7	S	S	*	*			trans	74.1	127.2	151.1	0	0	0	0	0	119.5	L905	A903-L905 PolarHBondContact O-N 2.86Å
904	P	35.1	Very low	42.3	Very low	117 Å²	117	123.6 Å²	123.6	76%	0.76	71%	0.706	S	S	*	*			trans	-82.4	115.7	170.4	32	-27.3	0	0	0	110
905	L	35.6	Very low	43.1	Very low	154 Å²	154	126.5 Å²	126.5	81%	0.806	71%	0.709	S	S	*	*			trans	-103.1	107.2	157.1	-123.2	133.3	0	0	0	107.3	A903 S907	A903-L905 PolarHBondContact O-N 2.86Å; L905-S907 VanDerWaalsContact C-N 3.29Å; L905-S907 PolarHBondContact O-N 3.08Å
906	Q	34.2	Very low	44.1	Very low	185 Å²	185	122.9 Å²	122.9	86%	0.864	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	45.6	-160.3	-159.4	123.8	23.3	0	0	114.1
907	S	36.2	Very low	45.4	Very low	98 Å²	98	120 Å²	120	69%	0.685	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-144.6	-1.2	178.3	72.6	0	0	0	0	118.1	L905	L905-S907 VanDerWaalsContact C-N 3.29Å; L905-S907 PolarHBondContact O-N 3.08Å
908	E	36.9	Very low	46.9	Very low	174 Å²	174	118.1 Å²	118.1	81%	0.813	66%	0.658	S	S	*	*	S	Bend	trans	-118.5	-5.8	176.9	-82.5	-179.4	158.8	0	0	114.3	D910	E908-D910 VanDerWaalsContact C-N 3.32Å; E908-D910 PolarHBondContact O-N 3.42Å
909	L	42.6	Very low	48.9	Very low	158 Å²	158	111.5 Å²	111.5	83%	0.827	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-13.1	-178.2	-122.6	81.1	0	0	0	114.6
910	D	40.8	Very low	50.9	Low	132 Å²	132	107.5 Å²	107.5	71%	0.706	59%	0.594	S	S	*	*	H	α-helix	trans	-87	-16.4	-175.1	-122.9	6.2	0	0	0	113.5	E908 S913 T914	E908-D910 VanDerWaalsContact C-N 3.32Å; E908-D910 PolarHBondContact O-N 3.42Å; D910-S913 PolarHBondContact O-OG 2.92Å; D910-T914 PolarHBondContact O-OG1 3.21Å; D910-T914 VanDerWaalsContact O-OG1 3.13Å
911	C	37.5	Very low	52.5	Low	86 Å²	86	100 Å²	100	58%	0.581	57%	0.569	S	S	*	*	H	α-helix	trans	-80.3	-31.8	-178.1	-169.7	0	0	0	0	112.6	T914	C911-T914 PolarHBondContact O-OG1 3.44Å
912	G	48.5	Very low	54.4	Low	39 Å²	39	93.2 Å²	93.2	40%	0.402	55%	0.545	S	S	.	.	H	α-helix	trans	-77.5	-28.4	-177.2	0	0	0	0	0	114.1	D916	G912-D916 VanDerWaalsContact O-CB 3.24Å; G912-D916 WeakPolarHBondContact O-CB 3.46Å; G912-D916 PolarHBondContact O-N 3.16Å
913	S	62.3	Low	56.9	Low	48 Å²	48	89.5 Å²	89.5	34%	0.336	51%	0.507	S	S	.	.	H	α-helix	trans	-78.9	-36.2	-179.9	57.5	0	0	0	0	112.6	D910 Q917	D910-S913 PolarHBondContact O-OG 2.92Å; S913-Q917 VanDerWaalsContact O-CB 3.26Å; S913-Q917 WeakPolarHBondContact O-CB 3.43Å; S913-Q917 PolarHBondContact O-N 3.15Å
914	T	67.7	Low	59.2	Low	75 Å²	75	86.1 Å²	86.1	46%	0.46	48%	0.477	S	S	.	.	H	α-helix	trans	-70.1	-47.2	-179.1	45.9	0	0	0	0	111.7	D910 C911 D916 Q917 E918	D910-T914 PolarHBondContact O-OG1 3.21Å; D910-T914 VanDerWaalsContact O-OG1 3.13Å; C911-T914 PolarHBondContact O-OG1 3.44Å; T914-D916 VanDerWaalsContact C-N 3.34Å; T914-D916 PolarHBondContact O-N 3.45Å; T914-Q917 WeakPolarHBondContact O-CB 3.34Å; T914-Q917 PolarHBondContact O-N 3.29Å; T914-E918 WeakPolarHBondContact O-CG 3.43Å; T914-E918 PolarHBondContact O-N 2.91Å
915	E	72.9	Confident	61	Low	99 Å²	99	81.4 Å²	81.4	46%	0.463	45%	0.449	S	S	.	.	H	α-helix	trans	-67.6	-34.2	177.7	-165.5	-171.3	178.3	0	0	112	M892 N919	M892-E915 HydrophobicContact CE-CB 3.69Å; M892-E915 HydrophobicContact CE-CG 3.39Å; M892-E915 WeakPolarHBondContact CE-OE2 3.28Å; E915-N919 WeakPolarHBondContact O-CB 3.41Å; E915-N919 PolarHBondContact O-N 3.18Å; E915-N919 PolarHBondContact O-ND2 3.27Å
916	D	72.7	Confident	63.3	Low	42 Å²	42	74.2 Å²	74.2	23%	0.225	41%	0.411	C	S	.	.	H	α-helix	trans	-68.5	-36.6	173.5	-169.7	52.8	0	0	0	112.2	K889 M892 G912 T914 T920	K889-D916 VanDerWaalsContact CD-OD1 3.31Å; K889-D916 WeakPolarHBondContact CD-OD1 3.35Å; K889-D916 WeakPolarHBondContact CE-OD1 3.31Å; K889-D916 IonicContact NZ-OD1 2.71Å; K889-D916 PolarHBondContact NZ-OD1 3.21Å; K889-D916 IonicContact NZ-OD2 2.68Å; K889-D916 PolarHBondContact NZ-OD2 3.46Å; M892-D916 HydrophobicContact CB-CB 4.43Å; M892-D916 VanDerWaalsContact CB-OD1 3.26Å; M892-D916 WeakPolarHBondContact CB-OD1 3.38Å; M892-D916 HydrophobicContact SD-CB 4.08Å; G912-D916 VanDerWaalsContact O-CB 3.24Å; G912-D916 WeakPolarHBondContact O-CB 3.46Å; G912-D916 PolarHBondContact O-N 3.16Å; T914-D916 VanDerWaalsContact C-N 3.34Å; T914-D916 PolarHBondContact O-N 3.45Å; D916-T920 WeakPolarHBondContact O-CB 3.08Å; D916-T920 PolarHBondContact O-N 2.97Å; D916-T920 PolarHBondContact O-OG1 3.26Å
917	Q	72.4	Confident	65.8	Low	94 Å²	94	65.4 Å²	65.4	44%	0.439	37%	0.37	S	S	.	.	H	α-helix	trans	-65.1	-49.8	173.8	-177.5	61.8	27.7	0	0	111.3	S913 T914 N919 T920 E921	S913-Q917 VanDerWaalsContact O-CB 3.26Å; S913-Q917 WeakPolarHBondContact O-CB 3.43Å; S913-Q917 PolarHBondContact O-N 3.15Å; T914-Q917 WeakPolarHBondContact O-CB 3.34Å; T914-Q917 PolarHBondContact O-N 3.29Å; Q917-N919 VanDerWaalsContact C-N 3.33Å; Q917-N919 PolarHBondContact O-N 2.99Å; Q917-T920 WeakPolarHBondContact O-CA 3.34Å; Q917-T920 WeakPolarHBondContact O-CB 3.42Å; Q917-T920 PolarHBondContact O-N 2.87Å; Q917-E921 WeakPolarHBondContact CG-OE1 3.37Å; Q917-E921 PolarHBondContact NE2-OE1 3.09Å; Q917-E921 WeakPolarHBondContact O-CG 3.45Å; Q917-E921 PolarHBondContact O-N 3.03Å
918	E	71.8	Confident	67.8	Low	111 Å²	111	61.4 Å²	61.4	52%	0.519	34%	0.34	S	S	.	.	H	α-helix	trans	-60.2	-40.1	177.6	-72.9	179.8	178.3	0	0	112.3	T914 T920 E921 S922	T914-E918 WeakPolarHBondContact O-CG 3.43Å; T914-E918 PolarHBondContact O-N 2.91Å; E918-T920 VanDerWaalsContact C-N 3.34Å; E918-E921 PolarHBondContact O-N 3.43Å; E918-S922 WeakPolarHBondContact O-CB 3.17Å; E918-S922 PolarHBondContact O-N 3.39Å; E918-S922 PolarHBondContact O-OG 2.9Å
919	N	79.5	Confident	69.7	Low	23 Å²	23	53.7 Å²	53.7	12%	0.123	31%	0.305	C	S	.	.	H	α-helix	trans	-66.4	-36	173.6	-91.2	-45	0	0	0	112.5	V888 M892 E915 Q917 S922 L923	V888-N919 WeakPolarHBondContact CG1-ND2 3.38Å; M892-N919 HydrophobicContact SD-CB 4.33Å; M892-N919 PolarHBondContact SD-ND2 3.35Å; E915-N919 WeakPolarHBondContact O-CB 3.41Å; E915-N919 PolarHBondContact O-N 3.18Å; E915-N919 PolarHBondContact O-ND2 3.27Å; Q917-N919 VanDerWaalsContact C-N 3.33Å; Q917-N919 PolarHBondContact O-N 2.99Å; N919-S922 PolarHBondContact O-N 3.21Å; N919-L923 VanDerWaalsContact O-CB 3.31Å; N919-L923 WeakPolarHBondContact O-CB 2.91Å; N919-L923 PolarHBondContact O-N 3.38Å
920	T	78.9	Confident	71.9	Confident	25 Å²	25	46.2 Å²	46.2	15%	0.153	27%	0.266	C	S	.	.	H	α-helix	trans	-65.6	-44.8	175.7	-52	0	0	0	0	110.6	V824 K889 D916 Q917 E918 L923 V924	V824-T920 HydrophobicContact CG1-CG2 4.13Å; K889-T920 WeakPolarHBondContact CE-OG1 3.49Å; K889-T920 PolarHBondContact NZ-OG1 3.41Å; D916-T920 WeakPolarHBondContact O-CB 3.08Å; D916-T920 PolarHBondContact O-N 2.97Å; D916-T920 PolarHBondContact O-OG1 3.26Å; Q917-T920 WeakPolarHBondContact O-CA 3.34Å; Q917-T920 WeakPolarHBondContact O-CB 3.42Å; Q917-T920 PolarHBondContact O-N 2.87Å; E918-T920 VanDerWaalsContact C-N 3.34Å; T920-L923 WeakPolarHBondContact O-CB 2.85Å; T920-L923 PolarHBondContact O-N 3.28Å; T920-V924 HydrophobicContact CG2-CG2 4.4Å; T920-V924 WeakPolarHBondContact O-CB 3.46Å; T920-V924 WeakPolarHBondContact O-CG2 3.41Å; T920-V924 PolarHBondContact O-N 2.92Å
921	E	73.6	Confident	74.2	Confident	74 Å²	74	40 Å²	40	35%	0.346	23%	0.233	S	C	.	.	H	α-helix	trans	-61.4	-44.4	176.5	-73	168.3	-169.6	0	0	111.4	Q917 E918 L923 V924 G925	Q917-E921 WeakPolarHBondContact CG-OE1 3.37Å; Q917-E921 PolarHBondContact NE2-OE1 3.09Å; Q917-E921 WeakPolarHBondContact O-CG 3.45Å; Q917-E921 PolarHBondContact O-N 3.03Å; E918-E921 PolarHBondContact O-N 3.43Å; E921-L923 VanDerWaalsContact C-N 3.33Å; E921-L923 PolarHBondContact O-N 3.38Å; E921-V924 PolarHBondContact O-N 3.3Å; E921-G925 PolarHBondContact O-N 3.4Å
922	S	78.3	Confident	76.2	Confident	50 Å²	50	38.5 Å²	38.5	35%	0.35	22%	0.217	S	C	.	.	H	α-helix	trans	-59.9	-42.8	174.6	-61.1	0	0	0	0	111.9	E918 N919 N926	E918-S922 WeakPolarHBondContact O-CB 3.17Å; E918-S922 PolarHBondContact O-N 3.39Å; E918-S922 PolarHBondContact O-OG 2.9Å; N919-S922 PolarHBondContact O-N 3.21Å; S922-N926 VanDerWaalsContact O-CB 3.29Å; S922-N926 WeakPolarHBondContact O-CB 3.25Å; S922-N926 PolarHBondContact O-N 3.09Å
923	L	84.8	Confident	77.8	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65	-42.8	176.7	-173.7	72.8	0	0	0	111.7	V824 L882 L885 K889 N919 T920 E921 N926 A927	V824-L923 HydrophobicContact CG1-CD2 4.38Å; V824-L923 HydrophobicContact CG2-CD2 3.57Å; L882-L923 HydrophobicContact CD1-CD1 3.71Å; L885-L923 HydrophobicContact CB-CD1 3.82Å; K889-L923 HydrophobicContact CG-CD2 4.45Å; N919-L923 VanDerWaalsContact O-CB 3.31Å; N919-L923 WeakPolarHBondContact O-CB 2.91Å; N919-L923 PolarHBondContact O-N 3.38Å; T920-L923 WeakPolarHBondContact O-CB 2.85Å; T920-L923 PolarHBondContact O-N 3.28Å; E921-L923 VanDerWaalsContact C-N 3.33Å; E921-L923 PolarHBondContact O-N 3.38Å; L923-N926 PolarHBondContact O-N 2.95Å; L923-A927 WeakPolarHBondContact O-CB 3.48Å; L923-A927 PolarHBondContact O-N 2.91Å
924	V	81.6	Confident	79.2	Confident	25 Å²	25	34.3 Å²	34.3	15%	0.152	18%	0.182	C	C	.	.	H	α-helix	trans	-61.6	-49.3	176.8	169.4	0	0	0	0	110.6	P784 I785 T920 E921 N926 A927 Q928	P784-V924 HydrophobicContact CB-CG1 3.58Å; P784-V924 HydrophobicContact CG-CB 4.47Å; P784-V924 HydrophobicContact CG-CG1 3.48Å; P784-V924 VanDerWaalsContact CG-CG1 3.48Å; P784-V924 HydrophobicContact CG-CG2 4.07Å; I785-V924 HydrophobicContact CD1-CG2 3.91Å; I785-V924 HydrophobicContact CG1-CB 4.39Å; I785-V924 HydrophobicContact CG1-CG1 4.49Å; I785-V924 HydrophobicContact CG1-CG2 3.9Å; T920-V924 HydrophobicContact CG2-CG2 4.4Å; T920-V924 WeakPolarHBondContact O-CB 3.46Å; T920-V924 WeakPolarHBondContact O-CG2 3.41Å; T920-V924 PolarHBondContact O-N 2.92Å; E921-V924 PolarHBondContact O-N 3.3Å; V924-N926 PolarHBondContact O-N 3.02Å; V924-A927 WeakPolarHBondContact O-CB 3.35Å; V924-A927 PolarHBondContact O-N 2.85Å; V924-Q928 VanDerWaalsContact O-CG 3.3Å; V924-Q928 WeakPolarHBondContact O-CG 3.44Å; V924-Q928 PolarHBondContact O-N 3.27Å
925	G	72.6	Confident	80	Confident	17 Å²	17	31.3 Å²	31.3	18%	0.175	16%	0.163	C	C	.	.	H	α-helix	trans	-60.3	-47	178.2	0	0	0	0	0	111.6	E921 A927 Q928 N929	E921-G925 PolarHBondContact O-N 3.4Å; G925-A927 VanDerWaalsContact C-N 3.32Å; G925-A927 PolarHBondContact O-N 3.14Å; G925-Q928 PolarHBondContact O-N 3.02Å; G925-N929 PolarHBondContact O-N 2.94Å; G925-N929 PolarHBondContact O-ND2 3.44Å
926	N	83.1	Confident	80.3	Confident	3 Å²	3	28.6 Å²	28.6	2%	0.016	15%	0.15	C	C	.	.	H	α-helix	trans	-59.3	-42.9	176.5	-169.6	-91.6	0	0	0	112.4	I878 Q881 L882 L885 S922 L923 V924 Q928 N929 L930	I878-N926 WeakPolarHBondContact CG2-O 3.37Å; I878-N926 PolarHBondContact O-OD1 2.94Å; Q881-N926 VanDerWaalsContact CB-ND2 3.3Å; Q881-N926 WeakPolarHBondContact CB-ND2 3.29Å; Q881-N926 PolarHBondContact OE1-ND2 3.2Å; L882-N926 WeakPolarHBondContact CA-OD1 3.26Å; L882-N926 VanDerWaalsContact CB-OD1 3.27Å; L882-N926 WeakPolarHBondContact CB-OD1 3.09Å; L882-N926 WeakPolarHBondContact CD1-OD1 3.27Å; L882-N926 PolarHBondContact N-OD1 3.42Å; L885-N926 HydrophobicContact CD1-CB 3.55Å; S922-N926 VanDerWaalsContact O-CB 3.29Å; S922-N926 WeakPolarHBondContact O-CB 3.25Å; S922-N926 PolarHBondContact O-N 3.09Å; L923-N926 PolarHBondContact O-N 2.95Å; V924-N926 PolarHBondContact O-N 3.02Å; N926-Q928 PolarHBondContact O-N 3.27Å; N926-N929 PolarHBondContact O-N 3.14Å; N926-L930 PolarHBondContact O-N 2.84Å
927	A	86.7	Confident	81.1	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.6	-44.5	177.5	0	0	0	0	0	112.8	I785 M817 L923 V924 G925 L930 M931	I785-A927 HydrophobicContact CD1-CB 4.49Å; I785-A927 HydrophobicContact CG1-CB 4.14Å; I785-A927 HydrophobicContact CG2-CB 4.28Å; M817-A927 HydrophobicContact CE-CB 3.18Å; M817-A927 VanDerWaalsContact CE-O 3.26Å; M817-A927 WeakPolarHBondContact CE-O 3.45Å; M817-A927 HydrophobicContact SD-CB 4.08Å; L923-A927 WeakPolarHBondContact O-CB 3.48Å; L923-A927 PolarHBondContact O-N 2.91Å; V924-A927 WeakPolarHBondContact O-CB 3.35Å; V924-A927 PolarHBondContact O-N 2.85Å; G925-A927 VanDerWaalsContact C-N 3.32Å; G925-A927 PolarHBondContact O-N 3.14Å; A927-L930 PolarHBondContact O-N 3Å; A927-M931 WeakPolarHBondContact O-CG 3.2Å; A927-M931 PolarHBondContact O-N 3.32Å; A927-M931 VanDerWaalsContact O-N 3.17Å
928	Q	79.5	Confident	81.9	Confident	14 Å²	14	22.2 Å²	22.2	7%	0.065	12%	0.119	C	C	.	.	H	α-helix	trans	-64.4	-45.4	178.6	-71.5	177.7	-30.5	0	0	112	N264 P784 A788 V924 G925 N926 L930 M931 Q932	N264-Q928 PolarHBondContact ND2-NE2 3.47Å; N264-Q928 PolarHBondContact OD1-NE2 3.07Å; N264-Q928 VanDerWaalsContact OD1-NE2 3.11Å; N264-Q928 PolarHBondContact OD1-OE1 2.76Å; P784-Q928 VanDerWaalsContact CB-NE2 3.27Å; P784-Q928 PolarHBondContact O-NE2 3.12Å; A788-Q928 HydrophobicContact CB-CG 4.05Å; V924-Q928 VanDerWaalsContact O-CG 3.3Å; V924-Q928 WeakPolarHBondContact O-CG 3.44Å; V924-Q928 PolarHBondContact O-N 3.27Å; G925-Q928 PolarHBondContact O-N 3.02Å; N926-Q928 PolarHBondContact O-N 3.27Å; Q928-L930 VanDerWaalsContact C-N 3.29Å; Q928-L930 PolarHBondContact O-N 3.43Å; Q928-M931 PolarHBondContact O-N 2.84Å; Q928-Q932 WeakPolarHBondContact O-CB 3.44Å; Q928-Q932 PolarHBondContact O-N 3.16Å
929	N	76.9	Confident	82.5	Confident	13 Å²	13	20 Å²	20	7%	0.07	11%	0.108	C	C	.	.	H	α-helix	trans	-61.5	-40.1	177.4	-65	-31.5	0	0	0	112.5	S128 I878 G925 N926 S933	S128-N929 VanDerWaalsContact CB-ND2 3.32Å; S128-N929 WeakPolarHBondContact CB-ND2 3.44Å; S128-N929 PolarHBondContact O-ND2 3.12Å; S128-N929 PolarHBondContact O-OD1 2.89Å; S128-N929 VanDerWaalsContact O-OD1 3.07Å; I878-N929 HydrophobicContact CD1-CB 4Å; I878-N929 HydrophobicContact CG2-CB 4.48Å; G925-N929 PolarHBondContact O-N 2.94Å; G925-N929 PolarHBondContact O-ND2 3.44Å; N926-N929 PolarHBondContact O-N 3.14Å; N929-S933 VanDerWaalsContact O-CB 3.23Å; N929-S933 WeakPolarHBondContact O-CB 3.44Å; N929-S933 PolarHBondContact O-N 3.25Å; N929-S933 PolarHBondContact O-OG 2.95Å
930	L	88.2	Confident	82.7	Confident	0 Å²	0	20 Å²	20	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.9	-52.4	178.3	-175	57.8	0	0	0	110.2	M813 I841 I875 I878 L882 N926 A927 Q928 Q932 S933 V934	M813-L930 HydrophobicContact CE-CD1 4.08Å; M813-L930 HydrophobicContact CE-CD2 3.91Å; M813-L930 HydrophobicContact CE-CG 3.88Å; I841-L930 HydrophobicContact CG2-CD2 3.55Å; I875-L930 HydrophobicContact CG2-CD1 4.07Å; I878-L930 HydrophobicContact CB-CD1 4.18Å; I878-L930 HydrophobicContact CG2-CB 3.67Å; I878-L930 HydrophobicContact CG2-CD1 4.08Å; I878-L930 HydrophobicContact CG2-CG 4.38Å; L882-L930 HydrophobicContact CD2-CD2 3.99Å; N926-L930 PolarHBondContact O-N 2.84Å; A927-L930 PolarHBondContact O-N 3Å; Q928-L930 VanDerWaalsContact C-N 3.29Å; Q928-L930 PolarHBondContact O-N 3.43Å; L930-Q932 VanDerWaalsContact C-N 3.35Å; L930-Q932 PolarHBondContact O-N 3.43Å; L930-S933 PolarHBondContact O-N 2.9Å; L930-V934 HydrophobicContact CD1-CG2 4.47Å; L930-V934 WeakPolarHBondContact O-CG2 3.16Å; L930-V934 PolarHBondContact O-N 3.13Å
931	M	88.9	Confident	83.3	Confident	2 Å²	2	18.9 Å²	18.9	1%	0.01	10%	0.102	C	C	.	.	H	α-helix	trans	-62.5	-42.1	-178.2	-65.3	-61.5	117.9	0	0	111.8	A788 L792 M813 M817 A927 Q928 V934 I935	A788-M931 HydrophobicContact CB-CB 4.02Å; A788-M931 HydrophobicContact CB-CG 3.95Å; L792-M931 HydrophobicContact CB-SD 4.11Å; L792-M931 HydrophobicContact CD2-CE 4.39Å; L792-M931 HydrophobicContact CD2-SD 3.36Å; L792-M931 WeakPolarHBondContact CD2-SD 3.29Å; L792-M931 HydrophobicContact CG-SD 4.36Å; M813-M931 HydrophobicContact CB-CE 4.32Å; M813-M931 HydrophobicContact CE-CE 4.02Å; M817-M931 HydrophobicContact CB-CE 3.88Å; M817-M931 HydrophobicContact CB-SD 3.92Å; M817-M931 HydrophobicContact CE-CE 3.59Å; M817-M931 HydrophobicContact CE-CG 3.94Å; M817-M931 HydrophobicContact CE-SD 4.42Å; M817-M931 HydrophobicContact CG-CE 3.88Å; M817-M931 HydrophobicContact CG-CG 3.94Å; M817-M931 HydrophobicContact CG-SD 3.9Å; M817-M931 HydrophobicContact SD-CE 4.29Å; A927-M931 WeakPolarHBondContact O-CG 3.2Å; A927-M931 PolarHBondContact O-N 3.32Å; A927-M931 VanDerWaalsContact O-N 3.17Å; Q928-M931 PolarHBondContact O-N 2.84Å; M931-V934 PolarHBondContact O-N 3.24Å; M931-I935 WeakPolarHBondContact O-CG1 3.24Å; M931-I935 PolarHBondContact O-N 2.91Å
932	Q	79.2	Confident	83.9	Confident	54 Å²	54	17.5 Å²	17.5	25%	0.252	10%	0.096	S	C	.	.	H	α-helix	trans	-67.8	-40.7	178.3	-170	59	42.1	0	0	112.2	F132 Q928 L930 V934 I935 E936	F132-Q932 HydrophobicContact CD1-CG 3.63Å; F132-Q932 HydrophobicContact CD2-CB 4.09Å; F132-Q932 HydrophobicContact CD2-CG 3.98Å; F132-Q932 HydrophobicContact CE1-CB 4.47Å; F132-Q932 HydrophobicContact CE1-CG 3.52Å; F132-Q932 HydrophobicContact CE2-CB 3.9Å; F132-Q932 HydrophobicContact CE2-CG 3.84Å; F132-Q932 HydrophobicContact CG-CB 4.4Å; F132-Q932 HydrophobicContact CG-CG 3.84Å; F132-Q932 HydrophobicContact CZ-CB 4.08Å; F132-Q932 HydrophobicContact CZ-CG 3.58Å; Q928-Q932 WeakPolarHBondContact O-CB 3.44Å; Q928-Q932 PolarHBondContact O-N 3.16Å; L930-Q932 VanDerWaalsContact C-N 3.35Å; L930-Q932 PolarHBondContact O-N 3.43Å; Q932-V934 PolarHBondContact O-N 3.37Å; Q932-I935 PolarHBondContact O-N 3.48Å; Q932-E936 PolarHBondContact O-N 3.19Å
933	S	82.2	Confident	84.2	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-60.3	-37	174.7	-59.1	0	0	0	0	111.9	R874 I878 N929 L930 T937	R874-S933 PolarHBondContact NE-OG 3.35Å; R874-S933 PolarHBondContact NH2-OG 3.48Å; I878-S933 WeakPolarHBondContact CD1-OG 3.35Å; N929-S933 VanDerWaalsContact O-CB 3.23Å; N929-S933 WeakPolarHBondContact O-CB 3.44Å; N929-S933 PolarHBondContact O-N 3.25Å; N929-S933 PolarHBondContact O-OG 2.95Å; L930-S933 PolarHBondContact O-N 2.9Å; S933-T937 WeakPolarHBondContact O-CB 3.28Å; S933-T937 PolarHBondContact O-N 3.09Å; S933-T937 PolarHBondContact O-OG1 2.64Å
934	V	91.1	Very high	84.3	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-68.9	-43.4	176.3	174.1	0	0	0	0	111.2	L792 T810 M813 I875 L930 M931 Q932 E936 T937 L938	L792-V934 HydrophobicContact CD1-CB 4.26Å; L792-V934 HydrophobicContact CD1-CG1 3.63Å; L792-V934 HydrophobicContact CD2-CB 4.5Å; L792-V934 HydrophobicContact CD2-CG1 4.02Å; T810-V934 HydrophobicContact CG2-CG1 3.28Å; M813-V934 HydrophobicContact CE-CG2 3.67Å; M813-V934 HydrophobicContact SD-CG1 4.44Å; M813-V934 HydrophobicContact SD-CG2 3.93Å; I875-V934 HydrophobicContact CD1-CB 4.45Å; I875-V934 HydrophobicContact CD1-CG2 3.82Å; I875-V934 HydrophobicContact CG1-CG2 4.14Å; I875-V934 HydrophobicContact CG2-CG2 4.45Å; L930-V934 HydrophobicContact CD1-CG2 4.47Å; L930-V934 WeakPolarHBondContact O-CG2 3.16Å; L930-V934 PolarHBondContact O-N 3.13Å; M931-V934 PolarHBondContact O-N 3.24Å; Q932-V934 PolarHBondContact O-N 3.37Å; V934-E936 VanDerWaalsContact C-N 3.34Å; V934-E936 PolarHBondContact O-N 2.94Å; V934-T937 WeakPolarHBondContact O-CB 3.27Å; V934-T937 PolarHBondContact O-N 2.95Å; V934-L938 WeakPolarHBondContact O-CG 3.39Å; V934-L938 PolarHBondContact O-N 2.58Å
935	I	84.8	Confident	84.6	Confident	11 Å²	11	16.4 Å²	16.4	6%	0.056	9%	0.094	C	C	.	.	H	α-helix	trans	-57.8	-48.2	174.7	-69.7	167.6	0	0	0	110.5	A791 L792 E795 M931 Q932 T937 L938 H939	A791-I935 HydrophobicContact CB-CD1 4.11Å; L792-I935 HydrophobicContact CB-CD1 4.39Å; L792-I935 HydrophobicContact CB-CG1 4.3Å; L792-I935 HydrophobicContact CD1-CG1 3.68Å; E795-I935 HydrophobicContact CG-CG2 4.32Å; M931-I935 WeakPolarHBondContact O-CG1 3.24Å; M931-I935 PolarHBondContact O-N 2.91Å; Q932-I935 PolarHBondContact O-N 3.48Å; I935-T937 VanDerWaalsContact C-N 3.32Å; I935-T937 PolarHBondContact O-N 3.43Å; I935-L938 WeakPolarHBondContact O-CB 3.47Å; I935-L938 PolarHBondContact O-N 2.71Å; I935-L938 VanDerWaalsContact O-N 3.15Å; I935-H939 PolarHBondContact O-CD2 3.03Å; I935-H939 PolarHBondContact O-N 3.03Å
936	E	80	Confident	85.2	Confident	42 Å²	42	21.6 Å²	21.6	20%	0.196	12%	0.116	C	C	.	.	H	α-helix	trans	-62.1	-42	178.8	-167.4	-179.5	-176.1	0	0	111.6	F132 L871 R874 Q932 V934 L938 H939 V940	F132-E936 VanDerWaalsContact CZ-OE2 3.26Å; F132-E936 WeakPolarHBondContact CZ-OE2 3.27Å; L871-E936 HydrophobicContact CD1-CB 4.42Å; L871-E936 HydrophobicContact CD1-CG 3.82Å; L871-E936 HydrophobicContact CD2-CB 4.49Å; L871-E936 VanDerWaalsContact CD2-CD 3.48Å; L871-E936 HydrophobicContact CD2-CG 4.1Å; L871-E936 VanDerWaalsContact CD2-OE2 3.26Å; L871-E936 WeakPolarHBondContact CD2-OE2 3.45Å; R874-E936 IonicContact NH2-OE2 3.54Å; R874-E936 PolarHBondContact NH2-OE2 3.48Å; Q932-E936 PolarHBondContact O-N 3.19Å; V934-E936 VanDerWaalsContact C-N 3.34Å; V934-E936 PolarHBondContact O-N 2.94Å; E936-L938 VanDerWaalsContact C-N 3.28Å; E936-L938 PolarHBondContact O-N 3.26Å; E936-H939 PolarHBondContact O-N 3.29Å; E936-H939 VanDerWaalsContact O-N 3.14Å; E936-V940 WeakPolarHBondContact O-CG2 3.31Å; E936-V940 PolarHBondContact O-N 2.89Å
937	T	89.4	Confident	85.3	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-60.1	-37.6	175.1	-61.6	0	0	0	0	111.8	V848 A852 L868 L871 I875 S933 V934 I935 A941	V848-T937 HydrophobicContact CG1-CG2 4.35Å; A852-T937 HydrophobicContact CB-CG2 4.03Å; L868-T937 HydrophobicContact CD1-CG2 3.87Å; L871-T937 WeakPolarHBondContact CB-OG1 3.09Å; I875-T937 HydrophobicContact CD1-CG2 4.13Å; I875-T937 WeakPolarHBondContact CD1-OG1 3.39Å; S933-T937 WeakPolarHBondContact O-CB 3.28Å; S933-T937 PolarHBondContact O-N 3.09Å; S933-T937 PolarHBondContact O-OG1 2.64Å; V934-T937 WeakPolarHBondContact O-CB 3.27Å; V934-T937 PolarHBondContact O-N 2.95Å; I935-T937 VanDerWaalsContact C-N 3.32Å; I935-T937 PolarHBondContact O-N 3.43Å; T937-A941 WeakPolarHBondContact O-CB 3.41Å; T937-A941 PolarHBondContact O-N 3.49Å
938	L	90	Very high	85.2	Confident	2 Å²	2	26.9 Å²	26.9	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-62.7	-43.3	175	-72.6	171.6	0	0	0	111.9	L792 T796 L806 I807 T810 V934 I935 E936 A941 E942 W958	L792-L938 HydrophobicContact CD1-CD1 4.13Å; T796-L938 HydrophobicContact CG2-CD1 3.57Å; L806-L938 HydrophobicContact CD1-CD2 4.43Å; L806-L938 HydrophobicContact CD2-CD2 3.92Å; L806-L938 HydrophobicContact CG-CD2 3.78Å; I807-L938 HydrophobicContact CD1-CD2 3.69Å; T810-L938 HydrophobicContact CG2-CD1 4.11Å; T810-L938 HydrophobicContact CG2-CD2 3.92Å; T810-L938 HydrophobicContact CG2-CG 4.12Å; V934-L938 WeakPolarHBondContact O-CG 3.39Å; V934-L938 PolarHBondContact O-N 2.58Å; I935-L938 WeakPolarHBondContact O-CB 3.47Å; I935-L938 PolarHBondContact O-N 2.71Å; I935-L938 VanDerWaalsContact O-N 3.15Å; E936-L938 VanDerWaalsContact C-N 3.28Å; E936-L938 PolarHBondContact O-N 3.26Å; L938-A941 PolarHBondContact O-N 3.35Å; L938-E942 PolarHBondContact O-N 3.46Å; L938-W958 HydrophobicContact CD2-CH2 4.21Å; L938-W958 WeakPolarHBondContact O-CH2 3.38Å
939	H	83.4	Confident	85.3	Confident	65 Å²	65	30.2 Å²	30.2	30%	0.301	15%	0.152	S	C	.	.	H	α-helix	trans	-67.1	-44.5	179.8	-60.4	171.1	0	0	0	111.4	E795 I935 E936 A941 E942 G943 R982	E795-H939 IonicContact OE1-CD2 2.69Å; E795-H939 IonicContact OE1-CE1 2.77Å; E795-H939 IonicContact OE1-NE2 2.82Å; E795-H939 PolarHBondContact OE1-NE2 3.35Å; E795-H939 IonicContact OE2-NE2 3.82Å; I935-H939 PolarHBondContact O-CD2 3.03Å; I935-H939 PolarHBondContact O-N 3.03Å; E936-H939 PolarHBondContact O-N 3.29Å; E936-H939 VanDerWaalsContact O-N 3.14Å; H939-A941 VanDerWaalsContact C-N 3.32Å; H939-A941 PolarHBondContact O-N 2.79Å; H939-E942 WeakPolarHBondContact O-CB 3.43Å; H939-E942 PolarHBondContact O-N 3.33Å; H939-G943 PolarHBondContact O-N 2.92Å; H939-G943 VanDerWaalsContact O-N 3.13Å; H939-R982 PolarHBondContact CD2-NH2 3.25Å; H939-R982 PolarHBondContact CE1-NH2 3.36Å; H939-R982 VanDerWaalsContact CE1-NH2 3.33Å; H939-R982 PolarHBondContact NE2-NH2 3.35Å
940	V	84.3	Confident	85	Confident	24 Å²	24	34.4 Å²	34.4	15%	0.145	18%	0.177	C	C	.	.	H	α-helix	trans	-66.7	-36.6	176.8	-179.9	0	0	0	0	110.9	I864 N867 L868 L871 E936 G943 A944	I864-V940 HydrophobicContact CG2-CG1 4.07Å; N867-V940 HydrophobicContact CB-CG1 4.39Å; L868-V940 HydrophobicContact CB-CG1 3.83Å; L868-V940 HydrophobicContact CD1-CB 4.36Å; L868-V940 HydrophobicContact CD1-CG1 4.15Å; L871-V940 HydrophobicContact CD1-CB 4.16Å; L871-V940 HydrophobicContact CD1-CG2 3.65Å; E936-V940 WeakPolarHBondContact O-CG2 3.31Å; E936-V940 PolarHBondContact O-N 2.89Å; V940-G943 PolarHBondContact O-N 3.17Å; V940-A944 VanDerWaalsContact O-CB 3.3Å; V940-A944 WeakPolarHBondContact O-CB 3.4Å; V940-A944 PolarHBondContact O-N 3.48Å
941	A	90.6	Very high	84.1	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64.9	-40.9	174.5	0	0	0	0	0	112.3	L806 L855 L868 T937 L938 H939 G943 A944 S945 W958	L806-A941 HydrophobicContact CD2-CB 3.57Å; L855-A941 HydrophobicContact CD2-CB 3.51Å; L855-A941 WeakPolarHBondContact CD2-O 3.45Å; L868-A941 HydrophobicContact CD1-CB 4.33Å; T937-A941 WeakPolarHBondContact O-CB 3.41Å; T937-A941 PolarHBondContact O-N 3.49Å; L938-A941 PolarHBondContact O-N 3.35Å; H939-A941 VanDerWaalsContact C-N 3.32Å; H939-A941 PolarHBondContact O-N 2.79Å; A941-G943 PolarHBondContact O-N 2.97Å; A941-A944 PolarHBondContact O-N 3.44Å; A941-S945 PolarHBondContact O-N 3.36Å; A941-W958 HydrophobicContact CB-CH2 4.47Å; A941-W958 HydrophobicContact CB-CZ2 4.05Å
942	E	86.5	Confident	83.1	Confident	45 Å²	45	44.1 Å²	44.1	21%	0.21	23%	0.225	C	C	.	.	H	α-helix	trans	-57	-51	173.4	-173.1	-171.2	178.8	0	0	110.4	W799 L938 H939 A944 S945 W958 R982	W799-E942 VanDerWaalsContact CH2-OE1 3.28Å; W799-E942 WeakPolarHBondContact CH2-OE1 3.33Å; L938-E942 PolarHBondContact O-N 3.46Å; H939-E942 WeakPolarHBondContact O-CB 3.43Å; H939-E942 PolarHBondContact O-N 3.33Å; E942-A944 PolarHBondContact O-N 3.36Å; E942-S945 WeakPolarHBondContact O-CB 3.44Å; E942-S945 PolarHBondContact O-N 3.49Å; E942-S945 PolarHBondContact O-OG 2.89Å; E942-W958 HydrophobicContact CB-CD2 4.28Å; E942-W958 HydrophobicContact CB-CE3 4.41Å; E942-W958 HydrophobicContact CB-CH2 4.12Å; E942-W958 HydrophobicContact CB-CZ2 3.98Å; E942-W958 HydrophobicContact CB-CZ3 4.31Å; E942-W958 HydrophobicContact CG-CD2 4.13Å; E942-W958 HydrophobicContact CG-CE3 4.34Å; E942-W958 HydrophobicContact CG-CG 4.42Å; E942-R982 IonicContact OE2-CZ 3.56Å; E942-R982 IonicContact OE2-NH1 3.34Å; E942-R982 PolarHBondContact OE2-NH1 3.45Å
943	G	84.3	Confident	82.6	Confident	27 Å²	27	45.1 Å²	45.1	28%	0.278	25%	0.25	S	S	.	.	H	α-helix	trans	-61	-42	176.4	0	0	0	0	0	113.5	H939 V940 A941 S945 I946	H939-G943 PolarHBondContact O-N 2.92Å; H939-G943 VanDerWaalsContact O-N 3.13Å; V940-G943 PolarHBondContact O-N 3.17Å; A941-G943 PolarHBondContact O-N 2.97Å; G943-S945 VanDerWaalsContact C-N 3.26Å; G943-S945 PolarHBondContact O-N 3.44Å; G943-I946 WeakPolarHBondContact O-CB 3.36Å; G943-I946 PolarHBondContact O-N 2.91Å
944	A	87.5	Confident	82	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.8	-34.2	177.3	0	0	0	0	0	112.4	L855 C859 I864 L868 V940 A941 E942 I946 K947 M948	L855-A944 HydrophobicContact CD1-CB 4.4Å; L855-A944 HydrophobicContact CD2-CB 4.11Å; L855-A944 HydrophobicContact CG-CB 4.01Å; C859-A944 HydrophobicContact CB-CB 4.4Å; I864-A944 HydrophobicContact CG2-CB 3.68Å; L868-A944 HydrophobicContact CD2-CB 3.98Å; V940-A944 VanDerWaalsContact O-CB 3.3Å; V940-A944 WeakPolarHBondContact O-CB 3.4Å; V940-A944 PolarHBondContact O-N 3.48Å; A941-A944 PolarHBondContact O-N 3.44Å; E942-A944 PolarHBondContact O-N 3.36Å; A944-I946 PolarHBondContact O-N 3.04Å; A944-K947 CarbonylContact O-C 3.33Å; A944-K947 PolarHBondContact O-N 3.31Å; A944-M948 PolarHBondContact O-N 2.81Å
945	S	88.1	Confident	80.9	Confident	26 Å²	26	60 Å²	60	18%	0.182	31%	0.312	C	S	.	.	H	α-helix	trans	-64.5	-27	-180	77.3	0	0	0	0	113.4	A941 E942 G943 K947 W958	A941-S945 PolarHBondContact O-N 3.36Å; E942-S945 WeakPolarHBondContact O-CB 3.44Å; E942-S945 PolarHBondContact O-N 3.49Å; E942-S945 PolarHBondContact O-OG 2.89Å; G943-S945 VanDerWaalsContact C-N 3.26Å; G943-S945 PolarHBondContact O-N 3.44Å; S945-K947 VanDerWaalsContact C-N 3.29Å; S945-K947 PolarHBondContact O-N 3.27Å; S945-W958 PolarHBondContact OG-NE1 3.09Å; S945-W958 VanDerWaalsContact OG-NE1 3.09Å
946	I	84.7	Confident	80.4	Confident	126 Å²	126	61.2 Å²	61.2	65%	0.646	32%	0.317	S	S	*	.	H	α-helix	trans	-71.8	-26.8	175.7	-56.6	171.3	0	0	0	111.1	G943 A944	G943-I946 WeakPolarHBondContact O-CB 3.36Å; G943-I946 PolarHBondContact O-N 2.91Å; A944-I946 PolarHBondContact O-N 3.04Å
947	K	85	Confident	80.4	Confident	81 Å²	81	62 Å²	62	35%	0.352	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	29.2	-176.1	-63.9	-69.8	-172.8	173.1	0	112.4	C859 T860 D861 I864 A944 S945	C859-K947 WeakPolarHBondContact CA-O 3.44Å; T860-K947 PolarHBondContact N-O 3.44Å; T860-K947 PolarHBondContact OG1-O 3.09Å; D861-K947 HydrophobicContact CB-CB 4.22Å; D861-K947 HydrophobicContact CB-CG 4.27Å; I864-K947 HydrophobicContact CD1-CG 4.29Å; A944-K947 CarbonylContact O-C 3.33Å; A944-K947 PolarHBondContact O-N 3.31Å; S945-K947 VanDerWaalsContact C-N 3.29Å; S945-K947 PolarHBondContact O-N 3.27Å
948	M	83.9	Confident	80.1	Confident	32 Å²	32	63.8 Å²	63.8	16%	0.158	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-76.3	148.8	177.7	-73.2	-179.5	67.5	0	0	112.7	L855 E858 A944 V950 Y954 F956	L855-M948 HydrophobicContact CD1-CE 4.31Å; L855-M948 HydrophobicContact CD1-CG 3.83Å; L855-M948 HydrophobicContact CD1-SD 3.51Å; L855-M948 VanDerWaalsContact CD1-SD 3.51Å; E858-M948 HydrophobicContact CB-CE 3.93Å; E858-M948 HydrophobicContact CG-CE 4.47Å; E858-M948 CarbonylContact O-C 2.92Å; E858-M948 WeakPolarHBondContact O-CA 3.49Å; A944-M948 PolarHBondContact O-N 2.81Å; M948-V950 PolarHBondContact O-N 3.09Å; M948-Y954 VanDerWaalsContact CE-O 3.28Å; M948-Y954 WeakPolarHBondContact CE-O 3.34Å; M948-F956 HydrophobicContact CE-CD2 4.49Å; M948-F956 HydrophobicContact SD-CD2 4.32Å
949	R	81.4	Confident	79.6	Confident	85 Å²	85	67.6 Å²	67.6	32%	0.321	35%	0.349	S	S	.	.			trans	-57.9	130	169.9	-72.6	-171.4	-164.6	103.3	8.1	110.6	E585 K857 E858 T860 H951 S952	E585-R949 IonicContact OE2-NH2 3Å; E585-R949 PolarHBondContact OE2-NH2 3Å; K857-R949 PolarHBondContact O-NH1 3.17Å; K857-R949 PolarHBondContact O-NH2 2.92Å; E858-R949 PolarHBondContact O-N 2.83Å; E858-R949 IonicContact OE2-NH1 3.54Å; T860-R949 HydrophobicContact CG2-CB 4.37Å; T860-R949 HydrophobicContact CG2-CG 3.45Å; T860-R949 VanDerWaalsContact CG2-CG 3.45Å; R949-H951 PolarHBondContact O-N 3.32Å; R949-H951 VanDerWaalsContact O-N 3.11Å; R949-S952 WeakPolarHBondContact O-CB 3.49Å; R949-S952 PolarHBondContact O-N 3.15Å; R949-S952 VanDerWaalsContact O-N 3.12Å; R949-S952 PolarHBondContact O-OG 3.4Å; R949-S952 VanDerWaalsContact O-OG 3.09Å
950	V	70.6	Confident	79.4	Confident	100 Å²	100	67.8 Å²	67.8	61%	0.606	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-25	-176	-156.5	0	0	0	0	113	M948	M948-V950 PolarHBondContact O-N 3.09Å
951	H	69.6	Low	78.6	Confident	178 Å²	178	70.3 Å²	70.3	82%	0.824	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	9.8	-178	-55.2	-47.6	0	0	0	114.3	R949 G953	R949-H951 PolarHBondContact O-N 3.32Å; R949-H951 VanDerWaalsContact O-N 3.11Å; H951-G953 PolarHBondContact O-N 2.74Å
952	S	68.1	Low	76.8	Confident	28 Å²	28	76 Å²	76	20%	0.196	39%	0.394	C	S	.	.			trans	-65	-25.5	-176.1	64.4	0	0	0	0	113.4	E858 R949 Y954	E858-S952 WeakPolarHBondContact OE2-CB 3.24Å; R949-S952 WeakPolarHBondContact O-CB 3.49Å; R949-S952 PolarHBondContact O-N 3.15Å; R949-S952 VanDerWaalsContact O-N 3.12Å; R949-S952 PolarHBondContact O-OG 3.4Å; R949-S952 VanDerWaalsContact O-OG 3.09Å; S952-Y954 VanDerWaalsContact O-CD2 3.31Å; S952-Y954 WeakPolarHBondContact O-CD2 3.49Å; S952-Y954 PolarHBondContact O-N 3.35Å; S952-Y954 PolarHBondContact OG-N 3.43Å; S952-Y954 PolarHBondContact OG-O 2.87Å
953	G	69.3	Low	74.8	Confident	75 Å²	75	81.3 Å²	81.3	77%	0.773	42%	0.416	S	S	*	.			trans	71.7	-17	-173.3	0	0	0	0	0	114.1	H951	H951-G953 PolarHBondContact O-N 2.74Å
954	Y	69.9	Low	72.5	Confident	139 Å²	139	84.7 Å²	84.7	55%	0.545	44%	0.436	S	S	.	.			trans	-78.3	133.6	173.8	-74.1	-84	0	0	0	110.6	V854 M948 S952	V854-Y954 HydrophobicContact CG1-CD1 4.25Å; V854-Y954 HydrophobicContact CG1-CE1 4.25Å; M948-Y954 VanDerWaalsContact CE-O 3.28Å; M948-Y954 WeakPolarHBondContact CE-O 3.34Å; S952-Y954 VanDerWaalsContact O-CD2 3.31Å; S952-Y954 WeakPolarHBondContact O-CD2 3.49Å; S952-Y954 PolarHBondContact O-N 3.35Å; S952-Y954 PolarHBondContact OG-N 3.43Å; S952-Y954 PolarHBondContact OG-O 2.87Å
955	K	67.7	Low	69.8	Low	174 Å²	174	91.8 Å²	91.8	76%	0.757	47%	0.473	S	S	*	.			trans	-127.3	117.2	174.7	-72.1	-176	178.6	-179.7	0	109.3	I957	K955-I957 HydrophobicContact CB-CG1 4.42Å
956	F	75.2	Confident	67.2	Low	37 Å²	37	95.1 Å²	95.1	16%	0.162	49%	0.488	C	S	.	.			trans	-90.7	113.2	161.9	-79.5	-92.8	0	0	0	107.9	L806 L855 M948	L806-F956 HydrophobicContact CB-CE1 4.11Å; L855-F956 HydrophobicContact CB-CD2 4.45Å; L855-F956 HydrophobicContact CB-CE2 3.89Å; L855-F956 HydrophobicContact CB-CZ 4.21Å; L855-F956 HydrophobicContact CD1-CD2 3.84Å; L855-F956 HydrophobicContact CD1-CE2 4.1Å; L855-F956 HydrophobicContact CG-CE2 4.44Å; M948-F956 HydrophobicContact CE-CD2 4.49Å; M948-F956 HydrophobicContact SD-CD2 4.32Å
957	I	79.6	Confident	64.4	Low	59 Å²	59	96.8 Å²	96.8	30%	0.303	50%	0.499	S	S	.	.			trans	-94	110.2	-178.9	-56.2	-178.3	0	0	0	108.6	D803 N804 K955 N959	D803-I957 HydrophobicContact CB-CD1 4.06Å; N804-I957 PolarHBondContact ND2-O 3.43Å; K955-I957 HydrophobicContact CB-CG1 4.42Å; I957-N959 HydrophobicContact CG2-CB 4.36Å; I957-N959 WeakPolarHBondContact CG2-ND2 3.37Å; I957-N959 PolarHBondContact O-N 3.41Å
958	W	83.3	Confident	61.7	Low	36 Å²	36	102.7 Å²	102.7	14%	0.136	52%	0.52	C	S	.	.			trans	-91.5	84.4	174	-66.7	96.3	0	0	0	109.5	W799 L806 I807 L938 A941 E942 S945 P960	W799-W958 AromaticContact CD2-CE3 3.63Å; W799-W958 HydrophobicContact CD2-CE3 3.63Å; W799-W958 HydrophobicContact CD2-CZ3 4.1Å; W799-W958 AromaticContact CE2-CE3 3.82Å; W799-W958 HydrophobicContact CE3-CB 4.11Å; W799-W958 AromaticContact CE3-CE3 3.8Å; W799-W958 HydrophobicContact CE3-CE3 3.8Å; W799-W958 HydrophobicContact CG-CE3 4.06Å; W799-W958 HydrophobicContact CG-CZ3 4.17Å; W799-W958 HydrophobicContact CH2-CE3 4.27Å; W799-W958 HydrophobicContact CZ2-CE3 4.14Å; W799-W958 HydrophobicContact CZ3-CB 3.81Å; W799-W958 HydrophobicContact CZ3-CE3 4.11Å; L806-W958 HydrophobicContact CD2-CH2 4.44Å; L806-W958 HydrophobicContact CD2-CZ2 4.44Å; I807-W958 HydrophobicContact CD1-CH2 4.24Å; I807-W958 HydrophobicContact CD1-CZ3 3.77Å; I807-W958 HydrophobicContact CG1-CZ3 4.27Å; L938-W958 HydrophobicContact CD2-CH2 4.21Å; L938-W958 WeakPolarHBondContact O-CH2 3.38Å; A941-W958 HydrophobicContact CB-CH2 4.47Å; A941-W958 HydrophobicContact CB-CZ2 4.05Å; E942-W958 HydrophobicContact CB-CD2 4.28Å; E942-W958 HydrophobicContact CB-CE3 4.41Å; E942-W958 HydrophobicContact CB-CH2 4.12Å; E942-W958 HydrophobicContact CB-CZ2 3.98Å; E942-W958 HydrophobicContact CB-CZ3 4.31Å; E942-W958 HydrophobicContact CG-CD2 4.13Å; E942-W958 HydrophobicContact CG-CE3 4.34Å; E942-W958 HydrophobicContact CG-CG 4.42Å; S945-W958 PolarHBondContact OG-NE1 3.09Å; S945-W958 VanDerWaalsContact OG-NE1 3.09Å; W958-P960 WeakPolarHBondContact O-CD 3.24Å
959	N	79.6	Confident	59.1	Low	83 Å²	83	107.1 Å²	107.1	44%	0.444	55%	0.545	S	S	.	.			trans	-96.3	112.9	178.1	-89	-20.9	0	0	0	110.7	S800 I957 R961	S800-N959 PolarHBondContact N-O 2.82Å; I957-N959 HydrophobicContact CG2-CB 4.36Å; I957-N959 WeakPolarHBondContact CG2-ND2 3.37Å; I957-N959 PolarHBondContact O-N 3.41Å; N959-R961 PolarHBondContact O-N 3.44Å
960	P	78.5	Confident	56.5	Low	68 Å²	68	110.8 Å²	110.8	44%	0.442	57%	0.571	S	S	.	*	B	Isolated β-bridge	trans	-70.4	130.5	176.3	-10.1	24.3	0	0	0	110.1	L798 W799 W958 N962	L798-P960 CarbonylContact O-C 3.53Å; L798-P960 WeakPolarHBondContact O-CA 3.32Å; W799-P960 HydrophobicContact CZ3-CG 4.13Å; W958-P960 WeakPolarHBondContact O-CD 3.24Å; P960-N962 PolarHBondContact O-N 3.35Å
961	R	67.7	Low	55.1	Low	77 Å²	77	109.7 Å²	109.7	29%	0.291	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-63.3	129.9	173.4	-82.8	-169.7	156.3	154.9	9.4	110.9	E769 D771 L798 N959	E769-R961 IonicContact OE2-CZ 3.8Å; E769-R961 IonicContact OE2-NE 3.7Å; E769-R961 PolarHBondContact OE2-NE 3.46Å; E769-R961 IonicContact OE2-NH2 2.86Å; E769-R961 PolarHBondContact OE2-NH2 3.46Å; D771-R961 IonicContact OD1-NH2 3.68Å; D771-R961 IonicContact OD2-CZ 2.75Å; D771-R961 IonicContact OD2-NH1 3.58Å; D771-R961 PolarHBondContact OD2-NH1 2.85Å; D771-R961 IonicContact OD2-NH2 3.72Å; D771-R961 PolarHBondContact OD2-NH2 3.36Å; L798-R961 PolarHBondContact O-N 2.97Å; N959-R961 PolarHBondContact O-N 3.44Å
962	N	51.7	Low	53.4	Low	120 Å²	120	107.3 Å²	107.3	64%	0.642	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-81.2	125.9	168.5	-90.3	-14.5	0	0	0	108.7	P960 S964 K975	P960-N962 PolarHBondContact O-N 3.35Å; N962-S964 PolarHBondContact O-N 3.21Å; N962-K975 PolarHBondContact OD1-NZ 3.47Å
963	K	45.6	Very low	51.9	Low	157 Å²	157	110.1 Å²	110.1	68%	0.683	57%	0.573	S	S	*	*	S	Bend	trans	-68.6	44.5	173.2	-76.7	-172.7	172.3	-174.5	0	112.7
964	S	36.3	Very low	50.3	Low	98 Å²	98	109.2 Å²	109.2	69%	0.685	55%	0.55	S	S	*	.	S	Bend	trans	-85.2	-7.2	174.4	48.2	0	0	0	0	113.6	N962	N962-S964 PolarHBondContact O-N 3.21Å
965	N	29.9	Very low	48.8	Very low	148 Å²	148	107.5 Å²	107.5	79%	0.791	55%	0.545	S	S	*	.	S	Bend	trans	-113.9	4.6	179	-76.5	-12.4	0	0	0	115.2
966	L	33	Very low	47.2	Very low	96 Å²	96	105.3 Å²	105.3	50%	0.503	54%	0.538	S	S	.	.	S	Bend	trans	-99.7	107.4	167.4	-83.3	138.4	0	0	0	107.9	Y968	L966-Y968 PolarHBondContact O-N 2.97Å
967	N	26.9	Very low	45.2	Very low	161 Å²	161	105 Å²	105	86%	0.861	54%	0.538	S	S	*	.	S	Bend	trans	-54.9	99.3	168.5	-101.3	-19.3	0	0	0	109.3
968	Y	27.3	Very low	42.9	Very low	205 Å²	205	106.9 Å²	106.9	80%	0.804	54%	0.541	S	S	*	.	S	Bend	trans	157.9	117.6	132.8	-95.9	-83.2	0	0	0	110.2	L966	L966-Y968 PolarHBondContact O-N 2.97Å
969	N	29.3	Very low	40.6	Very low	126 Å²	126	108.7 Å²	108.7	67%	0.674	56%	0.56	S	S	*	*			trans	63.2	107.6	158.8	-66	-16.8	0	0	0	121.4	N971	N969-N971 PolarHBondContact O-N 3.15Å
970	N	28.3	Very low	38.3	Very low	162 Å²	162	108.8 Å²	108.8	87%	0.866	56%	0.559	S	S	*	*			trans	14.9	98.6	144.4	-71.4	-16.5	0	0	0	117.5
971	N	39.6	Very low	36	Very low	77 Å²	77	107.6 Å²	107.6	41%	0.412	55%	0.551	S	S	.	*			trans	-153.1	87.7	162.2	-118.1	-21.3	0	0	0	113	N969	N969-N971 PolarHBondContact O-N 3.15Å
972	T	35.7	Very low	34.2	Very low	128 Å²	128	110.3 Å²	110.3	79%	0.785	56%	0.561	S	S	*	*	S	Bend	trans	-84.4	-7.8	168.1	41	0	0	0	0	113.1
973	N	35.5	Very low	33.4	Very low	87 Å²	87	109.9 Å²	109.9	47%	0.465	56%	0.557	S	S	.	*	S	Bend	trans	-93.9	-11.6	-171.7	-70.8	-18.2	0	0	0	115.3	K975 Q976	N973-K975 VanDerWaalsContact C-N 3.27Å; N973-K975 PolarHBondContact O-N 3.07Å; N973-Q976 PolarHBondContact O-N 2.97Å
974	N	36.6	Very low	32.7	Very low	56 Å²	56	107.4 Å²	107.4	30%	0.299	55%	0.55	S	S	.	*	H	α-helix	trans	-72.1	-18.4	178.2	-79.9	3.9	0	0	0	113.8	M372 Y978	M372-N974 PolarHBondContact SD-OD1 2.73Å; N974-Y978 PolarHBondContact O-N 3.38Å
975	K	37.9	Very low	32.5	Very low	103 Å²	103	107.9 Å²	107.9	45%	0.448	54%	0.543	S	S	.	.	H	α-helix	trans	-71.4	-30.9	177.7	-72.8	-175.5	174.8	-178.3	0	112.8	N962 N973 S979	N962-K975 PolarHBondContact OD1-NZ 3.47Å; N973-K975 VanDerWaalsContact C-N 3.27Å; N973-K975 PolarHBondContact O-N 3.07Å; K975-S979 PolarHBondContact O-N 3.39Å
976	Q	33	Very low	32.7	Very low	127 Å²	127	105.5 Å²	105.5	59%	0.593	53%	0.528	S	S	*	.	H	α-helix	trans	-74.5	-33.7	177.7	-89.5	177.8	-18.2	0	0	112.3	N973 S979 I980	N973-Q976 PolarHBondContact O-N 2.97Å; Q976-S979 CarbonylContact O-C 3.55Å; Q976-S979 PolarHBondContact O-N 2.97Å; Q976-S979 PolarHBondContact O-OG 3.45Å; Q976-I980 HydrophobicContact CB-CD1 4.2Å; Q976-I980 VanDerWaalsContact O-CB 3.26Å; Q976-I980 WeakPolarHBondContact O-CB 3.4Å; Q976-I980 WeakPolarHBondContact O-CD1 3.48Å; Q976-I980 WeakPolarHBondContact O-CG1 3.46Å; Q976-I980 PolarHBondContact O-N 3.27Å
977	I	33.4	Very low	32.7	Very low	32 Å²	32	106.1 Å²	106.1	16%	0.164	53%	0.53	C	S	.	.	H	α-helix	trans	-75.9	-37.3	-176.8	-60.5	179.5	0	0	0	111.4	M372 R376 S979 I980 V981	M372-I977 HydrophobicContact CE-CD1 3.77Å; R376-I977 HydrophobicContact CG-CD1 4.34Å; I977-S979 VanDerWaalsContact C-N 3.27Å; I977-S979 PolarHBondContact O-N 3.3Å; I977-I980 PolarHBondContact O-N 3.21Å; I977-V981 PolarHBondContact O-N 2.93Å
978	Y	31.9	Very low	33	Very low	97 Å²	97	102.5 Å²	102.5	38%	0.38	51%	0.508	S	S	.	.	H	α-helix	trans	-66.1	-27.3	172.2	-99.4	-88.2	0	0	0	113.1	N974 R982	N974-Y978 PolarHBondContact O-N 3.38Å; Y978-R982 WeakPolarHBondContact O-CB 3.38Å; Y978-R982 PolarHBondContact O-N 2.94Å
979	S	35	Very low	33.5	Very low	75 Å²	75	95.1 Å²	95.1	52%	0.524	49%	0.487	S	S	.	.	H	α-helix	trans	-94.9	3.3	175.3	88.3	0	0	0	0	114.6	K975 Q976 I977	K975-S979 PolarHBondContact O-N 3.39Å; Q976-S979 CarbonylContact O-C 3.55Å; Q976-S979 PolarHBondContact O-N 2.97Å; Q976-S979 PolarHBondContact O-OG 3.45Å; I977-S979 VanDerWaalsContact C-N 3.27Å; I977-S979 PolarHBondContact O-N 3.3Å
980	I	30.5	Very low	33.8	Very low	85 Å²	85	92.8 Å²	92.8	44%	0.436	47%	0.472	S	S	.	.	H	α-helix	trans	-103.9	-21.9	175.6	-75.9	165.4	0	0	0	110.1	Q976 I977	Q976-I980 HydrophobicContact CB-CD1 4.2Å; Q976-I980 VanDerWaalsContact O-CB 3.26Å; Q976-I980 WeakPolarHBondContact O-CB 3.4Å; Q976-I980 WeakPolarHBondContact O-CD1 3.48Å; Q976-I980 WeakPolarHBondContact O-CG1 3.46Å; Q976-I980 PolarHBondContact O-N 3.27Å; I977-I980 PolarHBondContact O-N 3.21Å
981	V	31	Very low	34.2	Very low	43 Å²	43	87 Å²	87	26%	0.261	44%	0.44	S	S	.	.	H	α-helix	trans	-94.7	-28.2	172.1	-179.7	0	0	0	0	111.8	L277 I977	L277-V981 HydrophobicContact CD2-CG1 3.72Å; L277-V981 HydrophobicContact CG-CG1 4.43Å; I977-V981 PolarHBondContact O-N 2.93Å
982	R	30.9	Very low	33.7	Very low	134 Å²	134	87.9 Å²	87.9	51%	0.506	44%	0.442	S	S	.	.			trans	-88.2	0	159.9	-78	-170.2	-178.1	151.4	19.1	109.7	E795 H939 E942 Y978	E795-R982 IonicContact OE1-CZ 2.77Å; E795-R982 IonicContact OE1-NH1 3.49Å; E795-R982 IonicContact OE1-NH2 3.56Å; E795-R982 PolarHBondContact OE1-NH2 2.89Å; H939-R982 PolarHBondContact CD2-NH2 3.25Å; H939-R982 PolarHBondContact CE1-NH2 3.36Å; H939-R982 VanDerWaalsContact CE1-NH2 3.33Å; H939-R982 PolarHBondContact NE2-NH2 3.35Å; E942-R982 IonicContact OE2-CZ 3.56Å; E942-R982 IonicContact OE2-NH1 3.34Å; E942-R982 PolarHBondContact OE2-NH1 3.45Å; Y978-R982 WeakPolarHBondContact O-CB 3.38Å; Y978-R982 PolarHBondContact O-N 2.94Å

Retrieved 982 of 982 residues in 1278.6 ms (Link to these results)

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