A0A077ZCP7_TRITR Loading...

Serine:threonine protein phosphatase 2A

AlphaFold DB , UniProt , Accession A0A077ZCP7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 422 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.2	Very low	27.6	Very low	233 Å²	233	167.3 Å²	167.3	100%	1.148	85%	0.847	S	S	*	*				0	63.6	0	-168.9	-179.4	-176.7	0	0	109.3
2	F	31.5	Very low	27.7	Very low	207 Å²	207	161.1 Å²	161.1	91%	0.908	84%	0.841	S	S	*	*			trans	-152.8	78.4	166	-90.3	-75.5	0	0	0	106.9
3	Q	24.8	Very low	27.8	Very low	190 Å²	190	158.5 Å²	158.5	89%	0.888	84%	0.836	S	S	*	*			trans	-98.1	116.1	150.8	-82.8	178.5	-37	0	0	104.5
4	Q	28.2	Very low	27.8	Very low	175 Å²	175	159.9 Å²	159.9	82%	0.818	84%	0.835	S	S	*	*			trans	144.4	116.3	176.2	-91.9	171.8	-2.7	0	0	104.1
5	E	27.6	Very low	28.6	Very low	177 Å²	177	151.3 Å²	151.3	83%	0.827	80%	0.797	S	S	*	*			cis	-147.7	121.4	25.4	-71	162.6	152.5	0	0	107.8	G7	E5-G7 PolarHBondContact O-N 2.7Å; E5-G7 VanDerWaalsContact O-N 3.14Å
6	I	27.5	Very low	29.9	Very low	175 Å²	175	153.6 Å²	153.6	90%	0.897	80%	0.798	S	S	*	*			trans	-81.1	87.6	156.4	-65.6	169.2	0	0	0	104	S8	I6-S8 PolarHBondContact O-N 3.03Å; I6-S8 VanDerWaalsContact O-N 3.12Å
7	G	26.3	Very low	30.9	Very low	62 Å²	62	148.2 Å²	148.2	64%	0.639	77%	0.77	S	S	*	*			trans	-59.4	112.3	173.3	0	0	0	0	0	109.2	E5 S9	E5-G7 PolarHBondContact O-N 2.7Å; E5-G7 VanDerWaalsContact O-N 3.14Å; G7-S9 PolarHBondContact O-N 3.16Å
8	S	26.6	Very low	32.1	Very low	120 Å²	120	141.6 Å²	141.6	84%	0.839	74%	0.738	S	S	*	*			trans	-56.3	97.3	168.2	41.4	0	0	0	0	110.4	I6	I6-S8 PolarHBondContact O-N 3.03Å; I6-S8 VanDerWaalsContact O-N 3.12Å
9	S	25.4	Very low	33.2	Very low	95 Å²	95	135.8 Å²	135.8	66%	0.664	71%	0.71	S	S	*	*			trans	-132.3	51.4	162.9	174.8	0	0	0	0	109.4	G7 R11	G7-S9 PolarHBondContact O-N 3.16Å; S9-R11 PolarHBondContact O-N 2.97Å
10	H	30.1	Very low	34	Very low	187 Å²	187	130.3 Å²	130.3	87%	0.866	68%	0.68	S	S	*	*			trans	-79.5	69.9	161	-71.5	-70.5	0	0	0	108.3	A12	H10-A12 PolarHBondContact O-N 2.98Å; H10-A12 VanDerWaalsContact O-N 3.15Å
11	R	25.8	Very low	34.8	Very low	219 Å²	219	124.3 Å²	124.3	83%	0.826	65%	0.65	S	S	*	*			trans	-55.8	121	157.1	-87.1	-177.8	171	179	-2.4	105.5	S9 V13	S9-R11 PolarHBondContact O-N 2.97Å; R11-V13 PolarHBondContact O-N 2.82Å
12	A	29.4	Very low	35.7	Very low	93 Å²	93	120.5 Å²	120.5	77%	0.769	62%	0.622	S	S	*	*			trans	-43.9	111.1	165.8	0	0	0	0	0	106.5	H10 E14	H10-A12 PolarHBondContact O-N 2.98Å; H10-A12 VanDerWaalsContact O-N 3.15Å; A12-E14 VanDerWaalsContact C-N 3.3Å; A12-E14 PolarHBondContact O-N 3.21Å
13	V	28.7	Very low	36.4	Very low	128 Å²	128	110.9 Å²	110.9	78%	0.776	58%	0.58	S	S	*	*			trans	-61.5	105.6	174.1	176.1	0	0	0	0	103.2	R11 A15	R11-V13 PolarHBondContact O-N 2.82Å; V13-A15 PolarHBondContact O-N 3.27Å
14	E	28.2	Very low	37.5	Very low	178 Å²	178	105.5 Å²	105.5	83%	0.832	56%	0.562	S	S	*	*			trans	-53.8	102.2	164.1	-92.2	-176.7	159.6	0	0	104.7	A12 K16	A12-E14 VanDerWaalsContact C-N 3.3Å; A12-E14 PolarHBondContact O-N 3.21Å; E14-K16 PolarHBondContact O-N 3.06Å
15	A	39.1	Very low	38.4	Very low	31 Å²	31	102.6 Å²	102.6	26%	0.256	54%	0.544	S	S	.	.			trans	-66.3	90.9	179.1	0	0	0	0	0	105.4	V13 L17 M132	V13-A15 PolarHBondContact O-N 3.27Å; A15-L17 PolarHBondContact O-N 2.95Å; A15-M132 HydrophobicContact CB-CE 3.88Å; A15-M132 HydrophobicContact CB-SD 3.7Å
16	K	50.7	Low	39.3	Very low	188 Å²	188	99.6 Å²	99.6	82%	0.817	53%	0.533	S	S	*	.			trans	-52.3	116	177.7	-75.1	-174.1	177.8	-178.1	0	106.4	E14 M132	E14-K16 PolarHBondContact O-N 3.06Å; K16-M132 WeakPolarHBondContact O-CE 3.47Å
17	L	46.4	Very low	40.4	Very low	61 Å²	61	95.8 Å²	95.8	32%	0.319	51%	0.507	S	S	.	.			trans	-53.8	140	175.5	-71.2	158.9	0	0	0	107.7	A15 T19 L61 K62	A15-L17 PolarHBondContact O-N 2.95Å; L17-T19 PolarHBondContact O-N 3.32Å; L17-L61 HydrophobicContact CD2-CD2 3.98Å; L17-L61 HydrophobicContact CD2-CG 4.12Å; L17-K62 HydrophobicContact CD1-CD 3.9Å; L17-K62 HydrophobicContact CD1-CG 3.39Å; L17-K62 HydrophobicContact CD2-CG 4.14Å; L17-K62 HydrophobicContact CG-CG 4.39Å
18	P	53.1	Low	41.4	Very low	30 Å²	30	99.2 Å²	99.2	20%	0.195	52%	0.516	C	S	.	.			trans	-57.6	145	175.6	-18.8	32.5	0	0	0	109.2	I20 M132 W136	P18-I20 HydrophobicContact CB-CG1 4.3Å; P18-I20 WeakPolarHBondContact O-CG1 3.35Å; P18-I20 PolarHBondContact O-N 2.93Å; P18-M132 HydrophobicContact CG-CB 4.23Å; P18-W136 HydrophobicContact CB-CB 3.84Å; P18-W136 HydrophobicContact CB-CG 3.8Å; P18-W136 HydrophobicContact CG-CB 3.94Å; P18-W136 HydrophobicContact CG-CG 4.4Å
19	T	51.8	Low	42.5	Very low	32 Å²	32	96.5 Å²	96.5	20%	0.196	49%	0.494	C	S	.	.			trans	-64.8	102.7	167.3	-54.1	0	0	0	0	107.6	L17 F220	L17-T19 PolarHBondContact O-N 3.32Å; T19-F220 HydrophobicContact CG2-CB 4.34Å
20	I	49.3	Very low	43.8	Very low	25 Å²	25	94.6 Å²	94.6	13%	0.128	48%	0.481	C	S	.	.			trans	-95.9	114.5	-177.9	-67.2	167.1	0	0	0	108.3	P18 V58 L61	P18-I20 HydrophobicContact CB-CG1 4.3Å; P18-I20 WeakPolarHBondContact O-CG1 3.35Å; P18-I20 PolarHBondContact O-N 2.93Å; I20-V58 HydrophobicContact CB-CG2 3.9Å; I20-V58 HydrophobicContact CD1-CG2 3.93Å; I20-V58 HydrophobicContact CG1-CG2 4.5Å; I20-V58 HydrophobicContact CG2-CG2 3.9Å; I20-L61 HydrophobicContact CD1-CD2 3.87Å
21	C	51.8	Low	45.1	Very low	5 Å²	5	91.4 Å²	91.4	3%	0.034	47%	0.474	C	S	.	.			trans	-99.2	121.6	174.7	-65.4	0	0	0	0	110.4	M140 F220 R223	C21-M140 HydrophobicContact CB-CE 4.47Å; C21-F220 HydrophobicContact CB-CE1 4.43Å; C21-F220 HydrophobicContact CB-CZ 4.47Å; C21-F220 WeakPolarHBondContact SG-CE1 3.42Å; C21-R223 PolarHBondContact SG-NH1 3.4Å; C21-R223 PolarHBondContact SG-NH2 2.84Å
22	R	47.1	Very low	46.7	Very low	153 Å²	153	88.3 Å²	88.3	58%	0.577	47%	0.474	S	S	*	.			trans	-93.6	110.4	149.8	-67.6	-173	-178.3	-151.5	1.1	105.9
23	T	47	Very low	48.4	Very low	4 Å²	4	84.8 Å²	84.8	3%	0.025	45%	0.447	C	S	.	.			trans	-59.9	132	161	42.4	0	0	0	0	107.1	W25 Q146 Y147 Y163 L167	T23-W25 PolarHBondContact O-N 2.54Å; T23-Q146 PolarHBondContact OG1-OE1 2.87Å; T23-Q146 VanDerWaalsContact OG1-OE1 3.04Å; T23-Y147 WeakPolarHBondContact CB-OH 3.27Å; T23-Y147 HydrophobicContact CG2-CE2 4.05Å; T23-Y147 WeakPolarHBondContact CG2-OH 3.31Å; T23-Y163 HydrophobicContact CG2-CE2 4.4Å; T23-L167 HydrophobicContact CG2-CD2 4.34Å
24	P	46.5	Very low	51	Low	78 Å²	78	81.7 Å²	81.7	51%	0.506	43%	0.431	S	S	.	.			trans	-53.5	136.4	171.4	-22.2	32.4	0	0	0	108.7	L26	P24-L26 VanDerWaalsContact C-N 3.28Å; P24-L26 HydrophobicContact CB-CD1 4.02Å; P24-L26 HydrophobicContact CB-CG 4.24Å; P24-L26 PolarHBondContact O-N 2.76Å
25	W	48.5	Very low	53.7	Low	114 Å²	114	80.2 Å²	80.2	43%	0.432	43%	0.428	S	S	.	.			trans	-62.7	89.3	178.8	-71.1	94.6	0	0	0	109.7	T23 C45 L48 Q49 Q146	T23-W25 PolarHBondContact O-N 2.54Å; W25-C45 HydrophobicContact CZ3-CB 4.34Å; W25-L48 HydrophobicContact CH2-CB 3.93Å; W25-L48 HydrophobicContact CZ3-CB 4.46Å; W25-Q49 HydrophobicContact CH2-CB 3.92Å; W25-Q49 HydrophobicContact CZ2-CB 3.91Å; W25-Q49 HydrophobicContact CZ2-CG 4.27Å; W25-Q146 HydrophobicContact CZ3-CG 4.29Å
26	L	46.7	Very low	55.6	Low	114 Å²	114	84.7 Å²	84.7	60%	0.597	44%	0.443	S	S	*	.			trans	-112.8	66.2	-177.3	-76.2	158.1	0	0	0	109.2	P24	P24-L26 VanDerWaalsContact C-N 3.28Å; P24-L26 HydrophobicContact CB-CD1 4.02Å; P24-L26 HydrophobicContact CB-CG 4.24Å; P24-L26 PolarHBondContact O-N 2.76Å
27	R	49.4	Very low	56.9	Low	95 Å²	95	78.4 Å²	78.4	36%	0.358	42%	0.421	S	S	.	.			trans	-114.4	105.3	154	-82.1	-167.8	-172.3	-121.2	0.5	108.8	Q146 V149	R27-Q146 PolarHBondContact NE-O 2.86Å; R27-Q146 VanDerWaalsContact NE-O 3.17Å; R27-Q146 PolarHBondContact NH2-O 3.38Å; R27-V149 VanDerWaalsContact NH2-CG2 3.3Å
28	T	47	Very low	58.4	Low	134 Å²	134	78.7 Å²	78.7	82%	0.822	42%	0.42	S	S	*	.			trans	-72.7	121.3	147.4	58	0	0	0	0	105.6	S30	T28-S30 PolarHBondContact O-N 2.92Å
29	T	50.9	Low	59.8	Low	63 Å²	63	83 Å²	83	39%	0.387	44%	0.441	S	S	.	.			trans	-48.1	135.4	175.3	52.9	0	0	0	0	109.1	V31	T29-V31 PolarHBondContact O-N 2.99Å
30	S	53.3	Low	61.2	Low	54 Å²	54	89.8 Å²	89.8	38%	0.378	46%	0.462	S	S	.	.			trans	-45.7	113.4	173.4	162.1	0	0	0	0	109.5	T28 N32 G33 K38	T28-S30 PolarHBondContact O-N 2.92Å; S30-N32 PolarHBondContact O-N 3.46Å; S30-N32 VanDerWaalsContact O-N 3.08Å; S30-G33 PolarHBondContact O-N 3.26Å; S30-G33 VanDerWaalsContact O-N 3.11Å; S30-G33 PolarHBondContact OG-N 2.99Å; S30-G33 VanDerWaalsContact OG-N 3.09Å; S30-K38 WeakPolarHBondContact O-CE 3.48Å
31	V	56	Low	62.5	Low	120 Å²	120	89.7 Å²	89.7	73%	0.727	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-35	-176.1	178.8	0	0	0	0	109.7	T29 K38	T29-V31 PolarHBondContact O-N 2.99Å; V31-K38 PolarHBondContact O-NZ 2.77Å; V31-K38 VanDerWaalsContact O-NZ 3.15Å
32	N	59.7	Low	63.9	Low	155 Å²	155	94.6 Å²	94.6	83%	0.829	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	13.7	-175.2	-64.5	-19.9	0	0	0	115	S30	S30-N32 PolarHBondContact O-N 3.46Å; S30-N32 VanDerWaalsContact O-N 3.08Å
33	G	66.2	Low	65.7	Low	18 Å²	18	90 Å²	90	19%	0.186	48%	0.478	C	S	.	.			trans	-77.2	146.5	178	0	0	0	0	0	113.6	S30 K38	S30-G33 PolarHBondContact O-N 3.26Å; S30-G33 VanDerWaalsContact O-N 3.11Å; S30-G33 PolarHBondContact OG-N 2.99Å; S30-G33 VanDerWaalsContact OG-N 3.09Å; G33-K38 WeakPolarHBondContact O-CE 3.21Å
34	S	82	Confident	67.4	Low	63 Å²	63	91.2 Å²	91.2	44%	0.441	48%	0.484	S	S	.	.			trans	-56.3	154.5	166.8	79.7	0	0	0	0	110.8	Q36 T37 K38	S34-Q36 PolarHBondContact O-N 3.27Å; S34-Q36 VanDerWaalsContact O-N 3.16Å; S34-Q36 PolarHBondContact OG-N 3.01Å; S34-T37 WeakPolarHBondContact O-CB 3.36Å; S34-T37 PolarHBondContact O-N 3.33Å; S34-T37 PolarHBondContact OG-N 3.41Å; S34-T37 VanDerWaalsContact OG-N 3.09Å; S34-T37 PolarHBondContact OG-OG1 3.15Å; S34-K38 PolarHBondContact O-N 3.42Å
35	L	84.7	Confident	68.9	Low	148 Å²	148	88.9 Å²	88.9	78%	0.775	47%	0.469	S	S	*	.	H	α-helix	trans	-53.8	-36.2	174.3	-179.2	65.3	0	0	0	111.8	K38 L39	L35-K38 PolarHBondContact O-N 3.09Å; L35-L39 WeakPolarHBondContact O-CB 3.43Å; L35-L39 PolarHBondContact O-N 3.05Å
36	Q	79.2	Confident	70.6	Confident	124 Å²	124	85.5 Å²	85.5	58%	0.579	46%	0.461	S	S	*	.	H	α-helix	trans	-64.7	-40.1	177.3	-173.7	179.4	9.9	0	0	112.3	S34 R40	S34-Q36 PolarHBondContact O-N 3.27Å; S34-Q36 VanDerWaalsContact O-N 3.16Å; S34-Q36 PolarHBondContact OG-N 3.01Å; Q36-R40 WeakPolarHBondContact O-CG 3.38Å; Q36-R40 PolarHBondContact O-N 3.27Å
37	T	78.1	Confident	72.4	Confident	57 Å²	57	85.9 Å²	85.9	35%	0.35	46%	0.455	S	S	.	.	H	α-helix	trans	-64.5	-48.9	175.8	-49.5	0	0	0	0	110.3	S34 L39 R40 E41	S34-T37 WeakPolarHBondContact O-CB 3.36Å; S34-T37 PolarHBondContact O-N 3.33Å; S34-T37 PolarHBondContact OG-N 3.41Å; S34-T37 VanDerWaalsContact OG-N 3.09Å; S34-T37 PolarHBondContact OG-OG1 3.15Å; T37-L39 VanDerWaalsContact C-N 3.34Å; T37-L39 PolarHBondContact O-N 3.07Å; T37-R40 WeakPolarHBondContact O-CB 3.43Å; T37-R40 PolarHBondContact O-N 2.91Å; T37-R40 VanDerWaalsContact O-N 3.15Å; T37-E41 WeakPolarHBondContact O-CG 3.38Å; T37-E41 PolarHBondContact O-N 3.36Å
38	K	78.3	Confident	74.1	Confident	67 Å²	67	81.6 Å²	81.6	29%	0.291	44%	0.438	S	S	.	.	H	α-helix	trans	-60.2	-42.6	178.2	-66.6	-178.4	178.1	179.8	0	112.2	S30 V31 G33 S34 L35 R40 E41 E42	S30-K38 WeakPolarHBondContact O-CE 3.48Å; V31-K38 PolarHBondContact O-NZ 2.77Å; V31-K38 VanDerWaalsContact O-NZ 3.15Å; G33-K38 WeakPolarHBondContact O-CE 3.21Å; S34-K38 PolarHBondContact O-N 3.42Å; L35-K38 PolarHBondContact O-N 3.09Å; K38-R40 PolarHBondContact O-N 2.81Å; K38-E41 PolarHBondContact O-N 3.45Å; K38-E42 WeakPolarHBondContact O-CB 3.38Å; K38-E42 PolarHBondContact O-N 3.36Å
39	L	82.8	Confident	75.9	Confident	121 Å²	121	79.9 Å²	79.9	63%	0.634	42%	0.421	S	S	*	.	H	α-helix	trans	-64.1	-39.7	176.8	-177.7	65.2	0	0	0	112.1	L35 T37 A43	L35-L39 WeakPolarHBondContact O-CB 3.43Å; L35-L39 PolarHBondContact O-N 3.05Å; T37-L39 VanDerWaalsContact C-N 3.34Å; T37-L39 PolarHBondContact O-N 3.07Å; L39-A43 WeakPolarHBondContact O-CB 3.46Å; L39-A43 PolarHBondContact O-N 3.24Å
40	R	79.7	Confident	77.6	Confident	174 Å²	174	84.5 Å²	84.5	66%	0.657	43%	0.431	S	S	*	.	H	α-helix	trans	-63.8	-47	175.5	-82.1	179.3	172.4	176.9	-1.7	111.5	Q36 T37 K38 A43 Q44	Q36-R40 WeakPolarHBondContact O-CG 3.38Å; Q36-R40 PolarHBondContact O-N 3.27Å; T37-R40 WeakPolarHBondContact O-CB 3.43Å; T37-R40 PolarHBondContact O-N 2.91Å; T37-R40 VanDerWaalsContact O-N 3.15Å; K38-R40 PolarHBondContact O-N 2.81Å; R40-A43 PolarHBondContact O-N 3.04Å; R40-Q44 VanDerWaalsContact O-CB 3.32Å; R40-Q44 WeakPolarHBondContact O-CB 3.2Å; R40-Q44 PolarHBondContact O-N 3.11Å
41	E	78.1	Confident	79.2	Confident	23 Å²	23	84.8 Å²	84.8	11%	0.107	43%	0.429	C	S	.	.	H	α-helix	trans	-56.9	-51.6	176.3	-71.7	172.6	179.6	0	0	110.7	T37 K38 A43 Q44 C45	T37-E41 WeakPolarHBondContact O-CG 3.38Å; T37-E41 PolarHBondContact O-N 3.36Å; K38-E41 PolarHBondContact O-N 3.45Å; E41-A43 PolarHBondContact O-N 2.9Å; E41-Q44 PolarHBondContact O-N 2.79Å; E41-C45 WeakPolarHBondContact O-CB 3.33Å; E41-C45 PolarHBondContact O-N 3.35Å; E41-C45 PolarHBondContact O-SG 3.38Å
42	E	81	Confident	80.6	Confident	107 Å²	107	80 Å²	80	50%	0.5	40%	0.401	S	S	.	.	H	α-helix	trans	-63.5	-42.1	-179.1	-171	59.7	-148	0	0	112.6	K38 Q44 C45 T46	K38-E42 WeakPolarHBondContact O-CB 3.38Å; K38-E42 PolarHBondContact O-N 3.36Å; E42-Q44 VanDerWaalsContact C-N 3.34Å; E42-Q44 PolarHBondContact O-N 3.44Å; E42-C45 PolarHBondContact O-N 3.19Å; E42-T46 WeakPolarHBondContact O-CB 3.31Å; E42-T46 PolarHBondContact O-N 3.33Å; E42-T46 PolarHBondContact O-OG1 3.21Å
43	A	83.7	Confident	81.9	Confident	56 Å²	56	77 Å²	77	46%	0.463	38%	0.384	S	S	.	.	H	α-helix	trans	-64.4	-39.2	176.4	0	0	0	0	0	111.8	L39 R40 E41 R47	L39-A43 WeakPolarHBondContact O-CB 3.46Å; L39-A43 PolarHBondContact O-N 3.24Å; R40-A43 PolarHBondContact O-N 3.04Å; E41-A43 PolarHBondContact O-N 2.9Å; A43-R47 VanDerWaalsContact O-CB 3.3Å; A43-R47 WeakPolarHBondContact O-CB 3.45Å; A43-R47 PolarHBondContact O-N 3.28Å
44	Q	82.7	Confident	82.9	Confident	31 Å²	31	83.9 Å²	83.9	15%	0.145	41%	0.405	C	S	.	.	H	α-helix	trans	-65.8	-46.9	175.1	178	170.3	-3.7	0	0	111.3	R40 E41 E42 T46 R47 L48 A145 D148	R40-Q44 VanDerWaalsContact O-CB 3.32Å; R40-Q44 WeakPolarHBondContact O-CB 3.2Å; R40-Q44 PolarHBondContact O-N 3.11Å; E41-Q44 PolarHBondContact O-N 2.79Å; E42-Q44 VanDerWaalsContact C-N 3.34Å; E42-Q44 PolarHBondContact O-N 3.44Å; Q44-T46 PolarHBondContact O-N 3.01Å; Q44-R47 WeakPolarHBondContact O-CB 3.41Å; Q44-R47 PolarHBondContact O-N 3.22Å; Q44-L48 HydrophobicContact CG-CD1 4.02Å; Q44-L48 HydrophobicContact CG-CG 4.46Å; Q44-L48 WeakPolarHBondContact O-CG 3.43Å; Q44-L48 PolarHBondContact O-N 3.04Å; Q44-A145 PolarHBondContact NE2-O 3.11Å; Q44-D148 PolarHBondContact NE2-O 2.99Å
45	C	79.5	Confident	83.2	Confident	29 Å²	29	82.4 Å²	82.4	20%	0.196	39%	0.391	C	S	.	.	H	α-helix	trans	-56.6	-51.6	175.4	-72.5	0	0	0	0	111.3	W25 E41 E42 R47 L48 Q49	W25-C45 HydrophobicContact CZ3-CB 4.34Å; E41-C45 WeakPolarHBondContact O-CB 3.33Å; E41-C45 PolarHBondContact O-N 3.35Å; E41-C45 PolarHBondContact O-SG 3.38Å; E42-C45 PolarHBondContact O-N 3.19Å; C45-R47 VanDerWaalsContact C-N 3.29Å; C45-R47 PolarHBondContact O-N 3.03Å; C45-L48 PolarHBondContact O-N 2.69Å; C45-Q49 WeakPolarHBondContact O-CB 3.2Å; C45-Q49 PolarHBondContact O-N 3.13Å
46	T	82.6	Confident	83.5	Confident	42 Å²	42	75.4 Å²	75.4	26%	0.258	36%	0.355	S	S	.	.	H	α-helix	trans	-58.1	-41.7	177.3	-62.3	0	0	0	0	111.7	E42 Q44 R50	E42-T46 WeakPolarHBondContact O-CB 3.31Å; E42-T46 PolarHBondContact O-N 3.33Å; E42-T46 PolarHBondContact O-OG1 3.21Å; Q44-T46 PolarHBondContact O-N 3.01Å; T46-R50 VanDerWaalsContact O-CG 3.32Å; T46-R50 WeakPolarHBondContact O-CG 3.26Å; T46-R50 PolarHBondContact O-N 3.19Å; T46-R50 VanDerWaalsContact O-N 3.07Å
47	R	85.9	Confident	83.8	Confident	123 Å²	123	71.9 Å²	71.9	46%	0.464	34%	0.34	S	S	.	.	H	α-helix	trans	-64.1	-46	177.8	-176.2	-173.1	68.2	80.9	-1	111.5	A43 Q44 C45 R50 L51	A43-R47 VanDerWaalsContact O-CB 3.3Å; A43-R47 WeakPolarHBondContact O-CB 3.45Å; A43-R47 PolarHBondContact O-N 3.28Å; Q44-R47 WeakPolarHBondContact O-CB 3.41Å; Q44-R47 PolarHBondContact O-N 3.22Å; C45-R47 VanDerWaalsContact C-N 3.29Å; C45-R47 PolarHBondContact O-N 3.03Å; R47-R50 PolarHBondContact O-N 3.11Å; R47-L51 HydrophobicContact CG-CD1 4.5Å; R47-L51 WeakPolarHBondContact O-CG 3.37Å; R47-L51 PolarHBondContact O-N 3.32Å; R47-L51 VanDerWaalsContact O-N 3.09Å
48	L	85.1	Confident	84.2	Confident	4 Å²	4	71.5 Å²	71.5	2%	0.021	34%	0.337	C	S	.	.	H	α-helix	trans	-66.4	-38.4	179.8	-70.1	174.4	0	0	0	111.6	W25 Q44 C45 L51 S52 I142 A145 Q146	W25-L48 HydrophobicContact CH2-CB 3.93Å; W25-L48 HydrophobicContact CZ3-CB 4.46Å; Q44-L48 HydrophobicContact CG-CD1 4.02Å; Q44-L48 HydrophobicContact CG-CG 4.46Å; Q44-L48 WeakPolarHBondContact O-CG 3.43Å; Q44-L48 PolarHBondContact O-N 3.04Å; C45-L48 PolarHBondContact O-N 2.69Å; L48-L51 PolarHBondContact O-N 3.19Å; L48-S52 WeakPolarHBondContact O-CB 3.29Å; L48-S52 PolarHBondContact O-N 2.85Å; L48-I142 HydrophobicContact CB-CG2 4.44Å; L48-I142 HydrophobicContact CD2-CG2 4.44Å; L48-A145 HydrophobicContact CD1-CB 4.22Å; L48-A145 WeakPolarHBondContact CD1-O 3.16Å; L48-A145 HydrophobicContact CD2-CB 3.8Å; L48-Q146 HydrophobicContact CD1-CB 4.5Å; L48-Q146 HydrophobicContact CD1-CG 3.94Å
49	Q	84	Confident	84.7	Confident	98 Å²	98	73.3 Å²	73.3	46%	0.458	35%	0.35	S	S	.	.	H	α-helix	trans	-61.7	-48.6	175.2	-172.4	176.2	7.2	0	0	111.1	W25 C45 L51 S52 D53	W25-Q49 HydrophobicContact CH2-CB 3.92Å; W25-Q49 HydrophobicContact CZ2-CB 3.91Å; W25-Q49 HydrophobicContact CZ2-CG 4.27Å; C45-Q49 WeakPolarHBondContact O-CB 3.2Å; C45-Q49 PolarHBondContact O-N 3.13Å; Q49-L51 PolarHBondContact O-N 3.44Å; Q49-S52 WeakPolarHBondContact O-CA 3.47Å; Q49-S52 WeakPolarHBondContact O-CB 3.42Å; Q49-S52 PolarHBondContact O-N 3.46Å; Q49-D53 VanDerWaalsContact O-CG 3.24Å; Q49-D53 PolarHBondContact O-N 3.5Å
50	R	86.6	Confident	85.2	Confident	160 Å²	160	69.6 Å²	69.6	60%	0.604	33%	0.329	S	S	*	.	H	α-helix	trans	-59.6	-33.8	175.4	-71.8	174.6	-174	162.2	4.4	113.3	T46 R47 R54	T46-R50 VanDerWaalsContact O-CG 3.32Å; T46-R50 WeakPolarHBondContact O-CG 3.26Å; T46-R50 PolarHBondContact O-N 3.19Å; T46-R50 VanDerWaalsContact O-N 3.07Å; R47-R50 PolarHBondContact O-N 3.11Å; R50-R54 WeakPolarHBondContact O-CG 3.44Å
51	L	86.6	Confident	85.8	Confident	61 Å²	61	61.3 Å²	61.3	32%	0.319	30%	0.298	S	S	.	.	H	α-helix	trans	-71.7	-40.6	174.7	-72.6	174	0	0	0	111.1	R47 L48 Q49 R54 M55 I142	R47-L51 HydrophobicContact CG-CD1 4.5Å; R47-L51 WeakPolarHBondContact O-CG 3.37Å; R47-L51 PolarHBondContact O-N 3.32Å; R47-L51 VanDerWaalsContact O-N 3.09Å; L48-L51 PolarHBondContact O-N 3.19Å; Q49-L51 PolarHBondContact O-N 3.44Å; L51-R54 PolarHBondContact O-N 3.34Å; L51-M55 WeakPolarHBondContact O-CG 3.3Å; L51-I142 HydrophobicContact CB-CD1 3.98Å; L51-I142 HydrophobicContact CB-CG1 4.35Å
52	S	86.3	Confident	86.5	Confident	20 Å²	20	64.1 Å²	64.1	14%	0.14	31%	0.31	C	S	.	.	H	α-helix	trans	-61.2	-44.9	175.6	-170.4	0	0	0	0	111.6	L48 Q49 R54 M55	L48-S52 WeakPolarHBondContact O-CB 3.29Å; L48-S52 PolarHBondContact O-N 2.85Å; Q49-S52 WeakPolarHBondContact O-CA 3.47Å; Q49-S52 WeakPolarHBondContact O-CB 3.42Å; Q49-S52 PolarHBondContact O-N 3.46Å; S52-R54 PolarHBondContact O-N 3.17Å; S52-M55 WeakPolarHBondContact O-CB 3.14Å; S52-M55 PolarHBondContact O-N 3.48Å
53	D	87.2	Confident	87.1	Confident	90 Å²	90	64.6 Å²	64.6	48%	0.481	31%	0.312	S	S	.	.	H	α-helix	trans	-63.8	-24.2	-179.3	-65	-23.8	0	0	0	113.3	Q49 M55 K100	Q49-D53 VanDerWaalsContact O-CG 3.24Å; Q49-D53 PolarHBondContact O-N 3.5Å; D53-M55 VanDerWaalsContact C-N 3.33Å; D53-K100 WeakPolarHBondContact O-CE 3.43Å; D53-K100 PolarHBondContact O-NZ 3.48Å
54	R	87.6	Confident	87.6	Confident	164 Å²	164	62.1 Å²	62.1	62%	0.619	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-18.4	175.4	-70.9	172.6	-176	-167.8	0.1	113	R50 L51 S52	R50-R54 WeakPolarHBondContact O-CG 3.44Å; L51-R54 PolarHBondContact O-N 3.34Å; S52-R54 PolarHBondContact O-N 3.17Å
55	M	87.3	Confident	88.1	Confident	31 Å²	31	61.2 Å²	61.2	15%	0.153	29%	0.287	C	S	.	.	S	Bend	trans	-88.6	153.8	-179	-61.7	-64.5	92.7	0	0	110.8	L51 S52 D53 K100 Y138 I142	L51-M55 WeakPolarHBondContact O-CG 3.3Å; S52-M55 WeakPolarHBondContact O-CB 3.14Å; S52-M55 PolarHBondContact O-N 3.48Å; D53-M55 VanDerWaalsContact C-N 3.33Å; M55-K100 WeakPolarHBondContact O-CD 3.44Å; M55-K100 PolarHBondContact O-NZ 3.43Å; M55-K100 VanDerWaalsContact O-NZ 3.16Å; M55-Y138 HydrophobicContact SD-CD2 3.67Å; M55-Y138 HydrophobicContact SD-CG 3.85Å; M55-I142 HydrophobicContact CG-CD1 4.15Å
56	M	91	Very high	88.8	Confident	2 Å²	2	65.7 Å²	65.7	1%	0.01	31%	0.305	C	S	.	.			trans	-65	135	170.3	-66.4	179	-58.2	0	0	109.1	E60 L61 T64 K100 A101 F104 I131 T135 Q139	M56-E60 VanDerWaalsContact CA-OE2 3.26Å; M56-E60 WeakPolarHBondContact CA-OE2 3.25Å; M56-E60 HydrophobicContact CB-CB 3.99Å; M56-E60 HydrophobicContact CG-CB 4.27Å; M56-L61 HydrophobicContact CB-CB 4.5Å; M56-L61 HydrophobicContact CE-CD1 3.95Å; M56-T64 HydrophobicContact SD-CG2 4.4Å; M56-K100 HydrophobicContact CG-CB 3.8Å; M56-A101 VanDerWaalsContact SD-CA 3.51Å; M56-A101 HydrophobicContact SD-CB 3.53Å; M56-A101 VanDerWaalsContact SD-CB 3.53Å; M56-F104 HydrophobicContact CE-CD2 3.97Å; M56-F104 HydrophobicContact CE-CE2 3.41Å; M56-F104 VanDerWaalsContact CE-CE2 3.41Å; M56-F104 HydrophobicContact CE-CZ 4Å; M56-F104 HydrophobicContact SD-CE2 4.46Å; M56-I131 HydrophobicContact CE-CG2 3.67Å; M56-T135 WeakPolarHBondContact CE-OG1 3.48Å; M56-Q139 PolarHBondContact O-NE2 2.68Å
57	D	86.2	Confident	89.2	Confident	49 Å²	49	64.9 Å²	64.9	26%	0.262	30%	0.3	S	S	.	.			trans	-76.1	-177	162.9	65.7	42.1	0	0	0	111.3	D59 E60 L61	D57-D59 VanDerWaalsContact C-N 3.3Å; D57-D59 PolarHBondContact O-N 2.83Å; D57-D59 PolarHBondContact OD1-N 2.89Å; D57-E60 PolarHBondContact N-OE2 3.25Å; D57-E60 WeakPolarHBondContact OD1-CB 3.44Å; D57-E60 WeakPolarHBondContact OD1-CG 3.18Å; D57-E60 PolarHBondContact OD1-N 2.96Å; D57-L61 WeakPolarHBondContact O-CB 3.25Å; D57-L61 PolarHBondContact O-N 3.29Å
58	V	86.2	Confident	89.4	Confident	49 Å²	49	59 Å²	59	30%	0.297	28%	0.278	S	S	.	.	H	α-helix	trans	-65.9	-35.8	-175.7	179.9	0	0	0	0	111.4	I20 K62	I20-V58 HydrophobicContact CB-CG2 3.9Å; I20-V58 HydrophobicContact CD1-CG2 3.93Å; I20-V58 HydrophobicContact CG1-CG2 4.5Å; I20-V58 HydrophobicContact CG2-CG2 3.9Å; V58-K62 HydrophobicContact CG1-CD 4.4Å; V58-K62 VanDerWaalsContact O-CG 3.28Å; V58-K62 WeakPolarHBondContact O-CG 3.25Å; V58-K62 PolarHBondContact O-N 2.83Å
59	D	89.6	Confident	89.6	Confident	106 Å²	106	62.9 Å²	62.9	57%	0.567	30%	0.296	S	S	*	.	H	α-helix	trans	-81	-40.5	-176.3	-63	-35.5	0	0	0	110.8	D57 L61 K62 E63	D57-D59 VanDerWaalsContact C-N 3.3Å; D57-D59 PolarHBondContact O-N 2.83Å; D57-D59 PolarHBondContact OD1-N 2.89Å; D59-L61 VanDerWaalsContact C-N 3.28Å; D59-L61 PolarHBondContact O-N 3.02Å; D59-K62 WeakPolarHBondContact O-CB 3.33Å; D59-K62 PolarHBondContact O-N 2.83Å; D59-K62 IonicContact OD1-NZ 3.65Å; D59-E63 WeakPolarHBondContact O-CB 3.4Å; D59-E63 PolarHBondContact O-N 3.16Å
60	E	92	Very high	89.6	Confident	42 Å²	42	60.9 Å²	60.9	20%	0.196	29%	0.293	C	S	.	.	H	α-helix	trans	-60.1	-38.3	169.6	-70	176	135.3	0	0	111.5	M56 D57 T64 K100	M56-E60 VanDerWaalsContact CA-OE2 3.26Å; M56-E60 WeakPolarHBondContact CA-OE2 3.25Å; M56-E60 HydrophobicContact CB-CB 3.99Å; M56-E60 HydrophobicContact CG-CB 4.27Å; D57-E60 PolarHBondContact N-OE2 3.25Å; D57-E60 WeakPolarHBondContact OD1-CB 3.44Å; D57-E60 WeakPolarHBondContact OD1-CG 3.18Å; D57-E60 PolarHBondContact OD1-N 2.96Å; E60-T64 WeakPolarHBondContact O-CB 3.18Å; E60-T64 PolarHBondContact O-N 2.83Å; E60-T64 PolarHBondContact O-OG1 3.02Å; E60-K100 VanDerWaalsContact CD-NZ 3.28Å; E60-K100 WeakPolarHBondContact OE1-CD 3.31Å; E60-K100 WeakPolarHBondContact OE1-CE 3.35Å; E60-K100 IonicContact OE1-NZ 2.76Å; E60-K100 PolarHBondContact OE1-NZ 2.89Å; E60-K100 WeakPolarHBondContact OE2-CD 3.5Å; E60-K100 IonicContact OE2-NZ 3.77Å; E60-K100 PolarHBondContact OE2-NZ 2.75Å
61	L	93.1	Very high	89.2	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-65.3	-48.7	174.2	177.2	63.5	0	0	0	110.7	L17 I20 M56 D57 D59 E63 T64 I65 I131 M132 T135	L17-L61 HydrophobicContact CD2-CD2 3.98Å; L17-L61 HydrophobicContact CD2-CG 4.12Å; I20-L61 HydrophobicContact CD1-CD2 3.87Å; M56-L61 HydrophobicContact CB-CB 4.5Å; M56-L61 HydrophobicContact CE-CD1 3.95Å; D57-L61 WeakPolarHBondContact O-CB 3.25Å; D57-L61 PolarHBondContact O-N 3.29Å; D59-L61 VanDerWaalsContact C-N 3.28Å; D59-L61 PolarHBondContact O-N 3.02Å; L61-E63 PolarHBondContact O-N 2.93Å; L61-T64 WeakPolarHBondContact O-CB 3.33Å; L61-T64 PolarHBondContact O-N 3.44Å; L61-I65 HydrophobicContact CD1-CD1 4.49Å; L61-I65 HydrophobicContact CD1-CG1 4.22Å; L61-I65 WeakPolarHBondContact O-CG1 3.38Å; L61-I65 PolarHBondContact O-N 2.93Å; L61-I131 HydrophobicContact CD1-CG2 3.86Å; L61-M132 HydrophobicContact CD1-CG 4.36Å; L61-T135 HydrophobicContact CD2-CG2 4.25Å
62	K	92.5	Very high	88.4	Confident	82 Å²	82	53.5 Å²	53.5	36%	0.357	27%	0.266	S	S	.	.	H	α-helix	trans	-55.4	-49.4	176.1	-79.9	168	-174.9	170	0	112	L17 V58 D59 T64 I65 Q66	L17-K62 HydrophobicContact CD1-CD 3.9Å; L17-K62 HydrophobicContact CD1-CG 3.39Å; L17-K62 HydrophobicContact CD2-CG 4.14Å; L17-K62 HydrophobicContact CG-CG 4.39Å; V58-K62 HydrophobicContact CG1-CD 4.4Å; V58-K62 VanDerWaalsContact O-CG 3.28Å; V58-K62 WeakPolarHBondContact O-CG 3.25Å; V58-K62 PolarHBondContact O-N 2.83Å; D59-K62 WeakPolarHBondContact O-CB 3.33Å; D59-K62 PolarHBondContact O-N 2.83Å; D59-K62 IonicContact OD1-NZ 3.65Å; K62-T64 VanDerWaalsContact C-N 3.3Å; K62-T64 PolarHBondContact O-N 3.4Å; K62-I65 PolarHBondContact O-N 3.37Å; K62-Q66 WeakPolarHBondContact O-CG 3.34Å; K62-Q66 PolarHBondContact O-N 3.17Å
63	E	94.1	Very high	87.1	Confident	118 Å²	118	57.7 Å²	57.7	55%	0.551	30%	0.296	S	S	*	.	H	α-helix	trans	-60.6	-41.4	178.6	-174.7	-176.3	-173.5	0	0	111.2	D59 L61 Q66 T67	D59-E63 WeakPolarHBondContact O-CB 3.4Å; D59-E63 PolarHBondContact O-N 3.16Å; L61-E63 PolarHBondContact O-N 2.93Å; E63-Q66 PolarHBondContact O-N 2.95Å; E63-T67 WeakPolarHBondContact O-CB 3.46Å; E63-T67 PolarHBondContact O-N 3.4Å; E63-T67 PolarHBondContact O-OG1 2.9Å
64	T	94	Very high	85.8	Confident	3 Å²	3	58.5 Å²	58.5	2%	0.018	30%	0.304	C	S	.	.	H	α-helix	trans	-61.5	-46.5	176	-60.9	0	0	0	0	111.2	M56 E60 L61 K62 T67 I68 V97 A101	M56-T64 HydrophobicContact SD-CG2 4.4Å; E60-T64 WeakPolarHBondContact O-CB 3.18Å; E60-T64 PolarHBondContact O-N 2.83Å; E60-T64 PolarHBondContact O-OG1 3.02Å; L61-T64 WeakPolarHBondContact O-CB 3.33Å; L61-T64 PolarHBondContact O-N 3.44Å; K62-T64 VanDerWaalsContact C-N 3.3Å; K62-T64 PolarHBondContact O-N 3.4Å; T64-T67 PolarHBondContact O-N 3.02Å; T64-I68 HydrophobicContact CG2-CD1 4.12Å; T64-I68 VanDerWaalsContact O-CG1 3.27Å; T64-I68 WeakPolarHBondContact O-CG1 3.46Å; T64-I68 PolarHBondContact O-N 3.2Å; T64-V97 HydrophobicContact CG2-CG1 4.21Å; T64-A101 HydrophobicContact CG2-CB 3.76Å; T64-A101 WeakPolarHBondContact OG1-CB 3.27Å
65	I	93.5	Very high	84.3	Confident	12 Å²	12	53.3 Å²	53.3	6%	0.062	29%	0.291	C	S	.	.	H	α-helix	trans	-63.8	-44	178	-63.4	-57.5	0	0	0	111.1	L61 K62 T67 I68 Q69 M128 M132	L61-I65 HydrophobicContact CD1-CD1 4.49Å; L61-I65 HydrophobicContact CD1-CG1 4.22Å; L61-I65 WeakPolarHBondContact O-CG1 3.38Å; L61-I65 PolarHBondContact O-N 2.93Å; K62-I65 PolarHBondContact O-N 3.37Å; I65-T67 VanDerWaalsContact C-N 3.32Å; I65-T67 PolarHBondContact O-N 3.26Å; I65-I68 PolarHBondContact O-N 3.19Å; I65-I68 VanDerWaalsContact O-N 3.17Å; I65-Q69 HydrophobicContact CG2-CG 4.5Å; I65-Q69 WeakPolarHBondContact O-CG 3.34Å; I65-Q69 PolarHBondContact O-N 3.21Å; I65-M128 HydrophobicContact CD1-CB 3.86Å; I65-M128 HydrophobicContact CD1-CG 3.86Å; I65-M128 HydrophobicContact CG2-CG 4.47Å; I65-M128 HydrophobicContact CG2-SD 3.85Å; I65-M132 HydrophobicContact CD1-CG 3.96Å; I65-M132 HydrophobicContact CD1-SD 4.26Å; I65-M132 HydrophobicContact CG1-CG 4.28Å; I65-M132 HydrophobicContact CG1-SD 4.47Å
66	Q	92.5	Very high	82.6	Confident	123 Å²	123	61.7 Å²	61.7	58%	0.575	33%	0.329	S	S	*	.	H	α-helix	trans	-62.3	-37.6	175.8	-72.5	175	-5.3	0	0	112.6	K62 E63 I68 Q69 S70	K62-Q66 WeakPolarHBondContact O-CG 3.34Å; K62-Q66 PolarHBondContact O-N 3.17Å; E63-Q66 PolarHBondContact O-N 2.95Å; Q66-I68 VanDerWaalsContact C-N 3.32Å; Q66-I68 PolarHBondContact O-N 3.15Å; Q66-Q69 PolarHBondContact O-N 3.11Å; Q66-S70 PolarHBondContact O-N 3.04Å; Q66-S70 PolarHBondContact O-OG 2.87Å
67	T	91.8	Very high	80.7	Confident	25 Å²	25	63.8 Å²	63.8	15%	0.153	34%	0.344	C	S	.	.	H	α-helix	trans	-64.6	-38.1	175.6	-58.6	0	0	0	0	111.4	E63 T64 I65 S70 L93 M96 V97	E63-T67 WeakPolarHBondContact O-CB 3.46Å; E63-T67 PolarHBondContact O-N 3.4Å; E63-T67 PolarHBondContact O-OG1 2.9Å; T64-T67 PolarHBondContact O-N 3.02Å; I65-T67 VanDerWaalsContact C-N 3.32Å; I65-T67 PolarHBondContact O-N 3.26Å; T67-S70 PolarHBondContact O-OG 3.49Å; T67-S70 VanDerWaalsContact O-OG 3.06Å; T67-L93 HydrophobicContact CG2-CD1 4.5Å; T67-M96 HydrophobicContact CG2-CB 4.02Å; T67-V97 HydrophobicContact CG2-CG1 4.01Å
68	I	91.1	Very high	79.2	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-69.1	-43.2	176	-64.2	166.3	0	0	0	110.5	T64 I65 Q66 H71 L93 F105 L124 M128 I131	T64-I68 HydrophobicContact CG2-CD1 4.12Å; T64-I68 VanDerWaalsContact O-CG1 3.27Å; T64-I68 WeakPolarHBondContact O-CG1 3.46Å; T64-I68 PolarHBondContact O-N 3.2Å; I65-I68 PolarHBondContact O-N 3.19Å; I65-I68 VanDerWaalsContact O-N 3.17Å; Q66-I68 VanDerWaalsContact C-N 3.32Å; Q66-I68 PolarHBondContact O-N 3.15Å; I68-H71 WeakPolarHBondContact O-CB 3.37Å; I68-H71 PolarHBondContact O-N 3.33Å; I68-L93 HydrophobicContact CG1-CD2 4.13Å; I68-L93 HydrophobicContact CG2-CD2 4.29Å; I68-F105 HydrophobicContact CD1-CZ 4.13Å; I68-F105 HydrophobicContact CG1-CZ 4.34Å; I68-L124 HydrophobicContact CG2-CB 4.31Å; I68-L124 HydrophobicContact CG2-CD2 3.88Å; I68-M128 HydrophobicContact CB-CG 4.08Å; I68-M128 HydrophobicContact CB-SD 4.25Å; I68-M128 HydrophobicContact CD1-CG 4.11Å; I68-M128 HydrophobicContact CG2-CG 3.65Å; I68-M128 HydrophobicContact CG2-SD 3.96Å; I68-I131 HydrophobicContact CD1-CD1 3.61Å
69	Q	88	Confident	77.8	Confident	85 Å²	85	71.9 Å²	71.9	40%	0.397	39%	0.387	S	S	.	.	H	α-helix	trans	-64.2	-39.5	178.3	-71.5	173.9	-24.5	0	0	112.7	I65 Q66 H71 V72 M128	I65-Q69 HydrophobicContact CG2-CG 4.5Å; I65-Q69 WeakPolarHBondContact O-CG 3.34Å; I65-Q69 PolarHBondContact O-N 3.21Å; Q66-Q69 PolarHBondContact O-N 3.11Å; Q69-H71 PolarHBondContact O-N 2.86Å; Q69-V72 WeakPolarHBondContact O-CB 3.46Å; Q69-V72 WeakPolarHBondContact O-CG2 3.45Å; Q69-V72 PolarHBondContact O-N 2.62Å; Q69-V72 VanDerWaalsContact O-N 3.09Å; Q69-M128 HydrophobicContact CG-CE 4.2Å; Q69-M128 HydrophobicContact CG-SD 3.56Å; Q69-M128 VanDerWaalsContact CG-SD 3.56Å
70	S	85	Confident	76.2	Confident	57 Å²	57	74.6 Å²	74.6	40%	0.399	40%	0.397	S	S	.	.	H	α-helix	trans	-65.8	-23.5	179.9	67.5	0	0	0	0	113.4	Q66 T67 V72 S73 T74	Q66-S70 PolarHBondContact O-N 3.04Å; Q66-S70 PolarHBondContact O-OG 2.87Å; T67-S70 PolarHBondContact O-OG 3.49Å; T67-S70 VanDerWaalsContact O-OG 3.06Å; S70-V72 VanDerWaalsContact C-N 3.25Å; S70-V72 PolarHBondContact O-N 3.15Å; S70-S73 PolarHBondContact O-N 3.47Å; S70-T74 PolarHBondContact O-N 3.19Å
71	H	78.4	Confident	74.5	Confident	30 Å²	30	77.4 Å²	77.4	14%	0.139	41%	0.41	C	S	.	.	H	α-helix	trans	-63.6	-31.9	173.6	-162.5	67.5	0	0	0	112.6	I68 Q69 T74 T75 L93	I68-H71 WeakPolarHBondContact O-CB 3.37Å; I68-H71 PolarHBondContact O-N 3.33Å; Q69-H71 PolarHBondContact O-N 2.86Å; H71-T74 PolarHBondContact O-OG1 3.38Å; H71-T74 VanDerWaalsContact O-OG1 3.07Å; H71-T75 PolarHBondContact O-OG1 3.2Å; H71-L93 HydrophobicContact CB-CD1 4.25Å
72	V	68.8	Low	73.2	Confident	35 Å²	35	79.3 Å²	79.3	21%	0.212	42%	0.42	C	S	.	.	H	α-helix	trans	-62.7	-47.7	174.4	-176.1	0	0	0	0	109.7	Q69 S70 T74 L82 L124	Q69-V72 WeakPolarHBondContact O-CB 3.46Å; Q69-V72 WeakPolarHBondContact O-CG2 3.45Å; Q69-V72 PolarHBondContact O-N 2.62Å; Q69-V72 VanDerWaalsContact O-N 3.09Å; S70-V72 VanDerWaalsContact C-N 3.25Å; S70-V72 PolarHBondContact O-N 3.15Å; V72-T74 VanDerWaalsContact C-N 3.3Å; V72-T74 PolarHBondContact O-N 3.07Å; V72-L82 HydrophobicContact CG1-CB 3.74Å; V72-L82 WeakPolarHBondContact O-CD2 3.4Å; V72-L124 HydrophobicContact CG2-CD1 3.46Å; V72-L124 VanDerWaalsContact CG2-CD1 3.46Å
73	S	58.6	Low	72.9	Confident	109 Å²	109	77.4 Å²	77.4	76%	0.762	42%	0.415	S	S	*	.	H	α-helix	trans	-69.8	-22.1	-173	-52.4	0	0	0	0	114.5	S70	S70-S73 PolarHBondContact O-N 3.47Å
74	T	59.9	Low	72.7	Confident	107 Å²	107	76.2 Å²	76.2	66%	0.656	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-9.6	-176.9	46.7	0	0	0	0	115.1	S70 H71 V72	S70-T74 PolarHBondContact O-N 3.19Å; H71-T74 PolarHBondContact O-OG1 3.38Å; H71-T74 VanDerWaalsContact O-OG1 3.07Å; V72-T74 VanDerWaalsContact C-N 3.3Å; V72-T74 PolarHBondContact O-N 3.07Å
75	T	56.4	Low	72.6	Confident	55 Å²	55	76.1 Å²	76.1	34%	0.337	41%	0.405	S	S	.	.			trans	-103.3	113.3	-171.9	-46	0	0	0	0	109.6	H71 S77 L82	H71-T75 PolarHBondContact O-OG1 3.2Å; T75-S77 PolarHBondContact O-N 3.33Å; T75-L82 HydrophobicContact CG2-CD2 4.5Å; T75-L82 WeakPolarHBondContact O-CD2 3.25Å
76	E	52.3	Low	72.6	Confident	206 Å²	206	79 Å²	79	96%	0.963	42%	0.421	S	S	*	.			trans	-79.4	46.7	-177.8	-65.7	-173.8	162.8	0	0	113.8
77	S	50.8	Low	72.6	Confident	47 Å²	47	77.4 Å²	77.4	33%	0.329	41%	0.41	S	S	.	.	S	Bend	trans	-110.7	155.6	178	57.3	0	0	0	0	112.1	T75 L82	T75-S77 PolarHBondContact O-N 3.33Å; S77-L82 WeakPolarHBondContact O-CG 3.47Å
78	S	55.3	Low	72.7	Confident	91 Å²	91	78 Å²	78	64%	0.636	42%	0.421	S	S	*	.			trans	-37.7	138.8	178.4	-53	0	0	0	0	113.2	E80 H81	S78-E80 PolarHBondContact O-N 2.95Å; S78-H81 WeakPolarHBondContact O-CB 3.33Å; S78-H81 PolarHBondContact O-N 2.86Å
79	E	56.7	Low	72.8	Confident	176 Å²	176	80.5 Å²	80.5	82%	0.822	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-46.8	-37	-169.1	-68.4	-176.9	160	0	0	115.1	H81 L82	E79-H81 PolarHBondContact O-N 3.48Å; E79-L82 PolarHBondContact O-N 3.49Å
80	E	55.5	Low	73.1	Confident	164 Å²	164	76.6 Å²	76.6	77%	0.766	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-69.6	-27.1	177.2	-68.2	-175.1	167.9	0	0	114.2	S78 T83 Y84	S78-E80 PolarHBondContact O-N 2.95Å; E80-T83 PolarHBondContact O-OG1 3.42Å; E80-Y84 VanDerWaalsContact O-CD2 3.31Å; E80-Y84 WeakPolarHBondContact O-CD2 3.43Å
81	H	57	Low	73.6	Confident	101 Å²	101	78.9 Å²	78.9	47%	0.468	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-81.5	-16.4	179.8	-77.4	-93.2	0	0	0	113.3	S78 E79 T83 R121	S78-H81 WeakPolarHBondContact O-CB 3.33Å; S78-H81 PolarHBondContact O-N 2.86Å; E79-H81 PolarHBondContact O-N 3.48Å; H81-T83 VanDerWaalsContact C-N 3.3Å; H81-T83 PolarHBondContact O-N 2.87Å; H81-R121 PolarHBondContact ND1-NH1 3.13Å
82	L	65.6	Low	74.3	Confident	40 Å²	40	83.9 Å²	83.9	21%	0.209	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-24	-175	-74.4	174.9	0	0	0	114.1	V72 T75 S77 E79	V72-L82 HydrophobicContact CG1-CB 3.74Å; V72-L82 WeakPolarHBondContact O-CD2 3.4Å; T75-L82 HydrophobicContact CG2-CD2 4.5Å; T75-L82 WeakPolarHBondContact O-CD2 3.25Å; S77-L82 WeakPolarHBondContact O-CG 3.47Å; E79-L82 PolarHBondContact O-N 3.49Å
83	T	85.1	Confident	75.4	Confident	41 Å²	41	82.2 Å²	82.2	25%	0.252	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-2.6	-174.1	52.8	0	0	0	0	112.8	E80 H81 S123 L124	E80-T83 PolarHBondContact O-OG1 3.42Å; H81-T83 VanDerWaalsContact C-N 3.3Å; H81-T83 PolarHBondContact O-N 2.87Å; T83-S123 CarbonylContact O-C 3.55Å; T83-S123 WeakPolarHBondContact O-CA 3.33Å; T83-L124 WeakPolarHBondContact O-CB 3.12Å; T83-L124 WeakPolarHBondContact O-CG 3.23Å; T83-L124 PolarHBondContact O-N 3.49Å
84	Y	90.2	Very high	77.1	Confident	93 Å²	93	77.8 Å²	77.8	37%	0.365	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	139.7	-176.5	-69.5	-90.1	0	0	0	112.4	E80 R121 I122	E80-Y84 VanDerWaalsContact O-CD2 3.31Å; E80-Y84 WeakPolarHBondContact O-CD2 3.43Å; Y84-R121 HydrophobicContact CD1-CB 4.4Å; Y84-I122 VanDerWaalsContact CA-O 3.3Å; Y84-I122 WeakPolarHBondContact CA-O 3.38Å
85	I	91.9	Very high	78.8	Confident	2 Å²	2	79.9 Å²	79.9	1%	0.01	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	137.4	176.6	54.1	164.4	0	0	0	112.5	Q89 F90 L93 Y110 R121 I122 L124 L127	I85-Q89 HydrophobicContact CB-CB 3.86Å; I85-Q89 HydrophobicContact CG2-CB 4.01Å; I85-F90 HydrophobicContact CD1-CB 3.97Å; I85-F90 HydrophobicContact CD1-CD2 3.93Å; I85-F90 HydrophobicContact CD1-CG 4.47Å; I85-L93 HydrophobicContact CD1-CD2 4.18Å; I85-Y110 PolarHBondContact O-OH 3.48Å; I85-Y110 VanDerWaalsContact O-OH 3.11Å; I85-R121 WeakPolarHBondContact O-CA 3.4Å; I85-I122 HydrophobicContact CD1-CD1 4.41Å; I85-I122 HydrophobicContact CD1-CG1 4.31Å; I85-I122 HydrophobicContact CG1-CD1 4.44Å; I85-I122 HydrophobicContact CG1-CG1 3.81Å; I85-I122 PolarHBondContact N-O 2.9Å; I85-I122 PolarHBondContact O-N 2.89Å; I85-L124 HydrophobicContact CB-CD2 4.36Å; I85-L124 HydrophobicContact CD1-CD2 3.5Å; I85-L124 VanDerWaalsContact CD1-CD2 3.5Å; I85-L124 HydrophobicContact CG1-CD2 3.69Å; I85-L124 HydrophobicContact CG1-CG 4.3Å; I85-L124 HydrophobicContact CG2-CD1 4.13Å; I85-L124 HydrophobicContact CG2-CD2 3.76Å; I85-L124 HydrophobicContact CG2-CG 4.06Å; I85-L127 HydrophobicContact CD1-CD2 4.3Å
86	D	92.6	Very high	80.5	Confident	71 Å²	71	82.6 Å²	82.6	38%	0.38	41%	0.41	S	S	.	.			trans	-75	172.5	167.6	74.2	32.7	0	0	0	111.4	G88 Q89 F90 Y110 R121	D86-G88 VanDerWaalsContact C-N 3.25Å; D86-G88 PolarHBondContact O-N 2.76Å; D86-G88 VanDerWaalsContact OD1-CA 3.25Å; D86-G88 WeakPolarHBondContact OD1-CA 3.46Å; D86-G88 PolarHBondContact OD1-N 3.04Å; D86-Q89 PolarHBondContact O-N 2.96Å; D86-Q89 PolarHBondContact OD1-N 3.48Å; D86-F90 WeakPolarHBondContact O-CB 3.19Å; D86-F90 PolarHBondContact O-N 2.88Å; D86-Y110 WeakPolarHBondContact CA-OH 3.27Å; D86-R121 HydrophobicContact CB-CG 4.37Å
87	Y	94	Very high	82.5	Confident	90 Å²	90	73.1 Å²	73.1	35%	0.353	37%	0.367	S	S	.	.	H	α-helix	trans	-66.8	-26.6	-178	-174.7	-128.3	0	0	0	113.2	F90 K91 Y110	Y87-F90 AromaticContact CD2-CD1 4Å; Y87-F90 HydrophobicContact CD2-CD1 4Å; Y87-F90 HydrophobicContact CE2-CD1 4.03Å; Y87-F90 HydrophobicContact CE2-CE1 4.47Å; Y87-K91 HydrophobicContact CE1-CD 4.38Å; Y87-K91 HydrophobicContact CE2-CG 4.47Å; Y87-K91 WeakPolarHBondContact O-CG 3.18Å; Y87-K91 PolarHBondContact O-N 3.26Å; Y87-K91 VanDerWaalsContact O-N 3.08Å; Y87-K91 WeakPolarHBondContact OH-CE 3.48Å; Y87-Y110 AromaticContact CD2-CD1 3.89Å; Y87-Y110 HydrophobicContact CD2-CD1 3.89Å; Y87-Y110 AromaticContact CD2-CD2 3.84Å; Y87-Y110 HydrophobicContact CD2-CD2 3.84Å; Y87-Y110 HydrophobicContact CD2-CE1 4.25Å; Y87-Y110 HydrophobicContact CD2-CE2 4.21Å; Y87-Y110 AromaticContact CD2-CG 3.67Å; Y87-Y110 HydrophobicContact CD2-CG 3.67Å; Y87-Y110 HydrophobicContact CE2-CG 4.27Å; Y87-Y110 HydrophobicContact CG-CD1 4.43Å; Y87-Y110 HydrophobicContact CG-CE1 4.43Å; Y87-Y110 PolarHBondContact N-OH 3.49Å
88	G	93.2	Very high	84.5	Confident	38 Å²	38	72.7 Å²	72.7	39%	0.392	36%	0.363	S	S	.	.	H	α-helix	trans	-69.9	-46	175.3	0	0	0	0	0	111.8	D86 K91 K92	D86-G88 VanDerWaalsContact C-N 3.25Å; D86-G88 PolarHBondContact O-N 2.76Å; D86-G88 VanDerWaalsContact OD1-CA 3.25Å; D86-G88 WeakPolarHBondContact OD1-CA 3.46Å; D86-G88 PolarHBondContact OD1-N 3.04Å; G88-K91 PolarHBondContact O-N 3.25Å; G88-K92 WeakPolarHBondContact O-CG 3.21Å; G88-K92 PolarHBondContact O-N 3.03Å
89	Q	92.5	Very high	86.4	Confident	53 Å²	53	71.8 Å²	71.8	25%	0.248	36%	0.361	C	S	.	.	H	α-helix	trans	-62.1	-43	172.5	-69.8	171.5	-55.5	0	0	111	I85 D86 K91 K92 L93	I85-Q89 HydrophobicContact CB-CB 3.86Å; I85-Q89 HydrophobicContact CG2-CB 4.01Å; D86-Q89 PolarHBondContact O-N 2.96Å; D86-Q89 PolarHBondContact OD1-N 3.48Å; Q89-K91 VanDerWaalsContact C-N 3.31Å; Q89-K91 PolarHBondContact O-N 3.29Å; Q89-K92 WeakPolarHBondContact O-CB 3.09Å; Q89-K92 PolarHBondContact O-N 2.95Å; Q89-K92 VanDerWaalsContact O-N 3.09Å; Q89-L93 WeakPolarHBondContact O-CB 3.36Å; Q89-L93 PolarHBondContact O-N 3.42Å
90	F	94.9	Very high	88.1	Confident	2 Å²	2	66 Å²	66	1%	0.009	33%	0.333	C	S	.	.	H	α-helix	trans	-55.7	-42.9	173.7	-178.2	-101.9	0	0	0	112.8	I85 D86 Y87 L93 S94 F105 Y110 I122 L127	I85-F90 HydrophobicContact CD1-CB 3.97Å; I85-F90 HydrophobicContact CD1-CD2 3.93Å; I85-F90 HydrophobicContact CD1-CG 4.47Å; D86-F90 WeakPolarHBondContact O-CB 3.19Å; D86-F90 PolarHBondContact O-N 2.88Å; Y87-F90 AromaticContact CD2-CD1 4Å; Y87-F90 HydrophobicContact CD2-CD1 4Å; Y87-F90 HydrophobicContact CE2-CD1 4.03Å; Y87-F90 HydrophobicContact CE2-CE1 4.47Å; F90-L93 PolarHBondContact O-N 3.11Å; F90-S94 PolarHBondContact O-N 3.18Å; F90-F105 AromaticContact CD2-CD1 3.89Å; F90-F105 HydrophobicContact CD2-CD1 3.89Å; F90-F105 HydrophobicContact CD2-CE1 4.25Å; F90-F105 HydrophobicContact CE1-CB 4.11Å; F90-F105 HydrophobicContact CE1-CD1 4.27Å; F90-F105 AromaticContact CE2-CD1 3.62Å; F90-F105 HydrophobicContact CE2-CD1 3.62Å; F90-F105 HydrophobicContact CE2-CE1 4.11Å; F90-F105 HydrophobicContact CE2-CG 4.35Å; F90-F105 HydrophobicContact CG-CD1 4.36Å; F90-F105 VanDerWaalsContact CZ-CA 3.5Å; F90-F105 HydrophobicContact CZ-CB 4.03Å; F90-F105 AromaticContact CZ-CD1 3.86Å; F90-F105 HydrophobicContact CZ-CD1 3.86Å; F90-F105 HydrophobicContact CZ-CG 4.2Å; F90-Y110 HydrophobicContact CB-CD2 3.86Å; F90-Y110 HydrophobicContact CB-CE2 3.83Å; F90-Y110 AromaticContact CD1-CD2 3.8Å; F90-Y110 HydrophobicContact CD1-CD2 3.8Å; F90-Y110 HydrophobicContact CD1-CG 4.46Å; F90-Y110 AromaticContact CD2-CD2 3.82Å; F90-Y110 HydrophobicContact CD2-CD2 3.82Å; F90-Y110 HydrophobicContact CD2-CE2 4.36Å; F90-Y110 HydrophobicContact CE1-CD2 4.2Å; F90-Y110 HydrophobicContact CE2-CD2 4.22Å; F90-Y110 AromaticContact CG-CD2 3.56Å; F90-Y110 HydrophobicContact CG-CD2 3.56Å; F90-Y110 HydrophobicContact CG-CE2 4.05Å; F90-Y110 HydrophobicContact CZ-CD2 4.37Å; F90-I122 HydrophobicContact CD2-CD1 3.88Å; F90-I122 HydrophobicContact CE2-CD1 4.03Å; F90-L127 HydrophobicContact CD2-CD2 4.18Å; F90-L127 HydrophobicContact CE2-CD1 3.92Å; F90-L127 HydrophobicContact CE2-CD2 4.03Å
91	K	95.1	Very high	89.9	Confident	105 Å²	105	58.2 Å²	58.2	46%	0.457	30%	0.297	S	S	.	.	H	α-helix	trans	-66.4	-41.1	174.3	-75.5	-177.5	-175.6	178.5	0	112.8	Y87 G88 Q89 L93 S94 Q95	Y87-K91 HydrophobicContact CE1-CD 4.38Å; Y87-K91 HydrophobicContact CE2-CG 4.47Å; Y87-K91 WeakPolarHBondContact O-CG 3.18Å; Y87-K91 PolarHBondContact O-N 3.26Å; Y87-K91 VanDerWaalsContact O-N 3.08Å; Y87-K91 WeakPolarHBondContact OH-CE 3.48Å; G88-K91 PolarHBondContact O-N 3.25Å; Q89-K91 VanDerWaalsContact C-N 3.31Å; Q89-K91 PolarHBondContact O-N 3.29Å; K91-L93 VanDerWaalsContact C-N 3.35Å; K91-S94 WeakPolarHBondContact O-CB 3.49Å; K91-S94 PolarHBondContact O-N 3.11Å; K91-S94 PolarHBondContact O-OG 2.98Å; K91-Q95 PolarHBondContact O-N 3.03Å
92	K	92.9	Very high	91.7	Very high	136 Å²	136	58.7 Å²	58.7	59%	0.591	30%	0.295	S	S	*	.	H	α-helix	trans	-61.9	-45.2	175.8	-71.1	175.4	-179.2	177.3	0	110.8	G88 Q89 S94 Q95	G88-K92 WeakPolarHBondContact O-CG 3.21Å; G88-K92 PolarHBondContact O-N 3.03Å; Q89-K92 WeakPolarHBondContact O-CB 3.09Å; Q89-K92 PolarHBondContact O-N 2.95Å; Q89-K92 VanDerWaalsContact O-N 3.09Å; K92-S94 VanDerWaalsContact C-N 3.27Å; K92-S94 PolarHBondContact O-N 3.49Å; K92-Q95 WeakPolarHBondContact O-CB 3.3Å; K92-Q95 PolarHBondContact O-N 3.5Å
93	L	93.2	Very high	93	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-60.3	-37.9	176.6	-169.5	58.4	0	0	0	111.7	T67 I68 H71 I85 Q89 F90 K91 Q95 M96 V97 F105 L124 L127	T67-L93 HydrophobicContact CG2-CD1 4.5Å; I68-L93 HydrophobicContact CG1-CD2 4.13Å; I68-L93 HydrophobicContact CG2-CD2 4.29Å; H71-L93 HydrophobicContact CB-CD1 4.25Å; I85-L93 HydrophobicContact CD1-CD2 4.18Å; Q89-L93 WeakPolarHBondContact O-CB 3.36Å; Q89-L93 PolarHBondContact O-N 3.42Å; F90-L93 PolarHBondContact O-N 3.11Å; K91-L93 VanDerWaalsContact C-N 3.35Å; L93-Q95 PolarHBondContact O-N 3.4Å; L93-Q95 VanDerWaalsContact O-N 3.13Å; L93-M96 HydrophobicContact CD1-SD 4.47Å; L93-M96 PolarHBondContact O-N 3.21Å; L93-V97 PolarHBondContact O-N 3.05Å; L93-F105 HydrophobicContact CB-CE1 4.14Å; L93-F105 HydrophobicContact CD2-CE1 3.95Å; L93-F105 HydrophobicContact CD2-CZ 4.41Å; L93-F105 HydrophobicContact CG-CE1 3.84Å; L93-F105 HydrophobicContact CG-CZ 4.25Å; L93-L124 HydrophobicContact CD2-CD2 4.12Å; L93-L127 HydrophobicContact CD2-CD2 4.38Å
94	S	94.5	Very high	93.5	Very high	16 Å²	16	60.2 Å²	60.2	11%	0.112	30%	0.301	C	S	.	.	H	α-helix	trans	-60.4	-21.9	174.9	85.9	0	0	0	0	114.7	F90 K91 K92 R102	F90-S94 PolarHBondContact O-N 3.18Å; K91-S94 WeakPolarHBondContact O-CB 3.49Å; K91-S94 PolarHBondContact O-N 3.11Å; K91-S94 PolarHBondContact O-OG 2.98Å; K92-S94 VanDerWaalsContact C-N 3.27Å; K92-S94 PolarHBondContact O-N 3.49Å; S94-R102 PolarHBondContact O-NE 2.97Å
95	Q	94.3	Very high	93.8	Very high	150 Å²	150	56.7 Å²	56.7	70%	0.701	29%	0.287	S	S	*	.	H	α-helix	trans	-85.7	-22.5	177.3	-63.6	175.1	-16.6	0	0	112.1	K91 K92 L93	K91-Q95 PolarHBondContact O-N 3.03Å; K92-Q95 WeakPolarHBondContact O-CB 3.3Å; K92-Q95 PolarHBondContact O-N 3.5Å; L93-Q95 PolarHBondContact O-N 3.4Å; L93-Q95 VanDerWaalsContact O-N 3.13Å
96	M	92.9	Very high	93.9	Very high	113 Å²	113	59.2 Å²	59.2	56%	0.557	30%	0.301	S	S	*	.	H	α-helix	trans	-84.2	-24.1	-179.6	-61.5	177.1	65.9	0	0	112.7	T67 L93	T67-M96 HydrophobicContact CG2-CB 4.02Å; L93-M96 HydrophobicContact CD1-SD 4.47Å; L93-M96 PolarHBondContact O-N 3.21Å
97	V	94.1	Very high	94	Very high	7 Å²	7	58.3 Å²	58.3	4%	0.042	30%	0.303	C	S	.	.	S	Bend	trans	-88.7	163	-179.8	-58.2	0	0	0	0	112.8	T64 T67 L93 A101 R102 F105	T64-V97 HydrophobicContact CG2-CG1 4.21Å; T67-V97 HydrophobicContact CG2-CG1 4.01Å; L93-V97 PolarHBondContact O-N 3.05Å; V97-A101 HydrophobicContact CB-CB 3.71Å; V97-A101 HydrophobicContact CG2-CB 3.75Å; V97-R102 PolarHBondContact O-NH2 3.41Å; V97-F105 HydrophobicContact CG1-CE2 4.24Å; V97-F105 HydrophobicContact CG1-CZ 4.19Å; V97-F105 HydrophobicContact CG2-CD2 3.99Å; V97-F105 HydrophobicContact CG2-CE2 3.78Å; V97-F105 HydrophobicContact CG2-CZ 4.35Å
98	S	93.9	Very high	94.1	Very high	37 Å²	37	62.4 Å²	62.4	26%	0.259	32%	0.323	S	S	.	.			trans	-58.7	161.1	178.9	78	0	0	0	0	113.3	K100 A101 R102	S98-K100 PolarHBondContact O-N 3.46Å; S98-A101 PolarHBondContact O-N 3.5Å; S98-A101 WeakPolarHBondContact OG-CB 3.47Å; S98-A101 PolarHBondContact OG-N 3.2Å; S98-R102 PolarHBondContact O-N 2.85Å
99	A	93.5	Very high	94.2	Very high	72 Å²	72	60.7 Å²	60.7	60%	0.595	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-34.8	179.2	0	0	0	0	0	113
100	K	93.3	Very high	94.4	Very high	55 Å²	55	59.1 Å²	59.1	24%	0.239	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-44.6	175.9	-61.6	-179.7	-175.5	173.9	0	111.4	D53 M55 M56 E60 S98 R102 L103	D53-K100 WeakPolarHBondContact O-CE 3.43Å; D53-K100 PolarHBondContact O-NZ 3.48Å; M55-K100 WeakPolarHBondContact O-CD 3.44Å; M55-K100 PolarHBondContact O-NZ 3.43Å; M55-K100 VanDerWaalsContact O-NZ 3.16Å; M56-K100 HydrophobicContact CG-CB 3.8Å; E60-K100 VanDerWaalsContact CD-NZ 3.28Å; E60-K100 WeakPolarHBondContact OE1-CD 3.31Å; E60-K100 WeakPolarHBondContact OE1-CE 3.35Å; E60-K100 IonicContact OE1-NZ 2.76Å; E60-K100 PolarHBondContact OE1-NZ 2.89Å; E60-K100 WeakPolarHBondContact OE2-CD 3.5Å; E60-K100 IonicContact OE2-NZ 3.77Å; E60-K100 PolarHBondContact OE2-NZ 2.75Å; S98-K100 PolarHBondContact O-N 3.46Å; K100-R102 PolarHBondContact O-N 3.46Å; K100-L103 WeakPolarHBondContact O-CB 3.5Å; K100-L103 WeakPolarHBondContact O-CG 3.26Å; K100-L103 PolarHBondContact O-N 2.96Å
101	A	94.2	Very high	94.4	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-60.4	-34.8	176.2	0	0	0	0	0	112.3	M56 T64 V97 S98 L103 F104 F105	M56-A101 VanDerWaalsContact SD-CA 3.51Å; M56-A101 HydrophobicContact SD-CB 3.53Å; M56-A101 VanDerWaalsContact SD-CB 3.53Å; T64-A101 HydrophobicContact CG2-CB 3.76Å; T64-A101 WeakPolarHBondContact OG1-CB 3.27Å; V97-A101 HydrophobicContact CB-CB 3.71Å; V97-A101 HydrophobicContact CG2-CB 3.75Å; S98-A101 PolarHBondContact O-N 3.5Å; S98-A101 WeakPolarHBondContact OG-CB 3.47Å; S98-A101 PolarHBondContact OG-N 3.2Å; A101-L103 PolarHBondContact O-N 2.96Å; A101-F104 VanDerWaalsContact O-CD2 3.32Å; A101-F104 WeakPolarHBondContact O-CD2 3.34Å; A101-F104 PolarHBondContact O-N 2.85Å; A101-F105 WeakPolarHBondContact O-CD2 3.06Å
102	R	94.9	Very high	94.3	Very high	111 Å²	111	60.8 Å²	60.8	42%	0.419	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-58.4	-22.2	178.5	-162.1	175.6	-58.7	122.9	9	113.9	S94 V97 S98 K100 F104 F105	S94-R102 PolarHBondContact O-NE 2.97Å; V97-R102 PolarHBondContact O-NH2 3.41Å; S98-R102 PolarHBondContact O-N 2.85Å; K100-R102 PolarHBondContact O-N 3.46Å; R102-F104 PolarHBondContact O-N 3.11Å; R102-F105 PolarHBondContact O-N 3.48Å
103	L	92.8	Very high	94.5	Very high	105 Å²	105	55.5 Å²	55.5	55%	0.55	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-59.8	-26.2	175	-62.8	176.2	0	0	0	112.8	K100 A101 N106	K100-L103 WeakPolarHBondContact O-CB 3.5Å; K100-L103 WeakPolarHBondContact O-CG 3.26Å; K100-L103 PolarHBondContact O-N 2.96Å; A101-L103 PolarHBondContact O-N 2.96Å; L103-N106 PolarHBondContact O-ND2 3.34Å
104	F	94.9	Very high	94.5	Very high	9 Å²	9	59 Å²	59	4%	0.039	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-82.3	-18.7	176.1	-59.5	-92.7	0	0	0	112.4	M56 A101 R102 N106 T109 Y130 I131 K134 T135	M56-F104 HydrophobicContact CE-CD2 3.97Å; M56-F104 HydrophobicContact CE-CE2 3.41Å; M56-F104 VanDerWaalsContact CE-CE2 3.41Å; M56-F104 HydrophobicContact CE-CZ 4Å; M56-F104 HydrophobicContact SD-CE2 4.46Å; A101-F104 VanDerWaalsContact O-CD2 3.32Å; A101-F104 WeakPolarHBondContact O-CD2 3.34Å; A101-F104 PolarHBondContact O-N 2.85Å; R102-F104 PolarHBondContact O-N 3.11Å; F104-N106 PolarHBondContact O-N 3.05Å; F104-T109 WeakPolarHBondContact O-CB 3.45Å; F104-T109 VanDerWaalsContact O-CG2 3.25Å; F104-T109 WeakPolarHBondContact O-CG2 3.48Å; F104-T109 PolarHBondContact O-OG1 3.43Å; F104-Y130 HydrophobicContact CD1-CD1 4.42Å; F104-Y130 HydrophobicContact CD1-CE1 4.1Å; F104-I131 HydrophobicContact CB-CD1 4.3Å; F104-I131 HydrophobicContact CB-CG1 3.81Å; F104-I131 HydrophobicContact CD1-CB 4.49Å; F104-I131 HydrophobicContact CD1-CG1 4.12Å; F104-I131 HydrophobicContact CD1-CG2 4.5Å; F104-I131 HydrophobicContact CD2-CG2 4.49Å; F104-I131 HydrophobicContact CG-CG1 3.98Å; F104-I131 HydrophobicContact CG-CG2 4.42Å; F104-K134 HydrophobicContact CD1-CB 4.44Å; F104-K134 HydrophobicContact CD1-CD 4.02Å; F104-K134 HydrophobicContact CD1-CG 4.46Å; F104-K134 HydrophobicContact CE1-CB 3.82Å; F104-K134 HydrophobicContact CE1-CD 3.81Å; F104-K134 HydrophobicContact CE1-CG 3.79Å; F104-T135 WeakPolarHBondContact CZ-OG1 3.39Å
105	F	95.5	Very high	94	Very high	18 Å²	18	64.9 Å²	64.9	8%	0.079	36%	0.357	C	S	.	.			trans	-94.8	63.6	-175.8	-69.4	-101.4	0	0	0	112.5	I68 F90 L93 V97 A101 R102 L127 I131	I68-F105 HydrophobicContact CD1-CZ 4.13Å; I68-F105 HydrophobicContact CG1-CZ 4.34Å; F90-F105 AromaticContact CD2-CD1 3.89Å; F90-F105 HydrophobicContact CD2-CD1 3.89Å; F90-F105 HydrophobicContact CD2-CE1 4.25Å; F90-F105 HydrophobicContact CE1-CB 4.11Å; F90-F105 HydrophobicContact CE1-CD1 4.27Å; F90-F105 AromaticContact CE2-CD1 3.62Å; F90-F105 HydrophobicContact CE2-CD1 3.62Å; F90-F105 HydrophobicContact CE2-CE1 4.11Å; F90-F105 HydrophobicContact CE2-CG 4.35Å; F90-F105 HydrophobicContact CG-CD1 4.36Å; F90-F105 VanDerWaalsContact CZ-CA 3.5Å; F90-F105 HydrophobicContact CZ-CB 4.03Å; F90-F105 AromaticContact CZ-CD1 3.86Å; F90-F105 HydrophobicContact CZ-CD1 3.86Å; F90-F105 HydrophobicContact CZ-CG 4.2Å; L93-F105 HydrophobicContact CB-CE1 4.14Å; L93-F105 HydrophobicContact CD2-CE1 3.95Å; L93-F105 HydrophobicContact CD2-CZ 4.41Å; L93-F105 HydrophobicContact CG-CE1 3.84Å; L93-F105 HydrophobicContact CG-CZ 4.25Å; V97-F105 HydrophobicContact CG1-CE2 4.24Å; V97-F105 HydrophobicContact CG1-CZ 4.19Å; V97-F105 HydrophobicContact CG2-CD2 3.99Å; V97-F105 HydrophobicContact CG2-CE2 3.78Å; V97-F105 HydrophobicContact CG2-CZ 4.35Å; A101-F105 WeakPolarHBondContact O-CD2 3.06Å; R102-F105 PolarHBondContact O-N 3.48Å; F105-L127 HydrophobicContact CE1-CD2 3.88Å; F105-L127 HydrophobicContact CZ-CD2 4.16Å; F105-I131 HydrophobicContact CE2-CD1 3.98Å; F105-I131 HydrophobicContact CZ-CD1 4.19Å
106	N	94.7	Very high	93.5	Very high	56 Å²	56	63 Å²	63	30%	0.299	36%	0.361	S	S	.	.	S	Bend	trans	-119.5	164.4	176.8	66.4	68.8	0	0	0	111.4	L103 F104 F108 T109 Y110	L103-N106 PolarHBondContact O-ND2 3.34Å; F104-N106 PolarHBondContact O-N 3.05Å; N106-F108 PolarHBondContact O-N 3.22Å; N106-F108 WeakPolarHBondContact OD1-CA 3.31Å; N106-F108 VanDerWaalsContact OD1-CB 3.32Å; N106-F108 WeakPolarHBondContact OD1-CB 3.25Å; N106-F108 PolarHBondContact OD1-N 3.28Å; N106-T109 PolarHBondContact ND2-OG1 3.26Å; N106-T109 PolarHBondContact O-N 3.13Å; N106-T109 PolarHBondContact OD1-N 3.49Å; N106-T109 PolarHBondContact OD1-OG1 3.36Å; N106-Y110 PolarHBondContact O-N 3.1Å; N106-Y110 VanDerWaalsContact O-N 3.1Å
107	A	95.7	Very high	93.2	Very high	52 Å²	52	59.1 Å²	59.1	43%	0.43	34%	0.342	S	S	.	.	H	α-helix	trans	-60.5	-32.3	-177	0	0	0	0	0	113.2	Y110 A111	A107-Y110 PolarHBondContact O-N 3.44Å; A107-A111 WeakPolarHBondContact O-CB 3.19Å; A107-A111 PolarHBondContact O-N 2.91Å
108	F	95.2	Very high	92.8	Very high	176 Å²	176	64.5 Å²	64.5	77%	0.772	38%	0.377	S	S	*	.	H	α-helix	trans	-68.6	-41.6	177	-63.5	-84	0	0	0	111.7	N106 Y110 A111 A112	N106-F108 PolarHBondContact O-N 3.22Å; N106-F108 WeakPolarHBondContact OD1-CA 3.31Å; N106-F108 VanDerWaalsContact OD1-CB 3.32Å; N106-F108 WeakPolarHBondContact OD1-CB 3.25Å; N106-F108 PolarHBondContact OD1-N 3.28Å; F108-Y110 VanDerWaalsContact C-N 3.33Å; F108-A111 PolarHBondContact O-N 3.06Å; F108-A112 VanDerWaalsContact O-CB 3.24Å; F108-A112 WeakPolarHBondContact O-CB 3.48Å; F108-A112 PolarHBondContact O-N 3.28Å
109	T	95.9	Very high	92.5	Very high	2 Å²	2	71.1 Å²	71.1	1%	0.012	40%	0.398	C	S	.	.	H	α-helix	trans	-59.8	-47	173.3	-54.7	0	0	0	0	110.4	F104 N106 A111 A112 L113 L127 Y130	F104-T109 WeakPolarHBondContact O-CB 3.45Å; F104-T109 VanDerWaalsContact O-CG2 3.25Å; F104-T109 WeakPolarHBondContact O-CG2 3.48Å; F104-T109 PolarHBondContact O-OG1 3.43Å; N106-T109 PolarHBondContact ND2-OG1 3.26Å; N106-T109 PolarHBondContact O-N 3.13Å; N106-T109 PolarHBondContact OD1-N 3.49Å; N106-T109 PolarHBondContact OD1-OG1 3.36Å; T109-A111 PolarHBondContact O-N 3.44Å; T109-A112 PolarHBondContact O-N 2.88Å; T109-L113 HydrophobicContact CG2-CD1 3.87Å; T109-L113 HydrophobicContact CG2-CG 4.41Å; T109-L113 WeakPolarHBondContact O-CG 3.47Å; T109-L113 PolarHBondContact O-N 3.28Å; T109-L113 VanDerWaalsContact O-N 3.09Å; T109-L127 HydrophobicContact CG2-CD1 4.47Å; T109-Y130 HydrophobicContact CG2-CD1 3.73Å; T109-Y130 HydrophobicContact CG2-CE1 3.4Å; T109-Y130 VanDerWaalsContact CG2-CE1 3.4Å; T109-Y130 HydrophobicContact CG2-CG 4.45Å
110	Y	96.6	Very high	92.4	Very high	20 Å²	20	69.1 Å²	69.1	8%	0.078	38%	0.384	C	S	.	.	H	α-helix	trans	-58.6	-49.6	179.3	-168.2	-92.1	0	0	0	111.9	I85 D86 Y87 F90 N106 A107 F108 A112 L113 L114 G120 I122	I85-Y110 PolarHBondContact O-OH 3.48Å; I85-Y110 VanDerWaalsContact O-OH 3.11Å; D86-Y110 WeakPolarHBondContact CA-OH 3.27Å; Y87-Y110 AromaticContact CD2-CD1 3.89Å; Y87-Y110 HydrophobicContact CD2-CD1 3.89Å; Y87-Y110 AromaticContact CD2-CD2 3.84Å; Y87-Y110 HydrophobicContact CD2-CD2 3.84Å; Y87-Y110 HydrophobicContact CD2-CE1 4.25Å; Y87-Y110 HydrophobicContact CD2-CE2 4.21Å; Y87-Y110 AromaticContact CD2-CG 3.67Å; Y87-Y110 HydrophobicContact CD2-CG 3.67Å; Y87-Y110 HydrophobicContact CE2-CG 4.27Å; Y87-Y110 HydrophobicContact CG-CD1 4.43Å; Y87-Y110 HydrophobicContact CG-CE1 4.43Å; Y87-Y110 PolarHBondContact N-OH 3.49Å; F90-Y110 HydrophobicContact CB-CD2 3.86Å; F90-Y110 HydrophobicContact CB-CE2 3.83Å; F90-Y110 AromaticContact CD1-CD2 3.8Å; F90-Y110 HydrophobicContact CD1-CD2 3.8Å; F90-Y110 HydrophobicContact CD1-CG 4.46Å; F90-Y110 AromaticContact CD2-CD2 3.82Å; F90-Y110 HydrophobicContact CD2-CD2 3.82Å; F90-Y110 HydrophobicContact CD2-CE2 4.36Å; F90-Y110 HydrophobicContact CE1-CD2 4.2Å; F90-Y110 HydrophobicContact CE2-CD2 4.22Å; F90-Y110 AromaticContact CG-CD2 3.56Å; F90-Y110 HydrophobicContact CG-CD2 3.56Å; F90-Y110 HydrophobicContact CG-CE2 4.05Å; F90-Y110 HydrophobicContact CZ-CD2 4.37Å; N106-Y110 PolarHBondContact O-N 3.1Å; N106-Y110 VanDerWaalsContact O-N 3.1Å; A107-Y110 PolarHBondContact O-N 3.44Å; F108-Y110 VanDerWaalsContact C-N 3.33Å; Y110-A112 VanDerWaalsContact C-N 3.32Å; Y110-A112 PolarHBondContact O-N 3.09Å; Y110-L113 PolarHBondContact O-N 3.35Å; Y110-L114 PolarHBondContact O-N 3.38Å; Y110-G120 PolarHBondContact OH-O 3.04Å; Y110-I122 HydrophobicContact CD2-CD1 3.66Å; Y110-I122 HydrophobicContact CD2-CG1 4.13Å; Y110-I122 HydrophobicContact CD2-CG2 4.16Å; Y110-I122 HydrophobicContact CE1-CG2 4.29Å; Y110-I122 HydrophobicContact CE2-CB 4.39Å; Y110-I122 HydrophobicContact CE2-CD1 3.76Å; Y110-I122 HydrophobicContact CE2-CG1 3.71Å; Y110-I122 HydrophobicContact CE2-CG2 3.88Å; Y110-I122 HydrophobicContact CG-CG2 4.49Å
111	A	94.4	Very high	92.4	Very high	64 Å²	64	68.7 Å²	68.7	53%	0.529	38%	0.381	S	S	.	.	H	α-helix	trans	-63.1	-36.8	178.5	0	0	0	0	0	112.7	A107 F108 T109 L113 L114	A107-A111 WeakPolarHBondContact O-CB 3.19Å; A107-A111 PolarHBondContact O-N 2.91Å; F108-A111 PolarHBondContact O-N 3.06Å; T109-A111 PolarHBondContact O-N 3.44Å; A111-L113 VanDerWaalsContact C-N 3.29Å; A111-L113 PolarHBondContact O-N 3.02Å; A111-L114 WeakPolarHBondContact O-CB 3.34Å; A111-L114 PolarHBondContact O-N 3.3Å
112	A	93.7	Very high	92.4	Very high	77 Å²	77	68.8 Å²	68.8	64%	0.636	38%	0.382	S	S	*	.	H	α-helix	trans	-69.3	-26.1	178.1	0	0	0	0	0	113.4	F108 T109 Y110	F108-A112 VanDerWaalsContact O-CB 3.24Å; F108-A112 WeakPolarHBondContact O-CB 3.48Å; F108-A112 PolarHBondContact O-N 3.28Å; T109-A112 PolarHBondContact O-N 2.88Å; Y110-A112 VanDerWaalsContact C-N 3.32Å; Y110-A112 PolarHBondContact O-N 3.09Å
113	L	95.6	Very high	92.3	Very high	26 Å²	26	64 Å²	64	14%	0.136	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-3	177.5	-62.9	176.1	0	0	0	113	T109 Y110 A111 N115 I122 D126 L127 Y130	T109-L113 HydrophobicContact CG2-CD1 3.87Å; T109-L113 HydrophobicContact CG2-CG 4.41Å; T109-L113 WeakPolarHBondContact O-CG 3.47Å; T109-L113 PolarHBondContact O-N 3.28Å; T109-L113 VanDerWaalsContact O-N 3.09Å; Y110-L113 PolarHBondContact O-N 3.35Å; A111-L113 VanDerWaalsContact C-N 3.29Å; A111-L113 PolarHBondContact O-N 3.02Å; L113-N115 PolarHBondContact O-N 2.94Å; L113-N115 VanDerWaalsContact O-N 3.11Å; L113-I122 HydrophobicContact CB-CB 4.25Å; L113-I122 HydrophobicContact CB-CD1 4.39Å; L113-I122 HydrophobicContact CB-CG2 3.97Å; L113-I122 HydrophobicContact CD1-CD1 4.13Å; L113-D126 HydrophobicContact CD2-CB 4.42Å; L113-L127 HydrophobicContact CD1-CB 4.19Å; L113-L127 HydrophobicContact CD1-CD1 3.87Å; L113-Y130 HydrophobicContact CD1-CG 4.44Å; L113-Y130 HydrophobicContact CD2-CD2 4.09Å; L113-Y130 HydrophobicContact CD2-CG 4.23Å
114	L	93	Very high	92.3	Very high	74 Å²	74	59 Å²	59	39%	0.387	34%	0.339	S	S	.	.			trans	-75.3	100.5	-179.6	-174	68	0	0	0	110.4	Y110 A111 S116 R121 I122	Y110-L114 PolarHBondContact O-N 3.38Å; A111-L114 WeakPolarHBondContact O-CB 3.34Å; A111-L114 PolarHBondContact O-N 3.3Å; L114-S116 PolarHBondContact O-N 3.14Å; L114-R121 WeakPolarHBondContact CD1-O 3.44Å; L114-I122 HydrophobicContact CD1-CG2 4.5Å
115	N	85.9	Confident	92.1	Very high	138 Å²	138	62.2 Å²	62.2	74%	0.738	36%	0.357	S	S	*	.			trans	-91.5	61.1	-179.3	-170.6	25.7	0	0	0	112.7	L113 D117	L113-N115 PolarHBondContact O-N 2.94Å; L113-N115 VanDerWaalsContact O-N 3.11Å; N115-D117 PolarHBondContact O-N 2.96Å
116	S	82.7	Confident	92	Very high	112 Å²	112	63.7 Å²	63.7	78%	0.783	37%	0.365	S	S	*	.	S	Bend	trans	51.7	24.6	179.1	-53.4	0	0	0	0	115.4	L114 P118	L114-S116 PolarHBondContact O-N 3.14Å; S116-P118 WeakPolarHBondContact O-CD 3.32Å
117	D	87.1	Confident	92	Very high	31 Å²	31	61 Å²	61	17%	0.166	35%	0.351	C	S	.	.			trans	-62.2	126.2	177.6	175.8	69.6	0	0	0	109.7	N115 Y119 G120 R121	N115-D117 PolarHBondContact O-N 2.96Å; D117-Y119 PolarHBondContact O-N 2.95Å; D117-Y119 VanDerWaalsContact O-N 3.09Å; D117-Y119 WeakPolarHBondContact OD2-CA 3.27Å; D117-Y119 WeakPolarHBondContact OD2-CB 3.47Å; D117-Y119 PolarHBondContact OD2-N 3.47Å; D117-Y119 VanDerWaalsContact OD2-N 3.13Å; D117-G120 PolarHBondContact O-N 3.44Å; D117-G120 PolarHBondContact OD2-N 3Å; D117-G120 VanDerWaalsContact OD2-N 3.14Å; D117-R121 WeakPolarHBondContact CB-O 3.24Å; D117-R121 IonicContact OD1-CZ 2.75Å; D117-R121 IonicContact OD1-NE 3.55Å; D117-R121 IonicContact OD1-NH2 2.96Å; D117-R121 PolarHBondContact OD1-NH2 3.11Å; D117-R121 VanDerWaalsContact OD2-CB 3.32Å; D117-R121 WeakPolarHBondContact OD2-CB 3.37Å; D117-R121 IonicContact OD2-CZ 3.77Å; D117-R121 PolarHBondContact OD2-N 3.32Å; D117-R121 IonicContact OD2-NE 3.68Å; D117-R121 PolarHBondContact OD2-NE 3.4Å; D117-R121 VanDerWaalsContact OD2-NE 3.09Å; D117-R121 IonicContact OD2-NH2 2.97Å
118	P	85.5	Confident	91.9	Very high	119 Å²	119	58.9 Å²	58.9	77%	0.773	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-24.2	-177.6	-26.1	34.3	0	0	0	114.4	S116	S116-P118 WeakPolarHBondContact O-CD 3.32Å
119	Y	88.3	Confident	91.9	Very high	177 Å²	177	57.2 Å²	57.2	69%	0.694	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	4.3	-179.7	-54.3	-84.4	0	0	0	112.5	D117 R121	D117-Y119 PolarHBondContact O-N 2.95Å; D117-Y119 VanDerWaalsContact O-N 3.09Å; D117-Y119 WeakPolarHBondContact OD2-CA 3.27Å; D117-Y119 WeakPolarHBondContact OD2-CB 3.47Å; D117-Y119 PolarHBondContact OD2-N 3.47Å; D117-Y119 VanDerWaalsContact OD2-N 3.13Å; Y119-R121 VanDerWaalsContact CD2-NH2 3.25Å; Y119-R121 PolarHBondContact O-N 3.31Å
120	G	91.1	Very high	91.8	Very high	30 Å²	30	60 Å²	60	31%	0.309	33%	0.331	S	S	.	.			trans	68.7	30.3	178.3	0	0	0	0	0	113.6	Y110 D117	Y110-G120 PolarHBondContact OH-O 3.04Å; D117-G120 PolarHBondContact O-N 3.44Å; D117-G120 PolarHBondContact OD2-N 3Å; D117-G120 VanDerWaalsContact OD2-N 3.14Å
121	R	93	Very high	91.8	Very high	46 Å²	46	59 Å²	59	17%	0.174	33%	0.328	C	S	.	.			trans	-101.5	160.4	-178.3	-55.7	167.9	-62.3	173.9	3.5	112.3	H81 Y84 I85 D86 L114 D117 Y119	H81-R121 PolarHBondContact ND1-NH1 3.13Å; Y84-R121 HydrophobicContact CD1-CB 4.4Å; I85-R121 WeakPolarHBondContact O-CA 3.4Å; D86-R121 HydrophobicContact CB-CG 4.37Å; L114-R121 WeakPolarHBondContact CD1-O 3.44Å; D117-R121 WeakPolarHBondContact CB-O 3.24Å; D117-R121 IonicContact OD1-CZ 2.75Å; D117-R121 IonicContact OD1-NE 3.55Å; D117-R121 IonicContact OD1-NH2 2.96Å; D117-R121 PolarHBondContact OD1-NH2 3.11Å; D117-R121 VanDerWaalsContact OD2-CB 3.32Å; D117-R121 WeakPolarHBondContact OD2-CB 3.37Å; D117-R121 IonicContact OD2-CZ 3.77Å; D117-R121 PolarHBondContact OD2-N 3.32Å; D117-R121 IonicContact OD2-NE 3.68Å; D117-R121 PolarHBondContact OD2-NE 3.4Å; D117-R121 VanDerWaalsContact OD2-NE 3.09Å; D117-R121 IonicContact OD2-NH2 2.97Å; Y119-R121 VanDerWaalsContact CD2-NH2 3.25Å; Y119-R121 PolarHBondContact O-N 3.31Å
122	I	94.3	Very high	91.7	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	152.5	173.6	67.2	170.6	0	0	0	111	Y84 I85 F90 Y110 L113 L114	Y84-I122 VanDerWaalsContact CA-O 3.3Å; Y84-I122 WeakPolarHBondContact CA-O 3.38Å; I85-I122 HydrophobicContact CD1-CD1 4.41Å; I85-I122 HydrophobicContact CD1-CG1 4.31Å; I85-I122 HydrophobicContact CG1-CD1 4.44Å; I85-I122 HydrophobicContact CG1-CG1 3.81Å; I85-I122 PolarHBondContact N-O 2.9Å; I85-I122 PolarHBondContact O-N 2.89Å; F90-I122 HydrophobicContact CD2-CD1 3.88Å; F90-I122 HydrophobicContact CE2-CD1 4.03Å; Y110-I122 HydrophobicContact CD2-CD1 3.66Å; Y110-I122 HydrophobicContact CD2-CG1 4.13Å; Y110-I122 HydrophobicContact CD2-CG2 4.16Å; Y110-I122 HydrophobicContact CE1-CG2 4.29Å; Y110-I122 HydrophobicContact CE2-CB 4.39Å; Y110-I122 HydrophobicContact CE2-CD1 3.76Å; Y110-I122 HydrophobicContact CE2-CG1 3.71Å; Y110-I122 HydrophobicContact CE2-CG2 3.88Å; Y110-I122 HydrophobicContact CG-CG2 4.49Å; L113-I122 HydrophobicContact CB-CB 4.25Å; L113-I122 HydrophobicContact CB-CD1 4.39Å; L113-I122 HydrophobicContact CB-CG2 3.97Å; L113-I122 HydrophobicContact CD1-CD1 4.13Å; L114-I122 HydrophobicContact CD1-CG2 4.5Å
123	S	92.2	Very high	91.6	Very high	10 Å²	10	58.3 Å²	58.3	7%	0.07	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	134.4	172.2	170.7	0	0	0	0	111.1	T83 D125 D126 L127	T83-S123 CarbonylContact O-C 3.55Å; T83-S123 WeakPolarHBondContact O-CA 3.33Å; S123-D125 VanDerWaalsContact C-N 3.26Å; S123-D125 PolarHBondContact O-N 3.38Å; S123-D125 PolarHBondContact OG-N 2.86Å; S123-D125 VanDerWaalsContact OG-N 3.13Å; S123-D126 WeakPolarHBondContact CB-OD2 3.41Å; S123-D126 PolarHBondContact O-N 2.98Å; S123-D126 PolarHBondContact OG-N 3.34Å; S123-L127 PolarHBondContact O-N 2.84Å
124	L	92.6	Very high	91.4	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-63.4	-34	171.3	-70	174.9	0	0	0	111.2	I68 V72 T83 I85 L93 L127 M128	I68-L124 HydrophobicContact CG2-CB 4.31Å; I68-L124 HydrophobicContact CG2-CD2 3.88Å; V72-L124 HydrophobicContact CG2-CD1 3.46Å; V72-L124 VanDerWaalsContact CG2-CD1 3.46Å; T83-L124 WeakPolarHBondContact O-CB 3.12Å; T83-L124 WeakPolarHBondContact O-CG 3.23Å; T83-L124 PolarHBondContact O-N 3.49Å; I85-L124 HydrophobicContact CB-CD2 4.36Å; I85-L124 HydrophobicContact CD1-CD2 3.5Å; I85-L124 VanDerWaalsContact CD1-CD2 3.5Å; I85-L124 HydrophobicContact CG1-CD2 3.69Å; I85-L124 HydrophobicContact CG1-CG 4.3Å; I85-L124 HydrophobicContact CG2-CD1 4.13Å; I85-L124 HydrophobicContact CG2-CD2 3.76Å; I85-L124 HydrophobicContact CG2-CG 4.06Å; L93-L124 HydrophobicContact CD2-CD2 4.12Å; L124-L127 HydrophobicContact CD2-CD2 4.5Å; L124-L127 WeakPolarHBondContact O-CB 3.19Å; L124-L127 PolarHBondContact O-N 3.23Å; L124-M128 WeakPolarHBondContact O-CB 3.19Å; L124-M128 VanDerWaalsContact O-CG 3.31Å; L124-M128 WeakPolarHBondContact O-CG 3Å; L124-M128 PolarHBondContact O-N 3.43Å
125	D	91.3	Very high	91.4	Very high	76 Å²	76	55.8 Å²	55.8	41%	0.406	28%	0.28	S	S	.	.	H	α-helix	trans	-67.3	-39.3	175.3	-63.2	-42.8	0	0	0	112	S123 L127 M128 R129	S123-D125 VanDerWaalsContact C-N 3.26Å; S123-D125 PolarHBondContact O-N 3.38Å; S123-D125 PolarHBondContact OG-N 2.86Å; S123-D125 VanDerWaalsContact OG-N 3.13Å; D125-L127 VanDerWaalsContact C-N 3.35Å; D125-M128 HydrophobicContact CB-CE 4.49Å; D125-M128 WeakPolarHBondContact OD1-CE 3.24Å; D125-R129 WeakPolarHBondContact O-CB 3.37Å; D125-R129 WeakPolarHBondContact O-CG 3.25Å; D125-R129 PolarHBondContact O-N 2.82Å; D125-R129 PolarHBondContact O-NE 3Å; D125-R129 VanDerWaalsContact O-NE 3.15Å
126	D	93.2	Very high	91.6	Very high	48 Å²	48	49.7 Å²	49.7	26%	0.257	25%	0.247	S	C	.	.	H	α-helix	trans	-64.8	-40.9	173.3	-73.2	-30.8	0	0	0	111	L113 S123 R129 Y130	L113-D126 HydrophobicContact CD2-CB 4.42Å; S123-D126 WeakPolarHBondContact CB-OD2 3.41Å; S123-D126 PolarHBondContact O-N 2.98Å; S123-D126 PolarHBondContact OG-N 3.34Å; D126-R129 PolarHBondContact O-N 3.49Å; D126-R129 IonicContact OD1-CZ 3.41Å; D126-R129 IonicContact OD1-NE 3.48Å; D126-R129 IonicContact OD1-NH1 3.02Å; D126-R129 PolarHBondContact OD1-NH1 3.33Å; D126-R129 IonicContact OD1-NH2 2.83Å; D126-R129 PolarHBondContact OD1-NH2 3.18Å; D126-Y130 VanDerWaalsContact O-CB 3.23Å; D126-Y130 WeakPolarHBondContact O-CB 3.45Å; D126-Y130 PolarHBondContact O-N 3.44Å
127	L	94.9	Very high	92	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-62.5	-46.8	175.6	178.3	60.9	0	0	0	112	I85 F90 L93 F105 T109 L113 S123 L124 D125 Y130 I131	I85-L127 HydrophobicContact CD1-CD2 4.3Å; F90-L127 HydrophobicContact CD2-CD2 4.18Å; F90-L127 HydrophobicContact CE2-CD1 3.92Å; F90-L127 HydrophobicContact CE2-CD2 4.03Å; L93-L127 HydrophobicContact CD2-CD2 4.38Å; F105-L127 HydrophobicContact CE1-CD2 3.88Å; F105-L127 HydrophobicContact CZ-CD2 4.16Å; T109-L127 HydrophobicContact CG2-CD1 4.47Å; L113-L127 HydrophobicContact CD1-CB 4.19Å; L113-L127 HydrophobicContact CD1-CD1 3.87Å; S123-L127 PolarHBondContact O-N 2.84Å; L124-L127 HydrophobicContact CD2-CD2 4.5Å; L124-L127 WeakPolarHBondContact O-CB 3.19Å; L124-L127 PolarHBondContact O-N 3.23Å; D125-L127 VanDerWaalsContact C-N 3.35Å; L127-Y130 WeakPolarHBondContact O-CB 3.23Å; L127-Y130 PolarHBondContact O-N 3.08Å; L127-I131 HydrophobicContact CD1-CD1 3.92Å; L127-I131 HydrophobicContact CD1-CG1 4.26Å; L127-I131 HydrophobicContact CG-CD1 3.98Å; L127-I131 VanDerWaalsContact O-CG1 3.29Å; L127-I131 WeakPolarHBondContact O-CG1 3.47Å; L127-I131 PolarHBondContact O-N 2.97Å
128	M	94.1	Very high	92.2	Very high	7 Å²	7	49.2 Å²	49.2	3%	0.034	23%	0.23	C	C	.	.	H	α-helix	trans	-61.9	-47.8	177.3	-73.5	-174.7	-64.8	0	0	111.5	I65 I68 Q69 L124 D125 Y130 I131 M132	I65-M128 HydrophobicContact CD1-CB 3.86Å; I65-M128 HydrophobicContact CD1-CG 3.86Å; I65-M128 HydrophobicContact CG2-CG 4.47Å; I65-M128 HydrophobicContact CG2-SD 3.85Å; I68-M128 HydrophobicContact CB-CG 4.08Å; I68-M128 HydrophobicContact CB-SD 4.25Å; I68-M128 HydrophobicContact CD1-CG 4.11Å; I68-M128 HydrophobicContact CG2-CG 3.65Å; I68-M128 HydrophobicContact CG2-SD 3.96Å; Q69-M128 HydrophobicContact CG-CE 4.2Å; Q69-M128 HydrophobicContact CG-SD 3.56Å; Q69-M128 VanDerWaalsContact CG-SD 3.56Å; L124-M128 WeakPolarHBondContact O-CB 3.19Å; L124-M128 VanDerWaalsContact O-CG 3.31Å; L124-M128 WeakPolarHBondContact O-CG 3Å; L124-M128 PolarHBondContact O-N 3.43Å; D125-M128 HydrophobicContact CB-CE 4.49Å; D125-M128 WeakPolarHBondContact OD1-CE 3.24Å; M128-Y130 VanDerWaalsContact C-N 3.31Å; M128-Y130 PolarHBondContact O-N 2.73Å; M128-I131 PolarHBondContact O-N 3.12Å; M128-M132 WeakPolarHBondContact O-CB 3.42Å; M128-M132 WeakPolarHBondContact O-CG 3.25Å; M128-M132 PolarHBondContact O-N 3.1Å
129	R	93.5	Very high	92.3	Very high	141 Å²	141	44.6 Å²	44.6	53%	0.532	20%	0.198	S	C	.	.	H	α-helix	trans	-58.7	-42	175.4	-78.9	-179.4	-79.3	155.4	-7	111.9	D125 D126 R133	D125-R129 WeakPolarHBondContact O-CB 3.37Å; D125-R129 WeakPolarHBondContact O-CG 3.25Å; D125-R129 PolarHBondContact O-N 2.82Å; D125-R129 PolarHBondContact O-NE 3Å; D125-R129 VanDerWaalsContact O-NE 3.15Å; D126-R129 PolarHBondContact O-N 3.49Å; D126-R129 IonicContact OD1-CZ 3.41Å; D126-R129 IonicContact OD1-NE 3.48Å; D126-R129 IonicContact OD1-NH1 3.02Å; D126-R129 PolarHBondContact OD1-NH1 3.33Å; D126-R129 IonicContact OD1-NH2 2.83Å; D126-R129 PolarHBondContact OD1-NH2 3.18Å; R129-R133 VanDerWaalsContact O-CB 3.28Å; R129-R133 WeakPolarHBondContact O-CB 3.25Å; R129-R133 PolarHBondContact O-N 2.96Å
130	Y	95.3	Very high	92.4	Very high	61 Å²	61	36.1 Å²	36.1	24%	0.239	17%	0.165	C	C	.	.	H	α-helix	trans	-61	-49	175.8	177.6	-91.7	0	0	0	112.1	F104 T109 L113 D126 L127 M128 R133 K134	F104-Y130 HydrophobicContact CD1-CD1 4.42Å; F104-Y130 HydrophobicContact CD1-CE1 4.1Å; T109-Y130 HydrophobicContact CG2-CD1 3.73Å; T109-Y130 HydrophobicContact CG2-CE1 3.4Å; T109-Y130 VanDerWaalsContact CG2-CE1 3.4Å; T109-Y130 HydrophobicContact CG2-CG 4.45Å; L113-Y130 HydrophobicContact CD1-CG 4.44Å; L113-Y130 HydrophobicContact CD2-CD2 4.09Å; L113-Y130 HydrophobicContact CD2-CG 4.23Å; D126-Y130 VanDerWaalsContact O-CB 3.23Å; D126-Y130 WeakPolarHBondContact O-CB 3.45Å; D126-Y130 PolarHBondContact O-N 3.44Å; L127-Y130 WeakPolarHBondContact O-CB 3.23Å; L127-Y130 PolarHBondContact O-N 3.08Å; M128-Y130 VanDerWaalsContact C-N 3.31Å; M128-Y130 PolarHBondContact O-N 2.73Å; Y130-R133 PolarHBondContact O-N 3.22Å; Y130-K134 HydrophobicContact CE1-CD 3.69Å; Y130-K134 HydrophobicContact CE2-CD 4.37Å; Y130-K134 WeakPolarHBondContact O-CB 3.47Å; Y130-K134 PolarHBondContact O-N 3Å; Y130-K134 WeakPolarHBondContact OH-CD 3.42Å; Y130-K134 PolarHBondContact OH-NZ 3.07Å
131	I	95.2	Very high	92.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.2	-47.2	-179.9	-69.1	168.4	0	0	0	110.4	M56 L61 I68 F104 F105 L127 M128 T135	M56-I131 HydrophobicContact CE-CG2 3.67Å; L61-I131 HydrophobicContact CD1-CG2 3.86Å; I68-I131 HydrophobicContact CD1-CD1 3.61Å; F104-I131 HydrophobicContact CB-CD1 4.3Å; F104-I131 HydrophobicContact CB-CG1 3.81Å; F104-I131 HydrophobicContact CD1-CB 4.49Å; F104-I131 HydrophobicContact CD1-CG1 4.12Å; F104-I131 HydrophobicContact CD1-CG2 4.5Å; F104-I131 HydrophobicContact CD2-CG2 4.49Å; F104-I131 HydrophobicContact CG-CG1 3.98Å; F104-I131 HydrophobicContact CG-CG2 4.42Å; F105-I131 HydrophobicContact CE2-CD1 3.98Å; F105-I131 HydrophobicContact CZ-CD1 4.19Å; L127-I131 HydrophobicContact CD1-CD1 3.92Å; L127-I131 HydrophobicContact CD1-CG1 4.26Å; L127-I131 HydrophobicContact CG-CD1 3.98Å; L127-I131 VanDerWaalsContact O-CG1 3.29Å; L127-I131 WeakPolarHBondContact O-CG1 3.47Å; L127-I131 PolarHBondContact O-N 2.97Å; M128-I131 PolarHBondContact O-N 3.12Å; I131-T135 VanDerWaalsContact O-CB 3.24Å; I131-T135 WeakPolarHBondContact O-CB 3.42Å; I131-T135 PolarHBondContact O-N 3.43Å; I131-T135 PolarHBondContact O-OG1 3.46Å
132	M	92.7	Very high	92.3	Very high	16 Å²	16	38.9 Å²	38.9	8%	0.079	17%	0.167	C	C	.	.	H	α-helix	trans	-60	-52.5	177.1	-75.8	169.1	45.6	0	0	111.7	A15 K16 P18 L61 I65 M128 K134 T135 W136	A15-M132 HydrophobicContact CB-CE 3.88Å; A15-M132 HydrophobicContact CB-SD 3.7Å; K16-M132 WeakPolarHBondContact O-CE 3.47Å; P18-M132 HydrophobicContact CG-CB 4.23Å; L61-M132 HydrophobicContact CD1-CG 4.36Å; I65-M132 HydrophobicContact CD1-CG 3.96Å; I65-M132 HydrophobicContact CD1-SD 4.26Å; I65-M132 HydrophobicContact CG1-CG 4.28Å; I65-M132 HydrophobicContact CG1-SD 4.47Å; M128-M132 WeakPolarHBondContact O-CB 3.42Å; M128-M132 WeakPolarHBondContact O-CG 3.25Å; M128-M132 PolarHBondContact O-N 3.1Å; M132-K134 VanDerWaalsContact C-N 3.35Å; M132-K134 PolarHBondContact O-N 3Å; M132-T135 PolarHBondContact O-N 3.43Å; M132-W136 WeakPolarHBondContact O-CB 3.25Å; M132-W136 PolarHBondContact O-N 3.24Å
133	R	92.2	Very high	92.1	Very high	110 Å²	110	38.9 Å²	38.9	42%	0.415	17%	0.167	S	C	.	.	H	α-helix	trans	-60.7	-45.2	-178.8	-177.9	60.2	175.3	174.9	0.6	111.1	R129 Y130 W136 L137 E217	R129-R133 VanDerWaalsContact O-CB 3.28Å; R129-R133 WeakPolarHBondContact O-CB 3.25Å; R129-R133 PolarHBondContact O-N 2.96Å; Y130-R133 PolarHBondContact O-N 3.22Å; R133-W136 VanDerWaalsContact NH1-CE3 3.33Å; R133-W136 PolarHBondContact O-N 3.05Å; R133-L137 HydrophobicContact CG-CD1 4.27Å; R133-L137 HydrophobicContact CG-CG 4.49Å; R133-L137 VanDerWaalsContact O-CG 3.25Å; R133-L137 WeakPolarHBondContact O-CG 3.34Å; R133-L137 PolarHBondContact O-N 3.06Å; R133-E217 IonicContact CZ-OE1 2.7Å; R133-E217 IonicContact NH1-OE1 3.09Å; R133-E217 PolarHBondContact NH1-OE1 3.5Å; R133-E217 IonicContact NH2-OE1 3.75Å
134	K	92.4	Very high	92.1	Very high	46 Å²	46	38.4 Å²	38.4	20%	0.2	16%	0.164	C	C	.	.	H	α-helix	trans	-71.7	-35	-177.3	-171.3	173.7	-172.9	-174.6	0	112.4	F104 Y130 M132 L137 Y138	F104-K134 HydrophobicContact CD1-CB 4.44Å; F104-K134 HydrophobicContact CD1-CD 4.02Å; F104-K134 HydrophobicContact CD1-CG 4.46Å; F104-K134 HydrophobicContact CE1-CB 3.82Å; F104-K134 HydrophobicContact CE1-CD 3.81Å; F104-K134 HydrophobicContact CE1-CG 3.79Å; Y130-K134 HydrophobicContact CE1-CD 3.69Å; Y130-K134 HydrophobicContact CE2-CD 4.37Å; Y130-K134 WeakPolarHBondContact O-CB 3.47Å; Y130-K134 PolarHBondContact O-N 3Å; Y130-K134 WeakPolarHBondContact OH-CD 3.42Å; Y130-K134 PolarHBondContact OH-NZ 3.07Å; M132-K134 VanDerWaalsContact C-N 3.35Å; M132-K134 PolarHBondContact O-N 3Å; K134-L137 PolarHBondContact O-N 3.43Å; K134-Y138 HydrophobicContact CD-CE2 4.09Å; K134-Y138 WeakPolarHBondContact CE-OH 2.98Å; K134-Y138 HydrophobicContact CG-CD2 4.04Å; K134-Y138 HydrophobicContact CG-CE2 3.51Å; K134-Y138 WeakPolarHBondContact O-CD2 3.43Å; K134-Y138 PolarHBondContact O-N 3.22Å; K134-Y138 VanDerWaalsContact O-N 3.07Å
135	T	92.2	Very high	92.1	Very high	0 Å²	0	39 Å²	39	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.4	-47.2	171.3	-58.8	0	0	0	0	110.9	M56 L61 F104 I131 M132 L137 Y138 Q139	M56-T135 WeakPolarHBondContact CE-OG1 3.48Å; L61-T135 HydrophobicContact CD2-CG2 4.25Å; F104-T135 WeakPolarHBondContact CZ-OG1 3.39Å; I131-T135 VanDerWaalsContact O-CB 3.24Å; I131-T135 WeakPolarHBondContact O-CB 3.42Å; I131-T135 PolarHBondContact O-N 3.43Å; I131-T135 PolarHBondContact O-OG1 3.46Å; M132-T135 PolarHBondContact O-N 3.43Å; T135-L137 PolarHBondContact O-N 3.08Å; T135-Y138 PolarHBondContact O-N 3.32Å; T135-Q139 WeakPolarHBondContact O-CG 3.44Å; T135-Q139 PolarHBondContact O-N 3.4Å
136	W	90	Very high	92	Very high	10 Å²	10	36.8 Å²	36.8	4%	0.038	16%	0.156	C	C	.	.	H	α-helix	trans	-58.4	-48.2	175	179.1	85.2	0	0	0	112	P18 M132 R133 Y138 Q139 M140 I211 E217	P18-W136 HydrophobicContact CB-CB 3.84Å; P18-W136 HydrophobicContact CB-CG 3.8Å; P18-W136 HydrophobicContact CG-CB 3.94Å; P18-W136 HydrophobicContact CG-CG 4.4Å; M132-W136 WeakPolarHBondContact O-CB 3.25Å; M132-W136 PolarHBondContact O-N 3.24Å; R133-W136 VanDerWaalsContact NH1-CE3 3.33Å; R133-W136 PolarHBondContact O-N 3.05Å; W136-Y138 VanDerWaalsContact C-N 3.32Å; W136-Y138 PolarHBondContact O-N 2.86Å; W136-Q139 PolarHBondContact O-N 3.1Å; W136-M140 HydrophobicContact CD2-CG 3.77Å; W136-M140 VanDerWaalsContact CE2-CG 3.41Å; W136-M140 HydrophobicContact CE3-CG 4.26Å; W136-M140 HydrophobicContact CG-CG 4.24Å; W136-M140 HydrophobicContact CH2-CG 4.15Å; W136-M140 HydrophobicContact CZ2-CG 3.64Å; W136-M140 HydrophobicContact CZ2-SD 4.41Å; W136-M140 HydrophobicContact CZ3-CG 4.42Å; W136-M140 WeakPolarHBondContact O-CB 3.35Å; W136-M140 WeakPolarHBondContact O-CG 3.16Å; W136-M140 PolarHBondContact O-N 2.79Å; W136-I211 HydrophobicContact CE3-CG2 4.47Å; W136-I211 HydrophobicContact CH2-CG2 4.01Å; W136-I211 HydrophobicContact CZ3-CG2 3.58Å; W136-E217 HydrophobicContact CH2-CG 4.49Å; W136-E217 WeakPolarHBondContact CH2-OE1 3.3Å; W136-E217 HydrophobicContact CZ2-CG 4.25Å
137	L	91.1	Very high	91.9	Very high	52 Å²	52	35.2 Å²	35.2	27%	0.272	15%	0.147	S	C	.	.	H	α-helix	trans	-55.2	-46.2	177.4	-73.8	172.9	0	0	0	111.7	R133 K134 T135 R141 I211	R133-L137 HydrophobicContact CG-CD1 4.27Å; R133-L137 HydrophobicContact CG-CG 4.49Å; R133-L137 VanDerWaalsContact O-CG 3.25Å; R133-L137 WeakPolarHBondContact O-CG 3.34Å; R133-L137 PolarHBondContact O-N 3.06Å; K134-L137 PolarHBondContact O-N 3.43Å; T135-L137 PolarHBondContact O-N 3.08Å; L137-R141 WeakPolarHBondContact O-CB 3.48Å; L137-R141 WeakPolarHBondContact O-CG 3.43Å; L137-R141 PolarHBondContact O-N 3.34Å; L137-I211 HydrophobicContact CD2-CG2 3.3Å
138	Y	90.6	Very high	91.6	Very high	82 Å²	82	35.5 Å²	35.5	32%	0.322	15%	0.148	S	C	.	.	H	α-helix	trans	-66.9	-41.9	179	-71.2	-48.9	0	0	0	112.7	M55 K134 T135 W136 R141 I142	M55-Y138 HydrophobicContact SD-CD2 3.67Å; M55-Y138 HydrophobicContact SD-CG 3.85Å; K134-Y138 HydrophobicContact CD-CE2 4.09Å; K134-Y138 WeakPolarHBondContact CE-OH 2.98Å; K134-Y138 HydrophobicContact CG-CD2 4.04Å; K134-Y138 HydrophobicContact CG-CE2 3.51Å; K134-Y138 WeakPolarHBondContact O-CD2 3.43Å; K134-Y138 PolarHBondContact O-N 3.22Å; K134-Y138 VanDerWaalsContact O-N 3.07Å; T135-Y138 PolarHBondContact O-N 3.32Å; W136-Y138 VanDerWaalsContact C-N 3.32Å; W136-Y138 PolarHBondContact O-N 2.86Å; Y138-R141 PolarHBondContact O-N 3.46Å; Y138-I142 WeakPolarHBondContact O-CD1 3.47Å; Y138-I142 VanDerWaalsContact O-CG1 3.26Å; Y138-I142 WeakPolarHBondContact O-CG1 3.33Å; Y138-I142 PolarHBondContact O-N 3.1Å
139	Q	88.9	Confident	91	Very high	21 Å²	21	38.9 Å²	38.9	10%	0.098	17%	0.169	C	C	.	.	H	α-helix	trans	-65.9	-43.9	178.9	-72.7	170.7	-18.5	0	0	111.6	M56 T135 W136 R141 I142 S143	M56-Q139 PolarHBondContact O-NE2 2.68Å; T135-Q139 WeakPolarHBondContact O-CG 3.44Å; T135-Q139 PolarHBondContact O-N 3.4Å; W136-Q139 PolarHBondContact O-N 3.1Å; Q139-R141 PolarHBondContact O-N 3.44Å; Q139-I142 PolarHBondContact O-N 2.86Å; Q139-S143 WeakPolarHBondContact O-CB 3.38Å; Q139-S143 PolarHBondContact O-N 3.28Å
140	M	90.5	Very high	90.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.1	-43.5	176.1	-69.5	-53.2	99.5	0	0	111.6	C21 W136 I142 S143 L144 I211 F220	C21-M140 HydrophobicContact CB-CE 4.47Å; W136-M140 HydrophobicContact CD2-CG 3.77Å; W136-M140 VanDerWaalsContact CE2-CG 3.41Å; W136-M140 HydrophobicContact CE3-CG 4.26Å; W136-M140 HydrophobicContact CG-CG 4.24Å; W136-M140 HydrophobicContact CH2-CG 4.15Å; W136-M140 HydrophobicContact CZ2-CG 3.64Å; W136-M140 HydrophobicContact CZ2-SD 4.41Å; W136-M140 HydrophobicContact CZ3-CG 4.42Å; W136-M140 WeakPolarHBondContact O-CB 3.35Å; W136-M140 WeakPolarHBondContact O-CG 3.16Å; W136-M140 PolarHBondContact O-N 2.79Å; M140-I142 VanDerWaalsContact C-N 3.31Å; M140-I142 PolarHBondContact O-N 3.03Å; M140-S143 PolarHBondContact O-N 3.32Å; M140-L144 WeakPolarHBondContact O-CB 3.27Å; M140-L144 WeakPolarHBondContact O-CG 3.34Å; M140-L144 PolarHBondContact O-N 3.28Å; M140-I211 HydrophobicContact CB-CD1 3.89Å; M140-I211 HydrophobicContact CB-CG1 4.05Å; M140-F220 HydrophobicContact SD-CE2 3.56Å; M140-F220 VanDerWaalsContact SD-CE2 3.56Å; M140-F220 HydrophobicContact SD-CZ 3.89Å
141	R	92.3	Very high	89.9	Confident	114 Å²	114	34.9 Å²	34.9	43%	0.43	18%	0.179	S	C	.	.	H	α-helix	trans	-58.9	-42.4	174.9	-74.3	176.7	72	-175.9	5.6	112.4	L137 Y138 Q139 A145 M208 I211	L137-R141 WeakPolarHBondContact O-CB 3.48Å; L137-R141 WeakPolarHBondContact O-CG 3.43Å; L137-R141 PolarHBondContact O-N 3.34Å; Y138-R141 PolarHBondContact O-N 3.46Å; Q139-R141 PolarHBondContact O-N 3.44Å; R141-A145 WeakPolarHBondContact O-CB 3.33Å; R141-A145 PolarHBondContact O-N 3.14Å; R141-A145 VanDerWaalsContact O-N 3.1Å; R141-M208 HydrophobicContact CG-SD 4.07Å; R141-M208 PolarHBondContact NE-SD 3Å; R141-I211 HydrophobicContact CB-CD1 4.09Å; R141-I211 HydrophobicContact CG-CD1 3.25Å
142	I	89.3	Confident	89.6	Confident	19 Å²	19	39.1 Å²	39.1	10%	0.097	21%	0.208	C	C	.	.	H	α-helix	trans	-68.8	-45.2	178.9	-69.3	164.7	0	0	0	110.5	L48 L51 M55 Y138 Q139 M140 A145 Q146	L48-I142 HydrophobicContact CB-CG2 4.44Å; L48-I142 HydrophobicContact CD2-CG2 4.44Å; L51-I142 HydrophobicContact CB-CD1 3.98Å; L51-I142 HydrophobicContact CB-CG1 4.35Å; M55-I142 HydrophobicContact CG-CD1 4.15Å; Y138-I142 WeakPolarHBondContact O-CD1 3.47Å; Y138-I142 VanDerWaalsContact O-CG1 3.26Å; Y138-I142 WeakPolarHBondContact O-CG1 3.33Å; Y138-I142 PolarHBondContact O-N 3.1Å; Q139-I142 PolarHBondContact O-N 2.86Å; M140-I142 VanDerWaalsContact C-N 3.31Å; M140-I142 PolarHBondContact O-N 3.03Å; I142-A145 PolarHBondContact O-N 3.46Å; I142-Q146 WeakPolarHBondContact O-CG 3.28Å; I142-Q146 PolarHBondContact O-N 3.27Å
143	S	89.3	Confident	89.6	Confident	3 Å²	3	39.9 Å²	39.9	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-58	-55.8	179.2	-175.4	0	0	0	0	111.1	Q139 M140 A145 Q146 Y147	Q139-S143 WeakPolarHBondContact O-CB 3.38Å; Q139-S143 PolarHBondContact O-N 3.28Å; M140-S143 PolarHBondContact O-N 3.32Å; S143-A145 VanDerWaalsContact C-N 3.3Å; S143-A145 PolarHBondContact O-N 2.92Å; S143-Q146 VanDerWaalsContact O-CB 3.28Å; S143-Q146 WeakPolarHBondContact O-CB 3.47Å; S143-Q146 WeakPolarHBondContact O-CG 3.19Å; S143-Q146 PolarHBondContact O-N 3.32Å; S143-Q146 VanDerWaalsContact O-N 3.08Å; S143-Y147 WeakPolarHBondContact O-CD2 3.22Å
144	L	93.2	Very high	89.7	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.6	-36.4	179.5	-69.7	164.9	0	0	0	112.3	M140 Q146 Y147 D148 L155 Y163 I207 L210 I211 L216	M140-L144 WeakPolarHBondContact O-CB 3.27Å; M140-L144 WeakPolarHBondContact O-CG 3.34Å; M140-L144 PolarHBondContact O-N 3.28Å; L144-Q146 PolarHBondContact O-N 2.78Å; L144-Q146 VanDerWaalsContact O-N 3.12Å; L144-Y147 PolarHBondContact O-N 3.42Å; L144-D148 PolarHBondContact O-N 3.28Å; L144-L155 HydrophobicContact CB-CD1 4.24Å; L144-L155 HydrophobicContact CD2-CD1 3.84Å; L144-Y163 HydrophobicContact CD2-CD1 4.13Å; L144-Y163 HydrophobicContact CD2-CD2 4.17Å; L144-Y163 HydrophobicContact CD2-CE1 3.81Å; L144-Y163 HydrophobicContact CD2-CE2 3.85Å; L144-Y163 HydrophobicContact CD2-CG 4.28Å; L144-I207 HydrophobicContact CB-CD1 4.44Å; L144-I207 HydrophobicContact CB-CG1 4.38Å; L144-I207 HydrophobicContact CB-CG2 3.9Å; L144-I207 HydrophobicContact CD1-CG2 4.02Å; L144-L210 HydrophobicContact CD1-CD2 3.78Å; L144-L210 HydrophobicContact CD1-CG 4.43Å; L144-L210 HydrophobicContact CD2-CD2 3.65Å; L144-L210 HydrophobicContact CG-CD2 4.34Å; L144-I211 HydrophobicContact CD1-CD1 3.89Å; L144-I211 HydrophobicContact CD1-CG1 3.64Å; L144-L216 HydrophobicContact CD1-CD1 3.92Å
145	A	91.9	Very high	89.9	Confident	13 Å²	13	35.6 Å²	35.6	11%	0.107	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-11.1	177.5	0	0	0	0	0	114.5	Q44 L48 R141 I142 S143 Y147 I207	Q44-A145 PolarHBondContact NE2-O 3.11Å; L48-A145 HydrophobicContact CD1-CB 4.22Å; L48-A145 WeakPolarHBondContact CD1-O 3.16Å; L48-A145 HydrophobicContact CD2-CB 3.8Å; R141-A145 WeakPolarHBondContact O-CB 3.33Å; R141-A145 PolarHBondContact O-N 3.14Å; R141-A145 VanDerWaalsContact O-N 3.1Å; I142-A145 PolarHBondContact O-N 3.46Å; S143-A145 VanDerWaalsContact C-N 3.3Å; S143-A145 PolarHBondContact O-N 2.92Å; A145-Y147 VanDerWaalsContact C-N 3.29Å; A145-I207 HydrophobicContact CB-CD1 4.32Å
146	Q	88.5	Confident	90	Very high	29 Å²	29	37.5 Å²	37.5	14%	0.136	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-27.7	170.7	-61.1	175.6	14.7	0	0	111.8	T23 W25 R27 L48 I142 S143 L144	T23-Q146 PolarHBondContact OG1-OE1 2.87Å; T23-Q146 VanDerWaalsContact OG1-OE1 3.04Å; W25-Q146 HydrophobicContact CZ3-CG 4.29Å; R27-Q146 PolarHBondContact NE-O 2.86Å; R27-Q146 VanDerWaalsContact NE-O 3.17Å; R27-Q146 PolarHBondContact NH2-O 3.38Å; L48-Q146 HydrophobicContact CD1-CB 4.5Å; L48-Q146 HydrophobicContact CD1-CG 3.94Å; I142-Q146 WeakPolarHBondContact O-CG 3.28Å; I142-Q146 PolarHBondContact O-N 3.27Å; S143-Q146 VanDerWaalsContact O-CB 3.28Å; S143-Q146 WeakPolarHBondContact O-CB 3.47Å; S143-Q146 WeakPolarHBondContact O-CG 3.19Å; S143-Q146 PolarHBondContact O-N 3.32Å; S143-Q146 VanDerWaalsContact O-N 3.08Å; L144-Q146 PolarHBondContact O-N 2.78Å; L144-Q146 VanDerWaalsContact O-N 3.12Å
147	Y	90.8	Very high	90.3	Very high	16 Å²	16	39.1 Å²	39.1	6%	0.063	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-20.1	179.4	-61.5	-90.4	0	0	0	112.1	T23 S143 L144 A145 V149 D159 L162 Y163 D166	T23-Y147 WeakPolarHBondContact CB-OH 3.27Å; T23-Y147 HydrophobicContact CG2-CE2 4.05Å; T23-Y147 WeakPolarHBondContact CG2-OH 3.31Å; S143-Y147 WeakPolarHBondContact O-CD2 3.22Å; L144-Y147 PolarHBondContact O-N 3.42Å; A145-Y147 VanDerWaalsContact C-N 3.29Å; Y147-V149 VanDerWaalsContact C-N 3.34Å; Y147-V149 PolarHBondContact O-N 3Å; Y147-D159 VanDerWaalsContact O-CG 3.27Å; Y147-D159 VanDerWaalsContact O-OD1 3.11Å; Y147-L162 HydrophobicContact CD1-CB 4Å; Y147-L162 HydrophobicContact CE1-CB 4.24Å; Y147-Y163 AromaticContact CD2-CD2 3.84Å; Y147-Y163 HydrophobicContact CD2-CD2 3.84Å; Y147-Y163 HydrophobicContact CD2-CG 4.43Å; Y147-Y163 VanDerWaalsContact CE1-CA 3.46Å; Y147-Y163 AromaticContact CE2-CD2 3.52Å; Y147-Y163 HydrophobicContact CE2-CD2 3.52Å; Y147-Y163 HydrophobicContact CE2-CE2 4.34Å; Y147-Y163 HydrophobicContact CE2-CG 4.39Å; Y147-Y163 HydrophobicContact CG-CD2 4.48Å; Y147-Y163 AromaticContact CZ-CD2 3.89Å; Y147-D166 WeakPolarHBondContact OH-CB 3.42Å; Y147-D166 PolarHBondContact OH-OD2 2.82Å; Y147-D166 VanDerWaalsContact OH-OD2 3.1Å
148	D	90.3	Very high	90.5	Very high	5 Å²	5	40.1 Å²	40.1	3%	0.027	23%	0.234	C	C	.	.			trans	-68.4	86.9	174.4	177.8	9.6	0	0	0	111.6	Q44 L144 S150 G151 C152 G153 W154 L155 I207	Q44-D148 PolarHBondContact NE2-O 2.99Å; L144-D148 PolarHBondContact O-N 3.28Å; D148-S150 PolarHBondContact O-N 3.47Å; D148-S150 PolarHBondContact OD1-N 3.22Å; D148-S150 VanDerWaalsContact OD1-N 3.13Å; D148-S150 PolarHBondContact OD1-OG 3.06Å; D148-G151 VanDerWaalsContact CG-N 3.32Å; D148-G151 PolarHBondContact O-N 3.09Å; D148-G151 PolarHBondContact OD1-N 3.42Å; D148-G151 VanDerWaalsContact OD2-CA 3.3Å; D148-G151 WeakPolarHBondContact OD2-CA 3.46Å; D148-G151 PolarHBondContact OD2-N 3.43Å; D148-C152 PolarHBondContact OD1-N 3.42Å; D148-C152 PolarHBondContact OD2-N 3.39Å; D148-G153 WeakPolarHBondContact OD2-CA 3.42Å; D148-G153 PolarHBondContact OD2-N 3.26Å; D148-W154 VanDerWaalsContact CG-O 3.23Å; D148-W154 VanDerWaalsContact OD1-O 3.1Å; D148-L155 HydrophobicContact CB-CD2 3.84Å; D148-I207 HydrophobicContact CB-CD1 4.13Å
149	V	80.7	Confident	90.7	Very high	79 Å²	79	37 Å²	37	48%	0.479	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-31.5	177.2	179.7	0	0	0	0	111.3	R27 Y147 D159	R27-V149 VanDerWaalsContact NH2-CG2 3.3Å; Y147-V149 VanDerWaalsContact C-N 3.34Å; Y147-V149 PolarHBondContact O-N 3Å; V149-D159 VanDerWaalsContact CG2-OD1 3.3Å; V149-D159 WeakPolarHBondContact CG2-OD1 3.43Å
150	S	82.4	Confident	91.1	Very high	73 Å²	73	36 Å²	36	51%	0.51	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-26.6	-178	76.8	0	0	0	0	113.1	D148 C152	D148-S150 PolarHBondContact O-N 3.47Å; D148-S150 PolarHBondContact OD1-N 3.22Å; D148-S150 VanDerWaalsContact OD1-N 3.13Å; D148-S150 PolarHBondContact OD1-OG 3.06Å; S150-C152 PolarHBondContact O-N 3.07Å; S150-C152 WeakPolarHBondContact OG-CB 3.2Å; S150-C152 PolarHBondContact OG-N 3.17Å; S150-C152 VanDerWaalsContact OG-N 3.16Å
151	G	83.7	Confident	91.4	Very high	45 Å²	45	38.3 Å²	38.3	46%	0.464	23%	0.23	S	C	.	.	S	Bend	trans	68	15.4	-170.9	0	0	0	0	0	113.9	D148	D148-G151 VanDerWaalsContact CG-N 3.32Å; D148-G151 PolarHBondContact O-N 3.09Å; D148-G151 PolarHBondContact OD1-N 3.42Å; D148-G151 VanDerWaalsContact OD2-CA 3.3Å; D148-G151 WeakPolarHBondContact OD2-CA 3.46Å; D148-G151 PolarHBondContact OD2-N 3.43Å
152	C	88	Confident	91.4	Very high	89 Å²	89	37.5 Å²	37.5	60%	0.601	23%	0.233	S	C	*	.	S	Bend	trans	-94.2	-0.1	-174.8	-64.3	0	0	0	0	114.3	D148 S150 W154	D148-C152 PolarHBondContact OD1-N 3.42Å; D148-C152 PolarHBondContact OD2-N 3.39Å; S150-C152 PolarHBondContact O-N 3.07Å; S150-C152 WeakPolarHBondContact OG-CB 3.2Å; S150-C152 PolarHBondContact OG-N 3.17Å; S150-C152 VanDerWaalsContact OG-N 3.16Å; C152-W154 VanDerWaalsContact O-CD1 3.24Å
153	G	92.3	Very high	91.7	Very high	31 Å²	31	36.6 Å²	36.6	32%	0.32	23%	0.228	S	C	.	.	S	Bend	trans	84.9	20.1	-176.3	0	0	0	0	0	114.3	D148 I207	D148-G153 WeakPolarHBondContact OD2-CA 3.42Å; D148-G153 PolarHBondContact OD2-N 3.26Å; G153-I207 PolarHBondContact O-N 2.87Å
154	W	94.9	Very high	92	Very high	65 Å²	65	36.5 Å²	36.5	25%	0.246	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	150.2	-179	-61.8	80.8	0	0	0	110.2	D148 C152 R204 V205 R206	D148-W154 VanDerWaalsContact CG-O 3.23Å; D148-W154 VanDerWaalsContact OD1-O 3.1Å; C152-W154 VanDerWaalsContact O-CD1 3.24Å; W154-R204 HydrophobicContact CD2-CG 4.36Å; W154-R204 HydrophobicContact CE3-CB 4.24Å; W154-R204 HydrophobicContact CE3-CG 3.67Å; W154-R204 HydrophobicContact CZ3-CG 4.17Å; W154-V205 CarbonylContact C-O 3.59Å; W154-V205 WeakPolarHBondContact CA-O 3.44Å; W154-R206 HydrophobicContact CD2-CG 3.66Å; W154-R206 HydrophobicContact CE3-CB 4.3Å; W154-R206 HydrophobicContact CE3-CG 3.43Å; W154-R206 VanDerWaalsContact CE3-CG 3.43Å; W154-R206 VanDerWaalsContact CH2-CD 3.49Å; W154-R206 HydrophobicContact CH2-CG 3.17Å; W154-R206 VanDerWaalsContact CZ2-CD 3.47Å; W154-R206 HydrophobicContact CZ2-CG 3.38Å; W154-R206 HydrophobicContact CZ3-CB 4.36Å; W154-R206 HydrophobicContact CZ3-CG 3.2Å
155	L	96.1	Very high	92.1	Very high	1 Å²	1	39 Å²	39	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	125.2	170.2	-60.4	179	0	0	0	108.4	L144 D148 D159 L160 R204 V205 I207 L210	L144-L155 HydrophobicContact CB-CD1 4.24Å; L144-L155 HydrophobicContact CD2-CD1 3.84Å; D148-L155 HydrophobicContact CB-CD2 3.84Å; L155-D159 HydrophobicContact CB-CB 4.08Å; L155-D159 HydrophobicContact CD2-CB 3.98Å; L155-L160 HydrophobicContact CB-CD2 4.07Å; L155-L160 HydrophobicContact CB-CG 3.97Å; L155-L160 HydrophobicContact CD1-CD2 3.76Å; L155-R204 CarbonylContact O-C 3.57Å; L155-R204 WeakPolarHBondContact O-CA 3.34Å; L155-R204 WeakPolarHBondContact O-CB 3.43Å; L155-V205 PolarHBondContact N-O 2.77Å; L155-V205 PolarHBondContact O-N 3.21Å; L155-I207 HydrophobicContact CD1-CG1 4.27Å; L155-I207 HydrophobicContact CD2-CD1 4.41Å; L155-I207 HydrophobicContact CD2-CG1 4.42Å; L155-I207 HydrophobicContact CG-CD1 4.44Å; L155-I207 HydrophobicContact CG-CG1 3.92Å; L155-L210 HydrophobicContact CD1-CD2 4.1Å
156	S	95.4	Very high	92.1	Very high	40 Å²	40	40.6 Å²	40.6	28%	0.28	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	170.2	168.3	65	0	0	0	0	111.1	S158 D159 L160 G203	S156-S158 VanDerWaalsContact C-N 3.29Å; S156-S158 PolarHBondContact O-N 3.03Å; S156-D159 WeakPolarHBondContact CB-OD2 3.32Å; S156-D159 PolarHBondContact N-OD2 2.95Å; S156-D159 PolarHBondContact O-N 3.19Å; S156-D159 PolarHBondContact OG-N 3.09Å; S156-D159 PolarHBondContact OG-OD2 2.8Å; S156-L160 WeakPolarHBondContact O-CG 3.36Å; S156-L160 PolarHBondContact O-N 2.89Å; S156-G203 WeakPolarHBondContact CA-O 3.38Å
157	E	95.6	Very high	92.3	Very high	44 Å²	44	39.4 Å²	39.4	21%	0.206	24%	0.244	C	C	.	.	H	α-helix	trans	-52.5	-47.4	170.8	-79.1	-173.8	-144	0	0	111.7	D159 L160 E161 V190 V194 G203 R297	E157-D159 VanDerWaalsContact C-N 3.32Å; E157-D159 PolarHBondContact O-N 3.15Å; E157-L160 CarbonylContact O-C 3.58Å; E157-L160 WeakPolarHBondContact O-CB 3.44Å; E157-L160 PolarHBondContact O-N 3.07Å; E157-L160 VanDerWaalsContact O-N 3.13Å; E157-E161 WeakPolarHBondContact O-CG 3.5Å; E157-E161 PolarHBondContact O-N 2.83Å; E157-V190 HydrophobicContact CB-CG1 4.29Å; E157-V190 HydrophobicContact CG-CG1 4.17Å; E157-V194 HydrophobicContact CG-CG1 4.44Å; E157-V194 HydrophobicContact CG-CG2 3.71Å; E157-G203 PolarHBondContact N-O 2.73Å; E157-R297 IonicContact OE2-CZ 3.4Å; E157-R297 IonicContact OE2-NH2 3.88Å; E157-R297 PolarHBondContact OE2-NH2 2.87Å
158	S	95.4	Very high	92.3	Very high	73 Å²	73	39.3 Å²	39.3	51%	0.51	25%	0.245	S	C	.	.	H	α-helix	trans	-64.3	-34.1	179.1	-55	0	0	0	0	113.3	S156 L160 E161 L162	S156-S158 VanDerWaalsContact C-N 3.29Å; S156-S158 PolarHBondContact O-N 3.03Å; S158-L160 VanDerWaalsContact C-N 3.34Å; S158-E161 PolarHBondContact O-N 3.48Å; S158-L162 WeakPolarHBondContact O-CG 3.48Å; S158-L162 PolarHBondContact O-N 2.79Å; S158-L162 VanDerWaalsContact O-N 3.11Å
159	D	95.3	Very high	92.3	Very high	16 Å²	16	43.6 Å²	43.6	9%	0.086	27%	0.273	C	S	.	.	H	α-helix	trans	-67.8	-38.2	175.4	-57.9	-43.5	0	0	0	111	Y147 V149 L155 S156 E157 Y163	Y147-D159 VanDerWaalsContact O-CG 3.27Å; Y147-D159 VanDerWaalsContact O-OD1 3.11Å; V149-D159 VanDerWaalsContact CG2-OD1 3.3Å; V149-D159 WeakPolarHBondContact CG2-OD1 3.43Å; L155-D159 HydrophobicContact CB-CB 4.08Å; L155-D159 HydrophobicContact CD2-CB 3.98Å; S156-D159 WeakPolarHBondContact CB-OD2 3.32Å; S156-D159 PolarHBondContact N-OD2 2.95Å; S156-D159 PolarHBondContact O-N 3.19Å; S156-D159 PolarHBondContact OG-N 3.09Å; S156-D159 PolarHBondContact OG-OD2 2.8Å; E157-D159 VanDerWaalsContact C-N 3.32Å; E157-D159 PolarHBondContact O-N 3.15Å; D159-Y163 WeakPolarHBondContact O-CB 3.47Å; D159-Y163 PolarHBondContact O-N 3.21Å
160	L	96.6	Very high	92.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-69.3	-39.8	174.7	-70.3	170.1	0	0	0	111.6	L155 S156 E157 S158 L162 Y163 I164 V190 F193 V194 V205 L210	L155-L160 HydrophobicContact CB-CD2 4.07Å; L155-L160 HydrophobicContact CB-CG 3.97Å; L155-L160 HydrophobicContact CD1-CD2 3.76Å; S156-L160 WeakPolarHBondContact O-CG 3.36Å; S156-L160 PolarHBondContact O-N 2.89Å; E157-L160 CarbonylContact O-C 3.58Å; E157-L160 WeakPolarHBondContact O-CB 3.44Å; E157-L160 PolarHBondContact O-N 3.07Å; E157-L160 VanDerWaalsContact O-N 3.13Å; S158-L160 VanDerWaalsContact C-N 3.34Å; L160-L162 VanDerWaalsContact C-N 3.32Å; L160-L162 PolarHBondContact O-N 3.41Å; L160-Y163 WeakPolarHBondContact O-CB 3.36Å; L160-Y163 PolarHBondContact O-N 3.29Å; L160-I164 WeakPolarHBondContact O-CG1 3.49Å; L160-I164 PolarHBondContact O-N 2.69Å; L160-V190 HydrophobicContact CB-CG1 4.01Å; L160-V190 HydrophobicContact CB-CG2 3.99Å; L160-V190 HydrophobicContact CD1-CG1 4.39Å; L160-F193 HydrophobicContact CD1-CB 4.15Å; L160-V194 HydrophobicContact CD1-CG2 3.87Å; L160-V205 HydrophobicContact CD1-CG2 4.36Å; L160-L210 HydrophobicContact CD2-CD2 4.1Å
161	E	96.4	Very high	93	Very high	50 Å²	50	38.8 Å²	38.8	23%	0.234	24%	0.241	C	C	.	.	H	α-helix	trans	-57.5	-45.9	174.9	-72.7	175.1	172.5	0	0	110.9	E157 S158 I164 T165 I186 V190 R297	E157-E161 WeakPolarHBondContact O-CG 3.5Å; E157-E161 PolarHBondContact O-N 2.83Å; S158-E161 PolarHBondContact O-N 3.48Å; E161-I164 PolarHBondContact O-N 2.92Å; E161-T165 WeakPolarHBondContact O-CB 3.49Å; E161-T165 PolarHBondContact O-N 3.34Å; E161-T165 PolarHBondContact O-OG1 2.97Å; E161-I186 HydrophobicContact CB-CG2 3.96Å; E161-I186 HydrophobicContact CG-CG2 3.81Å; E161-V190 HydrophobicContact CB-CG2 4.41Å; E161-V190 HydrophobicContact CG-CB 4.45Å; E161-V190 HydrophobicContact CG-CG1 4.4Å; E161-V190 HydrophobicContact CG-CG2 3.79Å; E161-R297 IonicContact OE1-CZ 3.93Å; E161-R297 IonicContact OE1-NH1 2.6Å; E161-R297 PolarHBondContact OE1-NH1 2.96Å; E161-R297 IonicContact OE1-NH2 3.1Å; E161-R297 PolarHBondContact OE1-NH2 3.24Å
162	L	94.1	Very high	93.1	Very high	96 Å²	96	40.2 Å²	40.2	50%	0.503	24%	0.242	S	C	.	.	H	α-helix	trans	-61.7	-45.9	174.5	-70.4	173.8	0	0	0	112	Y147 S158 L160 I164 T165 D166	Y147-L162 HydrophobicContact CD1-CB 4Å; Y147-L162 HydrophobicContact CE1-CB 4.24Å; S158-L162 WeakPolarHBondContact O-CG 3.48Å; S158-L162 PolarHBondContact O-N 2.79Å; S158-L162 VanDerWaalsContact O-N 3.11Å; L160-L162 VanDerWaalsContact C-N 3.32Å; L160-L162 PolarHBondContact O-N 3.41Å; L162-I164 PolarHBondContact O-N 2.71Å; L162-T165 WeakPolarHBondContact O-CB 3.18Å; L162-T165 PolarHBondContact O-N 2.7Å; L162-D166 PolarHBondContact O-N 3.3Å
163	Y	94.9	Very high	93	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.1	-46.4	178.7	172.3	-112.6	0	0	0	112.7	T23 L144 Y147 D159 L160 D166 L167 L216 L219 F220	T23-Y163 HydrophobicContact CG2-CE2 4.4Å; L144-Y163 HydrophobicContact CD2-CD1 4.13Å; L144-Y163 HydrophobicContact CD2-CD2 4.17Å; L144-Y163 HydrophobicContact CD2-CE1 3.81Å; L144-Y163 HydrophobicContact CD2-CE2 3.85Å; L144-Y163 HydrophobicContact CD2-CG 4.28Å; Y147-Y163 AromaticContact CD2-CD2 3.84Å; Y147-Y163 HydrophobicContact CD2-CD2 3.84Å; Y147-Y163 HydrophobicContact CD2-CG 4.43Å; Y147-Y163 VanDerWaalsContact CE1-CA 3.46Å; Y147-Y163 AromaticContact CE2-CD2 3.52Å; Y147-Y163 HydrophobicContact CE2-CD2 3.52Å; Y147-Y163 HydrophobicContact CE2-CE2 4.34Å; Y147-Y163 HydrophobicContact CE2-CG 4.39Å; Y147-Y163 HydrophobicContact CG-CD2 4.48Å; Y147-Y163 AromaticContact CZ-CD2 3.89Å; D159-Y163 WeakPolarHBondContact O-CB 3.47Å; D159-Y163 PolarHBondContact O-N 3.21Å; L160-Y163 WeakPolarHBondContact O-CB 3.36Å; L160-Y163 PolarHBondContact O-N 3.29Å; Y163-D166 PolarHBondContact O-N 3.46Å; Y163-L167 HydrophobicContact CD1-CD1 4.16Å; Y163-L167 HydrophobicContact CD2-CD1 4.36Å; Y163-L167 HydrophobicContact CD2-CG 4.43Å; Y163-L167 HydrophobicContact CE1-CD1 3.54Å; Y163-L167 HydrophobicContact CE2-CD1 3.78Å; Y163-L167 HydrophobicContact CE2-CD2 4.46Å; Y163-L167 HydrophobicContact CE2-CG 4.07Å; Y163-L167 WeakPolarHBondContact O-CG 3.28Å; Y163-L167 PolarHBondContact O-N 3.43Å; Y163-L167 VanDerWaalsContact O-N 3.16Å; Y163-L216 HydrophobicContact CE1-CD2 4.17Å; Y163-L219 HydrophobicContact CE1-CD2 4.44Å; Y163-F220 WeakPolarHBondContact OH-CZ 3.02Å
164	I	95.5	Very high	92.9	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.01	20%	0.199	C	C	.	.	H	α-helix	trans	-66.8	-42.5	178.1	-62.8	-58.1	0	0	0	110.8	L160 E161 L162 D166 L167 I168 Y185 I186 A189 V190 F193 L219	L160-I164 WeakPolarHBondContact O-CG1 3.49Å; L160-I164 PolarHBondContact O-N 2.69Å; E161-I164 PolarHBondContact O-N 2.92Å; L162-I164 PolarHBondContact O-N 2.71Å; I164-D166 VanDerWaalsContact C-N 3.29Å; I164-D166 PolarHBondContact O-N 3.09Å; I164-L167 PolarHBondContact O-N 3.18Å; I164-I168 HydrophobicContact CG2-CD1 4.11Å; I164-I168 HydrophobicContact CG2-CG1 4.37Å; I164-I168 WeakPolarHBondContact O-CG1 3.47Å; I164-I168 PolarHBondContact O-N 3.45Å; I164-I168 VanDerWaalsContact O-N 3.07Å; I164-Y185 HydrophobicContact CG2-CE1 4.1Å; I164-I186 HydrophobicContact CG2-CG1 4.37Å; I164-A189 HydrophobicContact CG1-CB 4.4Å; I164-A189 HydrophobicContact CG2-CB 4.03Å; I164-V190 HydrophobicContact CG1-CG2 4.22Å; I164-F193 HydrophobicContact CD1-CE2 3.88Å; I164-L219 HydrophobicContact CD1-CD2 3.57Å
165	T	94.8	Very high	92.6	Very high	52 Å²	52	34.4 Å²	34.4	32%	0.319	21%	0.211	S	C	.	.	H	α-helix	trans	-54.7	-45.8	176.2	-58.3	0	0	0	0	111.7	E161 L162 L167 P169 I186	E161-T165 WeakPolarHBondContact O-CB 3.49Å; E161-T165 PolarHBondContact O-N 3.34Å; E161-T165 PolarHBondContact O-OG1 2.97Å; L162-T165 WeakPolarHBondContact O-CB 3.18Å; L162-T165 PolarHBondContact O-N 2.7Å; T165-L167 VanDerWaalsContact C-N 3.31Å; T165-L167 PolarHBondContact O-N 3.48Å; T165-P169 VanDerWaalsContact O-CD 3.28Å; T165-P169 WeakPolarHBondContact O-CD 3.42Å; T165-I186 VanDerWaalsContact OG1-CD1 3.31Å; T165-I186 WeakPolarHBondContact OG1-CD1 3.38Å
166	D	92.2	Very high	92.1	Very high	47 Å²	47	38.9 Å²	38.9	25%	0.251	24%	0.242	S	C	.	.	H	α-helix	trans	-72.6	-23.3	180	-76.6	-13.4	0	0	0	113.3	Y147 L162 Y163 I164	Y147-D166 WeakPolarHBondContact OH-CB 3.42Å; Y147-D166 PolarHBondContact OH-OD2 2.82Å; Y147-D166 VanDerWaalsContact OH-OD2 3.1Å; L162-D166 PolarHBondContact O-N 3.3Å; Y163-D166 PolarHBondContact O-N 3.46Å; I164-D166 VanDerWaalsContact C-N 3.29Å; I164-D166 PolarHBondContact O-N 3.09Å
167	L	92.1	Very high	91.8	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.021	23%	0.234	C	C	.	.	H	α-helix	trans	-79.9	-34.2	177	-79.1	-176.5	0	0	0	113.6	T23 Y163 I164 T165 T170 M171 L219 F220	T23-L167 HydrophobicContact CG2-CD2 4.34Å; Y163-L167 HydrophobicContact CD1-CD1 4.16Å; Y163-L167 HydrophobicContact CD2-CD1 4.36Å; Y163-L167 HydrophobicContact CD2-CG 4.43Å; Y163-L167 HydrophobicContact CE1-CD1 3.54Å; Y163-L167 HydrophobicContact CE2-CD1 3.78Å; Y163-L167 HydrophobicContact CE2-CD2 4.46Å; Y163-L167 HydrophobicContact CE2-CG 4.07Å; Y163-L167 WeakPolarHBondContact O-CG 3.28Å; Y163-L167 PolarHBondContact O-N 3.43Å; Y163-L167 VanDerWaalsContact O-N 3.16Å; I164-L167 PolarHBondContact O-N 3.18Å; T165-L167 VanDerWaalsContact C-N 3.31Å; T165-L167 PolarHBondContact O-N 3.48Å; L167-T170 WeakPolarHBondContact O-CA 3.24Å; L167-T170 WeakPolarHBondContact O-CB 3.02Å; L167-T170 PolarHBondContact O-N 2.94Å; L167-T170 PolarHBondContact O-OG1 3.4Å; L167-M171 HydrophobicContact CB-CE 4.22Å; L167-M171 HydrophobicContact CD1-CE 4.2Å; L167-L219 HydrophobicContact CD1-CD2 3.85Å; L167-F220 HydrophobicContact CD1-CE1 3.97Å; L167-F220 HydrophobicContact CD2-CE1 4.22Å
168	I	92.4	Very high	91.7	Very high	13 Å²	13	42.7 Å²	42.7	7%	0.067	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-50.6	-48.8	-174.6	-75.8	164.9	0	0	0	112.9	I164 T170 M171 L174 M177 L182 Y185 I186	I164-I168 HydrophobicContact CG2-CD1 4.11Å; I164-I168 HydrophobicContact CG2-CG1 4.37Å; I164-I168 WeakPolarHBondContact O-CG1 3.47Å; I164-I168 PolarHBondContact O-N 3.45Å; I164-I168 VanDerWaalsContact O-N 3.07Å; I168-T170 PolarHBondContact O-N 2.92Å; I168-M171 PolarHBondContact O-N 3.45Å; I168-M171 VanDerWaalsContact O-N 3.08Å; I168-L174 HydrophobicContact CG1-CB 4.46Å; I168-L174 HydrophobicContact CG1-CD1 4.15Å; I168-L174 HydrophobicContact CG2-CB 4.02Å; I168-M177 HydrophobicContact CD1-CE 4.26Å; I168-L182 HydrophobicContact CD1-CD1 3.37Å; I168-L182 HydrophobicContact CG2-CD1 4.46Å; I168-Y185 HydrophobicContact CD1-CD1 3.71Å; I168-Y185 HydrophobicContact CD1-CE1 3.8Å; I168-Y185 HydrophobicContact CG1-CD1 4.36Å; I168-Y185 HydrophobicContact CG1-CE1 3.97Å; I168-I186 HydrophobicContact CD1-CG1 4Å
169	P	90.1	Very high	91.6	Very high	96 Å²	96	46.8 Å²	46.8	62%	0.623	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-62.6	-18.2	179.1	-23.4	34.3	0	0	0	114.4	T165	T165-P169 VanDerWaalsContact O-CD 3.28Å; T165-P169 WeakPolarHBondContact O-CD 3.42Å
170	T	88.2	Confident	91.5	Very high	50 Å²	50	52.8 Å²	52.8	31%	0.307	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-90.9	-1.5	-179	79.4	0	0	0	0	113.4	L167 I168 R223	L167-T170 WeakPolarHBondContact O-CA 3.24Å; L167-T170 WeakPolarHBondContact O-CB 3.02Å; L167-T170 PolarHBondContact O-N 2.94Å; L167-T170 PolarHBondContact O-OG1 3.4Å; I168-T170 PolarHBondContact O-N 2.92Å; T170-R223 VanDerWaalsContact CB-NH2 3.34Å; T170-R223 PolarHBondContact O-NE 2.94Å; T170-R223 PolarHBondContact OG1-NH2 3.43Å
171	M	89	Confident	91.5	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	30%	0.299	C	S	.	.			trans	-117.7	106.9	-178.8	-66.4	174.5	179.6	0	0	108.1	L167 I168 A173 L174 A175 L219 F220 L222 R223	L167-M171 HydrophobicContact CB-CE 4.22Å; L167-M171 HydrophobicContact CD1-CE 4.2Å; I168-M171 PolarHBondContact O-N 3.45Å; I168-M171 VanDerWaalsContact O-N 3.08Å; M171-A173 HydrophobicContact CB-CB 4.47Å; M171-A173 PolarHBondContact O-N 3.09Å; M171-A173 VanDerWaalsContact O-N 3.12Å; M171-L174 HydrophobicContact CB-CB 4.29Å; M171-L174 HydrophobicContact CB-CD1 4.13Å; M171-L174 HydrophobicContact CB-CG 4.19Å; M171-L174 PolarHBondContact O-N 3.44Å; M171-L174 HydrophobicContact SD-CD1 3.6Å; M171-A175 WeakPolarHBondContact O-CB 3.32Å; M171-A175 PolarHBondContact O-N 3.38Å; M171-L219 HydrophobicContact CE-CD1 4.13Å; M171-L219 HydrophobicContact CE-CG 3.94Å; M171-L219 WeakPolarHBondContact CE-O 3.36Å; M171-L219 HydrophobicContact SD-CD1 4.31Å; M171-F220 HydrophobicContact CE-CD1 3.8Å; M171-F220 HydrophobicContact CE-CE1 4.22Å; M171-L222 HydrophobicContact SD-CB 4.18Å; M171-L222 HydrophobicContact SD-CD1 4.48Å; M171-R223 HydrophobicContact CG-CB 4.4Å
172	P	86.2	Confident	91.4	Very high	75 Å²	75	53.7 Å²	53.7	49%	0.487	30%	0.3	S	S	.	.	H	α-helix	trans	-52.2	-38.6	-179	-27.6	35.3	0	0	0	112.8	L174 A175	P172-L174 PolarHBondContact O-N 2.96Å; P172-A175 PolarHBondContact O-N 3.05Å
173	A	85.1	Confident	91.6	Very high	2 Å²	2	52.9 Å²	52.9	2%	0.017	30%	0.3	C	S	.	.	H	α-helix	trans	-41.9	-38.5	167.7	0	0	0	0	0	117.3	M171 L222 N230	M171-A173 HydrophobicContact CB-CB 4.47Å; M171-A173 PolarHBondContact O-N 3.09Å; M171-A173 VanDerWaalsContact O-N 3.12Å; A173-L222 HydrophobicContact CB-CB 4.01Å; A173-L222 WeakPolarHBondContact CB-O 3.49Å; A173-N230 WeakPolarHBondContact CA-ND2 3.41Å; A173-N230 WeakPolarHBondContact CB-ND2 3.2Å
174	L	89.9	Confident	91.7	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-117	-18.9	-170.3	-56.1	176.8	0	0	0	111.6	I168 M171 P172 S176 M177 Y185 L222 Q241	I168-L174 HydrophobicContact CG1-CB 4.46Å; I168-L174 HydrophobicContact CG1-CD1 4.15Å; I168-L174 HydrophobicContact CG2-CB 4.02Å; M171-L174 HydrophobicContact CB-CB 4.29Å; M171-L174 HydrophobicContact CB-CD1 4.13Å; M171-L174 HydrophobicContact CB-CG 4.19Å; M171-L174 PolarHBondContact O-N 3.44Å; M171-L174 HydrophobicContact SD-CD1 3.6Å; P172-L174 PolarHBondContact O-N 2.96Å; L174-S176 PolarHBondContact O-N 3.08Å; L174-M177 WeakPolarHBondContact O-CB 3.34Å; L174-M177 PolarHBondContact O-N 3.27Å; L174-M177 VanDerWaalsContact O-N 3.13Å; L174-Y185 HydrophobicContact CD1-CE1 3.98Å; L174-Y185 HydrophobicContact CD1-CE2 4.49Å; L174-Y185 WeakPolarHBondContact CD1-OH 3.43Å; L174-Y185 HydrophobicContact CD2-CE1 4.47Å; L174-Y185 HydrophobicContact CD2-CE2 3.71Å; L174-L222 HydrophobicContact CD1-CD1 3.95Å; L174-L222 HydrophobicContact CD2-CD1 4.29Å; L174-L222 HydrophobicContact CG-CD1 4.3Å; L174-Q241 HydrophobicContact CD2-CB 4.06Å
175	A	88.4	Confident	91.8	Very high	59 Å²	59	56.6 Å²	56.6	49%	0.488	32%	0.315	S	S	.	.	H	α-helix	trans	-64.9	-23.8	-176	0	0	0	0	0	113.4	M171 P172	M171-A175 WeakPolarHBondContact O-CB 3.32Å; M171-A175 PolarHBondContact O-N 3.38Å; P172-A175 PolarHBondContact O-N 3.05Å
176	S	86.3	Confident	91.9	Very high	96 Å²	96	55 Å²	55	67%	0.671	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	4.7	176.9	57.1	0	0	0	0	114.3	L174	L174-S176 PolarHBondContact O-N 3.08Å
177	M	90	Very high	92.2	Very high	23 Å²	23	53 Å²	53	11%	0.113	29%	0.293	C	S	.	.	S	Bend	trans	-67.6	143.8	-178.7	-174.2	169.2	59.8	0	0	111.7	I168 L174 F181 L182 Y185 Q241	I168-M177 HydrophobicContact CD1-CE 4.26Å; L174-M177 WeakPolarHBondContact O-CB 3.34Å; L174-M177 PolarHBondContact O-N 3.27Å; L174-M177 VanDerWaalsContact O-N 3.13Å; M177-F181 HydrophobicContact CG-CB 4.44Å; M177-F181 HydrophobicContact CG-CD1 3.81Å; M177-F181 HydrophobicContact SD-CD1 3.54Å; M177-F181 VanDerWaalsContact SD-CD1 3.54Å; M177-F181 HydrophobicContact SD-CE1 4.02Å; M177-L182 HydrophobicContact CE-CB 4.38Å; M177-L182 HydrophobicContact CE-CD1 3.44Å; M177-L182 VanDerWaalsContact CE-CD1 3.44Å; M177-Y185 HydrophobicContact CE-CD1 3.79Å; M177-Y185 HydrophobicContact CE-CD2 4.44Å; M177-Y185 HydrophobicContact CE-CG 3.69Å; M177-Y185 VanDerWaalsContact SD-CB 3.56Å; M177-Y185 HydrophobicContact SD-CD1 4.37Å; M177-Y185 HydrophobicContact SD-CD2 3.98Å; M177-Y185 HydrophobicContact SD-CG 3.69Å; M177-Q241 HydrophobicContact CG-CG 4.35Å; M177-Q241 HydrophobicContact SD-CG 4.05Å
178	E	92.3	Very high	92.5	Very high	140 Å²	140	52.9 Å²	52.9	65%	0.654	29%	0.293	S	S	*	.			trans	-62.7	139.6	177	-64.4	-178.3	173.7	0	0	111.2	E180 F181 L182	E178-E180 VanDerWaalsContact C-N 3.26Å; E178-E180 PolarHBondContact O-N 2.7Å; E178-F181 HydrophobicContact CB-CB 4.36Å; E178-F181 PolarHBondContact O-N 3.48Å; E178-F181 VanDerWaalsContact O-N 3.11Å; E178-L182 PolarHBondContact O-N 2.84Å
179	Q	93.2	Very high	92.8	Very high	159 Å²	159	52.3 Å²	52.3	74%	0.743	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-32.3	-174.4	-173.7	175.3	-4	0	0	111.7	F181 L182	Q179-F181 VanDerWaalsContact C-N 3.28Å; Q179-F181 PolarHBondContact O-N 2.99Å; Q179-L182 WeakPolarHBondContact O-CB 3.48Å; Q179-L182 PolarHBondContact O-N 2.77Å
180	E	94	Very high	93.2	Very high	142 Å²	142	47.8 Å²	47.8	66%	0.664	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-29.6	176.6	-64.8	73.7	-164.8	0	0	111.9	E178 P183	E178-E180 VanDerWaalsContact C-N 3.26Å; E178-E180 PolarHBondContact O-N 2.7Å; E180-P183 WeakPolarHBondContact O-CD 2.91Å
181	F	95.7	Very high	93.6	Very high	21 Å²	21	46.2 Å²	46.2	9%	0.092	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-19.4	179.8	-172.1	-116.4	0	0	0	113.2	M177 E178 Q179 P183 Y184 Y185 Q241 A244 Y248	M177-F181 HydrophobicContact CG-CB 4.44Å; M177-F181 HydrophobicContact CG-CD1 3.81Å; M177-F181 HydrophobicContact SD-CD1 3.54Å; M177-F181 VanDerWaalsContact SD-CD1 3.54Å; M177-F181 HydrophobicContact SD-CE1 4.02Å; E178-F181 HydrophobicContact CB-CB 4.36Å; E178-F181 PolarHBondContact O-N 3.48Å; E178-F181 VanDerWaalsContact O-N 3.11Å; Q179-F181 VanDerWaalsContact C-N 3.28Å; Q179-F181 PolarHBondContact O-N 2.99Å; F181-P183 VanDerWaalsContact C-CD 3.47Å; F181-Y184 HydrophobicContact CD2-CD2 4.05Å; F181-Y184 HydrophobicContact CD2-CG 4.43Å; F181-Y184 HydrophobicContact CE2-CG 4.46Å; F181-Y184 PolarHBondContact O-N 3.03Å; F181-Y185 PolarHBondContact O-N 3.31Å; F181-Y185 VanDerWaalsContact O-N 3.13Å; F181-Q241 HydrophobicContact CE1-CG 4.33Å; F181-A244 HydrophobicContact CE1-CB 4.2Å; F181-A244 HydrophobicContact CZ-CB 4Å; F181-Y248 HydrophobicContact CD2-CD1 4.14Å; F181-Y248 HydrophobicContact CD2-CG 4.39Å; F181-Y248 AromaticContact CE2-CD1 3.75Å; F181-Y248 HydrophobicContact CE2-CD1 3.75Å; F181-Y248 HydrophobicContact CE2-CD2 4.46Å; F181-Y248 AromaticContact CE2-CG 3.7Å; F181-Y248 HydrophobicContact CE2-CG 3.7Å
182	L	95.9	Very high	94	Very high	48 Å²	48	46.2 Å²	46.2	25%	0.251	25%	0.25	S	C	.	.	H	α-helix	trans	-51	-44.2	-175.9	-177.8	64.4	0	0	0	114.4	I168 M177 E178 Q179 Y184 Y185 I186	I168-L182 HydrophobicContact CD1-CD1 3.37Å; I168-L182 HydrophobicContact CG2-CD1 4.46Å; M177-L182 HydrophobicContact CE-CB 4.38Å; M177-L182 HydrophobicContact CE-CD1 3.44Å; M177-L182 VanDerWaalsContact CE-CD1 3.44Å; E178-L182 PolarHBondContact O-N 2.84Å; Q179-L182 WeakPolarHBondContact O-CB 3.48Å; Q179-L182 PolarHBondContact O-N 2.77Å; L182-Y184 VanDerWaalsContact C-N 3.32Å; L182-Y184 PolarHBondContact O-N 3.27Å; L182-Y185 PolarHBondContact O-N 2.95Å; L182-I186 HydrophobicContact CD1-CD1 3.82Å; L182-I186 HydrophobicContact CD1-CG1 4.11Å; L182-I186 HydrophobicContact CD2-CD1 4.45Å; L182-I186 HydrophobicContact CG-CD1 3.72Å; L182-I186 HydrophobicContact CG-CG1 4.42Å; L182-I186 VanDerWaalsContact O-CG1 3.29Å; L182-I186 WeakPolarHBondContact O-CG1 3.25Å; L182-I186 PolarHBondContact O-N 3.09Å
183	P	96.8	Very high	94.6	Very high	80 Å²	80	42.6 Å²	42.6	52%	0.519	23%	0.227	S	C	.	.	H	α-helix	trans	-61.8	-36.7	178.1	-23.1	35.6	0	0	0	113.6	E180 F181 C187	E180-P183 WeakPolarHBondContact O-CD 2.91Å; F181-P183 VanDerWaalsContact C-CD 3.47Å; P183-C187 WeakPolarHBondContact O-CB 3.37Å; P183-C187 PolarHBondContact O-N 3.21Å
184	Y	97.4	Very high	95.1	Very high	77 Å²	77	42.9 Å²	42.9	30%	0.302	23%	0.228	S	C	.	.	H	α-helix	trans	-70.9	-43.6	178.9	-58.6	-75.8	0	0	0	111.2	F181 L182 C187 V188 Y248 F296	F181-Y184 HydrophobicContact CD2-CD2 4.05Å; F181-Y184 HydrophobicContact CD2-CG 4.43Å; F181-Y184 HydrophobicContact CE2-CG 4.46Å; F181-Y184 PolarHBondContact O-N 3.03Å; L182-Y184 VanDerWaalsContact C-N 3.32Å; L182-Y184 PolarHBondContact O-N 3.27Å; Y184-C187 WeakPolarHBondContact O-CB 3.41Å; Y184-C187 PolarHBondContact O-N 2.76Å; Y184-V188 WeakPolarHBondContact O-CG2 3.33Å; Y184-V188 PolarHBondContact O-N 2.81Å; Y184-Y248 AromaticContact CD1-CD2 3.59Å; Y184-Y248 HydrophobicContact CD1-CD2 3.59Å; Y184-Y248 AromaticContact CD1-CE2 3.56Å; Y184-Y248 HydrophobicContact CD1-CE2 3.56Å; Y184-Y248 HydrophobicContact CD2-CD2 4.21Å; Y184-Y248 AromaticContact CD2-CE2 3.88Å; Y184-Y248 HydrophobicContact CD2-CE2 3.88Å; Y184-Y248 AromaticContact CE1-CD2 3.93Å; Y184-Y248 HydrophobicContact CE1-CD2 3.93Å; Y184-Y248 AromaticContact CE1-CE2 3.41Å; Y184-Y248 HydrophobicContact CE1-CE2 3.41Å; Y184-Y248 VanDerWaalsContact CE1-CE2 3.41Å; Y184-Y248 HydrophobicContact CE2-CD2 4.48Å; Y184-Y248 AromaticContact CE2-CE2 3.71Å; Y184-Y248 HydrophobicContact CE2-CE2 3.71Å; Y184-Y248 AromaticContact CE2-CZ 3.94Å; Y184-Y248 AromaticContact CG-CD2 3.75Å; Y184-Y248 HydrophobicContact CG-CD2 3.75Å; Y184-Y248 AromaticContact CG-CE2 3.8Å; Y184-Y248 HydrophobicContact CG-CE2 3.8Å; Y184-Y248 AromaticContact CZ-CE2 3.46Å; Y184-Y248 VanDerWaalsContact CZ-CE2 3.46Å; Y184-F296 AromaticContact CD1-CD1 3.62Å; Y184-F296 HydrophobicContact CD1-CD1 3.62Å; Y184-F296 AromaticContact CD1-CE1 3.76Å; Y184-F296 HydrophobicContact CD1-CE1 3.76Å; Y184-F296 HydrophobicContact CD1-CG 4.02Å; Y184-F296 HydrophobicContact CD1-CZ 4.3Å; Y184-F296 HydrophobicContact CE1-CD1 4.38Å; Y184-F296 HydrophobicContact CE1-CG 4.43Å; Y184-F296 HydrophobicContact CG-CE1 4.35Å
185	Y	97.7	Very high	95.5	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.008	23%	0.228	C	C	.	.	H	α-helix	trans	-59	-49.7	174.1	176	-91.4	0	0	0	111.9	I164 I168 L174 M177 F181 L182 C187 V188 A189 F239 A244	I164-Y185 HydrophobicContact CG2-CE1 4.1Å; I168-Y185 HydrophobicContact CD1-CD1 3.71Å; I168-Y185 HydrophobicContact CD1-CE1 3.8Å; I168-Y185 HydrophobicContact CG1-CD1 4.36Å; I168-Y185 HydrophobicContact CG1-CE1 3.97Å; L174-Y185 HydrophobicContact CD1-CE1 3.98Å; L174-Y185 HydrophobicContact CD1-CE2 4.49Å; L174-Y185 WeakPolarHBondContact CD1-OH 3.43Å; L174-Y185 HydrophobicContact CD2-CE1 4.47Å; L174-Y185 HydrophobicContact CD2-CE2 3.71Å; M177-Y185 HydrophobicContact CE-CD1 3.79Å; M177-Y185 HydrophobicContact CE-CD2 4.44Å; M177-Y185 HydrophobicContact CE-CG 3.69Å; M177-Y185 VanDerWaalsContact SD-CB 3.56Å; M177-Y185 HydrophobicContact SD-CD1 4.37Å; M177-Y185 HydrophobicContact SD-CD2 3.98Å; M177-Y185 HydrophobicContact SD-CG 3.69Å; F181-Y185 PolarHBondContact O-N 3.31Å; F181-Y185 VanDerWaalsContact O-N 3.13Å; L182-Y185 PolarHBondContact O-N 2.95Å; Y185-C187 VanDerWaalsContact C-N 3.28Å; Y185-C187 PolarHBondContact O-N 2.55Å; Y185-V188 PolarHBondContact O-N 3.21Å; Y185-A189 HydrophobicContact CE1-CB 4.3Å; Y185-A189 PolarHBondContact O-N 2.79Å; Y185-F239 VanDerWaalsContact CE2-O 3.23Å; Y185-F239 WeakPolarHBondContact CE2-O 3.25Å; Y185-F239 PolarHBondContact OH-O 2.94Å; Y185-A244 HydrophobicContact CD2-CB 3.75Å; Y185-A244 HydrophobicContact CE2-CB 4.46Å
186	I	98.1	Very high	95.9	Very high	19 Å²	19	41 Å²	41	10%	0.097	21%	0.209	C	C	.	.	H	α-helix	trans	-58.7	-44	179	-69.4	165.3	0	0	0	110.1	E161 I164 T165 I168 L182 V188 A189 V190	E161-I186 HydrophobicContact CB-CG2 3.96Å; E161-I186 HydrophobicContact CG-CG2 3.81Å; I164-I186 HydrophobicContact CG2-CG1 4.37Å; T165-I186 VanDerWaalsContact OG1-CD1 3.31Å; T165-I186 WeakPolarHBondContact OG1-CD1 3.38Å; I168-I186 HydrophobicContact CD1-CG1 4Å; L182-I186 HydrophobicContact CD1-CD1 3.82Å; L182-I186 HydrophobicContact CD1-CG1 4.11Å; L182-I186 HydrophobicContact CD2-CD1 4.45Å; L182-I186 HydrophobicContact CG-CD1 3.72Å; L182-I186 HydrophobicContact CG-CG1 4.42Å; L182-I186 VanDerWaalsContact O-CG1 3.29Å; L182-I186 WeakPolarHBondContact O-CG1 3.25Å; L182-I186 PolarHBondContact O-N 3.09Å; I186-V188 PolarHBondContact O-N 3.41Å; I186-A189 PolarHBondContact O-N 2.9Å; I186-V190 HydrophobicContact CG2-CG2 4.2Å; I186-V190 WeakPolarHBondContact O-CB 3.49Å; I186-V190 VanDerWaalsContact O-CG2 3.28Å; I186-V190 WeakPolarHBondContact O-CG2 3.22Å; I186-V190 PolarHBondContact O-N 2.74Å
187	C	98.2	Very high	96.4	Very high	4 Å²	4	37.5 Å²	37.5	3%	0.027	18%	0.182	C	C	.	.	H	α-helix	trans	-54.9	-53.2	175.1	175.2	0	0	0	0	111.4	P183 Y184 Y185 A189 V190 K191 F296	P183-C187 WeakPolarHBondContact O-CB 3.37Å; P183-C187 PolarHBondContact O-N 3.21Å; Y184-C187 WeakPolarHBondContact O-CB 3.41Å; Y184-C187 PolarHBondContact O-N 2.76Å; Y185-C187 VanDerWaalsContact C-N 3.28Å; Y185-C187 PolarHBondContact O-N 2.55Å; C187-A189 PolarHBondContact O-N 3.09Å; C187-V190 PolarHBondContact O-N 2.86Å; C187-K191 VanDerWaalsContact O-CB 3.31Å; C187-K191 WeakPolarHBondContact O-CB 3.31Å; C187-K191 VanDerWaalsContact O-CG 3.22Å; C187-K191 WeakPolarHBondContact O-CG 3.33Å; C187-K191 PolarHBondContact O-N 2.86Å; C187-F296 HydrophobicContact CB-CD1 4.41Å; C187-F296 HydrophobicContact CB-CE1 4.29Å
188	V	98.1	Very high	96.7	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.018	18%	0.178	C	C	.	.	H	α-helix	trans	-59.4	-46	-179.9	172.9	0	0	0	0	111.7	Y184 Y185 I186 V190 K191 N192 F243 A244 L247 F296 V300	Y184-V188 WeakPolarHBondContact O-CG2 3.33Å; Y184-V188 PolarHBondContact O-N 2.81Å; Y185-V188 PolarHBondContact O-N 3.21Å; I186-V188 PolarHBondContact O-N 3.41Å; V188-V190 PolarHBondContact O-N 2.73Å; V188-K191 PolarHBondContact O-N 2.84Å; V188-N192 PolarHBondContact O-N 3.46Å; V188-N192 PolarHBondContact O-ND2 3.24Å; V188-F243 HydrophobicContact CG1-CD1 3.85Å; V188-F243 HydrophobicContact CG1-CE1 3.87Å; V188-A244 HydrophobicContact CB-CB 4.09Å; V188-A244 HydrophobicContact CG1-CB 4.12Å; V188-A244 HydrophobicContact CG2-CB 4.17Å; V188-L247 HydrophobicContact CG1-CD1 3.87Å; V188-L247 HydrophobicContact CG2-CD1 4.06Å; V188-F296 HydrophobicContact CG2-CE1 4.01Å; V188-F296 HydrophobicContact CG2-CZ 3.91Å; V188-V300 HydrophobicContact CG2-CG2 3.89Å
189	A	98	Very high	96.4	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.008	18%	0.176	C	C	.	.	H	α-helix	trans	-62.4	-45.2	179.8	0	0	0	0	0	112	I164 Y185 I186 C187 N192 F193 F239	I164-A189 HydrophobicContact CG1-CB 4.4Å; I164-A189 HydrophobicContact CG2-CB 4.03Å; Y185-A189 HydrophobicContact CE1-CB 4.3Å; Y185-A189 PolarHBondContact O-N 2.79Å; I186-A189 PolarHBondContact O-N 2.9Å; C187-A189 PolarHBondContact O-N 3.09Å; A189-N192 PolarHBondContact O-N 3.46Å; A189-F193 WeakPolarHBondContact O-CD2 3.48Å; A189-F193 PolarHBondContact O-N 3.49Å; A189-F239 HydrophobicContact CB-CD1 4.14Å
190	V	98.1	Very high	96	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-68.3	-41.7	179.4	172.5	0	0	0	0	111.3	E157 L160 E161 I164 I186 C187 V188 N192 F193 V194	E157-V190 HydrophobicContact CB-CG1 4.29Å; E157-V190 HydrophobicContact CG-CG1 4.17Å; L160-V190 HydrophobicContact CB-CG1 4.01Å; L160-V190 HydrophobicContact CB-CG2 3.99Å; L160-V190 HydrophobicContact CD1-CG1 4.39Å; E161-V190 HydrophobicContact CB-CG2 4.41Å; E161-V190 HydrophobicContact CG-CB 4.45Å; E161-V190 HydrophobicContact CG-CG1 4.4Å; E161-V190 HydrophobicContact CG-CG2 3.79Å; I164-V190 HydrophobicContact CG1-CG2 4.22Å; I186-V190 HydrophobicContact CG2-CG2 4.2Å; I186-V190 WeakPolarHBondContact O-CB 3.49Å; I186-V190 VanDerWaalsContact O-CG2 3.28Å; I186-V190 WeakPolarHBondContact O-CG2 3.22Å; I186-V190 PolarHBondContact O-N 2.74Å; C187-V190 PolarHBondContact O-N 2.86Å; V188-V190 PolarHBondContact O-N 2.73Å; V190-N192 VanDerWaalsContact C-N 3.29Å; V190-N192 PolarHBondContact O-N 3.03Å; V190-F193 PolarHBondContact O-N 3.09Å; V190-V194 HydrophobicContact CG1-CG2 4.18Å; V190-V194 PolarHBondContact O-N 3.43Å
191	K	97.4	Very high	95.8	Very high	17 Å²	17	33.3 Å²	33.3	7%	0.074	16%	0.159	C	C	.	.	H	α-helix	trans	-61.1	-36.8	176.6	-74	-60.6	-162.9	170.3	0	112.1	C187 V188 F193 V194 F195 R297 V300 D301 L304	C187-K191 VanDerWaalsContact O-CB 3.31Å; C187-K191 WeakPolarHBondContact O-CB 3.31Å; C187-K191 VanDerWaalsContact O-CG 3.22Å; C187-K191 WeakPolarHBondContact O-CG 3.33Å; C187-K191 PolarHBondContact O-N 2.86Å; V188-K191 PolarHBondContact O-N 2.84Å; K191-F193 VanDerWaalsContact C-N 3.31Å; K191-F193 PolarHBondContact O-N 2.81Å; K191-V194 PolarHBondContact O-N 2.62Å; K191-F195 WeakPolarHBondContact O-CA 3.41Å; K191-F195 WeakPolarHBondContact O-CB 3.47Å; K191-F195 PolarHBondContact O-N 3.29Å; K191-R297 WeakPolarHBondContact CE-O 3.32Å; K191-V300 HydrophobicContact CB-CB 4.47Å; K191-V300 HydrophobicContact CB-CG1 3.53Å; K191-V300 HydrophobicContact CG-CB 4.3Å; K191-V300 HydrophobicContact CG-CG1 3.88Å; K191-D301 WeakPolarHBondContact CD-OD1 3.16Å; K191-D301 IonicContact NZ-OD1 2.82Å; K191-D301 IonicContact NZ-OD2 3.59Å; K191-D301 PolarHBondContact NZ-OD2 2.96Å; K191-L304 HydrophobicContact CB-CD1 4.26Å
192	N	97.4	Very high	95.5	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-57.3	-42.6	171.9	-86.7	-78.9	0	0	0	112.2	V188 A189 V190 F196 R238 F239	V188-N192 PolarHBondContact O-N 3.46Å; V188-N192 PolarHBondContact O-ND2 3.24Å; A189-N192 PolarHBondContact O-N 3.46Å; V190-N192 VanDerWaalsContact C-N 3.29Å; V190-N192 PolarHBondContact O-N 3.03Å; N192-F196 WeakPolarHBondContact O-CD2 3.22Å; N192-R238 VanDerWaalsContact OD1-CD 3.27Å; N192-R238 WeakPolarHBondContact OD1-CD 3.24Å; N192-F239 HydrophobicContact CB-CE1 4.01Å; N192-F239 HydrophobicContact CB-CZ 4.08Å
193	F	97.8	Very high	95.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-68.7	-49.7	176	-66.5	-63.2	0	0	0	112.6	L160 I164 A189 V190 K191 L197 L210 L215 L216 L219 F239	L160-F193 HydrophobicContact CD1-CB 4.15Å; I164-F193 HydrophobicContact CD1-CE2 3.88Å; A189-F193 WeakPolarHBondContact O-CD2 3.48Å; A189-F193 PolarHBondContact O-N 3.49Å; V190-F193 PolarHBondContact O-N 3.09Å; K191-F193 VanDerWaalsContact C-N 3.31Å; K191-F193 PolarHBondContact O-N 2.81Å; F193-L197 HydrophobicContact CD1-CD1 4.45Å; F193-L197 WeakPolarHBondContact O-CB 3.38Å; F193-L197 WeakPolarHBondContact O-CG 3.44Å; F193-L197 PolarHBondContact O-N 3.16Å; F193-L210 HydrophobicContact CB-CD1 4.24Å; F193-L210 HydrophobicContact CD1-CD1 3.06Å; F193-L210 HydrophobicContact CD1-CG 4.49Å; F193-L210 HydrophobicContact CE1-CD1 3.38Å; F193-L210 HydrophobicContact CG-CD1 3.75Å; F193-L210 HydrophobicContact CZ-CD1 4.32Å; F193-L215 HydrophobicContact CD1-CB 3.87Å; F193-L215 HydrophobicContact CD1-CD1 3.77Å; F193-L215 HydrophobicContact CD1-CG 4.5Å; F193-L215 HydrophobicContact CE1-CB 3.45Å; F193-L215 VanDerWaalsContact CE1-CB 3.45Å; F193-L215 HydrophobicContact CE1-CD1 4.25Å; F193-L215 HydrophobicContact CE1-CG 4.5Å; F193-L215 HydrophobicContact CZ-CB 4.47Å; F193-L216 HydrophobicContact CE1-CD2 4.2Å; F193-L216 HydrophobicContact CZ-CD2 4.14Å; F193-L219 HydrophobicContact CE2-CD2 4.36Å; F193-L219 HydrophobicContact CZ-CD2 4.04Å; F193-F239 HydrophobicContact CD1-CZ 4.31Å; F193-F239 HydrophobicContact CD2-CE1 4.1Å; F193-F239 HydrophobicContact CD2-CZ 4.48Å; F193-F239 HydrophobicContact CE1-CE1 4.17Å; F193-F239 AromaticContact CE1-CZ 3.73Å; F193-F239 HydrophobicContact CE1-CZ 3.73Å; F193-F239 HydrophobicContact CE2-CD1 4.39Å; F193-F239 AromaticContact CE2-CE1 3.41Å; F193-F239 HydrophobicContact CE2-CE1 3.41Å; F193-F239 VanDerWaalsContact CE2-CE1 3.41Å; F193-F239 AromaticContact CE2-CZ 3.86Å; F193-F239 HydrophobicContact CE2-CZ 3.86Å; F193-F239 HydrophobicContact CZ-CD1 4.49Å; F193-F239 AromaticContact CZ-CE1 3.48Å; F193-F239 HydrophobicContact CZ-CE1 3.48Å; F193-F239 VanDerWaalsContact CZ-CE1 3.48Å; F193-F239 HydrophobicContact CZ-CE2 4.46Å; F193-F239 AromaticContact CZ-CZ 3.46Å; F193-F239 HydrophobicContact CZ-CZ 3.46Å; F193-F239 VanDerWaalsContact CZ-CZ 3.46Å
194	V	97.4	Very high	95.1	Very high	7 Å²	7	35.2 Å²	35.2	4%	0.042	17%	0.171	C	C	.	.	H	α-helix	trans	-69.6	-41.6	-173.9	177.5	0	0	0	0	111.5	E157 L160 V190 K191 F196 D198 V205	E157-V194 HydrophobicContact CG-CG1 4.44Å; E157-V194 HydrophobicContact CG-CG2 3.71Å; L160-V194 HydrophobicContact CD1-CG2 3.87Å; V190-V194 HydrophobicContact CG1-CG2 4.18Å; V190-V194 PolarHBondContact O-N 3.43Å; K191-V194 PolarHBondContact O-N 2.62Å; V194-F196 PolarHBondContact O-N 3.41Å; V194-D198 HydrophobicContact CG1-CB 3.9Å; V194-D198 WeakPolarHBondContact O-CA 3.21Å; V194-D198 WeakPolarHBondContact O-CB 3.23Å; V194-D198 PolarHBondContact O-N 3.13Å; V194-V205 HydrophobicContact CG2-CG2 4.15Å
195	F	97.3	Very high	95.1	Very high	1 Å²	1	31.6 Å²	31.6	0%	0.004	16%	0.157	C	C	.	.	H	α-helix	trans	-60	-46.3	-177.3	-174.8	-90.1	0	0	0	112.2	K191 R201 D301 L304 A305 A313 A314 Y317	K191-F195 WeakPolarHBondContact O-CA 3.41Å; K191-F195 WeakPolarHBondContact O-CB 3.47Å; K191-F195 PolarHBondContact O-N 3.29Å; F195-R201 PolarHBondContact O-NH1 2.76Å; F195-D301 HydrophobicContact CD2-CB 4.26Å; F195-D301 HydrophobicContact CE2-CB 4.47Å; F195-D301 VanDerWaalsContact CE2-O 3.28Å; F195-D301 WeakPolarHBondContact CE2-O 3.2Å; F195-L304 HydrophobicContact CB-CD1 3.82Å; F195-L304 HydrophobicContact CD1-CB 4.03Å; F195-L304 HydrophobicContact CD1-CD1 4.39Å; F195-L304 HydrophobicContact CD2-CB 4.3Å; F195-L304 HydrophobicContact CD2-CD1 4.49Å; F195-L304 HydrophobicContact CE1-CB 4.1Å; F195-L304 HydrophobicContact CE2-CB 4.36Å; F195-L304 HydrophobicContact CG-CB 4.13Å; F195-L304 HydrophobicContact CG-CD1 4Å; F195-L304 HydrophobicContact CZ-CB 4.27Å; F195-A305 HydrophobicContact CE2-CB 4.14Å; F195-A305 HydrophobicContact CZ-CB 3.68Å; F195-A313 HydrophobicContact CD1-CB 4.42Å; F195-A313 HydrophobicContact CE1-CB 4.24Å; F195-A313 WeakPolarHBondContact O-CB 3.37Å; F195-A314 HydrophobicContact CE1-CB 4.22Å; F195-A314 HydrophobicContact CZ-CB 4.28Å; F195-Y317 HydrophobicContact CE2-CD2 4.09Å; F195-Y317 HydrophobicContact CE2-CG 4.26Å
196	F	97	Very high	95	Very high	21 Å²	21	37 Å²	37	9%	0.092	18%	0.178	C	C	.	.	H	α-helix	trans	-87.8	-26	-176.1	-65.8	-68.2	0	0	0	113.9	N192 V194 L304 N308 D311 A313	N192-F196 WeakPolarHBondContact O-CD2 3.22Å; V194-F196 PolarHBondContact O-N 3.41Å; F196-L304 HydrophobicContact CE2-CD2 4.12Å; F196-L304 HydrophobicContact CZ-CD2 4.4Å; F196-N308 HydrophobicContact CE1-CB 4.09Å; F196-N308 HydrophobicContact CZ-CB 4.1Å; F196-D311 HydrophobicContact CE1-CB 4.21Å; F196-A313 HydrophobicContact CD1-CB 4.15Å
197	L	97.2	Very high	94.9	Very high	21 Å²	21	36.6 Å²	36.6	11%	0.11	18%	0.176	C	C	.	.	H	α-helix	trans	-107.6	-21.5	-173.6	-53	-179.1	0	0	0	114.6	F193 H199 V205 L210 L215	F193-L197 HydrophobicContact CD1-CD1 4.45Å; F193-L197 WeakPolarHBondContact O-CB 3.38Å; F193-L197 WeakPolarHBondContact O-CG 3.44Å; F193-L197 PolarHBondContact O-N 3.16Å; L197-H199 VanDerWaalsContact C-N 3.31Å; L197-H199 PolarHBondContact O-N 2.86Å; L197-H199 VanDerWaalsContact O-N 3.09Å; L197-H199 PolarHBondContact O-ND1 2.69Å; L197-V205 HydrophobicContact CB-CG1 3.62Å; L197-V205 HydrophobicContact CB-CG2 4.08Å; L197-V205 HydrophobicContact CD1-CG1 3.8Å; L197-V205 HydrophobicContact CG-CG1 4.4Å; L197-L210 HydrophobicContact CD1-CB 4.4Å; L197-L210 HydrophobicContact CD1-CD1 3.83Å; L197-L215 HydrophobicContact CD1-CD1 3.98Å; L197-L215 HydrophobicContact CD2-CD1 4.38Å; L197-L215 HydrophobicContact CG-CD1 4.06Å
198	D	94.8	Very high	94.8	Very high	6 Å²	6	40.9 Å²	40.9	3%	0.032	20%	0.196	C	C	.	.			trans	-87.3	71.5	175.7	-172.6	6.6	0	0	0	111.7	V194 Q200 R201 A202 G203 R204 V205	V194-D198 HydrophobicContact CG1-CB 3.9Å; V194-D198 WeakPolarHBondContact O-CA 3.21Å; V194-D198 WeakPolarHBondContact O-CB 3.23Å; V194-D198 PolarHBondContact O-N 3.13Å; D198-Q200 PolarHBondContact O-N 3.39Å; D198-Q200 VanDerWaalsContact O-N 3.07Å; D198-Q200 PolarHBondContact OD1-N 3.27Å; D198-R201 PolarHBondContact O-N 2.83Å; D198-R201 PolarHBondContact OD1-N 3.02Å; D198-R201 VanDerWaalsContact OD2-C 3.3Å; D198-R201 WeakPolarHBondContact OD2-CA 3.37Å; D198-A202 VanDerWaalsContact CG-N 3.29Å; D198-A202 PolarHBondContact OD1-N 2.95Å; D198-A202 PolarHBondContact OD2-N 3.48Å; D198-G203 WeakPolarHBondContact OD2-CA 3.29Å; D198-G203 PolarHBondContact OD2-N 3.32Å; D198-R204 PolarHBondContact OD2-N 3.42Å; D198-V205 HydrophobicContact CB-CG2 4.34Å
199	H	86.8	Confident	94.7	Very high	129 Å²	129	42.6 Å²	42.6	60%	0.597	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-27	-179.8	-60.4	77.4	0	0	0	113.6	L197	L197-H199 VanDerWaalsContact C-N 3.31Å; L197-H199 PolarHBondContact O-N 2.86Å; L197-H199 VanDerWaalsContact O-N 3.09Å; L197-H199 PolarHBondContact O-ND1 2.69Å
200	Q	84.3	Confident	94.6	Very high	154 Å²	154	42.6 Å²	42.6	72%	0.72	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-4.9	-178.2	-65.7	-174.2	-17.9	0	0	113	D198 A202	D198-Q200 PolarHBondContact O-N 3.39Å; D198-Q200 VanDerWaalsContact O-N 3.07Å; D198-Q200 PolarHBondContact OD1-N 3.27Å; Q200-A202 HydrophobicContact CB-CB 4.41Å; Q200-A202 PolarHBondContact O-N 3.07Å
201	R	89.3	Confident	94.4	Very high	87 Å²	87	42.7 Å²	42.7	33%	0.328	21%	0.206	S	C	.	.			trans	52.2	41.5	-173.3	-52.4	-62.5	-176.7	173.9	-0.9	111.5	F195 D198 G203 A313	F195-R201 PolarHBondContact O-NH1 2.76Å; D198-R201 PolarHBondContact O-N 2.83Å; D198-R201 PolarHBondContact OD1-N 3.02Å; D198-R201 VanDerWaalsContact OD2-C 3.3Å; D198-R201 WeakPolarHBondContact OD2-CA 3.37Å; R201-G203 VanDerWaalsContact C-N 3.31Å; R201-A313 PolarHBondContact NH2-O 3.42Å
202	A	89.8	Confident	94.3	Very high	50 Å²	50	45.6 Å²	45.6	41%	0.413	23%	0.233	S	C	.	.	S	Bend	trans	-85.2	0.4	179.8	0	0	0	0	0	113.6	D198 Q200 R204	D198-A202 VanDerWaalsContact CG-N 3.29Å; D198-A202 PolarHBondContact OD1-N 2.95Å; D198-A202 PolarHBondContact OD2-N 3.48Å; Q200-A202 HydrophobicContact CB-CB 4.41Å; Q200-A202 PolarHBondContact O-N 3.07Å; A202-R204 VanDerWaalsContact C-N 3.31Å; A202-R204 HydrophobicContact CB-CG 3.97Å
203	G	91.2	Very high	94.1	Very high	29 Å²	29	47.6 Å²	47.6	30%	0.299	25%	0.247	S	C	.	.	S	Bend	trans	72.3	23.4	-175	0	0	0	0	0	113.1	S156 E157 D198 R201	S156-G203 WeakPolarHBondContact CA-O 3.38Å; E157-G203 PolarHBondContact N-O 2.73Å; D198-G203 WeakPolarHBondContact OD2-CA 3.29Å; D198-G203 PolarHBondContact OD2-N 3.32Å; R201-G203 VanDerWaalsContact C-N 3.31Å
204	R	94.6	Very high	93.9	Very high	110 Å²	110	48.9 Å²	48.9	42%	0.415	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	148.4	-175.1	60.9	178.7	-173.9	-167.8	-2	113.5	W154 L155 D198 A202	W154-R204 HydrophobicContact CD2-CG 4.36Å; W154-R204 HydrophobicContact CE3-CB 4.24Å; W154-R204 HydrophobicContact CE3-CG 3.67Å; W154-R204 HydrophobicContact CZ3-CG 4.17Å; L155-R204 CarbonylContact O-C 3.57Å; L155-R204 WeakPolarHBondContact O-CA 3.34Å; L155-R204 WeakPolarHBondContact O-CB 3.43Å; D198-R204 PolarHBondContact OD2-N 3.42Å; A202-R204 VanDerWaalsContact C-N 3.31Å; A202-R204 HydrophobicContact CB-CG 3.97Å
205	V	96.7	Very high	93.8	Very high	2 Å²	2	49 Å²	49	1%	0.012	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	139.1	-179.1	178.8	0	0	0	0	110.2	W154 L155 L160 V194 L197 D198 L210	W154-V205 CarbonylContact C-O 3.59Å; W154-V205 WeakPolarHBondContact CA-O 3.44Å; L155-V205 PolarHBondContact N-O 2.77Å; L155-V205 PolarHBondContact O-N 3.21Å; L160-V205 HydrophobicContact CD1-CG2 4.36Å; V194-V205 HydrophobicContact CG2-CG2 4.15Å; L197-V205 HydrophobicContact CB-CG1 3.62Å; L197-V205 HydrophobicContact CB-CG2 4.08Å; L197-V205 HydrophobicContact CD1-CG1 3.8Å; L197-V205 HydrophobicContact CG-CG1 4.4Å; D198-V205 HydrophobicContact CB-CG2 4.34Å; V205-L210 HydrophobicContact CG1-CB 4.23Å
206	R	96.2	Very high	93.6	Very high	116 Å²	116	48.9 Å²	48.9	44%	0.438	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	134	172.7	-62.5	-166.6	-62.3	176.7	4.8	109.7	W154 M208 D209 L210	W154-R206 HydrophobicContact CD2-CG 3.66Å; W154-R206 HydrophobicContact CE3-CB 4.3Å; W154-R206 HydrophobicContact CE3-CG 3.43Å; W154-R206 VanDerWaalsContact CE3-CG 3.43Å; W154-R206 VanDerWaalsContact CH2-CD 3.49Å; W154-R206 HydrophobicContact CH2-CG 3.17Å; W154-R206 VanDerWaalsContact CZ2-CD 3.47Å; W154-R206 HydrophobicContact CZ2-CG 3.38Å; W154-R206 HydrophobicContact CZ3-CB 4.36Å; W154-R206 HydrophobicContact CZ3-CG 3.2Å; R206-M208 PolarHBondContact O-N 3.05Å; R206-M208 VanDerWaalsContact O-N 3.14Å; R206-D209 HydrophobicContact CB-CB 4.21Å; R206-D209 WeakPolarHBondContact CB-OD2 3.42Å; R206-D209 IonicContact CZ-OD1 2.83Å; R206-D209 IonicContact CZ-OD2 2.69Å; R206-D209 VanDerWaalsContact CZ-OD2 3.28Å; R206-D209 IonicContact NE-OD1 2.7Å; R206-D209 PolarHBondContact NE-OD1 2.85Å; R206-D209 IonicContact NE-OD2 2.76Å; R206-D209 PolarHBondContact NE-OD2 2.96Å; R206-D209 VanDerWaalsContact NH2-CG 3.3Å; R206-D209 IonicContact NH2-OD1 3.92Å; R206-D209 PolarHBondContact NH2-OD1 3.05Å; R206-D209 IonicContact NH2-OD2 2.89Å; R206-D209 PolarHBondContact NH2-OD2 3.38Å; R206-D209 PolarHBondContact O-N 2.87Å; R206-L210 PolarHBondContact O-N 3.02Å
207	I	95.9	Very high	93.3	Very high	10 Å²	10	50.5 Å²	50.5	5%	0.051	27%	0.268	C	S	.	.	H	α-helix	trans	-55.3	-37.7	176.7	-66.2	174.2	0	0	0	111.4	L144 A145 D148 G153 L155 L210 I211	L144-I207 HydrophobicContact CB-CD1 4.44Å; L144-I207 HydrophobicContact CB-CG1 4.38Å; L144-I207 HydrophobicContact CB-CG2 3.9Å; L144-I207 HydrophobicContact CD1-CG2 4.02Å; A145-I207 HydrophobicContact CB-CD1 4.32Å; D148-I207 HydrophobicContact CB-CD1 4.13Å; G153-I207 PolarHBondContact O-N 2.87Å; L155-I207 HydrophobicContact CD1-CG1 4.27Å; L155-I207 HydrophobicContact CD2-CD1 4.41Å; L155-I207 HydrophobicContact CD2-CG1 4.42Å; L155-I207 HydrophobicContact CG-CD1 4.44Å; L155-I207 HydrophobicContact CG-CG1 3.92Å; I207-L210 PolarHBondContact O-N 3.44Å; I207-I211 HydrophobicContact CG2-CD1 3.82Å; I207-I211 VanDerWaalsContact O-CG1 3.24Å; I207-I211 WeakPolarHBondContact O-CG1 3.32Å; I207-I211 PolarHBondContact O-N 2.97Å; I207-I211 VanDerWaalsContact O-N 3.12Å
208	M	95.3	Very high	93.1	Very high	93 Å²	93	51.8 Å²	51.8	46%	0.458	27%	0.273	S	S	.	.	H	α-helix	trans	-67.9	-35.9	178.9	-67.1	-57.6	-55	0	0	113	R141 R206 A212	R141-M208 HydrophobicContact CG-SD 4.07Å; R141-M208 PolarHBondContact NE-SD 3Å; R206-M208 PolarHBondContact O-N 3.05Å; R206-M208 VanDerWaalsContact O-N 3.14Å; M208-A212 VanDerWaalsContact O-CB 3.31Å; M208-A212 WeakPolarHBondContact O-CB 3.48Å; M208-A212 PolarHBondContact O-N 3.41Å; M208-A212 VanDerWaalsContact O-N 3.08Å
209	D	95.9	Very high	93.1	Very high	39 Å²	39	51.5 Å²	51.5	21%	0.209	27%	0.272	C	S	.	.	H	α-helix	trans	-72.4	-40.1	178.1	-62.6	-17.7	0	0	0	109.9	R206 I211 A212 S213	R206-D209 HydrophobicContact CB-CB 4.21Å; R206-D209 WeakPolarHBondContact CB-OD2 3.42Å; R206-D209 IonicContact CZ-OD1 2.83Å; R206-D209 IonicContact CZ-OD2 2.69Å; R206-D209 VanDerWaalsContact CZ-OD2 3.28Å; R206-D209 IonicContact NE-OD1 2.7Å; R206-D209 PolarHBondContact NE-OD1 2.85Å; R206-D209 IonicContact NE-OD2 2.76Å; R206-D209 PolarHBondContact NE-OD2 2.96Å; R206-D209 VanDerWaalsContact NH2-CG 3.3Å; R206-D209 IonicContact NH2-OD1 3.92Å; R206-D209 PolarHBondContact NH2-OD1 3.05Å; R206-D209 IonicContact NH2-OD2 2.89Å; R206-D209 PolarHBondContact NH2-OD2 3.38Å; R206-D209 PolarHBondContact O-N 2.87Å; D209-I211 VanDerWaalsContact C-N 3.32Å; D209-I211 PolarHBondContact O-N 2.95Å; D209-A212 PolarHBondContact O-N 3.26Å; D209-A212 VanDerWaalsContact O-N 3.16Å; D209-S213 VanDerWaalsContact O-CB 3.31Å; D209-S213 WeakPolarHBondContact O-CB 3.41Å; D209-S213 PolarHBondContact O-N 3.16Å
210	L	96.1	Very high	93.3	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-54.6	-47.6	173.8	-170.9	64.8	0	0	0	111.8	L144 L155 L160 F193 L197 V205 R206 I207 S213 L216	L144-L210 HydrophobicContact CD1-CD2 3.78Å; L144-L210 HydrophobicContact CD1-CG 4.43Å; L144-L210 HydrophobicContact CD2-CD2 3.65Å; L144-L210 HydrophobicContact CG-CD2 4.34Å; L155-L210 HydrophobicContact CD1-CD2 4.1Å; L160-L210 HydrophobicContact CD2-CD2 4.1Å; F193-L210 HydrophobicContact CB-CD1 4.24Å; F193-L210 HydrophobicContact CD1-CD1 3.06Å; F193-L210 HydrophobicContact CD1-CG 4.49Å; F193-L210 HydrophobicContact CE1-CD1 3.38Å; F193-L210 HydrophobicContact CG-CD1 3.75Å; F193-L210 HydrophobicContact CZ-CD1 4.32Å; L197-L210 HydrophobicContact CD1-CB 4.4Å; L197-L210 HydrophobicContact CD1-CD1 3.83Å; V205-L210 HydrophobicContact CG1-CB 4.23Å; R206-L210 PolarHBondContact O-N 3.02Å; I207-L210 PolarHBondContact O-N 3.44Å; L210-S213 PolarHBondContact O-N 3.26Å; L210-S213 PolarHBondContact O-OG 3.04Å; L210-L216 HydrophobicContact CD1-CD2 4.4Å; L210-L216 HydrophobicContact CD1-CG 4.48Å; L210-L216 HydrophobicContact CD2-CD2 4.3Å; L210-L216 HydrophobicContact CG-CD1 4.09Å; L210-L216 HydrophobicContact CG-CD2 4.1Å; L210-L216 HydrophobicContact CG-CG 4.03Å
211	I	94.9	Very high	93.5	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-71.3	-29.6	179.9	-65.7	171.6	0	0	0	112.8	W136 L137 M140 R141 L144 I207 D209 L216	W136-I211 HydrophobicContact CE3-CG2 4.47Å; W136-I211 HydrophobicContact CH2-CG2 4.01Å; W136-I211 HydrophobicContact CZ3-CG2 3.58Å; L137-I211 HydrophobicContact CD2-CG2 3.3Å; M140-I211 HydrophobicContact CB-CD1 3.89Å; M140-I211 HydrophobicContact CB-CG1 4.05Å; R141-I211 HydrophobicContact CB-CD1 4.09Å; R141-I211 HydrophobicContact CG-CD1 3.25Å; L144-I211 HydrophobicContact CD1-CD1 3.89Å; L144-I211 HydrophobicContact CD1-CG1 3.64Å; I207-I211 HydrophobicContact CG2-CD1 3.82Å; I207-I211 VanDerWaalsContact O-CG1 3.24Å; I207-I211 WeakPolarHBondContact O-CG1 3.32Å; I207-I211 PolarHBondContact O-N 2.97Å; I207-I211 VanDerWaalsContact O-N 3.12Å; D209-I211 VanDerWaalsContact C-N 3.32Å; D209-I211 PolarHBondContact O-N 2.95Å; I211-L216 HydrophobicContact CG1-CD1 3.94Å
212	A	94	Very high	93.4	Very high	78 Å²	78	39.7 Å²	39.7	65%	0.645	22%	0.22	S	C	*	.	H	α-helix	trans	-85.2	-16	179.6	0	0	0	0	0	113.3	M208 D209 G214	M208-A212 VanDerWaalsContact O-CB 3.31Å; M208-A212 WeakPolarHBondContact O-CB 3.48Å; M208-A212 PolarHBondContact O-N 3.41Å; M208-A212 VanDerWaalsContact O-N 3.08Å; D209-A212 PolarHBondContact O-N 3.26Å; D209-A212 VanDerWaalsContact O-N 3.16Å; A212-G214 PolarHBondContact O-N 2.98Å
213	S	94.4	Very high	93.1	Very high	44 Å²	44	40.5 Å²	40.5	31%	0.308	21%	0.213	S	C	.	.	S	Bend	trans	-71.8	-25.2	-170.2	66.6	0	0	0	0	115.6	D209 L210 L215	D209-S213 VanDerWaalsContact O-CB 3.31Å; D209-S213 WeakPolarHBondContact O-CB 3.41Å; D209-S213 PolarHBondContact O-N 3.16Å; L210-S213 PolarHBondContact O-N 3.26Å; L210-S213 PolarHBondContact O-OG 3.04Å; S213-L215 PolarHBondContact O-N 3.01Å; S213-L215 WeakPolarHBondContact OG-CB 3.3Å; S213-L215 PolarHBondContact OG-N 3.14Å; S213-L215 VanDerWaalsContact OG-N 3.14Å
214	G	92.6	Very high	92.5	Very high	26 Å²	26	44.8 Å²	44.8	27%	0.268	23%	0.229	S	C	.	.	S	Bend	trans	85	-15.3	-168.1	0	0	0	0	0	114.2	A212 L216 E217 E218	A212-G214 PolarHBondContact O-N 2.98Å; G214-L216 VanDerWaalsContact C-N 3.3Å; G214-L216 PolarHBondContact O-N 2.77Å; G214-E217 VanDerWaalsContact CA-OE2 3.27Å; G214-E217 WeakPolarHBondContact CA-OE2 3.49Å; G214-E217 WeakPolarHBondContact O-CB 3.34Å; G214-E217 PolarHBondContact O-N 3.02Å; G214-E217 VanDerWaalsContact O-N 3.13Å; G214-E218 PolarHBondContact O-N 3.35Å; G214-E218 VanDerWaalsContact O-N 3.17Å
215	L	95.4	Very high	91.6	Very high	9 Å²	9	40.6 Å²	40.6	5%	0.047	22%	0.216	C	C	.	.	H	α-helix	trans	-66.7	-29.9	-178	-65.8	175.9	0	0	0	112.9	F193 L197 S213 E217 L219 F239	F193-L215 HydrophobicContact CD1-CB 3.87Å; F193-L215 HydrophobicContact CD1-CD1 3.77Å; F193-L215 HydrophobicContact CD1-CG 4.5Å; F193-L215 HydrophobicContact CE1-CB 3.45Å; F193-L215 VanDerWaalsContact CE1-CB 3.45Å; F193-L215 HydrophobicContact CE1-CD1 4.25Å; F193-L215 HydrophobicContact CE1-CG 4.5Å; F193-L215 HydrophobicContact CZ-CB 4.47Å; L197-L215 HydrophobicContact CD1-CD1 3.98Å; L197-L215 HydrophobicContact CD2-CD1 4.38Å; L197-L215 HydrophobicContact CG-CD1 4.06Å; S213-L215 PolarHBondContact O-N 3.01Å; S213-L215 WeakPolarHBondContact OG-CB 3.3Å; S213-L215 PolarHBondContact OG-N 3.14Å; S213-L215 VanDerWaalsContact OG-N 3.14Å; L215-E217 VanDerWaalsContact C-N 3.34Å; L215-L219 WeakPolarHBondContact O-CB 3.38Å; L215-L219 PolarHBondContact O-N 3.42Å; L215-F239 HydrophobicContact CB-CE2 4.14Å; L215-F239 HydrophobicContact CB-CZ 4.05Å; L215-F239 HydrophobicContact CD2-CE2 4.18Å; L215-F239 HydrophobicContact CD2-CZ 4.33Å; L215-F239 WeakPolarHBondContact O-CE2 3.27Å
216	L	94	Very high	90.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-68.4	-37.3	174.3	-71.9	179.7	0	0	0	111.6	L144 Y163 F193 L210 I211 G214 L219 F220	L144-L216 HydrophobicContact CD1-CD1 3.92Å; Y163-L216 HydrophobicContact CE1-CD2 4.17Å; F193-L216 HydrophobicContact CE1-CD2 4.2Å; F193-L216 HydrophobicContact CZ-CD2 4.14Å; L210-L216 HydrophobicContact CD1-CD2 4.4Å; L210-L216 HydrophobicContact CD1-CG 4.48Å; L210-L216 HydrophobicContact CD2-CD2 4.3Å; L210-L216 HydrophobicContact CG-CD1 4.09Å; L210-L216 HydrophobicContact CG-CD2 4.1Å; L210-L216 HydrophobicContact CG-CG 4.03Å; I211-L216 HydrophobicContact CG1-CD1 3.94Å; G214-L216 VanDerWaalsContact C-N 3.3Å; G214-L216 PolarHBondContact O-N 2.77Å; L216-L219 PolarHBondContact O-N 3.05Å; L216-F220 HydrophobicContact CB-CD2 4.41Å; L216-F220 HydrophobicContact CB-CE2 4.16Å; L216-F220 WeakPolarHBondContact O-CB 3.39Å; L216-F220 WeakPolarHBondContact O-CD2 3.48Å; L216-F220 VanDerWaalsContact O-CG 3.28Å; L216-F220 WeakPolarHBondContact O-CG 3.32Å; L216-F220 PolarHBondContact O-N 3.35Å
217	E	91.1	Very high	88.5	Confident	54 Å²	54	42.5 Å²	42.5	25%	0.252	24%	0.243	S	C	.	.	H	α-helix	trans	-62.3	-47.6	175	-69.3	88.6	156.3	0	0	110.6	R133 W136 G214 L215 L219 F220 E221	R133-E217 IonicContact CZ-OE1 2.7Å; R133-E217 IonicContact NH1-OE1 3.09Å; R133-E217 PolarHBondContact NH1-OE1 3.5Å; R133-E217 IonicContact NH2-OE1 3.75Å; W136-E217 HydrophobicContact CH2-CG 4.49Å; W136-E217 WeakPolarHBondContact CH2-OE1 3.3Å; W136-E217 HydrophobicContact CZ2-CG 4.25Å; G214-E217 VanDerWaalsContact CA-OE2 3.27Å; G214-E217 WeakPolarHBondContact CA-OE2 3.49Å; G214-E217 WeakPolarHBondContact O-CB 3.34Å; G214-E217 PolarHBondContact O-N 3.02Å; G214-E217 VanDerWaalsContact O-N 3.13Å; L215-E217 VanDerWaalsContact C-N 3.34Å; E217-L219 VanDerWaalsContact C-N 3.35Å; E217-L219 PolarHBondContact O-N 3.11Å; E217-F220 PolarHBondContact O-N 3.09Å; E217-F220 VanDerWaalsContact O-N 3.11Å; E217-E221 WeakPolarHBondContact O-CG 3.4Å; E217-E221 PolarHBondContact O-N 2.99Å
218	E	92.6	Very high	86.8	Confident	48 Å²	48	46.3 Å²	46.3	22%	0.224	27%	0.271	C	S	.	.	H	α-helix	trans	-55.8	-46.2	172.9	-68.7	177.6	-124.7	0	0	111.7	G214 F220 E221 N237 R238 F239	G214-E218 PolarHBondContact O-N 3.35Å; G214-E218 VanDerWaalsContact O-N 3.17Å; E218-F220 VanDerWaalsContact C-N 3.33Å; E218-F220 PolarHBondContact O-N 3.08Å; E218-E221 WeakPolarHBondContact O-CB 3.3Å; E218-E221 PolarHBondContact O-N 3.04Å; E218-N237 PolarHBondContact O-ND2 3.38Å; E218-R238 IonicContact OE1-NE 3.47Å; E218-R238 IonicContact OE1-NH2 2.77Å; E218-R238 WeakPolarHBondContact OE2-CD 3.39Å; E218-R238 IonicContact OE2-CZ 3.66Å; E218-R238 IonicContact OE2-NE 3.28Å; E218-R238 PolarHBondContact OE2-NE 3.34Å; E218-R238 IonicContact OE2-NH2 2.99Å; E218-F239 HydrophobicContact CB-CD2 3.82Å; E218-F239 HydrophobicContact CB-CE2 3.94Å
219	L	93.3	Very high	84.9	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-61.1	-40.2	176.4	175.9	64.3	0	0	0	112.3	Y163 I164 L167 M171 F193 L215 L216 E217 L222 F239	Y163-L219 HydrophobicContact CE1-CD2 4.44Å; I164-L219 HydrophobicContact CD1-CD2 3.57Å; L167-L219 HydrophobicContact CD1-CD2 3.85Å; M171-L219 HydrophobicContact CE-CD1 4.13Å; M171-L219 HydrophobicContact CE-CG 3.94Å; M171-L219 WeakPolarHBondContact CE-O 3.36Å; M171-L219 HydrophobicContact SD-CD1 4.31Å; F193-L219 HydrophobicContact CE2-CD2 4.36Å; F193-L219 HydrophobicContact CZ-CD2 4.04Å; L215-L219 WeakPolarHBondContact O-CB 3.38Å; L215-L219 PolarHBondContact O-N 3.42Å; L216-L219 PolarHBondContact O-N 3.05Å; E217-L219 VanDerWaalsContact C-N 3.35Å; E217-L219 PolarHBondContact O-N 3.11Å; L219-L222 HydrophobicContact CD1-CD1 4.22Å; L219-L222 WeakPolarHBondContact O-CB 3.33Å; L219-L222 WeakPolarHBondContact O-CG 3.4Å; L219-L222 PolarHBondContact O-N 3.16Å; L219-F239 HydrophobicContact CB-CB 4.43Å; L219-F239 HydrophobicContact CB-CD1 4.28Å; L219-F239 HydrophobicContact CB-CD2 3.99Å; L219-F239 HydrophobicContact CB-CE2 4.32Å; L219-F239 HydrophobicContact CB-CG 3.97Å; L219-F239 HydrophobicContact CD1-CB 3.84Å; L219-F239 HydrophobicContact CD1-CD1 3.91Å; L219-F239 HydrophobicContact CD1-CG 3.94Å
220	F	91	Very high	82.9	Confident	6 Å²	6	46.3 Å²	46.3	3%	0.026	27%	0.27	C	S	.	.	H	α-helix	trans	-78.7	-15.1	-178.3	-68.1	-42.5	0	0	0	114.4	T19 C21 M140 Y163 L167 M171 L216 E217 E218 L222 R223	T19-F220 HydrophobicContact CG2-CB 4.34Å; C21-F220 HydrophobicContact CB-CE1 4.43Å; C21-F220 HydrophobicContact CB-CZ 4.47Å; C21-F220 WeakPolarHBondContact SG-CE1 3.42Å; M140-F220 HydrophobicContact SD-CE2 3.56Å; M140-F220 VanDerWaalsContact SD-CE2 3.56Å; M140-F220 HydrophobicContact SD-CZ 3.89Å; Y163-F220 WeakPolarHBondContact OH-CZ 3.02Å; L167-F220 HydrophobicContact CD1-CE1 3.97Å; L167-F220 HydrophobicContact CD2-CE1 4.22Å; M171-F220 HydrophobicContact CE-CD1 3.8Å; M171-F220 HydrophobicContact CE-CE1 4.22Å; L216-F220 HydrophobicContact CB-CD2 4.41Å; L216-F220 HydrophobicContact CB-CE2 4.16Å; L216-F220 WeakPolarHBondContact O-CB 3.39Å; L216-F220 WeakPolarHBondContact O-CD2 3.48Å; L216-F220 VanDerWaalsContact O-CG 3.28Å; L216-F220 WeakPolarHBondContact O-CG 3.32Å; L216-F220 PolarHBondContact O-N 3.35Å; E217-F220 PolarHBondContact O-N 3.09Å; E217-F220 VanDerWaalsContact O-N 3.11Å; E218-F220 VanDerWaalsContact C-N 3.33Å; E218-F220 PolarHBondContact O-N 3.08Å; F220-L222 PolarHBondContact O-N 3.44Å; F220-R223 WeakPolarHBondContact O-CB 3.28Å; F220-R223 PolarHBondContact O-N 3.04Å; F220-R223 VanDerWaalsContact O-N 3.14Å
221	E	88.5	Confident	81	Confident	114 Å²	114	51.6 Å²	51.6	53%	0.533	30%	0.297	S	S	.	.	H	α-helix	trans	-58	-33.3	170.1	-75.1	173.2	176.1	0	0	111.6	E217 E218 R223 N224 S225 N237	E217-E221 WeakPolarHBondContact O-CG 3.4Å; E217-E221 PolarHBondContact O-N 2.99Å; E218-E221 WeakPolarHBondContact O-CB 3.3Å; E218-E221 PolarHBondContact O-N 3.04Å; E221-R223 PolarHBondContact O-N 2.9Å; E221-R223 VanDerWaalsContact O-N 3.09Å; E221-N224 PolarHBondContact O-N 3.43Å; E221-S225 PolarHBondContact O-N 2.91Å; E221-N237 PolarHBondContact OE2-ND2 3.04Å
222	L	88.5	Confident	79.3	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.01	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-21.4	177.3	-57.3	177.7	0	0	0	113.9	M171 A173 L174 L219 F220 N224 F239	M171-L222 HydrophobicContact SD-CB 4.18Å; M171-L222 HydrophobicContact SD-CD1 4.48Å; A173-L222 HydrophobicContact CB-CB 4.01Å; A173-L222 WeakPolarHBondContact CB-O 3.49Å; L174-L222 HydrophobicContact CD1-CD1 3.95Å; L174-L222 HydrophobicContact CD2-CD1 4.29Å; L174-L222 HydrophobicContact CG-CD1 4.3Å; L219-L222 HydrophobicContact CD1-CD1 4.22Å; L219-L222 WeakPolarHBondContact O-CB 3.33Å; L219-L222 WeakPolarHBondContact O-CG 3.4Å; L219-L222 PolarHBondContact O-N 3.16Å; F220-L222 PolarHBondContact O-N 3.44Å; L222-N224 VanDerWaalsContact C-N 3.34Å; L222-F239 HydrophobicContact CD1-CB 3.79Å; L222-F239 WeakPolarHBondContact CD1-O 3.21Å
223	R	83	Confident	77.6	Confident	67 Å²	67	58.5 Å²	58.5	25%	0.253	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-31.3	174.6	-176.4	175.6	-78.5	169	2.5	112.2	C21 T170 M171 F220 E221	C21-R223 PolarHBondContact SG-NH1 3.4Å; C21-R223 PolarHBondContact SG-NH2 2.84Å; T170-R223 VanDerWaalsContact CB-NH2 3.34Å; T170-R223 PolarHBondContact O-NE 2.94Å; T170-R223 PolarHBondContact OG1-NH2 3.43Å; M171-R223 HydrophobicContact CG-CB 4.4Å; F220-R223 WeakPolarHBondContact O-CB 3.28Å; F220-R223 PolarHBondContact O-N 3.04Å; F220-R223 VanDerWaalsContact O-N 3.14Å; E221-R223 PolarHBondContact O-N 2.9Å; E221-R223 VanDerWaalsContact O-N 3.09Å
224	N	79.6	Confident	76	Confident	118 Å²	118	62 Å²	62	63%	0.631	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-9.9	-179	-61.8	-40.2	0	0	0	112.4	E221 L222	E221-N224 PolarHBondContact O-N 3.43Å; L222-N224 VanDerWaalsContact C-N 3.34Å
225	S	74.1	Confident	74.8	Confident	22 Å²	22	62.4 Å²	62.4	15%	0.154	34%	0.336	C	S	.	.	S	Bend	trans	-75.9	131.1	176.5	-174.8	0	0	0	0	110.8	E221 G227 N230	E221-S225 PolarHBondContact O-N 2.91Å; S225-G227 PolarHBondContact O-N 3.5Å; S225-N230 VanDerWaalsContact CB-OD1 3.32Å; S225-N230 WeakPolarHBondContact CB-OD1 3.11Å; S225-N230 VanDerWaalsContact OG-CG 3.32Å; S225-N230 PolarHBondContact OG-ND2 3.05Å; S225-N230 PolarHBondContact OG-OD1 2.83Å
226	D	67.9	Low	74.1	Confident	125 Å²	125	70.8 Å²	70.8	67%	0.668	38%	0.375	S	S	*	.			trans	-64.1	127.2	165.4	-71.6	-30.9	0	0	0	107.3	S228 M229	D226-S228 PolarHBondContact O-N 2.83Å; D226-M229 PolarHBondContact O-N 3.15Å
227	G	61.2	Low	74	Confident	33 Å²	33	71.4 Å²	71.4	34%	0.34	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-15.9	-173.5	0	0	0	0	0	115.4	S225	S225-G227 PolarHBondContact O-N 3.5Å
228	S	60	Low	74.1	Confident	91 Å²	91	71.9 Å²	71.9	64%	0.636	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-26.1	171.9	55.3	0	0	0	0	115.1	D226	D226-S228 PolarHBondContact O-N 2.83Å
229	M	54.2	Low	74.2	Confident	125 Å²	125	69.7 Å²	69.7	62%	0.616	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-80.5	-27.5	-172.4	-152.6	169.9	-175.2	0	0	112.3	D226 L231 T232	D226-M229 PolarHBondContact O-N 3.15Å; M229-L231 PolarHBondContact O-N 3.07Å; M229-T232 PolarHBondContact O-N 3.18Å; M229-T232 PolarHBondContact O-OG1 3.45Å
230	N	55.1	Low	74.2	Confident	6 Å²	6	69.6 Å²	69.6	3%	0.032	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-80.7	8.2	-176.7	-58.6	-20	0	0	0	114.8	A173 S225 D235 Y242	A173-N230 WeakPolarHBondContact CA-ND2 3.41Å; A173-N230 WeakPolarHBondContact CB-ND2 3.2Å; S225-N230 VanDerWaalsContact CB-OD1 3.32Å; S225-N230 WeakPolarHBondContact CB-OD1 3.11Å; S225-N230 VanDerWaalsContact OG-CG 3.32Å; S225-N230 PolarHBondContact OG-ND2 3.05Å; S225-N230 PolarHBondContact OG-OD1 2.83Å; N230-D235 PolarHBondContact OD1-OD2 3.13Å; N230-Y242 WeakPolarHBondContact O-CB 2.96Å
231	L	55.5	Low	74.2	Confident	112 Å²	112	70.8 Å²	70.8	59%	0.586	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-108.2	3.1	173.8	-63.3	174.9	0	0	0	111.7	M229	M229-L231 PolarHBondContact O-N 3.07Å
232	T	58.8	Low	74.4	Confident	56 Å²	56	67.6 Å²	67.6	34%	0.344	36%	0.356	S	S	.	.	S	Bend	trans	-97.3	143.2	-176.3	64	0	0	0	0	111.4	M229 T234 D235	M229-T232 PolarHBondContact O-N 3.18Å; M229-T232 PolarHBondContact O-OG1 3.45Å; T232-T234 PolarHBondContact O-N 3.36Å; T232-T234 PolarHBondContact OG1-OG1 2.82Å; T232-D235 PolarHBondContact O-N 3.11Å; T232-D235 VanDerWaalsContact O-N 3.09Å
233	E	59.1	Low	74.6	Confident	169 Å²	169	70.2 Å²	70.2	79%	0.79	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-18.3	177.9	-76.1	173.6	176.7	0	0	114.3	D235 Y242	E233-D235 VanDerWaalsContact C-N 3.33Å; E233-Y242 WeakPolarHBondContact CG-OH 3.49Å
234	T	61.1	Low	75.2	Confident	118 Å²	118	67 Å²	67	72%	0.724	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-4.1	-179.6	49.8	0	0	0	0	114.4	T232 E236	T232-T234 PolarHBondContact O-N 3.36Å; T232-T234 PolarHBondContact OG1-OG1 2.82Å; T234-E236 PolarHBondContact O-N 3.37Å
235	D	67.5	Low	75.9	Confident	34 Å²	34	64.1 Å²	64.1	18%	0.182	34%	0.342	C	S	.	.			trans	-83.6	98.4	178.5	-166.4	0.8	0	0	0	111.1	N230 T232 E233 N237 S240	N230-D235 PolarHBondContact OD1-OD2 3.13Å; T232-D235 PolarHBondContact O-N 3.11Å; T232-D235 VanDerWaalsContact O-N 3.09Å; E233-D235 VanDerWaalsContact C-N 3.33Å; D235-N237 PolarHBondContact O-N 3.31Å; D235-N237 WeakPolarHBondContact OD1-CB 3.31Å; D235-N237 PolarHBondContact OD1-N 3Å; D235-S240 VanDerWaalsContact OD2-CB 3.24Å; D235-S240 WeakPolarHBondContact OD2-CB 3.49Å
236	E	80.3	Confident	76.9	Confident	185 Å²	185	66.9 Å²	66.9	86%	0.864	35%	0.352	S	S	*	.			trans	-78	-1.7	176	-63.4	-179.4	172.6	0	0	112.8	T234 R238	T234-E236 PolarHBondContact O-N 3.37Å; E236-R238 PolarHBondContact O-N 2.89Å
237	N	91	Very high	78.3	Confident	13 Å²	13	61.4 Å²	61.4	7%	0.07	32%	0.323	C	S	.	.			trans	-69.4	116.2	-177.8	-171	-44.4	0	0	0	110.8	E218 E221 D235 F239 S240	E218-N237 PolarHBondContact O-ND2 3.38Å; E221-N237 PolarHBondContact OE2-ND2 3.04Å; D235-N237 PolarHBondContact O-N 3.31Å; D235-N237 WeakPolarHBondContact OD1-CB 3.31Å; D235-N237 PolarHBondContact OD1-N 3Å; N237-F239 PolarHBondContact O-N 2.93Å; N237-F239 VanDerWaalsContact O-N 3.11Å; N237-F239 WeakPolarHBondContact OD1-CB 3.31Å; N237-F239 PolarHBondContact OD1-N 3.44Å; N237-S240 VanDerWaalsContact O-CB 3.24Å; N237-S240 WeakPolarHBondContact O-CB 3.27Å; N237-S240 PolarHBondContact O-N 3.5Å; N237-S240 PolarHBondContact O-OG 3.48Å
238	R	94	Very high	80	Confident	65 Å²	65	62.6 Å²	62.6	25%	0.245	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-12.3	-178.4	72.9	-174.2	78.9	-149.1	-5	115.1	N192 E218 E236 F243	N192-R238 VanDerWaalsContact OD1-CD 3.27Å; N192-R238 WeakPolarHBondContact OD1-CD 3.24Å; E218-R238 IonicContact OE1-NE 3.47Å; E218-R238 IonicContact OE1-NH2 2.77Å; E218-R238 WeakPolarHBondContact OE2-CD 3.39Å; E218-R238 IonicContact OE2-CZ 3.66Å; E218-R238 IonicContact OE2-NE 3.28Å; E218-R238 PolarHBondContact OE2-NE 3.34Å; E218-R238 IonicContact OE2-NH2 2.99Å; E236-R238 PolarHBondContact O-N 2.89Å; R238-F243 HydrophobicContact CB-CD1 4.4Å; R238-F243 HydrophobicContact CB-CE1 4.35Å; R238-F243 HydrophobicContact CB-CZ 4.46Å; R238-F243 WeakPolarHBondContact O-CD1 3.47Å
239	F	94.7	Very high	81.7	Confident	1 Å²	1	59.5 Å²	59.5	0%	0.004	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-2.7	174.5	-63	-79	0	0	0	112.8	Y185 A189 N192 F193 L215 E218 L219 L222 N237	Y185-F239 VanDerWaalsContact CE2-O 3.23Å; Y185-F239 WeakPolarHBondContact CE2-O 3.25Å; Y185-F239 PolarHBondContact OH-O 2.94Å; A189-F239 HydrophobicContact CB-CD1 4.14Å; N192-F239 HydrophobicContact CB-CE1 4.01Å; N192-F239 HydrophobicContact CB-CZ 4.08Å; F193-F239 HydrophobicContact CD1-CZ 4.31Å; F193-F239 HydrophobicContact CD2-CE1 4.1Å; F193-F239 HydrophobicContact CD2-CZ 4.48Å; F193-F239 HydrophobicContact CE1-CE1 4.17Å; F193-F239 AromaticContact CE1-CZ 3.73Å; F193-F239 HydrophobicContact CE1-CZ 3.73Å; F193-F239 HydrophobicContact CE2-CD1 4.39Å; F193-F239 AromaticContact CE2-CE1 3.41Å; F193-F239 HydrophobicContact CE2-CE1 3.41Å; F193-F239 VanDerWaalsContact CE2-CE1 3.41Å; F193-F239 AromaticContact CE2-CZ 3.86Å; F193-F239 HydrophobicContact CE2-CZ 3.86Å; F193-F239 HydrophobicContact CZ-CD1 4.49Å; F193-F239 AromaticContact CZ-CE1 3.48Å; F193-F239 HydrophobicContact CZ-CE1 3.48Å; F193-F239 VanDerWaalsContact CZ-CE1 3.48Å; F193-F239 HydrophobicContact CZ-CE2 4.46Å; F193-F239 AromaticContact CZ-CZ 3.46Å; F193-F239 HydrophobicContact CZ-CZ 3.46Å; F193-F239 VanDerWaalsContact CZ-CZ 3.46Å; L215-F239 HydrophobicContact CB-CE2 4.14Å; L215-F239 HydrophobicContact CB-CZ 4.05Å; L215-F239 HydrophobicContact CD2-CE2 4.18Å; L215-F239 HydrophobicContact CD2-CZ 4.33Å; L215-F239 WeakPolarHBondContact O-CE2 3.27Å; E218-F239 HydrophobicContact CB-CD2 3.82Å; E218-F239 HydrophobicContact CB-CE2 3.94Å; L219-F239 HydrophobicContact CB-CB 4.43Å; L219-F239 HydrophobicContact CB-CD1 4.28Å; L219-F239 HydrophobicContact CB-CD2 3.99Å; L219-F239 HydrophobicContact CB-CE2 4.32Å; L219-F239 HydrophobicContact CB-CG 3.97Å; L219-F239 HydrophobicContact CD1-CB 3.84Å; L219-F239 HydrophobicContact CD1-CD1 3.91Å; L219-F239 HydrophobicContact CD1-CG 3.94Å; L222-F239 HydrophobicContact CD1-CB 3.79Å; L222-F239 WeakPolarHBondContact CD1-O 3.21Å; N237-F239 PolarHBondContact O-N 2.93Å; N237-F239 VanDerWaalsContact O-N 3.11Å; N237-F239 WeakPolarHBondContact OD1-CB 3.31Å; N237-F239 PolarHBondContact OD1-N 3.44Å
240	S	92.6	Very high	83.8	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.288	C	S	.	.	S	Bend	trans	-62.7	152.2	176.8	68	0	0	0	0	111.8	D235 N237 Y242 F243 A244	D235-S240 VanDerWaalsContact OD2-CB 3.24Å; D235-S240 WeakPolarHBondContact OD2-CB 3.49Å; N237-S240 VanDerWaalsContact O-CB 3.24Å; N237-S240 WeakPolarHBondContact O-CB 3.27Å; N237-S240 PolarHBondContact O-N 3.5Å; N237-S240 PolarHBondContact O-OG 3.48Å; S240-Y242 PolarHBondContact O-N 3.43Å; S240-F243 PolarHBondContact O-N 3.37Å; S240-F243 WeakPolarHBondContact OG-CB 3.2Å; S240-F243 PolarHBondContact OG-N 3.18Å; S240-A244 PolarHBondContact O-N 2.93Å
241	Q	92.4	Very high	85.9	Confident	30 Å²	30	57 Å²	57	14%	0.14	29%	0.287	C	S	.	.	H	α-helix	trans	-60.1	-36.5	171.4	-177.8	179.1	-16.6	0	0	110.8	L174 M177 F181 A244 T245	L174-Q241 HydrophobicContact CD2-CB 4.06Å; M177-Q241 HydrophobicContact CG-CG 4.35Å; M177-Q241 HydrophobicContact SD-CG 4.05Å; F181-Q241 HydrophobicContact CE1-CG 4.33Å; Q241-A244 PolarHBondContact O-N 2.99Å; Q241-T245 WeakPolarHBondContact O-CB 3.35Å; Q241-T245 PolarHBondContact O-N 3.44Å; Q241-T245 PolarHBondContact O-OG1 2.88Å
242	Y	91	Very high	87.9	Confident	47 Å²	47	55.2 Å²	55.2	18%	0.184	28%	0.277	C	S	.	.	H	α-helix	trans	-59	-49.7	176.8	178.8	-98.3	0	0	0	112.4	N230 E233 S240 A244 T245 Q246	N230-Y242 WeakPolarHBondContact O-CB 2.96Å; E233-Y242 WeakPolarHBondContact CG-OH 3.49Å; S240-Y242 PolarHBondContact O-N 3.43Å; Y242-A244 VanDerWaalsContact C-N 3.35Å; Y242-A244 PolarHBondContact O-N 2.95Å; Y242-T245 CarbonylContact O-C 3.59Å; Y242-T245 WeakPolarHBondContact O-CA 3.32Å; Y242-T245 WeakPolarHBondContact O-CB 3.48Å; Y242-T245 PolarHBondContact O-N 3.45Å; Y242-Q246 HydrophobicContact CD1-CG 4.09Å; Y242-Q246 HydrophobicContact CE1-CG 3.62Å; Y242-Q246 HydrophobicContact CE2-CG 4.13Å; Y242-Q246 HydrophobicContact CG-CG 4.5Å; Y242-Q246 VanDerWaalsContact CZ-NE2 3.33Å; Y242-Q246 WeakPolarHBondContact O-CG 3.41Å; Y242-Q246 PolarHBondContact O-N 3.21Å; Y242-Q246 PolarHBondContact OH-NE2 3.3Å
243	F	93.5	Very high	89.7	Confident	57 Å²	57	59.2 Å²	59.2	25%	0.25	30%	0.296	C	S	.	.	H	α-helix	trans	-56.8	-47.3	178.5	-179	-93.9	0	0	0	112.1	V188 R238 S240 T245 Q246 L247 L304	V188-F243 HydrophobicContact CG1-CD1 3.85Å; V188-F243 HydrophobicContact CG1-CE1 3.87Å; R238-F243 HydrophobicContact CB-CD1 4.4Å; R238-F243 HydrophobicContact CB-CE1 4.35Å; R238-F243 HydrophobicContact CB-CZ 4.46Å; R238-F243 WeakPolarHBondContact O-CD1 3.47Å; S240-F243 PolarHBondContact O-N 3.37Å; S240-F243 WeakPolarHBondContact OG-CB 3.2Å; S240-F243 PolarHBondContact OG-N 3.18Å; F243-T245 VanDerWaalsContact C-N 3.3Å; F243-T245 PolarHBondContact O-N 3.46Å; F243-Q246 PolarHBondContact O-N 2.82Å; F243-L247 HydrophobicContact CD1-CD1 4.09Å; F243-L247 HydrophobicContact CE1-CD1 3.42Å; F243-L247 VanDerWaalsContact CE1-CD1 3.42Å; F243-L247 HydrophobicContact CE1-CG 4.27Å; F243-L247 HydrophobicContact CZ-CD1 3.88Å; F243-L247 HydrophobicContact CZ-CG 4.44Å; F243-L247 PolarHBondContact O-N 2.88Å; F243-L247 VanDerWaalsContact O-N 3.14Å; F243-L304 HydrophobicContact CZ-CD2 4.49Å
244	A	95.8	Very high	91.6	Very high	1 Å²	1	52 Å²	52	1%	0.008	26%	0.263	C	S	.	.	H	α-helix	trans	-62.7	-37.6	175.9	0	0	0	0	0	112.3	F181 Y185 V188 S240 Q241 Y242 L247 Y248	F181-A244 HydrophobicContact CE1-CB 4.2Å; F181-A244 HydrophobicContact CZ-CB 4Å; Y185-A244 HydrophobicContact CD2-CB 3.75Å; Y185-A244 HydrophobicContact CE2-CB 4.46Å; V188-A244 HydrophobicContact CB-CB 4.09Å; V188-A244 HydrophobicContact CG1-CB 4.12Å; V188-A244 HydrophobicContact CG2-CB 4.17Å; S240-A244 PolarHBondContact O-N 2.93Å; Q241-A244 PolarHBondContact O-N 2.99Å; Y242-A244 VanDerWaalsContact C-N 3.35Å; Y242-A244 PolarHBondContact O-N 2.95Å; A244-L247 PolarHBondContact O-N 3.44Å; A244-Y248 WeakPolarHBondContact O-CB 3.3Å; A244-Y248 PolarHBondContact O-N 2.86Å
245	T	94.5	Very high	93.3	Very high	56 Å²	56	46.7 Å²	46.7	34%	0.344	23%	0.23	S	C	.	.	H	α-helix	trans	-66.5	-38.8	178.4	-57	0	0	0	0	111.1	Q241 Y242 F243 Y248 G249	Q241-T245 WeakPolarHBondContact O-CB 3.35Å; Q241-T245 PolarHBondContact O-N 3.44Å; Q241-T245 PolarHBondContact O-OG1 2.88Å; Y242-T245 CarbonylContact O-C 3.59Å; Y242-T245 WeakPolarHBondContact O-CA 3.32Å; Y242-T245 WeakPolarHBondContact O-CB 3.48Å; Y242-T245 PolarHBondContact O-N 3.45Å; F243-T245 VanDerWaalsContact C-N 3.3Å; F243-T245 PolarHBondContact O-N 3.46Å; T245-Y248 PolarHBondContact O-N 3.33Å; T245-G249 PolarHBondContact O-N 3.12Å
246	Q	94.4	Very high	94.7	Very high	80 Å²	80	49.6 Å²	49.6	37%	0.374	25%	0.253	S	S	.	.	H	α-helix	trans	-63.2	-48	175	-68.7	-57.5	-48.3	0	0	111.4	Y242 F243 Y248 G249 Q250	Y242-Q246 HydrophobicContact CD1-CG 4.09Å; Y242-Q246 HydrophobicContact CE1-CG 3.62Å; Y242-Q246 HydrophobicContact CE2-CG 4.13Å; Y242-Q246 HydrophobicContact CG-CG 4.5Å; Y242-Q246 VanDerWaalsContact CZ-NE2 3.33Å; Y242-Q246 WeakPolarHBondContact O-CG 3.41Å; Y242-Q246 PolarHBondContact O-N 3.21Å; Y242-Q246 PolarHBondContact OH-NE2 3.3Å; F243-Q246 PolarHBondContact O-N 2.82Å; Q246-Y248 VanDerWaalsContact C-N 3.34Å; Q246-Y248 PolarHBondContact O-N 3.08Å; Q246-G249 PolarHBondContact O-N 3.48Å; Q246-Q250 VanDerWaalsContact O-CG 3.29Å; Q246-Q250 WeakPolarHBondContact O-CG 3.4Å; Q246-Q250 PolarHBondContact O-N 3.14Å
247	L	96.6	Very high	95.5	Very high	10 Å²	10	45.3 Å²	45.3	5%	0.052	24%	0.236	C	C	.	.	H	α-helix	trans	-60.8	-43.4	176.3	-77	175.6	0	0	0	112.1	V188 F243 A244 Q250 F251 F299	V188-L247 HydrophobicContact CG1-CD1 3.87Å; V188-L247 HydrophobicContact CG2-CD1 4.06Å; F243-L247 HydrophobicContact CD1-CD1 4.09Å; F243-L247 HydrophobicContact CE1-CD1 3.42Å; F243-L247 VanDerWaalsContact CE1-CD1 3.42Å; F243-L247 HydrophobicContact CE1-CG 4.27Å; F243-L247 HydrophobicContact CZ-CD1 3.88Å; F243-L247 HydrophobicContact CZ-CG 4.44Å; F243-L247 PolarHBondContact O-N 2.88Å; F243-L247 VanDerWaalsContact O-N 3.14Å; A244-L247 PolarHBondContact O-N 3.44Å; L247-Q250 PolarHBondContact O-N 3.14Å; L247-F251 PolarHBondContact O-N 3.3Å; L247-F299 HydrophobicContact CD2-CE1 4.33Å; L247-F299 WeakPolarHBondContact O-CE1 3.4Å
248	Y	97.2	Very high	95.7	Very high	58 Å²	58	49.1 Å²	49.1	23%	0.227	26%	0.263	C	S	.	.	H	α-helix	trans	-64.6	-43.5	176.6	-177.3	-110.6	0	0	0	112.3	F181 Y184 A244 T245 Q246 Q250 F251 M252 F296	F181-Y248 HydrophobicContact CD2-CD1 4.14Å; F181-Y248 HydrophobicContact CD2-CG 4.39Å; F181-Y248 AromaticContact CE2-CD1 3.75Å; F181-Y248 HydrophobicContact CE2-CD1 3.75Å; F181-Y248 HydrophobicContact CE2-CD2 4.46Å; F181-Y248 AromaticContact CE2-CG 3.7Å; F181-Y248 HydrophobicContact CE2-CG 3.7Å; Y184-Y248 AromaticContact CD1-CD2 3.59Å; Y184-Y248 HydrophobicContact CD1-CD2 3.59Å; Y184-Y248 AromaticContact CD1-CE2 3.56Å; Y184-Y248 HydrophobicContact CD1-CE2 3.56Å; Y184-Y248 HydrophobicContact CD2-CD2 4.21Å; Y184-Y248 AromaticContact CD2-CE2 3.88Å; Y184-Y248 HydrophobicContact CD2-CE2 3.88Å; Y184-Y248 AromaticContact CE1-CD2 3.93Å; Y184-Y248 HydrophobicContact CE1-CD2 3.93Å; Y184-Y248 AromaticContact CE1-CE2 3.41Å; Y184-Y248 HydrophobicContact CE1-CE2 3.41Å; Y184-Y248 VanDerWaalsContact CE1-CE2 3.41Å; Y184-Y248 HydrophobicContact CE2-CD2 4.48Å; Y184-Y248 AromaticContact CE2-CE2 3.71Å; Y184-Y248 HydrophobicContact CE2-CE2 3.71Å; Y184-Y248 AromaticContact CE2-CZ 3.94Å; Y184-Y248 AromaticContact CG-CD2 3.75Å; Y184-Y248 HydrophobicContact CG-CD2 3.75Å; Y184-Y248 AromaticContact CG-CE2 3.8Å; Y184-Y248 HydrophobicContact CG-CE2 3.8Å; Y184-Y248 AromaticContact CZ-CE2 3.46Å; Y184-Y248 VanDerWaalsContact CZ-CE2 3.46Å; A244-Y248 WeakPolarHBondContact O-CB 3.3Å; A244-Y248 PolarHBondContact O-N 2.86Å; T245-Y248 PolarHBondContact O-N 3.33Å; Q246-Y248 VanDerWaalsContact C-N 3.34Å; Q246-Y248 PolarHBondContact O-N 3.08Å; Y248-Q250 VanDerWaalsContact C-N 3.35Å; Y248-Q250 PolarHBondContact O-N 3.37Å; Y248-F251 WeakPolarHBondContact O-CB 3.5Å; Y248-F251 PolarHBondContact O-N 3.16Å; Y248-M252 HydrophobicContact CD1-CG 4.23Å; Y248-M252 HydrophobicContact CD2-CG 4.39Å; Y248-M252 HydrophobicContact CE1-CG 3.85Å; Y248-M252 HydrophobicContact CE1-SD 4.45Å; Y248-M252 HydrophobicContact CE2-CG 4.01Å; Y248-M252 HydrophobicContact CE2-SD 4.01Å; Y248-M252 HydrophobicContact CG-CG 4.49Å; Y248-M252 VanDerWaalsContact O-CG 3.3Å; Y248-M252 WeakPolarHBondContact O-CG 3.31Å; Y248-M252 PolarHBondContact O-N 3.48Å; Y248-F296 HydrophobicContact CD2-CD2 4.45Å; Y248-F296 HydrophobicContact CD2-CE2 4.07Å; Y248-F296 HydrophobicContact CD2-CZ 4.31Å
249	G	96.7	Very high	95.8	Very high	27 Å²	27	49.2 Å²	49.2	28%	0.278	27%	0.269	S	S	.	.	H	α-helix	trans	-61.2	-41.3	175.3	0	0	0	0	0	112.6	T245 Q246 M252 N253	T245-G249 PolarHBondContact O-N 3.12Å; Q246-G249 PolarHBondContact O-N 3.48Å; G249-M252 PolarHBondContact O-N 3.15Å; G249-N253 WeakPolarHBondContact O-CB 3.33Å; G249-N253 PolarHBondContact O-N 3.39Å; G249-N253 PolarHBondContact O-ND2 2.72Å
250	Q	97.7	Very high	95.9	Very high	73 Å²	73	50.9 Å²	50.9	34%	0.341	29%	0.287	S	S	.	.	H	α-helix	trans	-61.1	-46.6	174	-72.7	173.4	12.5	0	0	111.6	Q246 L247 Y248 M252 N253 L254 F299	Q246-Q250 VanDerWaalsContact O-CG 3.29Å; Q246-Q250 WeakPolarHBondContact O-CG 3.4Å; Q246-Q250 PolarHBondContact O-N 3.14Å; L247-Q250 PolarHBondContact O-N 3.14Å; Y248-Q250 VanDerWaalsContact C-N 3.35Å; Y248-Q250 PolarHBondContact O-N 3.37Å; Q250-M252 PolarHBondContact O-N 2.92Å; Q250-N253 PolarHBondContact O-N 3.46Å; Q250-L254 VanDerWaalsContact O-CG 3.32Å; Q250-L254 WeakPolarHBondContact O-CG 3.29Å; Q250-L254 PolarHBondContact O-N 2.91Å; Q250-L254 VanDerWaalsContact O-N 3.16Å; Q250-F299 HydrophobicContact CB-CE1 4.38Å; Q250-F299 HydrophobicContact CB-CZ 3.98Å
251	F	98.4	Very high	96.1	Very high	5 Å²	5	53.3 Å²	53.3	2%	0.022	30%	0.299	C	S	.	.	H	α-helix	trans	-57.4	-50.1	176.2	-179.3	-93	0	0	0	111.6	L247 Y248 N253 L254 D255 G260 L262 F296 F299	L247-F251 PolarHBondContact O-N 3.3Å; Y248-F251 WeakPolarHBondContact O-CB 3.5Å; Y248-F251 PolarHBondContact O-N 3.16Å; F251-N253 VanDerWaalsContact C-N 3.28Å; F251-N253 PolarHBondContact O-N 3.49Å; F251-L254 PolarHBondContact O-N 2.77Å; F251-D255 HydrophobicContact CE1-CB 4.5Å; F251-D255 PolarHBondContact O-N 3.34Å; F251-G260 WeakPolarHBondContact CZ-O 3.49Å; F251-L262 HydrophobicContact CD2-CD1 3.61Å; F251-L262 HydrophobicContact CD2-CD2 4.4Å; F251-L262 HydrophobicContact CD2-CG 3.9Å; F251-L262 HydrophobicContact CE2-CD1 3.71Å; F251-L262 HydrophobicContact CE2-CD2 4.25Å; F251-L262 HydrophobicContact CE2-CG 3.54Å; F251-L262 HydrophobicContact CZ-CG 4.16Å; F251-F296 HydrophobicContact CB-CD2 3.81Å; F251-F296 HydrophobicContact CB-CE2 3.97Å; F251-F296 HydrophobicContact CD1-CD2 4.01Å; F251-F296 HydrophobicContact CD2-CB 4.46Å; F251-F296 AromaticContact CD2-CD2 3.82Å; F251-F296 HydrophobicContact CD2-CD2 3.82Å; F251-F296 HydrophobicContact CE1-CB 4.47Å; F251-F296 HydrophobicContact CE2-CB 4.18Å; F251-F296 HydrophobicContact CE2-CD2 4.38Å; F251-F296 AromaticContact CG-CD2 3.61Å; F251-F296 HydrophobicContact CG-CD2 3.61Å; F251-F296 HydrophobicContact CG-CE2 4.28Å; F251-F296 HydrophobicContact CZ-CB 4.2Å; F251-F299 HydrophobicContact CB-CD1 3.86Å; F251-F299 HydrophobicContact CB-CE1 3.88Å; F251-F299 HydrophobicContact CB-CG 4.44Å; F251-F299 HydrophobicContact CB-CZ 4.46Å; F251-F299 HydrophobicContact CD2-CB 3.65Å; F251-F299 AromaticContact CD2-CD1 3.82Å; F251-F299 HydrophobicContact CD2-CD1 3.82Å; F251-F299 HydrophobicContact CD2-CD2 4.24Å; F251-F299 AromaticContact CD2-CG 3.63Å; F251-F299 HydrophobicContact CD2-CG 3.63Å; F251-F299 HydrophobicContact CE2-CB 4.02Å; F251-F299 HydrophobicContact CE2-CG 4.45Å; F251-F299 HydrophobicContact CG-CD1 4.32Å
252	M	97.6	Very high	96.4	Very high	75 Å²	75	51.9 Å²	51.9	37%	0.369	29%	0.292	S	S	.	.	H	α-helix	trans	-63.9	-30.6	179.6	-68	-61.2	-56.3	0	0	113.3	Y248 G249 Q250 L254	Y248-M252 HydrophobicContact CD1-CG 4.23Å; Y248-M252 HydrophobicContact CD2-CG 4.39Å; Y248-M252 HydrophobicContact CE1-CG 3.85Å; Y248-M252 HydrophobicContact CE1-SD 4.45Å; Y248-M252 HydrophobicContact CE2-CG 4.01Å; Y248-M252 HydrophobicContact CE2-SD 4.01Å; Y248-M252 HydrophobicContact CG-CG 4.49Å; Y248-M252 VanDerWaalsContact O-CG 3.3Å; Y248-M252 WeakPolarHBondContact O-CG 3.31Å; Y248-M252 PolarHBondContact O-N 3.48Å; G249-M252 PolarHBondContact O-N 3.15Å; Q250-M252 PolarHBondContact O-N 2.92Å; M252-L254 VanDerWaalsContact C-N 3.31Å
253	N	97.9	Very high	96.8	Very high	140 Å²	140	50.8 Å²	50.8	75%	0.749	29%	0.291	S	S	*	.	H	α-helix	trans	-73.5	-25.5	175.7	-72.3	-23	0	0	0	112.5	G249 Q250 F251	G249-N253 WeakPolarHBondContact O-CB 3.33Å; G249-N253 PolarHBondContact O-N 3.39Å; G249-N253 PolarHBondContact O-ND2 2.72Å; Q250-N253 PolarHBondContact O-N 3.46Å; F251-N253 VanDerWaalsContact C-N 3.28Å; F251-N253 PolarHBondContact O-N 3.49Å
254	L	98.4	Very high	97	Very high	18 Å²	18	49.2 Å²	49.2	9%	0.094	29%	0.286	C	S	.	.	H	α-helix	trans	-84.3	-37.2	176.3	-64.3	170.3	0	0	0	111.8	Q250 F251 M252 S256 L262 E266 L267 N269 Y270 F299	Q250-L254 VanDerWaalsContact O-CG 3.32Å; Q250-L254 WeakPolarHBondContact O-CG 3.29Å; Q250-L254 PolarHBondContact O-N 2.91Å; Q250-L254 VanDerWaalsContact O-N 3.16Å; F251-L254 PolarHBondContact O-N 2.77Å; M252-L254 VanDerWaalsContact C-N 3.31Å; L254-S256 VanDerWaalsContact C-N 3.33Å; L254-S256 PolarHBondContact O-N 2.95Å; L254-L262 HydrophobicContact CB-CD1 4.26Å; L254-L262 HydrophobicContact CB-CD2 3.58Å; L254-L262 HydrophobicContact CD1-CD1 4.2Å; L254-E266 WeakPolarHBondContact CD2-O 3.36Å; L254-E266 VanDerWaalsContact O-CB 3.31Å; L254-E266 WeakPolarHBondContact O-CB 3.47Å; L254-E266 WeakPolarHBondContact O-CG 3.37Å; L254-L267 HydrophobicContact CD1-CD1 4.38Å; L254-N269 VanDerWaalsContact CD2-C 3.42Å; L254-N269 HydrophobicContact CD2-CB 3.72Å; L254-Y270 HydrophobicContact CD1-CD2 4.25Å; L254-F299 HydrophobicContact CD1-CE2 3.69Å; L254-F299 HydrophobicContact CD1-CZ 4.25Å
255	D	98	Very high	97.1	Very high	5 Å²	5	54.5 Å²	54.5	3%	0.027	31%	0.311	C	S	.	.			trans	-70.6	82.4	177.4	179.2	6.3	0	0	0	111	F251 D257 S258 N259 G260 L262	F251-D255 HydrophobicContact CE1-CB 4.5Å; F251-D255 PolarHBondContact O-N 3.34Å; D255-D257 VanDerWaalsContact OD1-OD1 3.11Å; D255-S258 PolarHBondContact O-N 3.31Å; D255-S258 WeakPolarHBondContact OD1-CA 3.42Å; D255-S258 PolarHBondContact OD1-N 3.44Å; D255-N259 PolarHBondContact OD1-N 2.95Å; D255-G260 VanDerWaalsContact OD2-CA 3.25Å; D255-G260 WeakPolarHBondContact OD2-CA 3.5Å; D255-G260 PolarHBondContact OD2-N 3.5Å; D255-L262 HydrophobicContact CB-CD2 3.81Å; D255-L262 VanDerWaalsContact N-CD2 3.33Å
256	S	96.8	Very high	97.3	Very high	96 Å²	96	52.2 Å²	52.2	67%	0.671	30%	0.296	S	S	*	.	S	Bend	trans	-78.1	-26.7	-169.5	69.1	0	0	0	0	113.3	L254 E266	L254-S256 VanDerWaalsContact C-N 3.33Å; L254-S256 PolarHBondContact O-N 2.95Å; S256-E266 WeakPolarHBondContact CB-OE1 3.34Å; S256-E266 PolarHBondContact N-OE1 3.01Å; S256-E266 PolarHBondContact OG-OE1 3.47Å
257	D	96.8	Very high	97.5	Very high	95 Å²	95	48.4 Å²	48.4	51%	0.508	28%	0.278	S	S	.	.	S	Bend	trans	-92.2	-6	175.5	78.2	-4.2	0	0	0	113.1	D255 N259 E266	D255-D257 VanDerWaalsContact OD1-OD1 3.11Å; D257-N259 VanDerWaalsContact C-N 3.29Å; D257-N259 PolarHBondContact O-N 3.41Å; D257-N259 WeakPolarHBondContact OD1-CB 3.11Å; D257-N259 PolarHBondContact OD1-N 3.2Å; D257-N259 PolarHBondContact OD1-ND2 3.47Å; D257-N259 VanDerWaalsContact OD1-ND2 3.09Å; D257-N259 PolarHBondContact OD2-ND2 3.4Å; D257-E266 PolarHBondContact N-OE1 2.86Å
258	S	95.4	Very high	97.5	Very high	92 Å²	92	50.4 Å²	50.4	64%	0.643	29%	0.288	S	S	*	.			trans	60	35.6	178.6	-56.3	0	0	0	0	113.2	D255	D255-S258 PolarHBondContact O-N 3.31Å; D255-S258 WeakPolarHBondContact OD1-CA 3.42Å; D255-S258 PolarHBondContact OD1-N 3.44Å
259	N	96.4	Very high	97.6	Very high	67 Å²	67	52.2 Å²	52.2	36%	0.358	30%	0.301	S	S	.	.	S	Bend	trans	-86.4	-7.7	178.8	77.7	21	0	0	0	113.4	D255 D257 M261 E293	D255-N259 PolarHBondContact OD1-N 2.95Å; D257-N259 VanDerWaalsContact C-N 3.29Å; D257-N259 PolarHBondContact O-N 3.41Å; D257-N259 WeakPolarHBondContact OD1-CB 3.11Å; D257-N259 PolarHBondContact OD1-N 3.2Å; D257-N259 PolarHBondContact OD1-ND2 3.47Å; D257-N259 VanDerWaalsContact OD1-ND2 3.09Å; D257-N259 PolarHBondContact OD2-ND2 3.4Å; N259-M261 WeakPolarHBondContact OD1-CA 3.28Å; N259-M261 VanDerWaalsContact OD1-CB 3.27Å; N259-M261 WeakPolarHBondContact OD1-CB 3.4Å; N259-M261 PolarHBondContact OD1-N 2.9Å; N259-M261 PolarHBondContact OD1-O 3.21Å; N259-E293 PolarHBondContact ND2-OE1 2.83Å; N259-E293 PolarHBondContact ND2-OE2 3.42Å
260	G	95.7	Very high	97.6	Very high	37 Å²	37	51.8 Å²	51.8	38%	0.381	29%	0.292	S	S	.	.	S	Bend	trans	85.2	11.1	-179.6	0	0	0	0	0	114.5	F251 D255	F251-G260 WeakPolarHBondContact CZ-O 3.49Å; D255-G260 VanDerWaalsContact OD2-CA 3.25Å; D255-G260 WeakPolarHBondContact OD2-CA 3.5Å; D255-G260 PolarHBondContact OD2-N 3.5Å
261	M	97.9	Very high	97.5	Very high	51 Å²	51	51.6 Å²	51.6	25%	0.251	31%	0.31	S	S	.	.	S	Bend	trans	-134.5	166.8	178.2	-54.9	-71	178.2	0	0	109.6	N259 E293 M294 D295	N259-M261 WeakPolarHBondContact OD1-CA 3.28Å; N259-M261 VanDerWaalsContact OD1-CB 3.27Å; N259-M261 WeakPolarHBondContact OD1-CB 3.4Å; N259-M261 PolarHBondContact OD1-N 2.9Å; N259-M261 PolarHBondContact OD1-O 3.21Å; M261-E293 HydrophobicContact CB-CB 3.65Å; M261-E293 HydrophobicContact CG-CB 4.35Å; M261-M294 CarbonylContact C-O 3.5Å; M261-M294 WeakPolarHBondContact CA-O 3.44Å; M261-D295 HydrophobicContact CE-CB 4.21Å; M261-D295 VanDerWaalsContact SD-CA 3.52Å; M261-D295 HydrophobicContact SD-CB 3.52Å; M261-D295 VanDerWaalsContact SD-CB 3.52Å
262	L	98.5	Very high	97.3	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-117.2	126.2	174.8	-61	178.3	0	0	0	110.6	F251 L254 D255 E266 L267 F284 E293 M294 F299	F251-L262 HydrophobicContact CD2-CD1 3.61Å; F251-L262 HydrophobicContact CD2-CD2 4.4Å; F251-L262 HydrophobicContact CD2-CG 3.9Å; F251-L262 HydrophobicContact CE2-CD1 3.71Å; F251-L262 HydrophobicContact CE2-CD2 4.25Å; F251-L262 HydrophobicContact CE2-CG 3.54Å; F251-L262 HydrophobicContact CZ-CG 4.16Å; L254-L262 HydrophobicContact CB-CD1 4.26Å; L254-L262 HydrophobicContact CB-CD2 3.58Å; L254-L262 HydrophobicContact CD1-CD1 4.2Å; D255-L262 HydrophobicContact CB-CD2 3.81Å; D255-L262 VanDerWaalsContact N-CD2 3.33Å; L262-E266 HydrophobicContact CD2-CB 4.29Å; L262-L267 HydrophobicContact CD1-CD1 4.01Å; L262-F284 VanDerWaalsContact O-CE1 3.24Å; L262-F284 WeakPolarHBondContact O-CE1 3.1Å; L262-F284 VanDerWaalsContact O-CZ 3.25Å; L262-F284 WeakPolarHBondContact O-CZ 3.4Å; L262-E293 WeakPolarHBondContact O-CA 3.28Å; L262-M294 HydrophobicContact CB-CB 4.43Å; L262-M294 PolarHBondContact N-O 3.11Å; L262-M294 PolarHBondContact O-N 2.77Å; L262-F299 HydrophobicContact CD1-CB 4.39Å; L262-F299 HydrophobicContact CD1-CD2 3.63Å; L262-F299 HydrophobicContact CD1-CE2 4.24Å; L262-F299 HydrophobicContact CD1-CG 4.21Å
263	S	98.1	Very high	97.2	Very high	23 Å²	23	52.2 Å²	52.2	16%	0.161	33%	0.327	C	S	.	.			trans	-75.2	170.3	166.4	65.1	0	0	0	0	112.1	E265 E266 L267 F284	S263-E265 VanDerWaalsContact C-N 3.31Å; S263-E265 PolarHBondContact O-N 2.98Å; S263-E266 WeakPolarHBondContact CB-OE2 3.23Å; S263-E266 PolarHBondContact N-OE2 3.49Å; S263-E266 PolarHBondContact O-N 2.9Å; S263-E266 WeakPolarHBondContact OG-CB 3.39Å; S263-E266 VanDerWaalsContact OG-CD 3.28Å; S263-E266 VanDerWaalsContact OG-CG 3.25Å; S263-E266 WeakPolarHBondContact OG-CG 3.35Å; S263-E266 PolarHBondContact OG-N 3.17Å; S263-E266 PolarHBondContact OG-OE2 2.94Å; S263-L267 PolarHBondContact O-N 2.99Å; S263-F284 VanDerWaalsContact C-CZ 3.5Å; S263-F284 WeakPolarHBondContact O-CZ 3.43Å
264	V	98.1	Very high	97.2	Very high	25 Å²	25	46.9 Å²	46.9	15%	0.152	30%	0.3	C	S	.	.	H	α-helix	trans	-60.5	-44.8	174.5	169.2	0	0	0	0	110.3	E266 L267 M268 V280 M281 F284	V264-E266 VanDerWaalsContact C-N 3.3Å; V264-E266 PolarHBondContact O-N 3.19Å; V264-L267 PolarHBondContact O-N 3.31Å; V264-M268 HydrophobicContact CG1-SD 4.39Å; V264-M268 VanDerWaalsContact O-CG 3.27Å; V264-M268 WeakPolarHBondContact O-CG 3.44Å; V264-M268 PolarHBondContact O-N 3.44Å; V264-M268 VanDerWaalsContact O-N 3.08Å; V264-V280 HydrophobicContact CB-CG1 4.38Å; V264-V280 HydrophobicContact CG1-CB 4.41Å; V264-V280 HydrophobicContact CG1-CG1 3.89Å; V264-M281 HydrophobicContact CG1-CG 4.2Å; V264-F284 HydrophobicContact CG2-CB 4.48Å; V264-F284 HydrophobicContact CG2-CD1 4.01Å; V264-F284 HydrophobicContact CG2-CD2 3.97Å; V264-F284 HydrophobicContact CG2-CE1 4.17Å; V264-F284 HydrophobicContact CG2-CE2 4.12Å; V264-F284 HydrophobicContact CG2-CG 3.9Å; V264-F284 HydrophobicContact CG2-CZ 4.23Å
265	E	98.1	Very high	97.2	Very high	111 Å²	111	46.4 Å²	46.4	52%	0.519	30%	0.297	S	S	.	.	H	α-helix	trans	-62.3	-36.7	179.3	-71.3	70	-157.5	0	0	112.2	S263 N269	S263-E265 VanDerWaalsContact C-N 3.31Å; S263-E265 PolarHBondContact O-N 2.98Å; E265-N269 PolarHBondContact O-ND2 2.97Å; E265-N269 VanDerWaalsContact O-ND2 3.1Å
266	E	98.5	Very high	97.2	Very high	9 Å²	9	46.2 Å²	46.2	4%	0.042	30%	0.296	C	S	.	.	H	α-helix	trans	-73.3	-47.1	177.2	-74.1	166.2	144.1	0	0	112	L254 S256 D257 L262 S263 V264 M268 N269	L254-E266 WeakPolarHBondContact CD2-O 3.36Å; L254-E266 VanDerWaalsContact O-CB 3.31Å; L254-E266 WeakPolarHBondContact O-CB 3.47Å; L254-E266 WeakPolarHBondContact O-CG 3.37Å; S256-E266 WeakPolarHBondContact CB-OE1 3.34Å; S256-E266 PolarHBondContact N-OE1 3.01Å; S256-E266 PolarHBondContact OG-OE1 3.47Å; D257-E266 PolarHBondContact N-OE1 2.86Å; L262-E266 HydrophobicContact CD2-CB 4.29Å; S263-E266 WeakPolarHBondContact CB-OE2 3.23Å; S263-E266 PolarHBondContact N-OE2 3.49Å; S263-E266 PolarHBondContact O-N 2.9Å; S263-E266 WeakPolarHBondContact OG-CB 3.39Å; S263-E266 VanDerWaalsContact OG-CD 3.28Å; S263-E266 VanDerWaalsContact OG-CG 3.25Å; S263-E266 WeakPolarHBondContact OG-CG 3.35Å; S263-E266 PolarHBondContact OG-N 3.17Å; S263-E266 PolarHBondContact OG-OE2 2.94Å; V264-E266 VanDerWaalsContact C-N 3.3Å; V264-E266 PolarHBondContact O-N 3.19Å; E266-M268 PolarHBondContact O-N 3.49Å; E266-N269 WeakPolarHBondContact O-CB 3.1Å; E266-N269 PolarHBondContact O-N 3.13Å
267	L	98.5	Very high	97.3	Very high	0 Å²	0	46 Å²	46	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-64.4	-26.7	179.4	-168.3	64.8	0	0	0	112.3	L254 L262 S263 V264 N269 Y270 V280 V283 F284 M294 F299 F302	L254-L267 HydrophobicContact CD1-CD1 4.38Å; L262-L267 HydrophobicContact CD1-CD1 4.01Å; S263-L267 PolarHBondContact O-N 2.99Å; V264-L267 PolarHBondContact O-N 3.31Å; L267-N269 PolarHBondContact O-N 2.67Å; L267-N269 VanDerWaalsContact O-N 3.12Å; L267-Y270 VanDerWaalsContact O-CB 3.23Å; L267-Y270 WeakPolarHBondContact O-CB 3.49Å; L267-Y270 PolarHBondContact O-N 2.94Å; L267-V280 HydrophobicContact CB-CG1 4.03Å; L267-V280 HydrophobicContact CD2-CG1 4.16Å; L267-V280 HydrophobicContact CG-CG1 4.35Å; L267-V283 HydrophobicContact CD2-CG1 4.3Å; L267-F284 HydrophobicContact CB-CE2 3.91Å; L267-F284 HydrophobicContact CB-CZ 4.25Å; L267-F284 HydrophobicContact CD2-CD2 4.3Å; L267-F284 HydrophobicContact CD2-CE2 3.51Å; L267-F284 HydrophobicContact CD2-CZ 4.31Å; L267-F284 HydrophobicContact CG-CE2 4.33Å; L267-M294 HydrophobicContact CD2-CE 3.98Å; L267-M294 HydrophobicContact CD2-SD 4.15Å; L267-F299 HydrophobicContact CD1-CD2 4.05Å; L267-F299 HydrophobicContact CD1-CE2 4.23Å; L267-F302 HydrophobicContact CD1-CD1 3.97Å; L267-F302 HydrophobicContact CD1-CE1 3.8Å; L267-F302 HydrophobicContact CD1-CZ 4.47Å; L267-F302 HydrophobicContact CD2-CD1 4.4Å; L267-F302 HydrophobicContact CD2-CE1 4.35Å; L267-F302 HydrophobicContact CD2-CE2 4.46Å; L267-F302 HydrophobicContact CD2-CG 4.48Å; L267-F302 HydrophobicContact CD2-CZ 4.38Å; L267-F302 HydrophobicContact CG-CE1 4.29Å; L267-F302 HydrophobicContact CG-CZ 4.49Å
268	M	98	Very high	97.3	Very high	52 Å²	52	42 Å²	42	26%	0.256	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-25	172.1	-78.5	177	65.3	0	0	113.1	V264 E266 Y270 G273 K277 V280	V264-M268 HydrophobicContact CG1-SD 4.39Å; V264-M268 VanDerWaalsContact O-CG 3.27Å; V264-M268 WeakPolarHBondContact O-CG 3.44Å; V264-M268 PolarHBondContact O-N 3.44Å; V264-M268 VanDerWaalsContact O-N 3.08Å; E266-M268 PolarHBondContact O-N 3.49Å; M268-Y270 VanDerWaalsContact C-N 3.27Å; M268-Y270 PolarHBondContact O-N 3.39Å; M268-G273 CarbonylContact O-C 3.51Å; M268-G273 WeakPolarHBondContact O-CA 3.14Å; M268-K277 HydrophobicContact CE-CB 4.07Å; M268-K277 HydrophobicContact SD-CB 3.95Å; M268-K277 HydrophobicContact SD-CG 4.24Å; M268-V280 HydrophobicContact CG-CB 4.07Å; M268-V280 HydrophobicContact CG-CG1 4.3Å; M268-V280 HydrophobicContact CG-CG2 3.74Å
269	N	97.8	Very high	97.5	Very high	95 Å²	95	37.6 Å²	37.6	51%	0.508	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	1.7	177	-60.5	-58.4	0	0	0	113.8	L254 E265 E266 L267	L254-N269 VanDerWaalsContact CD2-C 3.42Å; L254-N269 HydrophobicContact CD2-CB 3.72Å; E265-N269 PolarHBondContact O-ND2 2.97Å; E265-N269 VanDerWaalsContact O-ND2 3.1Å; E266-N269 WeakPolarHBondContact O-CB 3.1Å; E266-N269 PolarHBondContact O-N 3.13Å; L267-N269 PolarHBondContact O-N 2.67Å; L267-N269 VanDerWaalsContact O-N 3.12Å
270	Y	98.1	Very high	97.6	Very high	18 Å²	18	34.4 Å²	34.4	7%	0.071	21%	0.214	C	C	.	.	S	Bend	trans	-57.8	142.1	176.1	178	-91.4	0	0	0	112.1	L254 L267 M268 S272 G273 L275 F299 F302 M306 E307	L254-Y270 HydrophobicContact CD1-CD2 4.25Å; L267-Y270 VanDerWaalsContact O-CB 3.23Å; L267-Y270 WeakPolarHBondContact O-CB 3.49Å; L267-Y270 PolarHBondContact O-N 2.94Å; M268-Y270 VanDerWaalsContact C-N 3.27Å; M268-Y270 PolarHBondContact O-N 3.39Å; Y270-S272 PolarHBondContact O-N 3.29Å; Y270-G273 PolarHBondContact O-N 3.12Å; Y270-L275 HydrophobicContact CD1-CD1 4.27Å; Y270-L275 HydrophobicContact CG-CD1 4.41Å; Y270-F299 AromaticContact CD2-CE2 3.88Å; Y270-F299 HydrophobicContact CD2-CE2 3.88Å; Y270-F299 HydrophobicContact CD2-CZ 4.26Å; Y270-F299 HydrophobicContact CE2-CE2 4.1Å; Y270-F299 HydrophobicContact CE2-CZ 4.15Å; Y270-F302 AromaticContact CD1-CE1 3.92Å; Y270-F302 HydrophobicContact CD1-CE1 3.92Å; Y270-F302 HydrophobicContact CD1-CZ 4.22Å; Y270-F302 HydrophobicContact CD2-CD1 4.46Å; Y270-F302 AromaticContact CD2-CE1 3.75Å; Y270-F302 HydrophobicContact CD2-CE1 3.75Å; Y270-F302 HydrophobicContact CE1-CE1 4.2Å; Y270-F302 HydrophobicContact CE2-CD1 4.48Å; Y270-F302 AromaticContact CE2-CE1 3.99Å; Y270-F302 HydrophobicContact CE2-CE1 3.99Å; Y270-F302 AromaticContact CG-CE1 3.7Å; Y270-F302 HydrophobicContact CG-CE1 3.7Å; Y270-F302 HydrophobicContact CG-CZ 4.31Å; Y270-M306 HydrophobicContact CE1-CB 4.14Å; Y270-M306 HydrophobicContact CE1-CG 4.29Å; Y270-E307 PolarHBondContact OH-OE1 3.11Å
271	G	95	Very high	97.7	Very high	70 Å²	70	35.9 Å²	35.9	72%	0.722	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.1	-119.3	-179.4	0	0	0	0	0	111.5	G273	G271-G273 PolarHBondContact O-N 3.08Å
272	S	93.6	Very high	97.7	Very high	60 Å²	60	34.2 Å²	34.2	42%	0.42	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	0.8	175.5	53.9	0	0	0	0	114.8	Y270 T274 E397	Y270-S272 PolarHBondContact O-N 3.29Å; S272-T274 VanDerWaalsContact C-N 3.27Å; S272-T274 PolarHBondContact O-N 3.38Å; S272-T274 PolarHBondContact OG-OG1 3.01Å; S272-E397 WeakPolarHBondContact CB-OE2 3.36Å; S272-E397 PolarHBondContact OG-OE2 3.44Å
273	G	96.3	Very high	97.7	Very high	33 Å²	33	34.2 Å²	34.2	34%	0.34	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	28.7	-175.3	0	0	0	0	0	113.8	M268 Y270 G271	M268-G273 CarbonylContact O-C 3.51Å; M268-G273 WeakPolarHBondContact O-CA 3.14Å; Y270-G273 PolarHBondContact O-N 3.12Å; G271-G273 PolarHBondContact O-N 3.08Å
274	T	97	Very high	97.7	Very high	27 Å²	27	33.9 Å²	33.9	17%	0.166	20%	0.198	C	C	.	.			trans	-110.4	11	-178.2	63.9	0	0	0	0	113.7	S272 T276 H395 L396 E397	S272-T274 VanDerWaalsContact C-N 3.27Å; S272-T274 PolarHBondContact O-N 3.38Å; S272-T274 PolarHBondContact OG-OG1 3.01Å; T274-T276 PolarHBondContact O-N 3.1Å; T274-H395 CarbonylContact O-C 3.42Å; T274-H395 WeakPolarHBondContact O-CA 3.47Å; T274-H395 VanDerWaalsContact O-CB 3.25Å; T274-H395 WeakPolarHBondContact O-CB 3.49Å; T274-L396 HydrophobicContact CG2-CB 4.44Å; T274-L396 PolarHBondContact O-N 2.94Å; T274-E397 HydrophobicContact CG2-CB 4.42Å; T274-E397 WeakPolarHBondContact OG1-CB 3.42Å; T274-E397 PolarHBondContact OG1-N 3.32Å
275	L	98.4	Very high	97.6	Very high	8 Å²	8	38 Å²	38	4%	0.042	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-63	134.5	176	-65.2	-171.5	0	0	0	110.5	Y270 F279 V280 F302 M306 H395	Y270-L275 HydrophobicContact CD1-CD1 4.27Å; Y270-L275 HydrophobicContact CG-CD1 4.41Å; L275-F279 HydrophobicContact CD1-CD1 4.48Å; L275-F279 HydrophobicContact CD1-CE1 4.4Å; L275-F279 HydrophobicContact CD2-CD1 4.23Å; L275-F279 HydrophobicContact CD2-CE1 4.21Å; L275-V280 HydrophobicContact CB-CG2 3.75Å; L275-V280 HydrophobicContact CD1-CG2 3.9Å; L275-F302 HydrophobicContact CD1-CZ 3.83Å; L275-M306 HydrophobicContact CD2-CE 4.28Å; L275-H395 HydrophobicContact CD2-CB 3.66Å
276	T	98.2	Very high	97.5	Very high	1 Å²	1	36 Å²	36	1%	0.006	21%	0.206	C	C	.	.			trans	-76.5	146.1	179	61.7	0	0	0	0	111.4	T274 E278 F279 V280 G341 I342 S394	T274-T276 PolarHBondContact O-N 3.1Å; T276-E278 VanDerWaalsContact C-N 3.26Å; T276-E278 PolarHBondContact O-N 3.4Å; T276-F279 PolarHBondContact O-N 3.21Å; T276-F279 WeakPolarHBondContact OG1-CB 3.39Å; T276-F279 PolarHBondContact OG1-N 3.38Å; T276-V280 WeakPolarHBondContact O-CG2 3.28Å; T276-V280 PolarHBondContact O-N 2.9Å; T276-G341 VanDerWaalsContact CG2-C 3.48Å; T276-I342 HydrophobicContact CG2-CD1 3.57Å; T276-I342 HydrophobicContact CG2-CG1 4.18Å; T276-S394 PolarHBondContact N-O 3.16Å; T276-S394 PolarHBondContact OG1-O 3.47Å
277	K	98.1	Very high	97.3	Very high	93 Å²	93	36.6 Å²	36.6	40%	0.404	21%	0.211	S	C	.	.	H	α-helix	trans	-57.3	-39.5	176.7	-173.9	169.6	-174	157.5	0	112.2	M268 F279 V280 M281	M268-K277 HydrophobicContact CE-CB 4.07Å; M268-K277 HydrophobicContact SD-CB 3.95Å; M268-K277 HydrophobicContact SD-CG 4.24Å; K277-F279 VanDerWaalsContact C-N 3.34Å; K277-F279 PolarHBondContact O-N 2.68Å; K277-V280 PolarHBondContact O-N 3.03Å; K277-M281 HydrophobicContact CD-SD 4.37Å; K277-M281 HydrophobicContact CG-CG 4.05Å; K277-M281 HydrophobicContact CG-SD 3.89Å; K277-M281 VanDerWaalsContact O-CB 3.25Å; K277-M281 WeakPolarHBondContact O-CB 3.45Å; K277-M281 VanDerWaalsContact O-CG 3.25Å; K277-M281 WeakPolarHBondContact O-CG 3.02Å; K277-M281 PolarHBondContact O-N 2.91Å
278	E	98.1	Very high	97	Very high	9 Å²	9	44 Å²	44	4%	0.042	25%	0.249	C	C	.	.	H	α-helix	trans	-59.6	-43.2	177.6	-77.1	92.4	144.9	0	0	113.2	T276 R282 Y337 F338 G341 R344	T276-E278 VanDerWaalsContact C-N 3.26Å; T276-E278 PolarHBondContact O-N 3.4Å; E278-R282 WeakPolarHBondContact O-CG 3.11Å; E278-R282 PolarHBondContact O-N 3.37Å; E278-Y337 HydrophobicContact CB-CD1 4.33Å; E278-Y337 HydrophobicContact CB-CE1 3.71Å; E278-Y337 HydrophobicContact CG-CD1 4.45Å; E278-Y337 HydrophobicContact CG-CE1 3.92Å; E278-Y337 HydrophobicContact CG-CE2 4.23Å; E278-F338 HydrophobicContact CB-CD1 4.31Å; E278-G341 WeakPolarHBondContact OE1-CA 3.18Å; E278-G341 PolarHBondContact OE1-N 2.99Å; E278-G341 WeakPolarHBondContact OE2-CA 3.16Å; E278-R344 IonicContact OE1-CZ 2.93Å; E278-R344 IonicContact OE1-NE 3.99Å; E278-R344 IonicContact OE1-NH1 3.36Å; E278-R344 PolarHBondContact OE1-NH1 3.03Å; E278-R344 IonicContact OE1-NH2 2.54Å; E278-R344 PolarHBondContact OE1-NH2 2.83Å; E278-R344 IonicContact OE2-CZ 3.7Å; E278-R344 IonicContact OE2-NH1 3.19Å; E278-R344 PolarHBondContact OE2-NH1 3.23Å; E278-R344 IonicContact OE2-NH2 3.8Å
279	F	98.6	Very high	96.9	Very high	1 Å²	1	44.1 Å²	44.1	0%	0.004	25%	0.253	C	S	.	.	H	α-helix	trans	-66.6	-52.7	176.8	174.4	-110.2	0	0	0	110.8	L275 T276 K277 M281 R282 V283 F302 M306 L318 V321 F322 F338	L275-F279 HydrophobicContact CD1-CD1 4.48Å; L275-F279 HydrophobicContact CD1-CE1 4.4Å; L275-F279 HydrophobicContact CD2-CD1 4.23Å; L275-F279 HydrophobicContact CD2-CE1 4.21Å; T276-F279 PolarHBondContact O-N 3.21Å; T276-F279 WeakPolarHBondContact OG1-CB 3.39Å; T276-F279 PolarHBondContact OG1-N 3.38Å; K277-F279 VanDerWaalsContact C-N 3.34Å; K277-F279 PolarHBondContact O-N 2.68Å; F279-M281 PolarHBondContact O-N 3.31Å; F279-R282 WeakPolarHBondContact O-CA 3.24Å; F279-R282 WeakPolarHBondContact O-CB 3.24Å; F279-R282 PolarHBondContact O-N 3.38Å; F279-V283 HydrophobicContact CD1-CG2 4.39Å; F279-V283 HydrophobicContact CE1-CG2 3.99Å; F279-V283 HydrophobicContact CE2-CG2 4.14Å; F279-V283 HydrophobicContact CZ-CG2 3.84Å; F279-V283 PolarHBondContact O-N 2.97Å; F279-F302 AromaticContact CE1-CE2 3.98Å; F279-F302 HydrophobicContact CE1-CE2 3.98Å; F279-F302 HydrophobicContact CE1-CZ 4.44Å; F279-F302 HydrophobicContact CZ-CE2 4.25Å; F279-M306 HydrophobicContact CE1-CE 4.37Å; F279-M306 HydrophobicContact CE1-SD 4.07Å; F279-M306 HydrophobicContact CZ-CE 4.48Å; F279-M306 HydrophobicContact CZ-SD 3.77Å; F279-L318 HydrophobicContact CE2-CD2 4.3Å; F279-L318 HydrophobicContact CZ-CD2 4.11Å; F279-V321 HydrophobicContact CD2-CG1 3.93Å; F279-V321 HydrophobicContact CE2-CG1 3.8Å; F279-F322 AromaticContact CD2-CE2 3.88Å; F279-F322 HydrophobicContact CD2-CE2 3.88Å; F279-F322 AromaticContact CD2-CZ 3.88Å; F279-F322 HydrophobicContact CD2-CZ 3.88Å; F279-F322 AromaticContact CE2-CE2 3.67Å; F279-F322 HydrophobicContact CE2-CE2 3.67Å; F279-F322 HydrophobicContact CE2-CZ 4.1Å; F279-F338 HydrophobicContact CB-CD1 4.36Å
280	V	98.5	Very high	96.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-62.6	-43.8	-177.2	179.9	0	0	0	0	111.5	V264 L267 M268 L275 T276 K277 R282 V283 F284	V264-V280 HydrophobicContact CB-CG1 4.38Å; V264-V280 HydrophobicContact CG1-CB 4.41Å; V264-V280 HydrophobicContact CG1-CG1 3.89Å; L267-V280 HydrophobicContact CB-CG1 4.03Å; L267-V280 HydrophobicContact CD2-CG1 4.16Å; L267-V280 HydrophobicContact CG-CG1 4.35Å; M268-V280 HydrophobicContact CG-CB 4.07Å; M268-V280 HydrophobicContact CG-CG1 4.3Å; M268-V280 HydrophobicContact CG-CG2 3.74Å; L275-V280 HydrophobicContact CB-CG2 3.75Å; L275-V280 HydrophobicContact CD1-CG2 3.9Å; T276-V280 WeakPolarHBondContact O-CG2 3.28Å; T276-V280 PolarHBondContact O-N 2.9Å; K277-V280 PolarHBondContact O-N 3.03Å; V280-R282 PolarHBondContact O-N 3.38Å; V280-V283 WeakPolarHBondContact O-CA 3.38Å; V280-V283 WeakPolarHBondContact O-CB 3.48Å; V280-V283 PolarHBondContact O-N 3.37Å; V280-F284 HydrophobicContact CG1-CD2 3.86Å; V280-F284 HydrophobicContact CG1-CE2 3.67Å; V280-F284 VanDerWaalsContact O-CD2 3.31Å; V280-F284 WeakPolarHBondContact O-CD2 3.25Å; V280-F284 PolarHBondContact O-N 3.03Å
281	M	98	Very high	96.4	Very high	67 Å²	67	50 Å²	50	33%	0.33	29%	0.288	S	S	.	.	H	α-helix	trans	-57	-35.8	174.7	-78.3	-175.8	59.1	0	0	112.5	V264 K277 F279 Q285	V264-M281 HydrophobicContact CG1-CG 4.2Å; K277-M281 HydrophobicContact CD-SD 4.37Å; K277-M281 HydrophobicContact CG-CG 4.05Å; K277-M281 HydrophobicContact CG-SD 3.89Å; K277-M281 VanDerWaalsContact O-CB 3.25Å; K277-M281 WeakPolarHBondContact O-CB 3.45Å; K277-M281 VanDerWaalsContact O-CG 3.25Å; K277-M281 WeakPolarHBondContact O-CG 3.02Å; K277-M281 PolarHBondContact O-N 2.91Å; F279-M281 PolarHBondContact O-N 3.31Å; M281-Q285 VanDerWaalsContact O-CG 3.25Å; M281-Q285 WeakPolarHBondContact O-CG 3.24Å; M281-Q285 PolarHBondContact O-N 2.67Å
282	R	98	Very high	96.5	Very high	16 Å²	16	48.9 Å²	48.9	6%	0.06	28%	0.277	C	S	.	.	H	α-helix	trans	-74	-34.1	176.1	-75.1	-62	-56.2	148.7	0.4	112.7	E278 F279 V280 F284 Q285 E286 K320 V321 I324 Y337 F338	E278-R282 WeakPolarHBondContact O-CG 3.11Å; E278-R282 PolarHBondContact O-N 3.37Å; F279-R282 WeakPolarHBondContact O-CA 3.24Å; F279-R282 WeakPolarHBondContact O-CB 3.24Å; F279-R282 PolarHBondContact O-N 3.38Å; V280-R282 PolarHBondContact O-N 3.38Å; R282-F284 VanDerWaalsContact C-N 3.35Å; R282-Q285 VanDerWaalsContact CD-OE1 3.25Å; R282-Q285 PolarHBondContact O-N 3.28Å; R282-E286 IonicContact CZ-OE1 3.8Å; R282-E286 IonicContact NH1-OE1 2.77Å; R282-E286 PolarHBondContact NH1-OE1 3.04Å; R282-E286 VanDerWaalsContact NH2-CD 3.32Å; R282-E286 IonicContact NH2-OE1 3.75Å; R282-E286 PolarHBondContact NH2-OE1 3.44Å; R282-E286 WeakPolarHBondContact O-CG 3.38Å; R282-E286 PolarHBondContact O-N 3.07Å; R282-K320 PolarHBondContact NH2-O 3.31Å; R282-V321 HydrophobicContact CB-CG1 3.61Å; R282-V321 PolarHBondContact NE-O 2.8Å; R282-V321 VanDerWaalsContact NE-O 3.11Å; R282-V321 PolarHBondContact NH2-O 3.16Å; R282-I324 HydrophobicContact CG-CG2 4.08Å; R282-Y337 HydrophobicContact CG-CE1 3.99Å; R282-F338 HydrophobicContact CB-CE1 4.15Å; R282-F338 HydrophobicContact CB-CZ 4.33Å; R282-F338 HydrophobicContact CG-CE1 3.9Å; R282-F338 HydrophobicContact CG-CZ 3.91Å
283	V	98.4	Very high	96.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-56.8	-51.2	170.4	173.4	0	0	0	0	109.6	L267 F279 V280 Q285 E286 S287 M294 F302 V321	L267-V283 HydrophobicContact CD2-CG1 4.3Å; F279-V283 HydrophobicContact CD1-CG2 4.39Å; F279-V283 HydrophobicContact CE1-CG2 3.99Å; F279-V283 HydrophobicContact CE2-CG2 4.14Å; F279-V283 HydrophobicContact CZ-CG2 3.84Å; F279-V283 PolarHBondContact O-N 2.97Å; V280-V283 WeakPolarHBondContact O-CA 3.38Å; V280-V283 WeakPolarHBondContact O-CB 3.48Å; V280-V283 PolarHBondContact O-N 3.37Å; V283-Q285 VanDerWaalsContact C-N 3.26Å; V283-Q285 PolarHBondContact O-N 3.29Å; V283-E286 PolarHBondContact O-N 3.32Å; V283-E286 VanDerWaalsContact O-N 3.11Å; V283-S287 VanDerWaalsContact O-CB 3.3Å; V283-S287 WeakPolarHBondContact O-CB 3.09Å; V283-S287 PolarHBondContact O-N 3.41Å; V283-S287 PolarHBondContact O-OG 3.44Å; V283-S287 VanDerWaalsContact O-OG 3.11Å; V283-M294 HydrophobicContact CG1-CE 3.68Å; V283-F302 HydrophobicContact CG1-CD2 3.84Å; V283-F302 HydrophobicContact CG1-CE2 4.35Å; V283-F302 HydrophobicContact CG2-CD2 4.22Å; V283-F302 HydrophobicContact CG2-CE2 4.06Å; V283-V321 HydrophobicContact CG2-CG1 3.88Å; V283-V321 HydrophobicContact CG2-CG2 4.19Å
284	F	98.2	Very high	96.8	Very high	17 Å²	17	46.9 Å²	46.9	8%	0.075	25%	0.252	C	S	.	.	H	α-helix	trans	-64.3	-27.7	-179.7	-82.7	-111.1	0	0	0	114.1	L262 S263 V264 L267 V280 R282 T289 G292 M294	L262-F284 VanDerWaalsContact O-CE1 3.24Å; L262-F284 WeakPolarHBondContact O-CE1 3.1Å; L262-F284 VanDerWaalsContact O-CZ 3.25Å; L262-F284 WeakPolarHBondContact O-CZ 3.4Å; S263-F284 VanDerWaalsContact C-CZ 3.5Å; S263-F284 WeakPolarHBondContact O-CZ 3.43Å; V264-F284 HydrophobicContact CG2-CB 4.48Å; V264-F284 HydrophobicContact CG2-CD1 4.01Å; V264-F284 HydrophobicContact CG2-CD2 3.97Å; V264-F284 HydrophobicContact CG2-CE1 4.17Å; V264-F284 HydrophobicContact CG2-CE2 4.12Å; V264-F284 HydrophobicContact CG2-CG 3.9Å; V264-F284 HydrophobicContact CG2-CZ 4.23Å; L267-F284 HydrophobicContact CB-CE2 3.91Å; L267-F284 HydrophobicContact CB-CZ 4.25Å; L267-F284 HydrophobicContact CD2-CD2 4.3Å; L267-F284 HydrophobicContact CD2-CE2 3.51Å; L267-F284 HydrophobicContact CD2-CZ 4.31Å; L267-F284 HydrophobicContact CG-CE2 4.33Å; V280-F284 HydrophobicContact CG1-CD2 3.86Å; V280-F284 HydrophobicContact CG1-CE2 3.67Å; V280-F284 VanDerWaalsContact O-CD2 3.31Å; V280-F284 WeakPolarHBondContact O-CD2 3.25Å; V280-F284 PolarHBondContact O-N 3.03Å; R282-F284 VanDerWaalsContact C-N 3.35Å; F284-T289 HydrophobicContact CB-CG2 4.45Å; F284-T289 HydrophobicContact CD1-CG2 3.83Å; F284-T289 HydrophobicContact CG-CG2 4.42Å; F284-G292 WeakPolarHBondContact CD1-O 3.46Å; F284-G292 WeakPolarHBondContact CE1-O 3.42Å; F284-M294 HydrophobicContact CD2-CE 4.43Å; F284-M294 HydrophobicContact CE1-CB 3.96Å; F284-M294 HydrophobicContact CE2-CE 4.3Å; F284-M294 HydrophobicContact CZ-CB 3.95Å
285	Q	96.4	Very high	96.8	Very high	111 Å²	111	48 Å²	48	52%	0.519	26%	0.257	S	S	.	.	H	α-helix	trans	-76.1	-25.8	176	-74.1	171.5	12.2	0	0	113.3	M281 R282 V283	M281-Q285 VanDerWaalsContact O-CG 3.25Å; M281-Q285 WeakPolarHBondContact O-CG 3.24Å; M281-Q285 PolarHBondContact O-N 2.67Å; R282-Q285 VanDerWaalsContact CD-OE1 3.25Å; R282-Q285 PolarHBondContact O-N 3.28Å; V283-Q285 VanDerWaalsContact C-N 3.26Å; V283-Q285 PolarHBondContact O-N 3.29Å
286	E	95.5	Very high	96.8	Very high	70 Å²	70	48.3 Å²	48.3	33%	0.327	26%	0.258	S	S	.	.	H	α-helix	trans	-103.1	-11	-179.3	-61.2	-62.5	138.9	0	0	113	R282 V283 V321 Q326	R282-E286 IonicContact CZ-OE1 3.8Å; R282-E286 IonicContact NH1-OE1 2.77Å; R282-E286 PolarHBondContact NH1-OE1 3.04Å; R282-E286 VanDerWaalsContact NH2-CD 3.32Å; R282-E286 IonicContact NH2-OE1 3.75Å; R282-E286 PolarHBondContact NH2-OE1 3.44Å; R282-E286 WeakPolarHBondContact O-CG 3.38Å; R282-E286 PolarHBondContact O-N 3.07Å; V283-E286 PolarHBondContact O-N 3.32Å; V283-E286 VanDerWaalsContact O-N 3.11Å; E286-V321 HydrophobicContact CB-CG2 4.48Å; E286-Q326 PolarHBondContact OE1-NE2 3.4Å; E286-Q326 VanDerWaalsContact OE1-NE2 3.13Å; E286-Q326 PolarHBondContact OE2-NE2 3.03Å; E286-Q326 VanDerWaalsContact OE2-NE2 3.11Å
287	S	94.4	Very high	96.7	Very high	21 Å²	21	51.8 Å²	51.8	15%	0.147	27%	0.271	C	S	.	.	S	Bend	trans	-93.9	157.6	174.5	-66.7	0	0	0	0	112.2	V283 T289 Y317	V283-S287 VanDerWaalsContact O-CB 3.3Å; V283-S287 WeakPolarHBondContact O-CB 3.09Å; V283-S287 PolarHBondContact O-N 3.41Å; V283-S287 PolarHBondContact O-OG 3.44Å; V283-S287 VanDerWaalsContact O-OG 3.11Å; S287-T289 PolarHBondContact O-N 3.17Å; S287-Y317 PolarHBondContact OG-OH 3.13Å
288	I	92.3	Very high	96.7	Very high	156 Å²	156	47.8 Å²	47.8	80%	0.8	26%	0.256	S	S	*	.			trans	-74.8	123.8	169.6	-58.7	174.2	0	0	0	107.5
289	T	95.2	Very high	96.7	Very high	53 Å²	53	47.3 Å²	47.3	33%	0.325	25%	0.254	S	S	.	.			trans	-126.9	151	-179.4	53.3	0	0	0	0	110.8	F284 S287 E293	F284-T289 HydrophobicContact CB-CG2 4.45Å; F284-T289 HydrophobicContact CD1-CG2 3.83Å; F284-T289 HydrophobicContact CG-CG2 4.42Å; S287-T289 PolarHBondContact O-N 3.17Å; T289-E293 CarbonylContact C-O 3.49Å; T289-E293 WeakPolarHBondContact CA-O 3.45Å; T289-E293 WeakPolarHBondContact CB-O 3.5Å
290	T	94.4	Very high	96.7	Very high	75 Å²	75	47.3 Å²	47.3	46%	0.46	25%	0.254	S	S	.	.	B	Isolated β-bridge	trans	-110.4	120.1	172.3	-57.6	0	0	0	0	107.5	G292 E293	T290-G292 PolarHBondContact O-N 3.34Å; T290-E293 PolarHBondContact N-O 2.93Å; T290-E293 PolarHBondContact O-N 2.88Å
291	D	93	Very high	96.7	Very high	162 Å²	162	48.6 Å²	48.6	87%	0.866	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	27.4	-176.9	-62.6	-35.4	0	0	0	114.9
292	G	95.1	Very high	96.7	Very high	46 Å²	46	45.4 Å²	45.4	47%	0.474	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	4	-178.7	0	0	0	0	0	114.4	F284 T290	F284-G292 WeakPolarHBondContact CD1-O 3.46Å; F284-G292 WeakPolarHBondContact CE1-O 3.42Å; T290-G292 PolarHBondContact O-N 3.34Å
293	E	97.9	Very high	96.7	Very high	51 Å²	51	44.8 Å²	44.8	24%	0.238	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-110.7	154	178.8	-57.3	-175.2	124.9	0	0	111.8	N259 M261 L262 T289 T290	N259-E293 PolarHBondContact ND2-OE1 2.83Å; N259-E293 PolarHBondContact ND2-OE2 3.42Å; M261-E293 HydrophobicContact CB-CB 3.65Å; M261-E293 HydrophobicContact CG-CB 4.35Å; L262-E293 WeakPolarHBondContact O-CA 3.28Å; T289-E293 CarbonylContact C-O 3.49Å; T289-E293 WeakPolarHBondContact CA-O 3.45Å; T289-E293 WeakPolarHBondContact CB-O 3.5Å; T290-E293 PolarHBondContact N-O 2.93Å; T290-E293 PolarHBondContact O-N 2.88Å
294	M	98.3	Very high	96.7	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-98.4	128.7	-177.6	177.1	178.9	-65	0	0	110.9	M261 L262 L267 V283 F284 G298 F299 F302	M261-M294 CarbonylContact C-O 3.5Å; M261-M294 WeakPolarHBondContact CA-O 3.44Å; L262-M294 HydrophobicContact CB-CB 4.43Å; L262-M294 PolarHBondContact N-O 3.11Å; L262-M294 PolarHBondContact O-N 2.77Å; L267-M294 HydrophobicContact CD2-CE 3.98Å; L267-M294 HydrophobicContact CD2-SD 4.15Å; V283-M294 HydrophobicContact CG1-CE 3.68Å; F284-M294 HydrophobicContact CD2-CE 4.43Å; F284-M294 HydrophobicContact CE1-CB 3.96Å; F284-M294 HydrophobicContact CE2-CE 4.3Å; F284-M294 HydrophobicContact CZ-CB 3.95Å; M294-G298 VanDerWaalsContact SD-C 3.54Å; M294-F299 HydrophobicContact SD-CB 4.23Å; M294-F299 PolarHBondContact SD-N 3.18Å; M294-F299 VanDerWaalsContact SD-N 3.44Å; M294-F302 HydrophobicContact SD-CB 4.42Å
295	D	97.7	Very high	96.6	Very high	50 Å²	50	44.1 Å²	44.1	27%	0.267	24%	0.24	S	C	.	.			trans	-80.8	172.5	174.3	75	-3	0	0	0	112.5	M261 R297 G298 F299	M261-D295 HydrophobicContact CE-CB 4.21Å; M261-D295 VanDerWaalsContact SD-CA 3.52Å; M261-D295 HydrophobicContact SD-CB 3.52Å; M261-D295 VanDerWaalsContact SD-CB 3.52Å; D295-R297 PolarHBondContact O-N 3.05Å; D295-R297 PolarHBondContact OD1-N 2.82Å; D295-R297 VanDerWaalsContact OD1-N 3.15Å; D295-G298 PolarHBondContact O-N 2.85Å; D295-G298 PolarHBondContact OD1-N 3.17Å; D295-F299 PolarHBondContact O-N 3.41Å
296	F	98.1	Very high	96.7	Very high	16 Å²	16	39.6 Å²	39.6	7%	0.07	22%	0.219	C	C	.	.	H	α-helix	trans	-57.3	-33.8	177.1	-176.4	-108.9	0	0	0	113.1	Y184 C187 V188 Y248 F251 F299 V300	Y184-F296 AromaticContact CD1-CD1 3.62Å; Y184-F296 HydrophobicContact CD1-CD1 3.62Å; Y184-F296 AromaticContact CD1-CE1 3.76Å; Y184-F296 HydrophobicContact CD1-CE1 3.76Å; Y184-F296 HydrophobicContact CD1-CG 4.02Å; Y184-F296 HydrophobicContact CD1-CZ 4.3Å; Y184-F296 HydrophobicContact CE1-CD1 4.38Å; Y184-F296 HydrophobicContact CE1-CG 4.43Å; Y184-F296 HydrophobicContact CG-CE1 4.35Å; C187-F296 HydrophobicContact CB-CD1 4.41Å; C187-F296 HydrophobicContact CB-CE1 4.29Å; V188-F296 HydrophobicContact CG2-CE1 4.01Å; V188-F296 HydrophobicContact CG2-CZ 3.91Å; Y248-F296 HydrophobicContact CD2-CD2 4.45Å; Y248-F296 HydrophobicContact CD2-CE2 4.07Å; Y248-F296 HydrophobicContact CD2-CZ 4.31Å; F251-F296 HydrophobicContact CB-CD2 3.81Å; F251-F296 HydrophobicContact CB-CE2 3.97Å; F251-F296 HydrophobicContact CD1-CD2 4.01Å; F251-F296 HydrophobicContact CD2-CB 4.46Å; F251-F296 AromaticContact CD2-CD2 3.82Å; F251-F296 HydrophobicContact CD2-CD2 3.82Å; F251-F296 HydrophobicContact CE1-CB 4.47Å; F251-F296 HydrophobicContact CE2-CB 4.18Å; F251-F296 HydrophobicContact CE2-CD2 4.38Å; F251-F296 AromaticContact CG-CD2 3.61Å; F251-F296 HydrophobicContact CG-CD2 3.61Å; F251-F296 HydrophobicContact CG-CE2 4.28Å; F251-F296 HydrophobicContact CZ-CB 4.2Å; F296-F299 HydrophobicContact CD2-CD1 4.34Å; F296-F299 HydrophobicContact CE2-CD1 4.3Å; F296-F299 PolarHBondContact O-N 3.26Å; F296-V300 HydrophobicContact CD1-CG2 4.18Å; F296-V300 HydrophobicContact CE1-CG2 3.76Å; F296-V300 HydrophobicContact CE2-CG2 4.13Å; F296-V300 HydrophobicContact CZ-CG2 3.74Å; F296-V300 WeakPolarHBondContact O-CG2 3.45Å; F296-V300 PolarHBondContact O-N 3.23Å
297	R	97.3	Very high	96.7	Very high	73 Å²	73	42.4 Å²	42.4	28%	0.275	23%	0.232	S	C	.	.	H	α-helix	trans	-66.7	-43.3	179.6	-59.5	-173.3	78	98.3	-10.5	110.9	E157 E161 K191 D295 V300 D301	E157-R297 IonicContact OE2-CZ 3.4Å; E157-R297 IonicContact OE2-NH2 3.88Å; E157-R297 PolarHBondContact OE2-NH2 2.87Å; E161-R297 IonicContact OE1-CZ 3.93Å; E161-R297 IonicContact OE1-NH1 2.6Å; E161-R297 PolarHBondContact OE1-NH1 2.96Å; E161-R297 IonicContact OE1-NH2 3.1Å; E161-R297 PolarHBondContact OE1-NH2 3.24Å; K191-R297 WeakPolarHBondContact CE-O 3.32Å; D295-R297 PolarHBondContact O-N 3.05Å; D295-R297 PolarHBondContact OD1-N 2.82Å; D295-R297 VanDerWaalsContact OD1-N 3.15Å; R297-V300 PolarHBondContact O-N 3.28Å; R297-D301 PolarHBondContact O-N 3.45Å
298	G	97.2	Very high	96.8	Very high	9 Å²	9	43.8 Å²	43.8	9%	0.093	24%	0.238	C	C	.	.	H	α-helix	trans	-64.4	-40.5	174.2	0	0	0	0	0	111.9	M294 D295 V300 D301 F302	M294-G298 VanDerWaalsContact SD-C 3.54Å; D295-G298 PolarHBondContact O-N 2.85Å; D295-G298 PolarHBondContact OD1-N 3.17Å; G298-V300 PolarHBondContact O-N 3.45Å; G298-D301 PolarHBondContact O-N 3.23Å; G298-F302 PolarHBondContact O-N 2.9Å
299	F	98.5	Very high	97	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-60.9	-43.5	175.3	175.5	-101.7	0	0	0	112.2	L247 Q250 F251 L254 L262 L267 Y270 M294 D295 F296 D301 F302 S303	L247-F299 HydrophobicContact CD2-CE1 4.33Å; L247-F299 WeakPolarHBondContact O-CE1 3.4Å; Q250-F299 HydrophobicContact CB-CE1 4.38Å; Q250-F299 HydrophobicContact CB-CZ 3.98Å; F251-F299 HydrophobicContact CB-CD1 3.86Å; F251-F299 HydrophobicContact CB-CE1 3.88Å; F251-F299 HydrophobicContact CB-CG 4.44Å; F251-F299 HydrophobicContact CB-CZ 4.46Å; F251-F299 HydrophobicContact CD2-CB 3.65Å; F251-F299 AromaticContact CD2-CD1 3.82Å; F251-F299 HydrophobicContact CD2-CD1 3.82Å; F251-F299 HydrophobicContact CD2-CD2 4.24Å; F251-F299 AromaticContact CD2-CG 3.63Å; F251-F299 HydrophobicContact CD2-CG 3.63Å; F251-F299 HydrophobicContact CE2-CB 4.02Å; F251-F299 HydrophobicContact CE2-CG 4.45Å; F251-F299 HydrophobicContact CG-CD1 4.32Å; L254-F299 HydrophobicContact CD1-CE2 3.69Å; L254-F299 HydrophobicContact CD1-CZ 4.25Å; L262-F299 HydrophobicContact CD1-CB 4.39Å; L262-F299 HydrophobicContact CD1-CD2 3.63Å; L262-F299 HydrophobicContact CD1-CE2 4.24Å; L262-F299 HydrophobicContact CD1-CG 4.21Å; L267-F299 HydrophobicContact CD1-CD2 4.05Å; L267-F299 HydrophobicContact CD1-CE2 4.23Å; Y270-F299 AromaticContact CD2-CE2 3.88Å; Y270-F299 HydrophobicContact CD2-CE2 3.88Å; Y270-F299 HydrophobicContact CD2-CZ 4.26Å; Y270-F299 HydrophobicContact CE2-CE2 4.1Å; Y270-F299 HydrophobicContact CE2-CZ 4.15Å; M294-F299 HydrophobicContact SD-CB 4.23Å; M294-F299 PolarHBondContact SD-N 3.18Å; M294-F299 VanDerWaalsContact SD-N 3.44Å; D295-F299 PolarHBondContact O-N 3.41Å; F296-F299 HydrophobicContact CD2-CD1 4.34Å; F296-F299 HydrophobicContact CE2-CD1 4.3Å; F296-F299 PolarHBondContact O-N 3.26Å; F299-D301 PolarHBondContact O-N 3.41Å; F299-F302 HydrophobicContact CD2-CD1 4.4Å; F299-F302 WeakPolarHBondContact O-CB 3.46Å; F299-F302 PolarHBondContact O-N 3.41Å; F299-S303 WeakPolarHBondContact CE1-OG 3.43Å; F299-S303 WeakPolarHBondContact CE2-OG 3.21Å; F299-S303 VanDerWaalsContact CZ-OG 3.22Å; F299-S303 WeakPolarHBondContact CZ-OG 3.38Å; F299-S303 PolarHBondContact O-N 2.95Å; F299-S303 PolarHBondContact O-OG 3.33Å; F299-S303 VanDerWaalsContact O-OG 3.09Å
300	V	98.3	Very high	97	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61	-43.9	177.1	174.1	0	0	0	0	111.4	V188 K191 F296 R297 G298 F302 S303 L304	V188-V300 HydrophobicContact CG2-CG2 3.89Å; K191-V300 HydrophobicContact CB-CB 4.47Å; K191-V300 HydrophobicContact CB-CG1 3.53Å; K191-V300 HydrophobicContact CG-CB 4.3Å; K191-V300 HydrophobicContact CG-CG1 3.88Å; F296-V300 HydrophobicContact CD1-CG2 4.18Å; F296-V300 HydrophobicContact CE1-CG2 3.76Å; F296-V300 HydrophobicContact CE2-CG2 4.13Å; F296-V300 HydrophobicContact CZ-CG2 3.74Å; F296-V300 WeakPolarHBondContact O-CG2 3.45Å; F296-V300 PolarHBondContact O-N 3.23Å; R297-V300 PolarHBondContact O-N 3.28Å; G298-V300 PolarHBondContact O-N 3.45Å; V300-F302 VanDerWaalsContact C-N 3.31Å; V300-F302 PolarHBondContact O-N 2.94Å; V300-S303 PolarHBondContact O-N 3.3Å; V300-L304 HydrophobicContact CG1-CD1 4Å; V300-L304 HydrophobicContact CG1-CG 4.29Å; V300-L304 WeakPolarHBondContact O-CB 3.34Å; V300-L304 VanDerWaalsContact O-CG 3.23Å; V300-L304 WeakPolarHBondContact O-CG 3.49Å; V300-L304 PolarHBondContact O-N 2.88Å
301	D	97.8	Very high	97.1	Very high	28 Å²	28	38.4 Å²	38.4	15%	0.15	21%	0.206	C	C	.	.	H	α-helix	trans	-61.1	-41.7	175.4	-77.5	-33.8	0	0	0	111.7	K191 F195 R297 G298 F299 A305 Y317	K191-D301 WeakPolarHBondContact CD-OD1 3.16Å; K191-D301 IonicContact NZ-OD1 2.82Å; K191-D301 IonicContact NZ-OD2 3.59Å; K191-D301 PolarHBondContact NZ-OD2 2.96Å; F195-D301 HydrophobicContact CD2-CB 4.26Å; F195-D301 HydrophobicContact CE2-CB 4.47Å; F195-D301 VanDerWaalsContact CE2-O 3.28Å; F195-D301 WeakPolarHBondContact CE2-O 3.2Å; R297-D301 PolarHBondContact O-N 3.45Å; G298-D301 PolarHBondContact O-N 3.23Å; F299-D301 PolarHBondContact O-N 3.41Å; D301-A305 WeakPolarHBondContact O-CB 3.34Å; D301-A305 PolarHBondContact O-N 3.21Å; D301-A305 VanDerWaalsContact O-N 3.09Å; D301-Y317 HydrophobicContact CB-CE2 4.36Å
302	F	98.4	Very high	97.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.8	-52.2	176.1	168.8	-100.2	0	0	0	111.8	L267 Y270 L275 F279 V283 M294 G298 F299 V300 L304 A305 M306	L267-F302 HydrophobicContact CD1-CD1 3.97Å; L267-F302 HydrophobicContact CD1-CE1 3.8Å; L267-F302 HydrophobicContact CD1-CZ 4.47Å; L267-F302 HydrophobicContact CD2-CD1 4.4Å; L267-F302 HydrophobicContact CD2-CE1 4.35Å; L267-F302 HydrophobicContact CD2-CE2 4.46Å; L267-F302 HydrophobicContact CD2-CG 4.48Å; L267-F302 HydrophobicContact CD2-CZ 4.38Å; L267-F302 HydrophobicContact CG-CE1 4.29Å; L267-F302 HydrophobicContact CG-CZ 4.49Å; Y270-F302 AromaticContact CD1-CE1 3.92Å; Y270-F302 HydrophobicContact CD1-CE1 3.92Å; Y270-F302 HydrophobicContact CD1-CZ 4.22Å; Y270-F302 HydrophobicContact CD2-CD1 4.46Å; Y270-F302 AromaticContact CD2-CE1 3.75Å; Y270-F302 HydrophobicContact CD2-CE1 3.75Å; Y270-F302 HydrophobicContact CE1-CE1 4.2Å; Y270-F302 HydrophobicContact CE2-CD1 4.48Å; Y270-F302 AromaticContact CE2-CE1 3.99Å; Y270-F302 HydrophobicContact CE2-CE1 3.99Å; Y270-F302 AromaticContact CG-CE1 3.7Å; Y270-F302 HydrophobicContact CG-CE1 3.7Å; Y270-F302 HydrophobicContact CG-CZ 4.31Å; L275-F302 HydrophobicContact CD1-CZ 3.83Å; F279-F302 AromaticContact CE1-CE2 3.98Å; F279-F302 HydrophobicContact CE1-CE2 3.98Å; F279-F302 HydrophobicContact CE1-CZ 4.44Å; F279-F302 HydrophobicContact CZ-CE2 4.25Å; V283-F302 HydrophobicContact CG1-CD2 3.84Å; V283-F302 HydrophobicContact CG1-CE2 4.35Å; V283-F302 HydrophobicContact CG2-CD2 4.22Å; V283-F302 HydrophobicContact CG2-CE2 4.06Å; M294-F302 HydrophobicContact SD-CB 4.42Å; G298-F302 PolarHBondContact O-N 2.9Å; F299-F302 HydrophobicContact CD2-CD1 4.4Å; F299-F302 WeakPolarHBondContact O-CB 3.46Å; F299-F302 PolarHBondContact O-N 3.41Å; V300-F302 VanDerWaalsContact C-N 3.31Å; V300-F302 PolarHBondContact O-N 2.94Å; F302-L304 PolarHBondContact O-N 3.17Å; F302-A305 WeakPolarHBondContact O-CB 3.33Å; F302-A305 PolarHBondContact O-N 3.09Å; F302-A305 VanDerWaalsContact O-N 3.08Å; F302-M306 HydrophobicContact CD1-CG 4.42Å; F302-M306 HydrophobicContact CD2-CG 4.14Å; F302-M306 HydrophobicContact CE1-CG 3.95Å; F302-M306 HydrophobicContact CE2-CG 3.63Å; F302-M306 HydrophobicContact CE2-SD 3.92Å; F302-M306 HydrophobicContact CZ-CG 3.53Å; F302-M306 HydrophobicContact CZ-SD 4.12Å; F302-M306 WeakPolarHBondContact O-CG 3.49Å; F302-M306 PolarHBondContact O-N 3.34Å
303	S	98.1	Very high	97.3	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.014	17%	0.167	C	C	.	.	H	α-helix	trans	-62.3	-42	-179.7	-57.4	0	0	0	0	111.4	F299 V300 A305 M306 E307	F299-S303 WeakPolarHBondContact CE1-OG 3.43Å; F299-S303 WeakPolarHBondContact CE2-OG 3.21Å; F299-S303 VanDerWaalsContact CZ-OG 3.22Å; F299-S303 WeakPolarHBondContact CZ-OG 3.38Å; F299-S303 PolarHBondContact O-N 2.95Å; F299-S303 PolarHBondContact O-OG 3.33Å; F299-S303 VanDerWaalsContact O-OG 3.09Å; V300-S303 PolarHBondContact O-N 3.3Å; S303-A305 VanDerWaalsContact C-N 3.27Å; S303-A305 PolarHBondContact O-N 3.33Å; S303-M306 PolarHBondContact O-N 3.45Å; S303-E307 WeakPolarHBondContact O-CB 3.49Å; S303-E307 WeakPolarHBondContact O-CG 3.26Å; S303-E307 PolarHBondContact O-N 3.44Å
304	L	97.8	Very high	97.3	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.021	16%	0.155	C	C	.	.	H	α-helix	trans	-58.6	-39	173.8	-73.3	176.7	0	0	0	112.1	K191 F195 F196 F243 V300 F302 N308	K191-L304 HydrophobicContact CB-CD1 4.26Å; F195-L304 HydrophobicContact CB-CD1 3.82Å; F195-L304 HydrophobicContact CD1-CB 4.03Å; F195-L304 HydrophobicContact CD1-CD1 4.39Å; F195-L304 HydrophobicContact CD2-CB 4.3Å; F195-L304 HydrophobicContact CD2-CD1 4.49Å; F195-L304 HydrophobicContact CE1-CB 4.1Å; F195-L304 HydrophobicContact CE2-CB 4.36Å; F195-L304 HydrophobicContact CG-CB 4.13Å; F195-L304 HydrophobicContact CG-CD1 4Å; F195-L304 HydrophobicContact CZ-CB 4.27Å; F196-L304 HydrophobicContact CE2-CD2 4.12Å; F196-L304 HydrophobicContact CZ-CD2 4.4Å; F243-L304 HydrophobicContact CZ-CD2 4.49Å; V300-L304 HydrophobicContact CG1-CD1 4Å; V300-L304 HydrophobicContact CG1-CG 4.29Å; V300-L304 WeakPolarHBondContact O-CB 3.34Å; V300-L304 VanDerWaalsContact O-CG 3.23Å; V300-L304 WeakPolarHBondContact O-CG 3.49Å; V300-L304 PolarHBondContact O-N 2.88Å; F302-L304 PolarHBondContact O-N 3.17Å; L304-N308 WeakPolarHBondContact O-CB 3.49Å; L304-N308 PolarHBondContact O-N 2.75Å; L304-N308 PolarHBondContact O-ND2 3.1Å
305	A	97.8	Very high	97.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-68.4	-41.3	176.8	0	0	0	0	0	112.9	F195 D301 F302 S303 N309 A314 Y317 L318	F195-A305 HydrophobicContact CE2-CB 4.14Å; F195-A305 HydrophobicContact CZ-CB 3.68Å; D301-A305 WeakPolarHBondContact O-CB 3.34Å; D301-A305 PolarHBondContact O-N 3.21Å; D301-A305 VanDerWaalsContact O-N 3.09Å; F302-A305 WeakPolarHBondContact O-CB 3.33Å; F302-A305 PolarHBondContact O-N 3.09Å; F302-A305 VanDerWaalsContact O-N 3.08Å; S303-A305 VanDerWaalsContact C-N 3.27Å; S303-A305 PolarHBondContact O-N 3.33Å; A305-N309 WeakPolarHBondContact O-CA 3.44Å; A305-N309 PolarHBondContact O-N 3.45Å; A305-A314 HydrophobicContact CB-CB 4.44Å; A305-Y317 HydrophobicContact CB-CD1 3.3Å; A305-Y317 HydrophobicContact CB-CE1 3.78Å; A305-Y317 HydrophobicContact CB-CG 3.82Å; A305-L318 HydrophobicContact CB-CD2 4.37Å; A305-L318 HydrophobicContact CB-CG 4.3Å
306	M	97.8	Very high	97.2	Very high	16 Å²	16	29.7 Å²	29.7	8%	0.079	16%	0.155	C	C	.	.	H	α-helix	trans	-68.4	-47.6	-179.3	-68	-57.4	-65.5	0	0	111.7	Y270 L275 F279 F302 S303 N308 L318	Y270-M306 HydrophobicContact CE1-CB 4.14Å; Y270-M306 HydrophobicContact CE1-CG 4.29Å; L275-M306 HydrophobicContact CD2-CE 4.28Å; F279-M306 HydrophobicContact CE1-CE 4.37Å; F279-M306 HydrophobicContact CE1-SD 4.07Å; F279-M306 HydrophobicContact CZ-CE 4.48Å; F279-M306 HydrophobicContact CZ-SD 3.77Å; F302-M306 HydrophobicContact CD1-CG 4.42Å; F302-M306 HydrophobicContact CD2-CG 4.14Å; F302-M306 HydrophobicContact CE1-CG 3.95Å; F302-M306 HydrophobicContact CE2-CG 3.63Å; F302-M306 HydrophobicContact CE2-SD 3.92Å; F302-M306 HydrophobicContact CZ-CG 3.53Å; F302-M306 HydrophobicContact CZ-SD 4.12Å; F302-M306 WeakPolarHBondContact O-CG 3.49Å; F302-M306 PolarHBondContact O-N 3.34Å; S303-M306 PolarHBondContact O-N 3.45Å; M306-N308 VanDerWaalsContact C-N 3.31Å; M306-N308 PolarHBondContact O-N 3.07Å; M306-L318 HydrophobicContact SD-CD2 4Å
307	E	95.6	Very high	97.1	Very high	128 Å²	128	30.3 Å²	30.3	60%	0.598	16%	0.158	S	C	*	.	H	α-helix	trans	-71.4	-25.2	-177.9	-62.7	-52.9	133.3	0	0	112.9	Y270 S303	Y270-E307 PolarHBondContact OH-OE1 3.11Å; S303-E307 WeakPolarHBondContact O-CB 3.49Å; S303-E307 WeakPolarHBondContact O-CG 3.26Å; S303-E307 PolarHBondContact O-N 3.44Å
308	N	96.2	Very high	97.1	Very high	51 Å²	51	26.9 Å²	26.9	27%	0.273	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116	34.1	-177.6	-56.9	-92.6	0	0	0	112.2	F196 L304 M306 N310 D311 A314	F196-N308 HydrophobicContact CE1-CB 4.09Å; F196-N308 HydrophobicContact CZ-CB 4.1Å; L304-N308 WeakPolarHBondContact O-CB 3.49Å; L304-N308 PolarHBondContact O-N 2.75Å; L304-N308 PolarHBondContact O-ND2 3.1Å; M306-N308 VanDerWaalsContact C-N 3.31Å; M306-N308 PolarHBondContact O-N 3.07Å; N308-N310 PolarHBondContact O-N 2.85Å; N308-D311 HydrophobicContact CB-CB 4.12Å; N308-D311 VanDerWaalsContact O-CB 3.25Å; N308-D311 WeakPolarHBondContact O-CB 3.38Å; N308-D311 PolarHBondContact O-N 3.22Å; N308-A314 HydrophobicContact CB-CB 4.47Å; N308-A314 WeakPolarHBondContact O-CB 3.49Å
309	N	96.5	Very high	97.2	Very high	22 Å²	22	27.2 Å²	27.2	12%	0.118	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-8.5	-168.8	62.3	17.3	0	0	0	117.2	A305 V315 L318 G387 N391	A305-N309 WeakPolarHBondContact O-CA 3.44Å; A305-N309 PolarHBondContact O-N 3.45Å; N309-V315 WeakPolarHBondContact O-CG2 3.44Å; N309-L318 HydrophobicContact CB-CD1 3.88Å; N309-G387 WeakPolarHBondContact ND2-CA 3.33Å; N309-G387 WeakPolarHBondContact OD1-CA 3.28Å; N309-N391 PolarHBondContact ND2-OD1 3.36Å; N309-N391 VanDerWaalsContact ND2-OD1 3.14Å
310	N	96.2	Very high	97.1	Very high	89 Å²	89	32 Å²	32	48%	0.476	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-14.6	169.9	-72.8	-53.5	0	0	0	113.7	N308 G387	N308-N310 PolarHBondContact O-N 2.85Å; N310-G387 PolarHBondContact OD1-N 3.45Å
311	D	95.9	Very high	97.1	Very high	59 Å²	59	32.1 Å²	32.1	32%	0.316	17%	0.165	S	C	.	.	S	Bend	trans	-66.6	136.1	177.4	-176.9	-85.1	0	0	0	110.7	F196 N308 A313 A314 V315	F196-D311 HydrophobicContact CE1-CB 4.21Å; N308-D311 HydrophobicContact CB-CB 4.12Å; N308-D311 VanDerWaalsContact O-CB 3.25Å; N308-D311 WeakPolarHBondContact O-CB 3.38Å; N308-D311 PolarHBondContact O-N 3.22Å; D311-A313 PolarHBondContact O-N 3.09Å; D311-A313 VanDerWaalsContact OD1-CB 3.24Å; D311-A313 WeakPolarHBondContact OD1-CB 3.37Å; D311-A313 PolarHBondContact OD1-N 3.04Å; D311-A314 HydrophobicContact CB-CB 4.29Å; D311-A314 PolarHBondContact O-N 3.07Å; D311-V315 WeakPolarHBondContact O-CG2 3.47Å; D311-V315 PolarHBondContact O-N 2.67Å
312	P	95.7	Very high	97.1	Very high	68 Å²	68	30.8 Å²	30.8	44%	0.442	16%	0.158	S	C	.	.	H	α-helix	trans	-52.8	-29.5	-179.2	-29.9	36.9	0	0	0	115.8	N316 K381	P312-N316 VanDerWaalsContact O-CG 3.29Å; P312-N316 PolarHBondContact O-N 3.07Å; P312-N316 PolarHBondContact O-ND2 2.84Å; P312-K381 HydrophobicContact CB-CD 4.09Å; P312-K381 VanDerWaalsContact O-CE 3.25Å; P312-K381 WeakPolarHBondContact O-CE 3.38Å; P312-K381 PolarHBondContact O-NZ 2.79Å; P312-K381 VanDerWaalsContact O-NZ 3.1Å
313	A	96	Very high	97.1	Very high	9 Å²	9	31.1 Å²	31.1	7%	0.074	16%	0.16	C	C	.	.	H	α-helix	trans	-76.1	-42.1	177.1	0	0	0	0	0	112.1	F195 F196 R201 D311 N316 Y317	F195-A313 HydrophobicContact CD1-CB 4.42Å; F195-A313 HydrophobicContact CE1-CB 4.24Å; F195-A313 WeakPolarHBondContact O-CB 3.37Å; F196-A313 HydrophobicContact CD1-CB 4.15Å; R201-A313 PolarHBondContact NH2-O 3.42Å; D311-A313 PolarHBondContact O-N 3.09Å; D311-A313 VanDerWaalsContact OD1-CB 3.24Å; D311-A313 WeakPolarHBondContact OD1-CB 3.37Å; D311-A313 PolarHBondContact OD1-N 3.04Å; A313-N316 WeakPolarHBondContact O-CB 3.46Å; A313-N316 PolarHBondContact O-N 3.24Å; A313-Y317 PolarHBondContact O-N 2.99Å
314	A	97.1	Very high	97	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.6	-42.5	173.4	0	0	0	0	0	111.6	F195 A305 N308 D311 N316 Y317 L318	F195-A314 HydrophobicContact CE1-CB 4.22Å; F195-A314 HydrophobicContact CZ-CB 4.28Å; A305-A314 HydrophobicContact CB-CB 4.44Å; N308-A314 HydrophobicContact CB-CB 4.47Å; N308-A314 WeakPolarHBondContact O-CB 3.49Å; D311-A314 HydrophobicContact CB-CB 4.29Å; D311-A314 PolarHBondContact O-N 3.07Å; A314-N316 VanDerWaalsContact C-N 3.27Å; A314-N316 PolarHBondContact O-N 3.34Å; A314-Y317 WeakPolarHBondContact O-CB 3.33Å; A314-Y317 PolarHBondContact O-N 3.18Å; A314-L318 WeakPolarHBondContact O-CG 3.42Å; A314-L318 PolarHBondContact O-N 3.01Å
315	V	97.6	Very high	96.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-57.7	-42.5	174	176.7	0	0	0	0	110.9	N309 D311 F319 L380 K381 A386 F390	N309-V315 WeakPolarHBondContact O-CG2 3.44Å; D311-V315 WeakPolarHBondContact O-CG2 3.47Å; D311-V315 PolarHBondContact O-N 2.67Å; V315-F319 WeakPolarHBondContact O-CB 3.17Å; V315-F319 PolarHBondContact O-N 2.9Å; V315-L380 HydrophobicContact CG1-CB 3.85Å; V315-L380 HydrophobicContact CG1-CD1 4.29Å; V315-K381 HydrophobicContact CB-CG 4.16Å; V315-K381 HydrophobicContact CG1-CG 3.87Å; V315-K381 HydrophobicContact CG2-CG 4.4Å; V315-A386 HydrophobicContact CG1-CB 4.35Å; V315-A386 HydrophobicContact CG2-CB 3.53Å; V315-F390 HydrophobicContact CB-CE2 4.34Å; V315-F390 HydrophobicContact CG1-CE2 4.19Å; V315-F390 HydrophobicContact CG1-CZ 4.19Å; V315-F390 HydrophobicContact CG2-CE2 4.23Å
316	N	96.2	Very high	96.8	Very high	50 Å²	50	44.2 Å²	44.2	27%	0.267	22%	0.216	S	C	.	.	H	α-helix	trans	-64.6	-38.3	175.8	-80.5	-24	0	0	0	112.9	P312 A313 A314 K320 K381	P312-N316 VanDerWaalsContact O-CG 3.29Å; P312-N316 PolarHBondContact O-N 3.07Å; P312-N316 PolarHBondContact O-ND2 2.84Å; A313-N316 WeakPolarHBondContact O-CB 3.46Å; A313-N316 PolarHBondContact O-N 3.24Å; A314-N316 VanDerWaalsContact C-N 3.27Å; A314-N316 PolarHBondContact O-N 3.34Å; N316-K320 WeakPolarHBondContact O-CG 3.45Å; N316-K320 PolarHBondContact O-N 3.33Å; N316-K381 PolarHBondContact ND2-NZ 3.47Å; N316-K381 WeakPolarHBondContact OD1-CE 3.32Å; N316-K381 PolarHBondContact OD1-NZ 3.2Å
317	Y	96.9	Very high	96.7	Very high	29 Å²	29	48 Å²	48	11%	0.114	23%	0.229	C	C	.	.	H	α-helix	trans	-64.7	-56.1	177.2	178	-84.7	0	0	0	110.3	F195 S287 D301 A305 A313 A314 F319 K320 V321	F195-Y317 HydrophobicContact CE2-CD2 4.09Å; F195-Y317 HydrophobicContact CE2-CG 4.26Å; S287-Y317 PolarHBondContact OG-OH 3.13Å; D301-Y317 HydrophobicContact CB-CE2 4.36Å; A305-Y317 HydrophobicContact CB-CD1 3.3Å; A305-Y317 HydrophobicContact CB-CE1 3.78Å; A305-Y317 HydrophobicContact CB-CG 3.82Å; A313-Y317 PolarHBondContact O-N 2.99Å; A314-Y317 WeakPolarHBondContact O-CB 3.33Å; A314-Y317 PolarHBondContact O-N 3.18Å; Y317-F319 VanDerWaalsContact C-N 3.34Å; Y317-F319 PolarHBondContact O-N 3.49Å; Y317-K320 WeakPolarHBondContact O-CB 3.24Å; Y317-K320 PolarHBondContact O-N 2.84Å; Y317-V321 HydrophobicContact CE1-CG2 4.34Å; Y317-V321 PolarHBondContact O-N 3.47Å
318	L	98.1	Very high	96.8	Very high	1 Å²	1	44 Å²	44	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-63.3	-40.1	-178.4	-66.4	171.3	0	0	0	111.2	F279 A305 M306 N309 A314 K320 V321 F322 F390	F279-L318 HydrophobicContact CE2-CD2 4.3Å; F279-L318 HydrophobicContact CZ-CD2 4.11Å; A305-L318 HydrophobicContact CB-CD2 4.37Å; A305-L318 HydrophobicContact CB-CG 4.3Å; M306-L318 HydrophobicContact SD-CD2 4Å; N309-L318 HydrophobicContact CB-CD1 3.88Å; A314-L318 WeakPolarHBondContact O-CG 3.42Å; A314-L318 PolarHBondContact O-N 3.01Å; L318-K320 VanDerWaalsContact C-N 3.25Å; L318-K320 PolarHBondContact O-N 3.14Å; L318-V321 WeakPolarHBondContact O-CA 3.32Å; L318-V321 VanDerWaalsContact O-CB 3.26Å; L318-V321 WeakPolarHBondContact O-CB 3.47Å; L318-V321 PolarHBondContact O-N 3.31Å; L318-F322 VanDerWaalsContact O-CD2 3.31Å; L318-F322 WeakPolarHBondContact O-CD2 3.11Å; L318-F322 PolarHBondContact O-N 3.09Å; L318-F390 HydrophobicContact CB-CD1 4.01Å; L318-F390 HydrophobicContact CB-CD2 3.96Å; L318-F390 HydrophobicContact CB-CE1 3.77Å; L318-F390 HydrophobicContact CB-CE2 3.73Å; L318-F390 HydrophobicContact CB-CG 4.09Å; L318-F390 HydrophobicContact CB-CZ 3.61Å; L318-F390 HydrophobicContact CD1-CB 4.2Å; L318-F390 HydrophobicContact CD1-CD2 3.41Å; L318-F390 VanDerWaalsContact CD1-CD2 3.41Å; L318-F390 HydrophobicContact CD1-CE2 3.83Å; L318-F390 HydrophobicContact CD1-CG 3.85Å; L318-F390 HydrophobicContact CG-CD2 4.33Å; L318-F390 HydrophobicContact CG-CE2 4.43Å
319	F	98	Very high	96.9	Very high	16 Å²	16	44.3 Å²	44.3	7%	0.07	22%	0.22	C	C	.	.	H	α-helix	trans	-56.4	-38.1	177.7	-175.2	-91.8	0	0	0	113.1	V315 Y317 V321 F322 D323 G328 L330 A377 L380	V315-F319 WeakPolarHBondContact O-CB 3.17Å; V315-F319 PolarHBondContact O-N 2.9Å; Y317-F319 VanDerWaalsContact C-N 3.34Å; Y317-F319 PolarHBondContact O-N 3.49Å; F319-V321 VanDerWaalsContact C-N 3.34Å; F319-V321 PolarHBondContact O-N 2.61Å; F319-F322 PolarHBondContact O-N 2.98Å; F319-D323 HydrophobicContact CD1-CB 4.38Å; F319-D323 HydrophobicContact CE1-CB 4.05Å; F319-D323 WeakPolarHBondContact O-CB 3.13Å; F319-D323 PolarHBondContact O-N 3.3Å; F319-G328 WeakPolarHBondContact CZ-O 3.32Å; F319-L330 HydrophobicContact CD2-CD1 4.2Å; F319-L330 HydrophobicContact CD2-CG 4.27Å; F319-L330 HydrophobicContact CE2-CD1 4.1Å; F319-L330 HydrophobicContact CE2-CD2 4.2Å; F319-L330 HydrophobicContact CE2-CG 3.72Å; F319-L330 HydrophobicContact CZ-CD2 4.47Å; F319-L330 HydrophobicContact CZ-CG 4.33Å; F319-A377 HydrophobicContact CB-CB 4.21Å; F319-A377 HydrophobicContact CD1-CB 3.96Å; F319-A377 HydrophobicContact CD2-CB 3.91Å; F319-A377 HydrophobicContact CE1-CB 4.3Å; F319-A377 HydrophobicContact CE2-CB 4.22Å; F319-A377 HydrophobicContact CG-CB 3.74Å; F319-A377 HydrophobicContact CZ-CB 4.4Å; F319-L380 HydrophobicContact CD2-CD1 3.67Å; F319-L380 HydrophobicContact CE2-CD1 4.31Å
320	K	96.8	Very high	97	Very high	100 Å²	100	43.2 Å²	43.2	44%	0.435	21%	0.214	S	C	.	.	H	α-helix	trans	-64.1	-38.8	175.3	-70	178.2	178.7	-172.7	0	112.5	R282 N316 Y317 L318 F322 D323	R282-K320 PolarHBondContact NH2-O 3.31Å; N316-K320 WeakPolarHBondContact O-CG 3.45Å; N316-K320 PolarHBondContact O-N 3.33Å; Y317-K320 WeakPolarHBondContact O-CB 3.24Å; Y317-K320 PolarHBondContact O-N 2.84Å; L318-K320 VanDerWaalsContact C-N 3.25Å; L318-K320 PolarHBondContact O-N 3.14Å; K320-F322 VanDerWaalsContact C-N 3.31Å; K320-F322 PolarHBondContact O-N 3.11Å; K320-D323 PolarHBondContact O-N 3.4Å
321	V	98.1	Very high	97.1	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.012	20%	0.198	C	C	.	.	H	α-helix	trans	-58.6	-47.2	174	178.1	0	0	0	0	109.8	F279 R282 V283 E286 Y317 L318 F319	F279-V321 HydrophobicContact CD2-CG1 3.93Å; F279-V321 HydrophobicContact CE2-CG1 3.8Å; R282-V321 HydrophobicContact CB-CG1 3.61Å; R282-V321 PolarHBondContact NE-O 2.8Å; R282-V321 VanDerWaalsContact NE-O 3.11Å; R282-V321 PolarHBondContact NH2-O 3.16Å; V283-V321 HydrophobicContact CG2-CG1 3.88Å; V283-V321 HydrophobicContact CG2-CG2 4.19Å; E286-V321 HydrophobicContact CB-CG2 4.48Å; Y317-V321 HydrophobicContact CE1-CG2 4.34Å; Y317-V321 PolarHBondContact O-N 3.47Å; L318-V321 WeakPolarHBondContact O-CA 3.32Å; L318-V321 VanDerWaalsContact O-CB 3.26Å; L318-V321 WeakPolarHBondContact O-CB 3.47Å; L318-V321 PolarHBondContact O-N 3.31Å; F319-V321 VanDerWaalsContact C-N 3.34Å; F319-V321 PolarHBondContact O-N 2.61Å
322	F	98.4	Very high	97.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-74.4	-29.5	-178	-80.5	-86.8	0	0	0	114.6	F279 L318 F319 K320 I324 L330 F338 F390 L393	F279-F322 AromaticContact CD2-CE2 3.88Å; F279-F322 HydrophobicContact CD2-CE2 3.88Å; F279-F322 AromaticContact CD2-CZ 3.88Å; F279-F322 HydrophobicContact CD2-CZ 3.88Å; F279-F322 AromaticContact CE2-CE2 3.67Å; F279-F322 HydrophobicContact CE2-CE2 3.67Å; F279-F322 HydrophobicContact CE2-CZ 4.1Å; L318-F322 VanDerWaalsContact O-CD2 3.31Å; L318-F322 WeakPolarHBondContact O-CD2 3.11Å; L318-F322 PolarHBondContact O-N 3.09Å; F319-F322 PolarHBondContact O-N 2.98Å; K320-F322 VanDerWaalsContact C-N 3.31Å; K320-F322 PolarHBondContact O-N 3.11Å; F322-I324 PolarHBondContact O-N 2.91Å; F322-L330 VanDerWaalsContact C-CD2 3.4Å; F322-L330 HydrophobicContact CB-CD1 3.87Å; F322-L330 HydrophobicContact CB-CD2 3.85Å; F322-L330 WeakPolarHBondContact O-CD2 3.36Å; F322-F338 HydrophobicContact CB-CE2 4.16Å; F322-F338 HydrophobicContact CB-CZ 4.41Å; F322-F338 HydrophobicContact CD1-CD1 4.19Å; F322-F338 AromaticContact CD1-CD2 3.38Å; F322-F338 HydrophobicContact CD1-CD2 3.38Å; F322-F338 HydrophobicContact CD1-CE1 4.2Å; F322-F338 AromaticContact CD1-CE2 3.4Å; F322-F338 HydrophobicContact CD1-CE2 3.4Å; F322-F338 VanDerWaalsContact CD1-CE2 3.4Å; F322-F338 AromaticContact CD1-CG 3.81Å; F322-F338 HydrophobicContact CD1-CG 3.81Å; F322-F338 AromaticContact CD1-CZ 3.83Å; F322-F338 HydrophobicContact CD1-CZ 3.83Å; F322-F338 HydrophobicContact CE1-CB 4.12Å; F322-F338 AromaticContact CE1-CD1 3.87Å; F322-F338 HydrophobicContact CE1-CD1 3.87Å; F322-F338 AromaticContact CE1-CD2 3.68Å; F322-F338 HydrophobicContact CE1-CD2 3.68Å; F322-F338 HydrophobicContact CE1-CE1 4.22Å; F322-F338 HydrophobicContact CE1-CE2 4.06Å; F322-F338 AromaticContact CE1-CG 3.59Å; F322-F338 HydrophobicContact CE1-CG 3.59Å; F322-F338 HydrophobicContact CE1-CZ 4.31Å; F322-F338 HydrophobicContact CG-CD2 4.45Å; F322-F338 HydrophobicContact CG-CE2 4.07Å; F322-F338 HydrophobicContact CG-CZ 4.22Å; F322-F338 WeakPolarHBondContact O-CE2 3.25Å; F322-F390 AromaticContact CD2-CD1 3.53Å; F322-F390 HydrophobicContact CD2-CD1 3.53Å; F322-F390 AromaticContact CD2-CE1 3.74Å; F322-F390 HydrophobicContact CD2-CE1 3.74Å; F322-F390 HydrophobicContact CE2-CB 4.34Å; F322-F390 AromaticContact CE2-CD1 3.43Å; F322-F390 HydrophobicContact CE2-CD1 3.43Å; F322-F390 VanDerWaalsContact CE2-CD1 3.43Å; F322-F390 HydrophobicContact CE2-CE1 4.13Å; F322-F390 HydrophobicContact CE2-CG 4.26Å; F322-F390 HydrophobicContact CG-CD1 4.33Å; F322-F390 HydrophobicContact CG-CE1 4.38Å; F322-F390 HydrophobicContact CZ-CD1 4.16Å; F322-L393 HydrophobicContact CD1-CD1 4.44Å; F322-L393 HydrophobicContact CE1-CB 3.53Å; F322-L393 HydrophobicContact CE1-CD1 4.03Å; F322-L393 HydrophobicContact CE1-CG 4.46Å; F322-L393 HydrophobicContact CZ-CB 3.95Å
323	D	97.9	Very high	97.3	Very high	7 Å²	7	42 Å²	42	4%	0.037	20%	0.202	C	C	.	.			trans	-78.4	65.9	178.8	-172.5	8.9	0	0	0	111.7	F319 K320 R325 Q326 R327 G328 L330	F319-D323 HydrophobicContact CD1-CB 4.38Å; F319-D323 HydrophobicContact CE1-CB 4.05Å; F319-D323 WeakPolarHBondContact O-CB 3.13Å; F319-D323 PolarHBondContact O-N 3.3Å; K320-D323 PolarHBondContact O-N 3.4Å; D323-R325 PolarHBondContact O-N 3.36Å; D323-Q326 PolarHBondContact O-N 2.9Å; D323-Q326 WeakPolarHBondContact OD1-CA 3.28Å; D323-Q326 PolarHBondContact OD1-N 3.41Å; D323-Q326 WeakPolarHBondContact OD2-CA 3.34Å; D323-R327 VanDerWaalsContact CG-N 3.35Å; D323-R327 PolarHBondContact OD1-N 2.72Å; D323-R327 PolarHBondContact OD2-N 2.89Å; D323-G328 WeakPolarHBondContact OD2-CA 3.46Å; D323-G328 PolarHBondContact OD2-N 2.95Å; D323-L330 HydrophobicContact CB-CD2 4.01Å
324	I	96.5	Very high	97.4	Very high	38 Å²	38	41.7 Å²	41.7	20%	0.195	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-20.7	-176.4	54.2	161.1	0	0	0	114.4	R282 F322 F333 A334 Y337 F338	R282-I324 HydrophobicContact CG-CG2 4.08Å; F322-I324 PolarHBondContact O-N 2.91Å; I324-F333 HydrophobicContact CD1-CD1 3.96Å; I324-F333 HydrophobicContact CD1-CE1 3.64Å; I324-A334 HydrophobicContact CD1-CB 4.25Å; I324-A334 HydrophobicContact CG1-CB 4Å; I324-Y337 HydrophobicContact CD1-CG 4.25Å; I324-Y337 HydrophobicContact CG2-CD1 4.05Å; I324-Y337 HydrophobicContact CG2-CE1 4.27Å; I324-F338 HydrophobicContact CG2-CE2 3.76Å; I324-F338 HydrophobicContact CG2-CZ 3.64Å
325	R	95.4	Very high	97.4	Very high	128 Å²	128	41.8 Å²	41.8	48%	0.483	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	5	-178.2	-67.2	179.2	76.1	172.7	7.6	113.1	D323 R327	D323-R325 PolarHBondContact O-N 3.36Å; R325-R327 VanDerWaalsContact C-N 3.27Å; R325-R327 HydrophobicContact CB-CG 3.88Å; R325-R327 VanDerWaalsContact NH1-CZ 3.28Å; R325-R327 PolarHBondContact O-N 3.46Å
326	Q	95.2	Very high	97.5	Very high	115 Å²	115	43.7 Å²	43.7	54%	0.537	21%	0.211	S	C	.	.			trans	51.7	45.6	179	-60.6	-72.3	-10.5	0	0	112.1	E286 D323	E286-Q326 PolarHBondContact OE1-NE2 3.4Å; E286-Q326 VanDerWaalsContact OE1-NE2 3.13Å; E286-Q326 PolarHBondContact OE2-NE2 3.03Å; E286-Q326 VanDerWaalsContact OE2-NE2 3.11Å; D323-Q326 PolarHBondContact O-N 2.9Å; D323-Q326 WeakPolarHBondContact OD1-CA 3.28Å; D323-Q326 PolarHBondContact OD1-N 3.41Å; D323-Q326 WeakPolarHBondContact OD2-CA 3.34Å
327	R	96.6	Very high	97.6	Very high	95 Å²	95	44.7 Å²	44.7	36%	0.358	21%	0.211	S	C	.	.	S	Bend	trans	-91.4	-15.8	-176.9	-72.2	176.3	167.7	-157.7	-20.1	113.1	D323 R325 Y329 D331	D323-R327 VanDerWaalsContact CG-N 3.35Å; D323-R327 PolarHBondContact OD1-N 2.72Å; D323-R327 PolarHBondContact OD2-N 2.89Å; R325-R327 VanDerWaalsContact C-N 3.27Å; R325-R327 HydrophobicContact CB-CG 3.88Å; R325-R327 VanDerWaalsContact NH1-CZ 3.28Å; R325-R327 PolarHBondContact O-N 3.46Å; R327-Y329 VanDerWaalsContact C-N 3.28Å; R327-Y329 HydrophobicContact CB-CD1 3.93Å; R327-Y329 HydrophobicContact CB-CE1 3.73Å; R327-Y329 HydrophobicContact CB-CE2 4.39Å; R327-Y329 HydrophobicContact CB-CG 4.35Å; R327-Y329 WeakPolarHBondContact O-CD1 3.23Å; R327-D331 IonicContact CZ-OD2 3.91Å; R327-D331 IonicContact NH1-OD2 2.7Å; R327-D331 PolarHBondContact NH1-OD2 3.38Å
328	G	97.6	Very high	97.6	Very high	44 Å²	44	43.3 Å²	43.3	45%	0.454	21%	0.206	S	C	.	.	S	Bend	trans	80.4	6.2	-169.6	0	0	0	0	0	113.8	F319 D323	F319-G328 WeakPolarHBondContact CZ-O 3.32Å; D323-G328 WeakPolarHBondContact OD2-CA 3.46Å; D323-G328 PolarHBondContact OD2-N 2.95Å
329	Y	98.5	Very high	97.7	Very high	58 Å²	58	43.2 Å²	43.2	23%	0.227	21%	0.205	C	C	.	.	S	Bend	trans	-152.4	153.5	176.7	63.6	-96.4	0	0	0	111.6	R327 D331 Q374 I375	R327-Y329 VanDerWaalsContact C-N 3.28Å; R327-Y329 HydrophobicContact CB-CD1 3.93Å; R327-Y329 HydrophobicContact CB-CE1 3.73Å; R327-Y329 HydrophobicContact CB-CE2 4.39Å; R327-Y329 HydrophobicContact CB-CG 4.35Å; R327-Y329 WeakPolarHBondContact O-CD1 3.23Å; Y329-D331 HydrophobicContact CD2-CB 4.38Å; Y329-D331 HydrophobicContact CE2-CB 4.19Å; Y329-Q374 HydrophobicContact CD1-CG 4.45Å; Y329-Q374 HydrophobicContact CD2-CB 3.82Å; Y329-Q374 HydrophobicContact CD2-CG 3.53Å; Y329-Q374 HydrophobicContact CE2-CG 3.77Å; Y329-Q374 HydrophobicContact CG-CB 3.88Å; Y329-Q374 HydrophobicContact CG-CG 3.9Å; Y329-I375 CarbonylContact C-O 3.56Å; Y329-I375 VanDerWaalsContact CA-O 3.31Å; Y329-I375 WeakPolarHBondContact CA-O 3.33Å
330	L	98.5	Very high	97.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-100.5	123.7	173.6	-48.3	177.5	0	0	0	109.1	F319 F322 D323 A334 L335 I375 F389	F319-L330 HydrophobicContact CD2-CD1 4.2Å; F319-L330 HydrophobicContact CD2-CG 4.27Å; F319-L330 HydrophobicContact CE2-CD1 4.1Å; F319-L330 HydrophobicContact CE2-CD2 4.2Å; F319-L330 HydrophobicContact CE2-CG 3.72Å; F319-L330 HydrophobicContact CZ-CD2 4.47Å; F319-L330 HydrophobicContact CZ-CG 4.33Å; F322-L330 VanDerWaalsContact C-CD2 3.4Å; F322-L330 HydrophobicContact CB-CD1 3.87Å; F322-L330 HydrophobicContact CB-CD2 3.85Å; F322-L330 WeakPolarHBondContact O-CD2 3.36Å; D323-L330 HydrophobicContact CB-CD2 4.01Å; L330-A334 HydrophobicContact CB-CB 4.49Å; L330-A334 HydrophobicContact CD2-CB 4.41Å; L330-L335 HydrophobicContact CB-CD2 4.09Å; L330-L335 HydrophobicContact CD1-CD2 4.39Å; L330-I375 HydrophobicContact CB-CB 4.25Å; L330-I375 PolarHBondContact N-O 2.92Å; L330-I375 PolarHBondContact O-N 3.05Å; L330-F389 HydrophobicContact CD1-CE1 3.76Å; L330-F389 HydrophobicContact CD1-CZ 3.71Å
331	D	97.8	Very high	97.7	Very high	23 Å²	23	44.5 Å²	44.5	12%	0.123	21%	0.207	C	C	.	.			trans	-108.5	173.5	172.9	59.3	23.4	0	0	0	110.3	R327 Y329 F333 A334 L335	R327-D331 IonicContact CZ-OD2 3.91Å; R327-D331 IonicContact NH1-OD2 2.7Å; R327-D331 PolarHBondContact NH1-OD2 3.38Å; Y329-D331 HydrophobicContact CD2-CB 4.38Å; Y329-D331 HydrophobicContact CE2-CB 4.19Å; D331-F333 PolarHBondContact O-N 3.24Å; D331-F333 WeakPolarHBondContact OD1-CB 3.36Å; D331-F333 PolarHBondContact OD1-N 3.04Å; D331-F333 VanDerWaalsContact OD1-N 3.16Å; D331-A334 PolarHBondContact O-N 2.88Å; D331-A334 PolarHBondContact OD1-N 3.1Å; D331-L335 WeakPolarHBondContact O-CG 3.38Å; D331-L335 PolarHBondContact O-N 3.34Å
332	S	98	Very high	97.7	Very high	46 Å²	46	44.4 Å²	44.4	32%	0.322	21%	0.207	S	C	.	.	H	α-helix	trans	-55.7	-25.4	178.5	-62.9	0	0	0	0	114	N336 F356 N360	S332-N336 WeakPolarHBondContact O-CB 3.49Å; S332-N336 PolarHBondContact O-N 3.18Å; S332-F356 VanDerWaalsContact O-CZ 3.27Å; S332-F356 WeakPolarHBondContact O-CZ 3.45Å; S332-N360 WeakPolarHBondContact CB-OD1 3.34Å; S332-N360 PolarHBondContact OG-ND2 2.77Å; S332-N360 PolarHBondContact OG-OD1 3.23Å
333	F	97.6	Very high	97.7	Very high	120 Å²	120	46.9 Å²	46.9	53%	0.526	22%	0.218	S	C	.	.	H	α-helix	trans	-69.1	-46.4	175.1	174.1	-89	0	0	0	111.2	I324 D331 N336 Y337	I324-F333 HydrophobicContact CD1-CD1 3.96Å; I324-F333 HydrophobicContact CD1-CE1 3.64Å; D331-F333 PolarHBondContact O-N 3.24Å; D331-F333 WeakPolarHBondContact OD1-CB 3.36Å; D331-F333 PolarHBondContact OD1-N 3.04Å; D331-F333 VanDerWaalsContact OD1-N 3.16Å; F333-N336 PolarHBondContact O-N 2.94Å; F333-Y337 PolarHBondContact O-N 3.48Å; F333-Y337 VanDerWaalsContact O-N 3.15Å
334	A	97.9	Very high	97.7	Very high	4 Å²	4	52 Å²	52	3%	0.033	24%	0.237	C	C	.	.	H	α-helix	trans	-60.2	-45.5	175.2	0	0	0	0	0	111.3	I324 L330 D331 N336 Y337 F338	I324-A334 HydrophobicContact CD1-CB 4.25Å; I324-A334 HydrophobicContact CG1-CB 4Å; L330-A334 HydrophobicContact CB-CB 4.49Å; L330-A334 HydrophobicContact CD2-CB 4.41Å; D331-A334 PolarHBondContact O-N 2.88Å; D331-A334 PolarHBondContact OD1-N 3.1Å; A334-N336 PolarHBondContact O-N 3.09Å; A334-Y337 WeakPolarHBondContact O-CB 3.35Å; A334-Y337 PolarHBondContact O-N 3.25Å; A334-F338 WeakPolarHBondContact O-CD2 3.36Å
335	L	98.5	Very high	97.6	Very high	1 Å²	1	51 Å²	51	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-63.2	-42.8	179.1	-53.7	-173.7	0	0	0	112	L330 D331 Y337 F338 Y339 F356 L363 F364 I375 F389 L393	L330-L335 HydrophobicContact CB-CD2 4.09Å; L330-L335 HydrophobicContact CD1-CD2 4.39Å; D331-L335 WeakPolarHBondContact O-CG 3.38Å; D331-L335 PolarHBondContact O-N 3.34Å; L335-Y337 VanDerWaalsContact C-N 3.26Å; L335-Y337 PolarHBondContact O-N 2.85Å; L335-F338 PolarHBondContact O-N 3.33Å; L335-Y339 WeakPolarHBondContact O-CB 3.45Å; L335-Y339 PolarHBondContact O-N 3.11Å; L335-F356 HydrophobicContact CB-CE2 4.12Å; L335-F356 HydrophobicContact CB-CZ 4.2Å; L335-L363 HydrophobicContact CD1-CB 4.44Å; L335-L363 HydrophobicContact CD1-CD1 4.14Å; L335-F364 HydrophobicContact CD1-CD2 4.32Å; L335-F364 HydrophobicContact CD1-CE2 3.77Å; L335-F364 HydrophobicContact CD1-CZ 4.44Å; L335-I375 HydrophobicContact CD1-CD1 4.44Å; L335-F389 HydrophobicContact CD2-CE2 4.15Å; L335-F389 HydrophobicContact CD2-CZ 3.63Å; L335-L393 HydrophobicContact CD2-CD1 3.83Å
336	N	98.4	Very high	97.7	Very high	41 Å²	41	45 Å²	45	22%	0.219	21%	0.211	C	C	.	.	H	α-helix	trans	-62.4	-34	178.5	-167.6	17.6	0	0	0	112.4	S332 F333 A334 Y339 R340 F356	S332-N336 WeakPolarHBondContact O-CB 3.49Å; S332-N336 PolarHBondContact O-N 3.18Å; F333-N336 PolarHBondContact O-N 2.94Å; A334-N336 PolarHBondContact O-N 3.09Å; N336-Y339 PolarHBondContact O-N 3.46Å; N336-R340 WeakPolarHBondContact O-CG 3.4Å; N336-R340 PolarHBondContact O-N 3.4Å; N336-F356 VanDerWaalsContact CA-CE2 3.41Å; N336-F356 HydrophobicContact CB-CD1 4.2Å; N336-F356 HydrophobicContact CB-CD2 4.24Å; N336-F356 HydrophobicContact CB-CE1 3.73Å; N336-F356 HydrophobicContact CB-CE2 3.77Å; N336-F356 HydrophobicContact CB-CG 4.44Å; N336-F356 HydrophobicContact CB-CZ 3.5Å; N336-F356 VanDerWaalsContact CB-CZ 3.5Å
337	Y	98.4	Very high	97.8	Very high	70 Å²	70	45.3 Å²	45.3	28%	0.275	21%	0.212	S	C	.	.	H	α-helix	trans	-58.6	-49.6	176.2	172.3	-94.4	0	0	0	111.6	E278 R282 I324 F333 A334 L335	E278-Y337 HydrophobicContact CB-CD1 4.33Å; E278-Y337 HydrophobicContact CB-CE1 3.71Å; E278-Y337 HydrophobicContact CG-CD1 4.45Å; E278-Y337 HydrophobicContact CG-CE1 3.92Å; E278-Y337 HydrophobicContact CG-CE2 4.23Å; R282-Y337 HydrophobicContact CG-CE1 3.99Å; I324-Y337 HydrophobicContact CD1-CG 4.25Å; I324-Y337 HydrophobicContact CG2-CD1 4.05Å; I324-Y337 HydrophobicContact CG2-CE1 4.27Å; F333-Y337 PolarHBondContact O-N 3.48Å; F333-Y337 VanDerWaalsContact O-N 3.15Å; A334-Y337 WeakPolarHBondContact O-CB 3.35Å; A334-Y337 PolarHBondContact O-N 3.25Å; L335-Y337 VanDerWaalsContact C-N 3.26Å; L335-Y337 PolarHBondContact O-N 2.85Å
338	F	98.6	Very high	97.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-71.4	-37.3	178.2	-65.3	-77	0	0	0	112.3	E278 F279 R282 F322 I324 A334 L335 R340 G341 I342 L393	E278-F338 HydrophobicContact CB-CD1 4.31Å; F279-F338 HydrophobicContact CB-CD1 4.36Å; R282-F338 HydrophobicContact CB-CE1 4.15Å; R282-F338 HydrophobicContact CB-CZ 4.33Å; R282-F338 HydrophobicContact CG-CE1 3.9Å; R282-F338 HydrophobicContact CG-CZ 3.91Å; F322-F338 HydrophobicContact CB-CE2 4.16Å; F322-F338 HydrophobicContact CB-CZ 4.41Å; F322-F338 HydrophobicContact CD1-CD1 4.19Å; F322-F338 AromaticContact CD1-CD2 3.38Å; F322-F338 HydrophobicContact CD1-CD2 3.38Å; F322-F338 HydrophobicContact CD1-CE1 4.2Å; F322-F338 AromaticContact CD1-CE2 3.4Å; F322-F338 HydrophobicContact CD1-CE2 3.4Å; F322-F338 VanDerWaalsContact CD1-CE2 3.4Å; F322-F338 AromaticContact CD1-CG 3.81Å; F322-F338 HydrophobicContact CD1-CG 3.81Å; F322-F338 AromaticContact CD1-CZ 3.83Å; F322-F338 HydrophobicContact CD1-CZ 3.83Å; F322-F338 HydrophobicContact CE1-CB 4.12Å; F322-F338 AromaticContact CE1-CD1 3.87Å; F322-F338 HydrophobicContact CE1-CD1 3.87Å; F322-F338 AromaticContact CE1-CD2 3.68Å; F322-F338 HydrophobicContact CE1-CD2 3.68Å; F322-F338 HydrophobicContact CE1-CE1 4.22Å; F322-F338 HydrophobicContact CE1-CE2 4.06Å; F322-F338 AromaticContact CE1-CG 3.59Å; F322-F338 HydrophobicContact CE1-CG 3.59Å; F322-F338 HydrophobicContact CE1-CZ 4.31Å; F322-F338 HydrophobicContact CG-CD2 4.45Å; F322-F338 HydrophobicContact CG-CE2 4.07Å; F322-F338 HydrophobicContact CG-CZ 4.22Å; F322-F338 WeakPolarHBondContact O-CE2 3.25Å; I324-F338 HydrophobicContact CG2-CE2 3.76Å; I324-F338 HydrophobicContact CG2-CZ 3.64Å; A334-F338 WeakPolarHBondContact O-CD2 3.36Å; L335-F338 PolarHBondContact O-N 3.33Å; F338-R340 PolarHBondContact O-N 2.69Å; F338-G341 WeakPolarHBondContact O-CA 3.46Å; F338-G341 PolarHBondContact O-N 3.5Å; F338-I342 PolarHBondContact O-N 3.15Å; F338-L393 HydrophobicContact CB-CB 4.14Å; F338-L393 HydrophobicContact CB-CD2 4.48Å
339	Y	98.4	Very high	97.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.5	-33.5	177.8	-173.3	-110	0	0	0	113	L335 N336 G341 I342 Q343 V354 F356 I359 F399	L335-Y339 WeakPolarHBondContact O-CB 3.45Å; L335-Y339 PolarHBondContact O-N 3.11Å; N336-Y339 PolarHBondContact O-N 3.46Å; Y339-G341 PolarHBondContact O-N 3.11Å; Y339-I342 HydrophobicContact CD2-CB 4.23Å; Y339-I342 HydrophobicContact CD2-CG2 4.5Å; Y339-I342 HydrophobicContact CE2-CB 4.45Å; Y339-I342 HydrophobicContact CE2-CG2 4.28Å; Y339-I342 CarbonylContact O-C 3.51Å; Y339-I342 WeakPolarHBondContact O-CA 2.87Å; Y339-I342 WeakPolarHBondContact O-CB 3.17Å; Y339-I342 PolarHBondContact O-N 3.14Å; Y339-Q343 HydrophobicContact CD1-CG 3.65Å; Y339-Q343 HydrophobicContact CE1-CG 3.28Å; Y339-Q343 HydrophobicContact CG-CG 4.43Å; Y339-Q343 WeakPolarHBondContact O-CG 3.46Å; Y339-Q343 PolarHBondContact O-N 3.37Å; Y339-V354 VanDerWaalsContact OH-C 3.26Å; Y339-V354 WeakPolarHBondContact OH-CB 3.18Å; Y339-V354 PolarHBondContact OH-O 2.6Å; Y339-F356 HydrophobicContact CD1-CB 3.68Å; Y339-F356 AromaticContact CD1-CD2 3.52Å; Y339-F356 HydrophobicContact CD1-CD2 3.52Å; Y339-F356 HydrophobicContact CD1-CG 4.02Å; Y339-F356 HydrophobicContact CE1-CB 3.75Å; Y339-F356 HydrophobicContact CE1-CD2 4.27Å; Y339-F356 AromaticContact CG-CD2 3.74Å; Y339-F356 HydrophobicContact CG-CD2 3.74Å; Y339-F356 HydrophobicContact CG-CE2 4.49Å; Y339-I359 HydrophobicContact CD2-CG2 4.19Å; Y339-I359 HydrophobicContact CE2-CB 4.25Å; Y339-I359 HydrophobicContact CE2-CG1 3.8Å; Y339-I359 HydrophobicContact CE2-CG2 4.2Å; Y339-F399 HydrophobicContact CE2-CD2 4.45Å; Y339-F399 AromaticContact CE2-CE2 3.75Å; Y339-F399 HydrophobicContact CE2-CE2 3.75Å; Y339-F399 HydrophobicContact CE2-CZ 4.21Å
340	R	98.1	Very high	97.3	Very high	141 Å²	141	54.8 Å²	54.8	53%	0.532	26%	0.255	S	S	.	.	H	α-helix	trans	-58.5	-30.1	172.6	-75.3	172.3	179.4	-155.9	-2.1	113.3	N336 F338 R344	N336-R340 WeakPolarHBondContact O-CG 3.4Å; N336-R340 PolarHBondContact O-N 3.4Å; F338-R340 PolarHBondContact O-N 2.69Å; R340-R344 PolarHBondContact O-N 3.01Å; R340-R344 VanDerWaalsContact O-N 3.09Å
341	G	97.7	Very high	97.1	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-65.9	-46.4	173.6	0	0	0	0	0	110.7	T276 E278 F338 Y339 R344 S345	T276-G341 VanDerWaalsContact CG2-C 3.48Å; E278-G341 WeakPolarHBondContact OE1-CA 3.18Å; E278-G341 PolarHBondContact OE1-N 2.99Å; E278-G341 WeakPolarHBondContact OE2-CA 3.16Å; F338-G341 WeakPolarHBondContact O-CA 3.46Å; F338-G341 PolarHBondContact O-N 3.5Å; Y339-G341 PolarHBondContact O-N 3.11Å; G341-R344 PolarHBondContact O-N 3.04Å; G341-S345 PolarHBondContact O-N 2.86Å; G341-S345 PolarHBondContact O-OG 3.5Å
342	I	98.2	Very high	96.8	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-61.7	-45.8	175.5	-57.9	-65.6	0	0	0	111.1	T276 F338 Y339 R344 S345 L346 I392 F399	T276-I342 HydrophobicContact CG2-CD1 3.57Å; T276-I342 HydrophobicContact CG2-CG1 4.18Å; F338-I342 PolarHBondContact O-N 3.15Å; Y339-I342 HydrophobicContact CD2-CB 4.23Å; Y339-I342 HydrophobicContact CD2-CG2 4.5Å; Y339-I342 HydrophobicContact CE2-CB 4.45Å; Y339-I342 HydrophobicContact CE2-CG2 4.28Å; Y339-I342 CarbonylContact O-C 3.51Å; Y339-I342 WeakPolarHBondContact O-CA 2.87Å; Y339-I342 WeakPolarHBondContact O-CB 3.17Å; Y339-I342 PolarHBondContact O-N 3.14Å; I342-R344 VanDerWaalsContact C-N 3.34Å; I342-R344 PolarHBondContact O-N 3.13Å; I342-S345 PolarHBondContact O-N 3.09Å; I342-S345 VanDerWaalsContact O-N 3.16Å; I342-L346 HydrophobicContact CG2-CD1 4.01Å; I342-L346 HydrophobicContact CG2-CG 4.27Å; I342-L346 WeakPolarHBondContact O-CG 3.45Å; I342-L346 PolarHBondContact O-N 2.97Å; I342-I392 WeakPolarHBondContact CD1-O 3.26Å; I342-F399 HydrophobicContact CD1-CB 4.23Å; I342-F399 HydrophobicContact CG2-CB 3.88Å; I342-F399 HydrophobicContact CG2-CD1 3.8Å; I342-F399 HydrophobicContact CG2-CD2 3.67Å; I342-F399 HydrophobicContact CG2-CE1 4.28Å; I342-F399 HydrophobicContact CG2-CE2 4.18Å; I342-F399 HydrophobicContact CG2-CG 3.48Å; I342-F399 VanDerWaalsContact CG2-CG 3.48Å; I342-F399 HydrophobicContact CG2-CZ 4.47Å
343	Q	97.6	Very high	96.6	Very high	52 Å²	52	68.4 Å²	68.4	24%	0.243	31%	0.313	C	S	.	.	H	α-helix	trans	-56.7	-47.2	177.6	-71.1	-174.6	-63.7	0	0	111.6	Y339 S345 L346 E347 Q353	Y339-Q343 HydrophobicContact CD1-CG 3.65Å; Y339-Q343 HydrophobicContact CE1-CG 3.28Å; Y339-Q343 HydrophobicContact CG-CG 4.43Å; Y339-Q343 WeakPolarHBondContact O-CG 3.46Å; Y339-Q343 PolarHBondContact O-N 3.37Å; Q343-S345 PolarHBondContact O-N 3.05Å; Q343-L346 WeakPolarHBondContact O-CB 3.36Å; Q343-L346 PolarHBondContact O-N 3.5Å; Q343-E347 WeakPolarHBondContact O-CG 3.4Å; Q343-E347 PolarHBondContact O-N 2.88Å; Q343-Q353 PolarHBondContact O-NE2 3.13Å
344	R	97.4	Very high	96.4	Very high	115 Å²	115	64.1 Å²	64.1	43%	0.434	30%	0.297	S	S	.	.	H	α-helix	trans	-60.3	-45.8	175.5	-78.2	-168.3	-115.9	110.5	-5.9	112	E278 R340 G341 I342 L346 E347 E348	E278-R344 IonicContact OE1-CZ 2.93Å; E278-R344 IonicContact OE1-NE 3.99Å; E278-R344 IonicContact OE1-NH1 3.36Å; E278-R344 PolarHBondContact OE1-NH1 3.03Å; E278-R344 IonicContact OE1-NH2 2.54Å; E278-R344 PolarHBondContact OE1-NH2 2.83Å; E278-R344 IonicContact OE2-CZ 3.7Å; E278-R344 IonicContact OE2-NH1 3.19Å; E278-R344 PolarHBondContact OE2-NH1 3.23Å; E278-R344 IonicContact OE2-NH2 3.8Å; R340-R344 PolarHBondContact O-N 3.01Å; R340-R344 VanDerWaalsContact O-N 3.09Å; G341-R344 PolarHBondContact O-N 3.04Å; I342-R344 VanDerWaalsContact C-N 3.34Å; I342-R344 PolarHBondContact O-N 3.13Å; R344-L346 VanDerWaalsContact C-N 3.31Å; R344-L346 PolarHBondContact O-N 3.12Å; R344-E347 PolarHBondContact O-N 3.08Å; R344-E347 VanDerWaalsContact O-N 3.17Å; R344-E348 WeakPolarHBondContact O-CG 3.33Å; R344-E348 PolarHBondContact O-N 2.86Å
345	S	96.3	Very high	96.2	Very high	17 Å²	17	70.6 Å²	70.6	12%	0.119	33%	0.325	C	S	.	.	H	α-helix	trans	-63.1	-36.7	177.5	-61	0	0	0	0	112.6	G341 I342 Q343 H349	G341-S345 PolarHBondContact O-N 2.86Å; G341-S345 PolarHBondContact O-OG 3.5Å; I342-S345 PolarHBondContact O-N 3.09Å; I342-S345 VanDerWaalsContact O-N 3.16Å; Q343-S345 PolarHBondContact O-N 3.05Å; S345-H349 PolarHBondContact O-N 2.93Å; S345-H349 VanDerWaalsContact O-N 3.11Å; S345-H349 PolarHBondContact O-ND1 2.96Å
346	L	97	Very high	96.2	Very high	2 Å²	2	71.9 Å²	71.9	1%	0.01	33%	0.33	C	S	.	.	H	α-helix	trans	-63	-43.9	172.6	-71.9	167.2	0	0	0	111.3	I342 Q343 R344 H349 N350 Y351 L396 F399 L400	I342-L346 HydrophobicContact CG2-CD1 4.01Å; I342-L346 HydrophobicContact CG2-CG 4.27Å; I342-L346 WeakPolarHBondContact O-CG 3.45Å; I342-L346 PolarHBondContact O-N 2.97Å; Q343-L346 WeakPolarHBondContact O-CB 3.36Å; Q343-L346 PolarHBondContact O-N 3.5Å; R344-L346 VanDerWaalsContact C-N 3.31Å; R344-L346 PolarHBondContact O-N 3.12Å; L346-H349 PolarHBondContact O-N 3.43Å; L346-N350 PolarHBondContact O-N 3.11Å; L346-Y351 VanDerWaalsContact CD2-CB 3.4Å; L346-Y351 HydrophobicContact CD2-CD2 4.27Å; L346-Y351 HydrophobicContact CD2-CG 4.05Å; L346-Y351 PolarHBondContact O-N 3.18Å; L346-L396 HydrophobicContact CD2-CD1 3.57Å; L346-L396 HydrophobicContact CG-CD1 3.81Å; L346-F399 HydrophobicContact CD1-CD1 4.28Å; L346-F399 HydrophobicContact CD1-CE1 3.78Å; L346-F399 HydrophobicContact CD1-CZ 4.35Å; L346-F399 HydrophobicContact CD2-CD1 4.13Å; L346-F399 HydrophobicContact CD2-CE1 4.08Å; L346-F399 HydrophobicContact CG-CE1 4.44Å; L346-L400 HydrophobicContact CD2-CD2 3.96Å
347	E	96.3	Very high	96.2	Very high	121 Å²	121	76 Å²	76	57%	0.565	35%	0.348	S	S	*	.	H	α-helix	trans	-62.7	-47.4	176.7	-68.2	179.4	174.1	0	0	111.4	Q343 R344 H349 N350	Q343-E347 WeakPolarHBondContact O-CG 3.4Å; Q343-E347 PolarHBondContact O-N 2.88Å; R344-E347 PolarHBondContact O-N 3.08Å; R344-E347 VanDerWaalsContact O-N 3.17Å; E347-H349 VanDerWaalsContact C-N 3.28Å; E347-H349 PolarHBondContact O-N 3.21Å; E347-N350 PolarHBondContact O-N 3.19Å; E347-N350 VanDerWaalsContact O-N 3.15Å
348	E	95.3	Very high	96	Very high	139 Å²	139	76.6 Å²	76.6	65%	0.65	36%	0.356	S	S	*	.	H	α-helix	trans	-59.9	-37.1	-180	-74.2	170.4	177.9	0	0	112.5	R344	R344-E348 WeakPolarHBondContact O-CG 3.33Å; R344-E348 PolarHBondContact O-N 2.86Å
349	H	94	Very high	95.9	Very high	107 Å²	107	76.6 Å²	76.6	50%	0.495	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	7.8	179.9	-63.3	80.4	0	0	0	113.6	S345 L346 E347 Y351 L396	S345-H349 PolarHBondContact O-N 2.93Å; S345-H349 VanDerWaalsContact O-N 3.11Å; S345-H349 PolarHBondContact O-ND1 2.96Å; L346-H349 PolarHBondContact O-N 3.43Å; E347-H349 VanDerWaalsContact C-N 3.28Å; E347-H349 PolarHBondContact O-N 3.21Å; H349-Y351 VanDerWaalsContact C-N 3.31Å; H349-Y351 HydrophobicContact CB-CD2 3.57Å; H349-Y351 HydrophobicContact CB-CE2 3.55Å; H349-Y351 PolarHBondContact O-N 3.19Å; H349-L396 HydrophobicContact CB-CD2 4.22Å
350	N	93.5	Very high	95.9	Very high	150 Å²	150	77.9 Å²	77.9	80%	0.802	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.9	33.2	179	-54.9	-79.5	0	0	0	115	L346 E347	L346-N350 PolarHBondContact O-N 3.11Å; E347-N350 PolarHBondContact O-N 3.19Å; E347-N350 VanDerWaalsContact O-N 3.15Å
351	Y	94.3	Very high	95.9	Very high	118 Å²	118	73.4 Å²	73.4	46%	0.463	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-82.1	158.9	169.1	-70.5	-75	0	0	0	111.4	L346 H349 L396 L400	L346-Y351 VanDerWaalsContact CD2-CB 3.4Å; L346-Y351 HydrophobicContact CD2-CD2 4.27Å; L346-Y351 HydrophobicContact CD2-CG 4.05Å; L346-Y351 PolarHBondContact O-N 3.18Å; H349-Y351 VanDerWaalsContact C-N 3.31Å; H349-Y351 HydrophobicContact CB-CD2 3.57Å; H349-Y351 HydrophobicContact CB-CE2 3.55Å; H349-Y351 PolarHBondContact O-N 3.19Å; Y351-L396 HydrophobicContact CD2-CD2 4.36Å; Y351-L396 HydrophobicContact CE2-CD2 4.22Å; Y351-L400 HydrophobicContact CD1-CD2 3.97Å; Y351-L400 HydrophobicContact CD2-CD1 4.15Å; Y351-L400 HydrophobicContact CD2-CD2 4.4Å; Y351-L400 HydrophobicContact CE1-CD1 4.03Å; Y351-L400 HydrophobicContact CE1-CD2 4.16Å; Y351-L400 HydrophobicContact CE2-CD1 3.64Å; Y351-L400 HydrophobicContact CG-CD2 4.1Å
352	L	92	Very high	95.8	Very high	159 Å²	159	76.3 Å²	76.3	83%	0.832	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-66.5	136	175	-69.6	172.4	0	0	0	110.5
353	Q	93.1	Very high	95.8	Very high	78 Å²	78	76.4 Å²	76.4	36%	0.364	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-74	135.5	174.7	-67.7	-61.4	-47.6	0	0	110.4	Q343	Q343-Q353 PolarHBondContact O-NE2 3.13Å
354	V	92.9	Very high	95.9	Very high	30 Å²	30	75 Å²	75	18%	0.182	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-102	151.2	170.3	-172.3	0	0	0	0	108.1	Y339 I359 F399 E403	Y339-V354 VanDerWaalsContact OH-C 3.26Å; Y339-V354 WeakPolarHBondContact OH-CB 3.18Å; Y339-V354 PolarHBondContact OH-O 2.6Å; V354-I359 HydrophobicContact CB-CG1 4.4Å; V354-I359 HydrophobicContact CG1-CD1 3.78Å; V354-I359 HydrophobicContact CG1-CG1 3.81Å; V354-F399 HydrophobicContact CB-CZ 4.16Å; V354-F399 HydrophobicContact CG2-CE1 4.28Å; V354-F399 HydrophobicContact CG2-CZ 3.94Å; V354-E403 WeakPolarHBondContact CG2-OE2 3.32Å
355	K	95.1	Very high	95.9	Very high	141 Å²	141	75.2 Å²	75.2	61%	0.613	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-78.8	137.5	177	-67.1	175.3	-179	170.4	0	109.3	E357 D358 I359	K355-E357 PolarHBondContact O-N 3.43Å; K355-D358 PolarHBondContact O-N 3.16Å; K355-I359 PolarHBondContact O-N 2.93Å
356	F	97.3	Very high	95.9	Very high	27 Å²	27	76 Å²	76	12%	0.118	38%	0.375	C	S	.	.	H	α-helix	trans	-59	-36.2	176.8	172.1	-110.1	0	0	0	111.8	S332 L335 N336 Y339 D358 I359 N360	S332-F356 VanDerWaalsContact O-CZ 3.27Å; S332-F356 WeakPolarHBondContact O-CZ 3.45Å; L335-F356 HydrophobicContact CB-CE2 4.12Å; L335-F356 HydrophobicContact CB-CZ 4.2Å; N336-F356 VanDerWaalsContact CA-CE2 3.41Å; N336-F356 HydrophobicContact CB-CD1 4.2Å; N336-F356 HydrophobicContact CB-CD2 4.24Å; N336-F356 HydrophobicContact CB-CE1 3.73Å; N336-F356 HydrophobicContact CB-CE2 3.77Å; N336-F356 HydrophobicContact CB-CG 4.44Å; N336-F356 HydrophobicContact CB-CZ 3.5Å; N336-F356 VanDerWaalsContact CB-CZ 3.5Å; Y339-F356 HydrophobicContact CD1-CB 3.68Å; Y339-F356 AromaticContact CD1-CD2 3.52Å; Y339-F356 HydrophobicContact CD1-CD2 3.52Å; Y339-F356 HydrophobicContact CD1-CG 4.02Å; Y339-F356 HydrophobicContact CE1-CB 3.75Å; Y339-F356 HydrophobicContact CE1-CD2 4.27Å; Y339-F356 AromaticContact CG-CD2 3.74Å; Y339-F356 HydrophobicContact CG-CD2 3.74Å; Y339-F356 HydrophobicContact CG-CE2 4.49Å; F356-D358 VanDerWaalsContact C-N 3.26Å; F356-D358 PolarHBondContact O-N 2.92Å; F356-I359 PolarHBondContact O-N 3.26Å; F356-N360 HydrophobicContact CD1-CB 4.47Å; F356-N360 HydrophobicContact CD2-CB 4.43Å; F356-N360 HydrophobicContact CE1-CB 3.97Å; F356-N360 HydrophobicContact CE2-CB 3.93Å; F356-N360 HydrophobicContact CZ-CB 3.67Å; F356-N360 WeakPolarHBondContact O-CB 3.32Å; F356-N360 PolarHBondContact O-N 2.81Å
357	E	97.6	Very high	95.9	Very high	127 Å²	127	76.1 Å²	76.1	59%	0.593	38%	0.376	S	S	*	.	H	α-helix	trans	-59.3	-38.5	-179.6	-65.6	77.2	-168.7	0	0	112.5	K355 A361	K355-E357 PolarHBondContact O-N 3.43Å; E357-A361 WeakPolarHBondContact O-CB 3.29Å; E357-A361 PolarHBondContact O-N 3.2Å
358	D	96.2	Very high	96	Very high	83 Å²	83	80.3 Å²	80.3	44%	0.444	39%	0.386	S	S	.	.	H	α-helix	trans	-69.8	-51.2	-180	-59.9	-27.7	0	0	0	109.7	K355 F356 N360 A361 E362	K355-D358 PolarHBondContact O-N 3.16Å; F356-D358 VanDerWaalsContact C-N 3.26Å; F356-D358 PolarHBondContact O-N 2.92Å; D358-N360 VanDerWaalsContact C-N 3.33Å; D358-N360 PolarHBondContact O-N 3.2Å; D358-A361 PolarHBondContact O-N 3.2Å; D358-E362 WeakPolarHBondContact O-CG 3.41Å; D358-E362 PolarHBondContact O-N 3.01Å
359	I	96.2	Very high	96.1	Very high	1 Å²	1	74.6 Å²	74.6	1%	0.005	36%	0.361	C	S	.	.	H	α-helix	trans	-59.9	-42.2	176.4	-60.7	-56.6	0	0	0	111.8	Y339 V354 K355 F356 E362 L363 I392 F399 E403	Y339-I359 HydrophobicContact CD2-CG2 4.19Å; Y339-I359 HydrophobicContact CE2-CB 4.25Å; Y339-I359 HydrophobicContact CE2-CG1 3.8Å; Y339-I359 HydrophobicContact CE2-CG2 4.2Å; V354-I359 HydrophobicContact CB-CG1 4.4Å; V354-I359 HydrophobicContact CG1-CD1 3.78Å; V354-I359 HydrophobicContact CG1-CG1 3.81Å; K355-I359 PolarHBondContact O-N 2.93Å; F356-I359 PolarHBondContact O-N 3.26Å; I359-E362 PolarHBondContact O-N 2.95Å; I359-L363 HydrophobicContact CG2-CD1 3.92Å; I359-L363 HydrophobicContact CG2-CG 4.28Å; I359-L363 VanDerWaalsContact O-CG 3.25Å; I359-L363 WeakPolarHBondContact O-CG 3.4Å; I359-L363 PolarHBondContact O-N 3.09Å; I359-I392 HydrophobicContact CG2-CG2 4.43Å; I359-F399 HydrophobicContact CD1-CE2 3.64Å; I359-F399 HydrophobicContact CD1-CZ 3.95Å; I359-F399 HydrophobicContact CG1-CE2 3.97Å; I359-F399 HydrophobicContact CG1-CZ 4.35Å; I359-E403 WeakPolarHBondContact CD1-OE1 3.34Å
360	N	97.9	Very high	96.3	Very high	26 Å²	26	73.7 Å²	73.7	14%	0.139	37%	0.372	C	S	.	.	H	α-helix	trans	-62.1	-46.8	178.4	179.6	84.4	0	0	0	110.8	S332 F356 D358 E362 L363 F364	S332-N360 WeakPolarHBondContact CB-OD1 3.34Å; S332-N360 PolarHBondContact OG-ND2 2.77Å; S332-N360 PolarHBondContact OG-OD1 3.23Å; F356-N360 HydrophobicContact CD1-CB 4.47Å; F356-N360 HydrophobicContact CD2-CB 4.43Å; F356-N360 HydrophobicContact CE1-CB 3.97Å; F356-N360 HydrophobicContact CE2-CB 3.93Å; F356-N360 HydrophobicContact CZ-CB 3.67Å; F356-N360 WeakPolarHBondContact O-CB 3.32Å; F356-N360 PolarHBondContact O-N 2.81Å; D358-N360 VanDerWaalsContact C-N 3.33Å; D358-N360 PolarHBondContact O-N 3.2Å; N360-E362 VanDerWaalsContact C-N 3.33Å; N360-E362 PolarHBondContact O-N 3.05Å; N360-L363 PolarHBondContact O-N 3.33Å; N360-F364 VanDerWaalsContact O-CD2 3.3Å; N360-F364 WeakPolarHBondContact O-CD2 3.5Å; N360-F364 PolarHBondContact O-N 2.96Å; N360-F364 VanDerWaalsContact O-N 3.11Å; N360-F364 WeakPolarHBondContact OD1-CE2 3.41Å
361	A	97.4	Very high	96.5	Very high	47 Å²	47	69.8 Å²	69.8	39%	0.388	35%	0.354	S	S	.	.	H	α-helix	trans	-58.6	-45.5	176.2	0	0	0	0	0	111.5	E357 D358 L363 F364 D365	E357-A361 WeakPolarHBondContact O-CB 3.29Å; E357-A361 PolarHBondContact O-N 3.2Å; D358-A361 PolarHBondContact O-N 3.2Å; A361-L363 PolarHBondContact O-N 3.47Å; A361-F364 PolarHBondContact O-N 2.95Å; A361-D365 WeakPolarHBondContact O-CB 3.42Å; A361-D365 PolarHBondContact O-N 3.18Å
362	E	96.9	Very high	96.6	Very high	63 Å²	63	69.3 Å²	69.3	29%	0.294	37%	0.367	S	S	.	.	H	α-helix	trans	-62.4	-40.7	178.9	-71.7	-172.8	-149.2	0	0	113.4	D358 I359 N360 D365 M366 Y402 R405	D358-E362 WeakPolarHBondContact O-CG 3.41Å; D358-E362 PolarHBondContact O-N 3.01Å; I359-E362 PolarHBondContact O-N 2.95Å; N360-E362 VanDerWaalsContact C-N 3.33Å; N360-E362 PolarHBondContact O-N 3.05Å; E362-D365 PolarHBondContact O-N 2.87Å; E362-M366 WeakPolarHBondContact O-CB 3.47Å; E362-M366 PolarHBondContact O-N 3.31Å; E362-Y402 WeakPolarHBondContact OE2-CE1 3.17Å; E362-Y402 PolarHBondContact OE2-OH 2.91Å; E362-R405 IonicContact OE2-CZ 3.99Å; E362-R405 IonicContact OE2-NH2 3.7Å; E362-R405 PolarHBondContact OE2-NH2 3.39Å
363	L	98.1	Very high	96.8	Very high	1 Å²	1	65.8 Å²	65.8	1%	0.005	35%	0.35	C	S	.	.	H	α-helix	trans	-65	-41.2	176.7	-69.1	171	0	0	0	111.8	L335 I359 N360 A361 M366 I367 F389 I392 L393	L335-L363 HydrophobicContact CD1-CB 4.44Å; L335-L363 HydrophobicContact CD1-CD1 4.14Å; I359-L363 HydrophobicContact CG2-CD1 3.92Å; I359-L363 HydrophobicContact CG2-CG 4.28Å; I359-L363 VanDerWaalsContact O-CG 3.25Å; I359-L363 WeakPolarHBondContact O-CG 3.4Å; I359-L363 PolarHBondContact O-N 3.09Å; N360-L363 PolarHBondContact O-N 3.33Å; A361-L363 PolarHBondContact O-N 3.47Å; L363-M366 HydrophobicContact CD2-CE 4.45Å; L363-M366 PolarHBondContact O-N 2.74Å; L363-I367 WeakPolarHBondContact O-CG1 3.42Å; L363-I367 PolarHBondContact O-N 3Å; L363-F389 HydrophobicContact CB-CD2 4.32Å; L363-F389 HydrophobicContact CB-CE2 4.2Å; L363-F389 HydrophobicContact CD1-CE2 4.49Å; L363-F389 HydrophobicContact CD2-CD2 3.71Å; L363-F389 HydrophobicContact CD2-CE2 4.17Å; L363-F389 HydrophobicContact CD2-CG 4.47Å; L363-F389 HydrophobicContact CG-CD2 4.48Å; L363-I392 HydrophobicContact CD2-CD1 3.95Å; L363-I392 HydrophobicContact CD2-CG2 4.27Å; L363-L393 HydrophobicContact CD1-CD1 3.96Å; L363-L393 HydrophobicContact CD1-CD2 3.96Å; L363-L393 HydrophobicContact CD1-CG 4.12Å
364	F	98.3	Very high	97	Very high	23 Å²	23	64.7 Å²	64.7	10%	0.101	34%	0.344	C	S	.	.	H	α-helix	trans	-67.9	-40.3	176.1	-86.8	-79.8	0	0	0	112.1	L335 N360 A361 M366 I367 R368 P369 S372 I375	L335-F364 HydrophobicContact CD1-CD2 4.32Å; L335-F364 HydrophobicContact CD1-CE2 3.77Å; L335-F364 HydrophobicContact CD1-CZ 4.44Å; N360-F364 VanDerWaalsContact O-CD2 3.3Å; N360-F364 WeakPolarHBondContact O-CD2 3.5Å; N360-F364 PolarHBondContact O-N 2.96Å; N360-F364 VanDerWaalsContact O-N 3.11Å; N360-F364 WeakPolarHBondContact OD1-CE2 3.41Å; A361-F364 PolarHBondContact O-N 2.95Å; F364-M366 VanDerWaalsContact C-N 3.32Å; F364-M366 PolarHBondContact O-N 3.48Å; F364-I367 PolarHBondContact O-N 3.02Å; F364-R368 WeakPolarHBondContact O-CA 3.42Å; F364-R368 PolarHBondContact O-N 2.95Å; F364-P369 HydrophobicContact CD1-CG 3.79Å; F364-P369 HydrophobicContact CE1-CG 4.11Å; F364-S372 VanDerWaalsContact CD1-O 3.26Å; F364-S372 WeakPolarHBondContact CD1-O 3.49Å; F364-S372 WeakPolarHBondContact CE1-O 3.31Å; F364-I375 HydrophobicContact CD1-CD1 4.08Å; F364-I375 HydrophobicContact CD1-CG1 4.05Å; F364-I375 HydrophobicContact CE1-CD1 4Å; F364-I375 HydrophobicContact CE1-CG1 3.76Å; F364-I375 HydrophobicContact CG-CD1 4.39Å; F364-I375 HydrophobicContact CZ-CD1 4.24Å; F364-I375 HydrophobicContact CZ-CG1 4.32Å
365	D	97.2	Very high	97.3	Very high	119 Å²	119	63.2 Å²	63.2	64%	0.636	34%	0.336	S	S	*	.	H	α-helix	trans	-68.2	-31.4	176.4	-78.8	-13.5	0	0	0	112.9	A361 E362 R368	A361-D365 WeakPolarHBondContact O-CB 3.42Å; A361-D365 PolarHBondContact O-N 3.18Å; E362-D365 PolarHBondContact O-N 2.87Å; D365-R368 WeakPolarHBondContact O-CG 3.3Å; D365-R368 PolarHBondContact O-NE 3.08Å
366	M	97	Very high	97.5	Very high	33 Å²	33	58.3 Å²	58.3	16%	0.163	32%	0.317	C	S	.	.	H	α-helix	trans	-68.9	-48	174.7	-178.7	-169.1	-53.5	0	0	111.6	E362 L363 F364 C385 L388 F389 I392 Y402	E362-M366 WeakPolarHBondContact O-CB 3.47Å; E362-M366 PolarHBondContact O-N 3.31Å; L363-M366 HydrophobicContact CD2-CE 4.45Å; L363-M366 PolarHBondContact O-N 2.74Å; F364-M366 VanDerWaalsContact C-N 3.32Å; F364-M366 PolarHBondContact O-N 3.48Å; M366-C385 HydrophobicContact CG-CB 3.75Å; M366-C385 HydrophobicContact SD-CB 3.85Å; M366-L388 HydrophobicContact CE-CD2 3.87Å; M366-L388 HydrophobicContact CE-CG 4.24Å; M366-L388 HydrophobicContact SD-CB 4.38Å; M366-L388 HydrophobicContact SD-CD2 4.03Å; M366-L388 HydrophobicContact SD-CG 4.28Å; M366-F389 HydrophobicContact SD-CB 4.44Å; M366-I392 HydrophobicContact CE-CD1 3.81Å; M366-Y402 HydrophobicContact CE-CD2 4.46Å; M366-Y402 HydrophobicContact CE-CE2 3.43Å; M366-Y402 VanDerWaalsContact CE-CE2 3.43Å; M366-Y402 WeakPolarHBondContact CE-OH 3.25Å
367	I	98.1	Very high	97.5	Very high	6 Å²	6	57.9 Å²	57.9	3%	0.031	32%	0.318	C	S	.	.	H	α-helix	trans	-83.3	-30.6	-174.4	-60.3	-52.1	0	0	0	112.5	L363 F364 I375 D379 L380 S383 C385 F389	L363-I367 WeakPolarHBondContact O-CG1 3.42Å; L363-I367 PolarHBondContact O-N 3Å; F364-I367 PolarHBondContact O-N 3.02Å; I367-I375 HydrophobicContact CB-CD1 4.21Å; I367-I375 HydrophobicContact CB-CG1 4.34Å; I367-I375 HydrophobicContact CG1-CD1 4.23Å; I367-I375 HydrophobicContact CG2-CD1 4.49Å; I367-I375 HydrophobicContact CG2-CG1 4.16Å; I367-I375 HydrophobicContact CG2-CG2 3.85Å; I367-D379 HydrophobicContact CG2-CB 3.78Å; I367-L380 HydrophobicContact CD1-CD2 3.64Å; I367-L380 HydrophobicContact CG1-CD2 3.94Å; I367-L380 HydrophobicContact CG2-CD2 4.3Å; I367-S383 WeakPolarHBondContact CD1-OG 3.47Å; I367-C385 HydrophobicContact CD1-CB 4.2Å; I367-F389 HydrophobicContact CD1-CB 4.05Å; I367-F389 HydrophobicContact CD1-CD2 4.1Å; I367-F389 HydrophobicContact CD1-CG 4.28Å; I367-F389 HydrophobicContact CG1-CD2 3.68Å; I367-F389 HydrophobicContact CG1-CE2 4.24Å; I367-F389 HydrophobicContact CG1-CG 4.33Å
368	R	97.1	Very high	97.5	Very high	208 Å²	208	57.1 Å²	57.1	79%	0.785	32%	0.318	S	S	*	.			trans	48.8	59.3	-177.9	-56.3	-175.4	178.5	174.5	-3.2	112.3	F364 D365	F364-R368 WeakPolarHBondContact O-CA 3.42Å; F364-R368 PolarHBondContact O-N 2.95Å; D365-R368 WeakPolarHBondContact O-CG 3.3Å; D365-R368 PolarHBondContact O-NE 3.08Å
369	P	98	Very high	97.6	Very high	19 Å²	19	53.7 Å²	53.7	12%	0.123	30%	0.3	C	S	.	.			trans	-61.6	152.1	-175.8	27.6	-35.3	0	0	0	112	F364 V371 Q374 I375 D379	F364-P369 HydrophobicContact CD1-CG 3.79Å; F364-P369 HydrophobicContact CE1-CG 4.11Å; P369-V371 WeakPolarHBondContact CB-O 3.32Å; P369-V371 VanDerWaalsContact CG-O 3.29Å; P369-V371 WeakPolarHBondContact CG-O 3.31Å; P369-V371 PolarHBondContact O-N 3.33Å; P369-Q374 WeakPolarHBondContact CB-O 3.44Å; P369-I375 HydrophobicContact CB-CG1 4.19Å; P369-I375 HydrophobicContact CG-CG1 4Å; P369-D379 HydrophobicContact CB-CB 4.26Å
370	A	97.9	Very high	97.7	Very high	88 Å²	88	53.6 Å²	53.6	73%	0.727	30%	0.299	S	S	*	.	S	Bend	trans	-61.5	-28.2	177.3	0	0	0	0	0	113	D379	A370-D379 PolarHBondContact N-OD1 2.98Å; A370-D379 VanDerWaalsContact N-OD1 3.15Å
371	V	97.8	Very high	97.7	Very high	69 Å²	69	55.1 Å²	55.1	42%	0.418	30%	0.304	S	S	.	.	B	Isolated β-bridge	trans	-114.3	123.3	172.3	177.9	0	0	0	0	107.5	P369 D373 Q374	P369-V371 WeakPolarHBondContact CB-O 3.32Å; P369-V371 VanDerWaalsContact CG-O 3.29Å; P369-V371 WeakPolarHBondContact CG-O 3.31Å; P369-V371 PolarHBondContact O-N 3.33Å; V371-D373 WeakPolarHBondContact CG1-OD1 3.36Å; V371-D373 PolarHBondContact O-N 3.31Å; V371-Q374 HydrophobicContact CB-CB 4.11Å; V371-Q374 HydrophobicContact CG1-CB 4.07Å; V371-Q374 HydrophobicContact CG1-CG 4.02Å; V371-Q374 PolarHBondContact O-N 2.9Å
372	S	95.7	Very high	97.7	Very high	107 Å²	107	61.8 Å²	61.8	75%	0.748	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-25.1	-163.6	52.1	0	0	0	0	116	F364	F364-S372 VanDerWaalsContact CD1-O 3.26Å; F364-S372 WeakPolarHBondContact CD1-O 3.49Å; F364-S372 WeakPolarHBondContact CE1-O 3.31Å
373	D	97	Very high	97.6	Very high	86 Å²	86	60.2 Å²	60.2	46%	0.46	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.3	10.7	-176.4	65.2	-33.6	0	0	0	113.4	V371	V371-D373 WeakPolarHBondContact CG1-OD1 3.36Å; V371-D373 PolarHBondContact O-N 3.31Å
374	Q	98.1	Very high	97.3	Very high	54 Å²	54	66.5 Å²	66.5	25%	0.252	35%	0.349	S	S	.	.	B	Isolated β-bridge	trans	-138.1	103.7	-172.7	-61.7	179.4	19.4	0	0	111.6	Y329 P369 V371	Y329-Q374 HydrophobicContact CD1-CG 4.45Å; Y329-Q374 HydrophobicContact CD2-CB 3.82Å; Y329-Q374 HydrophobicContact CD2-CG 3.53Å; Y329-Q374 HydrophobicContact CE2-CG 3.77Å; Y329-Q374 HydrophobicContact CG-CB 3.88Å; Y329-Q374 HydrophobicContact CG-CG 3.9Å; P369-Q374 WeakPolarHBondContact CB-O 3.44Å; V371-Q374 HydrophobicContact CB-CB 4.11Å; V371-Q374 HydrophobicContact CG1-CB 4.07Å; V371-Q374 HydrophobicContact CG1-CG 4.02Å; V371-Q374 PolarHBondContact O-N 2.9Å
375	I	98.6	Very high	97.3	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-85.4	115	173.8	-66.6	169.3	0	0	0	109.4	Y329 L330 L335 F364 I367 P369 L380 F389	Y329-I375 CarbonylContact C-O 3.56Å; Y329-I375 VanDerWaalsContact CA-O 3.31Å; Y329-I375 WeakPolarHBondContact CA-O 3.33Å; L330-I375 HydrophobicContact CB-CB 4.25Å; L330-I375 PolarHBondContact N-O 2.92Å; L330-I375 PolarHBondContact O-N 3.05Å; L335-I375 HydrophobicContact CD1-CD1 4.44Å; F364-I375 HydrophobicContact CD1-CD1 4.08Å; F364-I375 HydrophobicContact CD1-CG1 4.05Å; F364-I375 HydrophobicContact CE1-CD1 4Å; F364-I375 HydrophobicContact CE1-CG1 3.76Å; F364-I375 HydrophobicContact CG-CD1 4.39Å; F364-I375 HydrophobicContact CZ-CD1 4.24Å; F364-I375 HydrophobicContact CZ-CG1 4.32Å; I367-I375 HydrophobicContact CB-CD1 4.21Å; I367-I375 HydrophobicContact CB-CG1 4.34Å; I367-I375 HydrophobicContact CG1-CD1 4.23Å; I367-I375 HydrophobicContact CG2-CD1 4.49Å; I367-I375 HydrophobicContact CG2-CG1 4.16Å; I367-I375 HydrophobicContact CG2-CG2 3.85Å; P369-I375 HydrophobicContact CB-CG1 4.19Å; P369-I375 HydrophobicContact CG-CG1 4Å; I375-L380 HydrophobicContact CG2-CD1 4.28Å; I375-L380 HydrophobicContact CG2-CD2 3.86Å; I375-L380 HydrophobicContact CG2-CG 3.78Å; I375-F389 HydrophobicContact CD1-CE2 3.71Å; I375-F389 HydrophobicContact CD1-CZ 4.28Å
376	T	98.5	Very high	97.3	Very high	38 Å²	38	61.8 Å²	61.8	23%	0.233	33%	0.328	C	S	.	.			trans	-96.6	164	175.1	71.2	0	0	0	0	112.1	L378 D379 L380	T376-L378 PolarHBondContact O-N 3.32Å; T376-L378 PolarHBondContact OG1-N 2.79Å; T376-D379 WeakPolarHBondContact CB-OD2 3.48Å; T376-D379 PolarHBondContact N-OD2 3.35Å; T376-D379 PolarHBondContact O-N 3.37Å; T376-D379 VanDerWaalsContact OG1-CG 3.25Å; T376-D379 PolarHBondContact OG1-N 3.13Å; T376-D379 PolarHBondContact OG1-OD2 3.48Å; T376-L380 PolarHBondContact O-N 3.31Å; T376-L380 VanDerWaalsContact O-N 3.11Å
377	A	97.4	Very high	97.3	Very high	17 Å²	17	60.2 Å²	60.2	14%	0.14	32%	0.321	C	S	.	.	H	α-helix	trans	-57.8	-28.7	171	0	0	0	0	0	112.8	F319 K381	F319-A377 HydrophobicContact CB-CB 4.21Å; F319-A377 HydrophobicContact CD1-CB 3.96Å; F319-A377 HydrophobicContact CD2-CB 3.91Å; F319-A377 HydrophobicContact CE1-CB 4.3Å; F319-A377 HydrophobicContact CE2-CB 4.22Å; F319-A377 HydrophobicContact CG-CB 3.74Å; F319-A377 HydrophobicContact CZ-CB 4.4Å; A377-K381 VanDerWaalsContact O-CG 3.27Å; A377-K381 WeakPolarHBondContact O-CG 3.43Å; A377-K381 PolarHBondContact O-N 2.76Å
378	L	97.8	Very high	97.3	Very high	111 Å²	111	63.4 Å²	63.4	58%	0.581	34%	0.337	S	S	*	.	H	α-helix	trans	-72	-36.9	175	-72.6	175.1	0	0	0	112	T376 K381 R382	T376-L378 PolarHBondContact O-N 3.32Å; T376-L378 PolarHBondContact OG1-N 2.79Å; L378-K381 PolarHBondContact O-N 2.97Å; L378-R382 WeakPolarHBondContact O-CB 3.48Å; L378-R382 VanDerWaalsContact O-CG 3.27Å; L378-R382 WeakPolarHBondContact O-CG 3.22Å; L378-R382 PolarHBondContact O-N 3.41Å; L378-R382 VanDerWaalsContact O-N 3.1Å
379	D	98.6	Very high	97.3	Very high	11 Å²	11	53.5 Å²	53.5	6%	0.059	30%	0.3	C	S	.	.	H	α-helix	trans	-66	-45.4	176.8	-58.7	-55.4	0	0	0	110.6	I367 P369 A370 T376 K381 R382 S383	I367-D379 HydrophobicContact CG2-CB 3.78Å; P369-D379 HydrophobicContact CB-CB 4.26Å; A370-D379 PolarHBondContact N-OD1 2.98Å; A370-D379 VanDerWaalsContact N-OD1 3.15Å; T376-D379 WeakPolarHBondContact CB-OD2 3.48Å; T376-D379 PolarHBondContact N-OD2 3.35Å; T376-D379 PolarHBondContact O-N 3.37Å; T376-D379 VanDerWaalsContact OG1-CG 3.25Å; T376-D379 PolarHBondContact OG1-N 3.13Å; T376-D379 PolarHBondContact OG1-OD2 3.48Å; D379-K381 VanDerWaalsContact C-N 3.32Å; D379-K381 PolarHBondContact O-N 3.4Å; D379-R382 PolarHBondContact O-N 2.75Å; D379-R382 VanDerWaalsContact O-N 3.09Å; D379-S383 PolarHBondContact O-N 3.44Å
380	L	98.3	Very high	97.3	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-57.1	-42.9	176	-68.9	170.9	0	0	0	112.6	V315 F319 I367 I375 T376 R382 S383 A386 F389 F390	V315-L380 HydrophobicContact CG1-CB 3.85Å; V315-L380 HydrophobicContact CG1-CD1 4.29Å; F319-L380 HydrophobicContact CD2-CD1 3.67Å; F319-L380 HydrophobicContact CE2-CD1 4.31Å; I367-L380 HydrophobicContact CD1-CD2 3.64Å; I367-L380 HydrophobicContact CG1-CD2 3.94Å; I367-L380 HydrophobicContact CG2-CD2 4.3Å; I375-L380 HydrophobicContact CG2-CD1 4.28Å; I375-L380 HydrophobicContact CG2-CD2 3.86Å; I375-L380 HydrophobicContact CG2-CG 3.78Å; T376-L380 PolarHBondContact O-N 3.31Å; T376-L380 VanDerWaalsContact O-N 3.11Å; L380-R382 VanDerWaalsContact C-N 3.33Å; L380-R382 PolarHBondContact O-N 2.96Å; L380-S383 PolarHBondContact O-OG 3.14Å; L380-A386 HydrophobicContact CB-CB 4Å; L380-F389 HydrophobicContact CD2-CB 4.2Å; L380-F389 HydrophobicContact CD2-CD1 3.64Å; L380-F389 HydrophobicContact CD2-CD2 4.17Å; L380-F389 HydrophobicContact CD2-CE1 4.03Å; L380-F389 HydrophobicContact CD2-CG 3.73Å; L380-F389 HydrophobicContact CD2-CZ 4.44Å; L380-F390 HydrophobicContact CD1-CE1 4.04Å; L380-F390 HydrophobicContact CD1-CZ 3.69Å
381	K	97	Very high	97.3	Very high	57 Å²	57	50.5 Å²	50.5	25%	0.248	27%	0.27	C	S	.	.	H	α-helix	trans	-69.1	-31	177.3	-69.3	173	-166	-169.1	0	113.1	P312 V315 N316 A377 L378 D379	P312-K381 HydrophobicContact CB-CD 4.09Å; P312-K381 VanDerWaalsContact O-CE 3.25Å; P312-K381 WeakPolarHBondContact O-CE 3.38Å; P312-K381 PolarHBondContact O-NZ 2.79Å; P312-K381 VanDerWaalsContact O-NZ 3.1Å; V315-K381 HydrophobicContact CB-CG 4.16Å; V315-K381 HydrophobicContact CG1-CG 3.87Å; V315-K381 HydrophobicContact CG2-CG 4.4Å; N316-K381 PolarHBondContact ND2-NZ 3.47Å; N316-K381 WeakPolarHBondContact OD1-CE 3.32Å; N316-K381 PolarHBondContact OD1-NZ 3.2Å; A377-K381 VanDerWaalsContact O-CG 3.27Å; A377-K381 WeakPolarHBondContact O-CG 3.43Å; A377-K381 PolarHBondContact O-N 2.76Å; L378-K381 PolarHBondContact O-N 2.97Å; D379-K381 VanDerWaalsContact C-N 3.32Å; D379-K381 PolarHBondContact O-N 3.4Å
382	R	97.3	Very high	97.3	Very high	188 Å²	188	47.2 Å²	47.2	71%	0.709	25%	0.25	S	S	*	.	H	α-helix	trans	-79.5	-31.1	-180	-76.6	173.7	175.1	-174.7	-0.2	112.5	L378 D379 L380 N384	L378-R382 WeakPolarHBondContact O-CB 3.48Å; L378-R382 VanDerWaalsContact O-CG 3.27Å; L378-R382 WeakPolarHBondContact O-CG 3.22Å; L378-R382 PolarHBondContact O-N 3.41Å; L378-R382 VanDerWaalsContact O-N 3.1Å; D379-R382 PolarHBondContact O-N 2.75Å; D379-R382 VanDerWaalsContact O-N 3.09Å; L380-R382 VanDerWaalsContact C-N 3.33Å; L380-R382 PolarHBondContact O-N 2.96Å; R382-N384 VanDerWaalsContact C-N 3.29Å; R382-N384 PolarHBondContact O-N 2.9Å
383	S	95.9	Very high	97.4	Very high	29 Å²	29	42.1 Å²	42.1	20%	0.203	22%	0.215	C	C	.	.	H	α-helix	trans	-72.2	-22.6	-178.1	70.1	0	0	0	0	113.1	I367 D379 L380 C385	I367-S383 WeakPolarHBondContact CD1-OG 3.47Å; D379-S383 PolarHBondContact O-N 3.44Å; L380-S383 PolarHBondContact O-OG 3.14Å; S383-C385 PolarHBondContact O-N 2.95Å; S383-C385 PolarHBondContact O-SG 2.72Å; S383-C385 PolarHBondContact OG-N 2.8Å; S383-C385 VanDerWaalsContact OG-N 3.14Å
384	N	92.6	Very high	97.5	Very high	134 Å²	134	38 Å²	38	72%	0.717	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	20.3	-167.6	-62.1	-32.1	0	0	0	113.5	R382	R382-N384 VanDerWaalsContact C-N 3.29Å; R382-N384 PolarHBondContact O-N 2.9Å
385	C	96.4	Very high	97.4	Very high	41 Å²	41	36.6 Å²	36.6	28%	0.277	19%	0.186	S	C	.	.			trans	-118	15	178.6	-60.9	0	0	0	0	112.3	M366 I367 S383 G387 L388 F389	M366-C385 HydrophobicContact CG-CB 3.75Å; M366-C385 HydrophobicContact SD-CB 3.85Å; I367-C385 HydrophobicContact CD1-CB 4.2Å; S383-C385 PolarHBondContact O-N 2.95Å; S383-C385 PolarHBondContact O-SG 2.72Å; S383-C385 PolarHBondContact OG-N 2.8Å; S383-C385 VanDerWaalsContact OG-N 3.14Å; C385-G387 VanDerWaalsContact C-N 3.33Å; C385-G387 PolarHBondContact O-N 3.47Å; C385-L388 PolarHBondContact O-N 2.94Å; C385-F389 WeakPolarHBondContact O-CB 3.33Å; C385-F389 PolarHBondContact O-N 3.27Å
386	A	97.8	Very high	97.4	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.008	19%	0.188	C	C	.	.	H	α-helix	trans	-58.4	-44.3	-176.8	0	0	0	0	0	112.2	V315 L380 L388 F389 F390	V315-A386 HydrophobicContact CG1-CB 4.35Å; V315-A386 HydrophobicContact CG2-CB 3.53Å; L380-A386 HydrophobicContact CB-CB 4Å; A386-L388 PolarHBondContact O-N 3.22Å; A386-F389 WeakPolarHBondContact O-CB 3.45Å; A386-F389 PolarHBondContact O-N 2.99Å; A386-F390 HydrophobicContact CB-CD2 4.36Å; A386-F390 HydrophobicContact CB-CE2 3.97Å; A386-F390 WeakPolarHBondContact O-CD2 3.36Å; A386-F390 WeakPolarHBondContact O-CG 3.35Å; A386-F390 PolarHBondContact O-N 2.94Å
387	G	97.4	Very high	97.3	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-60	-46.3	178.5	0	0	0	0	0	113	N309 N310 C385 F390 N391	N309-G387 WeakPolarHBondContact ND2-CA 3.33Å; N309-G387 WeakPolarHBondContact OD1-CA 3.28Å; N310-G387 PolarHBondContact OD1-N 3.45Å; C385-G387 VanDerWaalsContact C-N 3.33Å; C385-G387 PolarHBondContact O-N 3.47Å; G387-F390 PolarHBondContact O-N 3.21Å; G387-N391 WeakPolarHBondContact O-CB 3.27Å; G387-N391 PolarHBondContact O-N 3.26Å; G387-N391 PolarHBondContact O-OD1 3.23Å
388	L	97	Very high	97.2	Very high	72 Å²	72	39.2 Å²	39.2	38%	0.377	20%	0.195	S	C	.	.	H	α-helix	trans	-62.6	-45.5	176.8	-172.4	62.5	0	0	0	111.4	M366 C385 A386 F390 N391 I392 Y402	M366-L388 HydrophobicContact CE-CD2 3.87Å; M366-L388 HydrophobicContact CE-CG 4.24Å; M366-L388 HydrophobicContact SD-CB 4.38Å; M366-L388 HydrophobicContact SD-CD2 4.03Å; M366-L388 HydrophobicContact SD-CG 4.28Å; C385-L388 PolarHBondContact O-N 2.94Å; A386-L388 PolarHBondContact O-N 3.22Å; L388-F390 PolarHBondContact O-N 3.4Å; L388-N391 PolarHBondContact O-N 2.99Å; L388-I392 HydrophobicContact CD1-CD1 4.49Å; L388-I392 HydrophobicContact CG-CD1 4.06Å; L388-I392 WeakPolarHBondContact O-CD1 3.42Å; L388-I392 VanDerWaalsContact O-CG1 3.24Å; L388-I392 WeakPolarHBondContact O-CG1 3.36Å; L388-I392 PolarHBondContact O-N 3.32Å; L388-Y402 HydrophobicContact CD1-CD2 3.96Å; L388-Y402 HydrophobicContact CD2-CD2 3.91Å; L388-Y402 HydrophobicContact CD2-CE2 3.86Å; L388-Y402 HydrophobicContact CG-CD2 4.06Å; L388-Y402 HydrophobicContact CG-CE2 4.32Å
389	F	98.5	Very high	97.2	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-56.1	-47.3	176.3	172.7	-84.3	0	0	0	112.2	L330 L335 L363 M366 I367 I375 L380 C385 A386 L393	L330-F389 HydrophobicContact CD1-CE1 3.76Å; L330-F389 HydrophobicContact CD1-CZ 3.71Å; L335-F389 HydrophobicContact CD2-CE2 4.15Å; L335-F389 HydrophobicContact CD2-CZ 3.63Å; L363-F389 HydrophobicContact CB-CD2 4.32Å; L363-F389 HydrophobicContact CB-CE2 4.2Å; L363-F389 HydrophobicContact CD1-CE2 4.49Å; L363-F389 HydrophobicContact CD2-CD2 3.71Å; L363-F389 HydrophobicContact CD2-CE2 4.17Å; L363-F389 HydrophobicContact CD2-CG 4.47Å; L363-F389 HydrophobicContact CG-CD2 4.48Å; M366-F389 HydrophobicContact SD-CB 4.44Å; I367-F389 HydrophobicContact CD1-CB 4.05Å; I367-F389 HydrophobicContact CD1-CD2 4.1Å; I367-F389 HydrophobicContact CD1-CG 4.28Å; I367-F389 HydrophobicContact CG1-CD2 3.68Å; I367-F389 HydrophobicContact CG1-CE2 4.24Å; I367-F389 HydrophobicContact CG1-CG 4.33Å; I375-F389 HydrophobicContact CD1-CE2 3.71Å; I375-F389 HydrophobicContact CD1-CZ 4.28Å; L380-F389 HydrophobicContact CD2-CB 4.2Å; L380-F389 HydrophobicContact CD2-CD1 3.64Å; L380-F389 HydrophobicContact CD2-CD2 4.17Å; L380-F389 HydrophobicContact CD2-CE1 4.03Å; L380-F389 HydrophobicContact CD2-CG 3.73Å; L380-F389 HydrophobicContact CD2-CZ 4.44Å; C385-F389 WeakPolarHBondContact O-CB 3.33Å; C385-F389 PolarHBondContact O-N 3.27Å; A386-F389 WeakPolarHBondContact O-CB 3.45Å; A386-F389 PolarHBondContact O-N 2.99Å; F389-L393 HydrophobicContact CE1-CD1 4.14Å; F389-L393 HydrophobicContact CE2-CD1 4.33Å; F389-L393 HydrophobicContact CZ-CD1 3.95Å
390	F	98.4	Very high	97	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.009	17%	0.172	C	C	.	.	H	α-helix	trans	-68.2	-40	178.3	-65	-50.2	0	0	0	112.1	V315 L318 F322 L380 A386 G387 L388 I392 L393 S394	V315-F390 HydrophobicContact CB-CE2 4.34Å; V315-F390 HydrophobicContact CG1-CE2 4.19Å; V315-F390 HydrophobicContact CG1-CZ 4.19Å; V315-F390 HydrophobicContact CG2-CE2 4.23Å; L318-F390 HydrophobicContact CB-CD1 4.01Å; L318-F390 HydrophobicContact CB-CD2 3.96Å; L318-F390 HydrophobicContact CB-CE1 3.77Å; L318-F390 HydrophobicContact CB-CE2 3.73Å; L318-F390 HydrophobicContact CB-CG 4.09Å; L318-F390 HydrophobicContact CB-CZ 3.61Å; L318-F390 HydrophobicContact CD1-CB 4.2Å; L318-F390 HydrophobicContact CD1-CD2 3.41Å; L318-F390 VanDerWaalsContact CD1-CD2 3.41Å; L318-F390 HydrophobicContact CD1-CE2 3.83Å; L318-F390 HydrophobicContact CD1-CG 3.85Å; L318-F390 HydrophobicContact CG-CD2 4.33Å; L318-F390 HydrophobicContact CG-CE2 4.43Å; F322-F390 AromaticContact CD2-CD1 3.53Å; F322-F390 HydrophobicContact CD2-CD1 3.53Å; F322-F390 AromaticContact CD2-CE1 3.74Å; F322-F390 HydrophobicContact CD2-CE1 3.74Å; F322-F390 HydrophobicContact CE2-CB 4.34Å; F322-F390 AromaticContact CE2-CD1 3.43Å; F322-F390 HydrophobicContact CE2-CD1 3.43Å; F322-F390 VanDerWaalsContact CE2-CD1 3.43Å; F322-F390 HydrophobicContact CE2-CE1 4.13Å; F322-F390 HydrophobicContact CE2-CG 4.26Å; F322-F390 HydrophobicContact CG-CD1 4.33Å; F322-F390 HydrophobicContact CG-CE1 4.38Å; F322-F390 HydrophobicContact CZ-CD1 4.16Å; L380-F390 HydrophobicContact CD1-CE1 4.04Å; L380-F390 HydrophobicContact CD1-CZ 3.69Å; A386-F390 HydrophobicContact CB-CD2 4.36Å; A386-F390 HydrophobicContact CB-CE2 3.97Å; A386-F390 WeakPolarHBondContact O-CD2 3.36Å; A386-F390 WeakPolarHBondContact O-CG 3.35Å; A386-F390 PolarHBondContact O-N 2.94Å; G387-F390 PolarHBondContact O-N 3.21Å; L388-F390 PolarHBondContact O-N 3.4Å; F390-I392 PolarHBondContact O-N 2.99Å; F390-L393 PolarHBondContact O-N 2.98Å; F390-S394 VanDerWaalsContact O-CB 3.25Å; F390-S394 WeakPolarHBondContact O-CB 3.15Å; F390-S394 PolarHBondContact O-N 3.42Å; F390-S394 PolarHBondContact O-OG 3.28Å
391	N	97.6	Very high	96.8	Very high	42 Å²	42	38.5 Å²	38.5	23%	0.225	20%	0.197	C	C	.	.	H	α-helix	trans	-62.4	-44.2	-179.1	-74	1	0	0	0	112.1	N309 G387 L388 L393 S394 H395	N309-N391 PolarHBondContact ND2-OD1 3.36Å; N309-N391 VanDerWaalsContact ND2-OD1 3.14Å; G387-N391 WeakPolarHBondContact O-CB 3.27Å; G387-N391 PolarHBondContact O-N 3.26Å; G387-N391 PolarHBondContact O-OD1 3.23Å; L388-N391 PolarHBondContact O-N 2.99Å; N391-L393 PolarHBondContact O-N 3.06Å; N391-S394 PolarHBondContact O-N 2.61Å; N391-S394 PolarHBondContact O-OG 3.13Å; N391-H395 PolarHBondContact O-N 3.02Å; N391-H395 PolarHBondContact O-ND1 3.17Å
392	I	97.7	Very high	96.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-56.4	-37	178	-68.8	164.1	0	0	0	112	I342 I359 L363 M366 L388 F390 F399 Y402	I342-I392 WeakPolarHBondContact CD1-O 3.26Å; I359-I392 HydrophobicContact CG2-CG2 4.43Å; L363-I392 HydrophobicContact CD2-CD1 3.95Å; L363-I392 HydrophobicContact CD2-CG2 4.27Å; M366-I392 HydrophobicContact CE-CD1 3.81Å; L388-I392 HydrophobicContact CD1-CD1 4.49Å; L388-I392 HydrophobicContact CG-CD1 4.06Å; L388-I392 WeakPolarHBondContact O-CD1 3.42Å; L388-I392 VanDerWaalsContact O-CG1 3.24Å; L388-I392 WeakPolarHBondContact O-CG1 3.36Å; L388-I392 PolarHBondContact O-N 3.32Å; F390-I392 PolarHBondContact O-N 2.99Å; I392-F399 HydrophobicContact CG2-CD2 3.89Å; I392-F399 HydrophobicContact CG2-CE2 4.48Å; I392-Y402 HydrophobicContact CD1-CD1 3.85Å; I392-Y402 HydrophobicContact CD1-CD2 3.5Å; I392-Y402 VanDerWaalsContact CD1-CD2 3.5Å; I392-Y402 HydrophobicContact CD1-CE1 4.01Å; I392-Y402 HydrophobicContact CD1-CE2 3.61Å; I392-Y402 HydrophobicContact CD1-CG 3.55Å; I392-Y402 HydrophobicContact CG1-CD1 4.17Å; I392-Y402 HydrophobicContact CG1-CD2 4.09Å; I392-Y402 HydrophobicContact CG1-CG 3.76Å
393	L	98.4	Very high	96.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-99.8	-12.6	-172.8	-66	172.9	0	0	0	114.3	F322 L335 F338 L363 F389 F390 N391	F322-L393 HydrophobicContact CD1-CD1 4.44Å; F322-L393 HydrophobicContact CE1-CB 3.53Å; F322-L393 HydrophobicContact CE1-CD1 4.03Å; F322-L393 HydrophobicContact CE1-CG 4.46Å; F322-L393 HydrophobicContact CZ-CB 3.95Å; L335-L393 HydrophobicContact CD2-CD1 3.83Å; F338-L393 HydrophobicContact CB-CB 4.14Å; F338-L393 HydrophobicContact CB-CD2 4.48Å; L363-L393 HydrophobicContact CD1-CD1 3.96Å; L363-L393 HydrophobicContact CD1-CD2 3.96Å; L363-L393 HydrophobicContact CD1-CG 4.12Å; F389-L393 HydrophobicContact CE1-CD1 4.14Å; F389-L393 HydrophobicContact CE2-CD1 4.33Å; F389-L393 HydrophobicContact CZ-CD1 3.95Å; F390-L393 PolarHBondContact O-N 2.98Å; N391-L393 PolarHBondContact O-N 3.06Å
394	S	98.1	Very high	95.9	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.007	18%	0.176	C	C	.	.	H	α-helix	trans	-94.3	-36.5	-176.2	51.3	0	0	0	0	113	T276 F390 N391	T276-S394 PolarHBondContact N-O 3.16Å; T276-S394 PolarHBondContact OG1-O 3.47Å; F390-S394 VanDerWaalsContact O-CB 3.25Å; F390-S394 WeakPolarHBondContact O-CB 3.15Å; F390-S394 PolarHBondContact O-N 3.42Å; F390-S394 PolarHBondContact O-OG 3.28Å; N391-S394 PolarHBondContact O-N 2.61Å; N391-S394 PolarHBondContact O-OG 3.13Å
395	H	96.9	Very high	95.4	Very high	24 Å²	24	30.5 Å²	30.5	11%	0.111	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-148.8	150.4	-171.5	59.3	-76.6	0	0	0	114.3	T274 L275 N391 E397 G398 F399	T274-H395 CarbonylContact O-C 3.42Å; T274-H395 WeakPolarHBondContact O-CA 3.47Å; T274-H395 VanDerWaalsContact O-CB 3.25Å; T274-H395 WeakPolarHBondContact O-CB 3.49Å; L275-H395 HydrophobicContact CD2-CB 3.66Å; N391-H395 PolarHBondContact O-N 3.02Å; N391-H395 PolarHBondContact O-ND1 3.17Å; H395-E397 PolarHBondContact O-N 3.34Å; H395-G398 PolarHBondContact CD2-N 3.33Å; H395-G398 WeakPolarHBondContact NE2-CA 3.45Å; H395-G398 PolarHBondContact NE2-N 3.49Å; H395-G398 PolarHBondContact O-N 2.84Å; H395-F399 PolarHBondContact O-N 2.87Å; H395-F399 VanDerWaalsContact O-N 3.13Å
396	L	97.6	Very high	93.9	Very high	5 Å²	5	35.7 Å²	35.7	3%	0.026	18%	0.179	C	C	.	.	H	α-helix	trans	-61.9	-41.5	-175.3	177.6	65.7	0	0	0	112.1	T274 L346 H349 Y351 G398 F399 L400	T274-L396 HydrophobicContact CG2-CB 4.44Å; T274-L396 PolarHBondContact O-N 2.94Å; L346-L396 HydrophobicContact CD2-CD1 3.57Å; L346-L396 HydrophobicContact CG-CD1 3.81Å; H349-L396 HydrophobicContact CB-CD2 4.22Å; Y351-L396 HydrophobicContact CD2-CD2 4.36Å; Y351-L396 HydrophobicContact CE2-CD2 4.22Å; L396-G398 VanDerWaalsContact C-N 3.33Å; L396-G398 PolarHBondContact O-N 2.75Å; L396-F399 WeakPolarHBondContact O-CB 3.43Å; L396-F399 PolarHBondContact O-N 3.15Å; L396-L400 HydrophobicContact CD1-CD1 4.06Å; L396-L400 HydrophobicContact CD1-CD2 4.47Å; L396-L400 HydrophobicContact CD1-CG 4Å; L396-L400 HydrophobicContact CD2-CD1 4.34Å; L396-L400 HydrophobicContact CG-CD1 3.83Å; L396-L400 HydrophobicContact CG-CG 4.19Å; L396-L400 VanDerWaalsContact O-CG 3.32Å; L396-L400 WeakPolarHBondContact O-CG 3.47Å; L396-L400 PolarHBondContact O-N 2.85Å
397	E	96	Very high	92.2	Very high	98 Å²	98	41.4 Å²	41.4	46%	0.458	21%	0.209	S	C	.	.	H	α-helix	trans	-64.1	-38.4	179.3	-180	-179.9	-153	0	0	112.3	S272 T274 H395 F399 L400 S401	S272-E397 WeakPolarHBondContact CB-OE2 3.36Å; S272-E397 PolarHBondContact OG-OE2 3.44Å; T274-E397 HydrophobicContact CG2-CB 4.42Å; T274-E397 WeakPolarHBondContact OG1-CB 3.42Å; T274-E397 PolarHBondContact OG1-N 3.32Å; H395-E397 PolarHBondContact O-N 3.34Å; E397-F399 VanDerWaalsContact C-N 3.34Å; E397-L400 PolarHBondContact O-N 3.04Å; E397-S401 VanDerWaalsContact O-CB 3.28Å; E397-S401 WeakPolarHBondContact O-CB 3.41Å; E397-S401 PolarHBondContact O-N 3.09Å; E397-S401 PolarHBondContact O-OG 2.76Å
398	G	95.7	Very high	90.2	Very high	6 Å²	6	46.2 Å²	46.2	6%	0.062	24%	0.242	C	C	.	.	H	α-helix	trans	-64.1	-40.6	176.2	0	0	0	0	0	111.8	H395 L396 Y402	H395-G398 PolarHBondContact CD2-N 3.33Å; H395-G398 WeakPolarHBondContact NE2-CA 3.45Å; H395-G398 PolarHBondContact NE2-N 3.49Å; H395-G398 PolarHBondContact O-N 2.84Å; L396-G398 VanDerWaalsContact C-N 3.33Å; L396-G398 PolarHBondContact O-N 2.75Å; G398-Y402 PolarHBondContact O-N 3.47Å
399	F	97.1	Very high	87.9	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.009	26%	0.259	C	S	.	.	H	α-helix	trans	-63.2	-51.1	172.2	-178.2	-94	0	0	0	112.4	Y339 I342 L346 V354 I359 I392 H395 L396 E397 S401 Y402 E403	Y339-F399 HydrophobicContact CE2-CD2 4.45Å; Y339-F399 AromaticContact CE2-CE2 3.75Å; Y339-F399 HydrophobicContact CE2-CE2 3.75Å; Y339-F399 HydrophobicContact CE2-CZ 4.21Å; I342-F399 HydrophobicContact CD1-CB 4.23Å; I342-F399 HydrophobicContact CG2-CB 3.88Å; I342-F399 HydrophobicContact CG2-CD1 3.8Å; I342-F399 HydrophobicContact CG2-CD2 3.67Å; I342-F399 HydrophobicContact CG2-CE1 4.28Å; I342-F399 HydrophobicContact CG2-CE2 4.18Å; I342-F399 HydrophobicContact CG2-CG 3.48Å; I342-F399 VanDerWaalsContact CG2-CG 3.48Å; I342-F399 HydrophobicContact CG2-CZ 4.47Å; L346-F399 HydrophobicContact CD1-CD1 4.28Å; L346-F399 HydrophobicContact CD1-CE1 3.78Å; L346-F399 HydrophobicContact CD1-CZ 4.35Å; L346-F399 HydrophobicContact CD2-CD1 4.13Å; L346-F399 HydrophobicContact CD2-CE1 4.08Å; L346-F399 HydrophobicContact CG-CE1 4.44Å; V354-F399 HydrophobicContact CB-CZ 4.16Å; V354-F399 HydrophobicContact CG2-CE1 4.28Å; V354-F399 HydrophobicContact CG2-CZ 3.94Å; I359-F399 HydrophobicContact CD1-CE2 3.64Å; I359-F399 HydrophobicContact CD1-CZ 3.95Å; I359-F399 HydrophobicContact CG1-CE2 3.97Å; I359-F399 HydrophobicContact CG1-CZ 4.35Å; I392-F399 HydrophobicContact CG2-CD2 3.89Å; I392-F399 HydrophobicContact CG2-CE2 4.48Å; H395-F399 PolarHBondContact O-N 2.87Å; H395-F399 VanDerWaalsContact O-N 3.13Å; L396-F399 WeakPolarHBondContact O-CB 3.43Å; L396-F399 PolarHBondContact O-N 3.15Å; E397-F399 VanDerWaalsContact C-N 3.34Å; F399-S401 VanDerWaalsContact C-N 3.33Å; F399-S401 PolarHBondContact O-N 3.41Å; F399-Y402 WeakPolarHBondContact O-CB 3.45Å; F399-Y402 PolarHBondContact O-N 3.48Å; F399-Y402 VanDerWaalsContact O-N 3.11Å; F399-E403 HydrophobicContact CD1-CG 4Å; F399-E403 HydrophobicContact CE1-CG 3.43Å; F399-E403 VanDerWaalsContact CE1-CG 3.43Å; F399-E403 HydrophobicContact CE2-CG 4.27Å; F399-E403 HydrophobicContact CZ-CG 3.57Å; F399-E403 PolarHBondContact O-N 2.87Å
400	L	95.8	Very high	85	Confident	28 Å²	28	52.1 Å²	52.1	15%	0.147	28%	0.282	C	S	.	.	H	α-helix	trans	-64.7	-36.5	-178.3	-69.3	174.7	0	0	0	112.6	L346 Y351 L396 E397 Y402 E403 N404	L346-L400 HydrophobicContact CD2-CD2 3.96Å; Y351-L400 HydrophobicContact CD1-CD2 3.97Å; Y351-L400 HydrophobicContact CD2-CD1 4.15Å; Y351-L400 HydrophobicContact CD2-CD2 4.4Å; Y351-L400 HydrophobicContact CE1-CD1 4.03Å; Y351-L400 HydrophobicContact CE1-CD2 4.16Å; Y351-L400 HydrophobicContact CE2-CD1 3.64Å; Y351-L400 HydrophobicContact CG-CD2 4.1Å; L396-L400 HydrophobicContact CD1-CD1 4.06Å; L396-L400 HydrophobicContact CD1-CD2 4.47Å; L396-L400 HydrophobicContact CD1-CG 4Å; L396-L400 HydrophobicContact CD2-CD1 4.34Å; L396-L400 HydrophobicContact CG-CD1 3.83Å; L396-L400 HydrophobicContact CG-CG 4.19Å; L396-L400 VanDerWaalsContact O-CG 3.32Å; L396-L400 WeakPolarHBondContact O-CG 3.47Å; L396-L400 PolarHBondContact O-N 2.85Å; E397-L400 PolarHBondContact O-N 3.04Å; L400-Y402 PolarHBondContact O-N 2.97Å; L400-E403 PolarHBondContact O-N 3.01Å; L400-N404 WeakPolarHBondContact O-CB 3.43Å; L400-N404 VanDerWaalsContact O-CG 3.32Å; L400-N404 PolarHBondContact O-N 3.02Å; L400-N404 PolarHBondContact O-ND2 2.78Å
401	S	94	Very high	82	Confident	78 Å²	78	57.4 Å²	57.4	55%	0.545	32%	0.317	S	S	.	.	H	α-helix	trans	-62.7	-35.2	175.1	-62.6	0	0	0	0	111.6	E397 F399	E397-S401 VanDerWaalsContact O-CB 3.28Å; E397-S401 WeakPolarHBondContact O-CB 3.41Å; E397-S401 PolarHBondContact O-N 3.09Å; E397-S401 PolarHBondContact O-OG 2.76Å; F399-S401 VanDerWaalsContact C-N 3.33Å; F399-S401 PolarHBondContact O-N 3.41Å
402	Y	93.7	Very high	79.2	Confident	10 Å²	10	63.7 Å²	63.7	4%	0.039	35%	0.35	C	S	.	.	H	α-helix	trans	-72.5	-49	174.8	-179.7	-100.3	0	0	0	112.4	E362 M366 L388 I392 G398 F399 L400 N404 R405	E362-Y402 WeakPolarHBondContact OE2-CE1 3.17Å; E362-Y402 PolarHBondContact OE2-OH 2.91Å; M366-Y402 HydrophobicContact CE-CD2 4.46Å; M366-Y402 HydrophobicContact CE-CE2 3.43Å; M366-Y402 VanDerWaalsContact CE-CE2 3.43Å; M366-Y402 WeakPolarHBondContact CE-OH 3.25Å; L388-Y402 HydrophobicContact CD1-CD2 3.96Å; L388-Y402 HydrophobicContact CD2-CD2 3.91Å; L388-Y402 HydrophobicContact CD2-CE2 3.86Å; L388-Y402 HydrophobicContact CG-CD2 4.06Å; L388-Y402 HydrophobicContact CG-CE2 4.32Å; I392-Y402 HydrophobicContact CD1-CD1 3.85Å; I392-Y402 HydrophobicContact CD1-CD2 3.5Å; I392-Y402 VanDerWaalsContact CD1-CD2 3.5Å; I392-Y402 HydrophobicContact CD1-CE1 4.01Å; I392-Y402 HydrophobicContact CD1-CE2 3.61Å; I392-Y402 HydrophobicContact CD1-CG 3.55Å; I392-Y402 HydrophobicContact CG1-CD1 4.17Å; I392-Y402 HydrophobicContact CG1-CD2 4.09Å; I392-Y402 HydrophobicContact CG1-CG 3.76Å; G398-Y402 PolarHBondContact O-N 3.47Å; F399-Y402 WeakPolarHBondContact O-CB 3.45Å; F399-Y402 PolarHBondContact O-N 3.48Å; F399-Y402 VanDerWaalsContact O-N 3.11Å; L400-Y402 PolarHBondContact O-N 2.97Å; Y402-N404 VanDerWaalsContact C-N 3.27Å; Y402-N404 PolarHBondContact O-N 2.86Å; Y402-R405 VanDerWaalsContact O-CB 3.23Å; Y402-R405 WeakPolarHBondContact O-CB 3.37Å; Y402-R405 WeakPolarHBondContact O-CD 2.82Å; Y402-R405 WeakPolarHBondContact O-CG 3.21Å; Y402-R405 PolarHBondContact O-N 3.12Å; Y402-R405 VanDerWaalsContact O-N 3.13Å; Y402-R405 VanDerWaalsContact OH-CZ 3.28Å; Y402-R405 PolarHBondContact OH-NH1 3.06Å; Y402-R405 PolarHBondContact OH-NH2 3.44Å
403	E	89.6	Confident	76.2	Confident	62 Å²	62	72.2 Å²	72.2	29%	0.29	39%	0.389	S	S	.	.	H	α-helix	trans	-59	-39.4	179	-75.3	-65.9	112	0	0	112	V354 I359 F399 L400 R405	V354-E403 WeakPolarHBondContact CG2-OE2 3.32Å; I359-E403 WeakPolarHBondContact CD1-OE1 3.34Å; F399-E403 HydrophobicContact CD1-CG 4Å; F399-E403 HydrophobicContact CE1-CG 3.43Å; F399-E403 VanDerWaalsContact CE1-CG 3.43Å; F399-E403 HydrophobicContact CE2-CG 4.27Å; F399-E403 HydrophobicContact CZ-CG 3.57Å; F399-E403 PolarHBondContact O-N 2.87Å; L400-E403 PolarHBondContact O-N 3.01Å; E403-R405 VanDerWaalsContact C-N 3.26Å; E403-R405 PolarHBondContact O-N 2.77Å
404	N	87.4	Confident	73.3	Confident	72 Å²	72	77.4 Å²	77.4	39%	0.385	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-0.1	-178.7	-67.6	-41.4	0	0	0	114.3	L400 Y402 E406 I407 S408	L400-N404 WeakPolarHBondContact O-CB 3.43Å; L400-N404 VanDerWaalsContact O-CG 3.32Å; L400-N404 PolarHBondContact O-N 3.02Å; L400-N404 PolarHBondContact O-ND2 2.78Å; Y402-N404 VanDerWaalsContact C-N 3.27Å; Y402-N404 PolarHBondContact O-N 2.86Å; N404-E406 PolarHBondContact O-N 3.4Å; N404-E406 VanDerWaalsContact O-N 3.17Å; N404-I407 PolarHBondContact O-N 3.39Å; N404-S408 PolarHBondContact O-N 2.9Å; N404-S408 VanDerWaalsContact O-N 3.07Å
405	R	82.6	Confident	70.4	Confident	95 Å²	95	85.6 Å²	85.6	36%	0.358	46%	0.464	S	S	.	.	H	α-helix	trans	-58.2	-31.9	-176.5	73.4	-167.8	164.8	165.6	-10	113.7	E362 Y402 E403 N409	E362-R405 IonicContact OE2-CZ 3.99Å; E362-R405 IonicContact OE2-NH2 3.7Å; E362-R405 PolarHBondContact OE2-NH2 3.39Å; Y402-R405 VanDerWaalsContact O-CB 3.23Å; Y402-R405 WeakPolarHBondContact O-CB 3.37Å; Y402-R405 WeakPolarHBondContact O-CD 2.82Å; Y402-R405 WeakPolarHBondContact O-CG 3.21Å; Y402-R405 PolarHBondContact O-N 3.12Å; Y402-R405 VanDerWaalsContact O-N 3.13Å; Y402-R405 VanDerWaalsContact OH-CZ 3.28Å; Y402-R405 PolarHBondContact OH-NH1 3.06Å; Y402-R405 PolarHBondContact OH-NH2 3.44Å; E403-R405 VanDerWaalsContact C-N 3.26Å; E403-R405 PolarHBondContact O-N 2.77Å; R405-N409 WeakPolarHBondContact O-CB 3.18Å; R405-N409 PolarHBondContact O-N 3.07Å; R405-N409 PolarHBondContact O-ND2 3.39Å; R405-N409 VanDerWaalsContact O-ND2 3.09Å
406	E	65.2	Low	67.5	Low	150 Å²	150	93.7 Å²	93.7	70%	0.701	50%	0.501	S	S	*	.	H	α-helix	trans	-78.5	-33	178.8	-64.9	-163	162.1	0	0	111.9	N404 N409 A410	N404-E406 PolarHBondContact O-N 3.4Å; N404-E406 VanDerWaalsContact O-N 3.17Å; E406-N409 PolarHBondContact O-N 3.33Å; E406-A410 PolarHBondContact O-N 2.92Å
407	I	61.2	Low	64.7	Low	122 Å²	122	97 Å²	97	63%	0.626	54%	0.536	S	S	*	.	H	α-helix	trans	-69.9	-41.5	178.4	-59.6	170.2	0	0	0	110.1	N404 N409 A410	N404-I407 PolarHBondContact O-N 3.39Å; I407-N409 VanDerWaalsContact C-N 3.3Å; I407-N409 PolarHBondContact O-N 3.24Å; I407-A410 PolarHBondContact O-N 3.36Å
408	S	56.7	Low	61.8	Low	101 Å²	101	101.5 Å²	101.5	71%	0.706	56%	0.557	S	S	*	*	H	α-helix	trans	-69.9	-23.9	177.1	-62	0	0	0	0	113.9	N404	N404-S408 PolarHBondContact O-N 2.9Å; N404-S408 VanDerWaalsContact O-N 3.07Å
409	N	47.5	Very low	59.1	Low	136 Å²	136	109 Å²	109	73%	0.727	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	0.2	178	-75.6	-30.6	0	0	0	113.8	R405 E406 I407 P411	R405-N409 WeakPolarHBondContact O-CB 3.18Å; R405-N409 PolarHBondContact O-N 3.07Å; R405-N409 PolarHBondContact O-ND2 3.39Å; R405-N409 VanDerWaalsContact O-ND2 3.09Å; E406-N409 PolarHBondContact O-N 3.33Å; I407-N409 VanDerWaalsContact C-N 3.3Å; I407-N409 PolarHBondContact O-N 3.24Å; N409-P411 WeakPolarHBondContact O-CD 3.33Å
410	A	37.4	Very low	56.3	Low	60 Å²	60	112.2 Å²	112.2	50%	0.496	63%	0.63	S	S	.	*	S	Bend	trans	-66.9	120.4	172.4	0	0	0	0	0	108.7	E406 I407 L412	E406-A410 PolarHBondContact O-N 2.92Å; I407-A410 PolarHBondContact O-N 3.36Å; A410-L412 PolarHBondContact O-N 3.24Å; A410-L412 VanDerWaalsContact O-N 3.09Å
411	P	36.5	Very low	53.5	Low	113 Å²	113	118 Å²	118	73%	0.734	66%	0.661	S	S	*	*			trans	-56.6	125.5	171.3	22.5	-30.6	0	0	0	107.2	N409 Q413	N409-P411 WeakPolarHBondContact O-CD 3.33Å; P411-Q413 VanDerWaalsContact C-N 3.29Å; P411-Q413 PolarHBondContact O-N 3.09Å
412	L	39	Very low	50.9	Low	175 Å²	175	127.4 Å²	127.4	92%	0.916	69%	0.692	S	S	*	*			trans	-46.8	102.4	168.7	-76.6	163.9	0	0	0	106.2	A410 S414	A410-L412 PolarHBondContact O-N 3.24Å; A410-L412 VanDerWaalsContact O-N 3.09Å; L412-S414 VanDerWaalsContact C-N 3.29Å; L412-S414 PolarHBondContact O-N 2.92Å
413	Q	33.3	Very low	48.8	Very low	178 Å²	178	133.3 Å²	133.3	83%	0.832	73%	0.725	S	S	*	*			trans	-61.6	108.5	169	-74.1	-173.8	5.3	0	0	103.3	P411 E415	P411-Q413 VanDerWaalsContact C-N 3.29Å; P411-Q413 PolarHBondContact O-N 3.09Å; Q413-E415 PolarHBondContact O-N 3.44Å
414	S	37.8	Very low	46.7	Very low	109 Å²	109	137 Å²	137	76%	0.762	75%	0.748	S	S	*	*			trans	-57.8	89.6	162.4	53.4	0	0	0	0	105.6	L412 H416	L412-S414 VanDerWaalsContact C-N 3.29Å; L412-S414 PolarHBondContact O-N 2.92Å; S414-H416 VanDerWaalsContact C-N 3.31Å; S414-H416 PolarHBondContact O-N 3.29Å
415	E	38	Very low	44.4	Very low	174 Å²	174	140.6 Å²	140.6	81%	0.813	77%	0.768	S	S	*	*			trans	-47	112	144.5	-68.7	-173.3	162.3	0	0	104	Q413	Q413-E415 PolarHBondContact O-N 3.44Å
416	H	36.3	Very low	42.1	Very low	193 Å²	193	143.3 Å²	143.3	89%	0.894	79%	0.792	S	S	*	*			trans	171	99.2	151.3	-91.2	45.6	0	0	0	106.2	S414	S414-H416 VanDerWaalsContact C-N 3.31Å; S414-H416 PolarHBondContact O-N 3.29Å
417	G	37.6	Very low	40.7	Very low	74 Å²	74	142.9 Å²	142.9	76%	0.763	80%	0.798	S	S	*	*			trans	165.6	25.4	177.7	0	0	0	0	0	114.3
418	Q	35.1	Very low	39.3	Very low	193 Å²	193	144.3 Å²	144.3	90%	0.902	81%	0.809	S	S	*	*			trans	-91.2	87	155.5	-78.3	-173.7	-8.4	0	0	107.2
419	D	38.5	Very low	38.1	Very low	164 Å²	164	147.4 Å²	147.4	88%	0.877	82%	0.817	S	S	*	*			trans	-136.3	104.8	155.2	-80.2	-39.9	0	0	0	103
420	G	38.2	Very low	37.4	Very low	69 Å²	69	148.2 Å²	148.2	71%	0.711	82%	0.824	S	S	*	*				112.2	96.5	67.8	0	0	0	0	0	104.8
421	D	37	Very low	37.4	Very low	149 Å²	149	155.6 Å²	155.6	80%	0.797	85%	0.851	S	S	*	*				97.8	117.8	96.8	-112	-3.6	0	0	0	110.8
422	F	41.2	Very low	37.4	Very low	276 Å²	276	159.5 Å²	159.5	100%	1.211	86%	0.862	S	S	*	*			trans	36	0	158.4	-72.5	-86.1	0	0	0	121.1

Retrieved 422 of 422 residues in 87.4 ms (Link to these results)

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