A0A5K4FD20_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4FD20, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 283 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.7	Very low	49.9	Very low	238 Å²	238	158.5 Å²	158.5	100%	1.172	84%	0.843	S	S	*	*				0	171.7	0	-77.6	-178.3	172.1	0	0	108.8
2	Q	46.5	Very low	50.5	Low	189 Å²	189	154.8 Å²	154.8	88%	0.883	84%	0.839	S	S	*	*			trans	72.2	124.6	-171.8	-59.9	176.5	-44.3	0	0	115.2
3	I	55.3	Low	51.2	Low	174 Å²	174	153.3 Å²	153.3	89%	0.892	84%	0.837	S	S	*	*			trans	-127.5	119.9	159.8	-64.7	164.3	0	0	0	106.2
4	P	52.1	Low	52.2	Low	109 Å²	109	151.1 Å²	151.1	71%	0.708	83%	0.831	S	S	*	*			trans	-136.7	162.7	146.2	36.9	-24.2	0	0	0	110.9
5	S	51.5	Low	52.9	Low	110 Å²	110	147.7 Å²	147.7	77%	0.769	82%	0.822	S	S	*	*			cis	-164.9	148.8	-19.2	48.7	0	0	0	0	106.9
6	R	45.9	Very low	53.7	Low	235 Å²	235	146.4 Å²	146.4	89%	0.887	82%	0.819	S	S	*	*			trans	-110.6	117.4	-175.8	-178.4	-176.9	176.3	-175.7	-0	112.7
7	P	50.3	Low	53.8	Low	116 Å²	116	146.6 Å²	146.6	75%	0.753	81%	0.812	S	S	*	*			trans	-101.3	176.2	159.6	37.5	-30.8	0	0	0	111.8
8	G	53.7	Low	53.7	Low	68 Å²	68	145.1 Å²	145.1	70%	0.701	81%	0.809	S	S	*	*			trans	102.8	74.8	165.8	0	0	0	0	0	115.6
9	Q	45.5	Very low	53.1	Low	174 Å²	174	145.8 Å²	145.8	81%	0.813	81%	0.812	S	S	*	*			trans	-110	116.7	161.8	-179	176.1	-1.2	0	0	108.1
10	M	54.7	Low	53.1	Low	189 Å²	189	141.7 Å²	141.7	93%	0.931	80%	0.804	S	S	*	*			trans	-114.3	131.3	170.4	-76.7	-172.1	168.7	0	0	109.2	S12	M10-S12 PolarHBondContact O-N 3.31Å
11	N	50.8	Low	52.9	Low	142 Å²	142	140.2 Å²	140.2	76%	0.759	80%	0.798	S	S	*	*			trans	-81.7	113.2	-174.6	-62.8	-29.4	0	0	0	110.1
12	S	56.9	Low	52.9	Low	114 Å²	114	136.8 Å²	136.8	80%	0.797	78%	0.781	S	S	*	*			trans	-84	123.1	170.1	-168.7	0	0	0	0	109.9	M10 V14	M10-S12 PolarHBondContact O-N 3.31Å; S12-V14 PolarHBondContact O-N 3.25Å
13	V	60.4	Low	53.2	Low	135 Å²	135	133.1 Å²	133.1	82%	0.818	77%	0.767	S	S	*	*			trans	-71.8	117.3	178.3	175.5	0	0	0	0	109.4	S15	V13-S15 PolarHBondContact O-N 3.25Å; V13-S15 VanDerWaalsContact O-N 3.12Å
14	V	64.2	Low	53.1	Low	123 Å²	123	128.4 Å²	128.4	75%	0.745	74%	0.741	S	S	*	*			trans	-74.6	103	176.2	179.4	0	0	0	0	109.5	S12 V16	S12-V14 PolarHBondContact O-N 3.25Å; V14-V16 HydrophobicContact CG1-CG2 4.38Å; V14-V16 PolarHBondContact O-N 3.21Å
15	S	62.4	Low	53.6	Low	99 Å²	99	128.3 Å²	128.3	69%	0.692	74%	0.743	S	S	*	*			trans	-72.7	104.2	168.7	-176	0	0	0	0	109.8	V13 Q17	V13-S15 PolarHBondContact O-N 3.25Å; V13-S15 VanDerWaalsContact O-N 3.12Å; S15-Q17 PolarHBondContact O-N 3.4Å; S15-Q17 VanDerWaalsContact O-N 3.12Å
16	V	66.3	Low	54.9	Low	128 Å²	128	128.6 Å²	128.6	78%	0.776	74%	0.736	S	S	*	*			trans	-76.3	94.9	172.5	-178.3	0	0	0	0	108.5	V14	V14-V16 HydrophobicContact CG1-CG2 4.38Å; V14-V16 PolarHBondContact O-N 3.21Å
17	Q	55.6	Low	56.8	Low	150 Å²	150	121.2 Å²	121.2	70%	0.701	71%	0.711	S	S	*	*			trans	-69	140.9	167	-69	-162.4	8.6	0	0	110.1	S15 D19	S15-Q17 PolarHBondContact O-N 3.4Å; S15-Q17 VanDerWaalsContact O-N 3.12Å; Q17-D19 PolarHBondContact O-N 3.35Å
18	P	51.1	Low	58.7	Low	118 Å²	118	119.1 Å²	119.1	77%	0.766	69%	0.69	S	S	*	*			trans	-69.3	117.2	176.4	27.8	-33.5	0	0	0	110.6	G20	P18-G20 PolarHBondContact O-N 2.98Å
19	D	43.5	Very low	60.6	Low	160 Å²	160	121.9 Å²	121.9	86%	0.856	68%	0.684	S	S	*	*	S	Bend	trans	-72.7	86.2	-179.7	-173.3	19.2	0	0	0	111.9	Q17	Q17-D19 PolarHBondContact O-N 3.35Å
20	G	51.8	Low	62.9	Low	63 Å²	63	115 Å²	115	65%	0.649	65%	0.651	S	S	*	*	S	Bend	trans	-140.6	-9.4	176.2	0	0	0	0	0	115.5	P18	P18-G20 PolarHBondContact O-N 2.98Å
21	T	49	Very low	64.7	Low	111 Å²	111	107.6 Å²	107.6	68%	0.681	62%	0.615	S	S	*	*	S	Bend	trans	-117.1	-24.5	-162.4	-45.3	0	0	0	0	114	N23	T21-N23 VanDerWaalsContact C-N 3.34Å; T21-N23 PolarHBondContact O-N 3.32Å; T21-N23 VanDerWaalsContact O-N 3.15Å
22	M	44.3	Very low	66.7	Low	165 Å²	165	100.9 Å²	100.9	81%	0.813	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	17	-162.6	-65	-132.9	73.7	0	0	116.8
23	N	51.1	Low	68.4	Low	112 Å²	112	96.9 Å²	96.9	60%	0.599	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.4	53.3	169.8	-157.8	-22.7	0	0	0	113.6	T21 K27	T21-N23 VanDerWaalsContact C-N 3.34Å; T21-N23 PolarHBondContact O-N 3.32Å; T21-N23 VanDerWaalsContact O-N 3.15Å; N23-K27 PolarHBondContact O-NZ 3.04Å
24	Q	53.3	Low	69.8	Low	76 Å²	76	93.7 Å²	93.7	36%	0.355	53%	0.534	S	S	.	.			trans	-111.6	-20.4	168.5	-66.3	-149.4	41.9	0	0	114.6	N26 K27 K103	Q24-N26 PolarHBondContact O-N 3.46Å; Q24-K27 PolarHBondContact O-N 2.69Å; Q24-K103 WeakPolarHBondContact O-CE 3.04Å; Q24-K103 PolarHBondContact O-NZ 3.3Å; Q24-K103 VanDerWaalsContact O-NZ 3.08Å
25	S	62.8	Low	71.1	Confident	107 Å²	107	91.6 Å²	91.6	75%	0.748	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-54.2	-173.2	52	0	0	0	0	112.8	K27 K103	S25-K27 VanDerWaalsContact C-N 3.29Å; S25-K27 PolarHBondContact O-N 3.26Å; S25-K103 PolarHBondContact O-NZ 3.5Å
26	N	79.9	Confident	72.5	Confident	116 Å²	116	89.7 Å²	89.7	62%	0.62	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-11.3	-175	-170.4	-106.4	0	0	0	115.7	Q24	Q24-N26 PolarHBondContact O-N 3.46Å
27	K	84.9	Confident	73.6	Confident	80 Å²	80	85.8 Å²	85.8	35%	0.348	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-80.8	135.8	-177.4	-70.4	166.8	-177.7	149.7	0	111	N23 Q24 S25 R101 K103	N23-K27 PolarHBondContact O-NZ 3.04Å; Q24-K27 PolarHBondContact O-N 2.69Å; S25-K27 VanDerWaalsContact C-N 3.29Å; S25-K27 PolarHBondContact O-N 3.26Å; K27-R101 CarbonylContact C-O 3.53Å; K27-R101 VanDerWaalsContact CA-O 3.24Å; K27-R101 WeakPolarHBondContact CA-O 3.26Å; K27-R101 VanDerWaalsContact CB-O 3.28Å; K27-R101 WeakPolarHBondContact CB-O 3.37Å; K27-K103 HydrophobicContact CB-CG 3.58Å; K27-K103 WeakPolarHBondContact O-CE 3.38Å; K27-K103 PolarHBondContact O-NZ 3.03Å
28	K	91.5	Very high	75.3	Confident	72 Å²	72	85.3 Å²	85.3	31%	0.313	47%	0.474	S	S	.	.	B	Isolated β-bridge	trans	-82	165.2	178.6	62.1	176.6	164.8	-169.3	0	112.6	Y100 R101 I102 K103 E131	K28-Y100 WeakPolarHBondContact CE-O 3.44Å; K28-R101 PolarHBondContact N-O 3.15Å; K28-I102 HydrophobicContact CG-CG1 4.28Å; K28-I102 CarbonylContact O-C 3.41Å; K28-I102 WeakPolarHBondContact O-CA 3.39Å; K28-K103 PolarHBondContact O-N 2.99Å; K28-E131 IonicContact NZ-OE1 2.68Å; K28-E131 PolarHBondContact NZ-OE1 2.97Å; K28-E131 IonicContact NZ-OE2 2.69Å; K28-E131 PolarHBondContact NZ-OE2 3.4Å
29	Q	93.5	Very high	77.3	Confident	126 Å²	126	80.1 Å²	80.1	59%	0.589	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-86	167.5	168.2	-169.9	57.4	10.8	0	0	110
30	W	92.9	Very high	79.7	Confident	29 Å²	29	78.6 Å²	78.6	11%	0.11	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-61.5	133.8	167.4	-67	92.3	0	0	0	111	V32 R93 L96 R97 I102 Q123 Q127	W30-V32 PolarHBondContact O-N 3.33Å; W30-R93 HydrophobicContact CH2-CG 3.59Å; W30-R93 HydrophobicContact CZ2-CG 3.68Å; W30-L96 HydrophobicContact CH2-CD2 4.23Å; W30-L96 HydrophobicContact CZ3-CD2 4.32Å; W30-R97 HydrophobicContact CH2-CG 4.06Å; W30-R97 HydrophobicContact CZ2-CG 3.38Å; W30-I102 HydrophobicContact CD2-CD1 4.34Å; W30-I102 HydrophobicContact CD2-CG2 3.99Å; W30-I102 HydrophobicContact CE3-CD1 4.06Å; W30-I102 HydrophobicContact CG-CG2 3.9Å; W30-I102 HydrophobicContact CZ3-CD1 4.17Å; W30-Q123 HydrophobicContact CD2-CG 4.2Å; W30-Q123 HydrophobicContact CE3-CG 3.71Å; W30-Q123 HydrophobicContact CZ3-CG 3.91Å; W30-Q127 HydrophobicContact CE3-CB 4.06Å; W30-Q127 HydrophobicContact CE3-CG 4.03Å; W30-Q127 HydrophobicContact CZ3-CB 3.94Å; W30-Q127 HydrophobicContact CZ3-CG 4.06Å
31	D	93	Very high	81.8	Confident	34 Å²	34	83.1 Å²	83.1	18%	0.182	43%	0.432	C	S	.	.	S	Bend	trans	-72.2	-10.9	175.5	-74.7	-76.7	0	0	0	112.9	Q127 I130 K134 R165 I166	D31-Q127 PolarHBondContact OD2-NE2 2.85Å; D31-I130 HydrophobicContact CB-CD1 3.73Å; D31-I130 HydrophobicContact CB-CG2 4.15Å; D31-K134 IonicContact OD1-NZ 2.87Å; D31-K134 PolarHBondContact OD1-NZ 3.16Å; D31-K134 IonicContact OD2-NZ 2.66Å; D31-K134 PolarHBondContact OD2-NZ 3.18Å; D31-R165 PolarHBondContact O-NH2 3.4Å; D31-I166 HydrophobicContact CB-CD1 4.39Å
32	V	93.2	Very high	84.1	Confident	1 Å²	1	77.8 Å²	77.8	1%	0.006	40%	0.4	C	S	.	.	S	Bend	trans	-140.4	129.1	-176.3	-177.2	0	0	0	0	109.6	W30 E36 Y122 Q123 A126 I130 Y160	W30-V32 PolarHBondContact O-N 3.33Å; V32-E36 HydrophobicContact CG1-CB 3.88Å; V32-Y122 HydrophobicContact CG1-CE1 4.22Å; V32-Q123 PolarHBondContact O-NE2 3.12Å; V32-A126 HydrophobicContact CG1-CB 4.45Å; V32-A126 HydrophobicContact CG2-CB 4.1Å; V32-I130 HydrophobicContact CG2-CD1 3.53Å; V32-Y160 WeakPolarHBondContact CG2-OH 3.28Å
33	G	92.5	Very high	86.6	Confident	30 Å²	30	71.6 Å²	71.6	31%	0.309	37%	0.371	S	S	.	.			trans	-69.4	158.6	177	0	0	0	0	0	113.2	E36	G33-E36 PolarHBondContact N-OE2 3.46Å; G33-E36 WeakPolarHBondContact O-CB 3.47Å; G33-E36 PolarHBondContact O-N 3.48Å
34	L	89.9	Confident	88.8	Confident	68 Å²	68	70.8 Å²	70.8	36%	0.356	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	138.3	171.1	-165	67.8	0	0	0	108.3	E36 A112 C119 M120 Q123	L34-E36 PolarHBondContact O-N 3.09Å; L34-A112 HydrophobicContact CD1-CB 4.08Å; L34-A112 HydrophobicContact CD2-CB 3.82Å; L34-C119 HydrophobicContact CD1-CB 4.22Å; L34-M120 HydrophobicContact CD1-CB 4.41Å; L34-Q123 HydrophobicContact CD1-CB 4.47Å
35	C	90.7	Very high	90.9	Very high	79 Å²	79	69.1 Å²	69.1	53%	0.534	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	66	7.1	-173.4	-49.9	0	0	0	0	116.4	C37	C35-C37 PolarHBondContact O-N 2.91Å
36	E	91.1	Very high	92.5	Very high	59 Å²	59	64.1 Å²	64.1	28%	0.276	32%	0.324	S	S	.	.			trans	-75.5	59.7	171.7	-71.4	-155.3	105.2	0	0	113	V32 G33 L34 R38 Y122	V32-E36 HydrophobicContact CG1-CB 3.88Å; G33-E36 PolarHBondContact N-OE2 3.46Å; G33-E36 WeakPolarHBondContact O-CB 3.47Å; G33-E36 PolarHBondContact O-N 3.48Å; L34-E36 PolarHBondContact O-N 3.09Å; E36-R38 PolarHBondContact O-N 3.42Å; E36-R38 IonicContact OE1-CZ 2.68Å; E36-R38 IonicContact OE1-NE 3.32Å; E36-R38 PolarHBondContact OE1-NE 3.36Å; E36-R38 IonicContact OE1-NH2 2.82Å; E36-R38 PolarHBondContact OE1-NH2 3.07Å; E36-Y122 WeakPolarHBondContact O-CE1 3.48Å; E36-Y122 PolarHBondContact O-OH 2.86Å
37	C	89.7	Confident	93.3	Very high	46 Å²	46	61.6 Å²	61.6	31%	0.311	32%	0.315	S	S	.	.			trans	-75.5	46.4	-169.5	-65.4	0	0	0	0	115.3	C35 S39 T43	C35-C37 PolarHBondContact O-N 2.91Å; C37-S39 VanDerWaalsContact C-N 3.31Å; C37-S39 PolarHBondContact O-N 2.96Å; C37-T43 HydrophobicContact CB-CG2 3.86Å; C37-T43 PolarHBondContact O-OG1 3.11Å; C37-T43 VanDerWaalsContact O-OG1 3.1Å
38	R	90.8	Very high	93.8	Very high	140 Å²	140	66.4 Å²	66.4	53%	0.528	34%	0.336	S	S	.	.			trans	-57.6	-26.9	-176.4	-58.7	175.8	-173.8	-129.8	1.8	115.6	E36 Y122	E36-R38 PolarHBondContact O-N 3.42Å; E36-R38 IonicContact OE1-CZ 2.68Å; E36-R38 IonicContact OE1-NE 3.32Å; E36-R38 PolarHBondContact OE1-NE 3.36Å; E36-R38 IonicContact OE1-NH2 2.82Å; E36-R38 PolarHBondContact OE1-NH2 3.07Å; R38-Y122 PolarHBondContact N-OH 3.01Å
39	S	93.7	Very high	94.1	Very high	9 Å²	9	64.4 Å²	64.4	6%	0.063	33%	0.331	C	S	.	.			trans	-104.2	90.8	-174.5	-69.3	0	0	0	0	112.5	C37 K41 L42 T43 Y122 Y160 S161	C37-S39 VanDerWaalsContact C-N 3.31Å; C37-S39 PolarHBondContact O-N 2.96Å; S39-K41 VanDerWaalsContact C-N 3.27Å; S39-K41 PolarHBondContact O-N 3.27Å; S39-L42 PolarHBondContact O-N 3.34Å; S39-T43 PolarHBondContact O-N 3.12Å; S39-T43 PolarHBondContact O-OG1 3.21Å; S39-T43 VanDerWaalsContact O-OG1 3.1Å; S39-Y122 PolarHBondContact N-OH 3.04Å; S39-Y160 WeakPolarHBondContact OG-CD2 3.37Å; S39-S161 PolarHBondContact OG-N 3.25Å
40	I	94.6	Very high	94.2	Very high	128 Å²	128	59.3 Å²	59.3	66%	0.656	31%	0.309	S	S	*	.	H	α-helix	trans	-43.7	-47	-174.8	-59.1	172.5	0	0	0	113.4	L42 T43 I44	I40-L42 PolarHBondContact O-N 3.01Å; I40-T43 PolarHBondContact O-N 3Å; I40-I44 HydrophobicContact CG2-CD1 3.76Å; I40-I44 HydrophobicContact CG2-CG1 4.32Å; I40-I44 WeakPolarHBondContact O-CG1 3.37Å; I40-I44 PolarHBondContact O-N 3.4Å
41	K	96.4	Very high	94.5	Very high	157 Å²	157	58.4 Å²	58.4	68%	0.683	31%	0.307	S	S	*	.	H	α-helix	trans	-58.1	-47.4	179.9	-65.3	-175.1	179.7	-176.4	0	112.5	S39 L45 C159	S39-K41 VanDerWaalsContact C-N 3.27Å; S39-K41 PolarHBondContact O-N 3.27Å; K41-L45 WeakPolarHBondContact O-CB 3.38Å; K41-L45 PolarHBondContact O-N 3.32Å; K41-L45 VanDerWaalsContact O-N 3.14Å; K41-C159 HydrophobicContact CB-CB 3.92Å
42	L	96.5	Very high	94.7	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-71.6	-35.9	176.6	-177.8	63.4	0	0	0	111.4	S39 I40 L45 S46 V53 Y122 A125 C159 Y160	S39-L42 PolarHBondContact O-N 3.34Å; I40-L42 PolarHBondContact O-N 3.01Å; L42-L45 PolarHBondContact O-N 3.42Å; L42-S46 WeakPolarHBondContact O-CB 3.31Å; L42-S46 PolarHBondContact O-N 2.79Å; L42-S46 PolarHBondContact O-OG 2.91Å; L42-S46 VanDerWaalsContact O-OG 3.07Å; L42-V53 HydrophobicContact CD1-CG1 4.48Å; L42-V53 HydrophobicContact CD1-CG2 4.5Å; L42-Y122 HydrophobicContact CB-CD2 4.1Å; L42-Y122 HydrophobicContact CB-CE2 4.02Å; L42-Y122 HydrophobicContact CD2-CD2 3.76Å; L42-Y122 HydrophobicContact CD2-CE2 3.88Å; L42-Y122 HydrophobicContact CD2-CG 4.38Å; L42-Y122 HydrophobicContact CG-CD2 3.7Å; L42-Y122 HydrophobicContact CG-CE2 4.03Å; L42-A125 HydrophobicContact CD1-CB 3.99Å; L42-A125 HydrophobicContact CD2-CB 3.89Å; L42-C159 HydrophobicContact CB-CB 4.17Å; L42-Y160 HydrophobicContact CD2-CD2 4.05Å; L42-Y160 HydrophobicContact CD2-CG 4.49Å
43	T	96.7	Very high	94.9	Very high	35 Å²	35	58.1 Å²	58.1	22%	0.215	31%	0.307	C	S	.	.	H	α-helix	trans	-60.1	-49.7	176.4	-51.6	0	0	0	0	111.4	C37 S39 I40 L45 S46 C47 Y122	C37-T43 HydrophobicContact CB-CG2 3.86Å; C37-T43 PolarHBondContact O-OG1 3.11Å; C37-T43 VanDerWaalsContact O-OG1 3.1Å; S39-T43 PolarHBondContact O-N 3.12Å; S39-T43 PolarHBondContact O-OG1 3.21Å; S39-T43 VanDerWaalsContact O-OG1 3.1Å; I40-T43 PolarHBondContact O-N 3Å; T43-L45 PolarHBondContact O-N 2.83Å; T43-S46 PolarHBondContact O-N 3.03Å; T43-C47 PolarHBondContact O-N 2.73Å; T43-C47 VanDerWaalsContact O-N 3.15Å; T43-C47 PolarHBondContact O-SG 3.49Å; T43-C47 VanDerWaalsContact O-SG 3.41Å; T43-Y122 WeakPolarHBondContact OG1-CE2 3.23Å
44	I	97.2	Very high	95.2	Very high	94 Å²	94	57.1 Å²	57.1	48%	0.482	29%	0.294	S	S	.	.	H	α-helix	trans	-58.3	-48.9	175.1	-68.8	171.8	0	0	0	109.9	I40 S46 C47 F48	I40-I44 HydrophobicContact CG2-CD1 3.76Å; I40-I44 HydrophobicContact CG2-CG1 4.32Å; I40-I44 WeakPolarHBondContact O-CG1 3.37Å; I40-I44 PolarHBondContact O-N 3.4Å; I44-S46 PolarHBondContact O-N 3.22Å; I44-C47 PolarHBondContact O-N 3.13Å; I44-C47 VanDerWaalsContact O-N 3.14Å; I44-F48 HydrophobicContact CG2-CD2 3.87Å; I44-F48 HydrophobicContact CG2-CE2 4.48Å; I44-F48 WeakPolarHBondContact O-CD2 3.33Å; I44-F48 PolarHBondContact O-N 3.29Å
45	L	96.9	Very high	95.5	Very high	42 Å²	42	53.9 Å²	53.9	22%	0.22	28%	0.277	C	S	.	.	H	α-helix	trans	-65.3	-37.2	-177.9	-170.8	67.3	0	0	0	113	K41 L42 T43 C47 C49 V53 I156	K41-L45 WeakPolarHBondContact O-CB 3.38Å; K41-L45 PolarHBondContact O-N 3.32Å; K41-L45 VanDerWaalsContact O-N 3.14Å; L42-L45 PolarHBondContact O-N 3.42Å; T43-L45 PolarHBondContact O-N 2.83Å; L45-C47 VanDerWaalsContact C-N 3.27Å; L45-C47 PolarHBondContact O-N 3.11Å; L45-C49 HydrophobicContact CD1-CB 3.89Å; L45-C49 CarbonylContact O-C 3.09Å; L45-C49 WeakPolarHBondContact O-CA 3.32Å; L45-C49 PolarHBondContact O-N 3.25Å; L45-V53 HydrophobicContact CB-CG2 4.34Å; L45-V53 HydrophobicContact CD2-CG2 4.02Å; L45-V53 HydrophobicContact CG-CG2 3.76Å; L45-I156 HydrophobicContact CD2-CB 4.13Å; L45-I156 HydrophobicContact CD2-CG1 3.9Å; L45-I156 HydrophobicContact CD2-CG2 3.67Å
46	S	96.6	Very high	95.9	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.007	25%	0.252	C	S	.	.	H	α-helix	trans	-67.7	-24.8	174.8	-67.8	0	0	0	0	113.3	L42 T43 I44 S118	L42-S46 WeakPolarHBondContact O-CB 3.31Å; L42-S46 PolarHBondContact O-N 2.79Å; L42-S46 PolarHBondContact O-OG 2.91Å; L42-S46 VanDerWaalsContact O-OG 3.07Å; T43-S46 PolarHBondContact O-N 3.03Å; I44-S46 PolarHBondContact O-N 3.22Å; S46-S118 WeakPolarHBondContact CB-O 3.07Å
47	C	96.1	Very high	96.2	Very high	64 Å²	64	47.4 Å²	47.4	43%	0.432	24%	0.239	S	C	.	.	H	α-helix	trans	-87.1	-41.3	174.6	-67.5	0	0	0	0	113	T43 I44 L45	T43-C47 PolarHBondContact O-N 2.73Å; T43-C47 VanDerWaalsContact O-N 3.15Å; T43-C47 PolarHBondContact O-SG 3.49Å; T43-C47 VanDerWaalsContact O-SG 3.41Å; I44-C47 PolarHBondContact O-N 3.13Å; I44-C47 VanDerWaalsContact O-N 3.14Å; L45-C47 VanDerWaalsContact C-N 3.27Å; L45-C47 PolarHBondContact O-N 3.11Å
48	F	96.6	Very high	96.5	Very high	181 Å²	181	45.6 Å²	45.6	79%	0.794	23%	0.227	S	C	*	.	H	α-helix	trans	-103.1	-21.6	-170.7	-67.7	-76.6	0	0	0	115.1	I44 P50	I44-F48 HydrophobicContact CG2-CD2 3.87Å; I44-F48 HydrophobicContact CG2-CE2 4.48Å; I44-F48 WeakPolarHBondContact O-CD2 3.33Å; I44-F48 PolarHBondContact O-N 3.29Å; F48-P50 VanDerWaalsContact C-CD 3.45Å
49	C	97.2	Very high	96.7	Very high	29 Å²	29	39.8 Å²	39.8	20%	0.196	21%	0.206	C	C	.	.			trans	-131.8	63.9	161.8	-163.5	0	0	0	0	112	L45 C51 C52 V53	L45-C49 HydrophobicContact CD1-CB 3.89Å; L45-C49 CarbonylContact O-C 3.09Å; L45-C49 WeakPolarHBondContact O-CA 3.32Å; L45-C49 PolarHBondContact O-N 3.25Å; C49-C51 PolarHBondContact O-N 3.46Å; C49-C51 PolarHBondContact SG-SG 3.34Å; C49-C52 HydrophobicContact CB-CB 3.7Å; C49-C52 WeakPolarHBondContact CB-SG 3.44Å; C49-C52 VanDerWaalsContact O-CB 3.29Å; C49-C52 WeakPolarHBondContact O-CB 3.46Å; C49-C52 PolarHBondContact O-N 2.89Å; C49-C52 WeakPolarHBondContact SG-CB 3.31Å; C49-C52 PolarHBondContact SG-N 3.15Å; C49-C52 VanDerWaalsContact SG-N 3.36Å; C49-C52 CovalentContact SG-SG 2.03Å; C49-C52 PolarHBondContact SG-SG 3.26Å; C49-V53 PolarHBondContact O-N 3.32Å
50	P	96.9	Very high	96.7	Very high	20 Å²	20	39.9 Å²	39.9	13%	0.13	21%	0.205	C	C	.	.	H	α-helix	trans	-55.5	-32.4	176.8	21.1	-33.7	0	0	0	113.3	F48 V53 F54 Y72 L76 L121	F48-P50 VanDerWaalsContact C-CD 3.45Å; P50-V53 PolarHBondContact O-N 2.97Å; P50-F54 WeakPolarHBondContact O-CB 3.42Å; P50-F54 PolarHBondContact O-N 3.43Å; P50-Y72 HydrophobicContact CB-CE1 4.28Å; P50-L76 HydrophobicContact CB-CD1 4.15Å; P50-L76 HydrophobicContact CG-CD1 3.6Å; P50-L121 HydrophobicContact CB-CD1 3.44Å; P50-L121 VanDerWaalsContact CB-CD1 3.44Å
51	C	97.4	Very high	96.7	Very high	10 Å²	10	34.9 Å²	34.9	7%	0.068	18%	0.179	C	C	.	.	H	α-helix	trans	-66	-40.3	173.3	53.2	0	0	0	0	113.3	C49 V53 F54 G55 C69 Y72 L73	C49-C51 PolarHBondContact O-N 3.46Å; C49-C51 PolarHBondContact SG-SG 3.34Å; C51-V53 VanDerWaalsContact C-N 3.29Å; C51-V53 PolarHBondContact O-N 3Å; C51-F54 PolarHBondContact O-N 2.76Å; C51-G55 PolarHBondContact O-N 3.2Å; C51-C69 VanDerWaalsContact C-SG 3.59Å; C51-C69 WeakPolarHBondContact CB-O 3.31Å; C51-C69 PolarHBondContact O-SG 2.76Å; C51-Y72 HydrophobicContact CB-CD1 4.42Å; C51-L73 HydrophobicContact CB-CB 3.86Å
52	C	97.8	Very high	96.6	Very high	28 Å²	28	33.7 Å²	33.7	19%	0.189	18%	0.18	C	C	.	.	H	α-helix	trans	-57.4	-44.4	172.2	-60.4	0	0	0	0	110.8	C49 S56 I156	C49-C52 HydrophobicContact CB-CB 3.7Å; C49-C52 WeakPolarHBondContact CB-SG 3.44Å; C49-C52 VanDerWaalsContact O-CB 3.29Å; C49-C52 WeakPolarHBondContact O-CB 3.46Å; C49-C52 PolarHBondContact O-N 2.89Å; C49-C52 WeakPolarHBondContact SG-CB 3.31Å; C49-C52 PolarHBondContact SG-N 3.15Å; C49-C52 VanDerWaalsContact SG-N 3.36Å; C49-C52 CovalentContact SG-SG 2.03Å; C49-C52 PolarHBondContact SG-SG 3.26Å; C52-S56 WeakPolarHBondContact O-CB 3.45Å; C52-S56 PolarHBondContact O-N 3.26Å; C52-S56 VanDerWaalsContact O-N 3.15Å; C52-S56 PolarHBondContact O-OG 2.92Å; C52-I156 HydrophobicContact CB-CD1 3.88Å
53	V	98	Very high	96.5	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-70	-44.7	-179.9	-176	0	0	0	0	111.1	L42 L45 C49 P50 C51 G55 S56 I57 L121 A125 I156	L42-V53 HydrophobicContact CD1-CG1 4.48Å; L42-V53 HydrophobicContact CD1-CG2 4.5Å; L45-V53 HydrophobicContact CB-CG2 4.34Å; L45-V53 HydrophobicContact CD2-CG2 4.02Å; L45-V53 HydrophobicContact CG-CG2 3.76Å; C49-V53 PolarHBondContact O-N 3.32Å; P50-V53 PolarHBondContact O-N 2.97Å; C51-V53 VanDerWaalsContact C-N 3.29Å; C51-V53 PolarHBondContact O-N 3Å; V53-G55 PolarHBondContact O-N 3.04Å; V53-S56 WeakPolarHBondContact O-CB 3.49Å; V53-S56 PolarHBondContact O-N 3Å; V53-S56 VanDerWaalsContact O-N 3.13Å; V53-I57 HydrophobicContact CG1-CD1 3.84Å; V53-I57 HydrophobicContact CG1-CG1 4.45Å; V53-I57 WeakPolarHBondContact O-CD1 3.4Å; V53-I57 WeakPolarHBondContact O-CG1 3.39Å; V53-I57 PolarHBondContact O-N 3.41Å; V53-L121 HydrophobicContact CG1-CB 4.06Å; V53-A125 HydrophobicContact CG1-CB 3.88Å; V53-I156 HydrophobicContact CG2-CG2 4.26Å
54	F	98.2	Very high	96.4	Very high	10 Å²	10	39.9 Å²	39.9	4%	0.044	21%	0.21	C	C	.	.	H	α-helix	trans	-58.8	-48.4	176.1	-174.9	-90.1	0	0	0	111.9	P50 C51 S56 I57 T58 C68 Y72 L88 C92 L121	P50-F54 WeakPolarHBondContact O-CB 3.42Å; P50-F54 PolarHBondContact O-N 3.43Å; C51-F54 PolarHBondContact O-N 2.76Å; F54-S56 PolarHBondContact O-N 3.49Å; F54-I57 PolarHBondContact O-N 3.05Å; F54-I57 VanDerWaalsContact O-N 3.15Å; F54-T58 HydrophobicContact CD1-CG2 4Å; F54-T58 HydrophobicContact CE1-CG2 3.62Å; F54-T58 HydrophobicContact CE2-CG2 4.49Å; F54-T58 HydrophobicContact CZ-CG2 3.9Å; F54-T58 PolarHBondContact O-N 3.01Å; F54-T58 PolarHBondContact O-OG1 3.23Å; F54-C68 HydrophobicContact CD1-CB 4.32Å; F54-C68 WeakPolarHBondContact CD1-O 3.29Å; F54-C68 HydrophobicContact CE1-CB 4.21Å; F54-Y72 HydrophobicContact CB-CD1 3.8Å; F54-Y72 HydrophobicContact CB-CD2 4.22Å; F54-Y72 HydrophobicContact CB-CE1 4.29Å; F54-Y72 HydrophobicContact CB-CG 3.76Å; F54-Y72 AromaticContact CD1-CD2 3.78Å; F54-Y72 HydrophobicContact CD1-CD2 3.78Å; F54-Y72 AromaticContact CD1-CG 3.74Å; F54-Y72 HydrophobicContact CD1-CG 3.74Å; F54-Y72 HydrophobicContact CD2-CD1 4.4Å; F54-Y72 AromaticContact CD2-CD2 3.42Å; F54-Y72 HydrophobicContact CD2-CD2 3.42Å; F54-Y72 VanDerWaalsContact CD2-CD2 3.42Å; F54-Y72 HydrophobicContact CD2-CE1 4.48Å; F54-Y72 AromaticContact CD2-CE2 3.55Å; F54-Y72 HydrophobicContact CD2-CE2 3.55Å; F54-Y72 AromaticContact CD2-CG 3.89Å; F54-Y72 HydrophobicContact CD2-CG 3.89Å; F54-Y72 AromaticContact CE1-CD2 3.89Å; F54-Y72 HydrophobicContact CE1-CD2 3.89Å; F54-Y72 HydrophobicContact CE1-CG 4.25Å; F54-Y72 AromaticContact CE2-CD2 3.55Å; F54-Y72 HydrophobicContact CE2-CD2 3.55Å; F54-Y72 AromaticContact CE2-CE2 3.69Å; F54-Y72 HydrophobicContact CE2-CE2 3.69Å; F54-Y72 HydrophobicContact CE2-CG 4.39Å; F54-Y72 HydrophobicContact CG-CD1 4.05Å; F54-Y72 AromaticContact CG-CD2 3.54Å; F54-Y72 HydrophobicContact CG-CD2 3.54Å; F54-Y72 HydrophobicContact CG-CE2 4.09Å; F54-Y72 AromaticContact CG-CG 3.52Å; F54-Y72 HydrophobicContact CG-CG 3.52Å; F54-Y72 AromaticContact CZ-CD2 3.79Å; F54-Y72 HydrophobicContact CZ-CD2 3.79Å; F54-Y72 HydrophobicContact CZ-CE2 4.34Å; F54-L88 HydrophobicContact CE2-CB 4.31Å; F54-L88 HydrophobicContact CZ-CB 4.15Å; F54-C92 HydrophobicContact CD2-CB 4.39Å; F54-C92 HydrophobicContact CE2-CB 3.52Å; F54-C92 HydrophobicContact CZ-CB 4.05Å; F54-L121 HydrophobicContact CB-CD2 3.95Å; F54-L121 HydrophobicContact CD2-CD2 3.99Å; F54-L121 HydrophobicContact CG-CD2 4.49Å
55	G	97.6	Very high	96.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-55.8	-40	174.5	0	0	0	0	0	112.5	C51 V53 T58 Q59 W65	C51-G55 PolarHBondContact O-N 3.2Å; V53-G55 PolarHBondContact O-N 3.04Å; G55-T58 WeakPolarHBondContact CA-OG1 3.24Å; G55-T58 PolarHBondContact O-N 3.23Å; G55-T58 PolarHBondContact O-OG1 2.71Å; G55-Q59 VanDerWaalsContact O-CB 3.31Å; G55-Q59 WeakPolarHBondContact O-CB 3.28Å; G55-Q59 PolarHBondContact O-N 3.05Å; G55-W65 VanDerWaalsContact O-CD1 3.29Å
56	S	97.3	Very high	96.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-71.8	-30.9	179.5	-53.9	0	0	0	0	113.7	C52 V53 F54 W65 G153 I156	C52-S56 WeakPolarHBondContact O-CB 3.45Å; C52-S56 PolarHBondContact O-N 3.26Å; C52-S56 VanDerWaalsContact O-N 3.15Å; C52-S56 PolarHBondContact O-OG 2.92Å; V53-S56 WeakPolarHBondContact O-CB 3.49Å; V53-S56 PolarHBondContact O-N 3Å; V53-S56 VanDerWaalsContact O-N 3.13Å; F54-S56 PolarHBondContact O-N 3.49Å; S56-W65 PolarHBondContact OG-NE1 2.94Å; S56-G153 WeakPolarHBondContact OG-CA 3.32Å; S56-I156 WeakPolarHBondContact OG-CD1 3.43Å; S56-I156 WeakPolarHBondContact OG-CG2 3.48Å
57	I	97.6	Very high	96.3	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-72	-47.8	171.8	-67.5	156.9	0	0	0	110.3	V53 F54 Q59 E60 M61 C92 L96 L121 A125 I128	V53-I57 HydrophobicContact CG1-CD1 3.84Å; V53-I57 HydrophobicContact CG1-CG1 4.45Å; V53-I57 WeakPolarHBondContact O-CD1 3.4Å; V53-I57 WeakPolarHBondContact O-CG1 3.39Å; V53-I57 PolarHBondContact O-N 3.41Å; F54-I57 PolarHBondContact O-N 3.05Å; F54-I57 VanDerWaalsContact O-N 3.15Å; I57-Q59 VanDerWaalsContact C-N 3.27Å; I57-Q59 PolarHBondContact O-N 3.08Å; I57-E60 WeakPolarHBondContact O-CB 3.24Å; I57-E60 PolarHBondContact O-N 3.35Å; I57-E60 VanDerWaalsContact O-N 3.12Å; I57-M61 HydrophobicContact CG2-CE 4.34Å; I57-C92 VanDerWaalsContact CG2-SG 3.57Å; I57-L96 HydrophobicContact CG2-CD1 4.37Å; I57-L96 HydrophobicContact CG2-CD2 4.23Å; I57-L121 HydrophobicContact CD1-CB 4.48Å; I57-L121 HydrophobicContact CD1-CD2 3.81Å; I57-A125 HydrophobicContact CD1-CB 4.33Å; I57-A125 HydrophobicContact CG1-CB 4.2Å; I57-I128 HydrophobicContact CB-CD1 3.98Å; I57-I128 HydrophobicContact CG1-CD1 3.92Å; I57-I128 HydrophobicContact CG2-CD1 3.85Å
58	T	96.9	Very high	96.4	Very high	8 Å²	8	40.6 Å²	40.6	5%	0.049	21%	0.212	C	C	.	.	H	α-helix	trans	-66.3	-29	-178.8	49.6	0	0	0	0	112.9	F54 G55 E60 M61 Y63 C68	F54-T58 HydrophobicContact CD1-CG2 4Å; F54-T58 HydrophobicContact CE1-CG2 3.62Å; F54-T58 HydrophobicContact CE2-CG2 4.49Å; F54-T58 HydrophobicContact CZ-CG2 3.9Å; F54-T58 PolarHBondContact O-N 3.01Å; F54-T58 PolarHBondContact O-OG1 3.23Å; G55-T58 WeakPolarHBondContact CA-OG1 3.24Å; G55-T58 PolarHBondContact O-N 3.23Å; G55-T58 PolarHBondContact O-OG1 2.71Å; T58-E60 VanDerWaalsContact C-N 3.27Å; T58-E60 PolarHBondContact O-N 2.81Å; T58-M61 HydrophobicContact CG2-CE 4.24Å; T58-M61 CarbonylContact O-C 3.29Å; T58-M61 WeakPolarHBondContact O-CA 3.23Å; T58-M61 PolarHBondContact O-N 3.26Å; T58-Y63 WeakPolarHBondContact O-CB 3.04Å; T58-Y63 PolarHBondContact O-N 2.68Å; T58-Y63 VanDerWaalsContact O-N 3.14Å; T58-C68 HydrophobicContact CG2-CB 4.23Å; T58-C68 WeakPolarHBondContact OG1-CB 3.36Å
59	Q	95.4	Very high	96.4	Very high	18 Å²	18	32.8 Å²	32.8	8%	0.084	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-66.7	-22.4	173.8	-169	-160.2	-92.7	0	0	113.7	G55 I57 D62 Y63 W65 F149	G55-Q59 VanDerWaalsContact O-CB 3.31Å; G55-Q59 WeakPolarHBondContact O-CB 3.28Å; G55-Q59 PolarHBondContact O-N 3.05Å; I57-Q59 VanDerWaalsContact C-N 3.27Å; I57-Q59 PolarHBondContact O-N 3.08Å; Q59-D62 PolarHBondContact O-N 2.91Å; Q59-Y63 WeakPolarHBondContact CA-O 3.26Å; Q59-W65 HydrophobicContact CB-CB 4.43Å; Q59-W65 HydrophobicContact CG-CB 4.39Å; Q59-F149 VanDerWaalsContact OE1-C 3.25Å; Q59-F149 PolarHBondContact OE1-O 3.36Å
60	E	94	Very high	96.4	Very high	11 Å²	11	36.1 Å²	36.1	5%	0.051	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-76.4	-12.9	171.1	-174.5	69.2	-161.8	0	0	112.2	I57 T58 Y100 I128 R132 Y144	I57-E60 WeakPolarHBondContact O-CB 3.24Å; I57-E60 PolarHBondContact O-N 3.35Å; I57-E60 VanDerWaalsContact O-N 3.12Å; T58-E60 VanDerWaalsContact C-N 3.27Å; T58-E60 PolarHBondContact O-N 2.81Å; E60-Y100 VanDerWaalsContact CD-OH 3.23Å; E60-Y100 HydrophobicContact CG-CE2 4.46Å; E60-Y100 WeakPolarHBondContact CG-OH 3.43Å; E60-Y100 PolarHBondContact OE1-OH 3.01Å; E60-I128 HydrophobicContact CB-CD1 3.95Å; E60-I128 HydrophobicContact CB-CG1 4.36Å; E60-I128 HydrophobicContact CB-CG2 4.14Å; E60-I128 HydrophobicContact CG-CD1 4.23Å; E60-I128 HydrophobicContact CG-CG1 4.07Å; E60-I128 HydrophobicContact CG-CG2 3.72Å; E60-R132 IonicContact OE2-CZ 2.76Å; E60-R132 IonicContact OE2-NE 3.13Å; E60-R132 PolarHBondContact OE2-NE 3.34Å; E60-R132 IonicContact OE2-NH2 3.17Å; E60-R132 PolarHBondContact OE2-NH2 3.06Å; E60-Y144 PolarHBondContact OE1-OH 3.29Å; E60-Y144 WeakPolarHBondContact OE2-CE1 3.31Å; E60-Y144 PolarHBondContact OE2-OH 3.13Å
61	M	93.9	Very high	96.5	Very high	23 Å²	23	37.5 Å²	37.5	11%	0.113	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-107.2	26.7	172.9	-57.4	179.1	-70.8	0	0	110.8	I57 T58 Y63 R95 L96	I57-M61 HydrophobicContact CG2-CE 4.34Å; T58-M61 HydrophobicContact CG2-CE 4.24Å; T58-M61 CarbonylContact O-C 3.29Å; T58-M61 WeakPolarHBondContact O-CA 3.23Å; T58-M61 PolarHBondContact O-N 3.26Å; M61-Y63 VanDerWaalsContact C-N 3.26Å; M61-Y63 HydrophobicContact CB-CD2 3.9Å; M61-Y63 HydrophobicContact CB-CE2 3.99Å; M61-Y63 WeakPolarHBondContact O-CD2 3.26Å; M61-Y63 WeakPolarHBondContact O-CE2 3.43Å; M61-Y63 PolarHBondContact O-N 3.09Å; M61-R95 HydrophobicContact CE-CB 4.27Å; M61-R95 HydrophobicContact SD-CB 3.53Å; M61-R95 VanDerWaalsContact SD-CB 3.53Å; M61-L96 HydrophobicContact SD-CB 4.22Å; M61-L96 HydrophobicContact SD-CD1 4.28Å; M61-L96 PolarHBondContact SD-N 3.44Å
62	D	93.3	Very high	96.4	Very high	132 Å²	132	37 Å²	37	71%	0.706	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.7	20.4	178.1	-59.6	-56.3	0	0	0	116.8	Q59	Q59-D62 PolarHBondContact O-N 2.91Å
63	Y	94.8	Very high	96.4	Very high	91 Å²	91	38.7 Å²	38.7	36%	0.357	21%	0.208	S	C	.	.			trans	-82.9	146.4	171.6	-66.7	-92.2	0	0	0	112.5	T58 Q59 M61 W65 R95	T58-Y63 WeakPolarHBondContact O-CB 3.04Å; T58-Y63 PolarHBondContact O-N 2.68Å; T58-Y63 VanDerWaalsContact O-N 3.14Å; Q59-Y63 WeakPolarHBondContact CA-O 3.26Å; M61-Y63 VanDerWaalsContact C-N 3.26Å; M61-Y63 HydrophobicContact CB-CD2 3.9Å; M61-Y63 HydrophobicContact CB-CE2 3.99Å; M61-Y63 WeakPolarHBondContact O-CD2 3.26Å; M61-Y63 WeakPolarHBondContact O-CE2 3.43Å; M61-Y63 PolarHBondContact O-N 3.09Å; Y63-W65 PolarHBondContact O-N 3.29Å; Y63-W65 VanDerWaalsContact O-N 3.14Å; Y63-R95 PolarHBondContact OH-NH1 2.85Å; Y63-R95 VanDerWaalsContact OH-NH1 3.08Å
64	P	95	Very high	96.4	Very high	74 Å²	74	42.7 Å²	42.7	48%	0.481	23%	0.229	S	C	.	.			trans	-66.4	111.6	179.2	24.2	-32.7	0	0	0	112.4	C66 I67 C68	P64-C66 VanDerWaalsContact C-N 3.35Å; P64-C66 PolarHBondContact O-N 3.24Å; P64-I67 HydrophobicContact CB-CD1 4.28Å; P64-I67 HydrophobicContact CB-CG1 4.4Å; P64-I67 HydrophobicContact CG-CB 4.16Å; P64-I67 HydrophobicContact CG-CD1 3.88Å; P64-I67 HydrophobicContact CG-CG1 4.26Å; P64-I67 PolarHBondContact O-N 3.06Å; P64-C68 PolarHBondContact O-N 2.93Å; P64-C68 VanDerWaalsContact O-N 3.16Å
65	W	95.9	Very high	96.3	Very high	31 Å²	31	42.4 Å²	42.4	12%	0.117	23%	0.229	C	C	.	.	H	α-helix	trans	-45.9	-49.3	-174.5	-174.6	95.1	0	0	0	114.2	G55 S56 Q59 Y63 I67 C68 C69 F149 I152 I156	G55-W65 VanDerWaalsContact O-CD1 3.29Å; S56-W65 PolarHBondContact OG-NE1 2.94Å; Q59-W65 HydrophobicContact CB-CB 4.43Å; Q59-W65 HydrophobicContact CG-CB 4.39Å; Y63-W65 PolarHBondContact O-N 3.29Å; Y63-W65 VanDerWaalsContact O-N 3.14Å; W65-I67 PolarHBondContact O-N 3.34Å; W65-C68 PolarHBondContact O-N 2.87Å; W65-C69 HydrophobicContact CE3-CB 4.36Å; W65-C69 HydrophobicContact CH2-CB 4.41Å; W65-C69 HydrophobicContact CZ3-CB 4.31Å; W65-C69 WeakPolarHBondContact O-CB 3.26Å; W65-C69 PolarHBondContact O-N 3.3Å; W65-F149 HydrophobicContact CB-CB 3.91Å; W65-F149 AromaticContact CE3-CD1 3.89Å; W65-F149 HydrophobicContact CE3-CD1 3.89Å; W65-F149 HydrophobicContact CE3-CG 4.48Å; W65-F149 HydrophobicContact CG-CB 4.32Å; W65-F149 HydrophobicContact CZ3-CD1 4.41Å; W65-I152 HydrophobicContact CH2-CG2 3.96Å; W65-I152 HydrophobicContact CZ2-CG2 3.54Å; W65-I156 HydrophobicContact CZ2-CD1 4.14Å
66	C	96.3	Very high	96.2	Very high	54 Å²	54	44.6 Å²	44.6	37%	0.365	24%	0.24	S	C	.	.	H	α-helix	trans	-61.9	-43.1	-178.8	-90.2	0	0	0	0	113.1	P64 C69 L70 F149	P64-C66 VanDerWaalsContact C-N 3.35Å; P64-C66 PolarHBondContact O-N 3.24Å; C66-C69 PolarHBondContact O-N 3.1Å; C66-L70 VanDerWaalsContact O-CB 3.26Å; C66-L70 WeakPolarHBondContact O-CB 3.28Å; C66-L70 PolarHBondContact O-N 3.14Å; C66-F149 WeakPolarHBondContact SG-CE1 3.39Å; C66-F149 VanDerWaalsContact SG-CZ 3.51Å
67	I	97.1	Very high	96.1	Very high	116 Å²	116	52 Å²	52	60%	0.595	27%	0.273	S	S	*	.	H	α-helix	trans	-69.4	-42.3	-177.7	-59.3	179.9	0	0	0	109.7	P64 W65 S71	P64-I67 HydrophobicContact CB-CD1 4.28Å; P64-I67 HydrophobicContact CB-CG1 4.4Å; P64-I67 HydrophobicContact CG-CB 4.16Å; P64-I67 HydrophobicContact CG-CD1 3.88Å; P64-I67 HydrophobicContact CG-CG1 4.26Å; P64-I67 PolarHBondContact O-N 3.06Å; W65-I67 PolarHBondContact O-N 3.34Å; I67-S71 VanDerWaalsContact O-CB 3.27Å; I67-S71 WeakPolarHBondContact O-CB 3.37Å; I67-S71 PolarHBondContact O-N 3.08Å; I67-S71 PolarHBondContact O-OG 2.87Å; I67-S71 VanDerWaalsContact O-OG 3.11Å
68	C	97.3	Very high	96	Very high	16 Å²	16	55.4 Å²	55.4	11%	0.108	29%	0.29	C	S	.	.	H	α-helix	trans	-70.3	-35.8	176.6	-67.9	0	0	0	0	113.2	F54 T58 P64 W65 S71 Y72	F54-C68 HydrophobicContact CD1-CB 4.32Å; F54-C68 WeakPolarHBondContact CD1-O 3.29Å; F54-C68 HydrophobicContact CE1-CB 4.21Å; T58-C68 HydrophobicContact CG2-CB 4.23Å; T58-C68 WeakPolarHBondContact OG1-CB 3.36Å; P64-C68 PolarHBondContact O-N 2.93Å; P64-C68 VanDerWaalsContact O-N 3.16Å; W65-C68 PolarHBondContact O-N 2.87Å; C68-S71 PolarHBondContact O-OG 2.76Å; C68-Y72 WeakPolarHBondContact O-CB 3.45Å; C68-Y72 PolarHBondContact O-N 2.8Å; C68-Y72 VanDerWaalsContact O-N 3.08Å
69	C	97.3	Very high	95.7	Very high	16 Å²	16	56.2 Å²	56.2	11%	0.108	30%	0.296	C	S	.	.	H	α-helix	trans	-63.1	-50.9	173	-176.2	0	0	0	0	110.7	C51 W65 C66 Y72 L73	C51-C69 VanDerWaalsContact C-SG 3.59Å; C51-C69 WeakPolarHBondContact CB-O 3.31Å; C51-C69 PolarHBondContact O-SG 2.76Å; W65-C69 HydrophobicContact CE3-CB 4.36Å; W65-C69 HydrophobicContact CH2-CB 4.41Å; W65-C69 HydrophobicContact CZ3-CB 4.31Å; W65-C69 WeakPolarHBondContact O-CB 3.26Å; W65-C69 PolarHBondContact O-N 3.3Å; C66-C69 PolarHBondContact O-N 3.1Å; C69-Y72 PolarHBondContact O-N 2.89Å; C69-L73 WeakPolarHBondContact O-CB 3.1Å; C69-L73 PolarHBondContact O-N 3.36Å
70	L	97.6	Very high	95.4	Very high	99 Å²	99	60.7 Å²	60.7	52%	0.518	33%	0.327	S	S	.	.	H	α-helix	trans	-64.3	-43	179.1	-177.7	60.9	0	0	0	112.3	C66 Y72 L73 I74	C66-L70 VanDerWaalsContact O-CB 3.26Å; C66-L70 WeakPolarHBondContact O-CB 3.28Å; C66-L70 PolarHBondContact O-N 3.14Å; L70-Y72 VanDerWaalsContact C-N 3.35Å; L70-Y72 PolarHBondContact O-N 2.82Å; L70-L73 WeakPolarHBondContact O-CB 3.38Å; L70-L73 PolarHBondContact O-N 3.3Å; L70-I74 HydrophobicContact CD1-CD1 4.15Å; L70-I74 HydrophobicContact CD1-CG1 4.38Å; L70-I74 HydrophobicContact CG-CD1 3.96Å; L70-I74 VanDerWaalsContact O-CG1 3.31Å; L70-I74 WeakPolarHBondContact O-CG1 3.41Å; L70-I74 PolarHBondContact O-N 2.66Å
71	S	97.2	Very high	95.3	Very high	49 Å²	49	66.8 Å²	66.8	34%	0.343	36%	0.358	S	S	.	.	H	α-helix	trans	-66.1	-36.2	179.1	70.3	0	0	0	0	112.5	I67 C68 A75	I67-S71 VanDerWaalsContact O-CB 3.27Å; I67-S71 WeakPolarHBondContact O-CB 3.37Å; I67-S71 PolarHBondContact O-N 3.08Å; I67-S71 PolarHBondContact O-OG 2.87Å; I67-S71 VanDerWaalsContact O-OG 3.11Å; C68-S71 PolarHBondContact O-OG 2.76Å; S71-A75 WeakPolarHBondContact O-CB 3.32Å; S71-A75 PolarHBondContact O-N 2.78Å
72	Y	97.3	Very high	95.1	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-72.5	-35.9	173.8	-157.6	-100.7	0	0	0	112.2	P50 C51 F54 C68 C69 L70 A75 L76 H85 L88 L121	P50-Y72 HydrophobicContact CB-CE1 4.28Å; C51-Y72 HydrophobicContact CB-CD1 4.42Å; F54-Y72 HydrophobicContact CB-CD1 3.8Å; F54-Y72 HydrophobicContact CB-CD2 4.22Å; F54-Y72 HydrophobicContact CB-CE1 4.29Å; F54-Y72 HydrophobicContact CB-CG 3.76Å; F54-Y72 AromaticContact CD1-CD2 3.78Å; F54-Y72 HydrophobicContact CD1-CD2 3.78Å; F54-Y72 AromaticContact CD1-CG 3.74Å; F54-Y72 HydrophobicContact CD1-CG 3.74Å; F54-Y72 HydrophobicContact CD2-CD1 4.4Å; F54-Y72 AromaticContact CD2-CD2 3.42Å; F54-Y72 HydrophobicContact CD2-CD2 3.42Å; F54-Y72 VanDerWaalsContact CD2-CD2 3.42Å; F54-Y72 HydrophobicContact CD2-CE1 4.48Å; F54-Y72 AromaticContact CD2-CE2 3.55Å; F54-Y72 HydrophobicContact CD2-CE2 3.55Å; F54-Y72 AromaticContact CD2-CG 3.89Å; F54-Y72 HydrophobicContact CD2-CG 3.89Å; F54-Y72 AromaticContact CE1-CD2 3.89Å; F54-Y72 HydrophobicContact CE1-CD2 3.89Å; F54-Y72 HydrophobicContact CE1-CG 4.25Å; F54-Y72 AromaticContact CE2-CD2 3.55Å; F54-Y72 HydrophobicContact CE2-CD2 3.55Å; F54-Y72 AromaticContact CE2-CE2 3.69Å; F54-Y72 HydrophobicContact CE2-CE2 3.69Å; F54-Y72 HydrophobicContact CE2-CG 4.39Å; F54-Y72 HydrophobicContact CG-CD1 4.05Å; F54-Y72 AromaticContact CG-CD2 3.54Å; F54-Y72 HydrophobicContact CG-CD2 3.54Å; F54-Y72 HydrophobicContact CG-CE2 4.09Å; F54-Y72 AromaticContact CG-CG 3.52Å; F54-Y72 HydrophobicContact CG-CG 3.52Å; F54-Y72 AromaticContact CZ-CD2 3.79Å; F54-Y72 HydrophobicContact CZ-CD2 3.79Å; F54-Y72 HydrophobicContact CZ-CE2 4.34Å; C68-Y72 WeakPolarHBondContact O-CB 3.45Å; C68-Y72 PolarHBondContact O-N 2.8Å; C68-Y72 VanDerWaalsContact O-N 3.08Å; C69-Y72 PolarHBondContact O-N 2.89Å; L70-Y72 VanDerWaalsContact C-N 3.35Å; L70-Y72 PolarHBondContact O-N 2.82Å; Y72-A75 PolarHBondContact O-N 3.46Å; Y72-L76 HydrophobicContact CD1-CD1 3.64Å; Y72-L76 HydrophobicContact CD1-CG 4.04Å; Y72-L76 HydrophobicContact CE1-CD1 3.75Å; Y72-L76 HydrophobicContact CE1-CD2 4.11Å; Y72-L76 HydrophobicContact CE1-CG 3.96Å; Y72-L76 VanDerWaalsContact O-CG 3.26Å; Y72-L76 WeakPolarHBondContact O-CG 3.43Å; Y72-L76 PolarHBondContact O-N 2.9Å; Y72-H85 HydrophobicContact CE2-CB 4.19Å; Y72-H85 PolarHBondContact OH-O 3.01Å; Y72-L88 HydrophobicContact CD2-CB 3.95Å; Y72-L88 HydrophobicContact CD2-CD1 3.95Å; Y72-L88 HydrophobicContact CE2-CB 3.91Å; Y72-L121 HydrophobicContact CE1-CD1 4.19Å
73	L	97.3	Very high	95.1	Very high	63 Å²	63	70.9 Å²	70.9	33%	0.33	37%	0.369	S	S	.	.	H	α-helix	trans	-60.8	-46	172.5	-179.1	59.6	0	0	0	111.4	C51 C69 L70 L76 F77	C51-L73 HydrophobicContact CB-CB 3.86Å; C69-L73 WeakPolarHBondContact O-CB 3.1Å; C69-L73 PolarHBondContact O-N 3.36Å; L70-L73 WeakPolarHBondContact O-CB 3.38Å; L70-L73 PolarHBondContact O-N 3.3Å; L73-L76 PolarHBondContact O-N 2.79Å; L73-F77 HydrophobicContact CD1-CD2 4.01Å; L73-F77 HydrophobicContact CD1-CE2 3.53Å; L73-F77 HydrophobicContact CD1-CZ 4.33Å; L73-F77 HydrophobicContact CD2-CE2 4.37Å; L73-F77 HydrophobicContact CG-CD2 4.02Å; L73-F77 HydrophobicContact CG-CE2 3.74Å; L73-F77 VanDerWaalsContact O-CD2 3.27Å; L73-F77 WeakPolarHBondContact O-CD2 3.34Å; L73-F77 PolarHBondContact O-N 3.26Å
74	I	97	Very high	95	Very high	85 Å²	85	69.3 Å²	69.3	44%	0.436	37%	0.366	S	S	.	.	H	α-helix	trans	-61.9	-44.1	174.2	-67.5	164.9	0	0	0	110.7	L70 L76 F77 L78	L70-I74 HydrophobicContact CD1-CD1 4.15Å; L70-I74 HydrophobicContact CD1-CG1 4.38Å; L70-I74 HydrophobicContact CG-CD1 3.96Å; L70-I74 VanDerWaalsContact O-CG1 3.31Å; L70-I74 WeakPolarHBondContact O-CG1 3.41Å; L70-I74 PolarHBondContact O-N 2.66Å; I74-L76 PolarHBondContact O-N 2.84Å; I74-F77 PolarHBondContact O-N 3.3Å; I74-L78 HydrophobicContact CG2-CD1 3.83Å; I74-L78 HydrophobicContact CG2-CG 4.3Å; I74-L78 WeakPolarHBondContact O-CB 3.49Å; I74-L78 WeakPolarHBondContact O-CG 3.19Å; I74-L78 PolarHBondContact O-N 2.74Å
75	A	95.8	Very high	95	Very high	4 Å²	4	66.9 Å²	66.9	3%	0.033	35%	0.348	C	S	.	.	H	α-helix	trans	-65.9	-24	178	0	0	0	0	0	114.1	S71 Y72 S79 I84 H85 L88	S71-A75 WeakPolarHBondContact O-CB 3.32Å; S71-A75 PolarHBondContact O-N 2.78Å; Y72-A75 PolarHBondContact O-N 3.46Å; A75-S79 PolarHBondContact O-N 3.14Å; A75-I84 HydrophobicContact CB-CB 4.12Å; A75-I84 HydrophobicContact CB-CG2 3.86Å; A75-H85 HydrophobicContact CB-CB 4.31Å; A75-L88 HydrophobicContact CB-CD1 3.5Å; A75-L88 VanDerWaalsContact CB-CD1 3.5Å
76	L	95.5	Very high	95	Very high	45 Å²	45	65.5 Å²	65.5	24%	0.236	34%	0.343	C	S	.	.	H	α-helix	trans	-77.1	-43.5	170.6	-71.7	165.1	0	0	0	111.4	P50 Y72 L73 I74 L78 S79 H85	P50-L76 HydrophobicContact CB-CD1 4.15Å; P50-L76 HydrophobicContact CG-CD1 3.6Å; Y72-L76 HydrophobicContact CD1-CD1 3.64Å; Y72-L76 HydrophobicContact CD1-CG 4.04Å; Y72-L76 HydrophobicContact CE1-CD1 3.75Å; Y72-L76 HydrophobicContact CE1-CD2 4.11Å; Y72-L76 HydrophobicContact CE1-CG 3.96Å; Y72-L76 VanDerWaalsContact O-CG 3.26Å; Y72-L76 WeakPolarHBondContact O-CG 3.43Å; Y72-L76 PolarHBondContact O-N 2.9Å; L73-L76 PolarHBondContact O-N 2.79Å; I74-L76 PolarHBondContact O-N 2.84Å; L76-L78 VanDerWaalsContact C-N 3.31Å; L76-L78 PolarHBondContact O-N 3.33Å; L76-S79 WeakPolarHBondContact O-CB 3.04Å; L76-S79 PolarHBondContact O-N 3.19Å; L76-S79 VanDerWaalsContact O-N 3.1Å; L76-H85 HydrophobicContact CD2-CB 4.06Å; L76-H85 HydrophobicContact CG-CB 4.46Å
77	F	95.6	Very high	95	Very high	157 Å²	157	68.9 Å²	68.9	69%	0.689	35%	0.352	S	S	*	.	H	α-helix	trans	-63.1	-35.4	173.9	-79	-61.7	0	0	0	113	L73 I74 S79 P80	L73-F77 HydrophobicContact CD1-CD2 4.01Å; L73-F77 HydrophobicContact CD1-CE2 3.53Å; L73-F77 HydrophobicContact CD1-CZ 4.33Å; L73-F77 HydrophobicContact CD2-CE2 4.37Å; L73-F77 HydrophobicContact CG-CD2 4.02Å; L73-F77 HydrophobicContact CG-CE2 3.74Å; L73-F77 VanDerWaalsContact O-CD2 3.27Å; L73-F77 WeakPolarHBondContact O-CD2 3.34Å; L73-F77 PolarHBondContact O-N 3.26Å; I74-F77 PolarHBondContact O-N 3.3Å; F77-S79 VanDerWaalsContact C-N 3.31Å; F77-P80 WeakPolarHBondContact O-CD 3.38Å
78	L	95.5	Very high	95	Very high	72 Å²	72	65.7 Å²	65.7	38%	0.377	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-7.8	174.3	-64.3	177.5	0	0	0	113.6	I74 L76 I81 I82	I74-L78 HydrophobicContact CG2-CD1 3.83Å; I74-L78 HydrophobicContact CG2-CG 4.3Å; I74-L78 WeakPolarHBondContact O-CB 3.49Å; I74-L78 WeakPolarHBondContact O-CG 3.19Å; I74-L78 PolarHBondContact O-N 2.74Å; L76-L78 VanDerWaalsContact C-N 3.31Å; L76-L78 PolarHBondContact O-N 3.33Å; L78-I81 PolarHBondContact O-N 3.22Å; L78-I82 PolarHBondContact O-N 2.98Å
79	S	91.7	Very high	94.9	Very high	25 Å²	25	65 Å²	65	18%	0.175	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-37.3	-175.8	-170.1	0	0	0	0	116.8	A75 L76 F77 I81 I82 W83 H85	A75-S79 PolarHBondContact O-N 3.14Å; L76-S79 WeakPolarHBondContact O-CB 3.04Å; L76-S79 PolarHBondContact O-N 3.19Å; L76-S79 VanDerWaalsContact O-N 3.1Å; F77-S79 VanDerWaalsContact C-N 3.31Å; S79-I81 PolarHBondContact O-N 3.04Å; S79-I82 WeakPolarHBondContact CA-O 3.46Å; S79-W83 VanDerWaalsContact O-CD1 3.27Å; S79-H85 PolarHBondContact OG-CE1 3.14Å; S79-H85 PolarHBondContact OG-ND1 3.38Å
80	P	88.7	Confident	94.9	Very high	112 Å²	112	64.6 Å²	64.6	73%	0.727	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-17.6	178.8	26.5	-34.1	0	0	0	113.2	F77	F77-P80 WeakPolarHBondContact O-CD 3.38Å
81	I	91.1	Very high	94.9	Very high	138 Å²	138	62.7 Å²	62.7	71%	0.708	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-45.4	178.6	-49.7	176.2	0	0	0	110.3	L78 S79	L78-I81 PolarHBondContact O-N 3.22Å; S79-I81 PolarHBondContact O-N 3.04Å
82	I	89.4	Confident	94.8	Very high	94 Å²	94	60.6 Å²	60.6	48%	0.482	31%	0.309	S	S	.	.			trans	-139.9	123.9	-175	-39.9	177.1	0	0	0	108.9	L78 S79 I84	L78-I82 PolarHBondContact O-N 2.98Å; S79-I82 WeakPolarHBondContact CA-O 3.46Å; I82-I84 HydrophobicContact CB-CD1 4.03Å; I82-I84 HydrophobicContact CB-CG1 3.86Å; I82-I84 HydrophobicContact CD1-CD1 4.36Å; I82-I84 HydrophobicContact CG2-CD1 4.01Å; I82-I84 HydrophobicContact CG2-CG1 3.56Å; I82-I84 PolarHBondContact O-N 3.08Å
83	W	93.1	Very high	94.8	Very high	148 Å²	148	60.9 Å²	60.9	56%	0.561	31%	0.31	S	S	*	.			trans	-75.9	38.8	-173.8	-64	8	0	0	0	113.8	S79 H85 V86 F87 L114	S79-W83 VanDerWaalsContact O-CD1 3.27Å; W83-H85 PolarHBondContact O-N 3.4Å; W83-V86 HydrophobicContact CB-CG2 4.14Å; W83-V86 WeakPolarHBondContact O-CB 3.01Å; W83-V86 PolarHBondContact O-N 3.12Å; W83-F87 WeakPolarHBondContact O-CD2 3.03Å; W83-L114 HydrophobicContact CE3-CD1 3.79Å; W83-L114 HydrophobicContact CH2-CD1 4.45Å; W83-L114 HydrophobicContact CZ3-CD1 3.52Å
84	I	94.5	Very high	94.7	Very high	58 Å²	58	65.4 Å²	65.4	30%	0.297	32%	0.322	S	S	.	.	H	α-helix	trans	-56.1	-36.7	-176.3	-59.2	174.6	0	0	0	111.3	A75 I82 V86 F87 L88	A75-I84 HydrophobicContact CB-CB 4.12Å; A75-I84 HydrophobicContact CB-CG2 3.86Å; I82-I84 HydrophobicContact CB-CD1 4.03Å; I82-I84 HydrophobicContact CB-CG1 3.86Å; I82-I84 HydrophobicContact CD1-CD1 4.36Å; I82-I84 HydrophobicContact CG2-CD1 4.01Å; I82-I84 HydrophobicContact CG2-CG1 3.56Å; I82-I84 PolarHBondContact O-N 3.08Å; I84-V86 PolarHBondContact O-N 2.68Å; I84-F87 PolarHBondContact O-N 2.82Å; I84-F87 VanDerWaalsContact O-N 3.11Å; I84-L88 HydrophobicContact CG2-CD1 4.04Å; I84-L88 HydrophobicContact CG2-CG 4.09Å; I84-L88 WeakPolarHBondContact O-CG 3.44Å; I84-L88 PolarHBondContact O-N 2.88Å
85	H	94.8	Very high	94.7	Very high	23 Å²	23	67.6 Å²	67.6	11%	0.106	33%	0.325	C	S	.	.	H	α-helix	trans	-60	-29.5	178.5	85.1	-93.1	0	0	0	113.1	Y72 A75 L76 S79 W83 G89	Y72-H85 HydrophobicContact CE2-CB 4.19Å; Y72-H85 PolarHBondContact OH-O 3.01Å; A75-H85 HydrophobicContact CB-CB 4.31Å; L76-H85 HydrophobicContact CD2-CB 4.06Å; L76-H85 HydrophobicContact CG-CB 4.46Å; S79-H85 PolarHBondContact OG-CE1 3.14Å; S79-H85 PolarHBondContact OG-ND1 3.38Å; W83-H85 PolarHBondContact O-N 3.4Å; H85-G89 PolarHBondContact O-N 3.11Å
86	V	95.8	Very high	94.7	Very high	2 Å²	2	67.4 Å²	67.4	1%	0.012	32%	0.323	C	S	.	.	H	α-helix	trans	-71	-44.1	175.8	-177.1	0	0	0	0	110.1	W83 I84 G89 C90 F110 L114	W83-V86 HydrophobicContact CB-CG2 4.14Å; W83-V86 WeakPolarHBondContact O-CB 3.01Å; W83-V86 PolarHBondContact O-N 3.12Å; I84-V86 PolarHBondContact O-N 2.68Å; V86-G89 PolarHBondContact O-N 3.44Å; V86-C90 WeakPolarHBondContact O-CB 3.43Å; V86-C90 PolarHBondContact O-N 3.47Å; V86-F110 HydrophobicContact CG1-CD2 4.01Å; V86-F110 HydrophobicContact CG1-CE2 3.76Å; V86-F110 HydrophobicContact CG1-CZ 4.27Å; V86-L114 HydrophobicContact CG1-CB 3.97Å; V86-L114 HydrophobicContact CG2-CD1 4.33Å
87	F	95.9	Very high	94.7	Very high	124 Å²	124	66.5 Å²	66.5	54%	0.544	32%	0.317	S	S	.	.	H	α-helix	trans	-67.1	-39.3	176.7	-68.7	-79.1	0	0	0	112.4	W83 I84 S91 F110	W83-F87 WeakPolarHBondContact O-CD2 3.03Å; I84-F87 PolarHBondContact O-N 2.82Å; I84-F87 VanDerWaalsContact O-N 3.11Å; F87-S91 VanDerWaalsContact O-CB 3.23Å; F87-S91 WeakPolarHBondContact O-CB 3.34Å; F87-S91 PolarHBondContact O-N 3.47Å; F87-S91 PolarHBondContact O-OG 3.06Å; F87-F110 HydrophobicContact CE1-CE2 4.21Å; F87-F110 HydrophobicContact CZ-CE2 4.37Å
88	L	96.5	Very high	94.6	Very high	50 Å²	50	66.7 Å²	66.7	26%	0.262	32%	0.32	S	S	.	.	H	α-helix	trans	-64.7	-45	172.3	-70.1	178.8	0	0	0	111.5	F54 Y72 A75 I84 S91 C92	F54-L88 HydrophobicContact CE2-CB 4.31Å; F54-L88 HydrophobicContact CZ-CB 4.15Å; Y72-L88 HydrophobicContact CD2-CB 3.95Å; Y72-L88 HydrophobicContact CD2-CD1 3.95Å; Y72-L88 HydrophobicContact CE2-CB 3.91Å; A75-L88 HydrophobicContact CB-CD1 3.5Å; A75-L88 VanDerWaalsContact CB-CD1 3.5Å; I84-L88 HydrophobicContact CG2-CD1 4.04Å; I84-L88 HydrophobicContact CG2-CG 4.09Å; I84-L88 WeakPolarHBondContact O-CG 3.44Å; I84-L88 PolarHBondContact O-N 2.88Å; L88-S91 PolarHBondContact O-N 3.33Å; L88-C92 WeakPolarHBondContact O-CB 3.46Å; L88-C92 PolarHBondContact O-N 2.98Å
89	G	96.1	Very high	94.5	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-59.4	-48.9	175.2	0	0	0	0	0	112.4	H85 V86 S91 C92 R93	H85-G89 PolarHBondContact O-N 3.11Å; V86-G89 PolarHBondContact O-N 3.44Å; G89-S91 PolarHBondContact O-N 3.23Å; G89-C92 WeakPolarHBondContact O-CB 3.37Å; G89-C92 PolarHBondContact O-N 3.47Å; G89-R93 PolarHBondContact O-N 3.34Å
90	C	96.9	Very high	94.6	Very high	9 Å²	9	66.6 Å²	66.6	6%	0.061	31%	0.314	C	S	.	.	H	α-helix	trans	-61.1	-46.3	178.6	179.1	0	0	0	0	111.5	V86 C92 R93 R94 I106 F110 S113	V86-C90 WeakPolarHBondContact O-CB 3.43Å; V86-C90 PolarHBondContact O-N 3.47Å; C90-C92 PolarHBondContact O-N 3.27Å; C90-R93 PolarHBondContact O-N 2.88Å; C90-R94 WeakPolarHBondContact O-CB 3.36Å; C90-R94 PolarHBondContact O-N 3.49Å; C90-I106 VanDerWaalsContact SG-CD1 3.57Å; C90-F110 PolarHBondContact SG-N 3.3Å; C90-S113 WeakPolarHBondContact CA-OG 3.3Å; C90-S113 PolarHBondContact N-OG 3.16Å
91	S	96.7	Very high	94.9	Very high	59 Å²	59	69.2 Å²	69.2	41%	0.413	31%	0.309	S	S	.	.	H	α-helix	trans	-63.9	-40.4	177	-59.9	0	0	0	0	112.3	F87 L88 G89 R95	F87-S91 VanDerWaalsContact O-CB 3.23Å; F87-S91 WeakPolarHBondContact O-CB 3.34Å; F87-S91 PolarHBondContact O-N 3.47Å; F87-S91 PolarHBondContact O-OG 3.06Å; L88-S91 PolarHBondContact O-N 3.33Å; G89-S91 PolarHBondContact O-N 3.23Å; S91-R95 WeakPolarHBondContact O-CG 3.39Å; S91-R95 PolarHBondContact O-N 2.91Å
92	C	96.5	Very high	95.1	Very high	5 Å²	5	62.8 Å²	62.8	3%	0.034	28%	0.276	C	S	.	.	H	α-helix	trans	-63.8	-49.1	175.5	-172.8	0	0	0	0	110.9	F54 I57 L88 G89 C90 R94 R95 L96	F54-C92 HydrophobicContact CD2-CB 4.39Å; F54-C92 HydrophobicContact CE2-CB 3.52Å; F54-C92 HydrophobicContact CZ-CB 4.05Å; I57-C92 VanDerWaalsContact CG2-SG 3.57Å; L88-C92 WeakPolarHBondContact O-CB 3.46Å; L88-C92 PolarHBondContact O-N 2.98Å; G89-C92 WeakPolarHBondContact O-CB 3.37Å; G89-C92 PolarHBondContact O-N 3.47Å; C90-C92 PolarHBondContact O-N 3.27Å; C92-R94 PolarHBondContact O-N 3.43Å; C92-R95 PolarHBondContact O-N 3.46Å; C92-L96 WeakPolarHBondContact O-CB 3.41Å; C92-L96 PolarHBondContact O-N 2.51Å
93	R	96.2	Very high	95.3	Very high	5 Å²	5	61.3 Å²	61.3	2%	0.019	27%	0.266	C	S	.	.	H	α-helix	trans	-63.6	-39.8	178.1	-144.1	-172.4	81.2	153.2	-7.7	112	W30 G89 C90 R95 L96 R97 S108 D109 M120	W30-R93 HydrophobicContact CH2-CG 3.59Å; W30-R93 HydrophobicContact CZ2-CG 3.68Å; G89-R93 PolarHBondContact O-N 3.34Å; C90-R93 PolarHBondContact O-N 2.88Å; R93-R95 PolarHBondContact O-N 2.96Å; R93-L96 PolarHBondContact O-N 2.84Å; R93-R97 WeakPolarHBondContact O-CG 3.37Å; R93-R97 PolarHBondContact O-N 3.5Å; R93-S108 VanDerWaalsContact NH2-C 3.31Å; R93-S108 PolarHBondContact NH2-O 3.22Å; R93-S108 PolarHBondContact NH2-OG 3.03Å; R93-D109 HydrophobicContact CB-CB 4.36Å; R93-D109 IonicContact CZ-OD1 3.44Å; R93-D109 IonicContact NE-OD1 2.66Å; R93-D109 PolarHBondContact NE-OD1 3Å; R93-D109 IonicContact NH2-OD1 3.4Å; R93-D109 PolarHBondContact NH2-OD1 3.34Å; R93-M120 HydrophobicContact CB-SD 4.37Å; R93-M120 HydrophobicContact CG-CG 4.48Å; R93-M120 HydrophobicContact CG-SD 4.5Å
94	R	96.2	Very high	95.3	Very high	158 Å²	158	55.7 Å²	55.7	60%	0.596	25%	0.254	S	S	*	.	H	α-helix	trans	-57.6	-48	172.9	-177.8	-172.3	177.5	173.8	-1.9	111.8	C90 C92 R97 H98	C90-R94 WeakPolarHBondContact O-CB 3.36Å; C90-R94 PolarHBondContact O-N 3.49Å; C92-R94 PolarHBondContact O-N 3.43Å; R94-R97 PolarHBondContact O-N 2.88Å; R94-H98 PolarHBondContact O-N 2.76Å; R94-H98 VanDerWaalsContact O-N 3.1Å
95	R	96.1	Very high	95.2	Very high	131 Å²	131	58.6 Å²	58.6	49%	0.494	27%	0.266	S	S	.	.	H	α-helix	trans	-63.6	-44	177.6	-73.3	174.6	174.9	-175.7	-3.2	111.4	M61 Y63 S91 C92 R93 R97 H98 H99	M61-R95 HydrophobicContact CE-CB 4.27Å; M61-R95 HydrophobicContact SD-CB 3.53Å; M61-R95 VanDerWaalsContact SD-CB 3.53Å; Y63-R95 PolarHBondContact OH-NH1 2.85Å; Y63-R95 VanDerWaalsContact OH-NH1 3.08Å; S91-R95 WeakPolarHBondContact O-CG 3.39Å; S91-R95 PolarHBondContact O-N 2.91Å; C92-R95 PolarHBondContact O-N 3.46Å; R93-R95 PolarHBondContact O-N 2.96Å; R95-R97 PolarHBondContact O-N 3.2Å; R95-H98 WeakPolarHBondContact O-CB 3.33Å; R95-H98 PolarHBondContact O-N 3.05Å; R95-H98 VanDerWaalsContact O-N 3.11Å; R95-H99 PolarHBondContact O-N 3.22Å
96	L	95.8	Very high	95.2	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-61.8	-41.9	178.5	-166.7	67.8	0	0	0	112.3	W30 I57 M61 C92 R93 H98 H99 Y100 S124 I128	W30-L96 HydrophobicContact CH2-CD2 4.23Å; W30-L96 HydrophobicContact CZ3-CD2 4.32Å; I57-L96 HydrophobicContact CG2-CD1 4.37Å; I57-L96 HydrophobicContact CG2-CD2 4.23Å; M61-L96 HydrophobicContact SD-CB 4.22Å; M61-L96 HydrophobicContact SD-CD1 4.28Å; M61-L96 PolarHBondContact SD-N 3.44Å; C92-L96 WeakPolarHBondContact O-CB 3.41Å; C92-L96 PolarHBondContact O-N 2.51Å; R93-L96 PolarHBondContact O-N 2.84Å; L96-H98 VanDerWaalsContact C-N 3.34Å; L96-H99 PolarHBondContact O-N 2.96Å; L96-Y100 HydrophobicContact CD1-CD2 3.84Å; L96-Y100 HydrophobicContact CD1-CE2 3.62Å; L96-Y100 HydrophobicContact CG-CD2 4.16Å; L96-Y100 HydrophobicContact CG-CE2 4.37Å; L96-Y100 PolarHBondContact O-N 3.32Å; L96-Y100 VanDerWaalsContact O-N 3.08Å; L96-S124 VanDerWaalsContact CD2-CB 3.5Å; L96-I128 HydrophobicContact CD1-CD1 3.94Å; L96-I128 HydrophobicContact CD1-CG1 3.95Å
97	R	95.2	Very high	95.2	Very high	27 Å²	27	66.4 Å²	66.4	10%	0.102	31%	0.311	C	S	.	.	H	α-helix	trans	-64.6	-36	173.5	-70.9	-165.7	-54.3	102.4	-6.7	112.7	W30 R93 R94 R95 R101 I102 G104 D109	W30-R97 HydrophobicContact CH2-CG 4.06Å; W30-R97 HydrophobicContact CZ2-CG 3.38Å; R93-R97 WeakPolarHBondContact O-CG 3.37Å; R93-R97 PolarHBondContact O-N 3.5Å; R94-R97 PolarHBondContact O-N 2.88Å; R95-R97 PolarHBondContact O-N 3.2Å; R97-R101 CarbonylContact O-C 3.53Å; R97-R101 WeakPolarHBondContact O-CA 3.32Å; R97-R101 PolarHBondContact O-N 2.75Å; R97-I102 HydrophobicContact CB-CB 4.15Å; R97-I102 HydrophobicContact CG-CB 4.07Å; R97-I102 HydrophobicContact CG-CG2 4.43Å; R97-I102 PolarHBondContact NH1-O 3.13Å; R97-I102 PolarHBondContact O-N 2.69Å; R97-G104 VanDerWaalsContact CZ-C 3.46Å; R97-G104 VanDerWaalsContact CZ-O 3.28Å; R97-G104 VanDerWaalsContact NH1-C 3.28Å; R97-G104 PolarHBondContact NH1-O 2.86Å; R97-G104 PolarHBondContact NH2-O 2.77Å; R97-D109 IonicContact CZ-OD1 3.21Å; R97-D109 IonicContact CZ-OD2 3.73Å; R97-D109 IonicContact NE-OD1 2.76Å; R97-D109 PolarHBondContact NE-OD1 2.97Å; R97-D109 IonicContact NE-OD2 2.86Å; R97-D109 PolarHBondContact NE-OD2 3Å; R97-D109 VanDerWaalsContact NE-OD2 3.13Å; R97-D109 IonicContact NH2-OD1 2.77Å; R97-D109 IonicContact NH2-OD2 3.77Å; R97-D109 PolarHBondContact NH2-OD2 3.47Å
98	H	94.1	Very high	95.2	Very high	161 Å²	161	63.3 Å²	63.3	75%	0.745	31%	0.305	S	S	*	.	H	α-helix	trans	-66.6	-50.4	174.6	-173.5	83.7	0	0	0	110.9	R94 R95 L96 Y100 R101	R94-H98 PolarHBondContact O-N 2.76Å; R94-H98 VanDerWaalsContact O-N 3.1Å; R95-H98 WeakPolarHBondContact O-CB 3.33Å; R95-H98 PolarHBondContact O-N 3.05Å; R95-H98 VanDerWaalsContact O-N 3.11Å; L96-H98 VanDerWaalsContact C-N 3.34Å; H98-Y100 PolarHBondContact O-N 2.86Å; H98-R101 PolarHBondContact O-N 3.26Å; H98-R101 VanDerWaalsContact O-N 3.14Å
99	H	94	Very high	95.2	Very high	81 Å²	81	60.9 Å²	60.9	38%	0.375	29%	0.292	S	S	.	.	H	α-helix	trans	-53.6	-46.6	179.6	-179.4	-122.8	0	0	0	113	R95 L96	R95-H99 PolarHBondContact O-N 3.22Å; L96-H99 PolarHBondContact O-N 2.96Å
100	Y	94.1	Very high	95.2	Very high	13 Å²	13	64.2 Å²	64.2	5%	0.051	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	13.9	179.9	-64.2	-60.3	0	0	0	114.7	K28 E60 L96 H98 I102 I128 E131	K28-Y100 WeakPolarHBondContact CE-O 3.44Å; E60-Y100 VanDerWaalsContact CD-OH 3.23Å; E60-Y100 HydrophobicContact CG-CE2 4.46Å; E60-Y100 WeakPolarHBondContact CG-OH 3.43Å; E60-Y100 PolarHBondContact OE1-OH 3.01Å; L96-Y100 HydrophobicContact CD1-CD2 3.84Å; L96-Y100 HydrophobicContact CD1-CE2 3.62Å; L96-Y100 HydrophobicContact CG-CD2 4.16Å; L96-Y100 HydrophobicContact CG-CE2 4.37Å; L96-Y100 PolarHBondContact O-N 3.32Å; L96-Y100 VanDerWaalsContact O-N 3.08Å; H98-Y100 PolarHBondContact O-N 2.86Å; Y100-I102 VanDerWaalsContact C-N 3.33Å; Y100-I102 PolarHBondContact O-N 3.32Å; Y100-I128 HydrophobicContact CE2-CG1 3.93Å; Y100-E131 HydrophobicContact CD1-CB 4.12Å; Y100-E131 HydrophobicContact CD1-CG 3.66Å; Y100-E131 WeakPolarHBondContact CD1-OE2 3.43Å; Y100-E131 HydrophobicContact CD2-CG 4.28Å; Y100-E131 HydrophobicContact CE1-CB 3.53Å; Y100-E131 HydrophobicContact CE1-CG 3.57Å; Y100-E131 HydrophobicContact CE2-CB 4.49Å; Y100-E131 HydrophobicContact CE2-CG 4.17Å; Y100-E131 HydrophobicContact CG-CG 4.01Å
101	R	94.1	Very high	95.1	Very high	168 Å²	168	66.2 Å²	66.2	63%	0.634	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	44.2	-180	-56.9	-176.5	179	-173.7	1.6	114.2	K27 K28 R97 H98	K27-R101 CarbonylContact C-O 3.53Å; K27-R101 VanDerWaalsContact CA-O 3.24Å; K27-R101 WeakPolarHBondContact CA-O 3.26Å; K27-R101 VanDerWaalsContact CB-O 3.28Å; K27-R101 WeakPolarHBondContact CB-O 3.37Å; K28-R101 PolarHBondContact N-O 3.15Å; R97-R101 CarbonylContact O-C 3.53Å; R97-R101 WeakPolarHBondContact O-CA 3.32Å; R97-R101 PolarHBondContact O-N 2.75Å; H98-R101 PolarHBondContact O-N 3.26Å; H98-R101 VanDerWaalsContact O-N 3.14Å
102	I	95.2	Very high	95.1	Very high	3 Å²	3	63.6 Å²	63.6	2%	0.015	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-92.2	133	-177.5	-49.2	177.1	0	0	0	111.3	K28 W30 R97 Y100 Q127	K28-I102 HydrophobicContact CG-CG1 4.28Å; K28-I102 CarbonylContact O-C 3.41Å; K28-I102 WeakPolarHBondContact O-CA 3.39Å; W30-I102 HydrophobicContact CD2-CD1 4.34Å; W30-I102 HydrophobicContact CD2-CG2 3.99Å; W30-I102 HydrophobicContact CE3-CD1 4.06Å; W30-I102 HydrophobicContact CG-CG2 3.9Å; W30-I102 HydrophobicContact CZ3-CD1 4.17Å; R97-I102 HydrophobicContact CB-CB 4.15Å; R97-I102 HydrophobicContact CG-CB 4.07Å; R97-I102 HydrophobicContact CG-CG2 4.43Å; R97-I102 PolarHBondContact NH1-O 3.13Å; R97-I102 PolarHBondContact O-N 2.69Å; Y100-I102 VanDerWaalsContact C-N 3.33Å; Y100-I102 PolarHBondContact O-N 3.32Å; I102-Q127 HydrophobicContact CD1-CG 3.73Å
103	K	94.2	Very high	95	Very high	63 Å²	63	63.4 Å²	63.4	27%	0.274	30%	0.301	S	S	.	.			trans	-57.7	148.9	173.3	-73.6	-177.2	160.5	104.9	0	111.7	Q24 S25 K27 K28	Q24-K103 WeakPolarHBondContact O-CE 3.04Å; Q24-K103 PolarHBondContact O-NZ 3.3Å; Q24-K103 VanDerWaalsContact O-NZ 3.08Å; S25-K103 PolarHBondContact O-NZ 3.5Å; K27-K103 HydrophobicContact CB-CG 3.58Å; K27-K103 WeakPolarHBondContact O-CE 3.38Å; K27-K103 PolarHBondContact O-NZ 3.03Å; K28-K103 PolarHBondContact O-N 2.99Å
104	G	92.2	Very high	94.9	Very high	29 Å²	29	66.4 Å²	66.4	30%	0.299	32%	0.317	S	S	.	.			trans	146.3	164.1	176.7	0	0	0	0	0	114.2	R97	R97-G104 VanDerWaalsContact CZ-C 3.46Å; R97-G104 VanDerWaalsContact CZ-O 3.28Å; R97-G104 VanDerWaalsContact NH1-C 3.28Å; R97-G104 PolarHBondContact NH1-O 2.86Å; R97-G104 PolarHBondContact NH2-O 2.77Å
105	H	93.2	Very high	94.9	Very high	120 Å²	120	65.5 Å²	65.5	56%	0.556	32%	0.323	S	S	*	.			trans	-118.3	155.9	-175.1	-58.9	-96.5	0	0	0	110.9	V107 S108 D109	H105-V107 PolarHBondContact O-N 2.78Å; H105-S108 WeakPolarHBondContact O-CB 3.46Å; H105-S108 PolarHBondContact O-N 3.42Å; H105-D109 PolarHBondContact O-N 3.06Å; H105-D109 VanDerWaalsContact O-N 3.15Å
106	I	94.8	Very high	94.8	Very high	88 Å²	88	61 Å²	61	45%	0.451	31%	0.312	S	S	.	.	H	α-helix	trans	-57.4	-37	179.9	-172.3	63.4	0	0	0	112.6	C90 S108 D109 F110	C90-I106 VanDerWaalsContact SG-CD1 3.57Å; I106-S108 VanDerWaalsContact C-N 3.32Å; I106-S108 PolarHBondContact O-N 3.14Å; I106-D109 WeakPolarHBondContact O-CB 3.25Å; I106-D109 PolarHBondContact O-N 3.41Å; I106-D109 VanDerWaalsContact O-N 3.15Å; I106-F110 PolarHBondContact O-N 2.9Å
107	V	96	Very high	94.7	Very high	100 Å²	100	62.3 Å²	62.3	61%	0.606	32%	0.321	S	S	*	.	H	α-helix	trans	-61.2	-39.8	175.3	-176	0	0	0	0	111.3	H105 F110 C111	H105-V107 PolarHBondContact O-N 2.78Å; V107-F110 PolarHBondContact O-N 2.85Å; V107-C111 WeakPolarHBondContact O-CB 3.46Å; V107-C111 PolarHBondContact O-N 2.93Å; V107-C111 PolarHBondContact O-SG 3.3Å
108	S	94.4	Very high	94.7	Very high	59 Å²	59	62.4 Å²	62.4	41%	0.413	33%	0.325	S	S	.	.	H	α-helix	trans	-68.1	-35.1	175.5	179.4	0	0	0	0	112.3	R93 H105 I106 A112	R93-S108 VanDerWaalsContact NH2-C 3.31Å; R93-S108 PolarHBondContact NH2-O 3.22Å; R93-S108 PolarHBondContact NH2-OG 3.03Å; H105-S108 WeakPolarHBondContact O-CB 3.46Å; H105-S108 PolarHBondContact O-N 3.42Å; I106-S108 VanDerWaalsContact C-N 3.32Å; I106-S108 PolarHBondContact O-N 3.14Å; S108-A112 WeakPolarHBondContact O-CB 2.9Å; S108-A112 PolarHBondContact O-N 3.3Å
109	D	96.3	Very high	94.8	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-67.5	-40	174.9	-59.6	-30.3	0	0	0	111.5	R93 R97 H105 I106 S113	R93-D109 HydrophobicContact CB-CB 4.36Å; R93-D109 IonicContact CZ-OD1 3.44Å; R93-D109 IonicContact NE-OD1 2.66Å; R93-D109 PolarHBondContact NE-OD1 3Å; R93-D109 IonicContact NH2-OD1 3.4Å; R93-D109 PolarHBondContact NH2-OD1 3.34Å; R97-D109 IonicContact CZ-OD1 3.21Å; R97-D109 IonicContact CZ-OD2 3.73Å; R97-D109 IonicContact NE-OD1 2.76Å; R97-D109 PolarHBondContact NE-OD1 2.97Å; R97-D109 IonicContact NE-OD2 2.86Å; R97-D109 PolarHBondContact NE-OD2 3Å; R97-D109 VanDerWaalsContact NE-OD2 3.13Å; R97-D109 IonicContact NH2-OD1 2.77Å; R97-D109 IonicContact NH2-OD2 3.77Å; R97-D109 PolarHBondContact NH2-OD2 3.47Å; H105-D109 PolarHBondContact O-N 3.06Å; H105-D109 VanDerWaalsContact O-N 3.15Å; I106-D109 WeakPolarHBondContact O-CB 3.25Å; I106-D109 PolarHBondContact O-N 3.41Å; I106-D109 VanDerWaalsContact O-N 3.15Å; D109-S113 WeakPolarHBondContact O-CB 3.44Å; D109-S113 PolarHBondContact O-N 3.38Å; D109-S113 PolarHBondContact O-OG 3.19Å
110	F	96.3	Very high	95	Very high	70 Å²	70	51.8 Å²	51.8	31%	0.307	28%	0.278	S	S	.	.	H	α-helix	trans	-67.8	-54.1	176.8	-174.4	-99.3	0	0	0	111.6	V86 F87 C90 I106 V107 A112 S113 L114	V86-F110 HydrophobicContact CG1-CD2 4.01Å; V86-F110 HydrophobicContact CG1-CE2 3.76Å; V86-F110 HydrophobicContact CG1-CZ 4.27Å; F87-F110 HydrophobicContact CE1-CE2 4.21Å; F87-F110 HydrophobicContact CZ-CE2 4.37Å; C90-F110 PolarHBondContact SG-N 3.3Å; I106-F110 PolarHBondContact O-N 2.9Å; V107-F110 PolarHBondContact O-N 2.85Å; F110-A112 VanDerWaalsContact C-N 3.32Å; F110-A112 PolarHBondContact O-N 3.08Å; F110-S113 PolarHBondContact O-N 3.08Å; F110-L114 HydrophobicContact CE1-CD2 3.91Å; F110-L114 WeakPolarHBondContact O-CB 3.31Å; F110-L114 PolarHBondContact O-N 3.45Å
111	C	96.5	Very high	95.1	Very high	51 Å²	51	51.2 Å²	51.2	35%	0.345	28%	0.276	S	S	.	.	H	α-helix	trans	-60.2	-38.7	178.7	-66.1	0	0	0	0	112.5	V107 S113 L114 L115	V107-C111 WeakPolarHBondContact O-CB 3.46Å; V107-C111 PolarHBondContact O-N 2.93Å; V107-C111 PolarHBondContact O-SG 3.3Å; C111-S113 VanDerWaalsContact C-N 3.32Å; C111-S113 PolarHBondContact O-N 3.48Å; C111-L114 PolarHBondContact O-N 3.15Å; C111-L115 HydrophobicContact CB-CD1 4.32Å; C111-L115 VanDerWaalsContact O-CB 3.28Å; C111-L115 WeakPolarHBondContact O-CB 3.31Å; C111-L115 VanDerWaalsContact O-CG 3.24Å; C111-L115 WeakPolarHBondContact O-CG 3.5Å; C111-L115 PolarHBondContact O-N 3.35Å
112	A	95.7	Very high	95.3	Very high	3 Å²	3	43.2 Å²	43.2	3%	0.025	25%	0.245	C	C	.	.	H	α-helix	trans	-62.8	-39.8	174.5	0	0	0	0	0	112.2	L34 S108 F110 C116 M120	L34-A112 HydrophobicContact CD1-CB 4.08Å; L34-A112 HydrophobicContact CD2-CB 3.82Å; S108-A112 WeakPolarHBondContact O-CB 2.9Å; S108-A112 PolarHBondContact O-N 3.3Å; F110-A112 VanDerWaalsContact C-N 3.32Å; F110-A112 PolarHBondContact O-N 3.08Å; A112-C116 CarbonylContact O-C 3.52Å; A112-C116 PolarHBondContact O-N 3.22Å; A112-M120 HydrophobicContact CB-CB 4.34Å; A112-M120 HydrophobicContact CB-CG 4.21Å
113	S	94.7	Very high	95.4	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.007	25%	0.246	C	C	.	.	H	α-helix	trans	-73.6	-31.1	179.6	-54.4	0	0	0	0	112.9	C90 D109 F110 C111	C90-S113 WeakPolarHBondContact CA-OG 3.3Å; C90-S113 PolarHBondContact N-OG 3.16Å; D109-S113 WeakPolarHBondContact O-CB 3.44Å; D109-S113 PolarHBondContact O-N 3.38Å; D109-S113 PolarHBondContact O-OG 3.19Å; F110-S113 PolarHBondContact O-N 3.08Å; C111-S113 VanDerWaalsContact C-N 3.32Å; C111-S113 PolarHBondContact O-N 3.48Å
114	L	94.6	Very high	95.5	Very high	69 Å²	69	40.3 Å²	40.3	36%	0.361	23%	0.233	S	C	.	.	H	α-helix	trans	-80.2	-46.2	179.8	176.7	60.8	0	0	0	112.7	W83 V86 F110 C111	W83-L114 HydrophobicContact CE3-CD1 3.79Å; W83-L114 HydrophobicContact CH2-CD1 4.45Å; W83-L114 HydrophobicContact CZ3-CD1 3.52Å; V86-L114 HydrophobicContact CG1-CB 3.97Å; V86-L114 HydrophobicContact CG2-CD1 4.33Å; F110-L114 HydrophobicContact CE1-CD2 3.91Å; F110-L114 WeakPolarHBondContact O-CB 3.31Å; F110-L114 PolarHBondContact O-N 3.45Å; C111-L114 PolarHBondContact O-N 3.15Å
115	L	94.9	Very high	95.8	Very high	139 Å²	139	38.9 Å²	38.9	73%	0.728	22%	0.218	S	C	*	.	H	α-helix	trans	-77	-35	-172.4	-66.6	170.5	0	0	0	113.1	C111	C111-L115 HydrophobicContact CB-CD1 4.32Å; C111-L115 VanDerWaalsContact O-CB 3.28Å; C111-L115 WeakPolarHBondContact O-CB 3.31Å; C111-L115 VanDerWaalsContact O-CG 3.24Å; C111-L115 WeakPolarHBondContact O-CG 3.5Å; C111-L115 PolarHBondContact O-N 3.35Å
116	C	94.5	Very high	96	Very high	37 Å²	37	33.2 Å²	33.2	25%	0.25	19%	0.192	C	C	.	.			trans	-159.5	90.2	173.1	-179	0	0	0	0	110.5	A112 S118 C119 M120	A112-C116 CarbonylContact O-C 3.52Å; A112-C116 PolarHBondContact O-N 3.22Å; C116-S118 VanDerWaalsContact C-N 3.3Å; C116-S118 PolarHBondContact O-N 2.92Å; C116-C119 HydrophobicContact CB-CB 3.56Å; C116-C119 WeakPolarHBondContact CB-SG 3.16Å; C116-C119 WeakPolarHBondContact O-CB 3.36Å; C116-C119 PolarHBondContact O-N 3.1Å; C116-C119 WeakPolarHBondContact SG-CB 3.21Å; C116-C119 PolarHBondContact SG-N 3.46Å; C116-C119 CovalentContact SG-SG 2.04Å; C116-C119 PolarHBondContact SG-SG 3.48Å; C116-M120 PolarHBondContact O-N 3.13Å
117	S	94.1	Very high	96	Very high	27 Å²	27	29 Å²	29	19%	0.189	17%	0.171	C	C	.	.	H	α-helix	trans	-53.8	-44.1	176.9	55.7	0	0	0	0	112.2	C119 M120 L121	S117-C119 VanDerWaalsContact C-N 3.32Å; S117-C119 PolarHBondContact O-N 2.74Å; S117-M120 PolarHBondContact O-N 2.93Å; S117-L121 WeakPolarHBondContact O-CG 3.49Å; S117-L121 PolarHBondContact O-N 2.84Å
118	S	95.6	Very high	96.1	Very high	29 Å²	29	24.2 Å²	24.2	20%	0.203	14%	0.142	C	C	.	.	H	α-helix	trans	-59	-38.8	175	-43.8	0	0	0	0	113.1	S46 C116 Y122	S46-S118 WeakPolarHBondContact CB-O 3.07Å; C116-S118 VanDerWaalsContact C-N 3.3Å; C116-S118 PolarHBondContact O-N 2.92Å; S118-Y122 VanDerWaalsContact O-CB 3.3Å; S118-Y122 WeakPolarHBondContact O-CB 3.37Å; S118-Y122 PolarHBondContact O-N 3.49Å
119	C	96.3	Very high	96.1	Very high	17 Å²	17	21.9 Å²	21.9	12%	0.115	13%	0.126	C	C	.	.	H	α-helix	trans	-72.3	-36.6	178.9	-51.6	0	0	0	0	111.5	L34 C116 S117 Q123	L34-C119 HydrophobicContact CD1-CB 4.22Å; C116-C119 HydrophobicContact CB-CB 3.56Å; C116-C119 WeakPolarHBondContact CB-SG 3.16Å; C116-C119 WeakPolarHBondContact O-CB 3.36Å; C116-C119 PolarHBondContact O-N 3.1Å; C116-C119 WeakPolarHBondContact SG-CB 3.21Å; C116-C119 PolarHBondContact SG-N 3.46Å; C116-C119 CovalentContact SG-SG 2.04Å; C116-C119 PolarHBondContact SG-SG 3.48Å; S117-C119 VanDerWaalsContact C-N 3.32Å; S117-C119 PolarHBondContact O-N 2.74Å; C119-Q123 WeakPolarHBondContact O-CB 3.29Å; C119-Q123 PolarHBondContact O-N 2.85Å
120	M	96.6	Very high	96	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-67.8	-41.9	174.4	177.4	-76.2	-60.7	0	0	111.5	L34 R93 A112 C116 S117 S124	L34-M120 HydrophobicContact CD1-CB 4.41Å; R93-M120 HydrophobicContact CB-SD 4.37Å; R93-M120 HydrophobicContact CG-CG 4.48Å; R93-M120 HydrophobicContact CG-SD 4.5Å; A112-M120 HydrophobicContact CB-CB 4.34Å; A112-M120 HydrophobicContact CB-CG 4.21Å; C116-M120 PolarHBondContact O-N 3.13Å; S117-M120 PolarHBondContact O-N 2.93Å; M120-S124 VanDerWaalsContact O-CB 3.29Å; M120-S124 WeakPolarHBondContact O-CB 3.5Å; M120-S124 PolarHBondContact O-N 3.38Å; M120-S124 PolarHBondContact O-OG 3.38Å
121	L	97.5	Very high	95.9	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-63.4	-46	172.2	-70.1	172.9	0	0	0	111.3	P50 V53 F54 I57 Y72 S117 S124 A125	P50-L121 HydrophobicContact CB-CD1 3.44Å; P50-L121 VanDerWaalsContact CB-CD1 3.44Å; V53-L121 HydrophobicContact CG1-CB 4.06Å; F54-L121 HydrophobicContact CB-CD2 3.95Å; F54-L121 HydrophobicContact CD2-CD2 3.99Å; F54-L121 HydrophobicContact CG-CD2 4.49Å; I57-L121 HydrophobicContact CD1-CB 4.48Å; I57-L121 HydrophobicContact CD1-CD2 3.81Å; Y72-L121 HydrophobicContact CE1-CD1 4.19Å; S117-L121 WeakPolarHBondContact O-CG 3.49Å; S117-L121 PolarHBondContact O-N 2.84Å; L121-S124 PolarHBondContact O-N 2.76Å; L121-A125 WeakPolarHBondContact O-CB 3.16Å; L121-A125 PolarHBondContact O-N 2.89Å
122	Y	97.5	Very high	95.7	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-57.7	-50.3	174.9	176.4	-81.3	0	0	0	111.8	V32 E36 R38 S39 L42 T43 S118 S124 A125 A126 Y160	V32-Y122 HydrophobicContact CG1-CE1 4.22Å; E36-Y122 WeakPolarHBondContact O-CE1 3.48Å; E36-Y122 PolarHBondContact O-OH 2.86Å; R38-Y122 PolarHBondContact N-OH 3.01Å; S39-Y122 PolarHBondContact N-OH 3.04Å; L42-Y122 HydrophobicContact CB-CD2 4.1Å; L42-Y122 HydrophobicContact CB-CE2 4.02Å; L42-Y122 HydrophobicContact CD2-CD2 3.76Å; L42-Y122 HydrophobicContact CD2-CE2 3.88Å; L42-Y122 HydrophobicContact CD2-CG 4.38Å; L42-Y122 HydrophobicContact CG-CD2 3.7Å; L42-Y122 HydrophobicContact CG-CE2 4.03Å; T43-Y122 WeakPolarHBondContact OG1-CE2 3.23Å; S118-Y122 VanDerWaalsContact O-CB 3.3Å; S118-Y122 WeakPolarHBondContact O-CB 3.37Å; S118-Y122 PolarHBondContact O-N 3.49Å; Y122-S124 VanDerWaalsContact C-N 3.3Å; Y122-S124 PolarHBondContact O-N 2.99Å; Y122-A125 PolarHBondContact O-N 3.37Å; Y122-A126 HydrophobicContact CE1-CB 4.25Å; Y122-A126 WeakPolarHBondContact O-CB 3.34Å; Y122-A126 PolarHBondContact O-N 3.27Å; Y122-Y160 HydrophobicContact CE1-CE2 4.5Å; Y122-Y160 WeakPolarHBondContact OH-CE2 3.24Å
123	Q	97.1	Very high	95.5	Very high	5 Å²	5	20.5 Å²	20.5	2%	0.023	11%	0.112	C	C	.	.	H	α-helix	trans	-57.3	-44.5	177.7	174.5	176.9	63.4	0	0	111.2	W30 V32 L34 C119 Q127	W30-Q123 HydrophobicContact CD2-CG 4.2Å; W30-Q123 HydrophobicContact CE3-CG 3.71Å; W30-Q123 HydrophobicContact CZ3-CG 3.91Å; V32-Q123 PolarHBondContact O-NE2 3.12Å; L34-Q123 HydrophobicContact CD1-CB 4.47Å; C119-Q123 WeakPolarHBondContact O-CB 3.29Å; C119-Q123 PolarHBondContact O-N 2.85Å; Q123-Q127 WeakPolarHBondContact O-CB 3.38Å; Q123-Q127 PolarHBondContact O-N 3.29Å
124	S	97.2	Very high	95.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-64.7	-47.3	-179.5	-62.4	0	0	0	0	112.3	L96 M120 L121 Y122 Q127 I128	L96-S124 VanDerWaalsContact CD2-CB 3.5Å; M120-S124 VanDerWaalsContact O-CB 3.29Å; M120-S124 WeakPolarHBondContact O-CB 3.5Å; M120-S124 PolarHBondContact O-N 3.38Å; M120-S124 PolarHBondContact O-OG 3.38Å; L121-S124 PolarHBondContact O-N 2.76Å; Y122-S124 VanDerWaalsContact C-N 3.3Å; Y122-S124 PolarHBondContact O-N 2.99Å; S124-Q127 PolarHBondContact O-N 2.9Å; S124-I128 WeakPolarHBondContact O-CG1 3.39Å; S124-I128 PolarHBondContact O-N 3.47Å; S124-I128 VanDerWaalsContact O-N 3.16Å
125	A	97.6	Very high	94.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-67.3	-39.2	177.3	0	0	0	0	0	112.7	L42 V53 I57 L121 Y122 I128 A129 I157	L42-A125 HydrophobicContact CD1-CB 3.99Å; L42-A125 HydrophobicContact CD2-CB 3.89Å; V53-A125 HydrophobicContact CG1-CB 3.88Å; I57-A125 HydrophobicContact CD1-CB 4.33Å; I57-A125 HydrophobicContact CG1-CB 4.2Å; L121-A125 WeakPolarHBondContact O-CB 3.16Å; L121-A125 PolarHBondContact O-N 2.89Å; Y122-A125 PolarHBondContact O-N 3.37Å; A125-I128 PolarHBondContact O-N 3.37Å; A125-A129 PolarHBondContact O-N 2.71Å; A125-I157 HydrophobicContact CB-CD1 3.59Å
126	A	96.8	Very high	94.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-62.7	-43.2	174.9	0	0	0	0	0	112.1	V32 Y122 I128 A129 I130 Y160	V32-A126 HydrophobicContact CG1-CB 4.45Å; V32-A126 HydrophobicContact CG2-CB 4.1Å; Y122-A126 HydrophobicContact CE1-CB 4.25Å; Y122-A126 WeakPolarHBondContact O-CB 3.34Å; Y122-A126 PolarHBondContact O-N 3.27Å; A126-I128 VanDerWaalsContact C-N 3.34Å; A126-I128 PolarHBondContact O-N 2.92Å; A126-A129 PolarHBondContact O-N 3.18Å; A126-I130 WeakPolarHBondContact O-CD1 3.41Å; A126-I130 WeakPolarHBondContact O-CG1 3.21Å; A126-I130 PolarHBondContact O-N 3.41Å; A126-Y160 HydrophobicContact CB-CD2 3.5Å; A126-Y160 HydrophobicContact CB-CE1 4.43Å; A126-Y160 HydrophobicContact CB-CE2 3.34Å; A126-Y160 HydrophobicContact CB-CG 4.13Å
127	Q	96.5	Very high	93.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.8	-44.6	174.4	-173.2	65.1	63.9	0	0	111.1	W30 D31 I102 Q123 S124 A129 I130 E131	W30-Q127 HydrophobicContact CE3-CB 4.06Å; W30-Q127 HydrophobicContact CE3-CG 4.03Å; W30-Q127 HydrophobicContact CZ3-CB 3.94Å; W30-Q127 HydrophobicContact CZ3-CG 4.06Å; D31-Q127 PolarHBondContact OD2-NE2 2.85Å; I102-Q127 HydrophobicContact CD1-CG 3.73Å; Q123-Q127 WeakPolarHBondContact O-CB 3.38Å; Q123-Q127 PolarHBondContact O-N 3.29Å; S124-Q127 PolarHBondContact O-N 2.9Å; Q127-A129 PolarHBondContact O-N 3.15Å; Q127-I130 PolarHBondContact O-N 3.03Å; Q127-E131 HydrophobicContact CG-CG 4.49Å; Q127-E131 PolarHBondContact NE2-OE1 2.95Å; Q127-E131 VanDerWaalsContact O-CG 3.29Å; Q127-E131 WeakPolarHBondContact O-CG 3.5Å; Q127-E131 PolarHBondContact O-N 3.26Å
128	I	96.6	Very high	92.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61.7	-43.8	176.4	-65.2	164.2	0	0	0	111.4	I57 E60 L96 Y100 S124 A125 A126 I130 E131 R132 I157	I57-I128 HydrophobicContact CB-CD1 3.98Å; I57-I128 HydrophobicContact CG1-CD1 3.92Å; I57-I128 HydrophobicContact CG2-CD1 3.85Å; E60-I128 HydrophobicContact CB-CD1 3.95Å; E60-I128 HydrophobicContact CB-CG1 4.36Å; E60-I128 HydrophobicContact CB-CG2 4.14Å; E60-I128 HydrophobicContact CG-CD1 4.23Å; E60-I128 HydrophobicContact CG-CG1 4.07Å; E60-I128 HydrophobicContact CG-CG2 3.72Å; L96-I128 HydrophobicContact CD1-CD1 3.94Å; L96-I128 HydrophobicContact CD1-CG1 3.95Å; Y100-I128 HydrophobicContact CE2-CG1 3.93Å; S124-I128 WeakPolarHBondContact O-CG1 3.39Å; S124-I128 PolarHBondContact O-N 3.47Å; S124-I128 VanDerWaalsContact O-N 3.16Å; A125-I128 PolarHBondContact O-N 3.37Å; A126-I128 VanDerWaalsContact C-N 3.34Å; A126-I128 PolarHBondContact O-N 2.92Å; I128-I130 VanDerWaalsContact C-N 3.26Å; I128-I130 PolarHBondContact O-N 2.86Å; I128-E131 PolarHBondContact O-N 2.66Å; I128-R132 HydrophobicContact CG2-CG 4.16Å; I128-R132 WeakPolarHBondContact O-CB 3.38Å; I128-R132 VanDerWaalsContact O-CG 3.3Å; I128-R132 WeakPolarHBondContact O-CG 3.17Å; I128-R132 PolarHBondContact O-N 3.16Å; I128-I157 HydrophobicContact CB-CD1 4.31Å; I128-I157 HydrophobicContact CB-CG2 4.44Å; I128-I157 HydrophobicContact CD1-CD1 4.43Å; I128-I157 HydrophobicContact CG2-CD1 4.36Å; I128-I157 HydrophobicContact CG2-CG1 4.38Å; I128-I157 HydrophobicContact CG2-CG2 4.05Å
129	A	95.6	Very high	90.9	Very high	9 Å²	9	33.1 Å²	33.1	7%	0.074	19%	0.187	C	C	.	.	H	α-helix	trans	-57.7	-41.1	176.8	0	0	0	0	0	112.1	A125 A126 Q127 Y133 I157 Y160 I162	A125-A129 PolarHBondContact O-N 2.71Å; A126-A129 PolarHBondContact O-N 3.18Å; Q127-A129 PolarHBondContact O-N 3.15Å; A129-Y133 WeakPolarHBondContact O-CB 3.47Å; A129-Y133 PolarHBondContact O-N 3.46Å; A129-I157 HydrophobicContact CB-CG2 3.68Å; A129-Y160 HydrophobicContact CB-CD1 3.59Å; A129-Y160 HydrophobicContact CB-CG 3.95Å; A129-I162 HydrophobicContact CB-CD1 4.33Å
130	I	94.4	Very high	90	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-66.9	-44.5	177	-70.1	162.9	0	0	0	111.6	D31 V32 A126 Q127 I128 Y133 K134 Y160 I162 I166	D31-I130 HydrophobicContact CB-CD1 3.73Å; D31-I130 HydrophobicContact CB-CG2 4.15Å; V32-I130 HydrophobicContact CG2-CD1 3.53Å; A126-I130 WeakPolarHBondContact O-CD1 3.41Å; A126-I130 WeakPolarHBondContact O-CG1 3.21Å; A126-I130 PolarHBondContact O-N 3.41Å; Q127-I130 PolarHBondContact O-N 3.03Å; I128-I130 VanDerWaalsContact C-N 3.26Å; I128-I130 PolarHBondContact O-N 2.86Å; I130-Y133 PolarHBondContact O-N 3.26Å; I130-K134 HydrophobicContact CG2-CD 3.89Å; I130-K134 VanDerWaalsContact CG2-CE 3.44Å; I130-K134 HydrophobicContact CG2-CG 4.46Å; I130-K134 WeakPolarHBondContact O-CB 3.38Å; I130-K134 VanDerWaalsContact O-CG 3.31Å; I130-K134 WeakPolarHBondContact O-CG 3.42Å; I130-K134 PolarHBondContact O-N 2.81Å; I130-Y160 HydrophobicContact CD1-CE1 3.9Å; I130-Y160 HydrophobicContact CG1-CE1 3.78Å; I130-I162 HydrophobicContact CG1-CD1 4.11Å; I130-I166 HydrophobicContact CB-CD1 4.5Å; I130-I166 HydrophobicContact CD1-CD1 3.49Å; I130-I166 VanDerWaalsContact CD1-CD1 3.49Å; I130-I166 HydrophobicContact CG1-CD1 3.72Å; I130-I166 HydrophobicContact CG2-CD1 3.98Å; I130-I166 HydrophobicContact CG2-CG2 4.08Å
131	E	93.5	Very high	89	Confident	16 Å²	16	44.7 Å²	44.7	8%	0.075	25%	0.246	C	C	.	.	H	α-helix	trans	-66.9	-37.7	178	-65.3	-64.9	112.2	0	0	112.1	K28 Y100 Q127 I128 K135	K28-E131 IonicContact NZ-OE1 2.68Å; K28-E131 PolarHBondContact NZ-OE1 2.97Å; K28-E131 IonicContact NZ-OE2 2.69Å; K28-E131 PolarHBondContact NZ-OE2 3.4Å; Y100-E131 HydrophobicContact CD1-CB 4.12Å; Y100-E131 HydrophobicContact CD1-CG 3.66Å; Y100-E131 WeakPolarHBondContact CD1-OE2 3.43Å; Y100-E131 HydrophobicContact CD2-CG 4.28Å; Y100-E131 HydrophobicContact CE1-CB 3.53Å; Y100-E131 HydrophobicContact CE1-CG 3.57Å; Y100-E131 HydrophobicContact CE2-CB 4.49Å; Y100-E131 HydrophobicContact CE2-CG 4.17Å; Y100-E131 HydrophobicContact CG-CG 4.01Å; Q127-E131 HydrophobicContact CG-CG 4.49Å; Q127-E131 PolarHBondContact NE2-OE1 2.95Å; Q127-E131 VanDerWaalsContact O-CG 3.29Å; Q127-E131 WeakPolarHBondContact O-CG 3.5Å; Q127-E131 PolarHBondContact O-N 3.26Å; I128-E131 PolarHBondContact O-N 2.66Å; E131-K135 WeakPolarHBondContact O-CB 3.5Å; E131-K135 VanDerWaalsContact O-CG 3.26Å; E131-K135 WeakPolarHBondContact O-CG 3.25Å; E131-K135 PolarHBondContact O-N 2.82Å; E131-K135 VanDerWaalsContact O-N 3.09Å
132	R	93	Very high	88.2	Confident	10 Å²	10	46.5 Å²	46.5	4%	0.038	26%	0.255	C	S	.	.	H	α-helix	trans	-62.8	-46.3	171.7	-71	-174.1	-177.6	164.5	5	111	E60 I128 K135 L136 Y144 G153	E60-R132 IonicContact OE2-CZ 2.76Å; E60-R132 IonicContact OE2-NE 3.13Å; E60-R132 PolarHBondContact OE2-NE 3.34Å; E60-R132 IonicContact OE2-NH2 3.17Å; E60-R132 PolarHBondContact OE2-NH2 3.06Å; I128-R132 HydrophobicContact CG2-CG 4.16Å; I128-R132 WeakPolarHBondContact O-CB 3.38Å; I128-R132 VanDerWaalsContact O-CG 3.3Å; I128-R132 WeakPolarHBondContact O-CG 3.17Å; I128-R132 PolarHBondContact O-N 3.16Å; R132-K135 PolarHBondContact O-N 3.29Å; R132-L136 VanDerWaalsContact O-CG 3.26Å; R132-L136 WeakPolarHBondContact O-CG 3.5Å; R132-L136 PolarHBondContact O-N 2.85Å; R132-Y144 HydrophobicContact CB-CE2 4.26Å; R132-Y144 HydrophobicContact CG-CD2 4.25Å; R132-Y144 HydrophobicContact CG-CE1 4.5Å; R132-Y144 HydrophobicContact CG-CE2 3.53Å; R132-G153 PolarHBondContact NH1-O 3.23Å
133	Y	90.5	Very high	87.4	Confident	69 Å²	69	49.5 Å²	49.5	27%	0.271	28%	0.275	S	S	.	.	H	α-helix	trans	-60.6	-46.8	176.6	178	-104.7	0	0	0	112.2	A129 I130 K135 L136 I162 I166 H170	A129-Y133 WeakPolarHBondContact O-CB 3.47Å; A129-Y133 PolarHBondContact O-N 3.46Å; I130-Y133 PolarHBondContact O-N 3.26Å; Y133-K135 VanDerWaalsContact C-N 3.26Å; Y133-K135 PolarHBondContact O-N 3.44Å; Y133-L136 PolarHBondContact O-N 3.06Å; Y133-I162 HydrophobicContact CD1-CG2 3.88Å; Y133-I162 HydrophobicContact CD2-CG1 4.37Å; Y133-I162 HydrophobicContact CE1-CG2 4.14Å; Y133-I162 HydrophobicContact CG-CD1 4.16Å; Y133-I162 HydrophobicContact CG-CG1 4.08Å; Y133-I162 HydrophobicContact CG-CG2 4.23Å; Y133-I166 HydrophobicContact CD1-CG2 4.35Å; Y133-H170 HydrophobicContact CE1-CB 4.01Å; Y133-H170 AromaticContact CE1-ND1 3.8Å; Y133-H170 AromaticContact CZ-ND1 3.81Å
134	K	89.5	Confident	86.7	Confident	60 Å²	60	50.4 Å²	50.4	26%	0.261	28%	0.278	S	S	.	.	H	α-helix	trans	-58.7	-35.5	176.7	-73	170.9	179.7	175	0	112.3	D31 I130 H170	D31-K134 IonicContact OD1-NZ 2.87Å; D31-K134 PolarHBondContact OD1-NZ 3.16Å; D31-K134 IonicContact OD2-NZ 2.66Å; D31-K134 PolarHBondContact OD2-NZ 3.18Å; I130-K134 HydrophobicContact CG2-CD 3.89Å; I130-K134 VanDerWaalsContact CG2-CE 3.44Å; I130-K134 HydrophobicContact CG2-CG 4.46Å; I130-K134 WeakPolarHBondContact O-CB 3.38Å; I130-K134 VanDerWaalsContact O-CG 3.31Å; I130-K134 WeakPolarHBondContact O-CG 3.42Å; I130-K134 PolarHBondContact O-N 2.81Å; K134-H170 PolarHBondContact O-NE2 2.91Å
135	K	87.9	Confident	85.8	Confident	121 Å²	121	53.3 Å²	53.3	53%	0.526	30%	0.296	S	S	.	.	H	α-helix	trans	-81.6	-27.1	179.6	-73.3	175.3	-178.5	-176.3	0	115.5	E131 R132 Y133 Q137	E131-K135 WeakPolarHBondContact O-CB 3.5Å; E131-K135 VanDerWaalsContact O-CG 3.26Å; E131-K135 WeakPolarHBondContact O-CG 3.25Å; E131-K135 PolarHBondContact O-N 2.82Å; E131-K135 VanDerWaalsContact O-N 3.09Å; R132-K135 PolarHBondContact O-N 3.29Å; Y133-K135 VanDerWaalsContact C-N 3.26Å; Y133-K135 PolarHBondContact O-N 3.44Å; K135-Q137 PolarHBondContact O-N 3.25Å
136	L	84.5	Confident	85.1	Confident	55 Å²	55	57.7 Å²	57.7	29%	0.288	32%	0.323	S	S	.	.			trans	-77	104.6	-174.3	-77.8	165.2	0	0	0	111.1	R132 Y133 N142	R132-L136 VanDerWaalsContact O-CG 3.26Å; R132-L136 WeakPolarHBondContact O-CG 3.5Å; R132-L136 PolarHBondContact O-N 2.85Å; Y133-L136 PolarHBondContact O-N 3.06Å; L136-N142 HydrophobicContact CD2-CB 4.26Å
137	Q	71.5	Confident	84.7	Confident	132 Å²	132	60 Å²	60	62%	0.617	35%	0.347	S	S	*	.			trans	-78.3	145.5	169.1	-63.1	-176	15.8	0	0	110.8	K135 G139 V140	K135-Q137 PolarHBondContact O-N 3.25Å; Q137-G139 PolarHBondContact O-N 2.88Å; Q137-V140 HydrophobicContact CB-CG2 3.94Å; Q137-V140 PolarHBondContact O-N 3.04Å
138	P	70.4	Confident	84.5	Confident	111 Å²	111	65.7 Å²	65.7	72%	0.721	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	134.3	172.8	26.3	-33.9	0	0	0	110.7
139	G	69.1	Low	84.4	Confident	89 Å²	89	70.2 Å²	70.2	92%	0.918	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.2	-16.7	-179.2	0	0	0	0	0	115.8	Q137	Q137-G139 PolarHBondContact O-N 2.88Å
140	V	76.8	Confident	84.2	Confident	89 Å²	89	73.5 Å²	73.5	54%	0.539	41%	0.407	S	S	.	.	S	Bend	trans	-80.5	131.9	176.3	-179.8	0	0	0	0	110.5	Q137 N142	Q137-V140 HydrophobicContact CB-CG2 3.94Å; Q137-V140 PolarHBondContact O-N 3.04Å; V140-N142 PolarHBondContact O-N 3.25Å
141	Q	76.6	Confident	84.2	Confident	172 Å²	172	79.5 Å²	79.5	80%	0.804	43%	0.433	S	S	*	.			trans	-59.9	130.4	175.3	-68.5	-169.6	12.7	0	0	110.9	P143	Q141-P143 VanDerWaalsContact O-CD 3.26Å; Q141-P143 WeakPolarHBondContact O-CD 3.47Å; Q141-P143 VanDerWaalsContact O-N 3.16Å
142	N	79.3	Confident	84.2	Confident	39 Å²	39	81.1 Å²	81.1	21%	0.209	44%	0.441	C	S	.	.			trans	-67.7	111.1	-179.7	178.1	-20.3	0	0	0	110.3	L136 V140 Y144 T145 H154	L136-N142 HydrophobicContact CD2-CB 4.26Å; V140-N142 PolarHBondContact O-N 3.25Å; N142-Y144 PolarHBondContact O-N 3.11Å; N142-Y144 VanDerWaalsContact O-N 3.14Å; N142-Y144 WeakPolarHBondContact OD1-CB 3.13Å; N142-Y144 WeakPolarHBondContact OD1-CD2 3.42Å; N142-Y144 PolarHBondContact OD1-N 2.87Å; N142-T145 HydrophobicContact CB-CG2 3.92Å; N142-T145 PolarHBondContact O-N 3.15Å; N142-T145 PolarHBondContact O-OG1 3.49Å; N142-H154 PolarHBondContact ND2-NE2 3.08Å
143	P	81	Confident	84.3	Confident	62 Å²	62	80.6 Å²	80.6	40%	0.403	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-69.9	-16.2	-171.1	30.1	-36.4	0	0	0	112.9	Q141 T145 T146 R150	Q141-P143 VanDerWaalsContact O-CD 3.26Å; Q141-P143 WeakPolarHBondContact O-CD 3.47Å; Q141-P143 VanDerWaalsContact O-N 3.16Å; P143-T145 PolarHBondContact O-N 2.9Å; P143-T146 PolarHBondContact O-OG1 3.04Å; P143-R150 PolarHBondContact O-NH1 2.9Å
144	Y	81.9	Confident	84.5	Confident	24 Å²	24	79.3 Å²	79.3	9%	0.094	44%	0.436	C	S	.	.	G	3₁₀ helix	trans	-79.8	0.2	-180	-54.6	-75.8	0	0	0	113.2	E60 R132 N142 R150 H154	E60-Y144 PolarHBondContact OE1-OH 3.29Å; E60-Y144 WeakPolarHBondContact OE2-CE1 3.31Å; E60-Y144 PolarHBondContact OE2-OH 3.13Å; R132-Y144 HydrophobicContact CB-CE2 4.26Å; R132-Y144 HydrophobicContact CG-CD2 4.25Å; R132-Y144 HydrophobicContact CG-CE1 4.5Å; R132-Y144 HydrophobicContact CG-CE2 3.53Å; N142-Y144 PolarHBondContact O-N 3.11Å; N142-Y144 VanDerWaalsContact O-N 3.14Å; N142-Y144 WeakPolarHBondContact OD1-CB 3.13Å; N142-Y144 WeakPolarHBondContact OD1-CD2 3.42Å; N142-Y144 PolarHBondContact OD1-N 2.87Å; Y144-R150 CarbonylContact O-C 3.5Å; Y144-R150 VanDerWaalsContact O-C 3.29Å; Y144-H154 VanDerWaalsContact CB-CD2 3.49Å; Y144-H154 WeakPolarHBondContact CB-CD2 3.46Å
145	T	79	Confident	84.7	Confident	62 Å²	62	82.2 Å²	82.2	38%	0.38	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-91.3	-8	-178.9	63.2	0	0	0	0	114.8	N142 P143 K151	N142-T145 HydrophobicContact CB-CG2 3.92Å; N142-T145 PolarHBondContact O-N 3.15Å; N142-T145 PolarHBondContact O-OG1 3.49Å; P143-T145 PolarHBondContact O-N 2.9Å; T145-K151 WeakPolarHBondContact O-CE 3.47Å; T145-K151 VanDerWaalsContact O-CG 3.25Å; T145-K151 WeakPolarHBondContact O-CG 3.45Å
146	T	83.5	Confident	85.1	Confident	91 Å²	91	76.9 Å²	76.9	56%	0.558	43%	0.429	S	S	*	.	S	Bend	trans	-90.8	124.6	-179	51.4	0	0	0	0	112.5	P143 R150	P143-T146 PolarHBondContact O-OG1 3.04Å; T146-R150 WeakPolarHBondContact O-CB 3.47Å; T146-R150 WeakPolarHBondContact O-CD 3.36Å
147	G	88.7	Confident	85.7	Confident	49 Å²	49	74.3 Å²	74.3	51%	0.505	42%	0.416	S	S	.	.	S	Bend	trans	88.6	146	-178.4	0	0	0	0	0	114.6	R150 K151	G147-R150 PolarHBondContact O-N 3.29Å; G147-K151 WeakPolarHBondContact O-CG 3.46Å; G147-K151 PolarHBondContact O-N 2.65Å
148	L	92.2	Very high	86.8	Confident	119 Å²	119	71.3 Å²	71.3	62%	0.623	41%	0.409	S	S	*	.	H	α-helix	trans	-56.8	-55.5	-173.1	175.9	60.8	0	0	0	112.6	R150 K151 I152	L148-R150 VanDerWaalsContact C-N 3.32Å; L148-R150 PolarHBondContact O-N 3.39Å; L148-K151 WeakPolarHBondContact O-CB 3.27Å; L148-K151 PolarHBondContact O-N 3.46Å; L148-I152 HydrophobicContact CD1-CD1 4.27Å; L148-I152 HydrophobicContact CG-CD1 4.27Å; L148-I152 WeakPolarHBondContact O-CG1 3.21Å; L148-I152 PolarHBondContact O-N 3.34Å; L148-I152 VanDerWaalsContact O-N 3.16Å
149	F	93.2	Very high	88	Confident	96 Å²	96	67.8 Å²	67.8	42%	0.421	39%	0.386	S	S	.	.	H	α-helix	trans	-65.6	-36.3	-179.2	-54.8	-54.9	0	0	0	112.1	Q59 W65 C66 K151 I152 G153	Q59-F149 VanDerWaalsContact OE1-C 3.25Å; Q59-F149 PolarHBondContact OE1-O 3.36Å; W65-F149 HydrophobicContact CB-CB 3.91Å; W65-F149 AromaticContact CE3-CD1 3.89Å; W65-F149 HydrophobicContact CE3-CD1 3.89Å; W65-F149 HydrophobicContact CE3-CG 4.48Å; W65-F149 HydrophobicContact CG-CB 4.32Å; W65-F149 HydrophobicContact CZ3-CD1 4.41Å; C66-F149 WeakPolarHBondContact SG-CE1 3.39Å; C66-F149 VanDerWaalsContact SG-CZ 3.51Å; F149-K151 VanDerWaalsContact C-N 3.32Å; F149-K151 PolarHBondContact O-N 3.39Å; F149-I152 HydrophobicContact CD1-CD1 4.23Å; F149-I152 WeakPolarHBondContact O-CB 3.38Å; F149-I152 PolarHBondContact O-N 2.84Å; F149-G153 PolarHBondContact O-N 2.88Å
150	R	92.9	Very high	89.3	Confident	78 Å²	78	64.1 Å²	64.1	29%	0.294	35%	0.345	S	S	.	.	H	α-helix	trans	-60.7	-42.2	177	-140.9	178.8	-161	-175.5	15.6	111.7	P143 Y144 T146 G147 L148 G153 H154	P143-R150 PolarHBondContact O-NH1 2.9Å; Y144-R150 CarbonylContact O-C 3.5Å; Y144-R150 VanDerWaalsContact O-C 3.29Å; T146-R150 WeakPolarHBondContact O-CB 3.47Å; T146-R150 WeakPolarHBondContact O-CD 3.36Å; G147-R150 PolarHBondContact O-N 3.29Å; L148-R150 VanDerWaalsContact C-N 3.32Å; L148-R150 PolarHBondContact O-N 3.39Å; R150-G153 PolarHBondContact O-N 2.89Å; R150-H154 VanDerWaalsContact O-CB 3.31Å; R150-H154 WeakPolarHBondContact O-CB 3.41Å; R150-H154 PolarHBondContact O-N 3.11Å
151	K	93	Very high	90.1	Very high	126 Å²	126	63.9 Å²	63.9	55%	0.548	35%	0.348	S	S	.	.	H	α-helix	trans	-59.6	-42.9	171.8	-69.9	179.2	179.9	-175.2	0	112.6	T145 G147 L148 F149 H154 M155	T145-K151 WeakPolarHBondContact O-CE 3.47Å; T145-K151 VanDerWaalsContact O-CG 3.25Å; T145-K151 WeakPolarHBondContact O-CG 3.45Å; G147-K151 WeakPolarHBondContact O-CG 3.46Å; G147-K151 PolarHBondContact O-N 2.65Å; L148-K151 WeakPolarHBondContact O-CB 3.27Å; L148-K151 PolarHBondContact O-N 3.46Å; F149-K151 VanDerWaalsContact C-N 3.32Å; F149-K151 PolarHBondContact O-N 3.39Å; K151-H154 PolarHBondContact O-N 2.88Å; K151-M155 WeakPolarHBondContact O-CB 3.3Å; K151-M155 PolarHBondContact O-N 2.96Å
152	I	94.3	Very high	90.9	Very high	49 Å²	49	57 Å²	57	25%	0.251	32%	0.316	S	S	.	.	H	α-helix	trans	-63	-51.4	176.8	-65.4	166.4	0	0	0	110.3	W65 L148 F149 H154 M155 I156	W65-I152 HydrophobicContact CH2-CG2 3.96Å; W65-I152 HydrophobicContact CZ2-CG2 3.54Å; L148-I152 HydrophobicContact CD1-CD1 4.27Å; L148-I152 HydrophobicContact CG-CD1 4.27Å; L148-I152 WeakPolarHBondContact O-CG1 3.21Å; L148-I152 PolarHBondContact O-N 3.34Å; L148-I152 VanDerWaalsContact O-N 3.16Å; F149-I152 HydrophobicContact CD1-CD1 4.23Å; F149-I152 WeakPolarHBondContact O-CB 3.38Å; F149-I152 PolarHBondContact O-N 2.84Å; I152-H154 PolarHBondContact O-N 3.07Å; I152-M155 PolarHBondContact O-N 3.4Å; I152-I156 HydrophobicContact CG2-CD1 3.81Å; I152-I156 VanDerWaalsContact O-CG1 3.31Å; I152-I156 WeakPolarHBondContact O-CG1 3.31Å; I152-I156 PolarHBondContact O-N 3.47Å
153	G	94.9	Very high	91.4	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-65.4	-23.6	175.8	0	0	0	0	0	114.1	S56 R132 F149 R150 I157	S56-G153 WeakPolarHBondContact OG-CA 3.32Å; R132-G153 PolarHBondContact NH1-O 3.23Å; F149-G153 PolarHBondContact O-N 2.88Å; R150-G153 PolarHBondContact O-N 2.89Å; G153-I157 WeakPolarHBondContact O-CG1 3.12Å; G153-I157 PolarHBondContact O-N 3.36Å
154	H	94.2	Very high	91.8	Very high	42 Å²	42	63 Å²	63	19%	0.194	33%	0.33	C	S	.	.	H	α-helix	trans	-71.5	-54.7	169.5	-177.2	-98	0	0	0	110.9	N142 Y144 R150 K151 I152 I156 I157 S158	N142-H154 PolarHBondContact ND2-NE2 3.08Å; Y144-H154 VanDerWaalsContact CB-CD2 3.49Å; Y144-H154 WeakPolarHBondContact CB-CD2 3.46Å; R150-H154 VanDerWaalsContact O-CB 3.31Å; R150-H154 WeakPolarHBondContact O-CB 3.41Å; R150-H154 PolarHBondContact O-N 3.11Å; K151-H154 PolarHBondContact O-N 2.88Å; I152-H154 PolarHBondContact O-N 3.07Å; H154-I156 PolarHBondContact O-N 3.07Å; H154-I157 PolarHBondContact O-N 3.1Å; H154-I157 VanDerWaalsContact O-N 3.08Å; H154-S158 PolarHBondContact CE1-OG 3.24Å; H154-S158 PolarHBondContact O-N 3.03Å; H154-S158 PolarHBondContact O-OG 2.93Å; H154-S158 VanDerWaalsContact O-OG 3.08Å
155	M	94.9	Very high	92.2	Very high	121 Å²	121	67.3 Å²	67.3	60%	0.596	35%	0.347	S	S	*	.	H	α-helix	trans	-51.4	-43.4	178.9	-178.2	-176	73.7	0	0	112.4	K151 I152 S158 C159	K151-M155 WeakPolarHBondContact O-CB 3.3Å; K151-M155 PolarHBondContact O-N 2.96Å; I152-M155 PolarHBondContact O-N 3.4Å; M155-S158 PolarHBondContact O-N 3.46Å; M155-C159 PolarHBondContact O-N 2.87Å; M155-C159 PolarHBondContact O-SG 3.46Å
156	I	96.2	Very high	92.7	Very high	8 Å²	8	64.5 Å²	64.5	4%	0.041	33%	0.329	C	S	.	.	H	α-helix	trans	-63.7	-45.5	178.8	-71.7	170	0	0	0	111.9	L45 C52 V53 S56 W65 I152 H154 C159	L45-I156 HydrophobicContact CD2-CB 4.13Å; L45-I156 HydrophobicContact CD2-CG1 3.9Å; L45-I156 HydrophobicContact CD2-CG2 3.67Å; C52-I156 HydrophobicContact CB-CD1 3.88Å; V53-I156 HydrophobicContact CG2-CG2 4.26Å; S56-I156 WeakPolarHBondContact OG-CD1 3.43Å; S56-I156 WeakPolarHBondContact OG-CG2 3.48Å; W65-I156 HydrophobicContact CZ2-CD1 4.14Å; I152-I156 HydrophobicContact CG2-CD1 3.81Å; I152-I156 VanDerWaalsContact O-CG1 3.31Å; I152-I156 WeakPolarHBondContact O-CG1 3.31Å; I152-I156 PolarHBondContact O-N 3.47Å; H154-I156 PolarHBondContact O-N 3.07Å; I156-C159 VanDerWaalsContact O-CB 3.31Å; I156-C159 WeakPolarHBondContact O-CB 3.49Å; I156-C159 PolarHBondContact O-N 3.06Å
157	I	96.1	Very high	92.9	Very high	2 Å²	2	66.4 Å²	66.4	1%	0.01	33%	0.326	C	S	.	.	H	α-helix	trans	-70.6	-34	177.4	-64	-62.7	0	0	0	111.1	A125 I128 A129 G153 H154 C159 Y160	A125-I157 HydrophobicContact CB-CD1 3.59Å; I128-I157 HydrophobicContact CB-CD1 4.31Å; I128-I157 HydrophobicContact CB-CG2 4.44Å; I128-I157 HydrophobicContact CD1-CD1 4.43Å; I128-I157 HydrophobicContact CG2-CD1 4.36Å; I128-I157 HydrophobicContact CG2-CG1 4.38Å; I128-I157 HydrophobicContact CG2-CG2 4.05Å; A129-I157 HydrophobicContact CB-CG2 3.68Å; G153-I157 WeakPolarHBondContact O-CG1 3.12Å; G153-I157 PolarHBondContact O-N 3.36Å; H154-I157 PolarHBondContact O-N 3.1Å; H154-I157 VanDerWaalsContact O-N 3.08Å; I157-C159 PolarHBondContact O-N 3.33Å; I157-C159 VanDerWaalsContact O-N 3.13Å; I157-Y160 WeakPolarHBondContact O-CB 3.04Å; I157-Y160 PolarHBondContact O-N 2.97Å; I157-Y160 VanDerWaalsContact O-N 3.1Å
158	S	94.4	Very high	93	Very high	69 Å²	69	68.2 Å²	68.2	48%	0.483	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-6.9	173.6	-60.1	0	0	0	0	114.4	H154 M155 Y160	H154-S158 PolarHBondContact CE1-OG 3.24Å; H154-S158 PolarHBondContact O-N 3.03Å; H154-S158 PolarHBondContact O-OG 2.93Å; H154-S158 VanDerWaalsContact O-OG 3.08Å; M155-S158 PolarHBondContact O-N 3.46Å; S158-Y160 PolarHBondContact O-N 3.17Å
159	C	95.6	Very high	92.7	Very high	36 Å²	36	67.7 Å²	67.7	24%	0.243	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-10.9	168.1	-67.6	0	0	0	0	113.5	K41 L42 M155 I156 I157	K41-C159 HydrophobicContact CB-CB 3.92Å; L42-C159 HydrophobicContact CB-CB 4.17Å; M155-C159 PolarHBondContact O-N 2.87Å; M155-C159 PolarHBondContact O-SG 3.46Å; I156-C159 VanDerWaalsContact O-CB 3.31Å; I156-C159 WeakPolarHBondContact O-CB 3.49Å; I156-C159 PolarHBondContact O-N 3.06Å; I157-C159 PolarHBondContact O-N 3.33Å; I157-C159 VanDerWaalsContact O-N 3.13Å
160	Y	96.2	Very high	92.3	Very high	12 Å²	12	64.7 Å²	64.7	5%	0.047	31%	0.306	C	S	.	.	S	Bend	trans	-82.8	126	172	-174.7	-102.5	0	0	0	112	V32 S39 L42 Y122 A126 A129 I130 I157 S158 I162 P163	V32-Y160 WeakPolarHBondContact CG2-OH 3.28Å; S39-Y160 WeakPolarHBondContact OG-CD2 3.37Å; L42-Y160 HydrophobicContact CD2-CD2 4.05Å; L42-Y160 HydrophobicContact CD2-CG 4.49Å; Y122-Y160 HydrophobicContact CE1-CE2 4.5Å; Y122-Y160 WeakPolarHBondContact OH-CE2 3.24Å; A126-Y160 HydrophobicContact CB-CD2 3.5Å; A126-Y160 HydrophobicContact CB-CE1 4.43Å; A126-Y160 HydrophobicContact CB-CE2 3.34Å; A126-Y160 HydrophobicContact CB-CG 4.13Å; A129-Y160 HydrophobicContact CB-CD1 3.59Å; A129-Y160 HydrophobicContact CB-CG 3.95Å; I130-Y160 HydrophobicContact CD1-CE1 3.9Å; I130-Y160 HydrophobicContact CG1-CE1 3.78Å; I157-Y160 WeakPolarHBondContact O-CB 3.04Å; I157-Y160 PolarHBondContact O-N 2.97Å; I157-Y160 VanDerWaalsContact O-N 3.1Å; S158-Y160 PolarHBondContact O-N 3.17Å; Y160-I162 HydrophobicContact CD1-CD1 3.94Å; Y160-I162 HydrophobicContact CE1-CD1 4.1Å; Y160-P163 WeakPolarHBondContact OH-CD 3.49Å; Y160-P163 WeakPolarHBondContact OH-CG 3.26Å
161	S	93.8	Very high	91.8	Very high	85 Å²	85	66.4 Å²	66.4	59%	0.594	32%	0.32	S	S	*	.			trans	-86.7	114.4	173.3	-170.7	0	0	0	0	110.4	S39 P163	S39-S161 PolarHBondContact OG-N 3.25Å; S161-P163 VanDerWaalsContact O-CD 3.26Å; S161-P163 WeakPolarHBondContact O-CD 3.31Å
162	I	93	Very high	91.5	Very high	27 Å²	27	64.9 Å²	64.9	14%	0.138	32%	0.318	C	S	.	.			trans	-61.4	116.9	179.3	-57.3	-67.9	0	0	0	110.1	A129 I130 Y133 Y160 I166	A129-I162 HydrophobicContact CB-CD1 4.33Å; I130-I162 HydrophobicContact CG1-CD1 4.11Å; Y133-I162 HydrophobicContact CD1-CG2 3.88Å; Y133-I162 HydrophobicContact CD2-CG1 4.37Å; Y133-I162 HydrophobicContact CE1-CG2 4.14Å; Y133-I162 HydrophobicContact CG-CD1 4.16Å; Y133-I162 HydrophobicContact CG-CG1 4.08Å; Y133-I162 HydrophobicContact CG-CG2 4.23Å; Y160-I162 HydrophobicContact CD1-CD1 3.94Å; Y160-I162 HydrophobicContact CE1-CD1 4.1Å; I162-I166 HydrophobicContact CG2-CB 4.16Å; I162-I166 HydrophobicContact CG2-CG2 4.33Å
163	P	90.6	Very high	90.9	Very high	22 Å²	22	65.4 Å²	65.4	14%	0.143	33%	0.326	C	S	.	.			trans	-61.8	144.4	179	-23.4	34.1	0	0	0	112.3	Y160 S161 R165 I166	Y160-P163 WeakPolarHBondContact OH-CD 3.49Å; Y160-P163 WeakPolarHBondContact OH-CG 3.26Å; S161-P163 VanDerWaalsContact O-CD 3.26Å; S161-P163 WeakPolarHBondContact O-CD 3.31Å; P163-R165 VanDerWaalsContact C-N 3.31Å; P163-R165 HydrophobicContact CB-CG 4.35Å; P163-R165 PolarHBondContact O-N 3.01Å; P163-I166 PolarHBondContact O-N 2.85Å
164	R	89.5	Confident	90.1	Very high	205 Å²	205	68.5 Å²	68.5	77%	0.774	34%	0.341	S	S	*	.	H	α-helix	trans	-47.8	-49.6	-178.9	-67.9	-172.1	-177	-179.6	1	112.5	I166 R167 D168	R164-I166 PolarHBondContact O-N 2.79Å; R164-R167 WeakPolarHBondContact O-CA 3.38Å; R164-R167 VanDerWaalsContact O-CB 3.28Å; R164-R167 WeakPolarHBondContact O-CB 3.37Å; R164-R167 PolarHBondContact O-N 3.34Å; R164-D168 PolarHBondContact O-N 2.91Å
165	R	91	Very high	89.3	Confident	115 Å²	115	69 Å²	69	43%	0.434	35%	0.349	S	S	.	.	H	α-helix	trans	-42.5	-40.3	178	77.6	-175.2	-179.4	-154.1	-0.5	114.7	D31 P163 D168 E169	D31-R165 PolarHBondContact O-NH2 3.4Å; P163-R165 VanDerWaalsContact C-N 3.31Å; P163-R165 HydrophobicContact CB-CG 4.35Å; P163-R165 PolarHBondContact O-N 3.01Å; R165-D168 PolarHBondContact N-OD2 3.28Å; R165-E169 VanDerWaalsContact O-CB 3.23Å; R165-E169 WeakPolarHBondContact O-CB 3.11Å; R165-E169 PolarHBondContact O-N 2.9Å
166	I	88.8	Confident	88.4	Confident	2 Å²	2	67.8 Å²	67.8	1%	0.01	34%	0.344	C	S	.	.	H	α-helix	trans	-81	-33	-176.5	-54.7	-173.1	0	0	0	111.4	D31 I130 Y133 I162 P163 R164 H170	D31-I166 HydrophobicContact CB-CD1 4.39Å; I130-I166 HydrophobicContact CB-CD1 4.5Å; I130-I166 HydrophobicContact CD1-CD1 3.49Å; I130-I166 VanDerWaalsContact CD1-CD1 3.49Å; I130-I166 HydrophobicContact CG1-CD1 3.72Å; I130-I166 HydrophobicContact CG2-CD1 3.98Å; I130-I166 HydrophobicContact CG2-CG2 4.08Å; Y133-I166 HydrophobicContact CD1-CG2 4.35Å; I162-I166 HydrophobicContact CG2-CB 4.16Å; I162-I166 HydrophobicContact CG2-CG2 4.33Å; P163-I166 PolarHBondContact O-N 2.85Å; R164-I166 PolarHBondContact O-N 2.79Å; I166-H170 VanDerWaalsContact O-CB 3.24Å; I166-H170 WeakPolarHBondContact O-CB 3.05Å; I166-H170 PolarHBondContact O-N 3.48Å
167	R	88.3	Confident	87.4	Confident	131 Å²	131	73.3 Å²	73.3	49%	0.494	37%	0.373	S	S	.	.	H	α-helix	trans	-67	-43.4	171.6	-177.6	-174.2	-52.3	-154.1	2.9	110.9	R164 H170 L171	R164-R167 WeakPolarHBondContact O-CA 3.38Å; R164-R167 VanDerWaalsContact O-CB 3.28Å; R164-R167 WeakPolarHBondContact O-CB 3.37Å; R164-R167 PolarHBondContact O-N 3.34Å; R167-H170 PolarHBondContact O-N 3.46Å; R167-L171 WeakPolarHBondContact O-CB 3.29Å; R167-L171 PolarHBondContact O-N 3.27Å
168	D	89.1	Confident	86.4	Confident	88 Å²	88	76.8 Å²	76.8	47%	0.471	40%	0.395	S	S	.	.	H	α-helix	trans	-69.2	-42.3	-177.4	-48.3	-32	0	0	0	110.3	R164 R165 L171 N172	R164-D168 PolarHBondContact O-N 2.91Å; R165-D168 PolarHBondContact N-OD2 3.28Å; D168-L171 PolarHBondContact O-N 2.91Å; D168-N172 WeakPolarHBondContact O-CB 3.34Å; D168-N172 PolarHBondContact O-N 3.49Å
169	E	87.1	Confident	85.4	Confident	108 Å²	108	77.2 Å²	77.2	51%	0.505	39%	0.394	S	S	.	.	H	α-helix	trans	-60.8	-44.6	171.3	-176	-171.7	165.3	0	0	112.8	R165 S173	R165-E169 VanDerWaalsContact O-CB 3.23Å; R165-E169 WeakPolarHBondContact O-CB 3.11Å; R165-E169 PolarHBondContact O-N 2.9Å; E169-S173 WeakPolarHBondContact O-CB 3.26Å; E169-S173 PolarHBondContact O-N 3.01Å; E169-S173 PolarHBondContact O-OG 3.41Å
170	H	84.1	Confident	84.1	Confident	32 Å²	32	80.4 Å²	80.4	15%	0.148	41%	0.409	C	S	.	.	H	α-helix	trans	-65.3	-42.9	177.8	-171.1	-123.8	0	0	0	111.9	Y133 K134 I166 R167 S173 Q174	Y133-H170 HydrophobicContact CE1-CB 4.01Å; Y133-H170 AromaticContact CE1-ND1 3.8Å; Y133-H170 AromaticContact CZ-ND1 3.81Å; K134-H170 PolarHBondContact O-NE2 2.91Å; I166-H170 VanDerWaalsContact O-CB 3.24Å; I166-H170 WeakPolarHBondContact O-CB 3.05Å; I166-H170 PolarHBondContact O-N 3.48Å; R167-H170 PolarHBondContact O-N 3.46Å; H170-S173 WeakPolarHBondContact O-CB 3.37Å; H170-S173 PolarHBondContact O-N 3.43Å; H170-Q174 PolarHBondContact CE1-NE2 3.41Å; H170-Q174 VanDerWaalsContact CE1-NE2 3.26Å; H170-Q174 WeakPolarHBondContact O-CG 3.41Å; H170-Q174 PolarHBondContact O-N 2.03Å
171	L	83.8	Confident	82.6	Confident	114 Å²	114	82.7 Å²	82.7	60%	0.597	43%	0.427	S	S	*	.	H	α-helix	trans	-65.3	-43	177.4	-173.9	64.6	0	0	0	111.8	R167 D168 S173 Q174 S175	R167-L171 WeakPolarHBondContact O-CB 3.29Å; R167-L171 PolarHBondContact O-N 3.27Å; D168-L171 PolarHBondContact O-N 2.91Å; L171-S173 VanDerWaalsContact C-N 3.3Å; L171-S173 PolarHBondContact O-N 3.38Å; L171-Q174 PolarHBondContact O-N 2.95Å; L171-S175 PolarHBondContact O-N 2.93Å
172	N	85.2	Confident	81.3	Confident	94 Å²	94	83.3 Å²	83.3	50%	0.503	42%	0.423	S	S	.	.	H	α-helix	trans	-65.8	-33.8	175.5	-168.4	40.2	0	0	0	112.2	D168 S175 L176	D168-N172 WeakPolarHBondContact O-CB 3.34Å; D168-N172 PolarHBondContact O-N 3.49Å; N172-S175 WeakPolarHBondContact CA-OG 3.36Å; N172-S175 PolarHBondContact O-OG 3.36Å; N172-L176 VanDerWaalsContact O-CG 3.31Å; N172-L176 WeakPolarHBondContact O-CG 3.47Å; N172-L176 PolarHBondContact O-N 3.34Å; N172-L176 VanDerWaalsContact O-N 3.13Å
173	S	82.5	Confident	79.8	Confident	60 Å²	60	85.7 Å²	85.7	42%	0.42	44%	0.439	S	S	.	.	H	α-helix	trans	-65.2	-38.6	173.2	-57.3	0	0	0	0	111.9	E169 H170 L171 L177	E169-S173 WeakPolarHBondContact O-CB 3.26Å; E169-S173 PolarHBondContact O-N 3.01Å; E169-S173 PolarHBondContact O-OG 3.41Å; H170-S173 WeakPolarHBondContact O-CB 3.37Å; H170-S173 PolarHBondContact O-N 3.43Å; L171-S173 VanDerWaalsContact C-N 3.3Å; L171-S173 PolarHBondContact O-N 3.38Å; S173-L177 WeakPolarHBondContact O-CG 3.35Å; S173-L177 PolarHBondContact O-N 3.19Å
174	Q	78.9	Confident	78.2	Confident	66 Å²	66	90.9 Å²	90.9	31%	0.308	47%	0.465	S	S	.	.	H	α-helix	trans	-73.2	-38.6	176.8	-71.4	-175.8	5.7	0	0	112.8	H170 L171 L177 T178	H170-Q174 PolarHBondContact CE1-NE2 3.41Å; H170-Q174 VanDerWaalsContact CE1-NE2 3.26Å; H170-Q174 WeakPolarHBondContact O-CG 3.41Å; H170-Q174 PolarHBondContact O-N 2.03Å; L171-Q174 PolarHBondContact O-N 2.95Å; Q174-L177 PolarHBondContact O-N 2.84Å; Q174-T178 PolarHBondContact O-N 3.14Å; Q174-T178 PolarHBondContact O-OG1 3.3Å
175	S	77.1	Confident	76.5	Confident	53 Å²	53	86.4 Å²	86.4	37%	0.371	46%	0.456	S	S	.	.	H	α-helix	trans	-64.9	-44.2	177.6	65.3	0	0	0	0	111.3	L171 N172 L177 T178 T179	L171-S175 PolarHBondContact O-N 2.93Å; N172-S175 WeakPolarHBondContact CA-OG 3.36Å; N172-S175 PolarHBondContact O-OG 3.36Å; S175-L177 PolarHBondContact O-N 3.42Å; S175-T178 WeakPolarHBondContact O-CB 3.38Å; S175-T178 PolarHBondContact O-N 3.48Å; S175-T178 VanDerWaalsContact O-N 3.11Å; S175-T179 PolarHBondContact O-N 3.45Å; S175-T179 PolarHBondContact O-OG1 3.19Å; S175-T179 VanDerWaalsContact O-OG1 3.11Å
176	L	76.1	Confident	74.8	Confident	94 Å²	94	86.5 Å²	86.5	49%	0.492	47%	0.465	S	S	.	.	H	α-helix	trans	-61.3	-40.3	176.2	-70.4	171.8	0	0	0	112.7	N172 T178 N180	N172-L176 VanDerWaalsContact O-CG 3.31Å; N172-L176 WeakPolarHBondContact O-CG 3.47Å; N172-L176 PolarHBondContact O-N 3.34Å; N172-L176 VanDerWaalsContact O-N 3.13Å; L176-T178 VanDerWaalsContact C-N 3.32Å; L176-T178 PolarHBondContact O-N 3.33Å; L176-N180 WeakPolarHBondContact O-CB 3.05Å; L176-N180 PolarHBondContact O-N 3.21Å; L176-N180 PolarHBondContact O-ND2 3Å
177	L	75.3	Confident	73	Confident	124 Å²	124	90.9 Å²	90.9	65%	0.649	49%	0.492	S	S	*	.	H	α-helix	trans	-63.4	-38.3	173.4	-72.7	169.9	0	0	0	112.2	S173 Q174 S175 S181	S173-L177 WeakPolarHBondContact O-CG 3.35Å; S173-L177 PolarHBondContact O-N 3.19Å; Q174-L177 PolarHBondContact O-N 2.84Å; S175-L177 PolarHBondContact O-N 3.42Å; L177-S181 PolarHBondContact O-N 3.2Å; L177-S181 VanDerWaalsContact O-N 3.09Å; L177-S181 PolarHBondContact O-OG 3.15Å
178	T	74.1	Confident	71	Confident	76 Å²	76	92.8 Å²	92.8	47%	0.466	51%	0.506	S	S	.	.	H	α-helix	trans	-69.8	-44.1	178.1	-53.4	0	0	0	0	111.8	Q174 S175 L176 S181 L182	Q174-T178 PolarHBondContact O-N 3.14Å; Q174-T178 PolarHBondContact O-OG1 3.3Å; S175-T178 WeakPolarHBondContact O-CB 3.38Å; S175-T178 PolarHBondContact O-N 3.48Å; S175-T178 VanDerWaalsContact O-N 3.11Å; L176-T178 VanDerWaalsContact C-N 3.32Å; L176-T178 PolarHBondContact O-N 3.33Å; T178-S181 PolarHBondContact O-N 2.77Å; T178-S181 PolarHBondContact O-OG 3.42Å; T178-L182 HydrophobicContact CG2-CD1 4.18Å; T178-L182 VanDerWaalsContact O-CG 3.31Å; T178-L182 WeakPolarHBondContact O-CG 3.49Å; T178-L182 PolarHBondContact O-N 3.39Å; T178-L182 VanDerWaalsContact O-N 3.07Å
179	T	73.6	Confident	68.7	Low	77 Å²	77	96.7 Å²	96.7	47%	0.472	52%	0.524	S	S	.	.	H	α-helix	trans	-62.1	-44.5	175.4	-59.4	0	0	0	0	110.8	S175 S181 L182 T183	S175-T179 PolarHBondContact O-N 3.45Å; S175-T179 PolarHBondContact O-OG1 3.19Å; S175-T179 VanDerWaalsContact O-OG1 3.11Å; T179-S181 PolarHBondContact O-N 2.82Å; T179-L182 PolarHBondContact O-N 2.82Å; T179-T183 PolarHBondContact O-N 3.1Å; T179-T183 PolarHBondContact O-OG1 2.95Å
180	N	68.2	Low	66.3	Low	104 Å²	104	96.2 Å²	96.2	56%	0.556	53%	0.532	S	S	*	.	H	α-helix	trans	-65.4	-37.3	-179.9	-72	-18	0	0	0	112.6	L176 L184	L176-N180 WeakPolarHBondContact O-CB 3.05Å; L176-N180 PolarHBondContact O-N 3.21Å; L176-N180 PolarHBondContact O-ND2 3Å; N180-L184 WeakPolarHBondContact O-CB 3.27Å; N180-L184 PolarHBondContact O-N 3.41Å
181	S	64.2	Low	63.8	Low	59 Å²	59	101.3 Å²	101.3	41%	0.413	56%	0.561	S	S	.	*	H	α-helix	trans	-70.9	-37.2	176.5	65.3	0	0	0	0	112.6	L177 T178 T179 L184 N185	L177-S181 PolarHBondContact O-N 3.2Å; L177-S181 VanDerWaalsContact O-N 3.09Å; L177-S181 PolarHBondContact O-OG 3.15Å; T178-S181 PolarHBondContact O-N 2.77Å; T178-S181 PolarHBondContact O-OG 3.42Å; T179-S181 PolarHBondContact O-N 2.82Å; S181-L184 PolarHBondContact O-N 3.14Å; S181-N185 WeakPolarHBondContact O-CB 3.41Å; S181-N185 VanDerWaalsContact O-CG 3.29Å; S181-N185 PolarHBondContact O-N 3.2Å
182	L	66.5	Low	61.8	Low	98 Å²	98	101.2 Å²	101.2	51%	0.513	57%	0.567	S	S	.	*	H	α-helix	trans	-64.2	-45.1	172.6	-71.1	169.2	0	0	0	111.9	T178 T179 N185 N186	T178-L182 HydrophobicContact CG2-CD1 4.18Å; T178-L182 VanDerWaalsContact O-CG 3.31Å; T178-L182 WeakPolarHBondContact O-CG 3.49Å; T178-L182 PolarHBondContact O-N 3.39Å; T178-L182 VanDerWaalsContact O-N 3.07Å; T179-L182 PolarHBondContact O-N 2.82Å; L182-N185 PolarHBondContact O-N 2.04Å; L182-N186 WeakPolarHBondContact O-CB 3.39Å; L182-N186 PolarHBondContact O-N 3.2Å; L182-N186 PolarHBondContact O-ND2 2.9Å
183	T	61.6	Low	59.5	Low	78 Å²	78	105.4 Å²	105.4	48%	0.479	58%	0.584	S	S	.	*	H	α-helix	trans	-61.7	-44.7	175.8	-59.8	0	0	0	0	111.4	T179 N185 N186 T187	T179-T183 PolarHBondContact O-N 3.1Å; T179-T183 PolarHBondContact O-OG1 2.95Å; T183-N185 PolarHBondContact O-N 2.88Å; T183-N186 PolarHBondContact O-N 3.3Å; T183-T187 PolarHBondContact O-N 3.02Å; T183-T187 PolarHBondContact O-OG1 2.92Å
184	L	56.9	Low	57.5	Low	130 Å²	130	108.6 Å²	108.6	68%	0.681	60%	0.603	S	S	*	*	H	α-helix	trans	-61.4	-46.2	179.2	-163.1	76.2	0	0	0	111.8	N180 S181 T187	N180-L184 WeakPolarHBondContact O-CB 3.27Å; N180-L184 PolarHBondContact O-N 3.41Å; S181-L184 PolarHBondContact O-N 3.14Å; L184-T187 PolarHBondContact O-N 3.25Å
185	N	55	Low	55.5	Low	111 Å²	111	109 Å²	109	59%	0.594	62%	0.624	S	S	*	*	H	α-helix	trans	-63.1	-43.1	177.4	-72	-11	0	0	0	111.9	S181 L182 T183 T187 H188	S181-N185 WeakPolarHBondContact O-CB 3.41Å; S181-N185 VanDerWaalsContact O-CG 3.29Å; S181-N185 PolarHBondContact O-N 3.2Å; L182-N185 PolarHBondContact O-N 2.04Å; T183-N185 PolarHBondContact O-N 2.88Å; N185-T187 PolarHBondContact O-N 3.44Å; N185-H188 PolarHBondContact O-N 3.21Å
186	N	54	Low	53.5	Low	117 Å²	117	115.4 Å²	115.4	63%	0.626	65%	0.646	S	S	*	*	H	α-helix	trans	-67.6	-24.1	178.8	-70.3	-13.2	0	0	0	113	L182 T183 H188 M189	L182-N186 WeakPolarHBondContact O-CB 3.39Å; L182-N186 PolarHBondContact O-N 3.2Å; L182-N186 PolarHBondContact O-ND2 2.9Å; T183-N186 PolarHBondContact O-N 3.3Å; N186-H188 PolarHBondContact O-N 3.1Å; N186-M189 PolarHBondContact O-N 3.02Å
187	T	51.7	Low	51.6	Low	95 Å²	95	116.9 Å²	116.9	58%	0.583	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-10.1	178.3	-52	0	0	0	0	112.6	T183 L184 N185 S190	T183-T187 PolarHBondContact O-N 3.02Å; T183-T187 PolarHBondContact O-OG1 2.92Å; L184-T187 PolarHBondContact O-N 3.25Å; N185-T187 PolarHBondContact O-N 3.44Å; T187-S190 PolarHBondContact O-OG 3.1Å
188	H	46.5	Very low	49.9	Very low	170 Å²	170	120.8 Å²	120.8	79%	0.787	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.6	12.8	175.2	-155.2	-71.2	0	0	0	114	N185 N186	N185-H188 PolarHBondContact O-N 3.21Å; N186-H188 PolarHBondContact O-N 3.1Å
189	M	41.1	Very low	48	Very low	170 Å²	170	123.1 Å²	123.1	84%	0.837	68%	0.679	S	S	*	*			trans	-120.2	38.4	175	-75.8	-126.1	67.2	0	0	113.1	N186	N186-M189 PolarHBondContact O-N 3.02Å
190	S	35.2	Very low	46.4	Very low	98 Å²	98	125.3 Å²	125.3	69%	0.685	69%	0.692	S	S	*	*			trans	-102.2	62.9	-175.9	43.9	0	0	0	0	113.4	T187	T187-S190 PolarHBondContact O-OG 3.1Å
191	N	33.2	Very low	45.1	Very low	139 Å²	139	127.1 Å²	127.1	74%	0.743	70%	0.702	S	S	*	*			trans	-144.6	85.7	165.5	-172.5	6.7	0	0	0	113.5
192	P	40.5	Very low	44.1	Very low	112 Å²	112	130.7 Å²	130.7	73%	0.727	72%	0.721	S	S	*	*			trans	-91.9	112.1	163.8	33.1	-26.4	0	0	0	110.6	P194	P192-P194 WeakPolarHBondContact O-CD 3.04Å
193	Q	37	Very low	42.8	Very low	183 Å²	183	131.2 Å²	131.2	86%	0.855	73%	0.73	S	S	*	*			trans	-79.2	127.5	159.2	-87.7	-163.5	-23.2	0	0	110.1
194	P	40.3	Very low	41.7	Very low	126 Å²	126	137 Å²	137	82%	0.818	74%	0.744	S	S	*	*			trans	-109.1	107.2	163.4	17.9	3.2	0	0	0	109.7	P192	P192-P194 WeakPolarHBondContact O-CD 3.04Å
195	G	37.3	Very low	40.9	Very low	74 Å²	74	135.2 Å²	135.2	76%	0.763	74%	0.739	S	S	*	*			trans	-88.6	149.3	175.9	0	0	0	0	0	113.6
196	F	35.4	Very low	40	Very low	189 Å²	189	137 Å²	137	83%	0.829	75%	0.749	S	S	*	*			trans	77.5	89	156.9	-106.5	-100.2	0	0	0	121.5
197	I	35.4	Very low	39.3	Very low	125 Å²	125	140.3 Å²	140.3	64%	0.641	76%	0.76	S	S	*	*				37.1	110.8	124.6	-45.9	172.1	0	0	0	118.1
198	K	39.9	Very low	38.7	Very low	205 Å²	205	141.3 Å²	141.3	89%	0.891	77%	0.769	S	S	*	*				-162.9	142.8	109	-105.3	175.8	-173.5	177.3	0	113.5
199	T	34.3	Very low	38.2	Very low	126 Å²	126	136.8 Å²	136.8	77%	0.773	77%	0.768	S	S	*	*			trans	-82.8	150	-177.7	-40.7	0	0	0	0	112
200	V	41.2	Very low	37.8	Very low	123 Å²	123	138.6 Å²	138.6	75%	0.745	78%	0.775	S	S	*	*				-177.6	119.9	128.9	144.6	0	0	0	0	111.1
201	D	39.7	Very low	37.9	Very low	142 Å²	142	138.9 Å²	138.9	76%	0.759	78%	0.783	S	S	*	*			trans	61.3	153.7	151.6	-53	-11.9	0	0	0	124.3
202	V	42.8	Very low	37.8	Very low	133 Å²	133	142.8 Å²	142.8	81%	0.806	79%	0.789	S	S	*	*			trans	-160.4	159.7	-159	169.2	0	0	0	0	104.5
203	P	40.1	Very low	37.7	Very low	109 Å²	109	145.6 Å²	145.6	71%	0.708	80%	0.796	S	S	*	*			cis	-115	-145.1	13.9	7	22.9	0	0	0	112.6
204	Y	39.3	Very low	37.7	Very low	199 Å²	199	140.3 Å²	140.3	78%	0.78	79%	0.791	S	S	*	*			cis	-153.2	135.1	14.8	-158.9	-85.2	0	0	0	115.9
205	T	38.9	Very low	37.6	Very low	93 Å²	93	142.4 Å²	142.4	57%	0.571	79%	0.793	S	S	*	*			trans	-5.9	129.4	155.6	-32.1	0	0	0	0	120.6
206	N	37.1	Very low	37.7	Very low	148 Å²	148	147.6 Å²	147.6	79%	0.791	80%	0.798	S	S	*	*				-173.4	173.1	108.8	-99.4	-63.1	0	0	0	114.3
207	Q	39.3	Very low	37.7	Very low	187 Å²	187	144 Å²	144	87%	0.874	80%	0.796	S	S	*	*			trans	-99.7	176	-159.9	-108.2	-143.2	-6.3	0	0	115.7
208	P	37.5	Very low	38.1	Very low	116 Å²	116	144.7 Å²	144.7	75%	0.753	81%	0.806	S	S	*	*			trans	-96.4	167.6	-148	38.9	-39.6	0	0	0	116.5
209	G	36.9	Very low	38.1	Very low	76 Å²	76	141.7 Å²	141.7	78%	0.784	80%	0.795	S	S	*	*			trans	-128.8	139.7	162.1	0	0	0	0	0	111.5
210	Q	32.7	Very low	38.4	Very low	207 Å²	207	144.2 Å²	144.2	97%	0.967	80%	0.803	S	S	*	*			trans	-82.3	140	174.2	-66.5	172.9	-91.4	0	0	110.9
211	A	37.7	Very low	38.2	Very low	105 Å²	105	143.8 Å²	143.8	87%	0.868	79%	0.793	S	S	*	*			trans	-135.2	147.9	162.6	0	0	0	0	0	109.6
212	Y	30.6	Very low	38.4	Very low	221 Å²	221	142.9 Å²	142.9	87%	0.867	80%	0.797	S	S	*	*			trans	-113.9	-179.1	-173.1	-153	-100.4	0	0	0	109.9
213	I	38.3	Very low	38.2	Very low	170 Å²	170	145 Å²	145	87%	0.872	80%	0.798	S	S	*	*			trans	80.7	135.5	171.9	-47.6	159.9	0	0	0	114.7
214	G	37.7	Very low	38.2	Very low	72 Å²	72	145.7 Å²	145.7	74%	0.742	81%	0.805	S	S	*	*			trans	153.3	64	168.6	0	0	0	0	0	115.7
215	I	37.8	Very low	38	Very low	171 Å²	171	142.5 Å²	142.5	88%	0.877	81%	0.807	S	S	*	*			trans	-81	127	167.6	-59.9	173.7	0	0	0	108.5
216	Q	39	Very low	37.6	Very low	183 Å²	183	145.7 Å²	145.7	86%	0.855	82%	0.82	S	S	*	*			trans	-143.7	120	164.9	-158.6	170.8	57.1	0	0	111.2
217	S	36.6	Very low	37.6	Very low	114 Å²	114	148 Å²	148	80%	0.797	83%	0.826	S	S	*	*			trans	-80	139.8	172.2	-54.1	0	0	0	0	110.2
218	T	42.3	Very low	37.3	Very low	138 Å²	138	143.1 Å²	143.1	85%	0.847	82%	0.818	S	S	*	*			trans	-114	146	162.8	45.2	0	0	0	0	110.7
219	H	41.3	Very low	37.4	Very low	142 Å²	142	142.8 Å²	142.8	66%	0.657	82%	0.816	S	S	*	*			trans	-106.1	137.2	-169.1	165	-85.7	0	0	0	109.8	Q221	H219-Q221 VanDerWaalsContact CE1-CB 3.43Å; H219-Q221 WeakPolarHBondContact CE1-CB 3.35Å; H219-Q221 WeakPolarHBondContact NE2-CB 3.45Å; H219-Q221 PolarHBondContact NE2-OE1 2.88Å
220	L	40.9	Very low	37.5	Very low	180 Å²	180	147.8 Å²	147.8	94%	0.942	82%	0.818	S	S	*	*			trans	-142.7	110.2	167.5	-102.8	171.2	0	0	0	108.7
221	Q	36.3	Very low	37.5	Very low	114 Å²	114	142.9 Å²	142.9	53%	0.533	81%	0.807	S	S	.	*			trans	-130.1	106.3	-175.1	-178.8	177.6	-1	0	0	109.6	H219 H223	H219-Q221 VanDerWaalsContact CE1-CB 3.43Å; H219-Q221 WeakPolarHBondContact CE1-CB 3.35Å; H219-Q221 WeakPolarHBondContact NE2-CB 3.45Å; H219-Q221 PolarHBondContact NE2-OE1 2.88Å; Q221-H223 PolarHBondContact NE2-NE2 3.35Å
222	S	44.1	Very low	37.5	Very low	122 Å²	122	146.4 Å²	146.4	85%	0.853	81%	0.805	S	S	*	*			trans	-106.1	107	174.6	46	0	0	0	0	110.3
223	H	37.8	Very low	37.9	Very low	178 Å²	178	143.1 Å²	143.1	82%	0.824	80%	0.802	S	S	*	*			trans	-79.5	144.7	170.9	-87.5	-96.5	0	0	0	111.3	Q221	Q221-H223 PolarHBondContact NE2-NE2 3.35Å
224	S	39.3	Very low	37.8	Very low	123 Å²	123	143 Å²	143	86%	0.86	80%	0.8	S	S	*	*			trans	-154	89.7	154.2	-81.5	0	0	0	0	110.6
225	T	36.1	Very low	38.1	Very low	132 Å²	132	145.3 Å²	145.3	81%	0.81	80%	0.801	S	S	*	*			trans	9.9	136.7	152.9	-36.7	0	0	0	0	120.3
226	L	31.2	Very low	38.1	Very low	160 Å²	160	146.3 Å²	146.3	84%	0.838	80%	0.802	S	S	*	*			trans	-62.4	146.2	165.6	-74	65.6	0	0	0	112.1
227	Q	36.2	Very low	38.1	Very low	196 Å²	196	142 Å²	142	92%	0.916	80%	0.798	S	S	*	*			trans	-153.5	142.5	133.2	-147.2	157.4	-54.7	0	0	114.3
228	A	33	Very low	38.3	Very low	86 Å²	86	142.8 Å²	142.8	71%	0.711	80%	0.797	S	S	*	*			trans	-150.9	175.8	165.1	0	0	0	0	0	105.9
229	P	39.4	Very low	38	Very low	109 Å²	109	144.1 Å²	144.1	71%	0.708	80%	0.798	S	S	*	*			cis	-127.5	-177	-3.4	41.7	-26.6	0	0	0	113
230	H	39	Very low	37.9	Very low	180 Å²	180	141.9 Å²	141.9	83%	0.833	80%	0.796	S	S	*	*				-175.4	159.5	120.7	-115.3	-92.5	0	0	0	113
231	S	32.9	Very low	37.8	Very low	104 Å²	104	139.2 Å²	139.2	73%	0.727	79%	0.787	S	S	*	*			trans	-92.9	153.1	179.6	-30	0	0	0	0	112.5
232	Q	38	Very low	37.6	Very low	180 Å²	180	140.4 Å²	140.4	84%	0.841	80%	0.803	S	S	*	*			trans	-167.7	149.8	135.6	-109.3	-178.7	3.7	0	0	115.1
233	L	38.2	Very low	37.3	Very low	151 Å²	151	144 Å²	144	79%	0.791	81%	0.806	S	S	*	*			trans	45.2	132.9	157.9	-91	66.2	0	0	0	123.4
234	M	37	Very low	36.9	Very low	169 Å²	169	140.7 Å²	140.7	83%	0.833	80%	0.803	S	S	*	*			trans	-95	167.6	148.8	-74.6	-78.9	168.4	0	0	109.4
235	P	44.7	Very low	37	Very low	119 Å²	119	139.7 Å²	139.7	77%	0.773	80%	0.796	S	S	*	*				-144.3	139.6	112.8	36.4	-22	0	0	0	116.6
236	E	36.9	Very low	37	Very low	192 Å²	192	140.4 Å²	140.4	90%	0.897	80%	0.795	S	S	*	*				44.5	120.6	125.3	-157.1	159.9	116.3	0	0	122.7
237	A	38.2	Very low	37.3	Very low	92 Å²	92	139 Å²	139	76%	0.76	79%	0.792	S	S	*	*			trans	-164.7	115.5	142.9	0	0	0	0	0	114.4
238	V	42.4	Very low	37.2	Very low	131 Å²	131	137.3 Å²	137.3	79%	0.794	79%	0.789	S	S	*	*			trans	55.4	121.2	142.5	-172.4	0	0	0	0	121.6
239	I	36.3	Very low	37.4	Very low	166 Å²	166	138.8 Å²	138.8	85%	0.851	79%	0.789	S	S	*	*			trans	-113.2	147.6	148.6	-41.9	167.1	0	0	0	106.3
240	P	37.8	Very low	37.4	Very low	95 Å²	95	141.1 Å²	141.1	62%	0.617	79%	0.79	S	S	*	*				-155.6	167.9	112	39.1	-20.8	0	0	0	117.7
241	T	39.4	Very low	37.2	Very low	125 Å²	125	142 Å²	142	77%	0.767	79%	0.791	S	S	*	*			trans	58.7	111.6	148.1	46	0	0	0	0	122.3
242	T	32.4	Very low	37.4	Very low	139 Å²	139	143.4 Å²	143.4	85%	0.853	79%	0.789	S	S	*	*			trans	-28.4	143.3	141.2	49.6	0	0	0	0	117.2
243	Q	36.5	Very low	37.4	Very low	196 Å²	196	143.1 Å²	143.1	92%	0.916	79%	0.788	S	S	*	*			trans	-141.3	146.7	145.2	-151.8	171.9	35.9	0	0	110.5
244	S	31.1	Very low	37.1	Very low	110 Å²	110	141.2 Å²	141.2	77%	0.769	79%	0.787	S	S	*	*			trans	-104.1	144.5	179.7	-179.3	0	0	0	0	110.5
245	S	40.3	Very low	37.3	Very low	101 Å²	101	138.8 Å²	138.8	71%	0.706	79%	0.787	S	S	*	*			trans	-157.7	110.6	164.7	-83.5	0	0	0	0	113.2
246	N	36.5	Very low	36.8	Very low	147 Å²	147	138.2 Å²	138.2	79%	0.786	79%	0.786	S	S	*	*			trans	52.6	96.6	134	-56.1	-20.9	0	0	0	119.6
247	V	36.6	Very low	36.8	Very low	130 Å²	130	137.3 Å²	137.3	79%	0.788	78%	0.781	S	S	*	*				0.5	125.4	128.9	-177	0	0	0	0	116	V249	V247-V249 HydrophobicContact CG1-CG2 3.97Å
248	L	35.5	Very low	36.7	Very low	162 Å²	162	140.6 Å²	140.6	85%	0.848	79%	0.785	S	S	*	*			trans	-132	121	147.4	-168.1	72.1	0	0	0	109.2
249	V	36.8	Very low	36.4	Very low	117 Å²	117	142.9 Å²	142.9	71%	0.709	79%	0.787	S	S	*	*			trans	-95.1	130.5	175.5	174.2	0	0	0	0	108.8	V247	V247-V249 HydrophobicContact CG1-CG2 3.97Å
250	H	39.4	Very low	36.8	Very low	157 Å²	157	144 Å²	144	73%	0.727	79%	0.789	S	S	*	*			trans	-123.3	130.6	167.7	-122.9	-96.4	0	0	0	110.5
251	K	33.9	Very low	36.6	Very low	199 Å²	199	145.1 Å²	145.1	87%	0.865	79%	0.794	S	S	*	*			trans	-129.1	89.8	-171.7	179.5	-168.5	172.9	-175.9	0	110
252	I	38.1	Very low	37	Very low	133 Å²	133	148 Å²	148	68%	0.682	80%	0.799	S	S	*	*			trans	-149.8	135.8	180	-58.2	-179.1	0	0	0	106.2
253	Q	36.9	Very low	37.3	Very low	175 Å²	175	147.4 Å²	147.4	82%	0.818	79%	0.791	S	S	*	*			cis	-159.3	159.3	-19.7	178.7	158.7	-63.2	0	0	107.4
254	S	32.4	Very low	37.6	Very low	111 Å²	111	144.6 Å²	144.6	78%	0.776	78%	0.781	S	S	*	*			trans	-79.6	140.4	175.4	-171.2	0	0	0	0	111.8
255	S	41.6	Very low	38.3	Very low	117 Å²	117	146.8 Å²	146.8	82%	0.818	78%	0.778	S	S	*	*			trans	-130.9	114.8	166.2	-71.4	0	0	0	0	109.7
256	S	34.6	Very low	38.4	Very low	107 Å²	107	148.8 Å²	148.8	75%	0.748	78%	0.776	S	S	*	*			trans	-80.8	156.6	162.7	48.7	0	0	0	0	110.5
257	Q	35.9	Very low	38.5	Very low	173 Å²	173	148.6 Å²	148.6	81%	0.808	78%	0.776	S	S	*	*			trans	-178.4	160.1	142.9	-103.1	-58.2	-6.5	0	0	112.3
258	L	37.4	Very low	38.9	Very low	161 Å²	161	147.6 Å²	147.6	84%	0.843	77%	0.772	S	S	*	*			trans	83.4	134.7	166.8	-67.5	162.2	0	0	0	119.8
259	Q	35.2	Very low	39.4	Very low	179 Å²	179	146 Å²	146	84%	0.836	77%	0.768	S	S	*	*			trans	-161.7	122.4	-165.5	-179.2	-178.8	23.5	0	0	109.1
260	Q	43.7	Very low	39.6	Very low	189 Å²	189	145.3 Å²	145.3	88%	0.883	77%	0.765	S	S	*	*			trans	-155.7	126.4	173.2	-92.9	168.3	-15.4	0	0	106.4
261	T	35.4	Very low	39.9	Very low	120 Å²	120	146.6 Å²	146.6	74%	0.736	77%	0.771	S	S	*	*			cis	107.7	96.9	22.1	-63.2	0	0	0	0	112.2
262	Q	46.7	Very low	40.5	Very low	184 Å²	184	142.3 Å²	142.3	86%	0.86	77%	0.766	S	S	*	*			trans	165.2	148.1	161.1	-97.2	167.1	10.3	0	0	109.6
263	N	38.6	Very low	40.8	Very low	128 Å²	128	139.6 Å²	139.6	68%	0.684	77%	0.771	S	S	*	*			cis	-168	142.6	-22.1	-133.8	8.8	0	0	0	113.4
264	I	43	Very low	41.5	Very low	137 Å²	137	136.8 Å²	136.8	70%	0.703	77%	0.768	S	S	*	*			trans	73.5	152.1	146.2	-68.5	167.3	0	0	0	123.2
265	H	46.1	Very low	42.2	Very low	155 Å²	155	138.9 Å²	138.9	72%	0.718	77%	0.771	S	S	*	*			trans	74.9	118.8	174.5	-98.8	14.6	0	0	0	117.7
266	E	42.2	Very low	42.5	Very low	143 Å²	143	142.1 Å²	142.1	67%	0.668	77%	0.772	S	S	*	*				80.2	128.9	54.6	-69.9	156.7	93.4	0	0	112
267	D	39.5	Very low	43.2	Very low	144 Å²	144	142.7 Å²	142.7	77%	0.77	77%	0.774	S	S	*	*			cis	-148.1	171	12.4	-87.9	-42.8	0	0	0	114.3
268	P	45	Very low	44.2	Very low	109 Å²	109	143.9 Å²	143.9	71%	0.708	78%	0.78	S	S	*	*			trans	-125	-165.5	177.1	40.8	-25.1	0	0	0	116.6
269	V	44.1	Very low	44.6	Very low	128 Å²	128	140.9 Å²	140.9	78%	0.776	77%	0.772	S	S	*	*			trans	76.2	134.8	175.2	-141.7	0	0	0	0	113.3
270	T	42.8	Very low	45.5	Very low	103 Å²	103	140 Å²	140	63%	0.632	77%	0.771	S	S	*	*			cis	-168.7	135.8	46.1	-43.4	0	0	0	0	113.9
271	Q	44.3	Very low	45.9	Very low	183 Å²	183	138 Å²	138	86%	0.855	76%	0.764	S	S	*	*			trans	57.9	162.4	152.2	-73.8	167.3	-1.4	0	0	120.3
272	S	47	Very low	46.5	Very low	110 Å²	110	139.9 Å²	139.9	77%	0.769	76%	0.764	S	S	*	*			cis	-168.8	154.6	-12.4	45.7	0	0	0	0	112.3
273	G	44.5	Very low	47.4	Very low	76 Å²	76	142.5 Å²	142.5	78%	0.784	78%	0.781	S	S	*	*			trans	95.5	132	145.2	0	0	0	0	0	119.7
274	P	50.7	Low	47.8	Very low	115 Å²	115	143.3 Å²	143.3	75%	0.747	79%	0.786	S	S	*	*			trans	-111.3	-158.8	172.6	43.2	-33.8	0	0	0	113.9
275	D	48.1	Very low	48.1	Very low	156 Å²	156	143.6 Å²	143.6	83%	0.834	79%	0.791	S	S	*	*			trans	76.3	143.6	-178.2	-47.1	-32.6	0	0	0	114.1
276	E	47.8	Very low	48.2	Very low	184 Å²	184	142.9 Å²	142.9	86%	0.86	80%	0.795	S	S	*	*			cis	-147.2	161.9	3.7	-144.4	-165.3	143.4	0	0	108.8
277	P	48.8	Very low	48.5	Very low	120 Å²	120	142.9 Å²	142.9	78%	0.779	80%	0.802	S	S	*	*			trans	-110.4	137.1	179.5	35.8	-24.2	0	0	0	114.8
278	E	56.3	Low	49.1	Very low	198 Å²	198	142.9 Å²	142.9	93%	0.925	80%	0.804	S	S	*	*			trans	-124.1	160.7	172.5	-143.9	-173.7	160.6	0	0	113.8
279	S	47.1	Very low	49.4	Very low	97 Å²	97	145.1 Å²	145.1	68%	0.678	81%	0.81	S	S	*	*			trans	-81.3	161.7	-174.3	-174.8	0	0	0	0	113.5
280	I	54.8	Low	49.8	Very low	162 Å²	162	146.4 Å²	146.4	83%	0.831	81%	0.813	S	S	*	*				-172.5	153.8	121	-95.8	155.9	0	0	0	111.2
281	M	52	Low	50.3	Low	146 Å²	146	149.7 Å²	149.7	72%	0.719	83%	0.827	S	S	*	*			trans	-112.9	174.1	-172.2	-179.9	172.6	172.8	0	0	111.6
282	H	47	Very low	50.8	Low	159 Å²	159	146.9 Å²	146.9	74%	0.736	82%	0.824	S	S	*	*			trans	80.9	141.6	-179.1	-49.9	-80.9	0	0	0	113.7
283	I	65.4	Low	51.1	Low	240 Å²	240	150.3 Å²	150.3	100%	1.231	83%	0.829	S	S	*	*			cis	-107.8	0	10.9	-67.3	164.1	0	0	0	111.5

Retrieved 283 of 283 residues in 117.2 ms (Link to these results)

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