A0A077Z3A3_TRITR Loading...

Protein GLB 18, a

AlphaFold DB , UniProt , Accession A0A077Z3A3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 196 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	45	Very low	43.8	Very low	246 Å²	246	133.2 Å²	133.2	100%	1.212	83%	0.828	S	S	*	*				0	110.2	0	-72.2	172.8	166.7	0	0	107.2
2	A	47	Very low	43.5	Very low	107 Å²	107	133.7 Å²	133.7	88%	0.884	83%	0.829	S	S	*	*			trans	-79.6	116.7	-175.4	0	0	0	0	0	109.9
3	N	46	Very low	43	Very low	159 Å²	159	141.5 Å²	141.5	85%	0.85	83%	0.834	S	S	*	*			trans	-144.4	64	167.8	-157.1	12.4	0	0	0	109.3	G5	N3-G5 PolarHBondContact O-N 3.11Å
4	S	48.8	Very low	42.6	Very low	108 Å²	108	144.7 Å²	144.7	76%	0.755	84%	0.836	S	S	*	*			trans	-88.8	87.1	169.8	54.4	0	0	0	0	108.2	S6	S4-S6 PolarHBondContact O-N 3.31Å
5	G	40.6	Very low	42.1	Very low	70 Å²	70	143.7 Å²	143.7	72%	0.722	83%	0.833	S	S	*	*			trans	-70.6	103.6	170.9	0	0	0	0	0	110.1	N3	N3-G5 PolarHBondContact O-N 3.11Å
6	S	44.9	Very low	41.4	Very low	109 Å²	109	149.2 Å²	149.2	76%	0.762	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-77.2	131	167.8	-64.4	0	0	0	0	109.5	S4	S4-S6 PolarHBondContact O-N 3.31Å
7	P	45.7	Very low	40.8	Very low	109 Å²	109	152.3 Å²	152.3	71%	0.708	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-70.2	149.8	-177.5	26.1	-31.9	0	0	0	112.2	Y9	P7-Y9 PolarHBondContact O-N 3.06Å
8	P	49.1	Very low	40.3	Very low	127 Å²	127	151.2 Å²	151.2	83%	0.825	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-75.5	120.2	-178.3	25.3	-22.1	0	0	0	110.3
9	Y	32.7	Very low	40.1	Very low	225 Å²	225	150.3 Å²	150.3	88%	0.882	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-66.4	132.4	170.5	-108	-95	0	0	0	110	P7 A11	P7-Y9 PolarHBondContact O-N 3.06Å; Y9-A11 PolarHBondContact O-N 3.32Å
10	P	40.5	Very low	39.9	Very low	108 Å²	108	149.3 Å²	149.3	70%	0.701	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-68	130.8	177.6	25.2	-30.8	0	0	0	110.7	V12	P10-V12 PolarHBondContact O-N 3.34Å; P10-V12 VanDerWaalsContact O-N 3.16Å
11	A	41.9	Very low	39.7	Very low	97 Å²	97	149.3 Å²	149.3	80%	0.802	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-57.9	116.8	175.2	0	0	0	0	0	110.3	Y9 R13	Y9-A11 PolarHBondContact O-N 3.32Å; A11-R13 PolarHBondContact O-N 2.8Å; A11-R13 VanDerWaalsContact O-N 3.11Å
12	V	39.3	Very low	39.6	Very low	139 Å²	139	141.6 Å²	141.6	84%	0.842	79%	0.794	S	S	*	*			trans	-61	113.3	173.8	176.5	0	0	0	0	108	P10 Q14	P10-V12 PolarHBondContact O-N 3.34Å; P10-V12 VanDerWaalsContact O-N 3.16Å; V12-Q14 PolarHBondContact O-N 3.12Å
13	R	36.9	Very low	39.6	Very low	236 Å²	236	141.2 Å²	141.2	89%	0.891	78%	0.777	S	S	*	*			trans	-57.7	102.9	173.5	-88.1	-179.1	169.6	-171.5	-2.4	108.9	A11 V15	A11-R13 PolarHBondContact O-N 2.8Å; A11-R13 VanDerWaalsContact O-N 3.11Å; R13-V15 PolarHBondContact O-N 3.38Å
14	Q	38.1	Very low	39.7	Very low	186 Å²	186	136.8 Å²	136.8	87%	0.869	76%	0.759	S	S	*	*			trans	-63.4	107	174	-166.3	167.5	8.2	0	0	108.7	V12 R16	V12-Q14 PolarHBondContact O-N 3.12Å; Q14-R16 PolarHBondContact O-N 3.39Å
15	V	34.6	Very low	40	Very low	130 Å²	130	138.9 Å²	138.9	79%	0.788	76%	0.756	S	S	*	*			trans	-61.8	109.5	176	179.2	0	0	0	0	107.7	R13 K17	R13-V15 PolarHBondContact O-N 3.38Å; V15-K17 PolarHBondContact O-N 2.94Å
16	R	30.9	Very low	41.3	Very low	231 Å²	231	137.2 Å²	137.2	87%	0.872	73%	0.731	S	S	*	*			trans	-62.9	99.7	171.5	-75	-176	174.9	-173.9	-1.6	107.9	Q14 I18	Q14-R16 PolarHBondContact O-N 3.39Å; R16-I18 PolarHBondContact O-N 3.42Å
17	K	32	Very low	42.8	Very low	202 Å²	202	136.8 Å²	136.8	88%	0.878	72%	0.718	S	S	*	*			trans	-68.9	98.6	170.8	-137.5	176.7	-172.7	178.4	0	106.7	V15 C19	V15-K17 PolarHBondContact O-N 2.94Å; K17-C19 PolarHBondContact O-N 3.38Å
18	I	32.2	Very low	44.4	Very low	132 Å²	132	132.1 Å²	132.1	68%	0.677	69%	0.688	S	S	*	*			trans	-66.5	104.7	175	-54.5	174.4	0	0	0	106.1	R16 L20	R16-I18 PolarHBondContact O-N 3.42Å; I18-L20 VanDerWaalsContact C-N 3.27Å; I18-L20 HydrophobicContact CB-CG 4.41Å; I18-L20 HydrophobicContact CG2-CD1 4.33Å; I18-L20 HydrophobicContact CG2-CD2 3.54Å; I18-L20 HydrophobicContact CG2-CG 3.58Å; I18-L20 PolarHBondContact O-N 3.45Å
19	C	36	Very low	46.2	Very low	134 Å²	134	132.6 Å²	132.6	91%	0.905	68%	0.682	S	S	*	*			trans	-73.5	87	171.2	-122.9	0	0	0	0	107.4	K17 H21	K17-C19 PolarHBondContact O-N 3.38Å; C19-H21 PolarHBondContact O-N 3.3Å
20	L	35.4	Very low	49	Very low	131 Å²	131	122.4 Å²	122.4	69%	0.686	64%	0.643	S	S	*	*			trans	-79.6	110.4	174.6	-68.7	173.1	0	0	0	109.5	I18 A22	I18-L20 VanDerWaalsContact C-N 3.27Å; I18-L20 HydrophobicContact CB-CG 4.41Å; I18-L20 HydrophobicContact CG2-CD1 4.33Å; I18-L20 HydrophobicContact CG2-CD2 3.54Å; I18-L20 HydrophobicContact CG2-CG 3.58Å; I18-L20 PolarHBondContact O-N 3.45Å; L20-A22 PolarHBondContact O-N 2.86Å
21	H	36.7	Very low	51.6	Low	150 Å²	150	121.1 Å²	121.1	69%	0.694	63%	0.63	S	S	*	*			trans	51.9	51.8	144.3	-66.6	-77.8	0	0	0	119.7	C19 D23	C19-H21 PolarHBondContact O-N 3.3Å; H21-D23 PolarHBondContact O-N 3.34Å
22	A	41.3	Very low	54.1	Low	83 Å²	83	124.5 Å²	124.5	69%	0.686	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-67.7	-14	156.6	0	0	0	0	0	112.7	L20	L20-A22 PolarHBondContact O-N 2.86Å
23	D	47	Very low	56.8	Low	99 Å²	99	122.1 Å²	122.1	53%	0.529	61%	0.609	S	S	.	*	G	3₁₀ helix	trans	-83.1	-11.4	-167.6	-70.3	-32.5	0	0	0	116.1	H21 H25 N26	H21-D23 PolarHBondContact O-N 3.34Å; D23-H25 VanDerWaalsContact C-N 3.25Å; D23-H25 PolarHBondContact O-N 3.38Å; D23-N26 PolarHBondContact O-N 3.12Å
24	S	50	Low	59.7	Low	66 Å²	66	113.3 Å²	113.3	46%	0.462	58%	0.578	S	S	.	*	G	3₁₀ helix	trans	-64.2	-31.6	-177.3	60.4	0	0	0	0	112.8	N26	S24-N26 PolarHBondContact O-N 3.19Å
25	H	55.2	Low	62.5	Low	152 Å²	152	108 Å²	108	70%	0.704	55%	0.55	S	S	*	.	G	3₁₀ helix	trans	-72.4	-6.7	178.2	-74	70.8	0	0	0	113.6	D23 Q178	D23-H25 VanDerWaalsContact C-N 3.25Å; D23-H25 PolarHBondContact O-N 3.38Å; H25-Q178 PolarHBondContact O-NE2 3.49Å
26	N	67.4	Low	65.5	Low	36 Å²	36	103.7 Å²	103.7	19%	0.193	53%	0.525	C	S	.	.	G	3₁₀ helix	trans	-107.1	-12.1	-174.8	-75.2	-22.3	0	0	0	113.4	D23 S24 N112 R116	D23-N26 PolarHBondContact O-N 3.12Å; S24-N26 PolarHBondContact O-N 3.19Å; N26-N112 WeakPolarHBondContact CA-ND2 3.32Å; N26-N112 WeakPolarHBondContact CB-ND2 3.46Å; N26-N112 PolarHBondContact O-ND2 2.71Å; N26-N112 PolarHBondContact O-OD1 3.47Å; N26-R116 PolarHBondContact OD1-NH2 3.22Å
27	M	75.3	Confident	68.7	Low	99 Å²	99	92.9 Å²	92.9	49%	0.488	48%	0.484	S	S	.	.	S	Bend	trans	-105.7	138.2	-174.8	-63.2	-172.4	74.5	0	0	112.2	I29 P108	M27-I29 PolarHBondContact O-N 3.35Å; M27-P108 HydrophobicContact CE-CG 4.28Å; M27-P108 HydrophobicContact CG-CB 4.06Å; M27-P108 HydrophobicContact CG-CG 4.18Å
28	V	80.7	Confident	71.8	Confident	11 Å²	11	83.2 Å²	83.2	7%	0.067	44%	0.443	C	S	.	.			trans	-69.5	112.4	164.8	-169	0	0	0	0	107.3	L30 L105 L111 T170 L171 H174	V28-L30 HydrophobicContact CB-CD1 4.46Å; V28-L30 HydrophobicContact CG1-CD1 3.46Å; V28-L30 VanDerWaalsContact CG1-CD1 3.46Å; V28-L30 HydrophobicContact CG1-CG 3.82Å; V28-L30 PolarHBondContact O-N 3.14Å; V28-L30 VanDerWaalsContact O-N 3.1Å; V28-L105 HydrophobicContact CB-CD2 4.27Å; V28-L105 HydrophobicContact CG1-CD2 4.33Å; V28-L105 HydrophobicContact CG2-CD2 4.14Å; V28-L111 HydrophobicContact CG2-CD2 3.97Å; V28-T170 HydrophobicContact CG1-CG2 4.23Å; V28-L171 HydrophobicContact CG2-CD1 4.48Å; V28-H174 HydrophobicContact CG1-CB 4.43Å; V28-H174 HydrophobicContact CG2-CB 3.95Å; V28-H174 WeakPolarHBondContact CG2-CD2 3.5Å; V28-H174 VanDerWaalsContact CG2-CG 3.45Å
29	I	85.5	Confident	74.9	Confident	138 Å²	138	82.4 Å²	82.4	71%	0.708	43%	0.434	S	S	*	.			trans	-81.6	92.8	177.9	-53.7	178.4	0	0	0	107.9	M27	M27-I29 PolarHBondContact O-N 3.35Å
30	L	92.2	Very high	77.8	Confident	11 Å²	11	82.8 Å²	82.8	6%	0.058	42%	0.421	C	S	.	.			trans	-126.5	143.2	169.2	-69.5	157.8	0	0	0	107.9	V28 E34 R35 L38 L105 A167 T170	V28-L30 HydrophobicContact CB-CD1 4.46Å; V28-L30 HydrophobicContact CG1-CD1 3.46Å; V28-L30 VanDerWaalsContact CG1-CD1 3.46Å; V28-L30 HydrophobicContact CG1-CG 3.82Å; V28-L30 PolarHBondContact O-N 3.14Å; V28-L30 VanDerWaalsContact O-N 3.1Å; L30-E34 VanDerWaalsContact CA-OE2 3.25Å; L30-E34 WeakPolarHBondContact CA-OE2 3.41Å; L30-E34 HydrophobicContact CB-CB 4.22Å; L30-E34 HydrophobicContact CD2-CB 3.66Å; L30-E34 HydrophobicContact CD2-CG 4.41Å; L30-R35 HydrophobicContact CB-CG 3.88Å; L30-R35 HydrophobicContact CD1-CG 4.39Å; L30-R35 PolarHBondContact O-NH1 3.31Å; L30-R35 PolarHBondContact O-NH2 3.26Å; L30-R35 VanDerWaalsContact O-NH2 3.16Å; L30-L38 HydrophobicContact CD1-CD1 3.52Å; L30-L105 HydrophobicContact CD1-CD2 4.13Å; L30-A167 HydrophobicContact CD2-CB 4.1Å; L30-T170 HydrophobicContact CD2-CG2 3.92Å; L30-T170 HydrophobicContact CG-CG2 4.14Å
31	N	94.6	Very high	80.7	Confident	80 Å²	80	76.7 Å²	76.7	43%	0.428	39%	0.389	S	S	.	.			trans	-80.9	173.8	166.9	70.8	51.6	0	0	0	110.7	H33 E34 R35	N31-H33 VanDerWaalsContact C-N 3.32Å; N31-H33 PolarHBondContact O-N 3.08Å; N31-H33 WeakPolarHBondContact OD1-CA 3.47Å; N31-H33 VanDerWaalsContact OD1-CB 3.29Å; N31-H33 WeakPolarHBondContact OD1-CB 3.33Å; N31-H33 PolarHBondContact OD1-N 3.47Å; N31-E34 PolarHBondContact N-OE2 3.3Å; N31-E34 VanDerWaalsContact ND2-CD 3.3Å; N31-E34 PolarHBondContact ND2-OE2 3.49Å; N31-E34 PolarHBondContact O-N 2.79Å; N31-E34 PolarHBondContact OD1-N 3.49Å; N31-R35 WeakPolarHBondContact O-CG 3.39Å; N31-R35 PolarHBondContact O-N 3.38Å
32	E	94.6	Very high	83.6	Confident	168 Å²	168	71.3 Å²	71.3	79%	0.785	36%	0.363	S	S	*	.	H	α-helix	trans	-63.7	-36.8	-177.7	-173.3	174.5	-177.4	0	0	112.9	R35 S36	E32-R35 PolarHBondContact O-N 2.99Å; E32-S36 WeakPolarHBondContact O-CB 3.27Å; E32-S36 PolarHBondContact O-N 3.05Å
33	H	96.8	Very high	86.2	Confident	90 Å²	90	72.6 Å²	72.6	42%	0.417	35%	0.35	S	S	.	.	H	α-helix	trans	-65.6	-47.8	176.6	172.4	66.3	0	0	0	111.6	N31 R35 S36 L37 E163	N31-H33 VanDerWaalsContact C-N 3.32Å; N31-H33 PolarHBondContact O-N 3.08Å; N31-H33 WeakPolarHBondContact OD1-CA 3.47Å; N31-H33 VanDerWaalsContact OD1-CB 3.29Å; N31-H33 WeakPolarHBondContact OD1-CB 3.33Å; N31-H33 PolarHBondContact OD1-N 3.47Å; H33-R35 VanDerWaalsContact C-N 3.31Å; H33-R35 PolarHBondContact O-N 2.91Å; H33-S36 CarbonylContact O-C 3.56Å; H33-S36 WeakPolarHBondContact O-CA 3.44Å; H33-S36 VanDerWaalsContact O-CB 3.24Å; H33-S36 WeakPolarHBondContact O-CB 3.34Å; H33-S36 PolarHBondContact O-N 3.16Å; H33-L37 WeakPolarHBondContact O-CG 3.46Å; H33-L37 PolarHBondContact O-N 3.42Å; H33-E163 IonicContact CD2-OE2 3.2Å; H33-E163 PolarHBondContact CD2-OE2 3.37Å; H33-E163 IonicContact CE1-OE2 3.48Å; H33-E163 IonicContact NE2-OE2 3.85Å; H33-E163 PolarHBondContact NE2-OE2 3.04Å
34	E	97.6	Very high	88.4	Confident	51 Å²	51	73.9 Å²	73.9	24%	0.238	36%	0.357	C	S	.	.	H	α-helix	trans	-61	-40.4	176.3	-66.7	169.4	139.7	0	0	111.6	L30 N31 S36 L37 L38 A167	L30-E34 VanDerWaalsContact CA-OE2 3.25Å; L30-E34 WeakPolarHBondContact CA-OE2 3.41Å; L30-E34 HydrophobicContact CB-CB 4.22Å; L30-E34 HydrophobicContact CD2-CB 3.66Å; L30-E34 HydrophobicContact CD2-CG 4.41Å; N31-E34 PolarHBondContact N-OE2 3.3Å; N31-E34 VanDerWaalsContact ND2-CD 3.3Å; N31-E34 PolarHBondContact ND2-OE2 3.49Å; N31-E34 PolarHBondContact O-N 2.79Å; N31-E34 PolarHBondContact OD1-N 3.49Å; E34-S36 VanDerWaalsContact C-N 3.35Å; E34-L37 PolarHBondContact O-N 2.91Å; E34-L38 WeakPolarHBondContact O-CG 3.24Å; E34-L38 PolarHBondContact O-N 3.27Å; E34-A167 HydrophobicContact CB-CB 4.01Å; E34-A167 HydrophobicContact CG-CB 4.48Å
35	R	96.9	Very high	90.6	Very high	74 Å²	74	74.2 Å²	74.2	28%	0.279	35%	0.353	S	S	.	.	H	α-helix	trans	-60.7	-44.9	171.5	-72.5	-172.2	-177.7	87.6	9	111.2	L30 N31 E32 H33 L37 L38 F39	L30-R35 HydrophobicContact CB-CG 3.88Å; L30-R35 HydrophobicContact CD1-CG 4.39Å; L30-R35 PolarHBondContact O-NH1 3.31Å; L30-R35 PolarHBondContact O-NH2 3.26Å; L30-R35 VanDerWaalsContact O-NH2 3.16Å; N31-R35 WeakPolarHBondContact O-CG 3.39Å; N31-R35 PolarHBondContact O-N 3.38Å; E32-R35 PolarHBondContact O-N 2.99Å; H33-R35 VanDerWaalsContact C-N 3.31Å; H33-R35 PolarHBondContact O-N 2.91Å; R35-L37 VanDerWaalsContact C-N 3.29Å; R35-L37 PolarHBondContact O-N 3.16Å; R35-L38 WeakPolarHBondContact O-CB 3.29Å; R35-L38 PolarHBondContact O-N 3.44Å; R35-F39 WeakPolarHBondContact O-CD2 3.14Å; R35-F39 PolarHBondContact O-N 3.2Å; R35-F39 VanDerWaalsContact O-N 3.11Å
36	S	97.2	Very high	92.4	Very high	39 Å²	39	73 Å²	73	27%	0.273	35%	0.346	S	S	.	.	H	α-helix	trans	-57.7	-43.2	176.5	-165.8	0	0	0	0	111.6	E32 H33 E34 F39 K40	E32-S36 WeakPolarHBondContact O-CB 3.27Å; E32-S36 PolarHBondContact O-N 3.05Å; H33-S36 CarbonylContact O-C 3.56Å; H33-S36 WeakPolarHBondContact O-CA 3.44Å; H33-S36 VanDerWaalsContact O-CB 3.24Å; H33-S36 WeakPolarHBondContact O-CB 3.34Å; H33-S36 PolarHBondContact O-N 3.16Å; E34-S36 VanDerWaalsContact C-N 3.35Å; S36-F39 PolarHBondContact O-N 3.14Å; S36-K40 WeakPolarHBondContact O-CB 3.14Å; S36-K40 VanDerWaalsContact O-CG 3.29Å; S36-K40 WeakPolarHBondContact O-CG 3.27Å; S36-K40 PolarHBondContact O-N 3.17Å; S36-K40 VanDerWaalsContact OG-CE 3.28Å; S36-K40 WeakPolarHBondContact OG-CE 3.37Å; S36-K40 PolarHBondContact OG-NZ 3.21Å
37	L	98	Very high	93.6	Very high	4 Å²	4	76.4 Å²	76.4	2%	0.021	36%	0.364	C	S	.	.	H	α-helix	trans	-62.6	-42.3	176.9	-68.8	178.3	0	0	0	112.1	H33 E34 R35 F39 K40 S41 F156 T160 E163 A164	H33-L37 WeakPolarHBondContact O-CG 3.46Å; H33-L37 PolarHBondContact O-N 3.42Å; E34-L37 PolarHBondContact O-N 2.91Å; R35-L37 VanDerWaalsContact C-N 3.29Å; R35-L37 PolarHBondContact O-N 3.16Å; L37-F39 PolarHBondContact O-N 3.03Å; L37-K40 PolarHBondContact O-N 3.36Å; L37-S41 WeakPolarHBondContact O-CB 3.47Å; L37-S41 PolarHBondContact O-N 3.08Å; L37-S41 PolarHBondContact O-OG 3.28Å; L37-F156 HydrophobicContact CD2-CE2 4.18Å; L37-F156 HydrophobicContact CD2-CZ 4.14Å; L37-T160 HydrophobicContact CD2-CG2 3.62Å; L37-E163 HydrophobicContact CD1-CB 3.59Å; L37-A164 HydrophobicContact CB-CB 4.18Å; L37-A164 HydrophobicContact CD1-CB 4.45Å
38	L	97.8	Very high	94.5	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-57.1	-49.2	174.3	-70.9	177.2	0	0	0	111.7	L30 E34 R35 S41 W42 L102 L105 A167 W168 L171	L30-L38 HydrophobicContact CD1-CD1 3.52Å; E34-L38 WeakPolarHBondContact O-CG 3.24Å; E34-L38 PolarHBondContact O-N 3.27Å; R35-L38 WeakPolarHBondContact O-CB 3.29Å; R35-L38 PolarHBondContact O-N 3.44Å; L38-S41 PolarHBondContact O-N 2.97Å; L38-S41 PolarHBondContact O-OG 3.32Å; L38-W42 WeakPolarHBondContact O-CB 3.46Å; L38-W42 PolarHBondContact O-N 3.25Å; L38-W42 VanDerWaalsContact O-N 3.08Å; L38-L102 HydrophobicContact CB-CD2 3.76Å; L38-L102 HydrophobicContact CD1-CD2 4.16Å; L38-L102 HydrophobicContact CG-CD2 4.42Å; L38-L105 HydrophobicContact CD1-CD1 4Å; L38-A167 HydrophobicContact CD2-CB 3.96Å; L38-A167 HydrophobicContact CG-CB 4.01Å; L38-W168 HydrophobicContact CD2-CB 4.35Å; L38-W168 HydrophobicContact CD2-CD2 3.48Å; L38-W168 VanDerWaalsContact CD2-CD2 3.48Å; L38-W168 HydrophobicContact CD2-CE3 3.84Å; L38-W168 HydrophobicContact CD2-CG 3.71Å; L38-W168 HydrophobicContact CD2-CZ2 4.19Å; L38-W168 HydrophobicContact CD2-CZ3 4.34Å; L38-L171 HydrophobicContact CD1-CB 4.37Å; L38-L171 HydrophobicContact CD1-CD2 4.07Å; L38-L171 HydrophobicContact CD2-CD2 4.42Å
39	F	97	Very high	95.1	Very high	115 Å²	115	73.4 Å²	73.4	50%	0.504	35%	0.352	S	S	.	.	H	α-helix	trans	-68.3	-39.7	-179.8	-72.4	-69.9	0	0	0	113	R35 S36 L37 S41 L102 L105	R35-F39 WeakPolarHBondContact O-CD2 3.14Å; R35-F39 PolarHBondContact O-N 3.2Å; R35-F39 VanDerWaalsContact O-N 3.11Å; S36-F39 PolarHBondContact O-N 3.14Å; L37-F39 PolarHBondContact O-N 3.03Å; F39-S41 VanDerWaalsContact C-N 3.32Å; F39-S41 PolarHBondContact O-N 3.31Å; F39-L102 HydrophobicContact CE1-CB 4.36Å; F39-L105 HydrophobicContact CE2-CD1 4.12Å; F39-L105 HydrophobicContact CZ-CD1 4.11Å
40	K	96.8	Very high	95.5	Very high	141 Å²	141	69.1 Å²	69.1	61%	0.613	33%	0.327	S	S	*	.	H	α-helix	trans	-70.4	-27.5	179.1	-74.7	171.2	176.7	165.6	0	113.2	S36 L37 F156	S36-K40 WeakPolarHBondContact O-CB 3.14Å; S36-K40 VanDerWaalsContact O-CG 3.29Å; S36-K40 WeakPolarHBondContact O-CG 3.27Å; S36-K40 PolarHBondContact O-N 3.17Å; S36-K40 VanDerWaalsContact OG-CE 3.28Å; S36-K40 WeakPolarHBondContact OG-CE 3.37Å; S36-K40 PolarHBondContact OG-NZ 3.21Å; L37-K40 PolarHBondContact O-N 3.36Å; K40-F156 HydrophobicContact CB-CE1 4.44Å; K40-F156 HydrophobicContact CB-CZ 3.92Å
41	S	96.8	Very high	95.6	Very high	4 Å²	4	73 Å²	73	3%	0.028	35%	0.347	C	S	.	.	H	α-helix	trans	-94.3	-15.7	-178.5	62.6	0	0	0	0	114	L37 L38 F39 M150 I153 W168	L37-S41 WeakPolarHBondContact O-CB 3.47Å; L37-S41 PolarHBondContact O-N 3.08Å; L37-S41 PolarHBondContact O-OG 3.28Å; L38-S41 PolarHBondContact O-N 2.97Å; L38-S41 PolarHBondContact O-OG 3.32Å; F39-S41 VanDerWaalsContact C-N 3.32Å; F39-S41 PolarHBondContact O-N 3.31Å; S41-M150 WeakPolarHBondContact CB-SD 3.36Å; S41-I153 VanDerWaalsContact CB-CD1 3.47Å; S41-W168 PolarHBondContact OG-NE1 2.65Å
42	W	97.3	Very high	95.6	Very high	37 Å²	37	69.3 Å²	69.3	14%	0.14	33%	0.328	C	S	.	.			trans	-72.2	131.3	177.4	-174.5	-114	0	0	0	112	L38 L49 L52 V95 I98 S99 L102 M146 W168	L38-W42 WeakPolarHBondContact O-CB 3.46Å; L38-W42 PolarHBondContact O-N 3.25Å; L38-W42 VanDerWaalsContact O-N 3.08Å; W42-L49 HydrophobicContact CH2-CD2 3.63Å; W42-L49 HydrophobicContact CZ2-CD2 3.26Å; W42-L52 HydrophobicContact CH2-CD2 3.91Å; W42-L52 HydrophobicContact CZ3-CD2 3.59Å; W42-V95 HydrophobicContact CH2-CB 4.47Å; W42-I98 HydrophobicContact CH2-CB 4.22Å; W42-I98 HydrophobicContact CH2-CG2 3.97Å; W42-I98 HydrophobicContact CZ3-CG2 3.95Å; W42-S99 VanDerWaalsContact CZ2-OG 3.23Å; W42-S99 WeakPolarHBondContact CZ2-OG 2.98Å; W42-L102 HydrophobicContact CB-CD1 3.78Å; W42-L102 HydrophobicContact CD2-CD1 3.57Å; W42-L102 HydrophobicContact CE3-CD1 4.17Å; W42-L102 HydrophobicContact CG-CD1 3.38Å; W42-M146 HydrophobicContact CZ3-CE 3.9Å; W42-W168 HydrophobicContact CB-CZ2 4.17Å; W42-W168 HydrophobicContact CD2-CH2 4.05Å; W42-W168 HydrophobicContact CD2-CZ2 4.3Å; W42-W168 AromaticContact CE3-CH2 3.28Å; W42-W168 HydrophobicContact CE3-CH2 3.28Å; W42-W168 AromaticContact CE3-CZ2 3.54Å; W42-W168 HydrophobicContact CE3-CZ2 3.54Å; W42-W168 HydrophobicContact CE3-CZ3 4.4Å; W42-W168 AromaticContact CZ3-CH2 3.77Å; W42-W168 HydrophobicContact CZ3-CH2 3.77Å; W42-W168 HydrophobicContact CZ3-CZ2 4.31Å
43	R	95.4	Very high	95.7	Very high	109 Å²	109	61.3 Å²	61.3	41%	0.411	29%	0.29	S	S	.	.			trans	-115.4	114.5	174.8	-59.9	-175.5	-170.6	177	3	109.1	S48 L49	R43-S48 WeakPolarHBondContact CB-OG 3.28Å; R43-L49 WeakPolarHBondContact O-CD2 3.15Å
44	D	94.2	Very high	95.6	Very high	126 Å²	126	57 Å²	57	67%	0.674	27%	0.271	S	S	*	.			trans	-101.5	5.7	-173.9	67.4	-15.2	0	0	0	114.1	L49	D44-L49 VanDerWaalsContact O-CD1 3.3Å; D44-L49 WeakPolarHBondContact O-CD1 3.4Å
45	D	95.2	Very high	95.5	Very high	73 Å²	73	57 Å²	57	39%	0.39	28%	0.276	S	S	.	.	S	Bend	trans	-67.4	150.6	170.6	75.7	-91.8	0	0	0	111.4	N47 S48 L49	D45-N47 VanDerWaalsContact C-N 3.29Å; D45-N47 PolarHBondContact O-N 3.1Å; D45-N47 PolarHBondContact OD2-N 3.46Å; D45-N47 VanDerWaalsContact OD2-N 3.13Å; D45-S48 VanDerWaalsContact CG-OG 3.31Å; D45-S48 PolarHBondContact O-N 3.09Å; D45-S48 WeakPolarHBondContact OD1-CB 3.37Å; D45-S48 PolarHBondContact OD1-OG 2.94Å; D45-S48 PolarHBondContact OD2-N 2.99Å; D45-S48 PolarHBondContact OD2-OG 2.69Å; D45-L49 VanDerWaalsContact O-CG 3.31Å; D45-L49 WeakPolarHBondContact O-CG 3.28Å; D45-L49 PolarHBondContact O-N 3.01Å
46	F	92.3	Very high	95.6	Very high	128 Å²	128	53.5 Å²	53.5	56%	0.561	26%	0.263	S	S	*	.	H	α-helix	trans	-55.7	-41.9	-174	176.6	-94.1	0	0	0	113.2	L49 Y50 L92	F46-L49 PolarHBondContact O-N 3.32Å; F46-Y50 VanDerWaalsContact O-CB 3.24Å; F46-Y50 WeakPolarHBondContact O-CB 3.49Å; F46-Y50 PolarHBondContact O-N 3.32Å; F46-L92 HydrophobicContact CE2-CD1 3.84Å; F46-L92 HydrophobicContact CE2-CD2 4.4Å; F46-L92 HydrophobicContact CZ-CD1 4.48Å
47	N	92.7	Very high	95.5	Very high	106 Å²	106	52 Å²	52	57%	0.567	25%	0.251	S	S	*	.	H	α-helix	trans	-68.6	-47.1	-176.3	-67	-25.5	0	0	0	110.5	D45 L49 Y50 D51	D45-N47 VanDerWaalsContact C-N 3.29Å; D45-N47 PolarHBondContact O-N 3.1Å; D45-N47 PolarHBondContact OD2-N 3.46Å; D45-N47 VanDerWaalsContact OD2-N 3.13Å; N47-L49 VanDerWaalsContact C-N 3.31Å; N47-L49 PolarHBondContact O-N 3.09Å; N47-Y50 PolarHBondContact O-N 3.31Å; N47-D51 WeakPolarHBondContact O-CB 3.36Å; N47-D51 VanDerWaalsContact O-CG 3.29Å; N47-D51 PolarHBondContact O-N 3.21Å
48	S	94.1	Very high	95.3	Very high	20 Å²	20	53.1 Å²	53.1	14%	0.14	26%	0.261	C	S	.	.	H	α-helix	trans	-59	-41.7	176.2	-65.8	0	0	0	0	112.3	R43 D45 L52	R43-S48 WeakPolarHBondContact CB-OG 3.28Å; D45-S48 VanDerWaalsContact CG-OG 3.31Å; D45-S48 PolarHBondContact O-N 3.09Å; D45-S48 WeakPolarHBondContact OD1-CB 3.37Å; D45-S48 PolarHBondContact OD1-OG 2.94Å; D45-S48 PolarHBondContact OD2-N 2.99Å; D45-S48 PolarHBondContact OD2-OG 2.69Å; S48-L52 VanDerWaalsContact O-CB 3.3Å; S48-L52 WeakPolarHBondContact O-CB 3.22Å; S48-L52 PolarHBondContact O-N 3.39Å
49	L	94.7	Very high	95.3	Very high	28 Å²	28	55.3 Å²	55.3	15%	0.147	27%	0.271	C	S	.	.	H	α-helix	trans	-68	-41.6	177.8	-69.1	-179.1	0	0	0	112.3	W42 R43 D44 D45 F46 N47 G53 L92 V95	W42-L49 HydrophobicContact CH2-CD2 3.63Å; W42-L49 HydrophobicContact CZ2-CD2 3.26Å; R43-L49 WeakPolarHBondContact O-CD2 3.15Å; D44-L49 VanDerWaalsContact O-CD1 3.3Å; D44-L49 WeakPolarHBondContact O-CD1 3.4Å; D45-L49 VanDerWaalsContact O-CG 3.31Å; D45-L49 WeakPolarHBondContact O-CG 3.28Å; D45-L49 PolarHBondContact O-N 3.01Å; F46-L49 PolarHBondContact O-N 3.32Å; N47-L49 VanDerWaalsContact C-N 3.31Å; N47-L49 PolarHBondContact O-N 3.09Å; L49-G53 PolarHBondContact O-N 3.02Å; L49-L92 HydrophobicContact CB-CD2 4.35Å; L49-V95 HydrophobicContact CB-CG2 4.06Å; L49-V95 HydrophobicContact CD2-CB 4.26Å; L49-V95 HydrophobicContact CD2-CG2 4.26Å
50	Y	93.1	Very high	95.2	Very high	47 Å²	47	49.9 Å²	49.9	18%	0.184	25%	0.247	C	C	.	.	H	α-helix	trans	-64.1	-48.2	177	-176.5	-104.8	0	0	0	111.6	F46 N47 L52 G53 T54 R82	F46-Y50 VanDerWaalsContact O-CB 3.24Å; F46-Y50 WeakPolarHBondContact O-CB 3.49Å; F46-Y50 PolarHBondContact O-N 3.32Å; N47-Y50 PolarHBondContact O-N 3.31Å; Y50-L52 VanDerWaalsContact C-N 3.34Å; Y50-L52 PolarHBondContact O-N 3.21Å; Y50-G53 PolarHBondContact O-N 3.44Å; Y50-T54 HydrophobicContact CD1-CG2 4.41Å; Y50-T54 HydrophobicContact CD2-CG2 4.21Å; Y50-T54 HydrophobicContact CE1-CG2 4.01Å; Y50-T54 HydrophobicContact CE2-CG2 3.76Å; Y50-T54 WeakPolarHBondContact O-CB 3.07Å; Y50-T54 WeakPolarHBondContact O-CG2 3.48Å; Y50-T54 PolarHBondContact O-N 3.16Å; Y50-T54 PolarHBondContact O-OG1 3.18Å; Y50-R82 PolarHBondContact OH-O 2.91Å
51	D	93.6	Very high	95.1	Very high	92 Å²	92	43.4 Å²	43.4	49%	0.492	22%	0.219	S	C	.	.	H	α-helix	trans	-61.5	-43.3	178.6	-74.5	-9.7	0	0	0	111.1	N47 T54 S55	N47-D51 WeakPolarHBondContact O-CB 3.36Å; N47-D51 VanDerWaalsContact O-CG 3.29Å; N47-D51 PolarHBondContact O-N 3.21Å; D51-T54 PolarHBondContact O-OG1 3.21Å; D51-S55 WeakPolarHBondContact O-CB 3.35Å; D51-S55 PolarHBondContact O-N 2.92Å; D51-S55 PolarHBondContact O-OG 3.2Å
52	L	96	Very high	95	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.016	25%	0.249	C	C	.	.	H	α-helix	trans	-63.3	-51.2	176.5	-179.3	54.5	0	0	0	111.5	W42 S48 Y50 T54 S55 I56 V95 C145 M146	W42-L52 HydrophobicContact CH2-CD2 3.91Å; W42-L52 HydrophobicContact CZ3-CD2 3.59Å; S48-L52 VanDerWaalsContact O-CB 3.3Å; S48-L52 WeakPolarHBondContact O-CB 3.22Å; S48-L52 PolarHBondContact O-N 3.39Å; Y50-L52 VanDerWaalsContact C-N 3.34Å; Y50-L52 PolarHBondContact O-N 3.21Å; L52-T54 VanDerWaalsContact C-N 3.34Å; L52-T54 PolarHBondContact O-N 3.11Å; L52-S55 PolarHBondContact O-N 3.03Å; L52-I56 HydrophobicContact CD1-CD1 3.76Å; L52-I56 HydrophobicContact CD1-CG1 4.06Å; L52-I56 HydrophobicContact CG-CD1 3.86Å; L52-I56 VanDerWaalsContact O-CG1 3.31Å; L52-I56 WeakPolarHBondContact O-CG1 3.36Å; L52-I56 PolarHBondContact O-N 3.06Å; L52-V95 HydrophobicContact CB-CG1 4.01Å; L52-V95 HydrophobicContact CD2-CG1 3.92Å; L52-V95 HydrophobicContact CG-CG1 3.8Å; L52-C145 HydrophobicContact CD1-CB 3.96Å; L52-M146 HydrophobicContact CD1-SD 4.49Å; L52-M146 HydrophobicContact CD2-CE 3.82Å; L52-M146 HydrophobicContact CD2-SD 4.31Å
53	G	96.3	Very high	94.9	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62.1	-42.6	-176.1	0	0	0	0	0	112.2	L49 Y50 Y57	L49-G53 PolarHBondContact O-N 3.02Å; Y50-G53 PolarHBondContact O-N 3.44Å; G53-Y57 WeakPolarHBondContact O-CD2 3.12Å; G53-Y57 PolarHBondContact O-N 2.98Å
54	T	94.6	Very high	94.9	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.006	25%	0.245	C	C	.	.	H	α-helix	trans	-71.3	-38	177.9	56.4	0	0	0	0	112	Y50 D51 L52 I56 Y57 A58 R82 A91	Y50-T54 HydrophobicContact CD1-CG2 4.41Å; Y50-T54 HydrophobicContact CD2-CG2 4.21Å; Y50-T54 HydrophobicContact CE1-CG2 4.01Å; Y50-T54 HydrophobicContact CE2-CG2 3.76Å; Y50-T54 WeakPolarHBondContact O-CB 3.07Å; Y50-T54 WeakPolarHBondContact O-CG2 3.48Å; Y50-T54 PolarHBondContact O-N 3.16Å; Y50-T54 PolarHBondContact O-OG1 3.18Å; D51-T54 PolarHBondContact O-OG1 3.21Å; L52-T54 VanDerWaalsContact C-N 3.34Å; L52-T54 PolarHBondContact O-N 3.11Å; T54-I56 PolarHBondContact O-N 2.93Å; T54-Y57 PolarHBondContact O-N 3.05Å; T54-A58 WeakPolarHBondContact O-CB 3.22Å; T54-A58 PolarHBondContact O-N 2.87Å; T54-R82 HydrophobicContact CG2-CG 4.26Å; T54-A91 HydrophobicContact CG2-CB 3.78Å
55	S	95.6	Very high	94.8	Very high	50 Å²	50	44.3 Å²	44.3	35%	0.35	24%	0.239	S	C	.	.	H	α-helix	trans	-61.3	-42.7	174	-61.7	0	0	0	0	111.8	D51 L52 Y57 A58 E59 C145	D51-S55 WeakPolarHBondContact O-CB 3.35Å; D51-S55 PolarHBondContact O-N 2.92Å; D51-S55 PolarHBondContact O-OG 3.2Å; L52-S55 PolarHBondContact O-N 3.03Å; S55-Y57 PolarHBondContact O-N 3.36Å; S55-A58 PolarHBondContact O-N 3.38Å; S55-E59 WeakPolarHBondContact O-CB 3.5Å; S55-E59 PolarHBondContact O-N 3.46Å; S55-C145 VanDerWaalsContact C-SG 3.55Å
56	I	97.8	Very high	94.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.7	-47.3	175.9	-72.2	167.7	0	0	0	110.5	L52 T54 E59 I60 F94 I98 A141 I142 C145	L52-I56 HydrophobicContact CD1-CD1 3.76Å; L52-I56 HydrophobicContact CD1-CG1 4.06Å; L52-I56 HydrophobicContact CG-CD1 3.86Å; L52-I56 VanDerWaalsContact O-CG1 3.31Å; L52-I56 WeakPolarHBondContact O-CG1 3.36Å; L52-I56 PolarHBondContact O-N 3.06Å; T54-I56 PolarHBondContact O-N 2.93Å; I56-E59 PolarHBondContact O-N 3.01Å; I56-I60 HydrophobicContact CG2-CD1 3.79Å; I56-I60 HydrophobicContact CG2-CG1 4.43Å; I56-I60 VanDerWaalsContact O-CG1 3.26Å; I56-I60 WeakPolarHBondContact O-CG1 3.22Å; I56-I60 PolarHBondContact O-N 3.24Å; I56-F94 HydrophobicContact CD1-CD1 4.25Å; I56-F94 HydrophobicContact CD1-CE1 4.33Å; I56-F94 HydrophobicContact CG2-CD1 4.17Å; I56-F94 HydrophobicContact CG2-CD2 4.43Å; I56-F94 HydrophobicContact CG2-CE1 3.9Å; I56-F94 HydrophobicContact CG2-CE2 4.14Å; I56-F94 HydrophobicContact CG2-CG 4.45Å; I56-F94 HydrophobicContact CG2-CZ 3.87Å; I56-I98 HydrophobicContact CD1-CD1 4.05Å; I56-A141 HydrophobicContact CG2-CB 4.28Å; I56-I142 HydrophobicContact CD1-CG1 4.35Å; I56-I142 HydrophobicContact CG2-CG1 4.46Å; I56-C145 HydrophobicContact CG1-CB 3.8Å
57	Y	96	Very high	94.6	Very high	8 Å²	8	38.7 Å²	38.7	3%	0.031	22%	0.215	C	C	.	.	H	α-helix	trans	-68.3	-34.4	178.1	-85.8	-71.9	0	0	0	113.6	G53 T54 S55 E59 I60 F61 F71 I81 F87 Q90 A91 F94	G53-Y57 WeakPolarHBondContact O-CD2 3.12Å; G53-Y57 PolarHBondContact O-N 2.98Å; T54-Y57 PolarHBondContact O-N 3.05Å; S55-Y57 PolarHBondContact O-N 3.36Å; Y57-E59 VanDerWaalsContact C-N 3.29Å; Y57-E59 PolarHBondContact O-N 3.19Å; Y57-I60 HydrophobicContact CD1-CD1 4.17Å; Y57-I60 HydrophobicContact CE1-CD1 4.48Å; Y57-I60 PolarHBondContact O-N 2.87Å; Y57-F61 HydrophobicContact CD1-CE1 4.47Å; Y57-F61 HydrophobicContact CD1-CE2 4.16Å; Y57-F61 AromaticContact CD1-CZ 3.89Å; Y57-F61 HydrophobicContact CD1-CZ 3.89Å; Y57-F61 VanDerWaalsContact O-CD2 3.26Å; Y57-F61 WeakPolarHBondContact O-CD2 3.26Å; Y57-F61 WeakPolarHBondContact O-CG 3.42Å; Y57-F61 PolarHBondContact O-N 2.92Å; Y57-F71 HydrophobicContact CE1-CE1 4.2Å; Y57-F71 HydrophobicContact CE1-CE2 4.28Å; Y57-F71 AromaticContact CE1-CZ 3.68Å; Y57-F71 HydrophobicContact CE1-CZ 3.68Å; Y57-I81 VanDerWaalsContact CB-CD1 3.41Å; Y57-F87 AromaticContact CD1-CE1 3.87Å; Y57-F87 HydrophobicContact CD1-CE1 3.87Å; Y57-F87 AromaticContact CD1-CZ 3.46Å; Y57-F87 HydrophobicContact CD1-CZ 3.46Å; Y57-F87 VanDerWaalsContact CD1-CZ 3.46Å; Y57-F87 AromaticContact CD2-CE1 3.63Å; Y57-F87 HydrophobicContact CD2-CE1 3.63Å; Y57-F87 AromaticContact CD2-CZ 3.89Å; Y57-F87 HydrophobicContact CD2-CZ 3.89Å; Y57-F87 HydrophobicContact CE1-CE1 4.43Å; Y57-F87 AromaticContact CE1-CZ 3.72Å; Y57-F87 HydrophobicContact CE1-CZ 3.72Å; Y57-F87 HydrophobicContact CE2-CE1 4.23Å; Y57-F87 HydrophobicContact CE2-CZ 4.14Å; Y57-F87 AromaticContact CG-CE1 3.43Å; Y57-F87 HydrophobicContact CG-CE1 3.43Å; Y57-F87 VanDerWaalsContact CG-CE1 3.43Å; Y57-F87 AromaticContact CG-CZ 3.54Å; Y57-F87 HydrophobicContact CG-CZ 3.54Å; Y57-Q90 HydrophobicContact CE2-CG 4.17Å; Y57-Q90 WeakPolarHBondContact CE2-O 3.28Å; Y57-Q90 WeakPolarHBondContact OH-CG 3.22Å; Y57-Q90 PolarHBondContact OH-NE2 3.17Å; Y57-A91 HydrophobicContact CD2-CB 4.18Å; Y57-F94 HydrophobicContact CE1-CD2 4.5Å; Y57-F94 HydrophobicContact CE2-CB 3.89Å; Y57-F94 AromaticContact CE2-CD2 3.88Å; Y57-F94 HydrophobicContact CE2-CD2 3.88Å; Y57-F94 HydrophobicContact CE2-CG 4.27Å; Y57-F94 AromaticContact CZ-CD2 3.79Å
58	A	94	Very high	94.5	Very high	27 Å²	27	38.3 Å²	38.3	22%	0.223	21%	0.206	C	C	.	.	H	α-helix	trans	-62.3	-42.3	174.8	0	0	0	0	0	110.3	T54 S55 F61 T62 I81	T54-A58 WeakPolarHBondContact O-CB 3.22Å; T54-A58 PolarHBondContact O-N 2.87Å; S55-A58 PolarHBondContact O-N 3.38Å; A58-F61 PolarHBondContact O-N 3.39Å; A58-T62 WeakPolarHBondContact O-CB 3.45Å; A58-T62 PolarHBondContact O-N 2.71Å; A58-T62 PolarHBondContact O-OG1 3.04Å; A58-I81 HydrophobicContact CB-CD1 4.18Å
59	E	96.7	Very high	94.2	Very high	46 Å²	46	43 Å²	43	22%	0.215	22%	0.224	C	C	.	.	H	α-helix	trans	-65	-44.4	174.9	-172.4	63.8	-167.1	0	0	111.6	S55 I56 Y57 F61 T62 K63 A141	S55-E59 WeakPolarHBondContact O-CB 3.5Å; S55-E59 PolarHBondContact O-N 3.46Å; I56-E59 PolarHBondContact O-N 3.01Å; Y57-E59 VanDerWaalsContact C-N 3.29Å; Y57-E59 PolarHBondContact O-N 3.19Å; E59-F61 PolarHBondContact O-N 3.29Å; E59-T62 PolarHBondContact O-N 3.31Å; E59-K63 WeakPolarHBondContact O-CG 3.38Å; E59-K63 PolarHBondContact O-N 3.36Å; E59-K63 WeakPolarHBondContact OE1-CE 3.49Å; E59-K63 IonicContact OE1-NZ 2.68Å; E59-K63 PolarHBondContact OE1-NZ 3.46Å; E59-A141 HydrophobicContact CB-CB 3.94Å; E59-A141 HydrophobicContact CG-CB 3.78Å
60	I	96.9	Very high	94.1	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-56.3	-48.8	174.4	-70.8	166.2	0	0	0	110.8	I56 Y57 T62 K63 A64 F94 I137 F138 A141	I56-I60 HydrophobicContact CG2-CD1 3.79Å; I56-I60 HydrophobicContact CG2-CG1 4.43Å; I56-I60 VanDerWaalsContact O-CG1 3.26Å; I56-I60 WeakPolarHBondContact O-CG1 3.22Å; I56-I60 PolarHBondContact O-N 3.24Å; Y57-I60 HydrophobicContact CD1-CD1 4.17Å; Y57-I60 HydrophobicContact CE1-CD1 4.48Å; Y57-I60 PolarHBondContact O-N 2.87Å; I60-T62 VanDerWaalsContact C-N 3.31Å; I60-T62 PolarHBondContact O-N 3.42Å; I60-K63 PolarHBondContact O-N 2.94Å; I60-A64 PolarHBondContact O-N 3.32Å; I60-F94 HydrophobicContact CD1-CE2 3.95Å; I60-F94 HydrophobicContact CD1-CZ 4.46Å; I60-I137 HydrophobicContact CB-CG2 4.39Å; I60-I137 HydrophobicContact CG1-CG2 4.35Å; I60-I137 HydrophobicContact CG2-CG2 4.17Å; I60-F138 HydrophobicContact CD1-CD1 3.58Å; I60-F138 HydrophobicContact CD1-CE1 3.83Å; I60-F138 HydrophobicContact CD1-CG 4.36Å; I60-F138 HydrophobicContact CG1-CD1 3.91Å; I60-F138 HydrophobicContact CG1-CE1 4.31Å; I60-F138 HydrophobicContact CG2-CD1 4.24Å; I60-F138 HydrophobicContact CG2-CE1 3.93Å; I60-A141 HydrophobicContact CD1-CB 4.38Å; I60-A141 HydrophobicContact CG1-CB 3.55Å
61	F	94	Very high	94	Very high	5 Å²	5	41.9 Å²	41.9	2%	0.022	22%	0.22	C	C	.	.	H	α-helix	trans	-76	-20	-177.8	-62.2	-33.9	0	0	0	113.7	Y57 A58 E59 A64 P65 A67 R68 F71 L74 I81 F87	Y57-F61 HydrophobicContact CD1-CE1 4.47Å; Y57-F61 HydrophobicContact CD1-CE2 4.16Å; Y57-F61 AromaticContact CD1-CZ 3.89Å; Y57-F61 HydrophobicContact CD1-CZ 3.89Å; Y57-F61 VanDerWaalsContact O-CD2 3.26Å; Y57-F61 WeakPolarHBondContact O-CD2 3.26Å; Y57-F61 WeakPolarHBondContact O-CG 3.42Å; Y57-F61 PolarHBondContact O-N 2.92Å; A58-F61 PolarHBondContact O-N 3.39Å; E59-F61 PolarHBondContact O-N 3.29Å; F61-A64 CarbonylContact O-C 3.32Å; F61-P65 WeakPolarHBondContact O-CA 3.47Å; F61-P65 WeakPolarHBondContact O-CG 3.15Å; F61-A67 HydrophobicContact CD1-CB 4.27Å; F61-A67 HydrophobicContact CE1-CB 4.27Å; F61-R68 HydrophobicContact CB-CG 3.89Å; F61-R68 HydrophobicContact CD1-CB 4.37Å; F61-R68 HydrophobicContact CD1-CG 3.46Å; F61-R68 VanDerWaalsContact CD1-CG 3.46Å; F61-R68 HydrophobicContact CD2-CG 3.71Å; F61-R68 HydrophobicContact CE1-CB 4.4Å; F61-R68 HydrophobicContact CE1-CG 3.84Å; F61-R68 HydrophobicContact CE2-CG 4.07Å; F61-R68 HydrophobicContact CG-CG 3.4Å; F61-R68 VanDerWaalsContact CG-CG 3.4Å; F61-R68 HydrophobicContact CZ-CG 4.13Å; F61-F71 AromaticContact CE1-CD2 3.95Å; F61-F71 HydrophobicContact CE1-CD2 3.95Å; F61-F71 AromaticContact CE1-CE2 3.77Å; F61-F71 HydrophobicContact CE1-CE2 3.77Å; F61-F71 AromaticContact CZ-CD2 3.64Å; F61-F71 HydrophobicContact CZ-CD2 3.64Å; F61-F71 AromaticContact CZ-CE2 3.67Å; F61-F71 HydrophobicContact CZ-CE2 3.67Å; F61-L74 HydrophobicContact CD2-CD1 4.48Å; F61-L74 HydrophobicContact CE2-CD1 3.53Å; F61-L74 HydrophobicContact CZ-CD1 3.75Å; F61-I81 HydrophobicContact CD2-CD1 3.82Å; F61-I81 HydrophobicContact CD2-CG2 3.95Å; F61-I81 HydrophobicContact CE2-CD1 3.96Å; F61-I81 HydrophobicContact CE2-CG2 4Å; F61-F87 HydrophobicContact CE2-CE1 4.08Å; F61-F87 HydrophobicContact CE2-CE2 4.35Å; F61-F87 AromaticContact CE2-CZ 3.69Å; F61-F87 HydrophobicContact CE2-CZ 3.69Å; F61-F87 HydrophobicContact CZ-CE2 4.26Å; F61-F87 AromaticContact CZ-CZ 3.77Å; F61-F87 HydrophobicContact CZ-CZ 3.77Å
62	T	94.5	Very high	93.8	Very high	105 Å²	105	41.9 Å²	41.9	64%	0.644	22%	0.224	S	C	*	.	H	α-helix	trans	-69.4	-42.8	168.9	-61.1	0	0	0	0	110.3	A58 E59 I60	A58-T62 WeakPolarHBondContact O-CB 3.45Å; A58-T62 PolarHBondContact O-N 2.71Å; A58-T62 PolarHBondContact O-OG1 3.04Å; E59-T62 PolarHBondContact O-N 3.31Å; I60-T62 VanDerWaalsContact C-N 3.31Å; I60-T62 PolarHBondContact O-N 3.42Å
63	K	95.9	Very high	93.3	Very high	100 Å²	100	45.1 Å²	45.1	44%	0.435	24%	0.244	S	C	.	.	H	α-helix	trans	-78.5	-32.6	178.9	-63.3	-170.4	-165.7	-51.8	0	114	E59 I60 I137 D140	E59-K63 WeakPolarHBondContact O-CG 3.38Å; E59-K63 PolarHBondContact O-N 3.36Å; E59-K63 WeakPolarHBondContact OE1-CE 3.49Å; E59-K63 IonicContact OE1-NZ 2.68Å; E59-K63 PolarHBondContact OE1-NZ 3.46Å; I60-K63 PolarHBondContact O-N 2.94Å; K63-I137 HydrophobicContact CB-CG2 4Å; K63-D140 HydrophobicContact CD-CB 4.32Å
64	A	94.9	Very high	92.9	Very high	6 Å²	6	45.7 Å²	45.7	5%	0.05	25%	0.248	C	C	.	.			trans	-135.7	78.7	178.9	0	0	0	0	0	110.8	I60 F61 D66 A67 I137	I60-A64 PolarHBondContact O-N 3.32Å; F61-A64 CarbonylContact O-C 3.32Å; A64-D66 PolarHBondContact O-N 3.41Å; A64-A67 HydrophobicContact CB-CB 4.06Å; A64-A67 VanDerWaalsContact O-CB 3.25Å; A64-A67 WeakPolarHBondContact O-CB 3.2Å; A64-A67 PolarHBondContact O-N 3.48Å; A64-I137 HydrophobicContact CB-CD1 3.67Å; A64-I137 HydrophobicContact CB-CG2 4.48Å
65	P	91.8	Very high	92.3	Very high	84 Å²	84	49.3 Å²	49.3	55%	0.545	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-57.3	-33.1	-179.5	-25.5	34.3	0	0	0	113.1	F61 A67 R68	F61-P65 WeakPolarHBondContact O-CA 3.47Å; F61-P65 WeakPolarHBondContact O-CG 3.15Å; P65-A67 PolarHBondContact O-N 3.47Å; P65-R68 WeakPolarHBondContact O-CB 3.49Å; P65-R68 WeakPolarHBondContact O-CG 3.11Å; P65-R68 PolarHBondContact O-N 2.81Å
66	D	90.3	Very high	91.6	Very high	80 Å²	80	54.4 Å²	54.4	43%	0.428	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-69.6	-20.9	-180	81.8	-59.9	0	0	0	112.7	A64 R68 K69	A64-D66 PolarHBondContact O-N 3.41Å; D66-R68 PolarHBondContact O-N 3.02Å; D66-K69 WeakPolarHBondContact O-CD 3.28Å; D66-K69 VanDerWaalsContact O-CE 3.24Å; D66-K69 WeakPolarHBondContact O-CE 3.49Å; D66-K69 WeakPolarHBondContact O-CG 3.25Å; D66-K69 PolarHBondContact O-N 3.46Å; D66-K69 IonicContact OD2-NZ 2.79Å; D66-K69 PolarHBondContact OD2-NZ 3.21Å
67	A	92.4	Very high	91.1	Very high	3 Å²	3	58.5 Å²	58.5	3%	0.025	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-64	-19.8	174.4	0	0	0	0	0	112.4	F61 A64 P65 K69 L70	F61-A67 HydrophobicContact CD1-CB 4.27Å; F61-A67 HydrophobicContact CE1-CB 4.27Å; A64-A67 HydrophobicContact CB-CB 4.06Å; A64-A67 VanDerWaalsContact O-CB 3.25Å; A64-A67 WeakPolarHBondContact O-CB 3.2Å; A64-A67 PolarHBondContact O-N 3.48Å; P65-A67 PolarHBondContact O-N 3.47Å; A67-K69 PolarHBondContact O-N 3.28Å; A67-L70 HydrophobicContact CB-CD1 4.3Å; A67-L70 WeakPolarHBondContact O-CB 3.2Å; A67-L70 WeakPolarHBondContact O-CG 3.32Å; A67-L70 PolarHBondContact O-N 3.06Å
68	R	90.5	Very high	90.5	Very high	98 Å²	98	64.2 Å²	64.2	37%	0.37	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-55.5	-35.1	173.5	-73.9	-175.3	169	-168.7	-0.9	112.3	F61 P65 D66 L70 F71	F61-R68 HydrophobicContact CB-CG 3.89Å; F61-R68 HydrophobicContact CD1-CB 4.37Å; F61-R68 HydrophobicContact CD1-CG 3.46Å; F61-R68 VanDerWaalsContact CD1-CG 3.46Å; F61-R68 HydrophobicContact CD2-CG 3.71Å; F61-R68 HydrophobicContact CE1-CB 4.4Å; F61-R68 HydrophobicContact CE1-CG 3.84Å; F61-R68 HydrophobicContact CE2-CG 4.07Å; F61-R68 HydrophobicContact CG-CG 3.4Å; F61-R68 VanDerWaalsContact CG-CG 3.4Å; F61-R68 HydrophobicContact CZ-CG 4.13Å; P65-R68 WeakPolarHBondContact O-CB 3.49Å; P65-R68 WeakPolarHBondContact O-CG 3.11Å; P65-R68 PolarHBondContact O-N 2.81Å; D66-R68 PolarHBondContact O-N 3.02Å; R68-L70 PolarHBondContact O-N 2.87Å; R68-L70 VanDerWaalsContact O-N 3.09Å; R68-F71 PolarHBondContact O-N 2.91Å
69	K	89.2	Confident	90.1	Very high	120 Å²	120	64.5 Å²	64.5	52%	0.522	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-64	-16	178.9	82.1	-156.7	163.6	-162.5	0	113.6	D66 A67 F71	D66-K69 WeakPolarHBondContact O-CD 3.28Å; D66-K69 VanDerWaalsContact O-CE 3.24Å; D66-K69 WeakPolarHBondContact O-CE 3.49Å; D66-K69 WeakPolarHBondContact O-CG 3.25Å; D66-K69 PolarHBondContact O-N 3.46Å; D66-K69 IonicContact OD2-NZ 2.79Å; D66-K69 PolarHBondContact OD2-NZ 3.21Å; A67-K69 PolarHBondContact O-N 3.28Å; K69-F71 PolarHBondContact O-N 3.16Å
70	L	91.7	Very high	89.6	Confident	15 Å²	15	64.7 Å²	64.7	8%	0.079	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-71.9	-10.4	174.5	-57.9	175.6	0	0	0	112.6	A67 R68 R128 F130	A67-L70 HydrophobicContact CB-CD1 4.3Å; A67-L70 WeakPolarHBondContact O-CB 3.2Å; A67-L70 WeakPolarHBondContact O-CG 3.32Å; A67-L70 PolarHBondContact O-N 3.06Å; R68-L70 PolarHBondContact O-N 2.87Å; R68-L70 VanDerWaalsContact O-N 3.09Å; L70-R128 HydrophobicContact CD2-CB 3.98Å; L70-R128 WeakPolarHBondContact CD2-O 3.45Å; L70-R128 PolarHBondContact O-NH1 3.46Å; L70-R128 PolarHBondContact O-NH2 3.39Å; L70-F130 HydrophobicContact CD1-CB 4.22Å; L70-F130 HydrophobicContact CD1-CD2 3.95Å; L70-F130 HydrophobicContact CD2-CB 4.47Å
71	F	91.1	Very high	89.1	Confident	36 Å²	36	64.7 Å²	64.7	16%	0.158	36%	0.363	C	S	.	.			trans	-117.3	100	-178	-58.9	-85.3	0	0	0	109.6	Y57 F61 R68 K69 T73 L74 F87 Q90	Y57-F71 HydrophobicContact CE1-CE1 4.2Å; Y57-F71 HydrophobicContact CE1-CE2 4.28Å; Y57-F71 AromaticContact CE1-CZ 3.68Å; Y57-F71 HydrophobicContact CE1-CZ 3.68Å; F61-F71 AromaticContact CE1-CD2 3.95Å; F61-F71 HydrophobicContact CE1-CD2 3.95Å; F61-F71 AromaticContact CE1-CE2 3.77Å; F61-F71 HydrophobicContact CE1-CE2 3.77Å; F61-F71 AromaticContact CZ-CD2 3.64Å; F61-F71 HydrophobicContact CZ-CD2 3.64Å; F61-F71 AromaticContact CZ-CE2 3.67Å; F61-F71 HydrophobicContact CZ-CE2 3.67Å; R68-F71 PolarHBondContact O-N 2.91Å; K69-F71 PolarHBondContact O-N 3.16Å; F71-T73 PolarHBondContact O-N 3.24Å; F71-T73 VanDerWaalsContact O-N 3.12Å; F71-L74 HydrophobicContact CB-CB 4.31Å; F71-L74 HydrophobicContact CB-CD1 3.98Å; F71-L74 HydrophobicContact CB-CG 4.02Å; F71-L74 HydrophobicContact CG-CD1 4.46Å; F71-L74 PolarHBondContact O-N 2.93Å; F71-F87 HydrophobicContact CB-CE2 4.09Å; F71-F87 AromaticContact CD1-CE2 3.65Å; F71-F87 HydrophobicContact CD1-CE2 3.65Å; F71-F87 HydrophobicContact CD1-CZ 4.46Å; F71-F87 HydrophobicContact CD2-CE2 4.29Å; F71-F87 HydrophobicContact CE1-CE2 4.14Å; F71-F87 AromaticContact CG-CE2 3.73Å; F71-F87 HydrophobicContact CG-CE2 3.73Å; F71-Q90 HydrophobicContact CD1-CG 4.11Å; F71-Q90 HydrophobicContact CE1-CG 3.74Å
72	P	88.9	Confident	88.6	Confident	91 Å²	91	70.4 Å²	70.4	59%	0.591	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-58.8	-29.2	-178	-23.9	35.8	0	0	0	112.8	L74 A75 R128	P72-L74 PolarHBondContact O-N 3.22Å; P72-A75 VanDerWaalsContact O-CB 3.28Å; P72-A75 WeakPolarHBondContact O-CB 3.21Å; P72-A75 PolarHBondContact O-N 3.4Å; P72-A75 VanDerWaalsContact O-N 3.11Å; P72-R128 VanDerWaalsContact CD-NH2 3.33Å
73	T	86.1	Confident	88.2	Confident	71 Å²	71	70.8 Å²	70.8	44%	0.436	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-61.8	-22.1	175.3	55.5	0	0	0	0	113.4	F71 Q86	F71-T73 PolarHBondContact O-N 3.24Å; F71-T73 VanDerWaalsContact O-N 3.12Å; T73-Q86 HydrophobicContact CG2-CB 4.16Å
74	L	87.8	Confident	87.7	Confident	13 Å²	13	66 Å²	66	7%	0.068	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-96.1	-5.7	177.7	-64.1	-177.8	0	0	0	113.3	F61 F71 P72 N76 W77 I81 C84 F87	F61-L74 HydrophobicContact CD2-CD1 4.48Å; F61-L74 HydrophobicContact CE2-CD1 3.53Å; F61-L74 HydrophobicContact CZ-CD1 3.75Å; F71-L74 HydrophobicContact CB-CB 4.31Å; F71-L74 HydrophobicContact CB-CD1 3.98Å; F71-L74 HydrophobicContact CB-CG 4.02Å; F71-L74 HydrophobicContact CG-CD1 4.46Å; F71-L74 PolarHBondContact O-N 2.93Å; P72-L74 PolarHBondContact O-N 3.22Å; L74-N76 PolarHBondContact O-N 3.23Å; L74-W77 HydrophobicContact CD2-CB 4.29Å; L74-W77 PolarHBondContact O-N 2.89Å; L74-I81 HydrophobicContact CD1-CG2 4.12Å; L74-I81 HydrophobicContact CD2-CG2 4.1Å; L74-C84 HydrophobicContact CD2-CB 4.33Å; L74-F87 HydrophobicContact CD1-CD2 3.77Å; L74-F87 HydrophobicContact CD1-CE2 3.65Å; L74-F87 HydrophobicContact CD1-CG 4.38Å; L74-F87 HydrophobicContact CD1-CZ 4.18Å; L74-F87 HydrophobicContact CD2-CB 3.99Å; L74-F87 HydrophobicContact CD2-CD2 3.83Å; L74-F87 HydrophobicContact CD2-CG 3.94Å; L74-F87 HydrophobicContact CG-CD2 3.74Å; L74-F87 HydrophobicContact CG-CE2 4.1Å; L74-F87 HydrophobicContact CG-CG 4.35Å
75	A	82.5	Confident	87	Confident	76 Å²	76	69.7 Å²	69.7	63%	0.628	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-32.7	-171.4	0	0	0	0	0	113.4	P72	P72-A75 VanDerWaalsContact O-CB 3.28Å; P72-A75 WeakPolarHBondContact O-CB 3.21Å; P72-A75 PolarHBondContact O-N 3.4Å; P72-A75 VanDerWaalsContact O-N 3.11Å
76	N	81	Confident	86.5	Confident	158 Å²	158	70.8 Å²	70.8	85%	0.845	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.5	16.2	-179.9	-59.7	-30	0	0	0	112.9	L74 P78	L74-N76 PolarHBondContact O-N 3.23Å; N76-P78 WeakPolarHBondContact O-CD 3.41Å
77	W	87.9	Confident	86.2	Confident	85 Å²	85	67 Å²	67	32%	0.322	36%	0.362	S	S	.	.			trans	-99	102.4	179.5	-170.2	-92.7	0	0	0	110.5	L74 G79 D80 D83 C84	L74-W77 HydrophobicContact CD2-CB 4.29Å; L74-W77 PolarHBondContact O-N 2.89Å; W77-G79 PolarHBondContact NE1-O 2.97Å; W77-D80 PolarHBondContact NE1-O 3.38Å; W77-D83 WeakPolarHBondContact CH2-O 3.42Å; W77-D83 HydrophobicContact CZ2-CB 3.86Å; W77-D83 VanDerWaalsContact CZ2-O 3.24Å; W77-D83 WeakPolarHBondContact CZ2-O 3.45Å; W77-C84 HydrophobicContact CD2-CB 3.74Å; W77-C84 HydrophobicContact CE3-CB 4.32Å; W77-C84 HydrophobicContact CG-CB 3.97Å; W77-C84 HydrophobicContact CZ2-CB 4.05Å
78	P	83.1	Confident	85.9	Confident	128 Å²	128	68.3 Å²	68.3	83%	0.831	37%	0.372	S	S	*	.			trans	-81.2	-19	-177.9	33.2	-36.4	0	0	0	113	N76	N76-P78 WeakPolarHBondContact O-CD 3.41Å
79	G	85.5	Confident	85.8	Confident	34 Å²	34	66.4 Å²	66.4	35%	0.351	37%	0.373	S	S	.	.	S	Bend	trans	-83.7	-168.1	-172.5	0	0	0	0	0	114.1	W77	W77-G79 PolarHBondContact NE1-O 2.97Å
80	D	85.7	Confident	86	Confident	49 Å²	49	63.1 Å²	63.1	26%	0.262	36%	0.36	S	S	.	.			trans	-66.4	136.1	172.8	-161.3	-49.8	0	0	0	110.2	W77 R82 D83	W77-D80 PolarHBondContact NE1-O 3.38Å; D80-R82 VanDerWaalsContact CG-NE 3.29Å; D80-R82 PolarHBondContact O-N 3.01Å; D80-R82 VanDerWaalsContact OD1-CB 3.29Å; D80-R82 WeakPolarHBondContact OD1-CB 3.46Å; D80-R82 WeakPolarHBondContact OD1-CG 3.32Å; D80-R82 PolarHBondContact OD1-N 3.22Å; D80-R82 IonicContact OD1-NE 3.11Å; D80-R82 PolarHBondContact OD1-NE 3.12Å; D80-R82 VanDerWaalsContact OD1-NE 3.11Å; D80-R82 IonicContact OD2-CZ 2.73Å; D80-R82 IonicContact OD2-NE 2.98Å; D80-R82 PolarHBondContact OD2-NE 3.11Å; D80-R82 IonicContact OD2-NH2 2.64Å; D80-R82 PolarHBondContact OD2-NH2 3.22Å; D80-D83 PolarHBondContact O-N 2.79Å; D80-D83 VanDerWaalsContact O-N 3.09Å
81	I	85.5	Confident	86	Confident	2 Å²	2	62.4 Å²	62.4	1%	0.01	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-63.9	-23.2	178.2	64.9	173.2	0	0	0	112.3	Y57 A58 F61 L74 D83 C84 F87	Y57-I81 VanDerWaalsContact CB-CD1 3.41Å; A58-I81 HydrophobicContact CB-CD1 4.18Å; F61-I81 HydrophobicContact CD2-CD1 3.82Å; F61-I81 HydrophobicContact CD2-CG2 3.95Å; F61-I81 HydrophobicContact CE2-CD1 3.96Å; F61-I81 HydrophobicContact CE2-CG2 4Å; L74-I81 HydrophobicContact CD1-CG2 4.12Å; L74-I81 HydrophobicContact CD2-CG2 4.1Å; I81-D83 PolarHBondContact O-N 3.04Å; I81-C84 WeakPolarHBondContact O-CB 3.38Å; I81-C84 PolarHBondContact O-N 3.3Å; I81-C84 VanDerWaalsContact O-N 3.16Å; I81-F87 HydrophobicContact CB-CD1 3.98Å; I81-F87 HydrophobicContact CB-CE1 4.38Å; I81-F87 HydrophobicContact CD1-CD1 4.26Å; I81-F87 HydrophobicContact CD1-CE1 3.91Å; I81-F87 HydrophobicContact CG1-CD1 4.49Å
82	R	84.1	Confident	86.2	Confident	125 Å²	125	62.4 Å²	62.4	47%	0.472	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-62.3	-27.2	174.9	-73.5	176.8	-70	175.7	3.5	112.4	Y50 T54 D80	Y50-R82 PolarHBondContact OH-O 2.91Å; T54-R82 HydrophobicContact CG2-CG 4.26Å; D80-R82 VanDerWaalsContact CG-NE 3.29Å; D80-R82 PolarHBondContact O-N 3.01Å; D80-R82 VanDerWaalsContact OD1-CB 3.29Å; D80-R82 WeakPolarHBondContact OD1-CB 3.46Å; D80-R82 WeakPolarHBondContact OD1-CG 3.32Å; D80-R82 PolarHBondContact OD1-N 3.22Å; D80-R82 IonicContact OD1-NE 3.11Å; D80-R82 PolarHBondContact OD1-NE 3.12Å; D80-R82 VanDerWaalsContact OD1-NE 3.11Å; D80-R82 IonicContact OD2-CZ 2.73Å; D80-R82 IonicContact OD2-NE 2.98Å; D80-R82 PolarHBondContact OD2-NE 3.11Å; D80-R82 IonicContact OD2-NH2 2.64Å; D80-R82 PolarHBondContact OD2-NH2 3.22Å
83	D	85.7	Confident	86.5	Confident	112 Å²	112	63.3 Å²	63.3	60%	0.599	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-95	-5.7	179.9	-56.9	-36.4	0	0	0	112	W77 D80 I81 P85	W77-D83 WeakPolarHBondContact CH2-O 3.42Å; W77-D83 HydrophobicContact CZ2-CB 3.86Å; W77-D83 VanDerWaalsContact CZ2-O 3.24Å; W77-D83 WeakPolarHBondContact CZ2-O 3.45Å; D80-D83 PolarHBondContact O-N 2.79Å; D80-D83 VanDerWaalsContact O-N 3.09Å; I81-D83 PolarHBondContact O-N 3.04Å; D83-P85 WeakPolarHBondContact O-CD 3.29Å
84	C	86	Confident	87	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	34%	0.337	C	S	.	.			trans	-84.5	105.5	-179.2	-175.8	0	0	0	0	110.6	L74 W77 I81 Q86 F87 S88	L74-C84 HydrophobicContact CD2-CB 4.33Å; W77-C84 HydrophobicContact CD2-CB 3.74Å; W77-C84 HydrophobicContact CE3-CB 4.32Å; W77-C84 HydrophobicContact CG-CB 3.97Å; W77-C84 HydrophobicContact CZ2-CB 4.05Å; I81-C84 WeakPolarHBondContact O-CB 3.38Å; I81-C84 PolarHBondContact O-N 3.3Å; I81-C84 VanDerWaalsContact O-N 3.16Å; C84-Q86 PolarHBondContact O-N 3.03Å; C84-Q86 VanDerWaalsContact O-N 3.17Å; C84-Q86 PolarHBondContact SG-OE1 3.48Å; C84-Q86 VanDerWaalsContact SG-OE1 3.37Å; C84-F87 HydrophobicContact CB-CB 3.88Å; C84-F87 PolarHBondContact O-N 3.03Å; C84-S88 PolarHBondContact O-N 3.37Å
85	P	79.3	Confident	87.4	Confident	83 Å²	83	60.6 Å²	60.6	54%	0.539	33%	0.334	S	S	.	.	H	α-helix	trans	-63.1	-31.4	-174.7	-22.6	35.9	0	0	0	112.4	D83 F87 S88	D83-P85 WeakPolarHBondContact O-CD 3.29Å; P85-F87 VanDerWaalsContact C-N 3.25Å; P85-F87 PolarHBondContact O-N 3.4Å; P85-S88 WeakPolarHBondContact O-CB 3.37Å; P85-S88 PolarHBondContact O-OG 3.26Å
86	Q	81.5	Confident	88.1	Confident	107 Å²	107	62.3 Å²	62.3	50%	0.5	33%	0.329	S	S	.	.	H	α-helix	trans	-71.2	-23.4	179.4	-58.8	79.4	8.5	0	0	112.2	T73 C84 S89	T73-Q86 HydrophobicContact CG2-CB 4.16Å; C84-Q86 PolarHBondContact O-N 3.03Å; C84-Q86 VanDerWaalsContact O-N 3.17Å; C84-Q86 PolarHBondContact SG-OE1 3.48Å; C84-Q86 VanDerWaalsContact SG-OE1 3.37Å; Q86-S89 PolarHBondContact O-OG 3.06Å
87	F	85.3	Confident	89	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-90.6	-20.8	-178.7	-160.5	-103.1	0	0	0	113.5	Y57 F61 F71 L74 I81 C84 P85 S89 Q90 A91	Y57-F87 AromaticContact CD1-CE1 3.87Å; Y57-F87 HydrophobicContact CD1-CE1 3.87Å; Y57-F87 AromaticContact CD1-CZ 3.46Å; Y57-F87 HydrophobicContact CD1-CZ 3.46Å; Y57-F87 VanDerWaalsContact CD1-CZ 3.46Å; Y57-F87 AromaticContact CD2-CE1 3.63Å; Y57-F87 HydrophobicContact CD2-CE1 3.63Å; Y57-F87 AromaticContact CD2-CZ 3.89Å; Y57-F87 HydrophobicContact CD2-CZ 3.89Å; Y57-F87 HydrophobicContact CE1-CE1 4.43Å; Y57-F87 AromaticContact CE1-CZ 3.72Å; Y57-F87 HydrophobicContact CE1-CZ 3.72Å; Y57-F87 HydrophobicContact CE2-CE1 4.23Å; Y57-F87 HydrophobicContact CE2-CZ 4.14Å; Y57-F87 AromaticContact CG-CE1 3.43Å; Y57-F87 HydrophobicContact CG-CE1 3.43Å; Y57-F87 VanDerWaalsContact CG-CE1 3.43Å; Y57-F87 AromaticContact CG-CZ 3.54Å; Y57-F87 HydrophobicContact CG-CZ 3.54Å; F61-F87 HydrophobicContact CE2-CE1 4.08Å; F61-F87 HydrophobicContact CE2-CE2 4.35Å; F61-F87 AromaticContact CE2-CZ 3.69Å; F61-F87 HydrophobicContact CE2-CZ 3.69Å; F61-F87 HydrophobicContact CZ-CE2 4.26Å; F61-F87 AromaticContact CZ-CZ 3.77Å; F61-F87 HydrophobicContact CZ-CZ 3.77Å; F71-F87 HydrophobicContact CB-CE2 4.09Å; F71-F87 AromaticContact CD1-CE2 3.65Å; F71-F87 HydrophobicContact CD1-CE2 3.65Å; F71-F87 HydrophobicContact CD1-CZ 4.46Å; F71-F87 HydrophobicContact CD2-CE2 4.29Å; F71-F87 HydrophobicContact CE1-CE2 4.14Å; F71-F87 AromaticContact CG-CE2 3.73Å; F71-F87 HydrophobicContact CG-CE2 3.73Å; L74-F87 HydrophobicContact CD1-CD2 3.77Å; L74-F87 HydrophobicContact CD1-CE2 3.65Å; L74-F87 HydrophobicContact CD1-CG 4.38Å; L74-F87 HydrophobicContact CD1-CZ 4.18Å; L74-F87 HydrophobicContact CD2-CB 3.99Å; L74-F87 HydrophobicContact CD2-CD2 3.83Å; L74-F87 HydrophobicContact CD2-CG 3.94Å; L74-F87 HydrophobicContact CG-CD2 3.74Å; L74-F87 HydrophobicContact CG-CE2 4.1Å; L74-F87 HydrophobicContact CG-CG 4.35Å; I81-F87 HydrophobicContact CB-CD1 3.98Å; I81-F87 HydrophobicContact CB-CE1 4.38Å; I81-F87 HydrophobicContact CD1-CD1 4.26Å; I81-F87 HydrophobicContact CD1-CE1 3.91Å; I81-F87 HydrophobicContact CG1-CD1 4.49Å; C84-F87 HydrophobicContact CB-CB 3.88Å; C84-F87 PolarHBondContact O-N 3.03Å; P85-F87 VanDerWaalsContact C-N 3.25Å; P85-F87 PolarHBondContact O-N 3.4Å; F87-S89 VanDerWaalsContact C-N 3.26Å; F87-S89 PolarHBondContact O-N 3.19Å; F87-Q90 HydrophobicContact CD2-CB 4.26Å; F87-Q90 HydrophobicContact CE2-CB 4.18Å; F87-Q90 HydrophobicContact CE2-CG 4.08Å; F87-Q90 HydrophobicContact CZ-CG 4.32Å; F87-Q90 WeakPolarHBondContact O-CA 3.32Å; F87-Q90 WeakPolarHBondContact O-CB 3.39Å; F87-Q90 PolarHBondContact O-N 3.49Å; F87-A91 PolarHBondContact O-N 2.92Å
88	S	85.2	Confident	89.5	Confident	32 Å²	32	52 Å²	52	22%	0.224	28%	0.281	C	S	.	.	H	α-helix	trans	-47.9	-46.5	174.7	65.7	0	0	0	0	113.3	C84 P85 Q90 A91 L92	C84-S88 PolarHBondContact O-N 3.37Å; P85-S88 WeakPolarHBondContact O-CB 3.37Å; P85-S88 PolarHBondContact O-OG 3.26Å; S88-Q90 PolarHBondContact O-N 2.74Å; S88-A91 WeakPolarHBondContact O-CB 3.28Å; S88-A91 PolarHBondContact O-N 3.48Å; S88-L92 WeakPolarHBondContact O-CG 3.4Å; S88-L92 PolarHBondContact O-N 3.46Å
89	S	89.1	Confident	90.2	Very high	58 Å²	58	47.2 Å²	47.2	41%	0.406	25%	0.25	S	S	.	.	H	α-helix	trans	-61.7	-33	179.9	70.5	0	0	0	0	112.7	Q86 F87 K93	Q86-S89 PolarHBondContact O-OG 3.06Å; F87-S89 VanDerWaalsContact C-N 3.26Å; F87-S89 PolarHBondContact O-N 3.19Å; S89-K93 VanDerWaalsContact O-CG 3.32Å; S89-K93 WeakPolarHBondContact O-CG 3.48Å; S89-K93 PolarHBondContact O-N 3.39Å
90	Q	92.5	Very high	90.7	Very high	51 Å²	51	48 Å²	48	24%	0.238	25%	0.246	C	C	.	.	H	α-helix	trans	-78.6	-37.6	179.9	-173.6	56.8	31.3	0	0	111.4	Y57 F71 F87 S88 L92 K93 F94	Y57-Q90 HydrophobicContact CE2-CG 4.17Å; Y57-Q90 WeakPolarHBondContact CE2-O 3.28Å; Y57-Q90 WeakPolarHBondContact OH-CG 3.22Å; Y57-Q90 PolarHBondContact OH-NE2 3.17Å; F71-Q90 HydrophobicContact CD1-CG 4.11Å; F71-Q90 HydrophobicContact CE1-CG 3.74Å; F87-Q90 HydrophobicContact CD2-CB 4.26Å; F87-Q90 HydrophobicContact CE2-CB 4.18Å; F87-Q90 HydrophobicContact CE2-CG 4.08Å; F87-Q90 HydrophobicContact CZ-CG 4.32Å; F87-Q90 WeakPolarHBondContact O-CA 3.32Å; F87-Q90 WeakPolarHBondContact O-CB 3.39Å; F87-Q90 PolarHBondContact O-N 3.49Å; S88-Q90 PolarHBondContact O-N 2.74Å; Q90-L92 VanDerWaalsContact C-N 3.35Å; Q90-K93 PolarHBondContact O-N 3.36Å; Q90-F94 PolarHBondContact O-N 3.48Å
91	A	93	Very high	91.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-56.9	-47.5	168.3	0	0	0	0	0	111.5	T54 Y57 F87 S88 K93 F94 V95	T54-A91 HydrophobicContact CG2-CB 3.78Å; Y57-A91 HydrophobicContact CD2-CB 4.18Å; F87-A91 PolarHBondContact O-N 2.92Å; S88-A91 WeakPolarHBondContact O-CB 3.28Å; S88-A91 PolarHBondContact O-N 3.48Å; A91-K93 PolarHBondContact O-N 2.85Å; A91-F94 WeakPolarHBondContact O-CB 3.41Å; A91-F94 PolarHBondContact O-N 2.83Å; A91-F94 VanDerWaalsContact O-N 3.11Å; A91-V95 PolarHBondContact O-N 3.04Å
92	L	94.4	Very high	91.8	Very high	35 Å²	35	45.8 Å²	45.8	18%	0.183	24%	0.235	C	C	.	.	H	α-helix	trans	-64.4	-38.7	178.4	-70.3	171.9	0	0	0	112.9	F46 L49 S88 Q90 F94 V95 Q96	F46-L92 HydrophobicContact CE2-CD1 3.84Å; F46-L92 HydrophobicContact CE2-CD2 4.4Å; F46-L92 HydrophobicContact CZ-CD1 4.48Å; L49-L92 HydrophobicContact CB-CD2 4.35Å; S88-L92 WeakPolarHBondContact O-CG 3.4Å; S88-L92 PolarHBondContact O-N 3.46Å; Q90-L92 VanDerWaalsContact C-N 3.35Å; L92-F94 PolarHBondContact O-N 3.33Å; L92-V95 HydrophobicContact CD2-CG2 4.4Å; L92-V95 WeakPolarHBondContact O-CG2 3.28Å; L92-V95 PolarHBondContact O-N 3.48Å; L92-Q96 WeakPolarHBondContact O-CB 3.2Å; L92-Q96 WeakPolarHBondContact O-CG 3.36Å; L92-Q96 PolarHBondContact O-N 3.48Å
93	K	95.2	Very high	92.3	Very high	110 Å²	110	47.6 Å²	47.6	48%	0.478	24%	0.241	S	C	.	.	H	α-helix	trans	-59.5	-34	173.3	-76.6	170.1	-172.2	171.2	0	112.5	S89 Q90 A91 V97	S89-K93 VanDerWaalsContact O-CG 3.32Å; S89-K93 WeakPolarHBondContact O-CG 3.48Å; S89-K93 PolarHBondContact O-N 3.39Å; Q90-K93 PolarHBondContact O-N 3.36Å; A91-K93 PolarHBondContact O-N 2.85Å; K93-V97 PolarHBondContact O-N 3.17Å
94	F	96.2	Very high	92.8	Very high	26 Å²	26	45.1 Å²	45.1	11%	0.114	22%	0.224	C	C	.	.	H	α-helix	trans	-66.3	-51.7	179	-158.2	-64.6	0	0	0	110.8	I56 Y57 I60 Q90 A91 L92 Q96 V97 I98 I142	I56-F94 HydrophobicContact CD1-CD1 4.25Å; I56-F94 HydrophobicContact CD1-CE1 4.33Å; I56-F94 HydrophobicContact CG2-CD1 4.17Å; I56-F94 HydrophobicContact CG2-CD2 4.43Å; I56-F94 HydrophobicContact CG2-CE1 3.9Å; I56-F94 HydrophobicContact CG2-CE2 4.14Å; I56-F94 HydrophobicContact CG2-CG 4.45Å; I56-F94 HydrophobicContact CG2-CZ 3.87Å; Y57-F94 HydrophobicContact CE1-CD2 4.5Å; Y57-F94 HydrophobicContact CE2-CB 3.89Å; Y57-F94 AromaticContact CE2-CD2 3.88Å; Y57-F94 HydrophobicContact CE2-CD2 3.88Å; Y57-F94 HydrophobicContact CE2-CG 4.27Å; Y57-F94 AromaticContact CZ-CD2 3.79Å; I60-F94 HydrophobicContact CD1-CE2 3.95Å; I60-F94 HydrophobicContact CD1-CZ 4.46Å; Q90-F94 PolarHBondContact O-N 3.48Å; A91-F94 WeakPolarHBondContact O-CB 3.41Å; A91-F94 PolarHBondContact O-N 2.83Å; A91-F94 VanDerWaalsContact O-N 3.11Å; L92-F94 PolarHBondContact O-N 3.33Å; F94-Q96 VanDerWaalsContact C-N 3.28Å; F94-Q96 PolarHBondContact O-N 3.39Å; F94-V97 WeakPolarHBondContact O-CB 3.41Å; F94-V97 PolarHBondContact O-N 2.97Å; F94-V97 VanDerWaalsContact O-N 3.08Å; F94-I98 HydrophobicContact CD1-CD1 4.32Å; F94-I98 HydrophobicContact CE1-CD1 4.41Å; F94-I142 HydrophobicContact CE1-CD1 3.67Å; F94-I142 HydrophobicContact CE1-CG1 3.64Å; F94-I142 HydrophobicContact CZ-CD1 3.86Å; F94-I142 HydrophobicContact CZ-CG1 3.95Å
95	V	97.3	Very high	93.2	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.006	23%	0.228	C	C	.	.	H	α-helix	trans	-67.8	-27.9	178.9	-65.5	0	0	0	0	112.6	W42 L49 L52 A91 L92 V97 I98 S99	W42-V95 HydrophobicContact CH2-CB 4.47Å; L49-V95 HydrophobicContact CB-CG2 4.06Å; L49-V95 HydrophobicContact CD2-CB 4.26Å; L49-V95 HydrophobicContact CD2-CG2 4.26Å; L52-V95 HydrophobicContact CB-CG1 4.01Å; L52-V95 HydrophobicContact CD2-CG1 3.92Å; L52-V95 HydrophobicContact CG-CG1 3.8Å; A91-V95 PolarHBondContact O-N 3.04Å; L92-V95 HydrophobicContact CD2-CG2 4.4Å; L92-V95 WeakPolarHBondContact O-CG2 3.28Å; L92-V95 PolarHBondContact O-N 3.48Å; V95-V97 VanDerWaalsContact C-N 3.25Å; V95-V97 PolarHBondContact O-N 2.91Å; V95-I98 WeakPolarHBondContact O-CA 3.43Å; V95-I98 WeakPolarHBondContact O-CB 3.22Å; V95-I98 PolarHBondContact O-N 3.08Å; V95-S99 PolarHBondContact O-N 3.43Å; V95-S99 PolarHBondContact O-OG 3.42Å; V95-S99 VanDerWaalsContact O-OG 3.08Å
96	Q	97.5	Very high	93.8	Very high	113 Å²	113	47.2 Å²	47.2	53%	0.528	23%	0.23	S	C	.	.	H	α-helix	trans	-58.8	-35.9	170.3	-78.1	172.1	-4.5	0	0	112.6	L92 F94 I98 S99 L100	L92-Q96 WeakPolarHBondContact O-CB 3.2Å; L92-Q96 WeakPolarHBondContact O-CG 3.36Å; L92-Q96 PolarHBondContact O-N 3.48Å; F94-Q96 VanDerWaalsContact C-N 3.28Å; F94-Q96 PolarHBondContact O-N 3.39Å; Q96-I98 VanDerWaalsContact C-N 3.3Å; Q96-S99 PolarHBondContact O-N 3.35Å; Q96-L100 WeakPolarHBondContact O-CB 3.3Å; Q96-L100 VanDerWaalsContact O-CG 3.25Å; Q96-L100 WeakPolarHBondContact O-CG 3.26Å; Q96-L100 PolarHBondContact O-N 2.98Å
97	V	98.4	Very high	94.4	Very high	24 Å²	24	47.9 Å²	47.9	15%	0.145	23%	0.228	C	C	.	.	H	α-helix	trans	-63.4	-40.9	174	177.9	0	0	0	0	110.4	K93 F94 V95 L100 A101 L115 I118 I175	K93-V97 PolarHBondContact O-N 3.17Å; F94-V97 WeakPolarHBondContact O-CB 3.41Å; F94-V97 PolarHBondContact O-N 2.97Å; F94-V97 VanDerWaalsContact O-N 3.08Å; V95-V97 VanDerWaalsContact C-N 3.25Å; V95-V97 PolarHBondContact O-N 2.91Å; V97-L100 PolarHBondContact O-N 3.26Å; V97-A101 WeakPolarHBondContact O-CB 3.38Å; V97-A101 PolarHBondContact O-N 3.23Å; V97-L115 HydrophobicContact CG1-CD2 3.77Å; V97-I118 HydrophobicContact CG1-CD1 4.08Å; V97-I118 HydrophobicContact CG2-CD1 3.76Å; V97-I175 HydrophobicContact CG1-CG2 4.27Å
98	I	98.4	Very high	94.7	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-65.9	-45.5	177.2	-56	177.7	0	0	0	110.6	W42 I56 F94 V95 Q96 L100 A101 L102 I142 M146 W168 I175	W42-I98 HydrophobicContact CH2-CB 4.22Å; W42-I98 HydrophobicContact CH2-CG2 3.97Å; W42-I98 HydrophobicContact CZ3-CG2 3.95Å; I56-I98 HydrophobicContact CD1-CD1 4.05Å; F94-I98 HydrophobicContact CD1-CD1 4.32Å; F94-I98 HydrophobicContact CE1-CD1 4.41Å; V95-I98 WeakPolarHBondContact O-CA 3.43Å; V95-I98 WeakPolarHBondContact O-CB 3.22Å; V95-I98 PolarHBondContact O-N 3.08Å; Q96-I98 VanDerWaalsContact C-N 3.3Å; I98-L100 VanDerWaalsContact C-N 3.32Å; I98-L100 PolarHBondContact O-N 2.94Å; I98-A101 WeakPolarHBondContact O-CB 3.39Å; I98-A101 PolarHBondContact O-N 3.39Å; I98-A101 VanDerWaalsContact O-N 3.11Å; I98-L102 PolarHBondContact O-N 3.49Å; I98-I142 HydrophobicContact CD1-CG2 4.35Å; I98-M146 HydrophobicContact CD1-CE 3.9Å; I98-M146 HydrophobicContact CG2-CE 3.85Å; I98-W168 HydrophobicContact CG2-CH2 3.9Å; I98-W168 HydrophobicContact CG2-CZ3 3.44Å; I98-W168 VanDerWaalsContact CG2-CZ3 3.44Å; I98-I175 HydrophobicContact CG1-CD1 4.47Å
99	S	97.7	Very high	95.1	Very high	27 Å²	27	52.7 Å²	52.7	19%	0.189	25%	0.253	C	S	.	.	H	α-helix	trans	-58.9	-43	175.4	-49.4	0	0	0	0	112.2	W42 V95 Q96 A101 L102 R103	W42-S99 VanDerWaalsContact CZ2-OG 3.23Å; W42-S99 WeakPolarHBondContact CZ2-OG 2.98Å; V95-S99 PolarHBondContact O-N 3.43Å; V95-S99 PolarHBondContact O-OG 3.42Å; V95-S99 VanDerWaalsContact O-OG 3.08Å; Q96-S99 PolarHBondContact O-N 3.35Å; S99-A101 VanDerWaalsContact C-N 3.31Å; S99-L102 PolarHBondContact O-N 2.93Å; S99-R103 WeakPolarHBondContact O-CB 3.46Å; S99-R103 PolarHBondContact O-N 3.26Å
100	L	96.9	Very high	95.3	Very high	50 Å²	50	55.4 Å²	55.4	26%	0.262	26%	0.258	S	S	.	.	H	α-helix	trans	-68.7	-33.3	177.5	-71.6	172.4	0	0	0	111.5	Q96 V97 I98 R103 Y104 M114	Q96-L100 WeakPolarHBondContact O-CB 3.3Å; Q96-L100 VanDerWaalsContact O-CG 3.25Å; Q96-L100 WeakPolarHBondContact O-CG 3.26Å; Q96-L100 PolarHBondContact O-N 2.98Å; V97-L100 PolarHBondContact O-N 3.26Å; I98-L100 VanDerWaalsContact C-N 3.32Å; I98-L100 PolarHBondContact O-N 2.94Å; L100-R103 PolarHBondContact O-N 3.29Å; L100-Y104 HydrophobicContact CD2-CE2 4.21Å; L100-Y104 VanDerWaalsContact O-CD2 3.24Å; L100-Y104 WeakPolarHBondContact O-CD2 3.26Å; L100-Y104 PolarHBondContact O-N 3.33Å; L100-Y104 VanDerWaalsContact O-N 3.08Å; L100-M114 HydrophobicContact CB-CE 3.55Å; L100-M114 HydrophobicContact CB-SD 4.07Å; L100-M114 HydrophobicContact CD1-CE 4.45Å; L100-M114 HydrophobicContact CD1-SD 4.13Å
101	A	97.5	Very high	95.5	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.5	-45.6	174.4	0	0	0	0	0	111.9	V97 I98 S99 R103 Y104 L105 L111 L171 I175	V97-A101 WeakPolarHBondContact O-CB 3.38Å; V97-A101 PolarHBondContact O-N 3.23Å; I98-A101 WeakPolarHBondContact O-CB 3.39Å; I98-A101 PolarHBondContact O-N 3.39Å; I98-A101 VanDerWaalsContact O-N 3.11Å; S99-A101 VanDerWaalsContact C-N 3.31Å; A101-R103 VanDerWaalsContact C-N 3.34Å; A101-R103 PolarHBondContact O-N 2.99Å; A101-Y104 PolarHBondContact O-N 3Å; A101-L105 PolarHBondContact O-N 2.89Å; A101-L111 HydrophobicContact CB-CD1 3.89Å; A101-L171 HydrophobicContact CB-CD1 4.12Å; A101-I175 HydrophobicContact CB-CD1 3.56Å; A101-I175 HydrophobicContact CB-CG1 3.78Å
102	L	96.9	Very high	95.7	Very high	6 Å²	6	53.1 Å²	53.1	3%	0.031	25%	0.247	C	C	.	.	H	α-helix	trans	-56.9	-47.1	171.3	-73.3	177.3	0	0	0	112	L38 F39 W42 I98 S99 Y104 L105 W168 L171	L38-L102 HydrophobicContact CB-CD2 3.76Å; L38-L102 HydrophobicContact CD1-CD2 4.16Å; L38-L102 HydrophobicContact CG-CD2 4.42Å; F39-L102 HydrophobicContact CE1-CB 4.36Å; W42-L102 HydrophobicContact CB-CD1 3.78Å; W42-L102 HydrophobicContact CD2-CD1 3.57Å; W42-L102 HydrophobicContact CE3-CD1 4.17Å; W42-L102 HydrophobicContact CG-CD1 3.38Å; I98-L102 PolarHBondContact O-N 3.49Å; S99-L102 PolarHBondContact O-N 2.93Å; L102-Y104 PolarHBondContact O-N 3.43Å; L102-L105 HydrophobicContact CD2-CD1 4.04Å; L102-L105 WeakPolarHBondContact O-CG 3.33Å; L102-L105 PolarHBondContact O-N 2.88Å; L102-W168 HydrophobicContact CD1-CH2 3.73Å; L102-W168 HydrophobicContact CD1-CZ2 4.4Å; L102-W168 HydrophobicContact CD2-CH2 4.09Å; L102-W168 HydrophobicContact CD2-CZ3 4.45Å; L102-W168 HydrophobicContact CG-CH2 4.11Å; L102-L171 HydrophobicContact CD2-CD2 3.61Å; L102-L171 HydrophobicContact CG-CD2 4.11Å
103	R	95.1	Very high	95.8	Very high	163 Å²	163	55.8 Å²	55.8	62%	0.615	26%	0.261	S	S	*	.	H	α-helix	trans	-61.5	-30	-178.2	-175.1	-178	-63.4	173.7	0.2	113.6	S99 L100 A101	S99-R103 WeakPolarHBondContact O-CB 3.46Å; S99-R103 PolarHBondContact O-N 3.26Å; L100-R103 PolarHBondContact O-N 3.29Å; A101-R103 VanDerWaalsContact C-N 3.34Å; A101-R103 PolarHBondContact O-N 2.99Å
104	Y	95.4	Very high	95.9	Very high	60 Å²	60	52.2 Å²	52.2	24%	0.235	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	18.9	-177.3	-62.3	-49.2	0	0	0	113.6	L100 A101 L102 D106 R107 M114	L100-Y104 HydrophobicContact CD2-CE2 4.21Å; L100-Y104 VanDerWaalsContact O-CD2 3.24Å; L100-Y104 WeakPolarHBondContact O-CD2 3.26Å; L100-Y104 PolarHBondContact O-N 3.33Å; L100-Y104 VanDerWaalsContact O-N 3.08Å; A101-Y104 PolarHBondContact O-N 3Å; L102-Y104 PolarHBondContact O-N 3.43Å; Y104-D106 PolarHBondContact O-N 2.96Å; Y104-R107 HydrophobicContact CD1-CB 4.46Å; Y104-R107 CarbonylContact O-C 3.58Å; Y104-R107 PolarHBondContact O-N 3.35Å; Y104-M114 HydrophobicContact CD2-CE 3.41Å; Y104-M114 VanDerWaalsContact CD2-CE 3.41Å; Y104-M114 HydrophobicContact CE2-CE 3.75Å
105	L	93.9	Very high	96	Very high	15 Å²	15	51 Å²	51	8%	0.079	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-27.3	174.6	-79.5	175.8	0	0	0	113.3	V28 L30 L38 F39 A101 L102 L171	V28-L105 HydrophobicContact CB-CD2 4.27Å; V28-L105 HydrophobicContact CG1-CD2 4.33Å; V28-L105 HydrophobicContact CG2-CD2 4.14Å; L30-L105 HydrophobicContact CD1-CD2 4.13Å; L38-L105 HydrophobicContact CD1-CD1 4Å; F39-L105 HydrophobicContact CE2-CD1 4.12Å; F39-L105 HydrophobicContact CZ-CD1 4.11Å; A101-L105 PolarHBondContact O-N 2.89Å; L102-L105 HydrophobicContact CD2-CD1 4.04Å; L102-L105 WeakPolarHBondContact O-CG 3.33Å; L102-L105 PolarHBondContact O-N 2.88Å; L105-L171 HydrophobicContact CD2-CD1 3.9Å
106	D	92	Very high	96	Very high	111 Å²	111	53.9 Å²	53.9	59%	0.594	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-5.9	176.3	69.7	-32.6	0	0	0	113.4	Y104	Y104-D106 PolarHBondContact O-N 2.96Å
107	R	93.9	Very high	96.1	Very high	121 Å²	121	52.7 Å²	52.7	46%	0.457	25%	0.25	S	C	.	.			trans	-131.2	68.2	-174.5	-65.1	172.2	-165.6	-169.9	-5.7	110.1	Y104 D109 K110 L111	Y104-R107 HydrophobicContact CD1-CB 4.46Å; Y104-R107 CarbonylContact O-C 3.58Å; Y104-R107 PolarHBondContact O-N 3.35Å; R107-D109 VanDerWaalsContact C-N 3.28Å; R107-D109 PolarHBondContact O-N 2.9Å; R107-K110 HydrophobicContact CB-CB 4.16Å; R107-K110 HydrophobicContact CB-CD 4.4Å; R107-K110 HydrophobicContact CB-CG 4.42Å; R107-K110 PolarHBondContact O-N 2.89Å; R107-K110 VanDerWaalsContact O-N 3.09Å; R107-L111 PolarHBondContact O-N 3.33Å
108	P	92.2	Very high	96.1	Very high	30 Å²	30	53.3 Å²	53.3	20%	0.195	25%	0.252	C	S	.	.	H	α-helix	trans	-56.4	-38.4	-170.8	22.8	-35	0	0	0	113.1	M27 L111 N112	M27-P108 HydrophobicContact CE-CG 4.28Å; M27-P108 HydrophobicContact CG-CB 4.06Å; M27-P108 HydrophobicContact CG-CG 4.18Å; P108-L111 PolarHBondContact O-N 2.68Å; P108-N112 WeakPolarHBondContact O-CB 3.49Å; P108-N112 PolarHBondContact O-N 3.23Å; P108-N112 PolarHBondContact O-ND2 2.94Å; P108-N112 VanDerWaalsContact O-ND2 3.17Å; P108-N112 PolarHBondContact O-OD1 3.41Å
109	D	93.2	Very high	96.1	Very high	103 Å²	103	53.2 Å²	53.2	55%	0.551	25%	0.251	S	S	*	.	H	α-helix	trans	-63.1	-46.9	178.6	-62	-31.3	0	0	0	112	R107 L111 N112 D113	R107-D109 VanDerWaalsContact C-N 3.28Å; R107-D109 PolarHBondContact O-N 2.9Å; D109-L111 VanDerWaalsContact C-N 3.34Å; D109-L111 PolarHBondContact O-N 3.41Å; D109-N112 PolarHBondContact O-N 2.9Å; D109-D113 WeakPolarHBondContact O-CB 3.31Å; D109-D113 PolarHBondContact O-N 3.27Å
110	K	94.8	Very high	96.1	Very high	116 Å²	116	54.3 Å²	54.3	50%	0.504	25%	0.254	S	S	.	.	H	α-helix	trans	-64.3	-40.5	177.5	-67.3	-170.4	-178.3	179.5	0	111.6	R107 M114	R107-K110 HydrophobicContact CB-CB 4.16Å; R107-K110 HydrophobicContact CB-CD 4.4Å; R107-K110 HydrophobicContact CB-CG 4.42Å; R107-K110 PolarHBondContact O-N 2.89Å; R107-K110 VanDerWaalsContact O-N 3.09Å; K110-M114 WeakPolarHBondContact O-CB 3.34Å; K110-M114 PolarHBondContact O-N 3.5Å; K110-M114 VanDerWaalsContact O-N 3.12Å
111	L	96.1	Very high	96	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.7	-52	175.6	176.8	51.3	0	0	0	110.8	V28 A101 R107 P108 D109 D113 M114 L115	V28-L111 HydrophobicContact CG2-CD2 3.97Å; A101-L111 HydrophobicContact CB-CD1 3.89Å; R107-L111 PolarHBondContact O-N 3.33Å; P108-L111 PolarHBondContact O-N 2.68Å; D109-L111 VanDerWaalsContact C-N 3.34Å; D109-L111 PolarHBondContact O-N 3.41Å; L111-D113 PolarHBondContact O-N 2.88Å; L111-M114 HydrophobicContact CD1-CE 3.97Å; L111-M114 PolarHBondContact O-N 3.5Å; L111-L115 HydrophobicContact CD1-CD1 3.54Å; L111-L115 HydrophobicContact CD1-CG 3.9Å; L111-L115 HydrophobicContact CG-CD1 3.8Å; L111-L115 WeakPolarHBondContact O-CB 3.28Å; L111-L115 VanDerWaalsContact O-CG 3.28Å; L111-L115 WeakPolarHBondContact O-CG 3.5Å; L111-L115 PolarHBondContact O-N 3.46Å
112	N	96.8	Very high	96	Very high	2 Å²	2	58 Å²	58	1%	0.011	27%	0.272	C	S	.	.	H	α-helix	trans	-63.6	-43.7	-177.5	-67.8	-19.5	0	0	0	112.1	N26 P108 D109 M114 L115 R116 H174 Q178	N26-N112 WeakPolarHBondContact CA-ND2 3.32Å; N26-N112 WeakPolarHBondContact CB-ND2 3.46Å; N26-N112 PolarHBondContact O-ND2 2.71Å; N26-N112 PolarHBondContact O-OD1 3.47Å; P108-N112 WeakPolarHBondContact O-CB 3.49Å; P108-N112 PolarHBondContact O-N 3.23Å; P108-N112 PolarHBondContact O-ND2 2.94Å; P108-N112 VanDerWaalsContact O-ND2 3.17Å; P108-N112 PolarHBondContact O-OD1 3.41Å; D109-N112 PolarHBondContact O-N 2.9Å; N112-M114 VanDerWaalsContact C-N 3.34Å; N112-M114 PolarHBondContact O-N 2.78Å; N112-L115 PolarHBondContact O-N 2.86Å; N112-R116 WeakPolarHBondContact O-CB 3.29Å; N112-R116 WeakPolarHBondContact O-CD 3.46Å; N112-R116 WeakPolarHBondContact O-CG 3.37Å; N112-R116 PolarHBondContact O-N 3.35Å; N112-H174 PolarHBondContact OD1-CE1 2.73Å; N112-H174 PolarHBondContact OD1-NE2 2.76Å; N112-Q178 WeakPolarHBondContact OD1-CG 3.31Å
113	D	96.5	Very high	95.9	Very high	91 Å²	91	58.5 Å²	58.5	49%	0.487	28%	0.276	S	S	.	.	H	α-helix	trans	-61.4	-44.8	178.6	-78	-14.5	0	0	0	111.4	D109 L111 R116 N117	D109-D113 WeakPolarHBondContact O-CB 3.31Å; D109-D113 PolarHBondContact O-N 3.27Å; L111-D113 PolarHBondContact O-N 2.88Å; D113-R116 PolarHBondContact O-N 2.99Å; D113-N117 VanDerWaalsContact O-CB 3.29Å; D113-N117 WeakPolarHBondContact O-CB 3.4Å; D113-N117 PolarHBondContact O-N 3.46Å; D113-N117 PolarHBondContact O-ND2 3.37Å
114	M	97.3	Very high	95.8	Very high	35 Å²	35	57.8 Å²	57.8	17%	0.172	28%	0.278	C	S	.	.	H	α-helix	trans	-61.7	-48.6	176.7	-178.7	-114.6	-54.2	0	0	111.8	L100 Y104 K110 L111 N112 N117 I118	L100-M114 HydrophobicContact CB-CE 3.55Å; L100-M114 HydrophobicContact CB-SD 4.07Å; L100-M114 HydrophobicContact CD1-CE 4.45Å; L100-M114 HydrophobicContact CD1-SD 4.13Å; Y104-M114 HydrophobicContact CD2-CE 3.41Å; Y104-M114 VanDerWaalsContact CD2-CE 3.41Å; Y104-M114 HydrophobicContact CE2-CE 3.75Å; K110-M114 WeakPolarHBondContact O-CB 3.34Å; K110-M114 PolarHBondContact O-N 3.5Å; K110-M114 VanDerWaalsContact O-N 3.12Å; L111-M114 HydrophobicContact CD1-CE 3.97Å; L111-M114 PolarHBondContact O-N 3.5Å; N112-M114 VanDerWaalsContact C-N 3.34Å; N112-M114 PolarHBondContact O-N 2.78Å; M114-N117 PolarHBondContact O-N 3.45Å; M114-I118 HydrophobicContact CG-CD1 4.39Å; M114-I118 WeakPolarHBondContact O-CG1 3.39Å; M114-I118 PolarHBondContact O-N 3.19Å; M114-I118 HydrophobicContact SD-CD1 3.96Å
115	L	98.4	Very high	95.7	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-63.1	-44.2	178.5	-69.2	170.2	0	0	0	112.2	V97 L111 N112 N117 I118 G119 I175 Q178 M179	V97-L115 HydrophobicContact CG1-CD2 3.77Å; L111-L115 HydrophobicContact CD1-CD1 3.54Å; L111-L115 HydrophobicContact CD1-CG 3.9Å; L111-L115 HydrophobicContact CG-CD1 3.8Å; L111-L115 WeakPolarHBondContact O-CB 3.28Å; L111-L115 VanDerWaalsContact O-CG 3.28Å; L111-L115 WeakPolarHBondContact O-CG 3.5Å; L111-L115 PolarHBondContact O-N 3.46Å; N112-L115 PolarHBondContact O-N 2.86Å; L115-N117 VanDerWaalsContact C-N 3.29Å; L115-N117 PolarHBondContact O-N 2.9Å; L115-I118 PolarHBondContact O-N 3.42Å; L115-G119 PolarHBondContact O-N 3Å; L115-I175 HydrophobicContact CD1-CG1 4.36Å; L115-I175 HydrophobicContact CD2-CB 4.28Å; L115-I175 HydrophobicContact CD2-CG1 4.23Å; L115-I175 HydrophobicContact CD2-CG2 3.85Å; L115-Q178 HydrophobicContact CB-CB 3.68Å; L115-Q178 HydrophobicContact CD1-CB 3.91Å; L115-Q178 HydrophobicContact CD1-CG 4.22Å; L115-Q178 HydrophobicContact CG-CB 4.47Å; L115-M179 HydrophobicContact CB-CG 4.18Å; L115-M179 HydrophobicContact CD2-CG 4.13Å; L115-M179 HydrophobicContact CD2-SD 4.38Å; L115-M179 WeakPolarHBondContact O-CG 3.41Å
116	R	98.2	Very high	95.7	Very high	62 Å²	62	59.3 Å²	59.3	23%	0.234	29%	0.285	C	S	.	.	H	α-helix	trans	-64.5	-34.8	176.6	-70.9	165.5	-175.3	175.8	1.2	111.3	N26 N112 D113 G119 Q120 Q178 H181 G182	N26-R116 PolarHBondContact OD1-NH2 3.22Å; N112-R116 WeakPolarHBondContact O-CB 3.29Å; N112-R116 WeakPolarHBondContact O-CD 3.46Å; N112-R116 WeakPolarHBondContact O-CG 3.37Å; N112-R116 PolarHBondContact O-N 3.35Å; D113-R116 PolarHBondContact O-N 2.99Å; R116-G119 PolarHBondContact O-N 3.09Å; R116-Q120 VanDerWaalsContact O-CG 3.27Å; R116-Q120 WeakPolarHBondContact O-CG 3.3Å; R116-Q120 PolarHBondContact O-N 3.12Å; R116-Q120 PolarHBondContact O-NE2 3.48Å; R116-Q178 HydrophobicContact CG-CB 4.34Å; R116-Q178 VanDerWaalsContact CG-O 3.26Å; R116-Q178 WeakPolarHBondContact CG-O 3.32Å; R116-Q178 VanDerWaalsContact CZ-OE1 3.28Å; R116-H181 HydrophobicContact CG-CB 4.49Å; R116-G182 VanDerWaalsContact O-CA 3.28Å; R116-G182 WeakPolarHBondContact O-CA 3.47Å
117	N	98	Very high	95.6	Very high	88 Å²	88	61.4 Å²	61.4	47%	0.471	29%	0.291	S	S	.	.	H	α-helix	trans	-66.6	-42.1	174.9	-73.1	-19.9	0	0	0	111.4	D113 M114 L115 G119 Q120 L121	D113-N117 VanDerWaalsContact O-CB 3.29Å; D113-N117 WeakPolarHBondContact O-CB 3.4Å; D113-N117 PolarHBondContact O-N 3.46Å; D113-N117 PolarHBondContact O-ND2 3.37Å; M114-N117 PolarHBondContact O-N 3.45Å; L115-N117 VanDerWaalsContact C-N 3.29Å; L115-N117 PolarHBondContact O-N 2.9Å; N117-G119 VanDerWaalsContact C-N 3.32Å; N117-G119 PolarHBondContact O-N 3.25Å; N117-Q120 PolarHBondContact O-N 2.86Å; N117-Q120 PolarHBondContact OD1-NE2 3.2Å; N117-L121 WeakPolarHBondContact O-CG 3.43Å; N117-L121 PolarHBondContact O-N 2.95Å
118	I	98.4	Very high	95.5	Very high	37 Å²	37	60.5 Å²	60.5	19%	0.19	29%	0.288	C	S	.	.	H	α-helix	trans	-62.7	-42.1	173.9	-60.9	161	0	0	0	110.7	V97 M114 L115 Q120 L121 H122 M179	V97-I118 HydrophobicContact CG1-CD1 4.08Å; V97-I118 HydrophobicContact CG2-CD1 3.76Å; M114-I118 HydrophobicContact CG-CD1 4.39Å; M114-I118 WeakPolarHBondContact O-CG1 3.39Å; M114-I118 PolarHBondContact O-N 3.19Å; M114-I118 HydrophobicContact SD-CD1 3.96Å; L115-I118 PolarHBondContact O-N 3.42Å; I118-Q120 PolarHBondContact O-N 3.36Å; I118-L121 WeakPolarHBondContact O-CB 3.33Å; I118-L121 PolarHBondContact O-N 3.04Å; I118-H122 PolarHBondContact O-N 3.08Å; I118-H122 VanDerWaalsContact O-N 3.16Å; I118-H122 PolarHBondContact O-ND1 3.28Å; I118-M179 HydrophobicContact CB-CE 4.29Å; I118-M179 HydrophobicContact CG2-CE 3.5Å
119	G	98.3	Very high	95.5	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-57.1	-45.3	173.6	0	0	0	0	0	113.6	L115 R116 N117 L121 H122 M179 Y183	L115-G119 PolarHBondContact O-N 3Å; R116-G119 PolarHBondContact O-N 3.09Å; N117-G119 VanDerWaalsContact C-N 3.32Å; N117-G119 PolarHBondContact O-N 3.25Å; G119-L121 VanDerWaalsContact C-N 3.32Å; G119-L121 PolarHBondContact O-N 2.89Å; G119-H122 WeakPolarHBondContact O-CB 3.18Å; G119-H122 PolarHBondContact O-N 3.39Å; G119-H122 VanDerWaalsContact O-N 3.16Å; G119-M179 WeakPolarHBondContact CA-O 3.35Å; G119-Y183 VanDerWaalsContact O-CA 3.29Å; G119-Y183 WeakPolarHBondContact O-CA 3.28Å; G119-Y183 WeakPolarHBondContact O-CB 3.29Å; G119-Y183 PolarHBondContact O-N 3.44Å
120	Q	97.7	Very high	95.6	Very high	51 Å²	51	54.8 Å²	54.8	24%	0.238	26%	0.258	C	S	.	.	H	α-helix	trans	-61.5	-39.9	175.9	-72.8	169.8	65.7	0	0	111.8	R116 N117 I118 H122 A123 G182 A186	R116-Q120 VanDerWaalsContact O-CG 3.27Å; R116-Q120 WeakPolarHBondContact O-CG 3.3Å; R116-Q120 PolarHBondContact O-N 3.12Å; R116-Q120 PolarHBondContact O-NE2 3.48Å; N117-Q120 PolarHBondContact O-N 2.86Å; N117-Q120 PolarHBondContact OD1-NE2 3.2Å; I118-Q120 PolarHBondContact O-N 3.36Å; Q120-H122 VanDerWaalsContact C-N 3.25Å; Q120-H122 PolarHBondContact O-N 3.01Å; Q120-A123 VanDerWaalsContact O-CB 3.28Å; Q120-A123 WeakPolarHBondContact O-CB 3.34Å; Q120-A123 PolarHBondContact O-N 3.38Å; Q120-G182 WeakPolarHBondContact CG-O 3.42Å; Q120-A186 HydrophobicContact CB-CB 4.08Å; Q120-A186 HydrophobicContact CG-CB 4.04Å
121	L	96.3	Very high	95.5	Very high	90 Å²	90	55.6 Å²	55.6	47%	0.471	26%	0.257	S	S	.	.	H	α-helix	trans	-62	-34.6	176.2	-69.4	171.4	0	0	0	112.1	N117 I118 G119 A123 K124	N117-L121 WeakPolarHBondContact O-CG 3.43Å; N117-L121 PolarHBondContact O-N 2.95Å; I118-L121 WeakPolarHBondContact O-CB 3.33Å; I118-L121 PolarHBondContact O-N 3.04Å; G119-L121 VanDerWaalsContact C-N 3.32Å; G119-L121 PolarHBondContact O-N 2.89Å; L121-A123 PolarHBondContact O-N 3.33Å; L121-K124 WeakPolarHBondContact O-CB 3.5Å; L121-K124 WeakPolarHBondContact O-CG 3.42Å; L121-K124 PolarHBondContact O-N 3.37Å
122	H	95.9	Very high	95.5	Very high	37 Å²	37	57.9 Å²	57.9	17%	0.171	27%	0.269	C	S	.	.	H	α-helix	trans	-66.4	-20.3	178.1	-78.4	66.1	0	0	0	113.7	I118 G119 Q120 K124 Y125 F130 W135 Y183	I118-H122 PolarHBondContact O-N 3.08Å; I118-H122 VanDerWaalsContact O-N 3.16Å; I118-H122 PolarHBondContact O-ND1 3.28Å; G119-H122 WeakPolarHBondContact O-CB 3.18Å; G119-H122 PolarHBondContact O-N 3.39Å; G119-H122 VanDerWaalsContact O-N 3.16Å; Q120-H122 VanDerWaalsContact C-N 3.25Å; Q120-H122 PolarHBondContact O-N 3.01Å; H122-K124 PolarHBondContact O-N 3.5Å; H122-Y125 HydrophobicContact CB-CD2 4.38Å; H122-Y125 PolarHBondContact O-N 2.87Å; H122-F130 HydrophobicContact CB-CE1 4.25Å; H122-F130 AromaticContact CD2-CZ 3.96Å; H122-W135 HydrophobicContact CB-CH2 4.02Å; H122-W135 HydrophobicContact CB-CZ2 3.96Å; H122-W135 AromaticContact CD2-CH2 3.96Å; H122-W135 AromaticContact CG-CH2 3.82Å; H122-Y183 HydrophobicContact CB-CD2 4.13Å
123	A	96	Very high	95.5	Very high	16 Å²	16	60.7 Å²	60.7	13%	0.132	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-59.5	-28.8	174.7	0	0	0	0	0	112.4	Q120 L121 Y125 A126 Y183 A186 M187	Q120-A123 VanDerWaalsContact O-CB 3.28Å; Q120-A123 WeakPolarHBondContact O-CB 3.34Å; Q120-A123 PolarHBondContact O-N 3.38Å; L121-A123 PolarHBondContact O-N 3.33Å; A123-Y125 PolarHBondContact O-N 3.46Å; A123-A126 VanDerWaalsContact O-CB 3.27Å; A123-A126 WeakPolarHBondContact O-CB 3.31Å; A123-A126 PolarHBondContact O-N 3.44Å; A123-A126 VanDerWaalsContact O-N 3.12Å; A123-Y183 HydrophobicContact CB-CD2 4.22Å; A123-Y183 HydrophobicContact CB-CE2 4.35Å; A123-A186 HydrophobicContact CB-CB 3.57Å; A123-M187 HydrophobicContact CB-CG 4.27Å; A123-M187 HydrophobicContact CB-SD 3.91Å
124	K	92.5	Very high	95.5	Very high	149 Å²	149	56.8 Å²	56.8	65%	0.648	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-62.1	-22.5	174.8	-61.7	-179.4	179.5	-179	0	113.1	L121 H122	L121-K124 WeakPolarHBondContact O-CB 3.5Å; L121-K124 WeakPolarHBondContact O-CG 3.42Å; L121-K124 PolarHBondContact O-N 3.37Å; H122-K124 PolarHBondContact O-N 3.5Å
125	Y	93.9	Very high	95.5	Very high	97 Å²	97	55.1 Å²	55.1	38%	0.38	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-92.2	-2.5	-179.9	-51.3	-53.6	0	0	0	113.1	H122 A123 E127 R128 G129 F130	H122-Y125 HydrophobicContact CB-CD2 4.38Å; H122-Y125 PolarHBondContact O-N 2.87Å; A123-Y125 PolarHBondContact O-N 3.46Å; Y125-E127 VanDerWaalsContact C-N 3.28Å; Y125-E127 PolarHBondContact O-N 3.34Å; Y125-R128 PolarHBondContact O-N 3.11Å; Y125-R128 VanDerWaalsContact O-N 3.08Å; Y125-G129 PolarHBondContact O-N 3.06Å; Y125-F130 VanDerWaalsContact O-CB 3.28Å; Y125-F130 WeakPolarHBondContact O-CB 3.37Å; Y125-F130 PolarHBondContact O-N 3.26Å
126	A	93.7	Very high	95.5	Very high	9 Å²	9	58.6 Å²	58.6	7%	0.074	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-59.2	-40.9	179.7	0	0	0	0	0	111.8	A123 R128 G129 F130 R131 M187	A123-A126 VanDerWaalsContact O-CB 3.27Å; A123-A126 WeakPolarHBondContact O-CB 3.31Å; A123-A126 PolarHBondContact O-N 3.44Å; A123-A126 VanDerWaalsContact O-N 3.12Å; A126-R128 PolarHBondContact O-N 3.24Å; A126-G129 PolarHBondContact O-N 2.95Å; A126-G129 VanDerWaalsContact O-N 3.14Å; A126-F130 WeakPolarHBondContact CA-O 3.39Å; A126-R131 PolarHBondContact O-NH1 3.44Å; A126-M187 HydrophobicContact CB-CE 3.91Å; A126-M187 HydrophobicContact CB-SD 3.84Å
127	E	90.4	Very high	95.5	Very high	156 Å²	156	57.2 Å²	57.2	73%	0.729	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-68.5	-23.9	179.3	-63.1	-176.3	166.3	0	0	112.8	Y125 G129 K191	Y125-E127 VanDerWaalsContact C-N 3.28Å; Y125-E127 PolarHBondContact O-N 3.34Å; E127-G129 VanDerWaalsContact C-N 3.32Å; E127-K191 IonicContact OE1-NZ 3.34Å; E127-K191 PolarHBondContact OE1-NZ 3.34Å
128	R	90.5	Very high	95.6	Very high	101 Å²	101	53.7 Å²	53.7	38%	0.381	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-88	-1.6	177.4	-62.7	174.7	61.7	-141.7	-12.1	113.3	L70 P72 Y125 A126	L70-R128 HydrophobicContact CD2-CB 3.98Å; L70-R128 WeakPolarHBondContact CD2-O 3.45Å; L70-R128 PolarHBondContact O-NH1 3.46Å; L70-R128 PolarHBondContact O-NH2 3.39Å; P72-R128 VanDerWaalsContact CD-NH2 3.33Å; Y125-R128 PolarHBondContact O-N 3.11Å; Y125-R128 VanDerWaalsContact O-N 3.08Å; A126-R128 PolarHBondContact O-N 3.24Å
129	G	92.2	Very high	95.6	Very high	9 Å²	9	54 Å²	54	9%	0.093	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	117.2	-1.3	177.3	0	0	0	0	0	115.3	Y125 A126 E127 R131 H134	Y125-G129 PolarHBondContact O-N 3.06Å; A126-G129 PolarHBondContact O-N 2.95Å; A126-G129 VanDerWaalsContact O-N 3.14Å; E127-G129 VanDerWaalsContact C-N 3.32Å; G129-R131 VanDerWaalsContact CA-NH1 3.26Å; G129-R131 WeakPolarHBondContact O-CG 3.49Å; G129-R131 PolarHBondContact O-N 3.06Å; G129-R131 PolarHBondContact O-NH1 2.93Å; G129-H134 PolarHBondContact O-CE1 3.24Å
130	F	95.4	Very high	95.6	Very high	5 Å²	5	58.2 Å²	58.2	2%	0.022	28%	0.283	C	S	.	.			trans	-67.3	135.4	175.4	-168.2	-93	0	0	0	110.4	L70 H122 Y125 A126 H134 W135 F138 Y183	L70-F130 HydrophobicContact CD1-CB 4.22Å; L70-F130 HydrophobicContact CD1-CD2 3.95Å; L70-F130 HydrophobicContact CD2-CB 4.47Å; H122-F130 HydrophobicContact CB-CE1 4.25Å; H122-F130 AromaticContact CD2-CZ 3.96Å; Y125-F130 VanDerWaalsContact O-CB 3.28Å; Y125-F130 WeakPolarHBondContact O-CB 3.37Å; Y125-F130 PolarHBondContact O-N 3.26Å; A126-F130 WeakPolarHBondContact CA-O 3.39Å; F130-H134 HydrophobicContact CD2-CB 4.15Å; F130-H134 HydrophobicContact CE2-CB 3.66Å; F130-H134 HydrophobicContact CZ-CB 3.99Å; F130-W135 HydrophobicContact CE1-CD2 4.46Å; F130-W135 AromaticContact CE1-CE2 3.6Å; F130-W135 HydrophobicContact CE1-CH2 4.42Å; F130-W135 AromaticContact CE1-CZ2 3.59Å; F130-W135 HydrophobicContact CE1-CZ2 3.59Å; F130-W135 AromaticContact CE1-NE1 3.56Å; F130-W135 HydrophobicContact CZ-CD2 4.09Å; F130-W135 AromaticContact CZ-CE2 3.61Å; F130-W135 HydrophobicContact CZ-CE3 4.48Å; F130-W135 HydrophobicContact CZ-CH2 4.04Å; F130-W135 AromaticContact CZ-CZ2 3.61Å; F130-W135 HydrophobicContact CZ-CZ2 3.61Å; F130-W135 HydrophobicContact CZ-CZ3 4.45Å; F130-W135 AromaticContact CZ-NE1 3.92Å; F130-F138 AromaticContact CE2-CE2 3.84Å; F130-F138 HydrophobicContact CE2-CE2 3.84Å; F130-F138 AromaticContact CE2-CZ 3.68Å; F130-F138 HydrophobicContact CE2-CZ 3.68Å; F130-F138 HydrophobicContact CZ-CE2 4.11Å; F130-F138 HydrophobicContact CZ-CZ 4.39Å; F130-Y183 HydrophobicContact CD1-CD2 4.17Å; F130-Y183 AromaticContact CD1-CE2 3.52Å; F130-Y183 HydrophobicContact CD1-CE2 3.52Å; F130-Y183 AromaticContact CE1-CD2 3.96Å; F130-Y183 HydrophobicContact CE1-CD2 3.96Å; F130-Y183 AromaticContact CE1-CE2 3.75Å; F130-Y183 HydrophobicContact CE1-CE2 3.75Å
131	R	94.2	Very high	95.6	Very high	132 Å²	132	55.8 Å²	55.8	50%	0.498	27%	0.272	S	S	.	.			trans	-137.5	161.9	-172.8	-59.6	-65.7	177.1	-92.7	1.1	110.4	A126 G129 A133 H134	A126-R131 PolarHBondContact O-NH1 3.44Å; G129-R131 VanDerWaalsContact CA-NH1 3.26Å; G129-R131 WeakPolarHBondContact O-CG 3.49Å; G129-R131 PolarHBondContact O-N 3.06Å; G129-R131 PolarHBondContact O-NH1 2.93Å; R131-A133 VanDerWaalsContact C-N 3.26Å; R131-A133 PolarHBondContact O-N 3.27Å; R131-H134 PolarHBondContact N-CE1 2.93Å; R131-H134 PolarHBondContact N-ND1 3.49Å; R131-H134 WeakPolarHBondContact O-CB 3.45Å; R131-H134 PolarHBondContact O-N 3.3Å; R131-H134 PolarHBondContact O-ND1 3.21Å; R131-H134 VanDerWaalsContact O-ND1 3.09Å
132	M	94.9	Very high	95.7	Very high	49 Å²	49	51.7 Å²	51.7	24%	0.241	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-36.9	179.7	-62	-88.1	52.1	0	0	113.5	H134 W135 R180 Y183 V184	M132-H134 PolarHBondContact O-N 2.9Å; M132-H134 VanDerWaalsContact O-N 3.14Å; M132-W135 HydrophobicContact CE-CG 4.42Å; M132-W135 WeakPolarHBondContact O-CB 3.29Å; M132-W135 VanDerWaalsContact O-CD1 3.28Å; M132-W135 PolarHBondContact O-N 3.47Å; M132-W135 VanDerWaalsContact O-N 3.1Å; M132-R180 HydrophobicContact CE-CG 4.08Å; M132-Y183 HydrophobicContact CE-CD1 3.02Å; M132-Y183 HydrophobicContact CE-CE1 3.22Å; M132-Y183 HydrophobicContact CE-CG 3.93Å; M132-Y183 HydrophobicContact CG-CE1 4.16Å; M132-Y183 HydrophobicContact SD-CD1 3.67Å; M132-Y183 HydrophobicContact SD-CE1 3.57Å; M132-Y183 VanDerWaalsContact SD-CE1 3.57Å; M132-V184 HydrophobicContact CE-CG2 4.3Å; M132-V184 HydrophobicContact SD-CG2 3.72Å
133	A	96.2	Very high	95.9	Very high	60 Å²	60	51.1 Å²	51.1	50%	0.496	25%	0.249	S	C	.	.	H	α-helix	trans	-59.8	-23	177.2	0	0	0	0	0	114.1	R131 W135 D136 I137	R131-A133 VanDerWaalsContact C-N 3.26Å; R131-A133 PolarHBondContact O-N 3.27Å; A133-W135 PolarHBondContact O-N 3.01Å; A133-D136 PolarHBondContact O-N 3.19Å; A133-I137 PolarHBondContact O-N 3.47Å
134	H	97.2	Very high	96	Very high	10 Å²	10	52.3 Å²	52.3	5%	0.046	26%	0.256	C	S	.	.	H	α-helix	trans	-66.8	-25.5	177.3	-65.3	91.2	0	0	0	112.6	G129 F130 R131 M132 D136 I137 F138	G129-H134 PolarHBondContact O-CE1 3.24Å; F130-H134 HydrophobicContact CD2-CB 4.15Å; F130-H134 HydrophobicContact CE2-CB 3.66Å; F130-H134 HydrophobicContact CZ-CB 3.99Å; R131-H134 PolarHBondContact N-CE1 2.93Å; R131-H134 PolarHBondContact N-ND1 3.49Å; R131-H134 WeakPolarHBondContact O-CB 3.45Å; R131-H134 PolarHBondContact O-N 3.3Å; R131-H134 PolarHBondContact O-ND1 3.21Å; R131-H134 VanDerWaalsContact O-ND1 3.09Å; M132-H134 PolarHBondContact O-N 2.9Å; M132-H134 VanDerWaalsContact O-N 3.14Å; H134-D136 VanDerWaalsContact C-N 3.33Å; H134-I137 PolarHBondContact O-N 2.63Å; H134-F138 HydrophobicContact CB-CE1 4.4Å; H134-F138 WeakPolarHBondContact O-CD1 3.35Å; H134-F138 WeakPolarHBondContact O-CG 3.42Å; H134-F138 PolarHBondContact O-N 3.32Å
135	W	98.2	Very high	96.3	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.7	-39.5	176.4	-66.4	110.1	0	0	0	111.7	H122 F130 M132 A133 I137 F138 L139 I176 M179 R180 Y183	H122-W135 HydrophobicContact CB-CH2 4.02Å; H122-W135 HydrophobicContact CB-CZ2 3.96Å; H122-W135 AromaticContact CD2-CH2 3.96Å; H122-W135 AromaticContact CG-CH2 3.82Å; F130-W135 HydrophobicContact CE1-CD2 4.46Å; F130-W135 AromaticContact CE1-CE2 3.6Å; F130-W135 HydrophobicContact CE1-CH2 4.42Å; F130-W135 AromaticContact CE1-CZ2 3.59Å; F130-W135 HydrophobicContact CE1-CZ2 3.59Å; F130-W135 AromaticContact CE1-NE1 3.56Å; F130-W135 HydrophobicContact CZ-CD2 4.09Å; F130-W135 AromaticContact CZ-CE2 3.61Å; F130-W135 HydrophobicContact CZ-CE3 4.48Å; F130-W135 HydrophobicContact CZ-CH2 4.04Å; F130-W135 AromaticContact CZ-CZ2 3.61Å; F130-W135 HydrophobicContact CZ-CZ2 3.61Å; F130-W135 HydrophobicContact CZ-CZ3 4.45Å; F130-W135 AromaticContact CZ-NE1 3.92Å; M132-W135 HydrophobicContact CE-CG 4.42Å; M132-W135 WeakPolarHBondContact O-CB 3.29Å; M132-W135 VanDerWaalsContact O-CD1 3.28Å; M132-W135 PolarHBondContact O-N 3.47Å; M132-W135 VanDerWaalsContact O-N 3.1Å; A133-W135 PolarHBondContact O-N 3.01Å; W135-I137 VanDerWaalsContact C-N 3.34Å; W135-F138 AromaticContact CE3-CD2 3.87Å; W135-F138 HydrophobicContact CE3-CD2 3.87Å; W135-F138 HydrophobicContact CE3-CE2 4.38Å; W135-F138 AromaticContact CZ3-CD2 3.97Å; W135-F138 HydrophobicContact CZ3-CD2 3.97Å; W135-F138 HydrophobicContact CZ3-CE2 4.2Å; W135-F138 WeakPolarHBondContact O-CB 3.41Å; W135-F138 PolarHBondContact O-N 2.98Å; W135-L139 PolarHBondContact O-N 3.29Å; W135-I176 HydrophobicContact CB-CG2 3.86Å; W135-I176 HydrophobicContact CE3-CD1 4.27Å; W135-I176 HydrophobicContact CE3-CG2 4.37Å; W135-I176 WeakPolarHBondContact O-CG2 3.45Å; W135-M179 HydrophobicContact CE3-CB 4.17Å; W135-M179 HydrophobicContact CH2-CB 3.78Å; W135-M179 HydrophobicContact CH2-CE 3.9Å; W135-M179 HydrophobicContact CZ3-CB 3.54Å; W135-M179 HydrophobicContact CZ3-CE 3.54Å; W135-M179 HydrophobicContact CZ3-CG 4.36Å; W135-M179 HydrophobicContact CZ3-SD 4.06Å; W135-R180 HydrophobicContact CG-CB 4.33Å; W135-R180 HydrophobicContact CG-CG 4.46Å; W135-Y183 HydrophobicContact CZ2-CD2 4.11Å; W135-Y183 HydrophobicContact CZ2-CG 4.1Å; W135-Y183 AromaticContact NE1-CG 3.82Å
136	D	98.2	Very high	96.4	Very high	73 Å²	73	41 Å²	41	39%	0.39	21%	0.21	S	C	.	.	H	α-helix	trans	-67.6	-40.1	178.1	-52.3	-42.7	0	0	0	109.6	A133 H134 F138 L139 D140 R180	A133-D136 PolarHBondContact O-N 3.19Å; H134-D136 VanDerWaalsContact C-N 3.33Å; D136-F138 VanDerWaalsContact C-N 3.33Å; D136-F138 PolarHBondContact O-N 2.95Å; D136-L139 WeakPolarHBondContact O-CB 3.15Å; D136-L139 PolarHBondContact O-N 2.94Å; D136-D140 PolarHBondContact O-N 3.42Å; D136-R180 IonicContact OD1-NH1 3.08Å; D136-R180 PolarHBondContact OD1-NH1 3.03Å; D136-R180 VanDerWaalsContact OD1-NH1 3.08Å; D136-R180 IonicContact OD2-NH1 3.87Å
137	I	98.5	Very high	96.6	Very high	32 Å²	32	44.6 Å²	44.6	16%	0.164	23%	0.225	C	C	.	.	H	α-helix	trans	-60.7	-40.2	171.8	-67.2	154.5	0	0	0	112.1	I60 K63 A64 A133 H134 W135 D140 A141	I60-I137 HydrophobicContact CB-CG2 4.39Å; I60-I137 HydrophobicContact CG1-CG2 4.35Å; I60-I137 HydrophobicContact CG2-CG2 4.17Å; K63-I137 HydrophobicContact CB-CG2 4Å; A64-I137 HydrophobicContact CB-CD1 3.67Å; A64-I137 HydrophobicContact CB-CG2 4.48Å; A133-I137 PolarHBondContact O-N 3.47Å; H134-I137 PolarHBondContact O-N 2.63Å; W135-I137 VanDerWaalsContact C-N 3.34Å; I137-D140 PolarHBondContact O-N 3.35Å; I137-A141 VanDerWaalsContact O-CB 3.3Å; I137-A141 WeakPolarHBondContact O-CB 3.47Å; I137-A141 PolarHBondContact O-N 2.64Å
138	F	98.4	Very high	96.9	Very high	15 Å²	15	41.8 Å²	41.8	7%	0.066	22%	0.215	C	C	.	.	H	α-helix	trans	-65.2	-42.4	177.2	-69.8	1.6	0	0	0	111.1	I60 F130 H134 W135 D136 A141 I142 I176	I60-F138 HydrophobicContact CD1-CD1 3.58Å; I60-F138 HydrophobicContact CD1-CE1 3.83Å; I60-F138 HydrophobicContact CD1-CG 4.36Å; I60-F138 HydrophobicContact CG1-CD1 3.91Å; I60-F138 HydrophobicContact CG1-CE1 4.31Å; I60-F138 HydrophobicContact CG2-CD1 4.24Å; I60-F138 HydrophobicContact CG2-CE1 3.93Å; F130-F138 AromaticContact CE2-CE2 3.84Å; F130-F138 HydrophobicContact CE2-CE2 3.84Å; F130-F138 AromaticContact CE2-CZ 3.68Å; F130-F138 HydrophobicContact CE2-CZ 3.68Å; F130-F138 HydrophobicContact CZ-CE2 4.11Å; F130-F138 HydrophobicContact CZ-CZ 4.39Å; H134-F138 HydrophobicContact CB-CE1 4.4Å; H134-F138 WeakPolarHBondContact O-CD1 3.35Å; H134-F138 WeakPolarHBondContact O-CG 3.42Å; H134-F138 PolarHBondContact O-N 3.32Å; W135-F138 AromaticContact CE3-CD2 3.87Å; W135-F138 HydrophobicContact CE3-CD2 3.87Å; W135-F138 HydrophobicContact CE3-CE2 4.38Å; W135-F138 AromaticContact CZ3-CD2 3.97Å; W135-F138 HydrophobicContact CZ3-CD2 3.97Å; W135-F138 HydrophobicContact CZ3-CE2 4.2Å; W135-F138 WeakPolarHBondContact O-CB 3.41Å; W135-F138 PolarHBondContact O-N 2.98Å; D136-F138 VanDerWaalsContact C-N 3.33Å; D136-F138 PolarHBondContact O-N 2.95Å; F138-A141 PolarHBondContact O-N 3.4Å; F138-I142 WeakPolarHBondContact O-CD1 3.36Å; F138-I142 WeakPolarHBondContact O-CG1 3.24Å; F138-I142 PolarHBondContact O-N 3.17Å; F138-I176 HydrophobicContact CB-CD1 3.7Å; F138-I176 HydrophobicContact CD2-CD1 4.5Å
139	L	98.6	Very high	97.1	Very high	44 Å²	44	39.1 Å²	39.1	23%	0.23	21%	0.207	C	C	.	.	H	α-helix	trans	-59.6	-52	175.5	177.8	56.8	0	0	0	110.8	W135 D136 A141 I142 V143 A172 A173 I176	W135-L139 PolarHBondContact O-N 3.29Å; D136-L139 WeakPolarHBondContact O-CB 3.15Å; D136-L139 PolarHBondContact O-N 2.94Å; L139-A141 VanDerWaalsContact C-N 3.28Å; L139-A141 PolarHBondContact O-N 2.87Å; L139-I142 PolarHBondContact O-N 3.22Å; L139-V143 HydrophobicContact CD1-CG2 3.87Å; L139-V143 HydrophobicContact CG-CG2 4.41Å; L139-V143 WeakPolarHBondContact O-CB 3.25Å; L139-V143 VanDerWaalsContact O-CG2 3.28Å; L139-V143 WeakPolarHBondContact O-CG2 3.42Å; L139-V143 PolarHBondContact O-N 3.16Å; L139-A172 HydrophobicContact CD1-CB 3.8Å; L139-A173 HydrophobicContact CD1-CB 4.28Å; L139-I176 HydrophobicContact CB-CB 4.44Å; L139-I176 HydrophobicContact CB-CG1 4.05Å; L139-I176 HydrophobicContact CB-CG2 4.33Å; L139-I176 HydrophobicContact CD1-CG1 4.41Å
140	D	98.5	Very high	97.3	Very high	88 Å²	88	38.8 Å²	38.8	47%	0.471	20%	0.203	S	C	.	.	H	α-helix	trans	-58.7	-41.7	-179.6	-71.9	-13.3	0	0	0	111.6	K63 D136 I137 V143 S144	K63-D140 HydrophobicContact CD-CB 4.32Å; D136-D140 PolarHBondContact O-N 3.42Å; I137-D140 PolarHBondContact O-N 3.35Å; D140-V143 PolarHBondContact O-N 2.93Å; D140-S144 WeakPolarHBondContact O-CB 3.24Å; D140-S144 PolarHBondContact O-N 3.09Å
141	A	98.7	Very high	97.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-65.7	-45.4	178.6	0	0	0	0	0	112.7	I56 E59 I60 I137 F138 L139 V143 C145	I56-A141 HydrophobicContact CG2-CB 4.28Å; E59-A141 HydrophobicContact CB-CB 3.94Å; E59-A141 HydrophobicContact CG-CB 3.78Å; I60-A141 HydrophobicContact CD1-CB 4.38Å; I60-A141 HydrophobicContact CG1-CB 3.55Å; I137-A141 VanDerWaalsContact O-CB 3.3Å; I137-A141 WeakPolarHBondContact O-CB 3.47Å; I137-A141 PolarHBondContact O-N 2.64Å; F138-A141 PolarHBondContact O-N 3.4Å; L139-A141 VanDerWaalsContact C-N 3.28Å; L139-A141 PolarHBondContact O-N 2.87Å; A141-V143 PolarHBondContact O-N 3.18Å; A141-C145 WeakPolarHBondContact O-CB 3.23Å; A141-C145 PolarHBondContact O-N 3.1Å; A141-C145 PolarHBondContact O-SG 3.26Å
142	I	98.6	Very high	97.2	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.015	23%	0.232	C	C	.	.	H	α-helix	trans	-60.3	-48.7	175.8	-64	161.2	0	0	0	109.8	I56 F94 I98 F138 L139 C145 M146 A172 I176	I56-I142 HydrophobicContact CD1-CG1 4.35Å; I56-I142 HydrophobicContact CG2-CG1 4.46Å; F94-I142 HydrophobicContact CE1-CD1 3.67Å; F94-I142 HydrophobicContact CE1-CG1 3.64Å; F94-I142 HydrophobicContact CZ-CD1 3.86Å; F94-I142 HydrophobicContact CZ-CG1 3.95Å; I98-I142 HydrophobicContact CD1-CG2 4.35Å; F138-I142 WeakPolarHBondContact O-CD1 3.36Å; F138-I142 WeakPolarHBondContact O-CG1 3.24Å; F138-I142 PolarHBondContact O-N 3.17Å; L139-I142 PolarHBondContact O-N 3.22Å; I142-C145 PolarHBondContact O-N 2.98Å; I142-M146 HydrophobicContact CG2-CG 4.09Å; I142-M146 VanDerWaalsContact O-CB 3.3Å; I142-M146 WeakPolarHBondContact O-CB 3.4Å; I142-M146 WeakPolarHBondContact O-CG 3.25Å; I142-M146 PolarHBondContact O-N 3.11Å; I142-A172 HydrophobicContact CB-CB 4.16Å; I142-A172 HydrophobicContact CG2-CB 3.57Å; I142-I176 HydrophobicContact CD1-CD1 4Å; I142-I176 HydrophobicContact CD1-CG1 4.2Å
143	V	98.6	Very high	97.2	Very high	25 Å²	25	40.6 Å²	40.6	15%	0.152	22%	0.224	C	C	.	.	H	α-helix	trans	-62.9	-45.9	-177.2	172	0	0	0	0	111.2	L139 D140 A141 M146 H147 R169 A172	L139-V143 HydrophobicContact CD1-CG2 3.87Å; L139-V143 HydrophobicContact CG-CG2 4.41Å; L139-V143 WeakPolarHBondContact O-CB 3.25Å; L139-V143 VanDerWaalsContact O-CG2 3.28Å; L139-V143 WeakPolarHBondContact O-CG2 3.42Å; L139-V143 PolarHBondContact O-N 3.16Å; D140-V143 PolarHBondContact O-N 2.93Å; A141-V143 PolarHBondContact O-N 3.18Å; V143-M146 PolarHBondContact O-N 3.16Å; V143-H147 WeakPolarHBondContact O-CB 3.41Å; V143-H147 PolarHBondContact O-N 2.74Å; V143-R169 HydrophobicContact CG1-CB 4.49Å; V143-R169 HydrophobicContact CG1-CG 4.33Å; V143-R169 HydrophobicContact CG2-CB 4.23Å; V143-R169 HydrophobicContact CG2-CG 3.95Å; V143-A172 HydrophobicContact CG2-CB 4.19Å
144	S	98.5	Very high	97	Very high	41 Å²	41	42.8 Å²	42.8	29%	0.287	23%	0.233	S	C	.	.	H	α-helix	trans	-59.5	-51.2	177.7	-176.7	0	0	0	0	111.2	D140 M146 H147 L148	D140-S144 WeakPolarHBondContact O-CB 3.24Å; D140-S144 PolarHBondContact O-N 3.09Å; S144-M146 PolarHBondContact O-N 2.67Å; S144-H147 PolarHBondContact O-N 3.33Å; S144-L148 WeakPolarHBondContact O-CG 3.47Å; S144-L148 PolarHBondContact O-N 2.99Å
145	C	98.3	Very high	96.8	Very high	8 Å²	8	49.5 Å²	49.5	5%	0.054	27%	0.269	C	S	.	.	H	α-helix	trans	-66.1	-38.9	-179.3	-65.3	0	0	0	0	112.7	L52 S55 I56 A141 I142 L148 Q149	L52-C145 HydrophobicContact CD1-CB 3.96Å; S55-C145 VanDerWaalsContact C-SG 3.55Å; I56-C145 HydrophobicContact CG1-CB 3.8Å; A141-C145 WeakPolarHBondContact O-CB 3.23Å; A141-C145 PolarHBondContact O-N 3.1Å; A141-C145 PolarHBondContact O-SG 3.26Å; I142-C145 PolarHBondContact O-N 2.98Å; C145-L148 PolarHBondContact O-N 3.47Å; C145-Q149 WeakPolarHBondContact O-CG 3.4Å; C145-Q149 PolarHBondContact O-N 3.3Å
146	M	97.6	Very high	96.8	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-64.4	-43.5	175.3	-73.4	-65.8	-172.8	0	0	111.5	W42 L52 I98 I142 V143 S144 L148 Q149 M150 W168	W42-M146 HydrophobicContact CZ3-CE 3.9Å; L52-M146 HydrophobicContact CD1-SD 4.49Å; L52-M146 HydrophobicContact CD2-CE 3.82Å; L52-M146 HydrophobicContact CD2-SD 4.31Å; I98-M146 HydrophobicContact CD1-CE 3.9Å; I98-M146 HydrophobicContact CG2-CE 3.85Å; I142-M146 HydrophobicContact CG2-CG 4.09Å; I142-M146 VanDerWaalsContact O-CB 3.3Å; I142-M146 WeakPolarHBondContact O-CB 3.4Å; I142-M146 WeakPolarHBondContact O-CG 3.25Å; I142-M146 PolarHBondContact O-N 3.11Å; V143-M146 PolarHBondContact O-N 3.16Å; S144-M146 PolarHBondContact O-N 2.67Å; M146-L148 VanDerWaalsContact C-N 3.33Å; M146-L148 PolarHBondContact O-N 3.02Å; M146-Q149 WeakPolarHBondContact O-CB 3.47Å; M146-Q149 PolarHBondContact O-N 3.08Å; M146-M150 WeakPolarHBondContact O-CG 3.2Å; M146-M150 PolarHBondContact O-N 3.26Å; M146-W168 HydrophobicContact CB-CB 3.97Å; M146-W168 HydrophobicContact CB-CG 4.16Å; M146-W168 HydrophobicContact CE-CD2 3.93Å; M146-W168 HydrophobicContact CE-CE3 3.43Å; M146-W168 VanDerWaalsContact CE-CE3 3.43Å; M146-W168 HydrophobicContact CE-CH2 3.75Å; M146-W168 HydrophobicContact CE-CZ2 4.25Å; M146-W168 HydrophobicContact CE-CZ3 3.35Å; M146-W168 HydrophobicContact CG-CB 4.19Å; M146-W168 HydrophobicContact CG-CD2 4.14Å; M146-W168 HydrophobicContact CG-CE3 4.19Å; M146-W168 HydrophobicContact CG-CG 4.16Å; M146-W168 HydrophobicContact SD-CD2 3.63Å; M146-W168 HydrophobicContact SD-CE3 3.79Å; M146-W168 HydrophobicContact SD-CG 4.07Å; M146-W168 HydrophobicContact SD-CH2 4.36Å; M146-W168 HydrophobicContact SD-CZ2 4.27Å; M146-W168 HydrophobicContact SD-CZ3 4.16Å
147	H	97	Very high	96.7	Very high	85 Å²	85	52.1 Å²	52.1	39%	0.394	28%	0.282	S	S	.	.	H	α-helix	trans	-59.6	-44	176.8	-176.8	70.4	0	0	0	111.7	V143 S144 Q149 M150 A151	V143-H147 WeakPolarHBondContact O-CB 3.41Å; V143-H147 PolarHBondContact O-N 2.74Å; S144-H147 PolarHBondContact O-N 3.33Å; H147-Q149 VanDerWaalsContact C-N 3.27Å; H147-Q149 PolarHBondContact O-N 3.32Å; H147-M150 PolarHBondContact O-N 3.2Å; H147-A151 PolarHBondContact O-N 3.45Å
148	L	96.4	Very high	96.6	Very high	97 Å²	97	56.1 Å²	56.1	51%	0.508	30%	0.303	S	S	.	.	H	α-helix	trans	-62.6	-32	174.2	-69	174.8	0	0	0	113.2	S144 C145 M146 K152	S144-L148 WeakPolarHBondContact O-CG 3.47Å; S144-L148 PolarHBondContact O-N 2.99Å; C145-L148 PolarHBondContact O-N 3.47Å; M146-L148 VanDerWaalsContact C-N 3.33Å; M146-L148 PolarHBondContact O-N 3.02Å; L148-K152 WeakPolarHBondContact O-CG 3.22Å
149	Q	95.4	Very high	96.6	Very high	44 Å²	44	58.8 Å²	58.8	21%	0.206	32%	0.324	C	S	.	.	H	α-helix	trans	-72.4	-43	173.4	-74.6	-162.9	-18.6	0	0	112.1	C145 M146 H147 A151 K152	C145-Q149 WeakPolarHBondContact O-CG 3.4Å; C145-Q149 PolarHBondContact O-N 3.3Å; M146-Q149 WeakPolarHBondContact O-CB 3.47Å; M146-Q149 PolarHBondContact O-N 3.08Å; H147-Q149 VanDerWaalsContact C-N 3.27Å; H147-Q149 PolarHBondContact O-N 3.32Å; Q149-A151 VanDerWaalsContact C-N 3.29Å; Q149-A151 PolarHBondContact O-N 3.39Å; Q149-K152 PolarHBondContact O-N 2.93Å
150	M	95.7	Very high	96.5	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.01	32%	0.322	C	S	.	.	H	α-helix	trans	-60.2	-41.3	179	-64.8	-50	95.5	0	0	111.1	S41 M146 H147 K152 I153 K161 A164 A165 W168	S41-M150 WeakPolarHBondContact CB-SD 3.36Å; M146-M150 WeakPolarHBondContact O-CG 3.2Å; M146-M150 PolarHBondContact O-N 3.26Å; H147-M150 PolarHBondContact O-N 3.2Å; M150-K152 PolarHBondContact O-N 3.42Å; M150-I153 HydrophobicContact CE-CD1 3.79Å; M150-I153 PolarHBondContact O-N 3.11Å; M150-I153 VanDerWaalsContact O-N 3.08Å; M150-I153 HydrophobicContact SD-CD1 3.67Å; M150-K161 WeakPolarHBondContact O-CG 3.45Å; M150-A164 HydrophobicContact CG-CB 4.15Å; M150-A164 HydrophobicContact SD-CB 3.62Å; M150-A165 HydrophobicContact CB-CB 4.36Å; M150-A165 HydrophobicContact CG-CB 4.07Å; M150-W168 VanDerWaalsContact SD-CD1 3.55Å
151	A	94.8	Very high	96.5	Very high	56 Å²	56	55.9 Å²	55.9	46%	0.463	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-26.3	176.3	0	0	0	0	0	113.8	H147 Q149	H147-A151 PolarHBondContact O-N 3.45Å; Q149-A151 VanDerWaalsContact C-N 3.29Å; Q149-A151 PolarHBondContact O-N 3.39Å
152	K	93.5	Very high	96.4	Very high	155 Å²	155	60.7 Å²	60.7	67%	0.674	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	4.5	-176.2	-61.6	173.7	-174	179.2	0	114	L148 Q149 M150 P154	L148-K152 WeakPolarHBondContact O-CG 3.22Å; Q149-K152 PolarHBondContact O-N 2.93Å; M150-K152 PolarHBondContact O-N 3.42Å; K152-P154 WeakPolarHBondContact O-CD 3.46Å
153	I	94.3	Very high	96.4	Very high	13 Å²	13	64 Å²	64	7%	0.067	35%	0.349	C	S	.	.			trans	-78.7	115.7	178	-62	178.9	0	0	0	108.8	S41 M150 N155 F156 K161	S41-I153 VanDerWaalsContact CB-CD1 3.47Å; M150-I153 HydrophobicContact CE-CD1 3.79Å; M150-I153 PolarHBondContact O-N 3.11Å; M150-I153 VanDerWaalsContact O-N 3.08Å; M150-I153 HydrophobicContact SD-CD1 3.67Å; I153-N155 PolarHBondContact O-N 3.29Å; I153-F156 HydrophobicContact CB-CB 4.32Å; I153-F156 HydrophobicContact CB-CD2 4.27Å; I153-F156 HydrophobicContact CB-CG 4.28Å; I153-F156 HydrophobicContact CD1-CD2 4.01Å; I153-F156 HydrophobicContact CD1-CE2 4.02Å; I153-F156 HydrophobicContact CG2-CB 3.99Å; I153-F156 HydrophobicContact CG2-CD1 3.89Å; I153-F156 HydrophobicContact CG2-CD2 3.92Å; I153-F156 HydrophobicContact CG2-CE1 4.36Å; I153-F156 HydrophobicContact CG2-CE2 4.41Å; I153-F156 HydrophobicContact CG2-CG 3.64Å; I153-K161 WeakPolarHBondContact O-CE 3.15Å
154	P	92.8	Very high	96.4	Very high	107 Å²	107	62.8 Å²	62.8	70%	0.695	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-27.2	-172.5	27.9	-35	0	0	0	113.5	K152	K152-P154 WeakPolarHBondContact O-CD 3.46Å
155	N	93.1	Very high	96.3	Very high	151 Å²	151	61.1 Å²	61.1	81%	0.807	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	3.8	-174.3	-63.3	-18.1	0	0	0	113.6	I153	I153-N155 PolarHBondContact O-N 3.29Å
156	F	96.6	Very high	96.3	Very high	29 Å²	29	62.5 Å²	62.5	13%	0.127	34%	0.342	C	S	.	.	S	Bend	trans	-106.3	134	176.2	-74.3	6.8	0	0	0	108.6	L37 K40 I153 T160 K161 A164	L37-F156 HydrophobicContact CD2-CE2 4.18Å; L37-F156 HydrophobicContact CD2-CZ 4.14Å; K40-F156 HydrophobicContact CB-CE1 4.44Å; K40-F156 HydrophobicContact CB-CZ 3.92Å; I153-F156 HydrophobicContact CB-CB 4.32Å; I153-F156 HydrophobicContact CB-CD2 4.27Å; I153-F156 HydrophobicContact CB-CG 4.28Å; I153-F156 HydrophobicContact CD1-CD2 4.01Å; I153-F156 HydrophobicContact CD1-CE2 4.02Å; I153-F156 HydrophobicContact CG2-CB 3.99Å; I153-F156 HydrophobicContact CG2-CD1 3.89Å; I153-F156 HydrophobicContact CG2-CD2 3.92Å; I153-F156 HydrophobicContact CG2-CE1 4.36Å; I153-F156 HydrophobicContact CG2-CE2 4.41Å; I153-F156 HydrophobicContact CG2-CG 3.64Å; F156-T160 HydrophobicContact CB-CG2 3.95Å; F156-T160 HydrophobicContact CD1-CG2 3.84Å; F156-T160 HydrophobicContact CD2-CG2 3.59Å; F156-T160 HydrophobicContact CE1-CG2 4.21Å; F156-T160 HydrophobicContact CE2-CG2 3.96Å; F156-T160 HydrophobicContact CG-CG2 3.52Å; F156-T160 HydrophobicContact CZ-CG2 4.26Å; F156-K161 HydrophobicContact CB-CG 3.72Å; F156-K161 WeakPolarHBondContact O-CE 3.3Å; F156-A164 HydrophobicContact CD2-CB 4.35Å; F156-A164 HydrophobicContact CE2-CB 4.01Å
157	D	97.1	Very high	96.3	Very high	99 Å²	99	62.4 Å²	62.4	53%	0.529	34%	0.342	S	S	.	.			trans	-72.5	172.5	164.6	61.8	30.2	0	0	0	110.7	S159 T160 K161	D157-S159 VanDerWaalsContact C-N 3.31Å; D157-S159 PolarHBondContact O-N 3.45Å; D157-S159 PolarHBondContact OD1-N 3.46Å; D157-T160 PolarHBondContact O-N 3.08Å; D157-T160 WeakPolarHBondContact OD1-CB 3.4Å; D157-T160 PolarHBondContact OD1-N 2.86Å; D157-T160 PolarHBondContact OD1-OG1 2.94Å; D157-K161 VanDerWaalsContact O-CG 3.29Å; D157-K161 WeakPolarHBondContact O-CG 3.46Å; D157-K161 PolarHBondContact O-N 3.38Å
158	D	96.5	Very high	96.4	Very high	115 Å²	115	58.5 Å²	58.5	62%	0.615	32%	0.324	S	S	*	.	H	α-helix	trans	-64.1	-35.9	-174.4	-65	-21.7	0	0	0	112.5	K161 D162	D158-K161 PolarHBondContact O-N 3.3Å; D158-K161 IonicContact OD1-NZ 3.4Å; D158-K161 PolarHBondContact OD1-NZ 2.92Å; D158-D162 PolarHBondContact O-N 2.89Å
159	S	97.2	Very high	96.5	Very high	72 Å²	72	59.6 Å²	59.6	50%	0.503	32%	0.321	S	S	.	.	H	α-helix	trans	-60.7	-48.9	173.2	-171.5	0	0	0	0	111.2	D157 K161 D162 E163	D157-S159 VanDerWaalsContact C-N 3.31Å; D157-S159 PolarHBondContact O-N 3.45Å; D157-S159 PolarHBondContact OD1-N 3.46Å; S159-K161 VanDerWaalsContact C-N 3.29Å; S159-K161 PolarHBondContact O-N 2.93Å; S159-D162 PolarHBondContact O-N 3.48Å; S159-E163 WeakPolarHBondContact O-CG 3.4Å; S159-E163 PolarHBondContact O-N 2.95Å; S159-E163 PolarHBondContact OG-OE1 3.41Å
160	T	97.8	Very high	96.6	Very high	31 Å²	31	60.1 Å²	60.1	19%	0.19	33%	0.327	C	S	.	.	H	α-helix	trans	-64.6	-35.8	-178.9	-54.5	0	0	0	0	111.2	L37 F156 D157 A164	L37-T160 HydrophobicContact CD2-CG2 3.62Å; F156-T160 HydrophobicContact CB-CG2 3.95Å; F156-T160 HydrophobicContact CD1-CG2 3.84Å; F156-T160 HydrophobicContact CD2-CG2 3.59Å; F156-T160 HydrophobicContact CE1-CG2 4.21Å; F156-T160 HydrophobicContact CE2-CG2 3.96Å; F156-T160 HydrophobicContact CG-CG2 3.52Å; F156-T160 HydrophobicContact CZ-CG2 4.26Å; D157-T160 PolarHBondContact O-N 3.08Å; D157-T160 WeakPolarHBondContact OD1-CB 3.4Å; D157-T160 PolarHBondContact OD1-N 2.86Å; D157-T160 PolarHBondContact OD1-OG1 2.94Å; T160-A164 VanDerWaalsContact O-CB 3.26Å; T160-A164 WeakPolarHBondContact O-CB 3.29Å; T160-A164 PolarHBondContact O-N 3.22Å
161	K	98.3	Very high	96.7	Very high	39 Å²	39	60 Å²	60	17%	0.17	33%	0.327	C	S	.	.	H	α-helix	trans	-64.8	-43.1	174.4	-70.3	170.9	-178.5	160.3	0	111.7	M150 I153 F156 D157 D158 S159 A164 A165	M150-K161 WeakPolarHBondContact O-CG 3.45Å; I153-K161 WeakPolarHBondContact O-CE 3.15Å; F156-K161 HydrophobicContact CB-CG 3.72Å; F156-K161 WeakPolarHBondContact O-CE 3.3Å; D157-K161 VanDerWaalsContact O-CG 3.29Å; D157-K161 WeakPolarHBondContact O-CG 3.46Å; D157-K161 PolarHBondContact O-N 3.38Å; D158-K161 PolarHBondContact O-N 3.3Å; D158-K161 IonicContact OD1-NZ 3.4Å; D158-K161 PolarHBondContact OD1-NZ 2.92Å; S159-K161 VanDerWaalsContact C-N 3.29Å; S159-K161 PolarHBondContact O-N 2.93Å; K161-A164 PolarHBondContact O-N 3.35Å; K161-A165 WeakPolarHBondContact O-CB 3.39Å; K161-A165 PolarHBondContact O-N 3.07Å
162	D	97.2	Very high	96.8	Very high	101 Å²	101	57.4 Å²	57.4	54%	0.54	31%	0.306	S	S	.	.	H	α-helix	trans	-66.8	-42.3	178.1	-77.2	-19.1	0	0	0	111.8	D158 S159 A165 A166	D158-D162 PolarHBondContact O-N 2.89Å; S159-D162 PolarHBondContact O-N 3.48Å; D162-A165 PolarHBondContact O-N 3.31Å; D162-A166 WeakPolarHBondContact O-CB 3.45Å; D162-A166 PolarHBondContact O-N 3.46Å
163	E	97.6	Very high	97	Very high	73 Å²	73	51.7 Å²	51.7	34%	0.341	29%	0.287	S	S	.	.	H	α-helix	trans	-62.1	-44	174.1	-71.4	173.9	-117.2	0	0	111.7	H33 L37 S159 A165 A166 A167	H33-E163 IonicContact CD2-OE2 3.2Å; H33-E163 PolarHBondContact CD2-OE2 3.37Å; H33-E163 IonicContact CE1-OE2 3.48Å; H33-E163 IonicContact NE2-OE2 3.85Å; H33-E163 PolarHBondContact NE2-OE2 3.04Å; L37-E163 HydrophobicContact CD1-CB 3.59Å; S159-E163 WeakPolarHBondContact O-CG 3.4Å; S159-E163 PolarHBondContact O-N 2.95Å; S159-E163 PolarHBondContact OG-OE1 3.41Å; E163-A165 PolarHBondContact O-N 3.42Å; E163-A166 PolarHBondContact O-N 3.05Å; E163-A167 PolarHBondContact O-N 3.35Å
164	A	98.1	Very high	97.2	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64.1	-41.3	176.5	0	0	0	0	0	111.3	L37 M150 F156 T160 K161 A166 A167 W168	L37-A164 HydrophobicContact CB-CB 4.18Å; L37-A164 HydrophobicContact CD1-CB 4.45Å; M150-A164 HydrophobicContact CG-CB 4.15Å; M150-A164 HydrophobicContact SD-CB 3.62Å; F156-A164 HydrophobicContact CD2-CB 4.35Å; F156-A164 HydrophobicContact CE2-CB 4.01Å; T160-A164 VanDerWaalsContact O-CB 3.26Å; T160-A164 WeakPolarHBondContact O-CB 3.29Å; T160-A164 PolarHBondContact O-N 3.22Å; K161-A164 PolarHBondContact O-N 3.35Å; A164-A166 VanDerWaalsContact C-N 3.32Å; A164-A166 PolarHBondContact O-N 3.31Å; A164-A167 PolarHBondContact O-N 3Å; A164-W168 PolarHBondContact O-N 2.87Å
165	A	97.9	Very high	97.4	Very high	6 Å²	6	47 Å²	47	5%	0.05	26%	0.256	C	S	.	.	H	α-helix	trans	-63.9	-37.4	175.6	0	0	0	0	0	111.9	M150 K161 D162 E163 W168 R169	M150-A165 HydrophobicContact CB-CB 4.36Å; M150-A165 HydrophobicContact CG-CB 4.07Å; K161-A165 WeakPolarHBondContact O-CB 3.39Å; K161-A165 PolarHBondContact O-N 3.07Å; D162-A165 PolarHBondContact O-N 3.31Å; E163-A165 PolarHBondContact O-N 3.42Å; A165-W168 PolarHBondContact O-N 3.45Å; A165-R169 WeakPolarHBondContact O-CB 3.1Å; A165-R169 PolarHBondContact O-N 3.22Å
166	A	97.5	Very high	97.7	Very high	36 Å²	36	40.1 Å²	40.1	30%	0.298	22%	0.219	S	C	.	.	H	α-helix	trans	-65.2	-44.1	173.7	0	0	0	0	0	111.9	D162 E163 A164 W168 R169 T170	D162-A166 WeakPolarHBondContact O-CB 3.45Å; D162-A166 PolarHBondContact O-N 3.46Å; E163-A166 PolarHBondContact O-N 3.05Å; A164-A166 VanDerWaalsContact C-N 3.32Å; A164-A166 PolarHBondContact O-N 3.31Å; A166-W168 VanDerWaalsContact C-N 3.35Å; A166-W168 PolarHBondContact O-N 3.02Å; A166-R169 WeakPolarHBondContact O-CB 3.44Å; A166-R169 PolarHBondContact O-N 2.86Å; A166-T170 PolarHBondContact O-N 3.25Å; A166-T170 PolarHBondContact O-OG1 3.46Å
167	A	98.2	Very high	97.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-61	-42.9	175.4	0	0	0	0	0	111.8	L30 E34 L38 E163 A164 R169 T170 L171	L30-A167 HydrophobicContact CD2-CB 4.1Å; E34-A167 HydrophobicContact CB-CB 4.01Å; E34-A167 HydrophobicContact CG-CB 4.48Å; L38-A167 HydrophobicContact CD2-CB 3.96Å; L38-A167 HydrophobicContact CG-CB 4.01Å; E163-A167 PolarHBondContact O-N 3.35Å; A164-A167 PolarHBondContact O-N 3Å; A167-R169 VanDerWaalsContact C-N 3.34Å; A167-R169 PolarHBondContact O-N 2.86Å; A167-T170 WeakPolarHBondContact O-CB 3.36Å; A167-T170 PolarHBondContact O-N 2.72Å; A167-L171 PolarHBondContact O-N 3.45Å
168	W	98.2	Very high	97.8	Very high	3 Å²	3	37.1 Å²	37.1	1%	0.011	21%	0.206	C	C	.	.	H	α-helix	trans	-62.2	-39.9	174.5	-85.5	113.4	0	0	0	112.6	L38 S41 W42 I98 L102 M146 M150 A164 A165 A166 T170 L171 A172	L38-W168 HydrophobicContact CD2-CB 4.35Å; L38-W168 HydrophobicContact CD2-CD2 3.48Å; L38-W168 VanDerWaalsContact CD2-CD2 3.48Å; L38-W168 HydrophobicContact CD2-CE3 3.84Å; L38-W168 HydrophobicContact CD2-CG 3.71Å; L38-W168 HydrophobicContact CD2-CZ2 4.19Å; L38-W168 HydrophobicContact CD2-CZ3 4.34Å; S41-W168 PolarHBondContact OG-NE1 2.65Å; W42-W168 HydrophobicContact CB-CZ2 4.17Å; W42-W168 HydrophobicContact CD2-CH2 4.05Å; W42-W168 HydrophobicContact CD2-CZ2 4.3Å; W42-W168 AromaticContact CE3-CH2 3.28Å; W42-W168 HydrophobicContact CE3-CH2 3.28Å; W42-W168 AromaticContact CE3-CZ2 3.54Å; W42-W168 HydrophobicContact CE3-CZ2 3.54Å; W42-W168 HydrophobicContact CE3-CZ3 4.4Å; W42-W168 AromaticContact CZ3-CH2 3.77Å; W42-W168 HydrophobicContact CZ3-CH2 3.77Å; W42-W168 HydrophobicContact CZ3-CZ2 4.31Å; I98-W168 HydrophobicContact CG2-CH2 3.9Å; I98-W168 HydrophobicContact CG2-CZ3 3.44Å; I98-W168 VanDerWaalsContact CG2-CZ3 3.44Å; L102-W168 HydrophobicContact CD1-CH2 3.73Å; L102-W168 HydrophobicContact CD1-CZ2 4.4Å; L102-W168 HydrophobicContact CD2-CH2 4.09Å; L102-W168 HydrophobicContact CD2-CZ3 4.45Å; L102-W168 HydrophobicContact CG-CH2 4.11Å; M146-W168 HydrophobicContact CB-CB 3.97Å; M146-W168 HydrophobicContact CB-CG 4.16Å; M146-W168 HydrophobicContact CE-CD2 3.93Å; M146-W168 HydrophobicContact CE-CE3 3.43Å; M146-W168 VanDerWaalsContact CE-CE3 3.43Å; M146-W168 HydrophobicContact CE-CH2 3.75Å; M146-W168 HydrophobicContact CE-CZ2 4.25Å; M146-W168 HydrophobicContact CE-CZ3 3.35Å; M146-W168 HydrophobicContact CG-CB 4.19Å; M146-W168 HydrophobicContact CG-CD2 4.14Å; M146-W168 HydrophobicContact CG-CE3 4.19Å; M146-W168 HydrophobicContact CG-CG 4.16Å; M146-W168 HydrophobicContact SD-CD2 3.63Å; M146-W168 HydrophobicContact SD-CE3 3.79Å; M146-W168 HydrophobicContact SD-CG 4.07Å; M146-W168 HydrophobicContact SD-CH2 4.36Å; M146-W168 HydrophobicContact SD-CZ2 4.27Å; M146-W168 HydrophobicContact SD-CZ3 4.16Å; M150-W168 VanDerWaalsContact SD-CD1 3.55Å; A164-W168 PolarHBondContact O-N 2.87Å; A165-W168 PolarHBondContact O-N 3.45Å; A166-W168 VanDerWaalsContact C-N 3.35Å; A166-W168 PolarHBondContact O-N 3.02Å; W168-T170 VanDerWaalsContact C-N 3.35Å; W168-L171 HydrophobicContact CE3-CD2 4.16Å; W168-L171 HydrophobicContact CZ3-CD2 3.79Å; W168-L171 PolarHBondContact O-N 2.86Å; W168-A172 VanDerWaalsContact O-CB 3.29Å; W168-A172 WeakPolarHBondContact O-CB 3.37Å; W168-A172 PolarHBondContact O-N 3.37Å
169	R	98	Very high	97.8	Very high	120 Å²	120	32.3 Å²	32.3	45%	0.453	18%	0.18	S	C	.	.	H	α-helix	trans	-60.6	-44.2	174.1	-177.4	-175	-64.7	115.9	-0.8	111.5	V143 A165 A166 A167 A172 A173	V143-R169 HydrophobicContact CG1-CB 4.49Å; V143-R169 HydrophobicContact CG1-CG 4.33Å; V143-R169 HydrophobicContact CG2-CB 4.23Å; V143-R169 HydrophobicContact CG2-CG 3.95Å; A165-R169 WeakPolarHBondContact O-CB 3.1Å; A165-R169 PolarHBondContact O-N 3.22Å; A166-R169 WeakPolarHBondContact O-CB 3.44Å; A166-R169 PolarHBondContact O-N 2.86Å; A167-R169 VanDerWaalsContact C-N 3.34Å; A167-R169 PolarHBondContact O-N 2.86Å; R169-A172 PolarHBondContact O-N 3.3Å; R169-A173 WeakPolarHBondContact O-CB 3.26Å; R169-A173 PolarHBondContact O-N 3.11Å
170	T	97.8	Very high	97.9	Very high	54 Å²	54	33.3 Å²	33.3	33%	0.331	17%	0.173	S	C	.	.	H	α-helix	trans	-61	-46.1	176.5	-63	0	0	0	0	111.7	V28 L30 A166 A167 W168 A173 H174	V28-T170 HydrophobicContact CG1-CG2 4.23Å; L30-T170 HydrophobicContact CD2-CG2 3.92Å; L30-T170 HydrophobicContact CG-CG2 4.14Å; A166-T170 PolarHBondContact O-N 3.25Å; A166-T170 PolarHBondContact O-OG1 3.46Å; A167-T170 WeakPolarHBondContact O-CB 3.36Å; A167-T170 PolarHBondContact O-N 2.72Å; W168-T170 VanDerWaalsContact C-N 3.35Å; T170-A173 PolarHBondContact O-N 3.04Å; T170-H174 PolarHBondContact O-N 3.32Å; T170-H174 VanDerWaalsContact O-N 3.08Å
171	L	97.7	Very high	97.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-64.1	-45.2	177	-179.4	56.4	0	0	0	111.9	V28 L38 A101 L102 L105 A167 W168 A173 H174 I175	V28-L171 HydrophobicContact CG2-CD1 4.48Å; L38-L171 HydrophobicContact CD1-CB 4.37Å; L38-L171 HydrophobicContact CD1-CD2 4.07Å; L38-L171 HydrophobicContact CD2-CD2 4.42Å; A101-L171 HydrophobicContact CB-CD1 4.12Å; L102-L171 HydrophobicContact CD2-CD2 3.61Å; L102-L171 HydrophobicContact CG-CD2 4.11Å; L105-L171 HydrophobicContact CD2-CD1 3.9Å; A167-L171 PolarHBondContact O-N 3.45Å; W168-L171 HydrophobicContact CE3-CD2 4.16Å; W168-L171 HydrophobicContact CZ3-CD2 3.79Å; W168-L171 PolarHBondContact O-N 2.86Å; L171-A173 VanDerWaalsContact C-N 3.35Å; L171-A173 PolarHBondContact O-N 2.94Å; L171-H174 PolarHBondContact O-N 3.47Å; L171-I175 HydrophobicContact CD1-CD1 4.27Å; L171-I175 HydrophobicContact CD1-CG1 4.32Å; L171-I175 HydrophobicContact CG-CD1 3.99Å; L171-I175 VanDerWaalsContact O-CG1 3.31Å; L171-I175 WeakPolarHBondContact O-CG1 3.21Å; L171-I175 PolarHBondContact O-N 3.49Å
172	A	98.3	Very high	97.8	Very high	2 Å²	2	34.4 Å²	34.4	2%	0.017	18%	0.177	C	C	.	.	H	α-helix	trans	-60.2	-44	177.7	0	0	0	0	0	111.7	L139 I142 V143 W168 R169 H174 I175 I176	L139-A172 HydrophobicContact CD1-CB 3.8Å; I142-A172 HydrophobicContact CB-CB 4.16Å; I142-A172 HydrophobicContact CG2-CB 3.57Å; V143-A172 HydrophobicContact CG2-CB 4.19Å; W168-A172 VanDerWaalsContact O-CB 3.29Å; W168-A172 WeakPolarHBondContact O-CB 3.37Å; W168-A172 PolarHBondContact O-N 3.37Å; R169-A172 PolarHBondContact O-N 3.3Å; A172-H174 VanDerWaalsContact C-N 3.33Å; A172-H174 PolarHBondContact O-N 3.4Å; A172-I175 PolarHBondContact O-N 3.25Å; A172-I176 WeakPolarHBondContact O-CG1 3.3Å; A172-I176 PolarHBondContact O-N 3.04Å
173	A	97.5	Very high	97.8	Very high	34 Å²	34	30.1 Å²	30.1	28%	0.281	15%	0.153	S	C	.	.	H	α-helix	trans	-60.3	-42.2	176.4	0	0	0	0	0	111.7	L139 R169 T170 L171 T177	L139-A173 HydrophobicContact CD1-CB 4.28Å; R169-A173 WeakPolarHBondContact O-CB 3.26Å; R169-A173 PolarHBondContact O-N 3.11Å; T170-A173 PolarHBondContact O-N 3.04Å; L171-A173 VanDerWaalsContact C-N 3.35Å; L171-A173 PolarHBondContact O-N 2.94Å; A173-T177 VanDerWaalsContact O-CB 3.22Å; A173-T177 WeakPolarHBondContact O-CB 3.18Å; A173-T177 PolarHBondContact O-N 2.65Å; A173-T177 PolarHBondContact O-OG1 2.94Å
174	H	97.5	Very high	97.7	Very high	19 Å²	19	28.5 Å²	28.5	9%	0.088	15%	0.148	C	C	.	.	H	α-helix	trans	-64.4	-47.3	175.3	-174	85.7	0	0	0	112.2	V28 N112 T170 L171 A172 I176 T177 Q178	V28-H174 HydrophobicContact CG1-CB 4.43Å; V28-H174 HydrophobicContact CG2-CB 3.95Å; V28-H174 WeakPolarHBondContact CG2-CD2 3.5Å; V28-H174 VanDerWaalsContact CG2-CG 3.45Å; N112-H174 PolarHBondContact OD1-CE1 2.73Å; N112-H174 PolarHBondContact OD1-NE2 2.76Å; T170-H174 PolarHBondContact O-N 3.32Å; T170-H174 VanDerWaalsContact O-N 3.08Å; L171-H174 PolarHBondContact O-N 3.47Å; A172-H174 VanDerWaalsContact C-N 3.33Å; A172-H174 PolarHBondContact O-N 3.4Å; H174-I176 VanDerWaalsContact C-N 3.34Å; H174-I176 PolarHBondContact O-N 3.22Å; H174-T177 PolarHBondContact O-N 3.28Å; H174-Q178 PolarHBondContact CE1-NE2 2.91Å; H174-Q178 WeakPolarHBondContact O-CG 3.24Å; H174-Q178 PolarHBondContact O-N 3.42Å
175	I	98.3	Very high	97.6	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.021	17%	0.17	C	C	.	.	H	α-helix	trans	-51.2	-55	176.9	-72.4	169.2	0	0	0	110.2	V97 I98 A101 L115 L171 A172 Q178 M179	V97-I175 HydrophobicContact CG1-CG2 4.27Å; I98-I175 HydrophobicContact CG1-CD1 4.47Å; A101-I175 HydrophobicContact CB-CD1 3.56Å; A101-I175 HydrophobicContact CB-CG1 3.78Å; L115-I175 HydrophobicContact CD1-CG1 4.36Å; L115-I175 HydrophobicContact CD2-CB 4.28Å; L115-I175 HydrophobicContact CD2-CG1 4.23Å; L115-I175 HydrophobicContact CD2-CG2 3.85Å; L171-I175 HydrophobicContact CD1-CD1 4.27Å; L171-I175 HydrophobicContact CD1-CG1 4.32Å; L171-I175 HydrophobicContact CG-CD1 3.99Å; L171-I175 VanDerWaalsContact O-CG1 3.31Å; L171-I175 WeakPolarHBondContact O-CG1 3.21Å; L171-I175 PolarHBondContact O-N 3.49Å; A172-I175 PolarHBondContact O-N 3.25Å; I175-Q178 PolarHBondContact O-N 3.08Å; I175-M179 HydrophobicContact CG2-SD 3.75Å; I175-M179 VanDerWaalsContact O-CG 3.28Å; I175-M179 WeakPolarHBondContact O-CG 3.33Å; I175-M179 PolarHBondContact O-N 3.37Å
176	I	98.2	Very high	97.5	Very high	6 Å²	6	33.9 Å²	33.9	3%	0.031	17%	0.172	C	C	.	.	H	α-helix	trans	-67.5	-39.1	-176.8	-63.8	-57.7	0	0	0	111.7	W135 F138 L139 I142 A172 H174 Q178 M179 R180	W135-I176 HydrophobicContact CB-CG2 3.86Å; W135-I176 HydrophobicContact CE3-CD1 4.27Å; W135-I176 HydrophobicContact CE3-CG2 4.37Å; W135-I176 WeakPolarHBondContact O-CG2 3.45Å; F138-I176 HydrophobicContact CB-CD1 3.7Å; F138-I176 HydrophobicContact CD2-CD1 4.5Å; L139-I176 HydrophobicContact CB-CB 4.44Å; L139-I176 HydrophobicContact CB-CG1 4.05Å; L139-I176 HydrophobicContact CB-CG2 4.33Å; L139-I176 HydrophobicContact CD1-CG1 4.41Å; I142-I176 HydrophobicContact CD1-CD1 4Å; I142-I176 HydrophobicContact CD1-CG1 4.2Å; A172-I176 WeakPolarHBondContact O-CG1 3.3Å; A172-I176 PolarHBondContact O-N 3.04Å; H174-I176 VanDerWaalsContact C-N 3.34Å; H174-I176 PolarHBondContact O-N 3.22Å; I176-Q178 PolarHBondContact O-N 2.91Å; I176-M179 HydrophobicContact CD1-SD 4.44Å; I176-M179 PolarHBondContact O-N 3.18Å; I176-R180 VanDerWaalsContact O-CB 3.22Å; I176-R180 WeakPolarHBondContact O-CB 3.36Å; I176-R180 PolarHBondContact O-N 2.9Å
177	T	97.3	Very high	97.3	Very high	62 Å²	62	33.6 Å²	33.6	38%	0.38	17%	0.165	S	C	.	.	H	α-helix	trans	-59.8	-47.5	176.9	-63.9	0	0	0	0	111.6	A173 H174 R180 H181	A173-T177 VanDerWaalsContact O-CB 3.22Å; A173-T177 WeakPolarHBondContact O-CB 3.18Å; A173-T177 PolarHBondContact O-N 2.65Å; A173-T177 PolarHBondContact O-OG1 2.94Å; H174-T177 PolarHBondContact O-N 3.28Å; T177-R180 WeakPolarHBondContact O-CB 3.46Å; T177-R180 PolarHBondContact O-N 3.43Å; T177-H181 PolarHBondContact O-N 3.44Å
178	Q	97.9	Very high	97	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.009	19%	0.19	C	C	.	.	H	α-helix	trans	-71.3	-36.7	-179.3	-59.4	-55.5	-27.1	0	0	112.4	H25 N112 L115 R116 H174 I175 I176 R180 H181 G182	H25-Q178 PolarHBondContact O-NE2 3.49Å; N112-Q178 WeakPolarHBondContact OD1-CG 3.31Å; L115-Q178 HydrophobicContact CB-CB 3.68Å; L115-Q178 HydrophobicContact CD1-CB 3.91Å; L115-Q178 HydrophobicContact CD1-CG 4.22Å; L115-Q178 HydrophobicContact CG-CB 4.47Å; R116-Q178 HydrophobicContact CG-CB 4.34Å; R116-Q178 VanDerWaalsContact CG-O 3.26Å; R116-Q178 WeakPolarHBondContact CG-O 3.32Å; R116-Q178 VanDerWaalsContact CZ-OE1 3.28Å; H174-Q178 PolarHBondContact CE1-NE2 2.91Å; H174-Q178 WeakPolarHBondContact O-CG 3.24Å; H174-Q178 PolarHBondContact O-N 3.42Å; I175-Q178 PolarHBondContact O-N 3.08Å; I176-Q178 PolarHBondContact O-N 2.91Å; Q178-R180 VanDerWaalsContact C-N 3.35Å; Q178-H181 PolarHBondContact O-N 3.03Å; Q178-H181 PolarHBondContact OE1-ND1 3.02Å; Q178-G182 PolarHBondContact O-N 3.05Å
179	M	98.3	Very high	96.5	Very high	14 Å²	14	47 Å²	47	7%	0.069	22%	0.219	C	C	.	.	H	α-helix	trans	-62.8	-42.1	171.4	-69.1	172.3	79.7	0	0	111.3	L115 I118 G119 W135 I175 I176 H181 G182 Y183	L115-M179 HydrophobicContact CB-CG 4.18Å; L115-M179 HydrophobicContact CD2-CG 4.13Å; L115-M179 HydrophobicContact CD2-SD 4.38Å; L115-M179 WeakPolarHBondContact O-CG 3.41Å; I118-M179 HydrophobicContact CB-CE 4.29Å; I118-M179 HydrophobicContact CG2-CE 3.5Å; G119-M179 WeakPolarHBondContact CA-O 3.35Å; W135-M179 HydrophobicContact CE3-CB 4.17Å; W135-M179 HydrophobicContact CH2-CB 3.78Å; W135-M179 HydrophobicContact CH2-CE 3.9Å; W135-M179 HydrophobicContact CZ3-CB 3.54Å; W135-M179 HydrophobicContact CZ3-CE 3.54Å; W135-M179 HydrophobicContact CZ3-CG 4.36Å; W135-M179 HydrophobicContact CZ3-SD 4.06Å; I175-M179 HydrophobicContact CG2-SD 3.75Å; I175-M179 VanDerWaalsContact O-CG 3.28Å; I175-M179 WeakPolarHBondContact O-CG 3.33Å; I175-M179 PolarHBondContact O-N 3.37Å; I176-M179 HydrophobicContact CD1-SD 4.44Å; I176-M179 PolarHBondContact O-N 3.18Å; M179-H181 PolarHBondContact O-N 3.37Å; M179-G182 PolarHBondContact O-N 3.38Å; M179-Y183 PolarHBondContact O-N 2.87Å
180	R	97.9	Very high	95.6	Very high	93 Å²	93	45.6 Å²	45.6	35%	0.351	23%	0.228	S	C	.	.	H	α-helix	trans	-60.8	-42.9	175	-173.5	176.7	-176.5	153.1	0.7	111.6	M132 W135 D136 I176 T177 Q178 G182 Y183 V184	M132-R180 HydrophobicContact CE-CG 4.08Å; W135-R180 HydrophobicContact CG-CB 4.33Å; W135-R180 HydrophobicContact CG-CG 4.46Å; D136-R180 IonicContact OD1-NH1 3.08Å; D136-R180 PolarHBondContact OD1-NH1 3.03Å; D136-R180 VanDerWaalsContact OD1-NH1 3.08Å; D136-R180 IonicContact OD2-NH1 3.87Å; I176-R180 VanDerWaalsContact O-CB 3.22Å; I176-R180 WeakPolarHBondContact O-CB 3.36Å; I176-R180 PolarHBondContact O-N 2.9Å; T177-R180 WeakPolarHBondContact O-CB 3.46Å; T177-R180 PolarHBondContact O-N 3.43Å; Q178-R180 VanDerWaalsContact C-N 3.35Å; R180-G182 VanDerWaalsContact C-N 3.35Å; R180-G182 PolarHBondContact O-N 3.08Å; R180-Y183 PolarHBondContact O-N 2.91Å; R180-V184 WeakPolarHBondContact O-CG2 3.35Å; R180-V184 PolarHBondContact O-N 3.48Å
181	H	96.9	Very high	94.2	Very high	93 Å²	93	46.4 Å²	46.4	43%	0.431	23%	0.227	S	C	.	.	H	α-helix	trans	-58	-45.9	173.2	-70.6	161.6	0	0	0	112.3	R116 T177 Q178 M179 Y183 V184 K185	R116-H181 HydrophobicContact CG-CB 4.49Å; T177-H181 PolarHBondContact O-N 3.44Å; Q178-H181 PolarHBondContact O-N 3.03Å; Q178-H181 PolarHBondContact OE1-ND1 3.02Å; M179-H181 PolarHBondContact O-N 3.37Å; H181-Y183 PolarHBondContact O-N 2.87Å; H181-V184 PolarHBondContact O-N 3.31Å; H181-K185 WeakPolarHBondContact O-CB 3.24Å; H181-K185 PolarHBondContact O-N 3.24Å
182	G	97.3	Very high	92.5	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-58.4	-46.7	175.4	0	0	0	0	0	112.7	R116 Q120 Q178 M179 R180 K185 A186	R116-G182 VanDerWaalsContact O-CA 3.28Å; R116-G182 WeakPolarHBondContact O-CA 3.47Å; Q120-G182 WeakPolarHBondContact CG-O 3.42Å; Q178-G182 PolarHBondContact O-N 3.05Å; M179-G182 PolarHBondContact O-N 3.38Å; R180-G182 VanDerWaalsContact C-N 3.35Å; R180-G182 PolarHBondContact O-N 3.08Å; G182-K185 PolarHBondContact O-N 3.18Å; G182-A186 PolarHBondContact O-N 3.03Å
183	Y	97.5	Very high	90.4	Very high	11 Å²	11	57.5 Å²	57.5	4%	0.043	29%	0.29	C	S	.	.	H	α-helix	trans	-60.9	-50.9	177.9	177.2	-87.7	0	0	0	111.9	G119 H122 A123 F130 M132 W135 M179 R180 H181 K185 A186 M187	G119-Y183 VanDerWaalsContact O-CA 3.29Å; G119-Y183 WeakPolarHBondContact O-CA 3.28Å; G119-Y183 WeakPolarHBondContact O-CB 3.29Å; G119-Y183 PolarHBondContact O-N 3.44Å; H122-Y183 HydrophobicContact CB-CD2 4.13Å; A123-Y183 HydrophobicContact CB-CD2 4.22Å; A123-Y183 HydrophobicContact CB-CE2 4.35Å; F130-Y183 HydrophobicContact CD1-CD2 4.17Å; F130-Y183 AromaticContact CD1-CE2 3.52Å; F130-Y183 HydrophobicContact CD1-CE2 3.52Å; F130-Y183 AromaticContact CE1-CD2 3.96Å; F130-Y183 HydrophobicContact CE1-CD2 3.96Å; F130-Y183 AromaticContact CE1-CE2 3.75Å; F130-Y183 HydrophobicContact CE1-CE2 3.75Å; M132-Y183 HydrophobicContact CE-CD1 3.02Å; M132-Y183 HydrophobicContact CE-CE1 3.22Å; M132-Y183 HydrophobicContact CE-CG 3.93Å; M132-Y183 HydrophobicContact CG-CE1 4.16Å; M132-Y183 HydrophobicContact SD-CD1 3.67Å; M132-Y183 HydrophobicContact SD-CE1 3.57Å; M132-Y183 VanDerWaalsContact SD-CE1 3.57Å; W135-Y183 HydrophobicContact CZ2-CD2 4.11Å; W135-Y183 HydrophobicContact CZ2-CG 4.1Å; W135-Y183 AromaticContact NE1-CG 3.82Å; M179-Y183 PolarHBondContact O-N 2.87Å; R180-Y183 PolarHBondContact O-N 2.91Å; H181-Y183 PolarHBondContact O-N 2.87Å; Y183-K185 VanDerWaalsContact C-N 3.3Å; Y183-K185 PolarHBondContact O-N 2.88Å; Y183-A186 PolarHBondContact O-N 3.49Å; Y183-A186 VanDerWaalsContact O-N 3.16Å; Y183-M187 HydrophobicContact CD1-CG 3.81Å; Y183-M187 HydrophobicContact CD2-CG 4.44Å; Y183-M187 HydrophobicContact CE1-CG 3.44Å; Y183-M187 VanDerWaalsContact CE1-CG 3.44Å; Y183-M187 HydrophobicContact CE1-SD 4.38Å; Y183-M187 HydrophobicContact CE2-CG 4.1Å; Y183-M187 HydrophobicContact CE2-SD 4.28Å; Y183-M187 HydrophobicContact CG-CG 4.33Å; Y183-M187 WeakPolarHBondContact O-CG 3.49Å; Y183-M187 PolarHBondContact O-N 2.77Å
184	V	96.4	Very high	88.3	Confident	38 Å²	38	62 Å²	62	23%	0.23	31%	0.309	C	S	.	.	H	α-helix	trans	-60.2	-42.5	180	171	0	0	0	0	110.8	M132 R180 H181 A186 M187 K188 L195	M132-V184 HydrophobicContact CE-CG2 4.3Å; M132-V184 HydrophobicContact SD-CG2 3.72Å; R180-V184 WeakPolarHBondContact O-CG2 3.35Å; R180-V184 PolarHBondContact O-N 3.48Å; H181-V184 PolarHBondContact O-N 3.31Å; V184-A186 VanDerWaalsContact C-N 3.35Å; V184-A186 PolarHBondContact O-N 2.87Å; V184-M187 PolarHBondContact O-N 3.02Å; V184-K188 HydrophobicContact CG1-CD 4.27Å; V184-K188 HydrophobicContact CG1-CG 4.45Å; V184-K188 WeakPolarHBondContact O-CG 3.17Å; V184-K188 PolarHBondContact O-N 3.21Å; V184-L195 HydrophobicContact CG1-CD1 4.48Å
185	K	95.8	Very high	86	Confident	108 Å²	108	64.6 Å²	64.6	47%	0.47	32%	0.323	S	S	.	.	H	α-helix	trans	-60	-43	176.5	-176.4	176.9	179.9	178.3	0	112.1	H181 G182 Y183 R189	H181-K185 WeakPolarHBondContact O-CB 3.24Å; H181-K185 PolarHBondContact O-N 3.24Å; G182-K185 PolarHBondContact O-N 3.18Å; Y183-K185 VanDerWaalsContact C-N 3.3Å; Y183-K185 PolarHBondContact O-N 2.88Å; K185-R189 VanDerWaalsContact CE-NH2 3.29Å; K185-R189 WeakPolarHBondContact O-CG 3.21Å; K185-R189 PolarHBondContact O-N 3.38Å
186	A	95.5	Very high	83.3	Confident	12 Å²	12	73 Å²	73	10%	0.099	38%	0.38	C	S	.	.	H	α-helix	trans	-67.3	-43.8	175.7	0	0	0	0	0	112.1	Q120 A123 G182 Y183 V184 K188 R189 S190	Q120-A186 HydrophobicContact CB-CB 4.08Å; Q120-A186 HydrophobicContact CG-CB 4.04Å; A123-A186 HydrophobicContact CB-CB 3.57Å; G182-A186 PolarHBondContact O-N 3.03Å; Y183-A186 PolarHBondContact O-N 3.49Å; Y183-A186 VanDerWaalsContact O-N 3.16Å; V184-A186 VanDerWaalsContact C-N 3.35Å; V184-A186 PolarHBondContact O-N 2.87Å; A186-K188 PolarHBondContact O-N 3.37Å; A186-R189 WeakPolarHBondContact O-CB 3.2Å; A186-R189 PolarHBondContact O-N 2.93Å; A186-R189 VanDerWaalsContact O-N 3.12Å; A186-S190 PolarHBondContact O-N 2.6Å; A186-S190 PolarHBondContact O-OG 2.65Å
187	M	93	Very high	82.5	Confident	29 Å²	29	76.3 Å²	76.3	14%	0.143	40%	0.397	C	S	.	.	H	α-helix	trans	-62	-40.3	179	-70.6	-60.4	-67.8	0	0	112.4	A123 A126 Y183 V184 R189 S190 K191 L195	A123-M187 HydrophobicContact CB-CG 4.27Å; A123-M187 HydrophobicContact CB-SD 3.91Å; A126-M187 HydrophobicContact CB-CE 3.91Å; A126-M187 HydrophobicContact CB-SD 3.84Å; Y183-M187 HydrophobicContact CD1-CG 3.81Å; Y183-M187 HydrophobicContact CD2-CG 4.44Å; Y183-M187 HydrophobicContact CE1-CG 3.44Å; Y183-M187 VanDerWaalsContact CE1-CG 3.44Å; Y183-M187 HydrophobicContact CE1-SD 4.38Å; Y183-M187 HydrophobicContact CE2-CG 4.1Å; Y183-M187 HydrophobicContact CE2-SD 4.28Å; Y183-M187 HydrophobicContact CG-CG 4.33Å; Y183-M187 WeakPolarHBondContact O-CG 3.49Å; Y183-M187 PolarHBondContact O-N 2.77Å; V184-M187 PolarHBondContact O-N 3.02Å; M187-R189 VanDerWaalsContact C-N 3.29Å; M187-R189 PolarHBondContact O-N 3.35Å; M187-S190 PolarHBondContact O-N 2.91Å; M187-K191 HydrophobicContact CE-CD 4.42Å; M187-K191 CarbonylContact O-C 3.54Å; M187-K191 WeakPolarHBondContact O-CA 3.29Å; M187-K191 PolarHBondContact O-N 3.13Å; M187-L195 HydrophobicContact CB-CD1 3.87Å
188	K	91.4	Very high	81.7	Confident	118 Å²	118	77.1 Å²	77.1	51%	0.513	40%	0.398	S	S	.	.	H	α-helix	trans	-62.3	-33.9	174.6	-72.7	-176.3	178.1	-173.6	0	112.9	V184 A186 P192 L195	V184-K188 HydrophobicContact CG1-CD 4.27Å; V184-K188 HydrophobicContact CG1-CG 4.45Å; V184-K188 WeakPolarHBondContact O-CG 3.17Å; V184-K188 PolarHBondContact O-N 3.21Å; A186-K188 PolarHBondContact O-N 3.37Å; K188-P192 VanDerWaalsContact O-CA 3.32Å; K188-P192 WeakPolarHBondContact O-CA 3.32Å; K188-L195 HydrophobicContact CB-CD1 4.42Å; K188-L195 HydrophobicContact CD-CD1 4.49Å; K188-L195 HydrophobicContact CG-CB 4.43Å; K188-L195 HydrophobicContact CG-CD1 3.43Å; K188-L195 VanDerWaalsContact CG-CD1 3.43Å
189	R	87.5	Confident	80.8	Confident	167 Å²	167	81.2 Å²	81.2	63%	0.63	42%	0.42	S	S	*	.	H	α-helix	trans	-71.8	-40.3	177.1	-71	170	173.4	-175.9	-8.2	112	K185 A186 M187	K185-R189 VanDerWaalsContact CE-NH2 3.29Å; K185-R189 WeakPolarHBondContact O-CG 3.21Å; K185-R189 PolarHBondContact O-N 3.38Å; A186-R189 WeakPolarHBondContact O-CB 3.2Å; A186-R189 PolarHBondContact O-N 2.93Å; A186-R189 VanDerWaalsContact O-N 3.12Å; M187-R189 VanDerWaalsContact C-N 3.29Å; M187-R189 PolarHBondContact O-N 3.35Å
190	S	79.8	Confident	79.8	Confident	91 Å²	91	85.2 Å²	85.2	64%	0.636	44%	0.441	S	S	*	.	H	α-helix	trans	-84.9	-27.5	-177.5	-56.1	0	0	0	0	113.6	A186 M187	A186-S190 PolarHBondContact O-N 2.6Å; A186-S190 PolarHBondContact O-OG 2.65Å; M187-S190 PolarHBondContact O-N 2.91Å
191	K	68.6	Low	78.7	Confident	71 Å²	71	84.7 Å²	84.7	31%	0.309	45%	0.446	S	S	.	.			trans	-144.5	70	-173.7	-61.1	-169.2	-173.7	-172.8	0	110.4	E127 M187 N193 L194	E127-K191 IonicContact OE1-NZ 3.34Å; E127-K191 PolarHBondContact OE1-NZ 3.34Å; M187-K191 HydrophobicContact CE-CD 4.42Å; M187-K191 CarbonylContact O-C 3.54Å; M187-K191 WeakPolarHBondContact O-CA 3.29Å; M187-K191 PolarHBondContact O-N 3.13Å; K191-N193 PolarHBondContact O-N 3.4Å; K191-N193 VanDerWaalsContact O-N 3.11Å; K191-L194 HydrophobicContact CB-CB 4.22Å; K191-L194 HydrophobicContact CB-CD1 3.86Å; K191-L194 HydrophobicContact CD-CD1 3.65Å; K191-L194 HydrophobicContact CG-CD1 4.2Å; K191-L194 PolarHBondContact O-N 3.45Å
192	P	61.4	Low	77.5	Confident	89 Å²	89	84.1 Å²	84.1	58%	0.578	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-58.9	-28.1	-172.8	21.6	-32.5	0	0	0	113.9	K188	K188-P192 VanDerWaalsContact O-CA 3.32Å; K188-P192 WeakPolarHBondContact O-CA 3.32Å
193	N	55.2	Low	76	Confident	145 Å²	145	90.1 Å²	90.1	78%	0.775	48%	0.478	S	S	*	.	G	3₁₀ helix	trans	-88.5	2.5	-173.3	-59.7	-13.6	0	0	0	115	K191	K191-N193 PolarHBondContact O-N 3.4Å; K191-N193 VanDerWaalsContact O-N 3.11Å
194	L	52.8	Low	74.4	Confident	130 Å²	130	96.2 Å²	96.2	68%	0.681	51%	0.512	S	S	*	.	G	3₁₀ helix	trans	-106.6	4.2	-170.9	-97.1	151.5	0	0	0	114.5	K191	K191-L194 HydrophobicContact CB-CB 4.22Å; K191-L194 HydrophobicContact CB-CD1 3.86Å; K191-L194 HydrophobicContact CD-CD1 3.65Å; K191-L194 HydrophobicContact CG-CD1 4.2Å; K191-L194 PolarHBondContact O-N 3.45Å
195	L	49.1	Very low	72.6	Confident	73 Å²	73	101 Å²	101	38%	0.382	54%	0.535	S	S	.	.			trans	-129	22.7	-174.5	-71.9	167.2	0	0	0	113.3	V184 M187 K188	V184-L195 HydrophobicContact CG1-CD1 4.48Å; M187-L195 HydrophobicContact CB-CD1 3.87Å; K188-L195 HydrophobicContact CB-CD1 4.42Å; K188-L195 HydrophobicContact CD-CD1 4.49Å; K188-L195 HydrophobicContact CG-CB 4.43Å; K188-L195 HydrophobicContact CG-CD1 3.43Å; K188-L195 VanDerWaalsContact CG-CD1 3.43Å
196	C	40.8	Very low	70.5	Confident	179 Å²	179	100.4 Å²	100.4	100%	1.209	54%	0.541	S	S	*	.			trans	-73.8	0	169.4	-19.4	0	0	0	0	110.5

Retrieved 196 of 196 residues in 105.1 ms (Link to these results)

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