A0A5K4FE45_SCHMA Loading...

Tektin

AlphaFold DB , UniProt , Accession A0A5K4FE45, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 241 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	37.8	Very low	36.7	Very low	225 Å²	225	165.5 Å²	165.5	100%	1.108	84%	0.837	S	S	*	*				0	92.5	0	-65.5	-178.6	-160.9	0	0	107.3
2	T	35.2	Very low	36.6	Very low	145 Å²	145	166.8 Å²	166.8	89%	0.89	85%	0.846	S	S	*	*			trans	-109.2	119.1	-175.8	16.8	0	0	0	0	108.1
3	Y	35.8	Very low	36.3	Very low	223 Å²	223	162.6 Å²	162.6	88%	0.875	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-65.8	129.9	-170.4	-70.5	-92.1	0	0	0	111.1	T5	Y3-T5 PolarHBondContact O-N 2.94Å
4	Q	35.9	Very low	36.4	Very low	185 Å²	185	157.4 Å²	157.4	86%	0.864	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-60.3	124.5	173.2	-71.2	171.4	-25.4	0	0	109.8	T6	Q4-T6 PolarHBondContact O-N 3.1Å
5	T	36.4	Very low	36.2	Very low	129 Å²	129	158.2 Å²	158.2	79%	0.791	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-62.1	124.8	165	47.8	0	0	0	0	108.8	Y3 P7	Y3-T5 PolarHBondContact O-N 2.94Å; T5-P7 VanDerWaalsContact C-CD 3.46Å; T5-P7 WeakPolarHBondContact O-CD 3.08Å
6	T	35.8	Very low	36	Very low	142 Å²	142	162.4 Å²	162.4	87%	0.871	83%	0.825	S	S	*	*			trans	-92.9	94.7	167.7	35.5	0	0	0	0	109.8	Q4	Q4-T6 PolarHBondContact O-N 3.1Å
7	P	36.8	Very low	36.1	Very low	91 Å²	91	159.6 Å²	159.6	59%	0.591	80%	0.803	S	S	*	*			trans	-84.7	156.7	163.9	34.6	-32.7	0	0	0	109.7	T5	T5-P7 VanDerWaalsContact C-CD 3.46Å; T5-P7 WeakPolarHBondContact O-CD 3.08Å
8	Y	40.8	Very low	36	Very low	205 Å²	205	162.3 Å²	162.3	80%	0.804	80%	0.802	S	S	*	*			trans	90.3	59.3	175.8	-58.3	-80.9	0	0	0	117.1	K10	Y8-K10 PolarHBondContact O-N 3.08Å
9	M	35.2	Very low	35.8	Very low	192 Å²	192	161.2 Å²	161.2	95%	0.946	81%	0.805	S	S	*	*			trans	-62.8	88.8	137.5	-84.8	-97.1	179.3	0	0	108
10	K	36.7	Very low	35.9	Very low	174 Å²	174	160.6 Å²	160.6	76%	0.757	79%	0.794	S	S	*	*			trans	-61.2	127.6	163.8	-86	-177.4	177.5	177.2	0	107.4	Y8 L12	Y8-K10 PolarHBondContact O-N 3.08Å; K10-L12 PolarHBondContact O-N 3.04Å
11	P	37.5	Very low	35.8	Very low	109 Å²	109	157.3 Å²	157.3	71%	0.708	79%	0.787	S	S	*	*			trans	-61.9	127.9	177.2	23.5	-30.2	0	0	0	109.2	V13	P11-V13 HydrophobicContact CB-CG2 4.21Å; P11-V13 HydrophobicContact CG-CG2 4.43Å; P11-V13 PolarHBondContact O-N 2.87Å
12	L	35.8	Very low	35.6	Very low	181 Å²	181	154.1 Å²	154.1	95%	0.948	78%	0.775	S	S	*	*			trans	-63.8	65.9	169.5	-80.5	146	0	0	0	109.9	K10 S14	K10-L12 PolarHBondContact O-N 3.04Å; L12-S14 PolarHBondContact O-N 3.43Å
13	V	31.9	Very low	35.5	Very low	113 Å²	113	150.4 Å²	150.4	69%	0.685	76%	0.755	S	S	*	*			trans	-78.2	106.2	168.7	-175.6	0	0	0	0	106.5	P11 L15	P11-V13 HydrophobicContact CB-CG2 4.21Å; P11-V13 HydrophobicContact CG-CG2 4.43Å; P11-V13 PolarHBondContact O-N 2.87Å; V13-L15 PolarHBondContact O-N 2.75Å
14	S	37.6	Very low	35.3	Very low	90 Å²	90	148.3 Å²	148.3	63%	0.629	75%	0.753	S	S	*	*			trans	-39.4	101.3	175.4	176.4	0	0	0	0	112	L12 R16	L12-S14 PolarHBondContact O-N 3.43Å; S14-R16 PolarHBondContact O-N 3.19Å
15	L	34.7	Very low	35	Very low	169 Å²	169	145.4 Å²	145.4	89%	0.885	75%	0.752	S	S	*	*			trans	-76.4	26.5	175.4	-111.9	138.9	0	0	0	112.2	V13 Y17	V13-L15 PolarHBondContact O-N 2.75Å; L15-Y17 PolarHBondContact O-N 2.82Å
16	R	33	Very low	35.1	Very low	226 Å²	226	142.4 Å²	142.4	85%	0.853	73%	0.728	S	S	*	*			trans	-81.7	56.6	169.1	-66.9	-170.3	-174.6	-171.8	3.1	110.4	S14	S14-R16 PolarHBondContact O-N 3.19Å
17	Y	37.5	Very low	35.2	Very low	114 Å²	114	143.8 Å²	143.8	45%	0.447	73%	0.725	S	S	.	*			trans	-110.9	106.6	153.9	-103.7	-96.4	0	0	0	105.6	L15 T19	L15-Y17 PolarHBondContact O-N 2.82Å; Y17-T19 PolarHBondContact O-N 3.48Å
18	R	34.3	Very low	35.4	Very low	208 Å²	208	147.7 Å²	147.7	79%	0.785	74%	0.741	S	S	*	*			trans	-60.8	109.1	175.2	-70.4	-179.8	176.5	-175.7	-1.3	107.3	Y20	R18-Y20 PolarHBondContact O-N 3.18Å; R18-Y20 VanDerWaalsContact O-N 3.12Å
19	T	32.4	Very low	35.9	Very low	141 Å²	141	144.4 Å²	144.4	87%	0.865	73%	0.731	S	S	*	*			trans	-65.6	103.4	165.9	41	0	0	0	0	107.5	Y17	Y17-T19 PolarHBondContact O-N 3.48Å
20	Y	37.2	Very low	36.9	Very low	149 Å²	149	137.5 Å²	137.5	58%	0.584	70%	0.697	S	S	*	*			trans	-75.6	131.8	167.7	-103.3	-83.9	0	0	0	109.7	R18	R18-Y20 PolarHBondContact O-N 3.18Å; R18-Y20 VanDerWaalsContact O-N 3.12Å
21	S	34.7	Very low	38.7	Very low	92 Å²	92	136.3 Å²	136.3	64%	0.643	70%	0.699	S	S	*	*			trans	-62	140.3	166.4	34.6	0	0	0	0	110.2	S23	S21-S23 PolarHBondContact O-N 3.04Å
22	N	33.5	Very low	41.1	Very low	159 Å²	159	132.6 Å²	132.6	85%	0.85	68%	0.675	S	S	*	*			trans	-64.9	73.3	173.1	-74.6	-21.6	0	0	0	110.3	Q24	N22-Q24 PolarHBondContact O-N 3.29Å
23	S	32.9	Very low	43.9	Very low	67 Å²	67	126.6 Å²	126.6	47%	0.469	64%	0.643	S	S	.	*			trans	-89.4	106.6	174.6	54.6	0	0	0	0	111	S21	S21-S23 PolarHBondContact O-N 3.04Å
24	Q	31.1	Very low	46.9	Very low	179 Å²	179	121.6 Å²	121.6	84%	0.836	61%	0.613	S	S	*	*	S	Bend	trans	60.7	114.8	133.2	-67.7	163.2	-34.6	0	0	118.9	N22	N22-Q24 PolarHBondContact O-N 3.29Å
25	C	29	Very low	49.6	Very low	124 Å²	124	121.7 Å²	121.7	84%	0.838	60%	0.603	S	S	*	*			trans	51.4	86.6	155.4	-82.4	0	0	0	0	117.3
26	E	39	Very low	52.4	Low	65 Å²	65	119 Å²	119	30%	0.304	58%	0.584	S	S	.	*			trans	-81.9	-14.6	173.5	-74.7	-162.8	156.5	0	0	114.7	D28 N30 R60	E26-D28 PolarHBondContact O-N 3Å; E26-N30 PolarHBondContact O-ND2 3.12Å; E26-N30 PolarHBondContact O-OD1 3.02Å; E26-R60 IonicContact OE2-NH2 3.88Å; E26-R60 PolarHBondContact OE2-NH2 3.4Å; E26-R60 VanDerWaalsContact OE2-NH2 3.17Å
27	H	38	Very low	55.1	Low	172 Å²	172	108.7 Å²	108.7	80%	0.796	55%	0.546	S	S	*	.	G	3₁₀ helix	trans	-70.9	-36.6	-160.5	-73.2	-62.6	0	0	0	116.2
28	D	40.9	Very low	57.5	Low	172 Å²	172	109.4 Å²	109.4	92%	0.92	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-91.8	-7.1	-174.6	-83.1	-19.3	0	0	0	115.7	E26	E26-D28 PolarHBondContact O-N 3Å
29	K	50.4	Low	60.1	Low	137 Å²	137	100.8 Å²	100.8	60%	0.596	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-95.2	-2.9	179.3	-71.3	-177.5	-179.5	173.8	0	114	N31	K29-N31 VanDerWaalsContact C-N 3.29Å; K29-N31 PolarHBondContact O-N 2.98Å
30	N	57.3	Low	62.9	Low	46 Å²	46	99.3 Å²	99.3	25%	0.246	52%	0.52	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-2.9	-165.3	-74.3	-19.7	0	0	0	115.7	E26 R57	E26-N30 PolarHBondContact O-ND2 3.12Å; E26-N30 PolarHBondContact O-OD1 3.02Å; N30-R57 PolarHBondContact O-NE 3.32Å; N30-R57 PolarHBondContact O-NH1 2.8Å; N30-R57 PolarHBondContact O-NH2 3.47Å
31	N	73.4	Confident	65.6	Low	149 Å²	149	97.1 Å²	97.1	80%	0.797	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.2	13.7	-179.6	-71.4	-14.9	0	0	0	113.7	K29 L33	K29-N31 VanDerWaalsContact C-N 3.29Å; K29-N31 PolarHBondContact O-N 2.98Å; N31-L33 PolarHBondContact O-N 3.33Å
32	V	88.6	Confident	68.4	Low	32 Å²	32	92.7 Å²	92.7	19%	0.194	48%	0.483	C	S	.	.			trans	-63.8	130.5	173.3	176.7	0	0	0	0	109.5	R57 N206 I209 L210	V32-R57 PolarHBondContact O-NH1 3.3Å; V32-R57 PolarHBondContact O-NH2 2.99Å; V32-N206 HydrophobicContact CG1-CB 3.57Å; V32-N206 WeakPolarHBondContact CG1-OD1 3.49Å; V32-I209 HydrophobicContact CB-CG2 4.27Å; V32-I209 HydrophobicContact CG1-CB 4.42Å; V32-I209 HydrophobicContact CG1-CG2 4.27Å; V32-I209 HydrophobicContact CG2-CD1 4.48Å; V32-I209 HydrophobicContact CG2-CG2 4.24Å; V32-L210 WeakPolarHBondContact O-CD2 3.34Å
33	L	93.8	Very high	71.3	Confident	55 Å²	55	86.1 Å²	86.1	29%	0.288	45%	0.447	S	S	.	.			trans	-138.5	166.1	175.2	-68.3	178.9	0	0	0	109.1	N31 N50 I53 I54 N206	N31-L33 PolarHBondContact O-N 3.33Å; L33-N50 HydrophobicContact CD2-CB 4.16Å; L33-I53 HydrophobicContact CD2-CB 4.37Å; L33-I53 HydrophobicContact CD2-CG2 4.04Å; L33-I54 HydrophobicContact CD1-CD1 4.2Å; L33-I54 HydrophobicContact CD2-CG1 4.3Å; L33-N206 PolarHBondContact O-ND2 3.37Å
34	L	95	Very high	74.3	Confident	8 Å²	8	87.8 Å²	87.8	4%	0.042	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-80.9	147.3	172.9	-60.4	175.5	0	0	0	110.5	C46 I49 N50 Y153 N203 N206 S207 L210	L34-C46 VanDerWaalsContact C-SG 3.58Å; L34-C46 HydrophobicContact CB-CB 4.33Å; L34-C46 WeakPolarHBondContact CB-SG 3.48Å; L34-C46 PolarHBondContact O-SG 3.29Å; L34-I49 HydrophobicContact CD1-CB 4Å; L34-I49 HydrophobicContact CD1-CD1 3.81Å; L34-I49 HydrophobicContact CD1-CG2 3.74Å; L34-I49 HydrophobicContact CG-CG2 4.5Å; L34-N50 PolarHBondContact N-OD1 2.87Å; L34-N50 PolarHBondContact O-ND2 2.84Å; L34-Y153 HydrophobicContact CD1-CD1 3.71Å; L34-Y153 HydrophobicContact CD1-CE1 3.59Å; L34-Y153 HydrophobicContact CD1-CG 4.25Å; L34-Y153 HydrophobicContact CD2-CD1 4.47Å; L34-Y153 HydrophobicContact CD2-CE1 3.88Å; L34-Y153 HydrophobicContact CG-CE1 4.29Å; L34-N203 WeakPolarHBondContact CA-OD1 3.37Å; L34-N203 HydrophobicContact CD2-CB 4.47Å; L34-N206 HydrophobicContact CD2-CB 3.99Å; L34-S207 WeakPolarHBondContact CD2-OG 3.47Å; L34-L210 HydrophobicContact CD2-CD1 4.21Å; L34-L210 HydrophobicContact CG-CD1 4.02Å
35	E	94.2	Very high	77.3	Confident	92 Å²	92	81 Å²	81	43%	0.43	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-99.1	153.9	175.1	-67.1	175.6	-166	0	0	110.6	C46 T199 N203	E35-C46 PolarHBondContact O-SG 2.95Å; E35-T199 HydrophobicContact CB-CG2 3.9Å; E35-N203 PolarHBondContact N-OD1 3.06Å; E35-N203 PolarHBondContact O-ND2 2.94Å
36	K	93.8	Very high	80.5	Confident	113 Å²	113	75.1 Å²	75.1	49%	0.491	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-72.2	140.4	173	-69.5	-172.3	177.3	-171.3	0	110.5	D43 E47 T199	K36-D43 VanDerWaalsContact CA-OD1 3.24Å; K36-D43 WeakPolarHBondContact CA-OD1 3.47Å; K36-D43 WeakPolarHBondContact CB-OD1 3.4Å; K36-D43 HydrophobicContact CD-CB 4.45Å; K36-D43 HydrophobicContact CG-CB 4.28Å; K36-E47 WeakPolarHBondContact CE-OE1 3.41Å; K36-E47 IonicContact NZ-OE1 3.94Å; K36-E47 PolarHBondContact NZ-OE1 2.92Å; K36-T199 WeakPolarHBondContact O-CG2 3.35Å
37	V	89.9	Confident	83.1	Confident	9 Å²	9	76.5 Å²	76.5	6%	0.055	38%	0.383	C	S	.	.			trans	-109.7	3.6	-178	-64.1	0	0	0	0	113.2	I39 L42 D43 L157 F164 T199 N203	V37-I39 VanDerWaalsContact C-N 3.27Å; V37-I39 HydrophobicContact CG2-CB 4.04Å; V37-I39 HydrophobicContact CG2-CG1 4.3Å; V37-I39 PolarHBondContact O-N 3.06Å; V37-L42 HydrophobicContact CG2-CB 3.65Å; V37-L42 HydrophobicContact CG2-CD1 3.8Å; V37-L42 HydrophobicContact CG2-CG 4.4Å; V37-D43 PolarHBondContact N-OD1 3.08Å; V37-L157 HydrophobicContact CG1-CD1 4.3Å; V37-F164 HydrophobicContact CB-CE1 3.91Å; V37-F164 HydrophobicContact CB-CZ 3.83Å; V37-F164 HydrophobicContact CG1-CE1 4.24Å; V37-F164 HydrophobicContact CG1-CZ 4.18Å; V37-F164 HydrophobicContact CG2-CZ 4.23Å; V37-T199 HydrophobicContact CG1-CG2 3.89Å; V37-N203 WeakPolarHBondContact CG1-ND2 3.44Å
38	N	88.3	Confident	85.9	Confident	128 Å²	128	73.6 Å²	73.6	68%	0.684	37%	0.368	S	S	*	.	S	Bend	trans	62.8	31.7	-177.2	-56.8	-43.8	0	0	0	113.4	D43	N38-D43 VanDerWaalsContact CA-OD2 3.27Å; N38-D43 WeakPolarHBondContact CA-OD2 3.25Å; N38-D43 PolarHBondContact N-OD1 3.14Å; N38-D43 PolarHBondContact N-OD2 3.47Å; N38-D43 VanDerWaalsContact N-OD2 3.13Å
39	I	88.8	Confident	88.5	Confident	28 Å²	28	65.5 Å²	65.5	14%	0.144	33%	0.325	C	S	.	.			trans	-120.3	109.1	170.5	-62	176.9	0	0	0	106.1	V37 K41 L42 D43 Y160 F164	V37-I39 VanDerWaalsContact C-N 3.27Å; V37-I39 HydrophobicContact CG2-CB 4.04Å; V37-I39 HydrophobicContact CG2-CG1 4.3Å; V37-I39 PolarHBondContact O-N 3.06Å; I39-K41 VanDerWaalsContact C-N 3.29Å; I39-K41 PolarHBondContact O-N 3.04Å; I39-L42 HydrophobicContact CB-CB 4.21Å; I39-L42 HydrophobicContact CB-CD1 4.15Å; I39-L42 HydrophobicContact CB-CG 4.36Å; I39-L42 HydrophobicContact CD1-CD1 4.02Å; I39-L42 HydrophobicContact CG2-CB 4.37Å; I39-L42 HydrophobicContact CG2-CD1 4.21Å; I39-L42 HydrophobicContact CG2-CG 4.15Å; I39-L42 PolarHBondContact O-N 2.87Å; I39-D43 PolarHBondContact N-OD2 3.22Å; I39-D43 PolarHBondContact O-N 2.95Å; I39-Y160 HydrophobicContact CD1-CD1 3.8Å; I39-Y160 HydrophobicContact CD1-CG 3.92Å; I39-Y160 HydrophobicContact CG2-CD1 4.36Å; I39-Y160 HydrophobicContact CG2-CE1 4.08Å; I39-F164 HydrophobicContact CD1-CE2 4.11Å; I39-F164 HydrophobicContact CD1-CZ 3.72Å
40	P	91.6	Very high	90.7	Very high	109 Å²	109	60 Å²	60	71%	0.708	30%	0.302	S	S	*	.	H	α-helix	trans	-50.9	-42.9	-165.9	-31.7	34.9	0	0	0	114.9	D43 E44	P40-D43 PolarHBondContact O-N 3.41Å; P40-E44 PolarHBondContact O-N 2.97Å
41	K	92.5	Very high	92.5	Very high	103 Å²	103	62.5 Å²	62.5	45%	0.448	32%	0.318	S	S	.	.	H	α-helix	trans	-65.2	-42.4	178.7	-173.5	-176.4	175.4	-168.2	0	112.6	I39 E45	I39-K41 VanDerWaalsContact C-N 3.29Å; I39-K41 PolarHBondContact O-N 3.04Å; K41-E45 PolarHBondContact O-N 3.43Å
42	L	93.8	Very high	93.5	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-71.5	-36.4	178.5	-71.1	-179.7	0	0	0	111.4	V37 I39 E44 E45 C46 Y153 H156 L157 Y160	V37-L42 HydrophobicContact CG2-CB 3.65Å; V37-L42 HydrophobicContact CG2-CD1 3.8Å; V37-L42 HydrophobicContact CG2-CG 4.4Å; I39-L42 HydrophobicContact CB-CB 4.21Å; I39-L42 HydrophobicContact CB-CD1 4.15Å; I39-L42 HydrophobicContact CB-CG 4.36Å; I39-L42 HydrophobicContact CD1-CD1 4.02Å; I39-L42 HydrophobicContact CG2-CB 4.37Å; I39-L42 HydrophobicContact CG2-CD1 4.21Å; I39-L42 HydrophobicContact CG2-CG 4.15Å; I39-L42 PolarHBondContact O-N 2.87Å; L42-E44 VanDerWaalsContact C-N 3.34Å; L42-E45 PolarHBondContact O-N 2.9Å; L42-C46 WeakPolarHBondContact O-CB 3.2Å; L42-C46 PolarHBondContact O-N 2.88Å; L42-Y153 HydrophobicContact CB-CE2 4.21Å; L42-Y153 HydrophobicContact CD2-CD2 4.15Å; L42-Y153 HydrophobicContact CD2-CE2 4.1Å; L42-H156 HydrophobicContact CD2-CB 3.53Å; L42-L157 HydrophobicContact CD1-CD1 4.02Å; L42-Y160 HydrophobicContact CD1-CD2 3.7Å; L42-Y160 HydrophobicContact CD1-CE2 4.31Å; L42-Y160 HydrophobicContact CD1-CG 4.15Å; L42-Y160 HydrophobicContact CD2-CD2 4.44Å; L42-Y160 HydrophobicContact CG-CD2 4.17Å; L42-Y160 HydrophobicContact CG-CE2 4.31Å
43	D	94.8	Very high	93.8	Very high	20 Å²	20	56.1 Å²	56.1	11%	0.107	28%	0.283	C	S	.	.	H	α-helix	trans	-66.5	-37.9	177.9	-68.9	-17.9	0	0	0	111.5	K36 V37 N38 I39 P40 C46 E47	K36-D43 VanDerWaalsContact CA-OD1 3.24Å; K36-D43 WeakPolarHBondContact CA-OD1 3.47Å; K36-D43 WeakPolarHBondContact CB-OD1 3.4Å; K36-D43 HydrophobicContact CD-CB 4.45Å; K36-D43 HydrophobicContact CG-CB 4.28Å; V37-D43 PolarHBondContact N-OD1 3.08Å; N38-D43 VanDerWaalsContact CA-OD2 3.27Å; N38-D43 WeakPolarHBondContact CA-OD2 3.25Å; N38-D43 PolarHBondContact N-OD1 3.14Å; N38-D43 PolarHBondContact N-OD2 3.47Å; N38-D43 VanDerWaalsContact N-OD2 3.13Å; I39-D43 PolarHBondContact N-OD2 3.22Å; I39-D43 PolarHBondContact O-N 2.95Å; P40-D43 PolarHBondContact O-N 3.41Å; D43-C46 WeakPolarHBondContact O-CB 3.41Å; D43-C46 PolarHBondContact O-N 2.89Å; D43-E47 WeakPolarHBondContact O-CG 3.39Å; D43-E47 PolarHBondContact O-N 3.31Å
44	E	95.5	Very high	93.7	Very high	102 Å²	102	57.9 Å²	57.9	48%	0.477	29%	0.292	S	S	.	.	H	α-helix	trans	-63.7	-43.3	172.7	-169.5	-169.9	163.9	0	0	111.9	P40 L42 K48	P40-E44 PolarHBondContact O-N 2.97Å; L42-E44 VanDerWaalsContact C-N 3.34Å; E44-K48 WeakPolarHBondContact O-CG 3.49Å; E44-K48 PolarHBondContact O-N 3.38Å; E44-K48 VanDerWaalsContact O-N 3.09Å; E44-K48 VanDerWaalsContact OE1-CE 3.31Å; E44-K48 WeakPolarHBondContact OE1-CE 3.28Å; E44-K48 IonicContact OE1-NZ 2.64Å; E44-K48 PolarHBondContact OE1-NZ 3.31Å
45	E	95.2	Very high	93.5	Very high	36 Å²	36	59.9 Å²	59.9	17%	0.168	30%	0.303	C	S	.	.	H	α-helix	trans	-64.4	-42	175.1	-73.6	-179.4	-158.4	0	0	111.8	K41 L42 K48 I49 Y153 H156	K41-E45 PolarHBondContact O-N 3.43Å; L42-E45 PolarHBondContact O-N 2.9Å; E45-K48 PolarHBondContact O-N 2.87Å; E45-I49 WeakPolarHBondContact O-CG1 3.36Å; E45-I49 PolarHBondContact O-N 3.31Å; E45-Y153 HydrophobicContact CB-CD2 3.92Å; E45-Y153 WeakPolarHBondContact OE2-CA 3.42Å; E45-H156 VanDerWaalsContact CD-ND1 3.29Å; E45-H156 IonicContact OE1-CE1 2.87Å; E45-H156 PolarHBondContact OE1-CE1 3.13Å; E45-H156 IonicContact OE1-ND1 3.58Å; E45-H156 PolarHBondContact OE1-ND1 3.42Å; E45-H156 IonicContact OE2-CE1 2.91Å; E45-H156 IonicContact OE2-CG 3.77Å; E45-H156 IonicContact OE2-ND1 3.18Å; E45-H156 PolarHBondContact OE2-ND1 2.94Å
46	C	95.3	Very high	93.5	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.014	28%	0.282	C	S	.	.	H	α-helix	trans	-57	-49.7	175.5	172.2	0	0	0	0	111.4	L34 E35 L42 D43 K48 I49 N50 Y153	L34-C46 VanDerWaalsContact C-SG 3.58Å; L34-C46 HydrophobicContact CB-CB 4.33Å; L34-C46 WeakPolarHBondContact CB-SG 3.48Å; L34-C46 PolarHBondContact O-SG 3.29Å; E35-C46 PolarHBondContact O-SG 2.95Å; L42-C46 WeakPolarHBondContact O-CB 3.2Å; L42-C46 PolarHBondContact O-N 2.88Å; D43-C46 WeakPolarHBondContact O-CB 3.41Å; D43-C46 PolarHBondContact O-N 2.89Å; C46-K48 PolarHBondContact O-N 3.26Å; C46-I49 PolarHBondContact O-N 3.42Å; C46-N50 WeakPolarHBondContact O-CB 3.47Å; C46-N50 VanDerWaalsContact O-CG 3.3Å; C46-N50 PolarHBondContact O-N 2.83Å; C46-Y153 HydrophobicContact CB-CE2 4.21Å
47	E	95.1	Very high	93.4	Very high	94 Å²	94	52.1 Å²	52.1	44%	0.439	27%	0.266	S	S	.	.	H	α-helix	trans	-60.9	-46.3	176.9	-75.3	-179	178	0	0	112.1	K36 D43 I49 N50 V51	K36-E47 WeakPolarHBondContact CE-OE1 3.41Å; K36-E47 IonicContact NZ-OE1 3.94Å; K36-E47 PolarHBondContact NZ-OE1 2.92Å; D43-E47 WeakPolarHBondContact O-CG 3.39Å; D43-E47 PolarHBondContact O-N 3.31Å; E47-I49 VanDerWaalsContact C-N 3.33Å; E47-I49 PolarHBondContact O-N 3.02Å; E47-N50 PolarHBondContact O-N 2.68Å; E47-V51 WeakPolarHBondContact O-CG2 3.46Å; E47-V51 PolarHBondContact O-N 3.13Å
48	K	95.3	Very high	93.4	Very high	110 Å²	110	59.6 Å²	59.6	48%	0.478	29%	0.294	S	S	.	.	H	α-helix	trans	-59.9	-42	177.3	-74.2	174.2	-174	168.1	0	112	E44 E45 C46 N52	E44-K48 WeakPolarHBondContact O-CG 3.49Å; E44-K48 PolarHBondContact O-N 3.38Å; E44-K48 VanDerWaalsContact O-N 3.09Å; E44-K48 VanDerWaalsContact OE1-CE 3.31Å; E44-K48 WeakPolarHBondContact OE1-CE 3.28Å; E44-K48 IonicContact OE1-NZ 2.64Å; E44-K48 PolarHBondContact OE1-NZ 3.31Å; E45-K48 PolarHBondContact O-N 2.87Å; C46-K48 PolarHBondContact O-N 3.26Å; K48-N52 WeakPolarHBondContact O-CB 3.43Å; K48-N52 PolarHBondContact O-N 2.87Å; K48-N52 PolarHBondContact O-ND2 2.89Å
49	I	96.8	Very high	93.6	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-64.7	-50.7	176.7	-71.7	165.6	0	0	0	110	L34 E45 C46 E47 V51 N52 I53 L146 I150 Y153 L210	L34-I49 HydrophobicContact CD1-CB 4Å; L34-I49 HydrophobicContact CD1-CD1 3.81Å; L34-I49 HydrophobicContact CD1-CG2 3.74Å; L34-I49 HydrophobicContact CG-CG2 4.5Å; E45-I49 WeakPolarHBondContact O-CG1 3.36Å; E45-I49 PolarHBondContact O-N 3.31Å; C46-I49 PolarHBondContact O-N 3.42Å; E47-I49 VanDerWaalsContact C-N 3.33Å; E47-I49 PolarHBondContact O-N 3.02Å; I49-V51 PolarHBondContact O-N 3.27Å; I49-N52 PolarHBondContact O-N 2.78Å; I49-N52 VanDerWaalsContact O-N 3.1Å; I49-I53 HydrophobicContact CG2-CG1 4.1Å; I49-I53 WeakPolarHBondContact O-CG1 3.4Å; I49-I53 PolarHBondContact O-N 3.4Å; I49-L146 HydrophobicContact CG2-CD1 4.28Å; I49-I150 HydrophobicContact CD1-CG1 4.39Å; I49-I150 HydrophobicContact CG1-CG1 4.49Å; I49-I150 HydrophobicContact CG2-CG1 3.89Å; I49-Y153 VanDerWaalsContact CD1-CB 3.42Å; I49-Y153 HydrophobicContact CD1-CD1 4.32Å; I49-Y153 HydrophobicContact CD1-CD2 4.41Å; I49-Y153 HydrophobicContact CD1-CG 3.81Å; I49-L210 HydrophobicContact CG2-CD1 4.36Å
50	N	95.5	Very high	93.7	Very high	23 Å²	23	55.1 Å²	55.1	12%	0.123	27%	0.267	C	S	.	.	H	α-helix	trans	-58.8	-45.4	-177.4	-75.3	-16.2	0	0	0	112.2	L33 L34 C46 E47 N52 I53 I54	L33-N50 HydrophobicContact CD2-CB 4.16Å; L34-N50 PolarHBondContact N-OD1 2.87Å; L34-N50 PolarHBondContact O-ND2 2.84Å; C46-N50 WeakPolarHBondContact O-CB 3.47Å; C46-N50 VanDerWaalsContact O-CG 3.3Å; C46-N50 PolarHBondContact O-N 2.83Å; E47-N50 PolarHBondContact O-N 2.68Å; N50-N52 VanDerWaalsContact C-N 3.33Å; N50-N52 PolarHBondContact O-N 3.25Å; N50-I53 PolarHBondContact O-N 2.81Å; N50-I54 VanDerWaalsContact O-CG1 3.28Å; N50-I54 WeakPolarHBondContact O-CG1 3.34Å; N50-I54 PolarHBondContact O-N 3.4Å
51	V	94.7	Very high	93.6	Very high	97 Å²	97	55.5 Å²	55.5	59%	0.588	26%	0.259	S	S	*	.	H	α-helix	trans	-59.8	-43.9	175.7	170.7	0	0	0	0	111.1	E47 I49 I54 N55	E47-V51 WeakPolarHBondContact O-CG2 3.46Å; E47-V51 PolarHBondContact O-N 3.13Å; I49-V51 PolarHBondContact O-N 3.27Å; V51-I54 PolarHBondContact O-N 2.76Å; V51-N55 WeakPolarHBondContact O-CB 3.14Å; V51-N55 PolarHBondContact O-N 2.8Å
52	N	94.7	Very high	93.6	Very high	46 Å²	46	53.5 Å²	53.5	25%	0.246	25%	0.251	C	S	.	.	H	α-helix	trans	-68.2	-38.3	178.9	-78.3	-49.1	0	0	0	112.9	K48 I49 N50 N55 L56 L146	K48-N52 WeakPolarHBondContact O-CB 3.43Å; K48-N52 PolarHBondContact O-N 2.87Å; K48-N52 PolarHBondContact O-ND2 2.89Å; I49-N52 PolarHBondContact O-N 2.78Å; I49-N52 VanDerWaalsContact O-N 3.1Å; N50-N52 VanDerWaalsContact C-N 3.33Å; N50-N52 PolarHBondContact O-N 3.25Å; N52-N55 PolarHBondContact O-N 3.48Å; N52-L56 VanDerWaalsContact O-CB 3.29Å; N52-L56 WeakPolarHBondContact O-CB 3.49Å; N52-L56 PolarHBondContact O-N 3.46Å; N52-L146 HydrophobicContact CB-CD1 3.69Å; N52-L146 HydrophobicContact CB-CD2 4.19Å; N52-L146 HydrophobicContact CB-CG 4.47Å
53	I	94.5	Very high	93.4	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-60	-49.9	174.1	-70.9	-55.5	0	0	0	110.2	L33 I49 N50 N55 L56 R57 L146 I150 L210 V214	L33-I53 HydrophobicContact CD2-CB 4.37Å; L33-I53 HydrophobicContact CD2-CG2 4.04Å; I49-I53 HydrophobicContact CG2-CG1 4.1Å; I49-I53 WeakPolarHBondContact O-CG1 3.4Å; I49-I53 PolarHBondContact O-N 3.4Å; N50-I53 PolarHBondContact O-N 2.81Å; I53-N55 VanDerWaalsContact C-N 3.33Å; I53-N55 PolarHBondContact O-N 3.47Å; I53-L56 PolarHBondContact O-N 2.97Å; I53-R57 HydrophobicContact CG2-CG 4.5Å; I53-R57 WeakPolarHBondContact O-CG 3.37Å; I53-R57 PolarHBondContact O-N 3.21Å; I53-L146 HydrophobicContact CD1-CD1 4.04Å; I53-L146 HydrophobicContact CD1-CD2 3.48Å; I53-L146 VanDerWaalsContact CD1-CD2 3.48Å; I53-L146 HydrophobicContact CD1-CG 3.87Å; I53-L146 HydrophobicContact CG1-CD1 4.4Å; I53-L146 HydrophobicContact CG1-CD2 4.32Å; I53-I150 HydrophobicContact CD1-CD1 4.18Å; I53-L210 HydrophobicContact CD1-CB 4.45Å; I53-L210 HydrophobicContact CD1-CD2 3.93Å; I53-L210 HydrophobicContact CG1-CD1 4.25Å; I53-L210 HydrophobicContact CG1-CD2 3.91Å; I53-L210 HydrophobicContact CG2-CD2 4.01Å; I53-V214 HydrophobicContact CD1-CG2 3.79Å
54	I	92.2	Very high	93.1	Very high	92 Å²	92	53.3 Å²	53.3	47%	0.472	25%	0.251	S	S	.	.	H	α-helix	trans	-60.7	-45.6	-179.7	-67.6	165.2	0	0	0	110	L33 N50 V51 L56 R57 R58	L33-I54 HydrophobicContact CD1-CD1 4.2Å; L33-I54 HydrophobicContact CD2-CG1 4.3Å; N50-I54 VanDerWaalsContact O-CG1 3.28Å; N50-I54 WeakPolarHBondContact O-CG1 3.34Å; N50-I54 PolarHBondContact O-N 3.4Å; V51-I54 PolarHBondContact O-N 2.76Å; I54-L56 PolarHBondContact O-N 2.77Å; I54-R57 PolarHBondContact O-N 2.94Å; I54-R58 PolarHBondContact O-N 3.32Å
55	N	91.7	Very high	92.8	Very high	50 Å²	50	52 Å²	52	27%	0.267	25%	0.247	S	C	.	.	H	α-helix	trans	-62.6	-43.5	176.7	-174.6	51.1	0	0	0	112	V51 N52 I53 R57 R58 V59	V51-N55 WeakPolarHBondContact O-CB 3.14Å; V51-N55 PolarHBondContact O-N 2.8Å; N52-N55 PolarHBondContact O-N 3.48Å; I53-N55 VanDerWaalsContact C-N 3.33Å; I53-N55 PolarHBondContact O-N 3.47Å; N55-R57 PolarHBondContact O-N 3.01Å; N55-R58 PolarHBondContact O-N 3.07Å; N55-R58 PolarHBondContact OD1-NH2 2.97Å; N55-V59 VanDerWaalsContact O-CG2 3.25Å; N55-V59 WeakPolarHBondContact O-CG2 3.38Å; N55-V59 PolarHBondContact O-N 2.83Å
56	L	92.9	Very high	92.7	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-60.1	-45.3	177.6	-171.2	77.2	0	0	0	111.3	N52 I53 I54 R58 V59 R60 L139 T142 L146 V214 M217	N52-L56 VanDerWaalsContact O-CB 3.29Å; N52-L56 WeakPolarHBondContact O-CB 3.49Å; N52-L56 PolarHBondContact O-N 3.46Å; I53-L56 PolarHBondContact O-N 2.97Å; I54-L56 PolarHBondContact O-N 2.77Å; L56-R58 PolarHBondContact O-N 2.87Å; L56-V59 PolarHBondContact O-N 3.2Å; L56-R60 VanDerWaalsContact O-CB 3.29Å; L56-R60 WeakPolarHBondContact O-CB 3.45Å; L56-R60 PolarHBondContact O-N 3.46Å; L56-L139 HydrophobicContact CD1-CD2 3.63Å; L56-L139 HydrophobicContact CG-CD2 4.31Å; L56-T142 HydrophobicContact CD1-CG2 3.96Å; L56-L146 HydrophobicContact CB-CD2 4.24Å; L56-L146 HydrophobicContact CD2-CD2 3.83Å; L56-V214 HydrophobicContact CD2-CG2 4.11Å; L56-M217 HydrophobicContact CD2-CE 4.02Å; L56-M217 HydrophobicContact CD2-SD 3.94Å; L56-M217 HydrophobicContact CG-SD 4.22Å
57	R	91.4	Very high	92.4	Very high	42 Å²	42	51.3 Å²	51.3	16%	0.158	24%	0.244	C	C	.	.	H	α-helix	trans	-60.6	-43.8	176.4	-71.8	175.6	-178.7	152.7	3.9	111.7	N30 V32 I53 I54 N55 R60 H61 E213 M217	N30-R57 PolarHBondContact O-NE 3.32Å; N30-R57 PolarHBondContact O-NH1 2.8Å; N30-R57 PolarHBondContact O-NH2 3.47Å; V32-R57 PolarHBondContact O-NH1 3.3Å; V32-R57 PolarHBondContact O-NH2 2.99Å; I53-R57 HydrophobicContact CG2-CG 4.5Å; I53-R57 WeakPolarHBondContact O-CG 3.37Å; I53-R57 PolarHBondContact O-N 3.21Å; I54-R57 PolarHBondContact O-N 2.94Å; N55-R57 PolarHBondContact O-N 3.01Å; R57-R60 PolarHBondContact O-N 3.3Å; R57-H61 PolarHBondContact O-N 2.85Å; R57-E213 IonicContact CZ-OE1 2.74Å; R57-E213 IonicContact CZ-OE2 3.24Å; R57-E213 IonicContact NE-OE1 3.17Å; R57-E213 PolarHBondContact NE-OE1 2.96Å; R57-E213 IonicContact NE-OE2 2.72Å; R57-E213 IonicContact NH2-OE1 2.63Å; R57-E213 PolarHBondContact NH2-OE1 3.15Å; R57-E213 IonicContact NH2-OE2 3.73Å; R57-E213 PolarHBondContact NH2-OE2 3.48Å; R57-M217 HydrophobicContact CG-CE 4.33Å
58	R	91.6	Very high	92.1	Very high	166 Å²	166	50 Å²	50	63%	0.626	24%	0.238	S	C	*	.	H	α-helix	trans	-61.7	-50.6	176.6	-178.6	-176.8	66	164.6	0.5	112.1	I54 N55 L56 R60 H61 E62	I54-R58 PolarHBondContact O-N 3.32Å; N55-R58 PolarHBondContact O-N 3.07Å; N55-R58 PolarHBondContact OD1-NH2 2.97Å; L56-R58 PolarHBondContact O-N 2.87Å; R58-R60 VanDerWaalsContact C-N 3.3Å; R58-R60 PolarHBondContact O-N 3.11Å; R58-H61 WeakPolarHBondContact O-CB 3.34Å; R58-H61 PolarHBondContact O-N 2.94Å; R58-H61 VanDerWaalsContact O-N 3.13Å; R58-E62 PolarHBondContact O-N 2.87Å
59	V	91.7	Very high	91.9	Very high	15 Å²	15	50.8 Å²	50.8	9%	0.091	24%	0.243	C	C	.	.	H	α-helix	trans	-66.1	-35.1	-178.5	178.1	0	0	0	0	110.8	N55 L56 E62 M63 L135 V138 L139	N55-V59 VanDerWaalsContact O-CG2 3.25Å; N55-V59 WeakPolarHBondContact O-CG2 3.38Å; N55-V59 PolarHBondContact O-N 2.83Å; L56-V59 PolarHBondContact O-N 3.2Å; V59-E62 PolarHBondContact O-N 3.13Å; V59-M63 PolarHBondContact O-N 3.3Å; V59-L135 HydrophobicContact CG1-CD2 3.71Å; V59-V138 HydrophobicContact CG1-CG1 4.49Å; V59-L139 HydrophobicContact CB-CD2 3.74Å; V59-L139 HydrophobicContact CB-CG 4.43Å; V59-L139 HydrophobicContact CG1-CD1 4.22Å; V59-L139 HydrophobicContact CG1-CD2 3.55Å; V59-L139 HydrophobicContact CG1-CG 3.69Å
60	R	90.6	Very high	91.6	Very high	47 Å²	47	51.1 Å²	51.1	18%	0.177	24%	0.244	C	C	.	.	H	α-helix	trans	-60.7	-46.8	171.3	170.6	-172.6	140.7	176.2	-0.3	110.7	E26 L56 R57 R58 M63 C64 Y76 L139 M217	E26-R60 IonicContact OE2-NH2 3.88Å; E26-R60 PolarHBondContact OE2-NH2 3.4Å; E26-R60 VanDerWaalsContact OE2-NH2 3.17Å; L56-R60 VanDerWaalsContact O-CB 3.29Å; L56-R60 WeakPolarHBondContact O-CB 3.45Å; L56-R60 PolarHBondContact O-N 3.46Å; R57-R60 PolarHBondContact O-N 3.3Å; R58-R60 VanDerWaalsContact C-N 3.3Å; R58-R60 PolarHBondContact O-N 3.11Å; R60-M63 WeakPolarHBondContact O-CB 3.42Å; R60-M63 PolarHBondContact O-N 3.41Å; R60-C64 PolarHBondContact O-N 2.83Å; R60-C64 PolarHBondContact O-SG 3.28Å; R60-Y76 PolarHBondContact NH2-OH 3.42Å; R60-L139 HydrophobicContact CB-CD2 4.35Å; R60-M217 HydrophobicContact CB-SD 4.47Å; R60-M217 WeakPolarHBondContact CD-SD 3.21Å; R60-M217 HydrophobicContact CG-SD 4.48Å
61	H	89.8	Confident	91.3	Very high	116 Å²	116	50.2 Å²	50.2	54%	0.537	24%	0.24	S	C	.	.	H	α-helix	trans	-61.4	-44	178.6	-177.8	67.9	0	0	0	111.8	R57 R58 M63 C64 L65	R57-H61 PolarHBondContact O-N 2.85Å; R58-H61 WeakPolarHBondContact O-CB 3.34Å; R58-H61 PolarHBondContact O-N 2.94Å; R58-H61 VanDerWaalsContact O-N 3.13Å; H61-M63 VanDerWaalsContact C-N 3.35Å; H61-M63 PolarHBondContact O-N 3.48Å; H61-C64 WeakPolarHBondContact O-CB 3.23Å; H61-C64 PolarHBondContact O-N 2.71Å; H61-C64 VanDerWaalsContact O-N 3.14Å; H61-L65 PolarHBondContact O-N 2.95Å; H61-L65 VanDerWaalsContact O-N 3.09Å
62	E	91.5	Very high	90.8	Very high	62 Å²	62	52.8 Å²	52.8	29%	0.29	25%	0.246	S	C	.	.	H	α-helix	trans	-57	-47.5	173.3	-173.8	-172.1	157.2	0	0	111.4	R58 V59 C64 L65 I66 R131 L135	R58-E62 PolarHBondContact O-N 2.87Å; V59-E62 PolarHBondContact O-N 3.13Å; E62-C64 VanDerWaalsContact C-N 3.28Å; E62-C64 PolarHBondContact O-N 2.95Å; E62-L65 PolarHBondContact O-N 3.41Å; E62-I66 HydrophobicContact CG-CD1 3.96Å; E62-I66 WeakPolarHBondContact O-CG1 3.25Å; E62-I66 PolarHBondContact O-N 3.26Å; E62-R131 IonicContact OE1-CZ 2.8Å; E62-R131 IonicContact OE1-NE 2.71Å; E62-R131 PolarHBondContact OE1-NE 2.96Å; E62-R131 IonicContact OE1-NH2 3.88Å; E62-R131 PolarHBondContact OE1-NH2 3.1Å; E62-R131 IonicContact OE2-NH2 3.4Å; E62-L135 HydrophobicContact CG-CD1 4.14Å
63	M	91.5	Very high	89.8	Confident	4 Å²	4	50.9 Å²	50.9	2%	0.02	24%	0.236	C	C	.	.	H	α-helix	trans	-58.6	-40.4	176.3	-175.4	-171.3	163.2	0	0	111.9	V59 R60 H61 I66 Y67 I132 L135 C136 L139 I221 I224	V59-M63 PolarHBondContact O-N 3.3Å; R60-M63 WeakPolarHBondContact O-CB 3.42Å; R60-M63 PolarHBondContact O-N 3.41Å; H61-M63 VanDerWaalsContact C-N 3.35Å; H61-M63 PolarHBondContact O-N 3.48Å; M63-I66 PolarHBondContact O-N 3.47Å; M63-Y67 WeakPolarHBondContact O-CB 2.87Å; M63-Y67 PolarHBondContact O-N 2.8Å; M63-I132 HydrophobicContact CE-CG2 4.33Å; M63-L135 HydrophobicContact CB-CB 4.1Å; M63-L135 HydrophobicContact CB-CD1 3.99Å; M63-L135 HydrophobicContact CG-CB 4.15Å; M63-C136 WeakPolarHBondContact CE-SG 3.38Å; M63-L139 HydrophobicContact CB-CD1 3.99Å; M63-L139 HydrophobicContact CG-CD1 4.33Å; M63-L139 HydrophobicContact SD-CD1 3.49Å; M63-L139 WeakPolarHBondContact SD-CD1 3.45Å; M63-I221 HydrophobicContact SD-CG1 4.41Å; M63-I221 HydrophobicContact SD-CG2 4.38Å; M63-I224 HydrophobicContact CE-CB 4.17Å; M63-I224 HydrophobicContact CE-CD1 3.98Å; M63-I224 HydrophobicContact CE-CG2 3.63Å
64	C	87.7	Confident	88.4	Confident	11 Å²	11	52.3 Å²	52.3	7%	0.074	25%	0.248	C	C	.	.	H	α-helix	trans	-60.3	-45.2	176.5	-66	0	0	0	0	112.4	R60 H61 E62 Q68 L75	R60-C64 PolarHBondContact O-N 2.83Å; R60-C64 PolarHBondContact O-SG 3.28Å; H61-C64 WeakPolarHBondContact O-CB 3.23Å; H61-C64 PolarHBondContact O-N 2.71Å; H61-C64 VanDerWaalsContact O-N 3.14Å; E62-C64 VanDerWaalsContact C-N 3.28Å; E62-C64 PolarHBondContact O-N 2.95Å; C64-Q68 VanDerWaalsContact O-CB 3.31Å; C64-Q68 WeakPolarHBondContact O-CB 3.37Å; C64-Q68 VanDerWaalsContact O-CG 3.3Å; C64-Q68 WeakPolarHBondContact O-CG 3.48Å; C64-Q68 PolarHBondContact O-N 3.24Å; C64-L75 HydrophobicContact CB-CB 4.34Å; C64-L75 HydrophobicContact CB-CD1 4.39Å
65	L	89.7	Confident	86.9	Confident	76 Å²	76	48.4 Å²	48.4	40%	0.398	23%	0.228	S	C	.	.	H	α-helix	trans	-64.9	-44.2	-179.9	-66.8	176	0	0	0	111.5	H61 E62 Q68 Q69	H61-L65 PolarHBondContact O-N 2.95Å; H61-L65 VanDerWaalsContact O-N 3.09Å; E62-L65 PolarHBondContact O-N 3.41Å; L65-Q68 WeakPolarHBondContact O-CB 3.36Å; L65-Q68 PolarHBondContact O-N 2.93Å; L65-Q69 WeakPolarHBondContact O-CG 3.33Å; L65-Q69 PolarHBondContact O-N 3.37Å
66	I	91.5	Very high	85.3	Confident	20 Å²	20	52.6 Å²	52.6	10%	0.103	24%	0.241	C	C	.	.	H	α-helix	trans	-68.9	-40.4	-179.5	-63.2	179.1	0	0	0	110.6	E62 M63 Q68 Q69 F70 L128 R131 I132 L135	E62-I66 HydrophobicContact CG-CD1 3.96Å; E62-I66 WeakPolarHBondContact O-CG1 3.25Å; E62-I66 PolarHBondContact O-N 3.26Å; M63-I66 PolarHBondContact O-N 3.47Å; I66-Q68 VanDerWaalsContact C-N 3.33Å; I66-Q68 PolarHBondContact O-N 2.89Å; I66-Q69 PolarHBondContact O-N 3.23Å; I66-F70 WeakPolarHBondContact O-CB 3.42Å; I66-F70 PolarHBondContact O-N 3.45Å; I66-L128 HydrophobicContact CG2-CB 4.39Å; I66-L128 HydrophobicContact CG2-CD2 3.73Å; I66-R131 HydrophobicContact CD1-CB 4.39Å; I66-R131 HydrophobicContact CD1-CG 3.42Å; I66-R131 VanDerWaalsContact CD1-CG 3.42Å; I66-R131 HydrophobicContact CG2-CB 4.32Å; I66-R131 HydrophobicContact CG2-CG 4.38Å; I66-I132 HydrophobicContact CB-CG1 4.37Å; I66-I132 HydrophobicContact CG2-CD1 4.23Å; I66-I132 HydrophobicContact CG2-CG1 3.59Å; I66-L135 HydrophobicContact CD1-CD1 3.8Å
67	Y	89.8	Confident	83.7	Confident	2 Å²	2	58.3 Å²	58.3	1%	0.008	27%	0.268	C	S	.	.	H	α-helix	trans	-62.6	-41.3	173.7	-173.9	-87	0	0	0	111.7	M63 Q69 F70 A71 L75 L83 I132 I224	M63-Y67 WeakPolarHBondContact O-CB 2.87Å; M63-Y67 PolarHBondContact O-N 2.8Å; Y67-Q69 VanDerWaalsContact C-N 3.35Å; Y67-F70 PolarHBondContact O-N 3.3Å; Y67-A71 HydrophobicContact CD1-CB 4.35Å; Y67-A71 HydrophobicContact CE1-CB 3.99Å; Y67-A71 WeakPolarHBondContact O-CB 3.27Å; Y67-A71 PolarHBondContact O-N 2.79Å; Y67-L75 HydrophobicContact CD1-CB 4.18Å; Y67-L75 HydrophobicContact CD1-CD1 3.82Å; Y67-L75 HydrophobicContact CD1-CG 4.22Å; Y67-L75 HydrophobicContact CD2-CD1 4.43Å; Y67-L75 HydrophobicContact CG-CD1 3.75Å; Y67-L83 HydrophobicContact CE2-CD1 4.09Å; Y67-L83 HydrophobicContact CE2-CD2 4.48Å; Y67-I132 HydrophobicContact CD2-CD1 4.32Å; Y67-I132 HydrophobicContact CD2-CG2 4.26Å; Y67-I224 HydrophobicContact CD2-CG2 4.11Å; Y67-I224 HydrophobicContact CE2-CG2 3.82Å
68	Q	89.5	Confident	82.2	Confident	68 Å²	68	57.7 Å²	57.7	32%	0.318	27%	0.267	S	S	.	.	H	α-helix	trans	-60.3	-42.9	174.3	-86.2	167.3	-14.6	0	0	112.5	C64 L65 I66 Q72 C73	C64-Q68 VanDerWaalsContact O-CB 3.31Å; C64-Q68 WeakPolarHBondContact O-CB 3.37Å; C64-Q68 VanDerWaalsContact O-CG 3.3Å; C64-Q68 WeakPolarHBondContact O-CG 3.48Å; C64-Q68 PolarHBondContact O-N 3.24Å; L65-Q68 WeakPolarHBondContact O-CB 3.36Å; L65-Q68 PolarHBondContact O-N 2.93Å; I66-Q68 VanDerWaalsContact C-N 3.33Å; I66-Q68 PolarHBondContact O-N 2.89Å; Q68-Q72 WeakPolarHBondContact O-CA 3.25Å; Q68-Q72 PolarHBondContact O-N 3.21Å; Q68-C73 WeakPolarHBondContact CA-O 3.08Å; Q68-C73 WeakPolarHBondContact CG-O 3.24Å
69	Q	90.5	Very high	81.2	Confident	125 Å²	125	52.2 Å²	52.2	58%	0.584	25%	0.25	S	S	*	.	H	α-helix	trans	-64.7	-42.2	176.6	-73.3	172.4	-10.3	0	0	111.8	L65 I66 Y67 L128	L65-Q69 WeakPolarHBondContact O-CG 3.33Å; L65-Q69 PolarHBondContact O-N 3.37Å; I66-Q69 PolarHBondContact O-N 3.23Å; Y67-Q69 VanDerWaalsContact C-N 3.35Å; Q69-L128 HydrophobicContact CB-CD1 4.18Å; Q69-L128 HydrophobicContact CB-CD2 4.37Å
70	F	91.4	Very high	80.7	Confident	10 Å²	10	54.2 Å²	54.2	4%	0.044	26%	0.259	C	S	.	.	H	α-helix	trans	-72.7	-51.9	-178.3	-177.4	-109	0	0	0	113.2	I66 Y67 L83 A86 I87 L90 L128 F129 I132	I66-F70 WeakPolarHBondContact O-CB 3.42Å; I66-F70 PolarHBondContact O-N 3.45Å; Y67-F70 PolarHBondContact O-N 3.3Å; F70-L83 HydrophobicContact CD1-CD1 4.24Å; F70-L83 HydrophobicContact CE1-CD1 4.02Å; F70-A86 HydrophobicContact CD1-CB 4.27Å; F70-A86 HydrophobicContact CE1-CB 3.94Å; F70-A86 HydrophobicContact CZ-CB 4.18Å; F70-A86 WeakPolarHBondContact O-CB 3.25Å; F70-I87 HydrophobicContact CE1-CD1 3.77Å; F70-I87 HydrophobicContact CE1-CG1 4.27Å; F70-I87 HydrophobicContact CZ-CD1 3.78Å; F70-I87 HydrophobicContact CZ-CG1 4.46Å; F70-L90 HydrophobicContact CE2-CD2 4.15Å; F70-L90 HydrophobicContact CZ-CD2 4.06Å; F70-L128 HydrophobicContact CB-CB 4.17Å; F70-L128 HydrophobicContact CB-CD1 4.45Å; F70-L128 HydrophobicContact CD2-CB 4.01Å; F70-L128 HydrophobicContact CG-CB 4.46Å; F70-F129 HydrophobicContact CE1-CD2 4.33Å; F70-F129 HydrophobicContact CE2-CB 4.03Å; F70-F129 HydrophobicContact CZ-CB 4.18Å; F70-F129 HydrophobicContact CZ-CD2 4.04Å; F70-I132 HydrophobicContact CB-CD1 3.57Å; F70-I132 HydrophobicContact CD1-CD1 3.83Å; F70-I132 HydrophobicContact CG-CD1 3.81Å
71	A	88.3	Confident	80.5	Confident	4 Å²	4	57.9 Å²	57.9	3%	0.033	28%	0.278	C	S	.	.	H	α-helix	trans	-90.8	-1.7	-174.6	0	0	0	0	0	113.5	Y67 C73 L83	Y67-A71 HydrophobicContact CD1-CB 4.35Å; Y67-A71 HydrophobicContact CE1-CB 3.99Å; Y67-A71 WeakPolarHBondContact O-CB 3.27Å; Y67-A71 PolarHBondContact O-N 2.79Å; A71-C73 PolarHBondContact O-N 3.33Å; A71-C73 VanDerWaalsContact O-N 3.11Å; A71-L83 HydrophobicContact CB-CD1 4.43Å
72	Q	83.8	Confident	80.4	Confident	151 Å²	151	55.3 Å²	55.3	71%	0.706	27%	0.265	S	S	*	.	S	Bend	trans	51.3	35.8	-177.5	-56.9	-178.3	2.7	0	0	112.9	Q68	Q68-Q72 WeakPolarHBondContact O-CA 3.25Å; Q68-Q72 PolarHBondContact O-N 3.21Å
73	C	73.6	Confident	80.3	Confident	6 Å²	6	52.4 Å²	52.4	4%	0.041	25%	0.251	C	S	.	.	S	Bend	trans	-143.4	147.9	-175.3	79.2	0	0	0	0	111.6	Q68 A71 L75 K82	Q68-C73 WeakPolarHBondContact CA-O 3.08Å; Q68-C73 WeakPolarHBondContact CG-O 3.24Å; A71-C73 PolarHBondContact O-N 3.33Å; A71-C73 VanDerWaalsContact O-N 3.11Å; C73-L75 PolarHBondContact O-N 3.04Å; C73-K82 HydrophobicContact CB-CB 4.08Å; C73-K82 HydrophobicContact CB-CD 3.26Å; C73-K82 HydrophobicContact CB-CG 4.33Å
74	A	66.2	Low	80.3	Confident	30 Å²	30	53.2 Å²	53.2	25%	0.248	26%	0.256	C	S	.	.			trans	-65.3	132.9	172.6	0	0	0	0	0	109.3	Y76 E77 N78	A74-Y76 PolarHBondContact O-N 3.3Å; A74-E77 HydrophobicContact CB-CB 4.5Å; A74-E77 HydrophobicContact CB-CG 4.04Å; A74-E77 WeakPolarHBondContact O-CB 3.33Å; A74-E77 PolarHBondContact O-N 3.19Å; A74-N78 PolarHBondContact O-N 2.64Å
75	L	59.6	Low	80.4	Confident	10 Å²	10	57.7 Å²	57.7	5%	0.052	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-23.2	179.1	-170.6	129.8	0	0	0	112.7	C64 Y67 C73 N78 R220 I224	C64-L75 HydrophobicContact CB-CB 4.34Å; C64-L75 HydrophobicContact CB-CD1 4.39Å; Y67-L75 HydrophobicContact CD1-CB 4.18Å; Y67-L75 HydrophobicContact CD1-CD1 3.82Å; Y67-L75 HydrophobicContact CD1-CG 4.22Å; Y67-L75 HydrophobicContact CD2-CD1 4.43Å; Y67-L75 HydrophobicContact CG-CD1 3.75Å; C73-L75 PolarHBondContact O-N 3.04Å; L75-N78 PolarHBondContact O-OD1 3.32Å; L75-R220 PolarHBondContact O-NH2 2.96Å; L75-I224 HydrophobicContact CD1-CD1 3.85Å; L75-I224 HydrophobicContact CD2-CD1 4.03Å; L75-I224 HydrophobicContact CG-CD1 4.12Å
76	Y	58.5	Low	80.6	Confident	139 Å²	139	54.7 Å²	54.7	55%	0.545	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-25.9	176.1	-65.4	-74.8	0	0	0	114.2	R60 A74 N78	R60-Y76 PolarHBondContact NH2-OH 3.42Å; A74-Y76 PolarHBondContact O-N 3.3Å; Y76-N78 PolarHBondContact O-N 2.89Å
77	E	59.2	Low	80.7	Confident	121 Å²	121	53.7 Å²	53.7	57%	0.565	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-29.4	170.4	-71.7	170.7	-173.8	0	0	110.6	A74 D79 K82	A74-E77 HydrophobicContact CB-CB 4.5Å; A74-E77 HydrophobicContact CB-CG 4.04Å; A74-E77 WeakPolarHBondContact O-CB 3.33Å; A74-E77 PolarHBondContact O-N 3.19Å; E77-D79 PolarHBondContact O-N 2.93Å; E77-D79 VanDerWaalsContact O-N 3.12Å; E77-K82 IonicContact OE2-NZ 2.84Å; E77-K82 PolarHBondContact OE2-NZ 2.58Å
78	N	59.8	Low	80.7	Confident	29 Å²	29	60.2 Å²	60.2	16%	0.155	28%	0.282	C	S	.	.			trans	51.8	38.4	171.9	-135.1	43.5	0	0	0	112.9	A74 L75 Y76 E80 R220 Y223	A74-N78 PolarHBondContact O-N 2.64Å; L75-N78 PolarHBondContact O-OD1 3.32Å; Y76-N78 PolarHBondContact O-N 2.89Å; N78-E80 PolarHBondContact O-N 3.47Å; N78-E80 VanDerWaalsContact O-N 3.1Å; N78-R220 PolarHBondContact ND2-NH1 3.06Å; N78-R220 PolarHBondContact ND2-NH2 2.96Å; N78-R220 PolarHBondContact OD1-NE 3.3Å; N78-R220 PolarHBondContact OD1-NH2 3.5Å; N78-Y223 WeakPolarHBondContact ND2-CE1 3.41Å
79	D	71.2	Confident	80.8	Confident	50 Å²	50	61.3 Å²	61.3	27%	0.267	29%	0.288	S	S	.	.			trans	-76.5	97.6	-172	-167.7	-17.6	0	0	0	109.5	E77 E81 K82 L83	E77-D79 PolarHBondContact O-N 2.93Å; E77-D79 VanDerWaalsContact O-N 3.12Å; D79-E81 PolarHBondContact O-N 3.1Å; D79-E81 WeakPolarHBondContact OD1-CB 3.45Å; D79-E81 PolarHBondContact OD1-N 2.9Å; D79-E81 VanDerWaalsContact OD1-N 3.1Å; D79-K82 HydrophobicContact CB-CB 4.14Å; D79-K82 HydrophobicContact CB-CD 4.08Å; D79-K82 HydrophobicContact CB-CG 4.14Å; D79-K82 PolarHBondContact O-N 2.89Å; D79-K82 PolarHBondContact OD1-N 3.49Å; D79-K82 WeakPolarHBondContact OD2-CD 3.24Å; D79-K82 WeakPolarHBondContact OD2-CE 3.42Å; D79-K82 WeakPolarHBondContact OD2-CG 3.47Å; D79-L83 PolarHBondContact O-N 2.89Å
80	E	81.2	Confident	80.9	Confident	58 Å²	58	55.5 Å²	55.5	27%	0.271	26%	0.26	S	S	.	.	H	α-helix	trans	-56.9	-31.1	177.2	-172.9	177.9	167.1	0	0	110.9	N78 L83 N84 K230	N78-E80 PolarHBondContact O-N 3.47Å; N78-E80 VanDerWaalsContact O-N 3.1Å; E80-L83 PolarHBondContact O-N 2.81Å; E80-N84 WeakPolarHBondContact O-CB 3.37Å; E80-N84 PolarHBondContact O-N 3.12Å; E80-N84 PolarHBondContact O-ND2 3.3Å; E80-N84 PolarHBondContact O-OD1 3.18Å; E80-K230 IonicContact OE1-NZ 3.64Å; E80-K230 PolarHBondContact OE1-NZ 3.09Å
81	E	85.7	Confident	80.9	Confident	123 Å²	123	56.2 Å²	56.2	58%	0.575	26%	0.264	S	S	*	.	H	α-helix	trans	-66.4	-47.8	178.8	-165.3	-178.2	161.7	0	0	111.2	D79 L83 N84 Q85	D79-E81 PolarHBondContact O-N 3.1Å; D79-E81 WeakPolarHBondContact OD1-CB 3.45Å; D79-E81 PolarHBondContact OD1-N 2.9Å; D79-E81 VanDerWaalsContact OD1-N 3.1Å; E81-L83 VanDerWaalsContact C-N 3.31Å; E81-L83 PolarHBondContact O-N 3.41Å; E81-N84 WeakPolarHBondContact O-CB 3.43Å; E81-N84 PolarHBondContact O-N 3.1Å; E81-N84 VanDerWaalsContact O-N 3.13Å; E81-Q85 WeakPolarHBondContact O-CG 3.17Å; E81-Q85 PolarHBondContact O-N 3.1Å; E81-Q85 PolarHBondContact OE1-NE2 3.15Å
82	K	88.1	Confident	81	Confident	63 Å²	63	58.3 Å²	58.3	27%	0.274	28%	0.278	S	S	.	.	H	α-helix	trans	-63.5	-37.1	177.1	-71.7	-178.2	-174	179.9	0	112.7	C73 E77 D79 Q85 A86	C73-K82 HydrophobicContact CB-CB 4.08Å; C73-K82 HydrophobicContact CB-CD 3.26Å; C73-K82 HydrophobicContact CB-CG 4.33Å; E77-K82 IonicContact OE2-NZ 2.84Å; E77-K82 PolarHBondContact OE2-NZ 2.58Å; D79-K82 HydrophobicContact CB-CB 4.14Å; D79-K82 HydrophobicContact CB-CD 4.08Å; D79-K82 HydrophobicContact CB-CG 4.14Å; D79-K82 PolarHBondContact O-N 2.89Å; D79-K82 PolarHBondContact OD1-N 3.49Å; D79-K82 WeakPolarHBondContact OD2-CD 3.24Å; D79-K82 WeakPolarHBondContact OD2-CE 3.42Å; D79-K82 WeakPolarHBondContact OD2-CG 3.47Å; K82-Q85 PolarHBondContact O-N 2.98Å; K82-A86 WeakPolarHBondContact O-CB 3.34Å; K82-A86 PolarHBondContact O-N 3.12Å
83	L	89.9	Confident	81.2	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-63.4	-44.4	172.7	-178.9	62.3	0	0	0	111.4	Y67 F70 A71 D79 E80 E81 Q85 A86 I87 N227 L228	Y67-L83 HydrophobicContact CE2-CD1 4.09Å; Y67-L83 HydrophobicContact CE2-CD2 4.48Å; F70-L83 HydrophobicContact CD1-CD1 4.24Å; F70-L83 HydrophobicContact CE1-CD1 4.02Å; A71-L83 HydrophobicContact CB-CD1 4.43Å; D79-L83 PolarHBondContact O-N 2.89Å; E80-L83 PolarHBondContact O-N 2.81Å; E81-L83 VanDerWaalsContact C-N 3.31Å; E81-L83 PolarHBondContact O-N 3.41Å; L83-Q85 VanDerWaalsContact C-N 3.33Å; L83-Q85 PolarHBondContact O-N 3.36Å; L83-A86 PolarHBondContact O-N 3.26Å; L83-I87 HydrophobicContact CD1-CG1 4.29Å; L83-I87 HydrophobicContact CG-CG1 4.47Å; L83-I87 VanDerWaalsContact O-CG1 3.24Å; L83-I87 WeakPolarHBondContact O-CG1 3.4Å; L83-I87 PolarHBondContact O-N 2.88Å; L83-N227 HydrophobicContact CD2-CB 3.94Å; L83-L228 HydrophobicContact CD1-CD2 3.76Å; L83-L228 HydrophobicContact CD2-CD2 4.16Å; L83-L228 HydrophobicContact CD2-CG 4.17Å; L83-L228 HydrophobicContact CG-CD2 4.49Å
84	N	91.1	Very high	81.9	Confident	21 Å²	21	52.1 Å²	52.1	11%	0.112	25%	0.248	C	C	.	.	H	α-helix	trans	-60.4	-44.1	177	-68.6	-21.6	0	0	0	111.5	E80 E81 I87 Y88 S231 Y235	E80-N84 WeakPolarHBondContact O-CB 3.37Å; E80-N84 PolarHBondContact O-N 3.12Å; E80-N84 PolarHBondContact O-ND2 3.3Å; E80-N84 PolarHBondContact O-OD1 3.18Å; E81-N84 WeakPolarHBondContact O-CB 3.43Å; E81-N84 PolarHBondContact O-N 3.1Å; E81-N84 VanDerWaalsContact O-N 3.13Å; N84-I87 PolarHBondContact O-N 2.85Å; N84-Y88 WeakPolarHBondContact O-CB 3.44Å; N84-Y88 PolarHBondContact O-N 3.32Å; N84-S231 VanDerWaalsContact OD1-CB 3.24Å; N84-S231 WeakPolarHBondContact OD1-CB 3.33Å; N84-S231 PolarHBondContact OD1-OG 3.14Å; N84-Y235 HydrophobicContact CB-CD2 4.06Å; N84-Y235 HydrophobicContact CB-CE2 3.51Å; N84-Y235 WeakPolarHBondContact OD1-CE2 3.34Å
85	Q	90.7	Very high	82.9	Confident	106 Å²	106	56.7 Å²	56.7	50%	0.495	27%	0.265	S	S	.	.	H	α-helix	trans	-60.1	-46.4	176.1	-71.4	173.2	2.8	0	0	111.5	E81 K82 L83 I87 Y88 Q89	E81-Q85 WeakPolarHBondContact O-CG 3.17Å; E81-Q85 PolarHBondContact O-N 3.1Å; E81-Q85 PolarHBondContact OE1-NE2 3.15Å; K82-Q85 PolarHBondContact O-N 2.98Å; L83-Q85 VanDerWaalsContact C-N 3.33Å; L83-Q85 PolarHBondContact O-N 3.36Å; Q85-I87 VanDerWaalsContact C-N 3.34Å; Q85-I87 PolarHBondContact O-N 2.72Å; Q85-Y88 PolarHBondContact O-N 3.41Å; Q85-Q89 WeakPolarHBondContact O-CB 3.36Å; Q85-Q89 PolarHBondContact O-N 3.43Å
86	A	92.2	Very high	84	Confident	12 Å²	12	62.8 Å²	62.8	10%	0.099	30%	0.297	C	S	.	.	H	α-helix	trans	-61.3	-40.3	176.9	0	0	0	0	0	112.6	F70 K82 L83 L90	F70-A86 HydrophobicContact CD1-CB 4.27Å; F70-A86 HydrophobicContact CE1-CB 3.94Å; F70-A86 HydrophobicContact CZ-CB 4.18Å; F70-A86 WeakPolarHBondContact O-CB 3.25Å; K82-A86 WeakPolarHBondContact O-CB 3.34Å; K82-A86 PolarHBondContact O-N 3.12Å; L83-A86 PolarHBondContact O-N 3.26Å; A86-L90 WeakPolarHBondContact O-CB 3.44Å; A86-L90 PolarHBondContact O-N 3.46Å
87	I	93.6	Very high	85.3	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-69.8	-38.7	177.1	-62.4	-74.2	0	0	0	111.5	F70 L83 N84 Q85 L90 K91 F129 L236	F70-I87 HydrophobicContact CE1-CD1 3.77Å; F70-I87 HydrophobicContact CE1-CG1 4.27Å; F70-I87 HydrophobicContact CZ-CD1 3.78Å; F70-I87 HydrophobicContact CZ-CG1 4.46Å; L83-I87 HydrophobicContact CD1-CG1 4.29Å; L83-I87 HydrophobicContact CG-CG1 4.47Å; L83-I87 VanDerWaalsContact O-CG1 3.24Å; L83-I87 WeakPolarHBondContact O-CG1 3.4Å; L83-I87 PolarHBondContact O-N 2.88Å; N84-I87 PolarHBondContact O-N 2.85Å; Q85-I87 VanDerWaalsContact C-N 3.34Å; Q85-I87 PolarHBondContact O-N 2.72Å; I87-L90 PolarHBondContact O-N 2.93Å; I87-K91 PolarHBondContact O-N 3.11Å; I87-F129 HydrophobicContact CD1-CD2 3.62Å; I87-F129 HydrophobicContact CD1-CE2 3.49Å; I87-F129 VanDerWaalsContact CD1-CE2 3.49Å; I87-L236 HydrophobicContact CG2-CB 3.93Å
88	Y	91.5	Very high	86.6	Confident	138 Å²	138	58.3 Å²	58.3	54%	0.541	28%	0.284	S	S	.	.	H	α-helix	trans	-64.6	-42.8	175.4	-179.3	-92.8	0	0	0	112	N84 Q85 K91 S92 Y235	N84-Y88 WeakPolarHBondContact O-CB 3.44Å; N84-Y88 PolarHBondContact O-N 3.32Å; Q85-Y88 PolarHBondContact O-N 3.41Å; Y88-K91 WeakPolarHBondContact O-CB 3.39Å; Y88-K91 PolarHBondContact O-N 3.12Å; Y88-S92 PolarHBondContact O-N 3.43Å; Y88-S92 VanDerWaalsContact O-N 3.08Å; Y88-S92 PolarHBondContact O-OG 3.43Å; Y88-S92 VanDerWaalsContact O-OG 3.04Å; Y88-Y235 HydrophobicContact CD2-CD1 4.14Å
89	Q	91.2	Very high	88	Confident	92 Å²	92	60.6 Å²	60.6	43%	0.43	29%	0.291	S	S	.	.	H	α-helix	trans	-62.2	-46.4	173.8	-177.2	-179.9	-18.4	0	0	110.7	Q85 K91 S92 E93	Q85-Q89 WeakPolarHBondContact O-CB 3.36Å; Q85-Q89 PolarHBondContact O-N 3.43Å; Q89-K91 VanDerWaalsContact C-N 3.27Å; Q89-K91 PolarHBondContact O-N 2.9Å; Q89-S92 WeakPolarHBondContact O-CB 3.21Å; Q89-S92 PolarHBondContact O-N 3.13Å; Q89-E93 PolarHBondContact NE2-OE1 2.9Å; Q89-E93 WeakPolarHBondContact O-CG 3.47Å; Q89-E93 PolarHBondContact O-N 2.95Å
90	L	92.5	Very high	88.9	Confident	2 Å²	2	63.7 Å²	63.7	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-56.5	-41.5	175.9	177.5	60.9	0	0	0	111.6	F70 A86 I87 E93 L94 I111 N125 V126 F129	F70-L90 HydrophobicContact CE2-CD2 4.15Å; F70-L90 HydrophobicContact CZ-CD2 4.06Å; A86-L90 WeakPolarHBondContact O-CB 3.44Å; A86-L90 PolarHBondContact O-N 3.46Å; I87-L90 PolarHBondContact O-N 2.93Å; L90-E93 PolarHBondContact O-N 3.45Å; L90-L94 HydrophobicContact CD1-CD1 4.07Å; L90-L94 HydrophobicContact CD1-CG 4.15Å; L90-L94 HydrophobicContact CG-CD1 3.87Å; L90-L94 HydrophobicContact CG-CG 4.39Å; L90-L94 WeakPolarHBondContact O-CB 3.26Å; L90-L94 WeakPolarHBondContact O-CD1 2.97Å; L90-L94 WeakPolarHBondContact O-CG 3.39Å; L90-L94 PolarHBondContact O-N 3.08Å; L90-I111 HydrophobicContact CD2-CD1 3.77Å; L90-N125 HydrophobicContact CD1-CB 3.92Å; L90-V126 HydrophobicContact CD1-CG2 3.79Å; L90-F129 HydrophobicContact CD2-CB 4.02Å; L90-F129 HydrophobicContact CD2-CD2 4.15Å; L90-F129 HydrophobicContact CD2-CG 4.08Å
91	K	90.8	Very high	89.4	Confident	26 Å²	26	63.1 Å²	63.1	11%	0.113	30%	0.3	C	S	.	.	H	α-helix	trans	-58.6	-49.7	173.5	175.3	170.3	175.6	-174.4	0	112	I87 Y88 Q89 E93 L94 E95 Y235 L236 S238	I87-K91 PolarHBondContact O-N 3.11Å; Y88-K91 WeakPolarHBondContact O-CB 3.39Å; Y88-K91 PolarHBondContact O-N 3.12Å; Q89-K91 VanDerWaalsContact C-N 3.27Å; Q89-K91 PolarHBondContact O-N 2.9Å; K91-E93 PolarHBondContact O-N 3.26Å; K91-L94 WeakPolarHBondContact O-CA 3.41Å; K91-L94 WeakPolarHBondContact O-CB 3.48Å; K91-L94 PolarHBondContact O-N 3.38Å; K91-E95 PolarHBondContact O-N 3.09Å; K91-E95 VanDerWaalsContact O-N 3.12Å; K91-Y235 WeakPolarHBondContact CD-O 3.26Å; K91-Y235 PolarHBondContact NZ-O 3.02Å; K91-L236 HydrophobicContact CB-CD1 3.74Å; K91-L236 HydrophobicContact CG-CD1 4.3Å; K91-S238 PolarHBondContact NZ-O 2.96Å
92	S	90	Very high	89.6	Confident	47 Å²	47	60.6 Å²	60.6	33%	0.329	29%	0.289	S	S	.	.	H	α-helix	trans	-58.9	-39.8	-178.9	-53.5	0	0	0	0	111.2	Y88 Q89	Y88-S92 PolarHBondContact O-N 3.43Å; Y88-S92 VanDerWaalsContact O-N 3.08Å; Y88-S92 PolarHBondContact O-OG 3.43Å; Y88-S92 VanDerWaalsContact O-OG 3.04Å; Q89-S92 WeakPolarHBondContact O-CB 3.21Å; Q89-S92 PolarHBondContact O-N 3.13Å
93	E	88.3	Confident	89.4	Confident	27 Å²	27	64.5 Å²	64.5	13%	0.126	30%	0.302	C	S	.	.	H	α-helix	trans	-65.1	-38.7	174.7	-70.3	174.5	-171.3	0	0	112.3	Q89 L90 K91 E95 F97 T122 N125	Q89-E93 PolarHBondContact NE2-OE1 2.9Å; Q89-E93 WeakPolarHBondContact O-CG 3.47Å; Q89-E93 PolarHBondContact O-N 2.95Å; L90-E93 PolarHBondContact O-N 3.45Å; K91-E93 PolarHBondContact O-N 3.26Å; E93-E95 VanDerWaalsContact C-N 3.34Å; E93-E95 PolarHBondContact O-N 3.14Å; E93-F97 VanDerWaalsContact O-CD2 3.28Å; E93-F97 WeakPolarHBondContact O-CD2 3Å; E93-F97 WeakPolarHBondContact O-CE2 3.22Å; E93-T122 HydrophobicContact CB-CG2 3.71Å; E93-N125 PolarHBondContact OE1-ND2 2.88Å; E93-N125 VanDerWaalsContact OE1-ND2 3.13Å; E93-N125 PolarHBondContact OE2-ND2 3.36Å
94	L	88.8	Confident	89	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-72.5	-19.1	-179.2	-74.8	172	0	0	0	114.5	L90 K91 N96 F97 W99 I111 L113 T122 V126 L236	L90-L94 HydrophobicContact CD1-CD1 4.07Å; L90-L94 HydrophobicContact CD1-CG 4.15Å; L90-L94 HydrophobicContact CG-CD1 3.87Å; L90-L94 HydrophobicContact CG-CG 4.39Å; L90-L94 WeakPolarHBondContact O-CB 3.26Å; L90-L94 WeakPolarHBondContact O-CD1 2.97Å; L90-L94 WeakPolarHBondContact O-CG 3.39Å; L90-L94 PolarHBondContact O-N 3.08Å; K91-L94 WeakPolarHBondContact O-CA 3.41Å; K91-L94 WeakPolarHBondContact O-CB 3.48Å; K91-L94 PolarHBondContact O-N 3.38Å; L94-N96 PolarHBondContact O-N 3.49Å; L94-N96 VanDerWaalsContact O-N 3.1Å; L94-F97 PolarHBondContact O-N 3.22Å; L94-F97 VanDerWaalsContact O-O 3.12Å; L94-W99 HydrophobicContact CB-CD2 4.41Å; L94-W99 HydrophobicContact CB-CG 4.19Å; L94-W99 HydrophobicContact CD1-CD2 4.08Å; L94-W99 HydrophobicContact CD1-CE3 4.33Å; L94-W99 HydrophobicContact CD1-CG 4.38Å; L94-W99 HydrophobicContact CD2-CB 4.07Å; L94-W99 HydrophobicContact CD2-CG 4.01Å; L94-W99 HydrophobicContact CG-CG 4.44Å; L94-W99 VanDerWaalsContact O-CD1 3.29Å; L94-I111 HydrophobicContact CD1-CD1 4.19Å; L94-I111 HydrophobicContact CD1-CG2 4.35Å; L94-I111 HydrophobicContact CD2-CG2 4.33Å; L94-L113 HydrophobicContact CD2-CD2 3.36Å; L94-L113 HydrophobicContact CD2-CG 4.47Å; L94-T122 HydrophobicContact CD2-CG2 4.13Å; L94-T122 HydrophobicContact CG-CG2 4.47Å; L94-V126 HydrophobicContact CD2-CG2 3.82Å; L94-L236 HydrophobicContact CD1-CD1 3.69Å
95	E	86.2	Confident	88.4	Confident	127 Å²	127	74.5 Å²	74.5	59%	0.593	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-25.2	178.5	-70.5	-176.4	166.8	0	0	113	K91 E93 F97	K91-E95 PolarHBondContact O-N 3.09Å; K91-E95 VanDerWaalsContact O-N 3.12Å; E93-E95 VanDerWaalsContact C-N 3.34Å; E93-E95 PolarHBondContact O-N 3.14Å; E95-F97 VanDerWaalsContact C-N 3.31Å
96	N	83.1	Confident	87.8	Confident	137 Å²	137	78.3 Å²	78.3	73%	0.733	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	0.2	178.4	-59.2	-60.1	0	0	0	113.8	L94	L94-N96 PolarHBondContact O-N 3.49Å; L94-N96 VanDerWaalsContact O-N 3.1Å
97	F	85.8	Confident	87.3	Confident	46 Å²	46	80.5 Å²	80.5	20%	0.202	37%	0.365	C	S	.	.	S	Bend	trans	-126.8	152.5	-173.8	-60.9	-88.5	0	0	0	111.3	E93 L94 E95 W99 L113 N120 T122	E93-F97 VanDerWaalsContact O-CD2 3.28Å; E93-F97 WeakPolarHBondContact O-CD2 3Å; E93-F97 WeakPolarHBondContact O-CE2 3.22Å; L94-F97 PolarHBondContact O-N 3.22Å; L94-F97 VanDerWaalsContact O-O 3.12Å; E95-F97 VanDerWaalsContact C-N 3.31Å; F97-W99 PolarHBondContact O-N 3.14Å; F97-L113 HydrophobicContact CB-CD2 3.9Å; F97-L113 HydrophobicContact CG-CD2 4.28Å; F97-N120 WeakPolarHBondContact CE1-ND2 3.24Å; F97-N120 WeakPolarHBondContact CZ-ND2 3.39Å; F97-T122 HydrophobicContact CD2-CG2 4.04Å; F97-T122 HydrophobicContact CE2-CG2 3.9Å
98	N	87	Confident	86.9	Confident	120 Å²	120	83.7 Å²	83.7	64%	0.642	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.5	117	163.8	-66.5	-46.9	0	0	0	107.8	L114	N98-L114 HydrophobicContact CB-CB 4.1Å; N98-L114 WeakPolarHBondContact CB-O 3.47Å; N98-L114 WeakPolarHBondContact O-CA 3.2Å; N98-L114 WeakPolarHBondContact O-CB 3.44Å; N98-L114 PolarHBondContact O-N 2.93Å
99	W	89.6	Confident	86.8	Confident	77 Å²	77	77.3 Å²	77.3	29%	0.292	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	159.9	-177.4	68.7	-86.8	0	0	0	111.9	L94 F97 L101 I111 N112 L113 L236	L94-W99 HydrophobicContact CB-CD2 4.41Å; L94-W99 HydrophobicContact CB-CG 4.19Å; L94-W99 HydrophobicContact CD1-CD2 4.08Å; L94-W99 HydrophobicContact CD1-CE3 4.33Å; L94-W99 HydrophobicContact CD1-CG 4.38Å; L94-W99 HydrophobicContact CD2-CB 4.07Å; L94-W99 HydrophobicContact CD2-CG 4.01Å; L94-W99 HydrophobicContact CG-CG 4.44Å; L94-W99 VanDerWaalsContact O-CD1 3.29Å; F97-W99 PolarHBondContact O-N 3.14Å; W99-L101 HydrophobicContact CZ3-CB 4.05Å; W99-I111 HydrophobicContact CB-CG2 4.42Å; W99-I111 HydrophobicContact CE3-CG2 4.18Å; W99-N112 CarbonylContact C-O 3.56Å; W99-N112 WeakPolarHBondContact CA-O 3.36Å; W99-L113 HydrophobicContact CB-CD2 3.88Å; W99-L236 HydrophobicContact CH2-CD1 3.77Å; W99-L236 HydrophobicContact CH2-CD2 4.14Å; W99-L236 HydrophobicContact CH2-CG 3.64Å; W99-L236 HydrophobicContact CZ2-CD1 4.05Å; W99-L236 HydrophobicContact CZ2-CG 4.38Å; W99-L236 HydrophobicContact CZ3-CD1 4.29Å; W99-L236 HydrophobicContact CZ3-CD2 4.02Å; W99-L236 HydrophobicContact CZ3-CG 4.04Å
100	K	89.9	Confident	86.9	Confident	115 Å²	115	77.2 Å²	77.2	50%	0.5	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	132.3	176.7	-177.8	-174	172	-152.4	0	110.3	E102 I111 N112	K100-E102 HydrophobicContact CD-CG 4.15Å; K100-E102 HydrophobicContact CG-CG 4.25Å; K100-E102 IonicContact NZ-OE1 3.51Å; K100-E102 PolarHBondContact NZ-OE1 2.95Å; K100-I111 WeakPolarHBondContact O-CA 3.49Å; K100-N112 PolarHBondContact N-O 3.46Å; K100-N112 PolarHBondContact O-N 2.87Å
101	L	91.3	Very high	86.8	Confident	46 Å²	46	77.2 Å²	77.2	24%	0.241	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	126.4	167	-173.4	70.3	0	0	0	110.2	W99 M109 I111 F129 T232 I237	W99-L101 HydrophobicContact CZ3-CB 4.05Å; L101-M109 HydrophobicContact CD1-CB 4.33Å; L101-I111 HydrophobicContact CD1-CG1 3.74Å; L101-F129 HydrophobicContact CD1-CE1 4.32Å; L101-T232 HydrophobicContact CD1-CG2 4.41Å; L101-T232 HydrophobicContact CD2-CG2 3.59Å; L101-I237 HydrophobicContact CD2-CD1 3.62Å; L101-I237 HydrophobicContact CD2-CG1 4.06Å
102	E	90.4	Very high	86.7	Confident	71 Å²	71	77.6 Å²	77.6	33%	0.332	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	137.2	175.6	-63.7	-169.4	156.5	0	0	110.7	K100 M109 K110 N112	K100-E102 HydrophobicContact CD-CG 4.15Å; K100-E102 HydrophobicContact CG-CG 4.25Å; K100-E102 IonicContact NZ-OE1 3.51Å; K100-E102 PolarHBondContact NZ-OE1 2.95Å; E102-M109 CarbonylContact O-C 3.48Å; E102-M109 WeakPolarHBondContact O-CA 3.47Å; E102-K110 PolarHBondContact N-O 2.8Å; E102-K110 PolarHBondContact O-N 2.95Å; E102-N112 PolarHBondContact OE1-ND2 2.88Å; E102-N112 PolarHBondContact OE2-ND2 3.33Å
103	R	84.7	Confident	86.5	Confident	144 Å²	144	75.9 Å²	75.9	54%	0.543	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	86	173.9	-167.5	179.3	-177.1	147.6	4	109.9	R106 K108 L229	R103-R106 PolarHBondContact NH2-O 3.18Å; R103-K108 WeakPolarHBondContact CG-O 3.47Å; R103-L229 VanDerWaalsContact NH1-CD2 3.26Å
104	S	79.7	Confident	86.1	Confident	67 Å²	67	79.4 Å²	79.4	47%	0.469	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	-30.1	-176.7	44.2	0	0	0	0	113.3	K108	S104-K108 PolarHBondContact N-O 3.21Å
105	Y	79.2	Confident	85.3	Confident	165 Å²	165	83.1 Å²	83.1	65%	0.647	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.5	168.9	-178.5	-59.2	-81.2	0	0	0	112.4	Y107 K108	Y105-Y107 PolarHBondContact O-N 3Å; Y105-Y107 VanDerWaalsContact O-N 3.12Å; Y105-K108 HydrophobicContact CD2-CB 4.34Å; Y105-K108 HydrophobicContact CD2-CD 4.13Å; Y105-K108 PolarHBondContact O-N 3.39Å; Y105-K108 VanDerWaalsContact O-N 3.15Å
106	R	78.6	Confident	84.1	Confident	186 Å²	186	84.1 Å²	84.1	70%	0.702	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-41.2	-179.5	-174.6	175.5	-176.9	177.4	1.1	113.2	R103	R103-R106 PolarHBondContact NH2-O 3.18Å
107	Y	81.7	Confident	82.9	Confident	58 Å²	58	84.1 Å²	84.1	23%	0.227	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	22.8	-176.7	-55.6	-66	0	0	0	113.9	Y105 S137 I140 F225	Y105-Y107 PolarHBondContact O-N 3Å; Y105-Y107 VanDerWaalsContact O-N 3.12Å; Y107-S137 VanDerWaalsContact O-CB 3.25Å; Y107-S137 WeakPolarHBondContact O-CB 3.29Å; Y107-I140 HydrophobicContact CD1-CD1 3.78Å; Y107-I140 HydrophobicContact CD2-CG2 4.16Å; Y107-I140 HydrophobicContact CE1-CD1 4.29Å; Y107-I140 HydrophobicContact CE2-CG2 4.14Å; Y107-I140 HydrophobicContact CG-CD1 3.99Å; Y107-F225 VanDerWaalsContact CA-CZ 3.43Å; Y107-F225 AromaticContact CD1-CD1 3.85Å; Y107-F225 HydrophobicContact CD1-CD1 3.85Å; Y107-F225 AromaticContact CD1-CE1 3.82Å; Y107-F225 HydrophobicContact CD1-CE1 3.82Å; Y107-F225 WeakPolarHBondContact O-CE2 3.16Å
108	K	85	Confident	81.7	Confident	66 Å²	66	87.9 Å²	87.9	29%	0.287	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	119.9	-178.1	-168.6	172.3	-176.4	172.3	0	110.9	R103 S104 Y105	R103-K108 WeakPolarHBondContact CG-O 3.47Å; S104-K108 PolarHBondContact N-O 3.21Å; Y105-K108 HydrophobicContact CD2-CB 4.34Å; Y105-K108 HydrophobicContact CD2-CD 4.13Å; Y105-K108 PolarHBondContact O-N 3.39Å; Y105-K108 VanDerWaalsContact O-N 3.15Å
109	M	89.1	Confident	80.4	Confident	5 Å²	5	91 Å²	91	3%	0.025	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	150.9	166.8	59.1	179.8	174.9	0	0	109.9	L101 E102 F129 N133 L228 L229 T232	L101-M109 HydrophobicContact CD1-CB 4.33Å; E102-M109 CarbonylContact O-C 3.48Å; E102-M109 WeakPolarHBondContact O-CA 3.47Å; M109-F129 HydrophobicContact CE-CE2 4.05Å; M109-F129 HydrophobicContact CE-CZ 3.62Å; M109-F129 HydrophobicContact CG-CE1 4.39Å; M109-F129 HydrophobicContact CG-CZ 4.28Å; M109-F129 HydrophobicContact SD-CZ 3.9Å; M109-N133 WeakPolarHBondContact CE-OD1 2.97Å; M109-N133 HydrophobicContact CG-CB 4.24Å; M109-N133 WeakPolarHBondContact CG-OD1 3.09Å; M109-N133 VanDerWaalsContact O-CB 3.22Å; M109-N133 WeakPolarHBondContact O-CB 3.41Å; M109-L228 HydrophobicContact CE-CB 3.63Å; M109-L229 HydrophobicContact CE-CD2 4.24Å; M109-L229 HydrophobicContact SD-CD2 3.76Å; M109-T232 HydrophobicContact SD-CG2 4.24Å
110	K	92.3	Very high	79.7	Confident	90 Å²	90	90.1 Å²	90.1	39%	0.391	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	135.9	-177.9	-169.2	-167.2	176.1	-152.3	0	110.1	E102 N112 N130	E102-K110 PolarHBondContact N-O 2.8Å; E102-K110 PolarHBondContact O-N 2.95Å; K110-N112 WeakPolarHBondContact CD-OD1 3.3Å; K110-N112 VanDerWaalsContact CE-OD1 3.23Å; K110-N112 WeakPolarHBondContact CE-OD1 3.31Å; K110-N112 PolarHBondContact NZ-OD1 3.35Å; K110-N130 VanDerWaalsContact CA-OD1 3.25Å; K110-N130 WeakPolarHBondContact CA-OD1 3.44Å; K110-N130 HydrophobicContact CG-CB 4.28Å; K110-N130 WeakPolarHBondContact CG-OD1 3.4Å
111	I	91.5	Very high	79.3	Confident	1 Å²	1	90.2 Å²	90.2	1%	0.005	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	126.9	166.7	-63.3	165.6	0	0	0	108	L90 L94 W99 K100 L101 V126 F129 N130 L236	L90-I111 HydrophobicContact CD2-CD1 3.77Å; L94-I111 HydrophobicContact CD1-CD1 4.19Å; L94-I111 HydrophobicContact CD1-CG2 4.35Å; L94-I111 HydrophobicContact CD2-CG2 4.33Å; W99-I111 HydrophobicContact CB-CG2 4.42Å; W99-I111 HydrophobicContact CE3-CG2 4.18Å; K100-I111 WeakPolarHBondContact O-CA 3.49Å; L101-I111 HydrophobicContact CD1-CG1 3.74Å; I111-V126 HydrophobicContact CB-CG1 4.01Å; I111-V126 HydrophobicContact CG2-CG1 3.96Å; I111-V126 HydrophobicContact CG2-CG2 4.08Å; I111-F129 HydrophobicContact CD1-CD1 3.48Å; I111-F129 VanDerWaalsContact CD1-CD1 3.48Å; I111-F129 HydrophobicContact CD1-CE1 3.59Å; I111-F129 HydrophobicContact CD1-CG 4.05Å; I111-F129 HydrophobicContact CD1-CZ 4.23Å; I111-F129 HydrophobicContact CG1-CD1 3.9Å; I111-F129 HydrophobicContact CG1-CE1 3.74Å; I111-N130 PolarHBondContact N-OD1 3.28Å; I111-N130 PolarHBondContact O-ND2 3.43Å; I111-L236 HydrophobicContact CD1-CD2 3.65Å; I111-L236 HydrophobicContact CG1-CD2 4.2Å
112	N	89.4	Confident	79	Confident	34 Å²	34	88.8 Å²	88.8	18%	0.182	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	131.4	169.5	-63.2	-44.7	0	0	0	109.2	W99 K100 E102 K110	W99-N112 CarbonylContact C-O 3.56Å; W99-N112 WeakPolarHBondContact CA-O 3.36Å; K100-N112 PolarHBondContact N-O 3.46Å; K100-N112 PolarHBondContact O-N 2.87Å; E102-N112 PolarHBondContact OE1-ND2 2.88Å; E102-N112 PolarHBondContact OE2-ND2 3.33Å; K110-N112 WeakPolarHBondContact CD-OD1 3.3Å; K110-N112 VanDerWaalsContact CE-OD1 3.23Å; K110-N112 WeakPolarHBondContact CE-OD1 3.31Å; K110-N112 PolarHBondContact NZ-OD1 3.35Å
113	L	85.1	Confident	78.7	Confident	12 Å²	12	87.2 Å²	87.2	6%	0.063	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	140.7	173.1	-70.9	175.3	0	0	0	110.1	L94 F97 W99 H123 V126	L94-L113 HydrophobicContact CD2-CD2 3.36Å; L94-L113 HydrophobicContact CD2-CG 4.47Å; F97-L113 HydrophobicContact CB-CD2 3.9Å; F97-L113 HydrophobicContact CG-CD2 4.28Å; W99-L113 HydrophobicContact CB-CD2 3.88Å; L113-H123 WeakPolarHBondContact CD1-CE1 3.28Å; L113-H123 VanDerWaalsContact CD1-ND1 3.35Å; L113-H123 WeakPolarHBondContact CD1-ND1 3.37Å; L113-V126 HydrophobicContact CD1-CB 4.16Å; L113-V126 HydrophobicContact CD1-CG1 4.24Å; L113-V126 HydrophobicContact CD1-CG2 3.93Å; L113-V126 HydrophobicContact CD2-CG2 4.42Å; L113-V126 HydrophobicContact CG-CG1 4.32Å; L113-V126 HydrophobicContact CG-CG2 4.22Å
114	L	80.3	Confident	78.9	Confident	101 Å²	101	83.3 Å²	83.3	53%	0.529	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	136.3	179.5	-61.9	172	0	0	0	110.3	N98	N98-L114 HydrophobicContact CB-CB 4.1Å; N98-L114 WeakPolarHBondContact CB-O 3.47Å; N98-L114 WeakPolarHBondContact O-CA 3.2Å; N98-L114 WeakPolarHBondContact O-CB 3.44Å; N98-L114 PolarHBondContact O-N 2.93Å
115	P	72.1	Confident	79.4	Confident	78 Å²	78	81.4 Å²	81.4	51%	0.506	40%	0.398	S	S	.	.	S	Bend	cis	-69.8	170.5	-21.4	33.6	-34.6	0	0	0	111	F117	P115-F117 VanDerWaalsContact C-N 3.33Å; P115-F117 HydrophobicContact CG-CD2 3.77Å; P115-F117 HydrophobicContact CG-CE2 3.35Å; P115-F117 HydrophobicContact CG-CZ 4.05Å; P115-F117 PolarHBondContact O-N 3.45Å
116	N	61.3	Low	80	Confident	148 Å²	148	73.9 Å²	73.9	79%	0.791	37%	0.369	S	S	*	.			trans	-69.2	84.7	177.3	-68.6	-16.8	0	0	0	110.4
117	F	57.4	Low	80.6	Confident	136 Å²	136	71.6 Å²	71.6	60%	0.596	37%	0.366	S	S	*	.			trans	-81.6	152.1	165.1	-76	-72.2	0	0	0	110.6	P115 H123	P115-F117 VanDerWaalsContact C-N 3.33Å; P115-F117 HydrophobicContact CG-CD2 3.77Å; P115-F117 HydrophobicContact CG-CE2 3.35Å; P115-F117 HydrophobicContact CG-CZ 4.05Å; P115-F117 PolarHBondContact O-N 3.45Å; F117-H123 PolarHBondContact O-CE1 3.17Å; F117-H123 PolarHBondContact O-NE2 3.44Å; F117-H123 VanDerWaalsContact O-NE2 3.08Å
118	T	60.4	Low	81.2	Confident	126 Å²	126	70 Å²	70	77%	0.773	36%	0.361	S	S	*	.			trans	-92.2	128.1	-178.8	39.1	0	0	0	0	110.5
119	E	60.5	Low	81.5	Confident	185 Å²	185	66.9 Å²	66.9	86%	0.864	35%	0.348	S	S	*	.			trans	64.6	73.4	154.7	-59.7	176.6	-171.2	0	0	117.2
120	N	74.1	Confident	81.7	Confident	58 Å²	58	67.8 Å²	67.8	31%	0.31	35%	0.353	S	S	.	.			trans	-128	171	157.1	70.3	25.4	0	0	0	111.1	F97 T122 H123 C124	F97-N120 WeakPolarHBondContact CE1-ND2 3.24Å; F97-N120 WeakPolarHBondContact CZ-ND2 3.39Å; N120-T122 PolarHBondContact O-N 3.46Å; N120-T122 WeakPolarHBondContact OD1-CA 3.06Å; N120-T122 VanDerWaalsContact OD1-CB 3.25Å; N120-T122 WeakPolarHBondContact OD1-CB 3.34Å; N120-T122 PolarHBondContact OD1-N 2.7Å; N120-H123 PolarHBondContact O-N 2.98Å; N120-H123 PolarHBondContact OD1-CD2 3.5Å; N120-H123 PolarHBondContact OD1-N 3.49Å; N120-C124 PolarHBondContact O-N 3Å
121	L	81	Confident	81.8	Confident	118 Å²	118	67.6 Å²	67.6	62%	0.618	35%	0.35	S	S	*	.	H	α-helix	trans	-56.6	-38	179.2	-173.8	65.6	0	0	0	112.3	H123 C124 N125	L121-H123 PolarHBondContact O-N 2.86Å; L121-C124 WeakPolarHBondContact O-CB 3.22Å; L121-C124 PolarHBondContact O-N 3.49Å; L121-N125 PolarHBondContact O-N 2.77Å
122	T	85	Confident	81.8	Confident	15 Å²	15	67.6 Å²	67.6	9%	0.092	35%	0.35	C	S	.	.	H	α-helix	trans	-62.6	-41.5	178.2	-47.9	0	0	0	0	112.3	E93 L94 F97 N120 C124 N125 V126	E93-T122 HydrophobicContact CB-CG2 3.71Å; L94-T122 HydrophobicContact CD2-CG2 4.13Å; L94-T122 HydrophobicContact CG-CG2 4.47Å; F97-T122 HydrophobicContact CD2-CG2 4.04Å; F97-T122 HydrophobicContact CE2-CG2 3.9Å; N120-T122 PolarHBondContact O-N 3.46Å; N120-T122 WeakPolarHBondContact OD1-CA 3.06Å; N120-T122 VanDerWaalsContact OD1-CB 3.25Å; N120-T122 WeakPolarHBondContact OD1-CB 3.34Å; N120-T122 PolarHBondContact OD1-N 2.7Å; T122-C124 VanDerWaalsContact C-N 3.33Å; T122-C124 PolarHBondContact O-N 3Å; T122-N125 PolarHBondContact O-N 2.92Å; T122-V126 WeakPolarHBondContact O-CB 3.42Å; T122-V126 WeakPolarHBondContact O-CG2 3.25Å; T122-V126 PolarHBondContact O-N 3.27Å
123	H	85.1	Confident	81.9	Confident	39 Å²	39	66 Å²	66	18%	0.181	34%	0.341	C	S	.	.	H	α-helix	trans	-61.1	-42.3	175	-84.1	-85	0	0	0	111.5	L113 F117 N120 L121 V126 E127	L113-H123 WeakPolarHBondContact CD1-CE1 3.28Å; L113-H123 VanDerWaalsContact CD1-ND1 3.35Å; L113-H123 WeakPolarHBondContact CD1-ND1 3.37Å; F117-H123 PolarHBondContact O-CE1 3.17Å; F117-H123 PolarHBondContact O-NE2 3.44Å; F117-H123 VanDerWaalsContact O-NE2 3.08Å; N120-H123 PolarHBondContact O-N 2.98Å; N120-H123 PolarHBondContact OD1-CD2 3.5Å; N120-H123 PolarHBondContact OD1-N 3.49Å; L121-H123 PolarHBondContact O-N 2.86Å; H123-V126 PolarHBondContact O-N 3.44Å; H123-E127 WeakPolarHBondContact O-CB 3.45Å; H123-E127 PolarHBondContact O-N 3.37Å
124	C	88.3	Confident	82.3	Confident	62 Å²	62	68.9 Å²	68.9	42%	0.419	35%	0.354	S	S	.	.	H	α-helix	trans	-61.3	-47.8	175.3	-175.1	0	0	0	0	111.3	N120 L121 T122 V126 E127 L128	N120-C124 PolarHBondContact O-N 3Å; L121-C124 WeakPolarHBondContact O-CB 3.22Å; L121-C124 PolarHBondContact O-N 3.49Å; T122-C124 VanDerWaalsContact C-N 3.33Å; T122-C124 PolarHBondContact O-N 3Å; C124-V126 PolarHBondContact O-N 3.46Å; C124-E127 WeakPolarHBondContact O-CB 3.47Å; C124-E127 PolarHBondContact O-N 3.17Å; C124-E127 VanDerWaalsContact O-N 3.14Å; C124-L128 WeakPolarHBondContact O-CG 3.5Å; C124-L128 PolarHBondContact O-N 3.47Å
125	N	90.5	Very high	82.9	Confident	26 Å²	26	64.3 Å²	64.3	14%	0.139	33%	0.33	C	S	.	.	H	α-helix	trans	-64.5	-38.2	179	-71.9	-25.3	0	0	0	112.7	L90 E93 L121 T122 F129	L90-N125 HydrophobicContact CD1-CB 3.92Å; E93-N125 PolarHBondContact OE1-ND2 2.88Å; E93-N125 VanDerWaalsContact OE1-ND2 3.13Å; E93-N125 PolarHBondContact OE2-ND2 3.36Å; L121-N125 PolarHBondContact O-N 2.77Å; T122-N125 PolarHBondContact O-N 2.92Å; N125-F129 WeakPolarHBondContact O-CB 3.24Å; N125-F129 PolarHBondContact O-N 2.9Å
126	V	91.9	Very high	83.8	Confident	8 Å²	8	60.6 Å²	60.6	5%	0.048	31%	0.306	C	S	.	.	H	α-helix	trans	-63.7	-41.7	172.2	167.2	0	0	0	0	111.3	L90 L94 I111 L113 T122 H123 C124 F129 N130	L90-V126 HydrophobicContact CD1-CG2 3.79Å; L94-V126 HydrophobicContact CD2-CG2 3.82Å; I111-V126 HydrophobicContact CB-CG1 4.01Å; I111-V126 HydrophobicContact CG2-CG1 3.96Å; I111-V126 HydrophobicContact CG2-CG2 4.08Å; L113-V126 HydrophobicContact CD1-CB 4.16Å; L113-V126 HydrophobicContact CD1-CG1 4.24Å; L113-V126 HydrophobicContact CD1-CG2 3.93Å; L113-V126 HydrophobicContact CD2-CG2 4.42Å; L113-V126 HydrophobicContact CG-CG1 4.32Å; L113-V126 HydrophobicContact CG-CG2 4.22Å; T122-V126 WeakPolarHBondContact O-CB 3.42Å; T122-V126 WeakPolarHBondContact O-CG2 3.25Å; T122-V126 PolarHBondContact O-N 3.27Å; H123-V126 PolarHBondContact O-N 3.44Å; C124-V126 PolarHBondContact O-N 3.46Å; V126-F129 PolarHBondContact O-N 3.27Å; V126-N130 WeakPolarHBondContact CG1-ND2 3.44Å; V126-N130 VanDerWaalsContact O-CB 3.27Å; V126-N130 WeakPolarHBondContact O-CB 3.44Å; V126-N130 PolarHBondContact O-N 2.89Å; V126-N130 PolarHBondContact O-ND2 3.12Å
127	E	91.4	Very high	85.2	Confident	138 Å²	138	55 Å²	55	65%	0.645	28%	0.279	S	S	*	.	H	α-helix	trans	-63.5	-46.9	176.9	-174.4	175.6	178.4	0	0	111.5	H123 C124 F129 N130 R131	H123-E127 WeakPolarHBondContact O-CB 3.45Å; H123-E127 PolarHBondContact O-N 3.37Å; C124-E127 WeakPolarHBondContact O-CB 3.47Å; C124-E127 PolarHBondContact O-N 3.17Å; C124-E127 VanDerWaalsContact O-N 3.14Å; E127-F129 PolarHBondContact O-N 2.89Å; E127-N130 PolarHBondContact O-N 3.21Å; E127-R131 VanDerWaalsContact O-CB 3.24Å; E127-R131 WeakPolarHBondContact O-CB 3.44Å; E127-R131 PolarHBondContact O-N 2.95Å
128	L	92.8	Very high	86.9	Confident	24 Å²	24	51.5 Å²	51.5	13%	0.126	27%	0.269	C	S	.	.	H	α-helix	trans	-57.9	-49.5	175.1	-68.5	175.2	0	0	0	111	I66 Q69 F70 C124 N130 R131 I132	I66-L128 HydrophobicContact CG2-CB 4.39Å; I66-L128 HydrophobicContact CG2-CD2 3.73Å; Q69-L128 HydrophobicContact CB-CD1 4.18Å; Q69-L128 HydrophobicContact CB-CD2 4.37Å; F70-L128 HydrophobicContact CB-CB 4.17Å; F70-L128 HydrophobicContact CB-CD1 4.45Å; F70-L128 HydrophobicContact CD2-CB 4.01Å; F70-L128 HydrophobicContact CG-CB 4.46Å; C124-L128 WeakPolarHBondContact O-CG 3.5Å; C124-L128 PolarHBondContact O-N 3.47Å; L128-N130 VanDerWaalsContact C-N 3.35Å; L128-N130 PolarHBondContact O-N 2.93Å; L128-R131 PolarHBondContact O-N 2.84Å; L128-I132 VanDerWaalsContact O-CG1 3.25Å; L128-I132 WeakPolarHBondContact O-CG1 3.49Å; L128-I132 PolarHBondContact O-N 3.43Å
129	F	92.9	Very high	88.4	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-56	-48.9	176	175.3	-90.7	0	0	0	111.6	F70 I87 L90 L101 M109 I111 N125 V126 E127 R131 I132 N133 L228 T232	F70-F129 HydrophobicContact CE1-CD2 4.33Å; F70-F129 HydrophobicContact CE2-CB 4.03Å; F70-F129 HydrophobicContact CZ-CB 4.18Å; F70-F129 HydrophobicContact CZ-CD2 4.04Å; I87-F129 HydrophobicContact CD1-CD2 3.62Å; I87-F129 HydrophobicContact CD1-CE2 3.49Å; I87-F129 VanDerWaalsContact CD1-CE2 3.49Å; L90-F129 HydrophobicContact CD2-CB 4.02Å; L90-F129 HydrophobicContact CD2-CD2 4.15Å; L90-F129 HydrophobicContact CD2-CG 4.08Å; L101-F129 HydrophobicContact CD1-CE1 4.32Å; M109-F129 HydrophobicContact CE-CE2 4.05Å; M109-F129 HydrophobicContact CE-CZ 3.62Å; M109-F129 HydrophobicContact CG-CE1 4.39Å; M109-F129 HydrophobicContact CG-CZ 4.28Å; M109-F129 HydrophobicContact SD-CZ 3.9Å; I111-F129 HydrophobicContact CD1-CD1 3.48Å; I111-F129 VanDerWaalsContact CD1-CD1 3.48Å; I111-F129 HydrophobicContact CD1-CE1 3.59Å; I111-F129 HydrophobicContact CD1-CG 4.05Å; I111-F129 HydrophobicContact CD1-CZ 4.23Å; I111-F129 HydrophobicContact CG1-CD1 3.9Å; I111-F129 HydrophobicContact CG1-CE1 3.74Å; N125-F129 WeakPolarHBondContact O-CB 3.24Å; N125-F129 PolarHBondContact O-N 2.9Å; V126-F129 PolarHBondContact O-N 3.27Å; E127-F129 PolarHBondContact O-N 2.89Å; F129-R131 VanDerWaalsContact C-N 3.33Å; F129-R131 PolarHBondContact O-N 3.5Å; F129-I132 PolarHBondContact O-N 3.46Å; F129-N133 VanDerWaalsContact CE1-ND2 3.33Å; F129-N133 WeakPolarHBondContact CE1-ND2 3.25Å; F129-N133 WeakPolarHBondContact CZ-ND2 3.49Å; F129-N133 PolarHBondContact O-N 2.78Å; F129-N133 PolarHBondContact O-ND2 2.96Å; F129-L228 HydrophobicContact CE2-CD2 4.39Å; F129-T232 HydrophobicContact CZ-CG2 4.44Å
130	N	93	Very high	89.9	Confident	25 Å²	25	36.9 Å²	36.9	13%	0.134	19%	0.191	C	C	.	.	H	α-helix	trans	-63.1	-40.5	179.8	-74.8	-21	0	0	0	112	K110 I111 V126 E127 L128 N133 E134	K110-N130 VanDerWaalsContact CA-OD1 3.25Å; K110-N130 WeakPolarHBondContact CA-OD1 3.44Å; K110-N130 HydrophobicContact CG-CB 4.28Å; K110-N130 WeakPolarHBondContact CG-OD1 3.4Å; I111-N130 PolarHBondContact N-OD1 3.28Å; I111-N130 PolarHBondContact O-ND2 3.43Å; V126-N130 WeakPolarHBondContact CG1-ND2 3.44Å; V126-N130 VanDerWaalsContact O-CB 3.27Å; V126-N130 WeakPolarHBondContact O-CB 3.44Å; V126-N130 PolarHBondContact O-N 2.89Å; V126-N130 PolarHBondContact O-ND2 3.12Å; E127-N130 PolarHBondContact O-N 3.21Å; L128-N130 VanDerWaalsContact C-N 3.35Å; L128-N130 PolarHBondContact O-N 2.93Å; N130-N133 WeakPolarHBondContact O-CB 3.33Å; N130-N133 PolarHBondContact O-N 3Å; N130-E134 PolarHBondContact O-N 3.38Å
131	R	93.3	Very high	90.8	Very high	86 Å²	86	40.9 Å²	40.9	33%	0.325	21%	0.206	S	C	.	.	H	α-helix	trans	-69.3	-40.3	-179.1	-172.8	57	176.5	178.2	-2.4	111.8	E62 I66 E127 L128 F129 N133 E134 L135	E62-R131 IonicContact OE1-CZ 2.8Å; E62-R131 IonicContact OE1-NE 2.71Å; E62-R131 PolarHBondContact OE1-NE 2.96Å; E62-R131 IonicContact OE1-NH2 3.88Å; E62-R131 PolarHBondContact OE1-NH2 3.1Å; E62-R131 IonicContact OE2-NH2 3.4Å; I66-R131 HydrophobicContact CD1-CB 4.39Å; I66-R131 HydrophobicContact CD1-CG 3.42Å; I66-R131 VanDerWaalsContact CD1-CG 3.42Å; I66-R131 HydrophobicContact CG2-CB 4.32Å; I66-R131 HydrophobicContact CG2-CG 4.38Å; E127-R131 VanDerWaalsContact O-CB 3.24Å; E127-R131 WeakPolarHBondContact O-CB 3.44Å; E127-R131 PolarHBondContact O-N 2.95Å; L128-R131 PolarHBondContact O-N 2.84Å; F129-R131 VanDerWaalsContact C-N 3.33Å; F129-R131 PolarHBondContact O-N 3.5Å; R131-N133 VanDerWaalsContact C-N 3.27Å; R131-N133 PolarHBondContact O-N 3.22Å; R131-E134 IonicContact CZ-OE2 3.39Å; R131-E134 IonicContact NH1-OE2 3.3Å; R131-E134 PolarHBondContact NH1-OE2 3.44Å; R131-E134 PolarHBondContact O-N 3.25Å; R131-L135 HydrophobicContact CG-CD1 4.09Å; R131-L135 HydrophobicContact CG-CG 4.4Å; R131-L135 WeakPolarHBondContact O-CB 3.48Å; R131-L135 VanDerWaalsContact O-CG 3.26Å; R131-L135 WeakPolarHBondContact O-CG 3.36Å; R131-L135 PolarHBondContact O-N 3.45Å
132	I	92.3	Very high	91.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-57.2	-44.5	172.3	-65.7	162.2	0	0	0	110.3	M63 I66 Y67 F70 L128 F129 L135 C136 L228	M63-I132 HydrophobicContact CE-CG2 4.33Å; I66-I132 HydrophobicContact CB-CG1 4.37Å; I66-I132 HydrophobicContact CG2-CD1 4.23Å; I66-I132 HydrophobicContact CG2-CG1 3.59Å; Y67-I132 HydrophobicContact CD2-CD1 4.32Å; Y67-I132 HydrophobicContact CD2-CG2 4.26Å; F70-I132 HydrophobicContact CB-CD1 3.57Å; F70-I132 HydrophobicContact CD1-CD1 3.83Å; F70-I132 HydrophobicContact CG-CD1 3.81Å; L128-I132 VanDerWaalsContact O-CG1 3.25Å; L128-I132 WeakPolarHBondContact O-CG1 3.49Å; L128-I132 PolarHBondContact O-N 3.43Å; F129-I132 PolarHBondContact O-N 3.46Å; I132-L135 PolarHBondContact O-N 2.92Å; I132-C136 WeakPolarHBondContact O-CB 3.25Å; I132-C136 PolarHBondContact O-N 2.91Å; I132-C136 PolarHBondContact O-SG 2.98Å; I132-L228 HydrophobicContact CG2-CD1 3.47Å; I132-L228 VanDerWaalsContact CG2-CD1 3.47Å
133	N	92.2	Very high	91.6	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65.7	-42	179.3	-81.3	-71.7	0	0	0	113.1	M109 F129 N130 R131 S137 F225	M109-N133 WeakPolarHBondContact CE-OD1 2.97Å; M109-N133 HydrophobicContact CG-CB 4.24Å; M109-N133 WeakPolarHBondContact CG-OD1 3.09Å; M109-N133 VanDerWaalsContact O-CB 3.22Å; M109-N133 WeakPolarHBondContact O-CB 3.41Å; F129-N133 VanDerWaalsContact CE1-ND2 3.33Å; F129-N133 WeakPolarHBondContact CE1-ND2 3.25Å; F129-N133 WeakPolarHBondContact CZ-ND2 3.49Å; F129-N133 PolarHBondContact O-N 2.78Å; F129-N133 PolarHBondContact O-ND2 2.96Å; N130-N133 WeakPolarHBondContact O-CB 3.33Å; N130-N133 PolarHBondContact O-N 3Å; R131-N133 VanDerWaalsContact C-N 3.27Å; R131-N133 PolarHBondContact O-N 3.22Å; N133-S137 PolarHBondContact O-N 2.7Å; N133-S137 VanDerWaalsContact O-N 3.12Å; N133-F225 WeakPolarHBondContact OD1-CE2 3.39Å
134	E	92.3	Very high	91.9	Very high	73 Å²	73	36.7 Å²	36.7	34%	0.341	19%	0.186	S	C	.	.	H	α-helix	trans	-62	-48	174.5	-178.9	172.7	-135.3	0	0	111.7	N130 R131 C136 S137 V138	N130-E134 PolarHBondContact O-N 3.38Å; R131-E134 IonicContact CZ-OE2 3.39Å; R131-E134 IonicContact NH1-OE2 3.3Å; R131-E134 PolarHBondContact NH1-OE2 3.44Å; R131-E134 PolarHBondContact O-N 3.25Å; E134-C136 PolarHBondContact O-N 3.08Å; E134-S137 WeakPolarHBondContact O-CB 3.28Å; E134-S137 PolarHBondContact O-N 3.33Å; E134-S137 VanDerWaalsContact O-N 3.11Å; E134-V138 HydrophobicContact CG-CG2 4.47Å; E134-V138 WeakPolarHBondContact O-CG2 3.31Å; E134-V138 PolarHBondContact O-N 2.83Å
135	L	93	Very high	92.1	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.026	19%	0.185	C	C	.	.	H	α-helix	trans	-63.5	-39.9	179.1	-68.4	175.4	0	0	0	111.8	V59 E62 M63 I66 R131 I132 S137 V138 L139	V59-L135 HydrophobicContact CG1-CD2 3.71Å; E62-L135 HydrophobicContact CG-CD1 4.14Å; M63-L135 HydrophobicContact CB-CB 4.1Å; M63-L135 HydrophobicContact CB-CD1 3.99Å; M63-L135 HydrophobicContact CG-CB 4.15Å; I66-L135 HydrophobicContact CD1-CD1 3.8Å; R131-L135 HydrophobicContact CG-CD1 4.09Å; R131-L135 HydrophobicContact CG-CG 4.4Å; R131-L135 WeakPolarHBondContact O-CB 3.48Å; R131-L135 VanDerWaalsContact O-CG 3.26Å; R131-L135 WeakPolarHBondContact O-CG 3.36Å; R131-L135 PolarHBondContact O-N 3.45Å; I132-L135 PolarHBondContact O-N 2.92Å; L135-S137 VanDerWaalsContact C-N 3.32Å; L135-S137 PolarHBondContact O-N 3.42Å; L135-V138 PolarHBondContact O-N 3.41Å; L135-L139 VanDerWaalsContact O-CB 3.28Å; L135-L139 WeakPolarHBondContact O-CB 3.06Å; L135-L139 WeakPolarHBondContact O-CD1 3.25Å; L135-L139 VanDerWaalsContact O-CG 3.24Å; L135-L139 WeakPolarHBondContact O-CG 3.46Å; L135-L139 PolarHBondContact O-N 3.24Å
136	C	91.9	Very high	92.3	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-53.6	-50.1	170.3	-73.8	0	0	0	0	111.2	M63 I132 E134 V138 L139 I140 I221 F225	M63-C136 WeakPolarHBondContact CE-SG 3.38Å; I132-C136 WeakPolarHBondContact O-CB 3.25Å; I132-C136 PolarHBondContact O-N 2.91Å; I132-C136 PolarHBondContact O-SG 2.98Å; E134-C136 PolarHBondContact O-N 3.08Å; C136-V138 PolarHBondContact O-N 2.92Å; C136-L139 PolarHBondContact O-N 2.9Å; C136-I140 WeakPolarHBondContact O-CB 3.47Å; C136-I140 WeakPolarHBondContact O-CD1 3.43Å; C136-I140 WeakPolarHBondContact O-CG1 3.21Å; C136-I140 PolarHBondContact O-N 3.43Å; C136-I221 HydrophobicContact CB-CG2 4.19Å; C136-F225 HydrophobicContact CB-CB 4.27Å; C136-F225 HydrophobicContact CB-CD2 3.84Å; C136-F225 HydrophobicContact CB-CG 4.38Å
137	S	91.1	Very high	92.4	Very high	31 Å²	31	38.1 Å²	38.1	22%	0.217	19%	0.188	C	C	.	.	H	α-helix	trans	-61.5	-45.8	-179.8	-169.9	0	0	0	0	112.2	Y107 N133 E134 L135 K141	Y107-S137 VanDerWaalsContact O-CB 3.25Å; Y107-S137 WeakPolarHBondContact O-CB 3.29Å; N133-S137 PolarHBondContact O-N 2.7Å; N133-S137 VanDerWaalsContact O-N 3.12Å; E134-S137 WeakPolarHBondContact O-CB 3.28Å; E134-S137 PolarHBondContact O-N 3.33Å; E134-S137 VanDerWaalsContact O-N 3.11Å; L135-S137 VanDerWaalsContact C-N 3.32Å; L135-S137 PolarHBondContact O-N 3.42Å; S137-K141 WeakPolarHBondContact O-CB 3.27Å; S137-K141 PolarHBondContact O-N 3.38Å; S137-K141 VanDerWaalsContact O-N 3.17Å
138	V	91.9	Very high	92.5	Very high	63 Å²	63	36.3 Å²	36.3	38%	0.382	18%	0.182	S	C	.	.	H	α-helix	trans	-64.8	-46.8	-179.1	170.1	0	0	0	0	110.4	V59 E134 L135 C136 K141 T142	V59-V138 HydrophobicContact CG1-CG1 4.49Å; E134-V138 HydrophobicContact CG-CG2 4.47Å; E134-V138 WeakPolarHBondContact O-CG2 3.31Å; E134-V138 PolarHBondContact O-N 2.83Å; L135-V138 PolarHBondContact O-N 3.41Å; C136-V138 PolarHBondContact O-N 2.92Å; V138-K141 PolarHBondContact O-N 2.9Å; V138-T142 VanDerWaalsContact O-CB 3.25Å; V138-T142 WeakPolarHBondContact O-CB 3.26Å; V138-T142 PolarHBondContact O-N 3.27Å; V138-T142 PolarHBondContact O-OG1 3.21Å
139	L	93	Very high	92.6	Very high	1 Å²	1	41 Å²	41	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-66.6	-42.6	-178.3	-72.4	166.1	0	0	0	112.1	L56 V59 R60 M63 L135 C136 T142 S143 I221	L56-L139 HydrophobicContact CD1-CD2 3.63Å; L56-L139 HydrophobicContact CG-CD2 4.31Å; V59-L139 HydrophobicContact CB-CD2 3.74Å; V59-L139 HydrophobicContact CB-CG 4.43Å; V59-L139 HydrophobicContact CG1-CD1 4.22Å; V59-L139 HydrophobicContact CG1-CD2 3.55Å; V59-L139 HydrophobicContact CG1-CG 3.69Å; R60-L139 HydrophobicContact CB-CD2 4.35Å; M63-L139 HydrophobicContact CB-CD1 3.99Å; M63-L139 HydrophobicContact CG-CD1 4.33Å; M63-L139 HydrophobicContact SD-CD1 3.49Å; M63-L139 WeakPolarHBondContact SD-CD1 3.45Å; L135-L139 VanDerWaalsContact O-CB 3.28Å; L135-L139 WeakPolarHBondContact O-CB 3.06Å; L135-L139 WeakPolarHBondContact O-CD1 3.25Å; L135-L139 VanDerWaalsContact O-CG 3.24Å; L135-L139 WeakPolarHBondContact O-CG 3.46Å; L135-L139 PolarHBondContact O-N 3.24Å; C136-L139 PolarHBondContact O-N 2.9Å; L139-T142 PolarHBondContact O-N 3.43Å; L139-S143 WeakPolarHBondContact O-CB 3.4Å; L139-S143 PolarHBondContact O-N 2.76Å; L139-S143 PolarHBondContact O-OG 3.23Å; L139-I221 HydrophobicContact CB-CD1 3.47Å; L139-I221 VanDerWaalsContact CB-CD1 3.47Å; L139-I221 HydrophobicContact CB-CG1 4.33Å; L139-I221 HydrophobicContact CB-CG2 4.25Å; L139-I221 HydrophobicContact CD1-CD1 3.92Å; L139-I221 HydrophobicContact CD1-CG1 4.22Å; L139-I221 HydrophobicContact CD2-CD1 4.46Å; L139-I221 HydrophobicContact CG-CD1 4.16Å
140	I	92	Very high	92.8	Very high	2 Å²	2	41 Å²	41	1%	0.01	20%	0.199	C	C	.	.	H	α-helix	trans	-58	-53	175.6	-70.4	167	0	0	0	109.7	Y107 C136 T142 S143 D144 I221 K222	Y107-I140 HydrophobicContact CD1-CD1 3.78Å; Y107-I140 HydrophobicContact CD2-CG2 4.16Å; Y107-I140 HydrophobicContact CE1-CD1 4.29Å; Y107-I140 HydrophobicContact CE2-CG2 4.14Å; Y107-I140 HydrophobicContact CG-CD1 3.99Å; C136-I140 WeakPolarHBondContact O-CB 3.47Å; C136-I140 WeakPolarHBondContact O-CD1 3.43Å; C136-I140 WeakPolarHBondContact O-CG1 3.21Å; C136-I140 PolarHBondContact O-N 3.43Å; I140-T142 PolarHBondContact O-N 3.39Å; I140-S143 PolarHBondContact O-N 3.25Å; I140-S143 PolarHBondContact O-OG 2.8Å; I140-D144 PolarHBondContact O-N 3.39Å; I140-I221 HydrophobicContact CD1-CG2 4.11Å; I140-I221 HydrophobicContact CG1-CB 4.38Å; I140-I221 HydrophobicContact CG1-CG2 3.72Å; I140-K222 HydrophobicContact CD1-CG 3.92Å; I140-K222 HydrophobicContact CG1-CG 4.04Å
141	K	91.1	Very high	92.9	Very high	143 Å²	143	43.9 Å²	43.9	62%	0.622	21%	0.214	S	C	*	.	H	α-helix	trans	-61.4	-43.7	-179.4	-174.9	179.7	178.4	-176.8	0	112.5	S137 V138 N145	S137-K141 WeakPolarHBondContact O-CB 3.27Å; S137-K141 PolarHBondContact O-N 3.38Å; S137-K141 VanDerWaalsContact O-N 3.17Å; V138-K141 PolarHBondContact O-N 2.9Å; K141-N145 PolarHBondContact O-N 3.48Å; K141-N145 VanDerWaalsContact O-N 3.12Å
142	T	91.9	Very high	92.9	Very high	30 Å²	30	42 Å²	42	18%	0.184	22%	0.215	C	C	.	.	H	α-helix	trans	-67	-41.3	-179.4	-54.6	0	0	0	0	110.8	L56 V138 L139 I140 N145 L146	L56-T142 HydrophobicContact CD1-CG2 3.96Å; V138-T142 VanDerWaalsContact O-CB 3.25Å; V138-T142 WeakPolarHBondContact O-CB 3.26Å; V138-T142 PolarHBondContact O-N 3.27Å; V138-T142 PolarHBondContact O-OG1 3.21Å; L139-T142 PolarHBondContact O-N 3.43Å; I140-T142 PolarHBondContact O-N 3.39Å; T142-N145 PolarHBondContact O-N 3.47Å; T142-L146 WeakPolarHBondContact O-CB 3.44Å; T142-L146 PolarHBondContact O-N 3.03Å
143	S	93	Very high	93.1	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-65.4	-43.2	177.5	67.7	0	0	0	0	112.7	L139 I140 N145 L146 Q147 V214 N218	L139-S143 WeakPolarHBondContact O-CB 3.4Å; L139-S143 PolarHBondContact O-N 2.76Å; L139-S143 PolarHBondContact O-OG 3.23Å; I140-S143 PolarHBondContact O-N 3.25Å; I140-S143 PolarHBondContact O-OG 2.8Å; S143-N145 PolarHBondContact O-N 3.03Å; S143-L146 PolarHBondContact O-N 2.98Å; S143-Q147 WeakPolarHBondContact O-CB 3.29Å; S143-Q147 PolarHBondContact O-N 2.77Å; S143-V214 VanDerWaalsContact O-CG1 3.3Å; S143-V214 WeakPolarHBondContact O-CG1 3.49Å; S143-N218 WeakPolarHBondContact OG-CB 3.44Å; S143-N218 PolarHBondContact OG-ND2 3.38Å; S143-N218 PolarHBondContact OG-OD1 2.88Å
144	D	91	Very high	93.1	Very high	53 Å²	53	43.7 Å²	43.7	28%	0.283	23%	0.225	S	C	.	.	H	α-helix	trans	-61.2	-43.2	175.9	-70.6	-22	0	0	0	110.8	I140 N148 N218 K222	I140-D144 PolarHBondContact O-N 3.39Å; D144-N148 PolarHBondContact O-N 3.14Å; D144-N148 PolarHBondContact O-ND2 3.33Å; D144-N218 PolarHBondContact OD1-ND2 2.94Å; D144-K222 IonicContact OD1-NZ 3.24Å; D144-K222 PolarHBondContact OD1-NZ 2.96Å
145	N	92.4	Very high	93.2	Very high	73 Å²	73	46.4 Å²	46.4	39%	0.39	24%	0.235	S	C	.	.	H	α-helix	trans	-65.8	-43.1	176.8	-74.6	-13.4	0	0	0	112.7	K141 T142 S143 N148 Y149	K141-N145 PolarHBondContact O-N 3.48Å; K141-N145 VanDerWaalsContact O-N 3.12Å; T142-N145 PolarHBondContact O-N 3.47Å; S143-N145 PolarHBondContact O-N 3.03Å; N145-N148 WeakPolarHBondContact O-CB 3.41Å; N145-N148 PolarHBondContact O-N 2.9Å; N145-N148 VanDerWaalsContact O-N 3.16Å; N145-Y149 PolarHBondContact O-N 3.15Å
146	L	95.1	Very high	93.2	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-68	-36.2	-177.4	-177.3	50.1	0	0	0	112.3	I49 N52 I53 L56 T142 S143 N148 Y149 I150 V214	I49-L146 HydrophobicContact CG2-CD1 4.28Å; N52-L146 HydrophobicContact CB-CD1 3.69Å; N52-L146 HydrophobicContact CB-CD2 4.19Å; N52-L146 HydrophobicContact CB-CG 4.47Å; I53-L146 HydrophobicContact CD1-CD1 4.04Å; I53-L146 HydrophobicContact CD1-CD2 3.48Å; I53-L146 VanDerWaalsContact CD1-CD2 3.48Å; I53-L146 HydrophobicContact CD1-CG 3.87Å; I53-L146 HydrophobicContact CG1-CD1 4.4Å; I53-L146 HydrophobicContact CG1-CD2 4.32Å; L56-L146 HydrophobicContact CB-CD2 4.24Å; L56-L146 HydrophobicContact CD2-CD2 3.83Å; T142-L146 WeakPolarHBondContact O-CB 3.44Å; T142-L146 PolarHBondContact O-N 3.03Å; S143-L146 PolarHBondContact O-N 2.98Å; L146-N148 VanDerWaalsContact C-N 3.29Å; L146-N148 PolarHBondContact O-N 3.44Å; L146-Y149 PolarHBondContact O-N 2.95Å; L146-I150 HydrophobicContact CD1-CD1 4.26Å; L146-I150 HydrophobicContact CD1-CG1 4.36Å; L146-I150 HydrophobicContact CG-CD1 4.15Å; L146-I150 VanDerWaalsContact O-CG1 3.3Å; L146-I150 WeakPolarHBondContact O-CG1 3.4Å; L146-I150 PolarHBondContact O-N 3.47Å; L146-V214 HydrophobicContact CD2-CG2 3.99Å; L146-V214 HydrophobicContact CG-CG2 4.13Å
147	Q	94.2	Very high	93.2	Very high	52 Å²	52	47.6 Å²	47.6	24%	0.243	24%	0.241	C	C	.	.	H	α-helix	trans	-56.2	-44.9	169.7	176.1	163.2	32	0	0	111.5	S143 I150 L151 L211 V214	S143-Q147 WeakPolarHBondContact O-CB 3.29Å; S143-Q147 PolarHBondContact O-N 2.77Å; Q147-I150 PolarHBondContact O-N 3.4Å; Q147-L151 HydrophobicContact CG-CD1 4.13Å; Q147-L151 WeakPolarHBondContact O-CB 3.35Å; Q147-L151 VanDerWaalsContact O-CG 3.29Å; Q147-L151 WeakPolarHBondContact O-CG 3.39Å; Q147-L151 PolarHBondContact O-N 3.18Å; Q147-L211 HydrophobicContact CB-CD1 4.43Å; Q147-L211 HydrophobicContact CG-CD1 3.65Å; Q147-V214 HydrophobicContact CB-CG1 4.35Å
148	N	93.5	Very high	93.1	Very high	99 Å²	99	50.3 Å²	50.3	53%	0.529	25%	0.252	S	S	.	.	H	α-helix	trans	-64.8	-40.5	177.2	-65.5	-34	0	0	0	112.1	D144 N145 L146 L151 S152	D144-N148 PolarHBondContact O-N 3.14Å; D144-N148 PolarHBondContact O-ND2 3.33Å; N145-N148 WeakPolarHBondContact O-CB 3.41Å; N145-N148 PolarHBondContact O-N 2.9Å; N145-N148 VanDerWaalsContact O-N 3.16Å; L146-N148 VanDerWaalsContact C-N 3.29Å; L146-N148 PolarHBondContact O-N 3.44Å; N148-L151 PolarHBondContact O-N 3.09Å; N148-S152 WeakPolarHBondContact O-CB 3.19Å; N148-S152 PolarHBondContact O-N 3.49Å
149	Y	94.9	Very high	92.9	Very high	124 Å²	124	52.5 Å²	52.5	49%	0.486	26%	0.258	S	S	.	.	H	α-helix	trans	-63.8	-44.2	176.1	-65.4	-31.5	0	0	0	112.5	N145 L146 L151 S152 Y153	N145-Y149 PolarHBondContact O-N 3.15Å; L146-Y149 PolarHBondContact O-N 2.95Å; Y149-L151 PolarHBondContact O-N 3.24Å; Y149-S152 PolarHBondContact O-N 3.29Å; Y149-Y153 WeakPolarHBondContact O-CB 3.15Å; Y149-Y153 PolarHBondContact O-N 3.39Å
150	I	96.1	Very high	92.6	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.8	-42.7	177.6	-65.5	162	0	0	0	111	I49 I53 L146 Q147 Y153 T154 S207 L210 L211 V214	I49-I150 HydrophobicContact CD1-CG1 4.39Å; I49-I150 HydrophobicContact CG1-CG1 4.49Å; I49-I150 HydrophobicContact CG2-CG1 3.89Å; I53-I150 HydrophobicContact CD1-CD1 4.18Å; L146-I150 HydrophobicContact CD1-CD1 4.26Å; L146-I150 HydrophobicContact CD1-CG1 4.36Å; L146-I150 HydrophobicContact CG-CD1 4.15Å; L146-I150 VanDerWaalsContact O-CG1 3.3Å; L146-I150 WeakPolarHBondContact O-CG1 3.4Å; L146-I150 PolarHBondContact O-N 3.47Å; Q147-I150 PolarHBondContact O-N 3.4Å; I150-Y153 PolarHBondContact O-N 3.01Å; I150-T154 WeakPolarHBondContact O-CB 3.32Å; I150-T154 PolarHBondContact O-N 3.31Å; I150-T154 PolarHBondContact O-OG1 2.83Å; I150-S207 WeakPolarHBondContact CG2-O 3.21Å; I150-L210 HydrophobicContact CD1-CB 3.94Å; I150-L211 HydrophobicContact CG2-CB 4.24Å; I150-V214 HydrophobicContact CD1-CG2 4.11Å
151	L	94.4	Very high	92.3	Very high	84 Å²	84	60.4 Å²	60.4	44%	0.44	29%	0.291	S	S	.	.	H	α-helix	trans	-64.4	-42.3	176.9	-71.6	172	0	0	0	111.9	Q147 N148 Y149 T154 K155 L211	Q147-L151 HydrophobicContact CG-CD1 4.13Å; Q147-L151 WeakPolarHBondContact O-CB 3.35Å; Q147-L151 VanDerWaalsContact O-CG 3.29Å; Q147-L151 WeakPolarHBondContact O-CG 3.39Å; Q147-L151 PolarHBondContact O-N 3.18Å; N148-L151 PolarHBondContact O-N 3.09Å; Y149-L151 PolarHBondContact O-N 3.24Å; L151-T154 PolarHBondContact O-N 2.93Å; L151-K155 WeakPolarHBondContact O-CB 3.02Å; L151-K155 PolarHBondContact O-N 3.16Å; L151-L211 HydrophobicContact CD2-CD1 4.31Å; L151-L211 HydrophobicContact CD2-CD2 3.88Å; L151-L211 HydrophobicContact CG-CD1 4.22Å
152	S	94.1	Very high	91.8	Very high	48 Å²	48	57 Å²	57	34%	0.336	29%	0.285	S	S	.	.	H	α-helix	trans	-61.5	-48.9	175.6	-171.8	0	0	0	0	111.5	N148 Y149 T154 K155 H156	N148-S152 WeakPolarHBondContact O-CB 3.19Å; N148-S152 PolarHBondContact O-N 3.49Å; Y149-S152 PolarHBondContact O-N 3.29Å; S152-T154 PolarHBondContact O-N 3.06Å; S152-K155 WeakPolarHBondContact O-CB 3.41Å; S152-K155 PolarHBondContact O-N 3.46Å; S152-H156 PolarHBondContact O-N 3.41Å; S152-H156 PolarHBondContact OG-CE1 3.42Å
153	Y	96.4	Very high	91.1	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-59.2	-45.8	177	171.6	-99	0	0	0	111.8	L34 L42 E45 C46 I49 Y149 I150 K155 H156 L157 N203	L34-Y153 HydrophobicContact CD1-CD1 3.71Å; L34-Y153 HydrophobicContact CD1-CE1 3.59Å; L34-Y153 HydrophobicContact CD1-CG 4.25Å; L34-Y153 HydrophobicContact CD2-CD1 4.47Å; L34-Y153 HydrophobicContact CD2-CE1 3.88Å; L34-Y153 HydrophobicContact CG-CE1 4.29Å; L42-Y153 HydrophobicContact CB-CE2 4.21Å; L42-Y153 HydrophobicContact CD2-CD2 4.15Å; L42-Y153 HydrophobicContact CD2-CE2 4.1Å; E45-Y153 HydrophobicContact CB-CD2 3.92Å; E45-Y153 WeakPolarHBondContact OE2-CA 3.42Å; C46-Y153 HydrophobicContact CB-CE2 4.21Å; I49-Y153 VanDerWaalsContact CD1-CB 3.42Å; I49-Y153 HydrophobicContact CD1-CD1 4.32Å; I49-Y153 HydrophobicContact CD1-CD2 4.41Å; I49-Y153 HydrophobicContact CD1-CG 3.81Å; Y149-Y153 WeakPolarHBondContact O-CB 3.15Å; Y149-Y153 PolarHBondContact O-N 3.39Å; I150-Y153 PolarHBondContact O-N 3.01Å; Y153-K155 VanDerWaalsContact C-N 3.28Å; Y153-K155 PolarHBondContact O-N 3.32Å; Y153-H156 PolarHBondContact O-N 2.97Å; Y153-L157 HydrophobicContact CE1-CD2 4.04Å; Y153-L157 WeakPolarHBondContact O-CB 3.31Å; Y153-L157 PolarHBondContact O-N 2.84Å; Y153-N203 HydrophobicContact CE1-CB 4.42Å; Y153-N203 PolarHBondContact OH-ND2 2.91Å
154	T	93.1	Very high	90.4	Very high	35 Å²	35	60.5 Å²	60.5	22%	0.215	30%	0.302	C	S	.	.	H	α-helix	trans	-60.6	-40.4	178.4	-54.2	0	0	0	0	111.1	I150 L151 S152 L158 I204 S207	I150-T154 WeakPolarHBondContact O-CB 3.32Å; I150-T154 PolarHBondContact O-N 3.31Å; I150-T154 PolarHBondContact O-OG1 2.83Å; L151-T154 PolarHBondContact O-N 2.93Å; S152-T154 PolarHBondContact O-N 3.06Å; T154-L158 VanDerWaalsContact O-CG 3.32Å; T154-L158 WeakPolarHBondContact O-CG 3.48Å; T154-L158 PolarHBondContact O-N 3.4Å; T154-I204 HydrophobicContact CG2-CD1 4.35Å; T154-S207 VanDerWaalsContact OG1-CB 3.31Å; T154-S207 WeakPolarHBondContact OG1-CB 3.27Å
155	K	93.2	Very high	89.5	Confident	130 Å²	130	60.3 Å²	60.3	57%	0.565	30%	0.301	S	S	*	.	H	α-helix	trans	-63.3	-50.1	175.3	-176	-170	171.7	-165.3	0	111.1	L151 S152 Y153 L157 L158 E159	L151-K155 WeakPolarHBondContact O-CB 3.02Å; L151-K155 PolarHBondContact O-N 3.16Å; S152-K155 WeakPolarHBondContact O-CB 3.41Å; S152-K155 PolarHBondContact O-N 3.46Å; Y153-K155 VanDerWaalsContact C-N 3.28Å; Y153-K155 PolarHBondContact O-N 3.32Å; K155-L157 VanDerWaalsContact C-N 3.33Å; K155-L157 PolarHBondContact O-N 2.89Å; K155-L158 WeakPolarHBondContact O-CB 3.26Å; K155-L158 PolarHBondContact O-N 3.48Å; K155-E159 WeakPolarHBondContact CE-OE1 3.34Å; K155-E159 PolarHBondContact O-N 3.42Å
156	H	92.8	Very high	88	Confident	29 Å²	29	60.1 Å²	60.1	13%	0.134	31%	0.306	C	S	.	.	H	α-helix	trans	-60.5	-43.6	178.1	-64.3	155.5	0	0	0	111.2	L42 E45 S152 Y153 L158 E159 Y160	L42-H156 HydrophobicContact CD2-CB 3.53Å; E45-H156 VanDerWaalsContact CD-ND1 3.29Å; E45-H156 IonicContact OE1-CE1 2.87Å; E45-H156 PolarHBondContact OE1-CE1 3.13Å; E45-H156 IonicContact OE1-ND1 3.58Å; E45-H156 PolarHBondContact OE1-ND1 3.42Å; E45-H156 IonicContact OE2-CE1 2.91Å; E45-H156 IonicContact OE2-CG 3.77Å; E45-H156 IonicContact OE2-ND1 3.18Å; E45-H156 PolarHBondContact OE2-ND1 2.94Å; S152-H156 PolarHBondContact O-N 3.41Å; S152-H156 PolarHBondContact OG-CE1 3.42Å; Y153-H156 PolarHBondContact O-N 2.97Å; H156-L158 PolarHBondContact O-N 3.34Å; H156-E159 IonicContact CD2-OE2 2.98Å; H156-E159 WeakPolarHBondContact O-CA 3.03Å; H156-E159 WeakPolarHBondContact O-CB 3.41Å; H156-E159 PolarHBondContact O-N 3.43Å; H156-Y160 WeakPolarHBondContact O-CD2 3.35Å; H156-Y160 PolarHBondContact O-N 3.17Å
157	L	91.4	Very high	85.9	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-56.4	-37.7	177.3	-172.9	63.4	0	0	0	112.2	V37 L42 Y153 K155 Y160 K161 F164 Y200 N203 I204	V37-L157 HydrophobicContact CG1-CD1 4.3Å; L42-L157 HydrophobicContact CD1-CD1 4.02Å; Y153-L157 HydrophobicContact CE1-CD2 4.04Å; Y153-L157 WeakPolarHBondContact O-CB 3.31Å; Y153-L157 PolarHBondContact O-N 2.84Å; K155-L157 VanDerWaalsContact C-N 3.33Å; K155-L157 PolarHBondContact O-N 2.89Å; L157-Y160 PolarHBondContact O-N 3.37Å; L157-K161 PolarHBondContact O-N 3Å; L157-F164 HydrophobicContact CD1-CE2 4Å; L157-F164 HydrophobicContact CD1-CZ 4.13Å; L157-Y200 HydrophobicContact CD1-CD2 3.85Å; L157-Y200 HydrophobicContact CD1-CE2 4.31Å; L157-Y200 HydrophobicContact CD2-CD2 4.39Å; L157-Y200 HydrophobicContact CG-CD2 3.85Å; L157-Y200 HydrophobicContact CG-CE2 3.87Å; L157-Y200 WeakPolarHBondContact O-CE2 3.3Å; L157-N203 HydrophobicContact CD2-CB 3.71Å; L157-I204 HydrophobicContact CD2-CD1 3.68Å; L157-I204 HydrophobicContact CD2-CG1 3.84Å; L157-I204 HydrophobicContact CG-CD1 4.19Å
158	L	89.4	Confident	83.8	Confident	89 Å²	89	60.2 Å²	60.2	47%	0.466	32%	0.315	S	S	.	.	H	α-helix	trans	-69.6	-29.7	174.6	-68.7	170	0	0	0	113.4	T154 K155 H156 Y160 K161 Y200 I204	T154-L158 VanDerWaalsContact O-CG 3.32Å; T154-L158 WeakPolarHBondContact O-CG 3.48Å; T154-L158 PolarHBondContact O-N 3.4Å; K155-L158 WeakPolarHBondContact O-CB 3.26Å; K155-L158 PolarHBondContact O-N 3.48Å; H156-L158 PolarHBondContact O-N 3.34Å; L158-Y160 VanDerWaalsContact C-N 3.32Å; L158-K161 WeakPolarHBondContact O-CB 3.42Å; L158-K161 PolarHBondContact O-N 2.74Å; L158-Y200 WeakPolarHBondContact CD2-OH 3.38Å; L158-I204 HydrophobicContact CD2-CD1 4Å; L158-I204 HydrophobicContact CG-CD1 4.3Å
159	E	89.3	Confident	81.7	Confident	108 Å²	108	62.2 Å²	62.2	51%	0.505	32%	0.322	S	S	.	.	H	α-helix	trans	-66.5	-35.7	175	-66.8	168	-177.8	0	0	111.2	K155 H156 K161	K155-E159 WeakPolarHBondContact CE-OE1 3.34Å; K155-E159 PolarHBondContact O-N 3.42Å; H156-E159 IonicContact CD2-OE2 2.98Å; H156-E159 WeakPolarHBondContact O-CA 3.03Å; H156-E159 WeakPolarHBondContact O-CB 3.41Å; H156-E159 PolarHBondContact O-N 3.43Å; E159-K161 VanDerWaalsContact C-N 3.28Å; E159-K161 PolarHBondContact O-N 2.98Å
160	Y	86.4	Confident	79.4	Confident	68 Å²	68	61.9 Å²	61.9	27%	0.267	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	9	175.5	-66.6	-86.2	0	0	0	113.6	I39 L42 H156 L157 L158 S162 D163 F164	I39-Y160 HydrophobicContact CD1-CD1 3.8Å; I39-Y160 HydrophobicContact CD1-CG 3.92Å; I39-Y160 HydrophobicContact CG2-CD1 4.36Å; I39-Y160 HydrophobicContact CG2-CE1 4.08Å; L42-Y160 HydrophobicContact CD1-CD2 3.7Å; L42-Y160 HydrophobicContact CD1-CE2 4.31Å; L42-Y160 HydrophobicContact CD1-CG 4.15Å; L42-Y160 HydrophobicContact CD2-CD2 4.44Å; L42-Y160 HydrophobicContact CG-CD2 4.17Å; L42-Y160 HydrophobicContact CG-CE2 4.31Å; H156-Y160 WeakPolarHBondContact O-CD2 3.35Å; H156-Y160 PolarHBondContact O-N 3.17Å; L157-Y160 PolarHBondContact O-N 3.37Å; L158-Y160 VanDerWaalsContact C-N 3.32Å; Y160-S162 PolarHBondContact O-N 3.23Å; Y160-S162 VanDerWaalsContact O-N 3.1Å; Y160-D163 WeakPolarHBondContact CD1-OD2 3.3Å; Y160-D163 WeakPolarHBondContact O-CB 3.39Å; Y160-D163 PolarHBondContact O-N 3.05Å; Y160-F164 WeakPolarHBondContact O-CD2 3.3Å; Y160-F164 WeakPolarHBondContact O-CE2 3.45Å
161	K	84.7	Confident	76.9	Confident	102 Å²	102	71.3 Å²	71.3	44%	0.443	36%	0.359	S	S	.	.	H	α-helix	trans	-54.1	-35.5	-175.4	177.6	178.6	176.7	-175.6	0	113.5	L157 L158 E159 D163 F164 L165 Y200	L157-K161 PolarHBondContact O-N 3Å; L158-K161 WeakPolarHBondContact O-CB 3.42Å; L158-K161 PolarHBondContact O-N 2.74Å; E159-K161 VanDerWaalsContact C-N 3.28Å; E159-K161 PolarHBondContact O-N 2.98Å; K161-D163 VanDerWaalsContact C-N 3.26Å; K161-D163 PolarHBondContact O-N 3.2Å; K161-F164 PolarHBondContact O-N 3.09Å; K161-L165 HydrophobicContact CD-CD1 3.94Å; K161-L165 HydrophobicContact CG-CD1 3.48Å; K161-L165 VanDerWaalsContact CG-CD1 3.48Å; K161-L165 HydrophobicContact CG-CG 4.01Å; K161-L165 WeakPolarHBondContact O-CB 3.42Å; K161-L165 WeakPolarHBondContact O-CG 3.28Å; K161-L165 PolarHBondContact O-N 3.48Å; K161-Y200 HydrophobicContact CB-CE2 4.31Å; K161-Y200 HydrophobicContact CG-CE2 4.5Å
162	S	80.5	Confident	74.5	Confident	71 Å²	71	75.8 Å²	75.8	50%	0.497	38%	0.375	S	S	.	.	H	α-helix	trans	-60.5	-35.1	176.7	47.8	0	0	0	0	112.9	Y160 F164 L165 S166	Y160-S162 PolarHBondContact O-N 3.23Å; Y160-S162 VanDerWaalsContact O-N 3.1Å; S162-F164 PolarHBondContact O-N 2.87Å; S162-L165 PolarHBondContact O-N 2.91Å; S162-S166 WeakPolarHBondContact O-CB 3.42Å; S162-S166 PolarHBondContact O-N 3.38Å; S162-S166 PolarHBondContact O-OG 3.01Å
163	D	78.5	Confident	71.9	Confident	94 Å²	94	78.5 Å²	78.5	50%	0.503	38%	0.384	S	S	.	.	H	α-helix	trans	-72.5	-23.7	-174.7	-57.9	-4.4	0	0	0	110.9	Y160 K161	Y160-D163 WeakPolarHBondContact CD1-OD2 3.3Å; Y160-D163 WeakPolarHBondContact O-CB 3.39Å; Y160-D163 PolarHBondContact O-N 3.05Å; K161-D163 VanDerWaalsContact C-N 3.26Å; K161-D163 PolarHBondContact O-N 3.2Å
164	F	78	Confident	69.1	Low	9 Å²	9	88 Å²	88	4%	0.039	42%	0.42	C	S	.	.	H	α-helix	trans	-91.6	-39.4	173.2	-55	-79	0	0	0	112.8	V37 I39 L157 Y160 K161 S162 K196 I197 Y200	V37-F164 HydrophobicContact CB-CE1 3.91Å; V37-F164 HydrophobicContact CB-CZ 3.83Å; V37-F164 HydrophobicContact CG1-CE1 4.24Å; V37-F164 HydrophobicContact CG1-CZ 4.18Å; V37-F164 HydrophobicContact CG2-CZ 4.23Å; I39-F164 HydrophobicContact CD1-CE2 4.11Å; I39-F164 HydrophobicContact CD1-CZ 3.72Å; L157-F164 HydrophobicContact CD1-CE2 4Å; L157-F164 HydrophobicContact CD1-CZ 4.13Å; Y160-F164 WeakPolarHBondContact O-CD2 3.3Å; Y160-F164 WeakPolarHBondContact O-CE2 3.45Å; K161-F164 PolarHBondContact O-N 3.09Å; S162-F164 PolarHBondContact O-N 2.87Å; F164-K196 HydrophobicContact CD1-CB 4.21Å; F164-K196 WeakPolarHBondContact CD1-O 3.45Å; F164-I197 WeakPolarHBondContact O-CG1 3.47Å; F164-Y200 HydrophobicContact CB-CD2 4.24Å; F164-Y200 HydrophobicContact CB-CG 4.02Å; F164-Y200 HydrophobicContact CD1-CD2 4.49Å; F164-Y200 HydrophobicContact CD1-CG 4.45Å; F164-Y200 AromaticContact CD2-CD2 3.38Å; F164-Y200 HydrophobicContact CD2-CD2 3.38Å; F164-Y200 HydrophobicContact CD2-CE2 4.07Å; F164-Y200 AromaticContact CD2-CG 3.99Å; F164-Y200 HydrophobicContact CD2-CG 3.99Å; F164-Y200 AromaticContact CE2-CD2 3.79Å; F164-Y200 HydrophobicContact CE2-CD2 3.79Å; F164-Y200 AromaticContact CG-CD2 3.79Å; F164-Y200 HydrophobicContact CG-CD2 3.79Å; F164-Y200 AromaticContact CG-CG 3.9Å; F164-Y200 HydrophobicContact CG-CG 3.9Å; F164-Y200 HydrophobicContact CZ-CD2 4.5Å
165	L	70.6	Confident	66.6	Low	49 Å²	49	92.9 Å²	92.9	26%	0.257	45%	0.453	S	S	.	.	H	α-helix	trans	-100.3	-12.4	-167.8	-62.1	-172.7	0	0	0	115.6	K161 S162 A167 A168 I197	K161-L165 HydrophobicContact CD-CD1 3.94Å; K161-L165 HydrophobicContact CG-CD1 3.48Å; K161-L165 VanDerWaalsContact CG-CD1 3.48Å; K161-L165 HydrophobicContact CG-CG 4.01Å; K161-L165 WeakPolarHBondContact O-CB 3.42Å; K161-L165 WeakPolarHBondContact O-CG 3.28Å; K161-L165 PolarHBondContact O-N 3.48Å; S162-L165 PolarHBondContact O-N 2.91Å; L165-A167 PolarHBondContact O-N 3.01Å; L165-A168 PolarHBondContact O-N 2.63Å; L165-A168 VanDerWaalsContact O-N 3.07Å; L165-I197 HydrophobicContact CD2-CG1 4.27Å; L165-I197 HydrophobicContact CD2-CG2 4.32Å
166	S	61.4	Low	64.4	Low	70 Å²	70	92.1 Å²	92.1	49%	0.49	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-24.6	179.2	51.4	0	0	0	0	112.5	S162	S162-S166 WeakPolarHBondContact O-CB 3.42Å; S162-S166 PolarHBondContact O-N 3.38Å; S162-S166 PolarHBondContact O-OG 3.01Å
167	A	50.5	Low	62.1	Low	12 Å²	12	99 Å²	99	10%	0.099	49%	0.491	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-19	178.2	0	0	0	0	0	116.4	L165 Q169 F170 Q193	L165-A167 PolarHBondContact O-N 3.01Å; A167-Q169 PolarHBondContact O-N 3.12Å; A167-Q169 VanDerWaalsContact O-N 3.14Å; A167-F170 HydrophobicContact CB-CD2 4.28Å; A167-F170 WeakPolarHBondContact O-CB 3.31Å; A167-F170 PolarHBondContact O-N 2.64Å; A167-Q193 HydrophobicContact CB-CB 3.94Å; A167-Q193 HydrophobicContact CB-CG 3.66Å; A167-Q193 VanDerWaalsContact CB-OE1 3.29Å
168	A	50	Low	60	Low	43 Å²	43	105 Å²	105	36%	0.355	52%	0.523	S	S	.	.	G	3₁₀ helix	trans	-62.1	-23.8	172.1	0	0	0	0	0	111.2	L165 F170 R171 I197	L165-A168 PolarHBondContact O-N 2.63Å; L165-A168 VanDerWaalsContact O-N 3.07Å; A168-F170 VanDerWaalsContact C-N 3.26Å; A168-F170 PolarHBondContact O-N 2.95Å; A168-R171 PolarHBondContact O-N 2.92Å; A168-I197 HydrophobicContact CB-CD1 4.07Å
169	Q	49.2	Very low	57.9	Low	141 Å²	141	109.8 Å²	109.8	66%	0.659	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-64.8	-25.7	170.9	-63.8	-176.5	-17.3	0	0	112.7	A167 R171 F172 I173	A167-Q169 PolarHBondContact O-N 3.12Å; A167-Q169 VanDerWaalsContact O-N 3.14Å; Q169-R171 VanDerWaalsContact C-N 3.29Å; Q169-R171 PolarHBondContact O-N 3.3Å; Q169-F172 CarbonylContact O-C 3.54Å; Q169-F172 PolarHBondContact O-N 3.22Å; Q169-I173 WeakPolarHBondContact O-CG1 3.44Å; Q169-I173 PolarHBondContact O-N 2.93Å
170	F	46.8	Very low	56	Low	118 Å²	118	110.6 Å²	110.6	52%	0.518	55%	0.549	S	S	.	.	G	3₁₀ helix	trans	-62.6	-31.9	175.7	-86	-79.8	0	0	0	113	A167 A168 F172 I173	A167-F170 HydrophobicContact CB-CD2 4.28Å; A167-F170 WeakPolarHBondContact O-CB 3.31Å; A167-F170 PolarHBondContact O-N 2.64Å; A168-F170 VanDerWaalsContact C-N 3.26Å; A168-F170 PolarHBondContact O-N 2.95Å; F170-F172 PolarHBondContact O-N 3.39Å; F170-I173 HydrophobicContact CD1-CD1 4.09Å; F170-I173 HydrophobicContact CE1-CD1 4.32Å; F170-I173 PolarHBondContact O-N 2.81Å
171	R	44.4	Very low	54.2	Low	198 Å²	198	112.6 Å²	112.6	75%	0.747	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-69.9	-18.7	174	-77.7	-168.4	-178.8	-167.8	0.6	113.5	A168 Q169	A168-R171 PolarHBondContact O-N 2.92Å; Q169-R171 VanDerWaalsContact C-N 3.29Å; Q169-R171 PolarHBondContact O-N 3.3Å
172	F	43.5	Very low	52.7	Low	178 Å²	178	114.3 Å²	114.3	78%	0.781	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-104.4	-4.2	178.2	-67.2	-73.8	0	0	0	113.7	Q169 F170 R174	Q169-F172 CarbonylContact O-C 3.54Å; Q169-F172 PolarHBondContact O-N 3.22Å; F170-F172 PolarHBondContact O-N 3.39Å; F172-R174 PolarHBondContact O-N 3.23Å
173	I	39.7	Very low	51.3	Low	104 Å²	104	114 Å²	114	53%	0.533	57%	0.572	S	S	.	*	S	Bend	trans	-70.9	93.2	162.5	-60.2	171.2	0	0	0	105.6	Q169 F170	Q169-I173 WeakPolarHBondContact O-CG1 3.44Å; Q169-I173 PolarHBondContact O-N 2.93Å; F170-I173 HydrophobicContact CD1-CD1 4.09Å; F170-I173 HydrophobicContact CE1-CD1 4.32Å; F170-I173 PolarHBondContact O-N 2.81Å
174	R	38.3	Very low	50	Low	201 Å²	201	114.1 Å²	114.1	76%	0.758	57%	0.572	S	S	*	*			trans	-33.2	155.3	171.4	-76.7	173.7	166	-179.4	-5.3	112.6	F172 I176	F172-R174 PolarHBondContact O-N 3.23Å; R174-I176 HydrophobicContact CB-CG1 4.37Å; R174-I176 PolarHBondContact O-N 3.45Å
175	P	40.8	Very low	48.8	Very low	137 Å²	137	119.9 Å²	119.9	89%	0.89	60%	0.597	S	S	*	*			trans	-67.3	77.9	166.8	31.6	-32.9	0	0	0	108.4
176	I	46.1	Very low	48.5	Very low	113 Å²	113	121.2 Å²	121.2	58%	0.579	61%	0.605	S	S	*	*			trans	-78.6	133.2	155.8	-59.5	172.9	0	0	0	103.1	R174 L178	R174-I176 HydrophobicContact CB-CG1 4.37Å; R174-I176 PolarHBondContact O-N 3.45Å; I176-L178 HydrophobicContact CB-CD1 4.34Å; I176-L178 HydrophobicContact CG2-CD1 4.23Å; I176-L178 HydrophobicContact CG2-CG 4.22Å; I176-L178 PolarHBondContact O-N 2.85Å
177	D	44.1	Very low	48.8	Very low	174 Å²	174	123.3 Å²	123.3	93%	0.93	61%	0.61	S	S	*	*			trans	-56.3	42.4	178.9	-87	-44.1	0	0	0	114.8	Q179	D177-Q179 PolarHBondContact O-N 3.44Å
178	L	46.8	Very low	50	Low	127 Å²	127	125.9 Å²	125.9	67%	0.665	63%	0.628	S	S	*	*			trans	-77.7	108.3	169.8	-73.9	159.3	0	0	0	105.7	I176 I180	I176-L178 HydrophobicContact CB-CD1 4.34Å; I176-L178 HydrophobicContact CG2-CD1 4.23Å; I176-L178 HydrophobicContact CG2-CG 4.22Å; I176-L178 PolarHBondContact O-N 2.85Å; L178-I180 PolarHBondContact O-N 3.48Å
179	Q	46.9	Very low	51.2	Low	188 Å²	188	127.5 Å²	127.5	88%	0.879	63%	0.629	S	S	*	*			trans	-17.5	106.2	155.4	-65.2	174.9	-4.7	0	0	108.9	D177 D181	D177-Q179 PolarHBondContact O-N 3.44Å; Q179-D181 PolarHBondContact O-N 3.46Å
180	I	47.9	Very low	52.3	Low	126 Å²	126	123.7 Å²	123.7	65%	0.646	61%	0.613	S	S	*	*			trans	-59.9	96	-177.6	-60.5	169.2	0	0	0	105	L178 E182 L184	L178-I180 PolarHBondContact O-N 3.48Å; I180-E182 PolarHBondContact O-N 3.04Å; I180-E182 VanDerWaalsContact O-N 3.16Å; I180-L184 HydrophobicContact CG2-CB 4.43Å
181	D	49.9	Very low	53.8	Low	110 Å²	110	122.3 Å²	122.3	59%	0.588	61%	0.611	S	S	*	*			trans	-53.5	123.9	172.8	-156.1	-10.7	0	0	0	104.7	Q179 S183 L184	Q179-D181 PolarHBondContact O-N 3.46Å; D181-S183 PolarHBondContact O-N 2.89Å; D181-L184 WeakPolarHBondContact O-CB 3.49Å; D181-L184 PolarHBondContact O-N 2.79Å
182	E	52.4	Low	55.6	Low	137 Å²	137	116.4 Å²	116.4	64%	0.64	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-59.7	-15.9	-173.5	-70.5	-155	127	0	0	111.6	I180 L184 K185	I180-E182 PolarHBondContact O-N 3.04Å; I180-E182 VanDerWaalsContact O-N 3.16Å; E182-L184 PolarHBondContact O-N 3.43Å; E182-K185 HydrophobicContact CG-CD 4.48Å; E182-K185 WeakPolarHBondContact O-CB 3.44Å; E182-K185 PolarHBondContact O-N 2.9Å; E182-K185 IonicContact OE1-NZ 2.81Å; E182-K185 PolarHBondContact OE1-NZ 3.3Å
183	S	51	Low	57.2	Low	65 Å²	65	110.2 Å²	110.2	46%	0.455	57%	0.568	S	S	.	*	G	3₁₀ helix	trans	-59.6	-25.6	168.6	66	0	0	0	0	114.3	D181 K185 D186	D181-S183 PolarHBondContact O-N 2.89Å; S183-K185 VanDerWaalsContact C-N 3.34Å; S183-D186 WeakPolarHBondContact O-CB 3.26Å; S183-D186 PolarHBondContact O-N 3.47Å
184	L	51.7	Low	59.2	Low	97 Å²	97	107.1 Å²	107.1	51%	0.508	55%	0.552	S	S	.	*	G	3₁₀ helix	trans	-79.5	-13.5	173.1	-79.2	165.6	0	0	0	113.2	I180 D181 E182 D186	I180-L184 HydrophobicContact CG2-CB 4.43Å; D181-L184 WeakPolarHBondContact O-CB 3.49Å; D181-L184 PolarHBondContact O-N 2.79Å; E182-L184 PolarHBondContact O-N 3.43Å; L184-D186 PolarHBondContact O-N 3.5Å
185	K	53.7	Low	61.3	Low	130 Å²	130	101.2 Å²	101.2	57%	0.565	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-76.5	-5.4	168.2	-63.8	179.7	-177.2	167.9	0	112.1	E182 S183 D187	E182-K185 HydrophobicContact CG-CD 4.48Å; E182-K185 WeakPolarHBondContact O-CB 3.44Å; E182-K185 PolarHBondContact O-N 2.9Å; E182-K185 IonicContact OE1-NZ 2.81Å; E182-K185 PolarHBondContact OE1-NZ 3.3Å; S183-K185 VanDerWaalsContact C-N 3.34Å; K185-D187 VanDerWaalsContact C-N 3.32Å; K185-D187 PolarHBondContact O-N 3.15Å
186	D	62.6	Low	63.4	Low	77 Å²	77	98.4 Å²	98.4	41%	0.412	51%	0.509	S	S	.	.			trans	-80.6	84.2	-179.7	-154.8	-13.3	0	0	0	109.8	S183 L184 S188 I189	S183-D186 WeakPolarHBondContact O-CB 3.26Å; S183-D186 PolarHBondContact O-N 3.47Å; L184-D186 PolarHBondContact O-N 3.5Å; D186-S188 PolarHBondContact O-N 2.96Å; D186-S188 VanDerWaalsContact OD1-CB 3.28Å; D186-S188 WeakPolarHBondContact OD1-CB 3.39Å; D186-S188 PolarHBondContact OD1-N 3.36Å; D186-S188 PolarHBondContact OD1-OG 2.83Å; D186-S188 PolarHBondContact OD2-OG 3.15Å; D186-I189 HydrophobicContact CB-CD1 4.15Å; D186-I189 HydrophobicContact CB-CG1 4.26Å; D186-I189 PolarHBondContact O-N 3.06Å
187	D	69	Low	65.3	Low	114 Å²	114	94.4 Å²	94.4	61%	0.61	49%	0.489	S	S	*	.	H	α-helix	trans	-47.6	-24.4	173.8	-76.2	-27.4	0	0	0	112	K185 N191	K185-D187 VanDerWaalsContact C-N 3.32Å; K185-D187 PolarHBondContact O-N 3.15Å; D187-N191 VanDerWaalsContact O-CB 3.3Å; D187-N191 WeakPolarHBondContact O-CB 3.43Å; D187-N191 PolarHBondContact O-N 3.26Å; D187-N191 PolarHBondContact O-ND2 3.13Å
188	S	75.8	Confident	67.3	Low	66 Å²	66	93.1 Å²	93.1	46%	0.462	47%	0.471	S	S	.	.	H	α-helix	trans	-62.6	-41.9	176.7	75.8	0	0	0	0	113.4	D186 N191 D192	D186-S188 PolarHBondContact O-N 2.96Å; D186-S188 VanDerWaalsContact OD1-CB 3.28Å; D186-S188 WeakPolarHBondContact OD1-CB 3.39Å; D186-S188 PolarHBondContact OD1-N 3.36Å; D186-S188 PolarHBondContact OD1-OG 2.83Å; D186-S188 PolarHBondContact OD2-OG 3.15Å; S188-N191 PolarHBondContact O-N 3.32Å; S188-D192 WeakPolarHBondContact O-CB 3.33Å; S188-D192 PolarHBondContact O-N 2.91Å
189	I	74.9	Confident	69.3	Low	77 Å²	77	88.3 Å²	88.3	40%	0.395	45%	0.447	S	S	.	.	H	α-helix	trans	-68.2	-43.5	-179.6	-61.6	175.7	0	0	0	109.8	D186 N191 D192 Q193	D186-I189 HydrophobicContact CB-CD1 4.15Å; D186-I189 HydrophobicContact CB-CG1 4.26Å; D186-I189 PolarHBondContact O-N 3.06Å; I189-N191 VanDerWaalsContact C-N 3.32Å; I189-N191 PolarHBondContact O-N 3.04Å; I189-D192 PolarHBondContact O-N 2.91Å; I189-Q193 WeakPolarHBondContact O-CB 3.31Å; I189-Q193 VanDerWaalsContact O-CG 3.24Å; I189-Q193 WeakPolarHBondContact O-CG 2.98Å; I189-Q193 PolarHBondContact O-N 2.87Å
190	I	73	Confident	71.4	Confident	61 Å²	61	80.2 Å²	80.2	31%	0.313	41%	0.408	S	S	.	.	H	α-helix	trans	-63.1	-42.5	177.9	-63	175.7	0	0	0	110	Q193 I194	I190-Q193 PolarHBondContact O-N 3.44Å; I190-I194 HydrophobicContact CG2-CD1 3.83Å; I190-I194 HydrophobicContact CG2-CG1 4.49Å; I190-I194 VanDerWaalsContact O-CG1 3.26Å; I190-I194 WeakPolarHBondContact O-CG1 3.43Å; I190-I194 PolarHBondContact O-N 2.92Å
191	N	77.9	Confident	73.3	Confident	88 Å²	88	79.6 Å²	79.6	47%	0.471	40%	0.403	S	S	.	.	H	α-helix	trans	-65.6	-45.8	178.2	-73.6	-32.9	0	0	0	112.2	D187 S188 I189 Q193 I194 D195	D187-N191 VanDerWaalsContact O-CB 3.3Å; D187-N191 WeakPolarHBondContact O-CB 3.43Å; D187-N191 PolarHBondContact O-N 3.26Å; D187-N191 PolarHBondContact O-ND2 3.13Å; S188-N191 PolarHBondContact O-N 3.32Å; I189-N191 VanDerWaalsContact C-N 3.32Å; I189-N191 PolarHBondContact O-N 3.04Å; N191-Q193 VanDerWaalsContact C-N 3.29Å; N191-Q193 PolarHBondContact O-N 3.47Å; N191-I194 PolarHBondContact O-N 3.44Å; N191-D195 PolarHBondContact O-N 3.34Å
192	D	81	Confident	75.3	Confident	74 Å²	74	76.6 Å²	76.6	40%	0.396	39%	0.388	S	S	.	.	H	α-helix	trans	-57.1	-42.3	175.2	175.2	67.2	0	0	0	111.9	S188 I189 D195 K196	S188-D192 WeakPolarHBondContact O-CB 3.33Å; S188-D192 PolarHBondContact O-N 2.91Å; I189-D192 PolarHBondContact O-N 2.91Å; D192-D195 PolarHBondContact O-N 2.91Å; D192-K196 WeakPolarHBondContact O-CG 3.29Å; D192-K196 PolarHBondContact O-N 2.77Å; D192-K196 IonicContact OD1-NZ 3.81Å; D192-K196 VanDerWaalsContact OD2-CE 3.25Å; D192-K196 WeakPolarHBondContact OD2-CE 3.39Å; D192-K196 IonicContact OD2-NZ 2.69Å; D192-K196 PolarHBondContact OD2-NZ 3.18Å
193	Q	77.6	Confident	77.2	Confident	48 Å²	48	70 Å²	70	22%	0.224	36%	0.358	C	S	.	.	H	α-helix	trans	-66.5	-42.6	177.1	-72.1	171.8	-8.6	0	0	112.5	A167 I189 I190 N191 D195 K196 I197	A167-Q193 HydrophobicContact CB-CB 3.94Å; A167-Q193 HydrophobicContact CB-CG 3.66Å; A167-Q193 VanDerWaalsContact CB-OE1 3.29Å; I189-Q193 WeakPolarHBondContact O-CB 3.31Å; I189-Q193 VanDerWaalsContact O-CG 3.24Å; I189-Q193 WeakPolarHBondContact O-CG 2.98Å; I189-Q193 PolarHBondContact O-N 2.87Å; I190-Q193 PolarHBondContact O-N 3.44Å; N191-Q193 VanDerWaalsContact C-N 3.29Å; N191-Q193 PolarHBondContact O-N 3.47Å; Q193-D195 VanDerWaalsContact C-N 3.28Å; Q193-D195 PolarHBondContact O-N 2.88Å; Q193-K196 PolarHBondContact O-N 2.92Å; Q193-I197 VanDerWaalsContact O-CG1 3.31Å; Q193-I197 WeakPolarHBondContact O-CG1 3.35Å; Q193-I197 PolarHBondContact O-N 2.91Å
194	I	81	Confident	79.1	Confident	39 Å²	39	69.5 Å²	69.5	20%	0.2	35%	0.349	C	S	.	.	H	α-helix	trans	-60	-43.2	175.4	-73.7	167.5	0	0	0	110.1	I190 N191 I197 R198	I190-I194 HydrophobicContact CG2-CD1 3.83Å; I190-I194 HydrophobicContact CG2-CG1 4.49Å; I190-I194 VanDerWaalsContact O-CG1 3.26Å; I190-I194 WeakPolarHBondContact O-CG1 3.43Å; I190-I194 PolarHBondContact O-N 2.92Å; N191-I194 PolarHBondContact O-N 3.44Å; I194-I197 PolarHBondContact O-N 3.44Å; I194-R198 HydrophobicContact CG2-CG 4.46Å; I194-R198 VanDerWaalsContact CG2-CZ 3.42Å; I194-R198 VanDerWaalsContact O-CG 3.31Å; I194-R198 WeakPolarHBondContact O-CG 3.27Å; I194-R198 PolarHBondContact O-N 3.2Å
195	D	84	Confident	81	Confident	77 Å²	77	67.8 Å²	67.8	41%	0.412	34%	0.341	S	S	.	.	H	α-helix	trans	-68.4	-41.1	-179.5	-70.7	-20.5	0	0	0	111.7	N191 D192 Q193 I197 R198 T199	N191-D195 PolarHBondContact O-N 3.34Å; D192-D195 PolarHBondContact O-N 2.91Å; Q193-D195 VanDerWaalsContact C-N 3.28Å; Q193-D195 PolarHBondContact O-N 2.88Å; D195-I197 VanDerWaalsContact C-N 3.34Å; D195-I197 PolarHBondContact O-N 3.45Å; D195-R198 WeakPolarHBondContact O-CB 3.42Å; D195-R198 PolarHBondContact O-N 2.73Å; D195-R198 VanDerWaalsContact O-N 3.15Å; D195-R198 IonicContact OD1-NH1 2.8Å; D195-R198 PolarHBondContact OD1-NH1 3.35Å; D195-T199 PolarHBondContact O-N 3.43Å; D195-T199 PolarHBondContact O-OG1 3Å; D195-T199 VanDerWaalsContact O-OG1 3.1Å
196	K	84.8	Confident	82.9	Confident	78 Å²	78	62.5 Å²	62.5	34%	0.339	32%	0.319	S	S	.	.	H	α-helix	trans	-55.5	-45.7	170.7	-78.7	171	178	162.5	0	112.7	F164 D192 Q193 Y200	F164-K196 HydrophobicContact CD1-CB 4.21Å; F164-K196 WeakPolarHBondContact CD1-O 3.45Å; D192-K196 WeakPolarHBondContact O-CG 3.29Å; D192-K196 PolarHBondContact O-N 2.77Å; D192-K196 IonicContact OD1-NZ 3.81Å; D192-K196 VanDerWaalsContact OD2-CE 3.25Å; D192-K196 WeakPolarHBondContact OD2-CE 3.39Å; D192-K196 IonicContact OD2-NZ 2.69Å; D192-K196 PolarHBondContact OD2-NZ 3.18Å; Q193-K196 PolarHBondContact O-N 2.92Å; K196-Y200 WeakPolarHBondContact O-CB 3.43Å; K196-Y200 PolarHBondContact O-N 2.8Å
197	I	84.9	Confident	84.4	Confident	30 Å²	30	58.9 Å²	58.9	15%	0.154	30%	0.299	C	S	.	.	H	α-helix	trans	-63.1	-43.7	177.4	-67.6	166.5	0	0	0	110.6	F164 L165 A168 Q193 I194 D195 Y200 Q201	F164-I197 WeakPolarHBondContact O-CG1 3.47Å; L165-I197 HydrophobicContact CD2-CG1 4.27Å; L165-I197 HydrophobicContact CD2-CG2 4.32Å; A168-I197 HydrophobicContact CB-CD1 4.07Å; Q193-I197 VanDerWaalsContact O-CG1 3.31Å; Q193-I197 WeakPolarHBondContact O-CG1 3.35Å; Q193-I197 PolarHBondContact O-N 2.91Å; I194-I197 PolarHBondContact O-N 3.44Å; D195-I197 VanDerWaalsContact C-N 3.34Å; D195-I197 PolarHBondContact O-N 3.45Å; I197-Y200 PolarHBondContact O-N 2.88Å; I197-Q201 HydrophobicContact CG2-CG 4.5Å; I197-Q201 WeakPolarHBondContact O-CG 3.5Å; I197-Q201 PolarHBondContact O-N 3.49Å
198	R	86.9	Confident	85.5	Confident	146 Å²	146	61 Å²	61	55%	0.551	30%	0.298	S	S	*	.	H	α-helix	trans	-61	-51.6	178	-75.2	169.6	174.7	164.1	-3.2	111.2	I194 D195 Y200 Q201 T202	I194-R198 HydrophobicContact CG2-CG 4.46Å; I194-R198 VanDerWaalsContact CG2-CZ 3.42Å; I194-R198 VanDerWaalsContact O-CG 3.31Å; I194-R198 WeakPolarHBondContact O-CG 3.27Å; I194-R198 PolarHBondContact O-N 3.2Å; D195-R198 WeakPolarHBondContact O-CB 3.42Å; D195-R198 PolarHBondContact O-N 2.73Å; D195-R198 VanDerWaalsContact O-N 3.15Å; D195-R198 IonicContact OD1-NH1 2.8Å; D195-R198 PolarHBondContact OD1-NH1 3.35Å; R198-Y200 VanDerWaalsContact C-N 3.32Å; R198-Y200 PolarHBondContact O-N 3.33Å; R198-Q201 PolarHBondContact O-N 2.7Å; R198-Q201 VanDerWaalsContact O-N 3.15Å; R198-T202 WeakPolarHBondContact O-CB 3.45Å; R198-T202 PolarHBondContact O-N 2.87Å; R198-T202 PolarHBondContact O-OG1 3.5Å; R198-T202 VanDerWaalsContact O-OG1 3.06Å
199	T	89.2	Confident	86.3	Confident	27 Å²	27	59.6 Å²	59.6	17%	0.166	29%	0.286	C	S	.	.	H	α-helix	trans	-60.2	-42.3	179.9	-56.4	0	0	0	0	111.6	E35 K36 V37 D195 Q201 T202 N203	E35-T199 HydrophobicContact CB-CG2 3.9Å; K36-T199 WeakPolarHBondContact O-CG2 3.35Å; V37-T199 HydrophobicContact CG1-CG2 3.89Å; D195-T199 PolarHBondContact O-N 3.43Å; D195-T199 PolarHBondContact O-OG1 3Å; D195-T199 VanDerWaalsContact O-OG1 3.1Å; T199-Q201 PolarHBondContact O-N 2.81Å; T199-T202 PolarHBondContact O-N 2.74Å; T199-N203 WeakPolarHBondContact O-CB 3.28Å; T199-N203 PolarHBondContact O-N 3.02Å
200	Y	89.5	Confident	87.2	Confident	17 Å²	17	56 Å²	56	7%	0.067	27%	0.267	C	S	.	.	H	α-helix	trans	-57.7	-49.7	173.7	169.3	-93	0	0	0	111.9	L157 L158 K161 F164 K196 I197 R198 N203 I204	L157-Y200 HydrophobicContact CD1-CD2 3.85Å; L157-Y200 HydrophobicContact CD1-CE2 4.31Å; L157-Y200 HydrophobicContact CD2-CD2 4.39Å; L157-Y200 HydrophobicContact CG-CD2 3.85Å; L157-Y200 HydrophobicContact CG-CE2 3.87Å; L157-Y200 WeakPolarHBondContact O-CE2 3.3Å; L158-Y200 WeakPolarHBondContact CD2-OH 3.38Å; K161-Y200 HydrophobicContact CB-CE2 4.31Å; K161-Y200 HydrophobicContact CG-CE2 4.5Å; F164-Y200 HydrophobicContact CB-CD2 4.24Å; F164-Y200 HydrophobicContact CB-CG 4.02Å; F164-Y200 HydrophobicContact CD1-CD2 4.49Å; F164-Y200 HydrophobicContact CD1-CG 4.45Å; F164-Y200 AromaticContact CD2-CD2 3.38Å; F164-Y200 HydrophobicContact CD2-CD2 3.38Å; F164-Y200 HydrophobicContact CD2-CE2 4.07Å; F164-Y200 AromaticContact CD2-CG 3.99Å; F164-Y200 HydrophobicContact CD2-CG 3.99Å; F164-Y200 AromaticContact CE2-CD2 3.79Å; F164-Y200 HydrophobicContact CE2-CD2 3.79Å; F164-Y200 AromaticContact CG-CD2 3.79Å; F164-Y200 HydrophobicContact CG-CD2 3.79Å; F164-Y200 AromaticContact CG-CG 3.9Å; F164-Y200 HydrophobicContact CG-CG 3.9Å; F164-Y200 HydrophobicContact CZ-CD2 4.5Å; K196-Y200 WeakPolarHBondContact O-CB 3.43Å; K196-Y200 PolarHBondContact O-N 2.8Å; I197-Y200 PolarHBondContact O-N 2.88Å; R198-Y200 VanDerWaalsContact C-N 3.32Å; R198-Y200 PolarHBondContact O-N 3.33Å; Y200-N203 PolarHBondContact O-N 3.38Å; Y200-I204 HydrophobicContact CE1-CG1 4.15Å; Y200-I204 HydrophobicContact CE2-CD1 4.43Å; Y200-I204 HydrophobicContact CE2-CG1 4.25Å; Y200-I204 WeakPolarHBondContact O-CG1 3.31Å; Y200-I204 PolarHBondContact O-N 3.31Å
201	Q	89.2	Confident	88.1	Confident	114 Å²	114	54.9 Å²	54.9	53%	0.533	26%	0.262	S	S	.	.	H	α-helix	trans	-64.2	-42.5	179.3	-72.4	178.3	-6.6	0	0	112.2	I197 R198 T199 N203 I204 N205	I197-Q201 HydrophobicContact CG2-CG 4.5Å; I197-Q201 WeakPolarHBondContact O-CG 3.5Å; I197-Q201 PolarHBondContact O-N 3.49Å; R198-Q201 PolarHBondContact O-N 2.7Å; R198-Q201 VanDerWaalsContact O-N 3.15Å; T199-Q201 PolarHBondContact O-N 2.81Å; Q201-N203 VanDerWaalsContact C-N 3.35Å; Q201-N203 PolarHBondContact O-N 3.47Å; Q201-I204 PolarHBondContact O-N 2.76Å; Q201-N205 PolarHBondContact O-N 3.03Å
202	T	91.2	Very high	88.8	Confident	46 Å²	46	54.6 Å²	54.6	28%	0.282	26%	0.26	S	S	.	.	H	α-helix	trans	-57.7	-47.9	174.7	-66.1	0	0	0	0	110.5	R198 T199 I204 N205 N206	R198-T202 WeakPolarHBondContact O-CB 3.45Å; R198-T202 PolarHBondContact O-N 2.87Å; R198-T202 PolarHBondContact O-OG1 3.5Å; R198-T202 VanDerWaalsContact O-OG1 3.06Å; T199-T202 PolarHBondContact O-N 2.74Å; T202-I204 PolarHBondContact O-N 3.19Å; T202-N205 PolarHBondContact O-N 3.2Å; T202-N206 VanDerWaalsContact CG2-ND2 3.35Å; T202-N206 WeakPolarHBondContact CG2-ND2 3.38Å; T202-N206 VanDerWaalsContact O-CB 3.31Å; T202-N206 WeakPolarHBondContact O-CB 3.45Å; T202-N206 PolarHBondContact O-N 2.83Å; T202-N206 PolarHBondContact O-OD1 3.21Å
203	N	93	Very high	89.3	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-67.6	-35.5	-179.7	-83.3	-15.9	0	0	0	114.1	L34 E35 V37 Y153 L157 T199 Y200 Q201 N205 S207	L34-N203 WeakPolarHBondContact CA-OD1 3.37Å; L34-N203 HydrophobicContact CD2-CB 4.47Å; E35-N203 PolarHBondContact N-OD1 3.06Å; E35-N203 PolarHBondContact O-ND2 2.94Å; V37-N203 WeakPolarHBondContact CG1-ND2 3.44Å; Y153-N203 HydrophobicContact CE1-CB 4.42Å; Y153-N203 PolarHBondContact OH-ND2 2.91Å; L157-N203 HydrophobicContact CD2-CB 3.71Å; T199-N203 WeakPolarHBondContact O-CB 3.28Å; T199-N203 PolarHBondContact O-N 3.02Å; Y200-N203 PolarHBondContact O-N 3.38Å; Q201-N203 VanDerWaalsContact C-N 3.35Å; Q201-N203 PolarHBondContact O-N 3.47Å; N203-N205 VanDerWaalsContact C-N 3.34Å; N203-S207 VanDerWaalsContact O-CB 3.25Å; N203-S207 WeakPolarHBondContact O-CB 3.35Å; N203-S207 PolarHBondContact O-N 3.22Å; N203-S207 PolarHBondContact O-OG 3.18Å
204	I	91.1	Very high	90	Very high	53 Å²	53	49.3 Å²	49.3	27%	0.272	23%	0.233	S	C	.	.	H	α-helix	trans	-61.6	-45.7	171.4	-69	-70.7	0	0	0	110.2	T154 L157 L158 Y200 Q201 T202 R208	T154-I204 HydrophobicContact CG2-CD1 4.35Å; L157-I204 HydrophobicContact CD2-CD1 3.68Å; L157-I204 HydrophobicContact CD2-CG1 3.84Å; L157-I204 HydrophobicContact CG-CD1 4.19Å; L158-I204 HydrophobicContact CD2-CD1 4Å; L158-I204 HydrophobicContact CG-CD1 4.3Å; Y200-I204 HydrophobicContact CE1-CG1 4.15Å; Y200-I204 HydrophobicContact CE2-CD1 4.43Å; Y200-I204 HydrophobicContact CE2-CG1 4.25Å; Y200-I204 WeakPolarHBondContact O-CG1 3.31Å; Y200-I204 PolarHBondContact O-N 3.31Å; Q201-I204 PolarHBondContact O-N 2.76Å; T202-I204 PolarHBondContact O-N 3.19Å; I204-R208 PolarHBondContact O-N 3.18Å
205	N	90.8	Very high	90.5	Very high	62 Å²	62	49.9 Å²	49.9	33%	0.332	24%	0.236	S	C	.	.	H	α-helix	trans	-66.8	-45	178.8	-174.1	45.9	0	0	0	112.1	Q201 T202 N203 S207 R208 I209	Q201-N205 PolarHBondContact O-N 3.03Å; T202-N205 PolarHBondContact O-N 3.2Å; N203-N205 VanDerWaalsContact C-N 3.34Å; N205-S207 PolarHBondContact O-N 3.44Å; N205-R208 WeakPolarHBondContact O-CB 3.44Å; N205-R208 PolarHBondContact O-N 3.19Å; N205-R208 PolarHBondContact OD1-NH2 3.24Å; N205-I209 WeakPolarHBondContact O-CG1 3.37Å; N205-I209 PolarHBondContact O-N 3.15Å
206	N	93.5	Very high	90.8	Very high	19 Å²	19	51.1 Å²	51.1	10%	0.102	24%	0.235	C	C	.	.	H	α-helix	trans	-64.5	-41	180	-69.2	-1.7	0	0	0	110.9	V32 L33 L34 T202 R208 I209 L210	V32-N206 HydrophobicContact CG1-CB 3.57Å; V32-N206 WeakPolarHBondContact CG1-OD1 3.49Å; L33-N206 PolarHBondContact O-ND2 3.37Å; L34-N206 HydrophobicContact CD2-CB 3.99Å; T202-N206 VanDerWaalsContact CG2-ND2 3.35Å; T202-N206 WeakPolarHBondContact CG2-ND2 3.38Å; T202-N206 VanDerWaalsContact O-CB 3.31Å; T202-N206 WeakPolarHBondContact O-CB 3.45Å; T202-N206 PolarHBondContact O-N 2.83Å; T202-N206 PolarHBondContact O-OD1 3.21Å; N206-R208 VanDerWaalsContact C-N 3.3Å; N206-R208 PolarHBondContact O-N 3.42Å; N206-I209 PolarHBondContact O-N 3.24Å; N206-I209 VanDerWaalsContact O-N 3.15Å; N206-L210 WeakPolarHBondContact O-CB 3.44Å; N206-L210 VanDerWaalsContact O-CG 3.27Å; N206-L210 WeakPolarHBondContact O-CG 3.4Å; N206-L210 PolarHBondContact O-N 2.92Å
207	S	93.8	Very high	91	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.007	22%	0.221	C	C	.	.	H	α-helix	trans	-57.9	-42.8	173.9	-60.3	0	0	0	0	111.8	L34 I150 T154 N203 N205 L210 L211	L34-S207 WeakPolarHBondContact CD2-OG 3.47Å; I150-S207 WeakPolarHBondContact CG2-O 3.21Å; T154-S207 VanDerWaalsContact OG1-CB 3.31Å; T154-S207 WeakPolarHBondContact OG1-CB 3.27Å; N203-S207 VanDerWaalsContact O-CB 3.25Å; N203-S207 WeakPolarHBondContact O-CB 3.35Å; N203-S207 PolarHBondContact O-N 3.22Å; N203-S207 PolarHBondContact O-OG 3.18Å; N205-S207 PolarHBondContact O-N 3.44Å; S207-L210 PolarHBondContact O-N 3.44Å; S207-L211 VanDerWaalsContact O-CB 3.28Å; S207-L211 WeakPolarHBondContact O-CB 3.44Å; S207-L211 PolarHBondContact O-N 3.4Å
208	R	92.9	Very high	91.3	Very high	157 Å²	157	46.5 Å²	46.5	59%	0.592	21%	0.214	S	C	*	.	H	α-helix	trans	-65	-41.8	175.4	-178.9	-179.8	62.8	169.4	-2.2	112.3	I204 N205 N206 N212	I204-R208 PolarHBondContact O-N 3.18Å; N205-R208 WeakPolarHBondContact O-CB 3.44Å; N205-R208 PolarHBondContact O-N 3.19Å; N205-R208 PolarHBondContact OD1-NH2 3.24Å; N206-R208 VanDerWaalsContact C-N 3.3Å; N206-R208 PolarHBondContact O-N 3.42Å; R208-N212 PolarHBondContact O-N 3.1Å; R208-N212 VanDerWaalsContact O-N 3.15Å; R208-N212 PolarHBondContact O-ND2 3.37Å
209	I	92	Very high	91.4	Very high	38 Å²	38	41.9 Å²	41.9	20%	0.195	20%	0.199	C	C	.	.	H	α-helix	trans	-62.9	-49.2	177.2	-68.6	166.7	0	0	0	110.1	V32 N205 N206 L211 N212 E213	V32-I209 HydrophobicContact CB-CG2 4.27Å; V32-I209 HydrophobicContact CG1-CB 4.42Å; V32-I209 HydrophobicContact CG1-CG2 4.27Å; V32-I209 HydrophobicContact CG2-CD1 4.48Å; V32-I209 HydrophobicContact CG2-CG2 4.24Å; N205-I209 WeakPolarHBondContact O-CG1 3.37Å; N205-I209 PolarHBondContact O-N 3.15Å; N206-I209 PolarHBondContact O-N 3.24Å; N206-I209 VanDerWaalsContact O-N 3.15Å; I209-L211 PolarHBondContact O-N 3.49Å; I209-N212 PolarHBondContact O-N 2.86Å; I209-E213 WeakPolarHBondContact O-CB 3.25Å; I209-E213 PolarHBondContact O-N 2.82Å
210	L	93.5	Very high	91.3	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.3	-42.6	178.9	-71.1	176.2	0	0	0	111.8	V32 L34 I49 I53 I150 N206 S207 N212 E213 V214	V32-L210 WeakPolarHBondContact O-CD2 3.34Å; L34-L210 HydrophobicContact CD2-CD1 4.21Å; L34-L210 HydrophobicContact CG-CD1 4.02Å; I49-L210 HydrophobicContact CG2-CD1 4.36Å; I53-L210 HydrophobicContact CD1-CB 4.45Å; I53-L210 HydrophobicContact CD1-CD2 3.93Å; I53-L210 HydrophobicContact CG1-CD1 4.25Å; I53-L210 HydrophobicContact CG1-CD2 3.91Å; I53-L210 HydrophobicContact CG2-CD2 4.01Å; I150-L210 HydrophobicContact CD1-CB 3.94Å; N206-L210 WeakPolarHBondContact O-CB 3.44Å; N206-L210 VanDerWaalsContact O-CG 3.27Å; N206-L210 WeakPolarHBondContact O-CG 3.4Å; N206-L210 PolarHBondContact O-N 2.92Å; S207-L210 PolarHBondContact O-N 3.44Å; L210-N212 VanDerWaalsContact C-N 3.34Å; L210-N212 PolarHBondContact O-N 3.02Å; L210-E213 WeakPolarHBondContact O-CB 3.24Å; L210-E213 PolarHBondContact O-N 3.48Å; L210-E213 VanDerWaalsContact O-N 3.17Å; L210-V214 VanDerWaalsContact O-CG2 3.31Å; L210-V214 WeakPolarHBondContact O-CG2 3.38Å; L210-V214 PolarHBondContact O-N 3.38Å
211	L	93.4	Very high	91.4	Very high	38 Å²	38	43.2 Å²	43.2	20%	0.199	20%	0.201	C	C	.	.	H	α-helix	trans	-58.6	-46	176.5	-175	65.2	0	0	0	111.7	Q147 I150 L151 S207 I209 E213 V214 D215	Q147-L211 HydrophobicContact CB-CD1 4.43Å; Q147-L211 HydrophobicContact CG-CD1 3.65Å; I150-L211 HydrophobicContact CG2-CB 4.24Å; L151-L211 HydrophobicContact CD2-CD1 4.31Å; L151-L211 HydrophobicContact CD2-CD2 3.88Å; L151-L211 HydrophobicContact CG-CD1 4.22Å; S207-L211 VanDerWaalsContact O-CB 3.28Å; S207-L211 WeakPolarHBondContact O-CB 3.44Å; S207-L211 PolarHBondContact O-N 3.4Å; I209-L211 PolarHBondContact O-N 3.49Å; L211-E213 VanDerWaalsContact C-N 3.33Å; L211-V214 PolarHBondContact O-N 3.01Å; L211-D215 WeakPolarHBondContact O-CB 3.49Å; L211-D215 PolarHBondContact O-N 3.43Å
212	N	91.7	Very high	91.4	Very high	83 Å²	83	39 Å²	39	44%	0.444	18%	0.181	S	C	.	.	H	α-helix	trans	-67.9	-32.2	176.9	-71.4	-23.5	0	0	0	112.6	R208 I209 L210 R216	R208-N212 PolarHBondContact O-N 3.1Å; R208-N212 VanDerWaalsContact O-N 3.15Å; R208-N212 PolarHBondContact O-ND2 3.37Å; I209-N212 PolarHBondContact O-N 2.86Å; L210-N212 VanDerWaalsContact C-N 3.34Å; L210-N212 PolarHBondContact O-N 3.02Å; N212-R216 WeakPolarHBondContact O-CB 3.31Å; N212-R216 VanDerWaalsContact O-CG 3.26Å; N212-R216 WeakPolarHBondContact O-CG 3.4Å; N212-R216 PolarHBondContact O-N 3.34Å; N212-R216 PolarHBondContact O-NE 2.98Å; N212-R216 VanDerWaalsContact O-NE 3.09Å
213	E	91.1	Very high	91.3	Very high	10 Å²	10	41.2 Å²	41.2	5%	0.047	19%	0.185	C	C	.	.	H	α-helix	trans	-67.3	-48.8	175.2	-163.7	-166	146.8	0	0	111	R57 I209 L210 L211 R216 M217	R57-E213 IonicContact CZ-OE1 2.74Å; R57-E213 IonicContact CZ-OE2 3.24Å; R57-E213 IonicContact NE-OE1 3.17Å; R57-E213 PolarHBondContact NE-OE1 2.96Å; R57-E213 IonicContact NE-OE2 2.72Å; R57-E213 IonicContact NH2-OE1 2.63Å; R57-E213 PolarHBondContact NH2-OE1 3.15Å; R57-E213 IonicContact NH2-OE2 3.73Å; R57-E213 PolarHBondContact NH2-OE2 3.48Å; I209-E213 WeakPolarHBondContact O-CB 3.25Å; I209-E213 PolarHBondContact O-N 2.82Å; L210-E213 WeakPolarHBondContact O-CB 3.24Å; L210-E213 PolarHBondContact O-N 3.48Å; L210-E213 VanDerWaalsContact O-N 3.17Å; L211-E213 VanDerWaalsContact C-N 3.33Å; E213-R216 PolarHBondContact O-N 3.34Å; E213-M217 HydrophobicContact CB-CE 4.42Å; E213-M217 HydrophobicContact CG-CE 3.51Å; E213-M217 WeakPolarHBondContact O-CG 3.45Å; E213-M217 PolarHBondContact O-N 3.1Å; E213-M217 WeakPolarHBondContact OE1-CE 3.32Å
214	V	92.7	Very high	91.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.4	-43.9	179.5	173.4	0	0	0	0	111.4	I53 L56 S143 L146 Q147 I150 L210 L211 M217 N218	I53-V214 HydrophobicContact CD1-CG2 3.79Å; L56-V214 HydrophobicContact CD2-CG2 4.11Å; S143-V214 VanDerWaalsContact O-CG1 3.3Å; S143-V214 WeakPolarHBondContact O-CG1 3.49Å; L146-V214 HydrophobicContact CD2-CG2 3.99Å; L146-V214 HydrophobicContact CG-CG2 4.13Å; Q147-V214 HydrophobicContact CB-CG1 4.35Å; I150-V214 HydrophobicContact CD1-CG2 4.11Å; L210-V214 VanDerWaalsContact O-CG2 3.31Å; L210-V214 WeakPolarHBondContact O-CG2 3.38Å; L210-V214 PolarHBondContact O-N 3.38Å; L211-V214 PolarHBondContact O-N 3.01Å; V214-M217 PolarHBondContact O-N 3.42Å; V214-N218 VanDerWaalsContact O-CB 3.26Å; V214-N218 WeakPolarHBondContact O-CB 3.47Å; V214-N218 PolarHBondContact O-N 3.43Å
215	D	91.8	Very high	91.1	Very high	51 Å²	51	39.1 Å²	39.1	27%	0.273	17%	0.174	S	C	.	.	H	α-helix	trans	-61.3	-46.5	176.7	-179.1	45.3	0	0	0	111.6	L211 M217 N218 Q219	L211-D215 WeakPolarHBondContact O-CB 3.49Å; L211-D215 PolarHBondContact O-N 3.43Å; D215-M217 PolarHBondContact O-N 2.93Å; D215-N218 PolarHBondContact O-N 3.34Å; D215-Q219 WeakPolarHBondContact O-CB 3.36Å; D215-Q219 VanDerWaalsContact O-CG 3.3Å; D215-Q219 WeakPolarHBondContact O-CG 3.24Å; D215-Q219 PolarHBondContact O-N 3.03Å; D215-Q219 PolarHBondContact OD1-NE2 2.69Å; D215-Q219 PolarHBondContact OD2-NE2 2.93Å
216	R	89.5	Confident	91	Very high	103 Å²	103	41.5 Å²	41.5	39%	0.389	18%	0.179	S	C	.	.	H	α-helix	trans	-61	-45.4	176.6	-77.2	-175.8	-70.2	170.4	3.2	112.4	N212 E213 Q219 R220	N212-R216 WeakPolarHBondContact O-CB 3.31Å; N212-R216 VanDerWaalsContact O-CG 3.26Å; N212-R216 WeakPolarHBondContact O-CG 3.4Å; N212-R216 PolarHBondContact O-N 3.34Å; N212-R216 PolarHBondContact O-NE 2.98Å; N212-R216 VanDerWaalsContact O-NE 3.09Å; E213-R216 PolarHBondContact O-N 3.34Å; R216-Q219 PolarHBondContact O-N 3.34Å; R216-R220 WeakPolarHBondContact O-CB 3.49Å; R216-R220 PolarHBondContact O-N 3.27Å
217	M	89.1	Confident	90.8	Very high	7 Å²	7	41.2 Å²	41.2	3%	0.034	18%	0.177	C	C	.	.	H	α-helix	trans	-57.9	-50.5	174.9	-76.7	-165.8	-113.9	0	0	111.1	L56 R57 R60 E213 V214 D215 Q219 R220 I221	L56-M217 HydrophobicContact CD2-CE 4.02Å; L56-M217 HydrophobicContact CD2-SD 3.94Å; L56-M217 HydrophobicContact CG-SD 4.22Å; R57-M217 HydrophobicContact CG-CE 4.33Å; R60-M217 HydrophobicContact CB-SD 4.47Å; R60-M217 WeakPolarHBondContact CD-SD 3.21Å; R60-M217 HydrophobicContact CG-SD 4.48Å; E213-M217 HydrophobicContact CB-CE 4.42Å; E213-M217 HydrophobicContact CG-CE 3.51Å; E213-M217 WeakPolarHBondContact O-CG 3.45Å; E213-M217 PolarHBondContact O-N 3.1Å; E213-M217 WeakPolarHBondContact OE1-CE 3.32Å; V214-M217 PolarHBondContact O-N 3.42Å; D215-M217 PolarHBondContact O-N 2.93Å; M217-Q219 PolarHBondContact O-N 3.41Å; M217-R220 WeakPolarHBondContact O-CB 3.32Å; M217-R220 PolarHBondContact O-N 3.05Å; M217-R220 VanDerWaalsContact O-N 3.14Å; M217-I221 HydrophobicContact CB-CD1 4.4Å; M217-I221 VanDerWaalsContact O-CD1 3.28Å; M217-I221 WeakPolarHBondContact O-CD1 3.4Å; M217-I221 VanDerWaalsContact O-CG1 3.26Å; M217-I221 WeakPolarHBondContact O-CG1 3.45Å; M217-I221 PolarHBondContact O-N 3.36Å
218	N	90.9	Very high	90.7	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-60.7	-44.8	-177.8	-168.9	-2.2	0	0	0	112	S143 D144 V214 D215 R220 I221 K222	S143-N218 WeakPolarHBondContact OG-CB 3.44Å; S143-N218 PolarHBondContact OG-ND2 3.38Å; S143-N218 PolarHBondContact OG-OD1 2.88Å; D144-N218 PolarHBondContact OD1-ND2 2.94Å; V214-N218 VanDerWaalsContact O-CB 3.26Å; V214-N218 WeakPolarHBondContact O-CB 3.47Å; V214-N218 PolarHBondContact O-N 3.43Å; D215-N218 PolarHBondContact O-N 3.34Å; N218-R220 VanDerWaalsContact C-N 3.32Å; N218-R220 PolarHBondContact O-N 3.46Å; N218-I221 PolarHBondContact O-N 2.93Å; N218-K222 VanDerWaalsContact CG-NZ 3.33Å; N218-K222 PolarHBondContact ND2-NZ 2.89Å; N218-K222 VanDerWaalsContact O-CB 3.31Å; N218-K222 WeakPolarHBondContact O-CB 3.37Å; N218-K222 VanDerWaalsContact O-CG 3.32Å; N218-K222 WeakPolarHBondContact O-CG 3.31Å; N218-K222 PolarHBondContact O-N 3.19Å; N218-K222 VanDerWaalsContact OD1-CD 3.31Å; N218-K222 WeakPolarHBondContact OD1-CD 3.36Å; N218-K222 WeakPolarHBondContact OD1-CE 3.25Å; N218-K222 PolarHBondContact OD1-NZ 3.4Å
219	Q	90.3	Very high	90.6	Very high	49 Å²	49	35.6 Å²	35.6	23%	0.229	16%	0.158	C	C	.	.	H	α-helix	trans	-59.1	-43.7	174.6	-72.4	174.5	16.9	0	0	111.8	D215 R216 M217 K222 Y223	D215-Q219 WeakPolarHBondContact O-CB 3.36Å; D215-Q219 VanDerWaalsContact O-CG 3.3Å; D215-Q219 WeakPolarHBondContact O-CG 3.24Å; D215-Q219 PolarHBondContact O-N 3.03Å; D215-Q219 PolarHBondContact OD1-NE2 2.69Å; D215-Q219 PolarHBondContact OD2-NE2 2.93Å; R216-Q219 PolarHBondContact O-N 3.34Å; M217-Q219 PolarHBondContact O-N 3.41Å; Q219-K222 PolarHBondContact O-N 2.95Å; Q219-Y223 WeakPolarHBondContact O-CB 3.44Å; Q219-Y223 PolarHBondContact O-N 2.91Å
220	R	87.3	Confident	90.5	Very high	66 Å²	66	38.6 Å²	38.6	25%	0.249	17%	0.17	C	C	.	.	H	α-helix	trans	-64.8	-45.4	178.5	-177.1	53.9	167.4	-139.9	-9.7	112.3	L75 N78 R216 M217 N218 Y223 I224	L75-R220 PolarHBondContact O-NH2 2.96Å; N78-R220 PolarHBondContact ND2-NH1 3.06Å; N78-R220 PolarHBondContact ND2-NH2 2.96Å; N78-R220 PolarHBondContact OD1-NE 3.3Å; N78-R220 PolarHBondContact OD1-NH2 3.5Å; R216-R220 WeakPolarHBondContact O-CB 3.49Å; R216-R220 PolarHBondContact O-N 3.27Å; M217-R220 WeakPolarHBondContact O-CB 3.32Å; M217-R220 PolarHBondContact O-N 3.05Å; M217-R220 VanDerWaalsContact O-N 3.14Å; N218-R220 VanDerWaalsContact C-N 3.32Å; N218-R220 PolarHBondContact O-N 3.46Å; R220-Y223 WeakPolarHBondContact O-CB 3.45Å; R220-Y223 PolarHBondContact O-N 3.45Å; R220-I224 HydrophobicContact CG-CD1 4.05Å; R220-I224 WeakPolarHBondContact O-CG1 3.1Å; R220-I224 PolarHBondContact O-N 3.4Å
221	I	90	Very high	90.4	Very high	6 Å²	6	38.6 Å²	38.6	3%	0.031	17%	0.17	C	C	.	.	H	α-helix	trans	-64.9	-42.9	178.2	-62.8	151.4	0	0	0	110.5	M63 C136 L139 I140 M217 N218 Y223 I224 F225	M63-I221 HydrophobicContact SD-CG1 4.41Å; M63-I221 HydrophobicContact SD-CG2 4.38Å; C136-I221 HydrophobicContact CB-CG2 4.19Å; L139-I221 HydrophobicContact CB-CD1 3.47Å; L139-I221 VanDerWaalsContact CB-CD1 3.47Å; L139-I221 HydrophobicContact CB-CG1 4.33Å; L139-I221 HydrophobicContact CB-CG2 4.25Å; L139-I221 HydrophobicContact CD1-CD1 3.92Å; L139-I221 HydrophobicContact CD1-CG1 4.22Å; L139-I221 HydrophobicContact CD2-CD1 4.46Å; L139-I221 HydrophobicContact CG-CD1 4.16Å; I140-I221 HydrophobicContact CD1-CG2 4.11Å; I140-I221 HydrophobicContact CG1-CB 4.38Å; I140-I221 HydrophobicContact CG1-CG2 3.72Å; M217-I221 HydrophobicContact CB-CD1 4.4Å; M217-I221 VanDerWaalsContact O-CD1 3.28Å; M217-I221 WeakPolarHBondContact O-CD1 3.4Å; M217-I221 VanDerWaalsContact O-CG1 3.26Å; M217-I221 WeakPolarHBondContact O-CG1 3.45Å; M217-I221 PolarHBondContact O-N 3.36Å; N218-I221 PolarHBondContact O-N 2.93Å; I221-Y223 VanDerWaalsContact C-N 3.27Å; I221-Y223 PolarHBondContact O-N 2.97Å; I221-I224 PolarHBondContact O-N 2.92Å; I221-F225 WeakPolarHBondContact O-CB 3.45Å; I221-F225 PolarHBondContact O-N 2.95Å
222	K	90.9	Very high	90.2	Very high	26 Å²	26	36.9 Å²	36.9	11%	0.113	16%	0.162	C	C	.	.	H	α-helix	trans	-59.6	-38.4	174.2	-78.7	170.3	174.1	151	0	111.7	I140 D144 N218 Q219 R226	I140-K222 HydrophobicContact CD1-CG 3.92Å; I140-K222 HydrophobicContact CG1-CG 4.04Å; D144-K222 IonicContact OD1-NZ 3.24Å; D144-K222 PolarHBondContact OD1-NZ 2.96Å; N218-K222 VanDerWaalsContact CG-NZ 3.33Å; N218-K222 PolarHBondContact ND2-NZ 2.89Å; N218-K222 VanDerWaalsContact O-CB 3.31Å; N218-K222 WeakPolarHBondContact O-CB 3.37Å; N218-K222 VanDerWaalsContact O-CG 3.32Å; N218-K222 WeakPolarHBondContact O-CG 3.31Å; N218-K222 PolarHBondContact O-N 3.19Å; N218-K222 VanDerWaalsContact OD1-CD 3.31Å; N218-K222 WeakPolarHBondContact OD1-CD 3.36Å; N218-K222 WeakPolarHBondContact OD1-CE 3.25Å; N218-K222 PolarHBondContact OD1-NZ 3.4Å; Q219-K222 PolarHBondContact O-N 2.95Å; K222-R226 VanDerWaalsContact O-CG 3.27Å; K222-R226 WeakPolarHBondContact O-CG 3.39Å; K222-R226 PolarHBondContact O-N 2.98Å; K222-R226 VanDerWaalsContact O-N 3.08Å
223	Y	89	Confident	90.1	Very high	93 Å²	93	35 Å²	35	37%	0.365	16%	0.158	S	C	.	.	H	α-helix	trans	-64.6	-50.3	174.8	177	-90.4	0	0	0	111.7	N78 Q219 R220 I221 F225 R226 N227	N78-Y223 WeakPolarHBondContact ND2-CE1 3.41Å; Q219-Y223 WeakPolarHBondContact O-CB 3.44Å; Q219-Y223 PolarHBondContact O-N 2.91Å; R220-Y223 WeakPolarHBondContact O-CB 3.45Å; R220-Y223 PolarHBondContact O-N 3.45Å; I221-Y223 VanDerWaalsContact C-N 3.27Å; I221-Y223 PolarHBondContact O-N 2.97Å; Y223-F225 VanDerWaalsContact C-N 3.32Å; Y223-F225 PolarHBondContact O-N 2.58Å; Y223-R226 WeakPolarHBondContact O-CB 3.38Å; Y223-R226 PolarHBondContact O-N 3.37Å; Y223-R226 VanDerWaalsContact O-N 3.09Å; Y223-N227 WeakPolarHBondContact CE1-ND2 3.31Å; Y223-N227 VanDerWaalsContact CZ-ND2 3.27Å; Y223-N227 PolarHBondContact O-N 2.91Å; Y223-N227 PolarHBondContact OH-ND2 3.04Å
224	I	87.8	Confident	90.1	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.021	18%	0.175	C	C	.	.	H	α-helix	trans	-57.4	-45.8	177.5	-67.9	156.6	0	0	0	111.1	M63 Y67 L75 R220 I221 R226 N227 L228	M63-I224 HydrophobicContact CE-CB 4.17Å; M63-I224 HydrophobicContact CE-CD1 3.98Å; M63-I224 HydrophobicContact CE-CG2 3.63Å; Y67-I224 HydrophobicContact CD2-CG2 4.11Å; Y67-I224 HydrophobicContact CE2-CG2 3.82Å; L75-I224 HydrophobicContact CD1-CD1 3.85Å; L75-I224 HydrophobicContact CD2-CD1 4.03Å; L75-I224 HydrophobicContact CG-CD1 4.12Å; R220-I224 HydrophobicContact CG-CD1 4.05Å; R220-I224 WeakPolarHBondContact O-CG1 3.1Å; R220-I224 PolarHBondContact O-N 3.4Å; I221-I224 PolarHBondContact O-N 2.92Å; I224-R226 VanDerWaalsContact C-N 3.31Å; I224-R226 PolarHBondContact O-N 3.38Å; I224-N227 PolarHBondContact O-N 3.49Å; I224-L228 HydrophobicContact CG2-CD1 3.93Å; I224-L228 WeakPolarHBondContact O-CG 3.13Å; I224-L228 PolarHBondContact O-N 2.94Å
225	F	90.3	Very high	89.9	Confident	4 Å²	4	42.1 Å²	42.1	2%	0.018	19%	0.19	C	C	.	.	H	α-helix	trans	-62.8	-36.7	178	-174.7	-104	0	0	0	112.7	Y107 N133 C136 I221 Y223 L228 L229	Y107-F225 VanDerWaalsContact CA-CZ 3.43Å; Y107-F225 AromaticContact CD1-CD1 3.85Å; Y107-F225 HydrophobicContact CD1-CD1 3.85Å; Y107-F225 AromaticContact CD1-CE1 3.82Å; Y107-F225 HydrophobicContact CD1-CE1 3.82Å; Y107-F225 WeakPolarHBondContact O-CE2 3.16Å; N133-F225 WeakPolarHBondContact OD1-CE2 3.39Å; C136-F225 HydrophobicContact CB-CB 4.27Å; C136-F225 HydrophobicContact CB-CD2 3.84Å; C136-F225 HydrophobicContact CB-CG 4.38Å; I221-F225 WeakPolarHBondContact O-CB 3.45Å; I221-F225 PolarHBondContact O-N 2.95Å; Y223-F225 VanDerWaalsContact C-N 3.32Å; Y223-F225 PolarHBondContact O-N 2.58Å; F225-L228 PolarHBondContact O-N 3.42Å; F225-L229 HydrophobicContact CD1-CD1 3.86Å; F225-L229 HydrophobicContact CD1-CG 4.22Å; F225-L229 HydrophobicContact CE1-CD1 3.43Å; F225-L229 VanDerWaalsContact CE1-CD1 3.43Å; F225-L229 HydrophobicContact CE1-CD2 4.27Å; F225-L229 HydrophobicContact CE1-CG 3.81Å; F225-L229 HydrophobicContact CZ-CD1 4.07Å; F225-L229 HydrophobicContact CZ-CD2 4.05Å; F225-L229 HydrophobicContact CZ-CG 3.99Å; F225-L229 WeakPolarHBondContact O-CG 3.42Å; F225-L229 PolarHBondContact O-N 3.37Å
226	R	90.3	Very high	89.7	Confident	112 Å²	112	39.8 Å²	39.8	42%	0.423	18%	0.178	S	C	.	.	H	α-helix	trans	-65	-41.6	173.8	-75.2	174.2	-165.8	175.9	6.2	111.9	K222 Y223 I224 L229 K230	K222-R226 VanDerWaalsContact O-CG 3.27Å; K222-R226 WeakPolarHBondContact O-CG 3.39Å; K222-R226 PolarHBondContact O-N 2.98Å; K222-R226 VanDerWaalsContact O-N 3.08Å; Y223-R226 WeakPolarHBondContact O-CB 3.38Å; Y223-R226 PolarHBondContact O-N 3.37Å; Y223-R226 VanDerWaalsContact O-N 3.09Å; I224-R226 VanDerWaalsContact C-N 3.31Å; I224-R226 PolarHBondContact O-N 3.38Å; R226-L229 WeakPolarHBondContact O-CB 3.11Å; R226-L229 PolarHBondContact O-N 3.45Å; R226-K230 WeakPolarHBondContact O-CB 3.5Å; R226-K230 PolarHBondContact O-N 2.86Å
227	N	89.6	Confident	89.5	Confident	14 Å²	14	39.9 Å²	39.9	8%	0.075	19%	0.185	C	C	.	.	H	α-helix	trans	-64	-46.6	176.6	-71.7	8.5	0	0	0	110.3	L83 Y223 I224 L229 K230 S231	L83-N227 HydrophobicContact CD2-CB 3.94Å; Y223-N227 WeakPolarHBondContact CE1-ND2 3.31Å; Y223-N227 VanDerWaalsContact CZ-ND2 3.27Å; Y223-N227 PolarHBondContact O-N 2.91Å; Y223-N227 PolarHBondContact OH-ND2 3.04Å; I224-N227 PolarHBondContact O-N 3.49Å; N227-L229 VanDerWaalsContact C-N 3.3Å; N227-L229 PolarHBondContact O-N 3Å; N227-K230 PolarHBondContact O-N 3.42Å; N227-K230 VanDerWaalsContact O-N 3.1Å; N227-S231 WeakPolarHBondContact O-CB 3.12Å; N227-S231 PolarHBondContact O-N 3.07Å; N227-S231 PolarHBondContact O-OG 3.31Å
228	L	90.3	Very high	88.9	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-53.7	-46.2	173.4	-77.9	162.9	0	0	0	112.2	L83 M109 F129 I132 I224 F225 T232	L83-L228 HydrophobicContact CD1-CD2 3.76Å; L83-L228 HydrophobicContact CD2-CD2 4.16Å; L83-L228 HydrophobicContact CD2-CG 4.17Å; L83-L228 HydrophobicContact CG-CD2 4.49Å; M109-L228 HydrophobicContact CE-CB 3.63Å; F129-L228 HydrophobicContact CE2-CD2 4.39Å; I132-L228 HydrophobicContact CG2-CD1 3.47Å; I132-L228 VanDerWaalsContact CG2-CD1 3.47Å; I224-L228 HydrophobicContact CG2-CD1 3.93Å; I224-L228 WeakPolarHBondContact O-CG 3.13Å; I224-L228 PolarHBondContact O-N 2.94Å; F225-L228 PolarHBondContact O-N 3.42Å; L228-T232 WeakPolarHBondContact O-CB 3.43Å; L228-T232 PolarHBondContact O-N 2.98Å; L228-T232 PolarHBondContact O-OG1 3.29Å
229	L	90.4	Very high	87.5	Confident	39 Å²	39	47 Å²	47	20%	0.204	23%	0.233	C	C	.	.	H	α-helix	trans	-61.1	-46	176.6	-77.8	177.5	0	0	0	112.6	R103 M109 F225 R226 N227 T232 A233	R103-L229 VanDerWaalsContact NH1-CD2 3.26Å; M109-L229 HydrophobicContact CE-CD2 4.24Å; M109-L229 HydrophobicContact SD-CD2 3.76Å; F225-L229 HydrophobicContact CD1-CD1 3.86Å; F225-L229 HydrophobicContact CD1-CG 4.22Å; F225-L229 HydrophobicContact CE1-CD1 3.43Å; F225-L229 VanDerWaalsContact CE1-CD1 3.43Å; F225-L229 HydrophobicContact CE1-CD2 4.27Å; F225-L229 HydrophobicContact CE1-CG 3.81Å; F225-L229 HydrophobicContact CZ-CD1 4.07Å; F225-L229 HydrophobicContact CZ-CD2 4.05Å; F225-L229 HydrophobicContact CZ-CG 3.99Å; F225-L229 WeakPolarHBondContact O-CG 3.42Å; F225-L229 PolarHBondContact O-N 3.37Å; R226-L229 WeakPolarHBondContact O-CB 3.11Å; R226-L229 PolarHBondContact O-N 3.45Å; N227-L229 VanDerWaalsContact C-N 3.3Å; N227-L229 PolarHBondContact O-N 3Å; L229-T232 PolarHBondContact O-N 3.38Å; L229-A233 WeakPolarHBondContact O-CB 3.39Å; L229-A233 PolarHBondContact O-N 2.81Å
230	K	91	Very high	85.9	Confident	101 Å²	101	48.6 Å²	48.6	44%	0.439	25%	0.25	S	C	.	.	H	α-helix	trans	-63	-54	179.7	-178.9	-172.6	168.7	-158.2	0	110.4	E80 R226 N227 T232 A233 D234	E80-K230 IonicContact OE1-NZ 3.64Å; E80-K230 PolarHBondContact OE1-NZ 3.09Å; R226-K230 WeakPolarHBondContact O-CB 3.5Å; R226-K230 PolarHBondContact O-N 2.86Å; N227-K230 PolarHBondContact O-N 3.42Å; N227-K230 VanDerWaalsContact O-N 3.1Å; K230-T232 VanDerWaalsContact C-N 3.28Å; K230-T232 PolarHBondContact O-N 2.81Å; K230-A233 WeakPolarHBondContact O-CB 3.28Å; K230-A233 PolarHBondContact O-N 2.92Å; K230-D234 WeakPolarHBondContact CG-OD2 3.24Å; K230-D234 WeakPolarHBondContact O-CB 3.3Å; K230-D234 VanDerWaalsContact O-CG 3.28Å; K230-D234 PolarHBondContact O-N 3.16Å
231	S	90.2	Very high	83.7	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-59	-39.1	178.1	-51	0	0	0	0	112.1	N84 N227 D234 Y235	N84-S231 VanDerWaalsContact OD1-CB 3.24Å; N84-S231 WeakPolarHBondContact OD1-CB 3.33Å; N84-S231 PolarHBondContact OD1-OG 3.14Å; N227-S231 WeakPolarHBondContact O-CB 3.12Å; N227-S231 PolarHBondContact O-N 3.07Å; N227-S231 PolarHBondContact O-OG 3.31Å; S231-D234 PolarHBondContact O-N 3.41Å; S231-Y235 WeakPolarHBondContact O-CB 3.48Å; S231-Y235 WeakPolarHBondContact O-CD2 3.34Å; S231-Y235 PolarHBondContact O-N 3.31Å
232	T	91.1	Very high	83.3	Confident	3 Å²	3	57.2 Å²	57.2	2%	0.018	32%	0.316	C	S	.	.	I	π-helix	trans	-63.7	-43.6	175.2	-60.9	0	0	0	0	111.3	L101 M109 F129 L228 L229 K230 L236 I237	L101-T232 HydrophobicContact CD1-CG2 4.41Å; L101-T232 HydrophobicContact CD2-CG2 3.59Å; M109-T232 HydrophobicContact SD-CG2 4.24Å; F129-T232 HydrophobicContact CZ-CG2 4.44Å; L228-T232 WeakPolarHBondContact O-CB 3.43Å; L228-T232 PolarHBondContact O-N 2.98Å; L228-T232 PolarHBondContact O-OG1 3.29Å; L229-T232 PolarHBondContact O-N 3.38Å; K230-T232 VanDerWaalsContact C-N 3.28Å; K230-T232 PolarHBondContact O-N 2.81Å; T232-L236 HydrophobicContact CG2-CB 4.12Å; T232-L236 HydrophobicContact CG2-CD2 3.9Å; T232-L236 WeakPolarHBondContact O-CA 3.33Å; T232-L236 VanDerWaalsContact O-CB 3.25Å; T232-L236 WeakPolarHBondContact O-CB 3.47Å; T232-L236 PolarHBondContact O-N 2.84Å; T232-I237 HydrophobicContact CG2-CD1 4.41Å; T232-I237 HydrophobicContact CG2-CG1 4.48Å; T232-I237 PolarHBondContact O-N 2.98Å
233	A	89.4	Confident	82.9	Confident	44 Å²	44	58.8 Å²	58.8	36%	0.364	33%	0.327	S	S	.	.	I	π-helix	trans	-64	-49.8	175.7	0	0	0	0	0	111.2	L229 K230 S238	L229-A233 WeakPolarHBondContact O-CB 3.39Å; L229-A233 PolarHBondContact O-N 2.81Å; K230-A233 WeakPolarHBondContact O-CB 3.28Å; K230-A233 PolarHBondContact O-N 2.92Å; A233-S238 PolarHBondContact O-N 2.7Å; A233-S238 PolarHBondContact O-OG 2.95Å
234	D	90	Very high	82.6	Confident	76 Å²	76	56.9 Å²	56.9	41%	0.406	33%	0.325	S	S	.	.	I	π-helix	trans	-68.7	-42.5	-172.3	-68.2	-11.8	0	0	0	112.3	K230 S231 S238	K230-D234 WeakPolarHBondContact CG-OD2 3.24Å; K230-D234 WeakPolarHBondContact O-CB 3.3Å; K230-D234 VanDerWaalsContact O-CG 3.28Å; K230-D234 PolarHBondContact O-N 3.16Å; S231-D234 PolarHBondContact O-N 3.41Å; D234-S238 WeakPolarHBondContact O-CB 3.48Å; D234-S238 PolarHBondContact O-OG 2.64Å
235	Y	89.8	Confident	82.3	Confident	82 Å²	82	60.1 Å²	60.1	32%	0.322	34%	0.343	S	S	.	.	I	π-helix	trans	-107.6	-43.8	-171.9	-60.3	-78.1	0	0	0	112.9	N84 Y88 K91 S231	N84-Y235 HydrophobicContact CB-CD2 4.06Å; N84-Y235 HydrophobicContact CB-CE2 3.51Å; N84-Y235 WeakPolarHBondContact OD1-CE2 3.34Å; Y88-Y235 HydrophobicContact CD2-CD1 4.14Å; K91-Y235 WeakPolarHBondContact CD-O 3.26Å; K91-Y235 PolarHBondContact NZ-O 3.02Å; S231-Y235 WeakPolarHBondContact O-CB 3.48Å; S231-Y235 WeakPolarHBondContact O-CD2 3.34Å; S231-Y235 PolarHBondContact O-N 3.31Å
236	L	87.5	Confident	81.8	Confident	3 Å²	3	63.6 Å²	63.6	2%	0.016	36%	0.363	C	S	.	.	I	π-helix	trans	-78.9	-42.4	-173.7	-174	63.9	0	0	0	112.9	I87 K91 L94 W99 I111 T232	I87-L236 HydrophobicContact CG2-CB 3.93Å; K91-L236 HydrophobicContact CB-CD1 3.74Å; K91-L236 HydrophobicContact CG-CD1 4.3Å; L94-L236 HydrophobicContact CD1-CD1 3.69Å; W99-L236 HydrophobicContact CH2-CD1 3.77Å; W99-L236 HydrophobicContact CH2-CD2 4.14Å; W99-L236 HydrophobicContact CH2-CG 3.64Å; W99-L236 HydrophobicContact CZ2-CD1 4.05Å; W99-L236 HydrophobicContact CZ2-CG 4.38Å; W99-L236 HydrophobicContact CZ3-CD1 4.29Å; W99-L236 HydrophobicContact CZ3-CD2 4.02Å; W99-L236 HydrophobicContact CZ3-CG 4.04Å; I111-L236 HydrophobicContact CD1-CD2 3.65Å; I111-L236 HydrophobicContact CG1-CD2 4.2Å; T232-L236 HydrophobicContact CG2-CB 4.12Å; T232-L236 HydrophobicContact CG2-CD2 3.9Å; T232-L236 WeakPolarHBondContact O-CA 3.33Å; T232-L236 VanDerWaalsContact O-CB 3.25Å; T232-L236 WeakPolarHBondContact O-CB 3.47Å; T232-L236 PolarHBondContact O-N 2.84Å
237	I	85	Confident	81.2	Confident	105 Å²	105	60.3 Å²	60.3	54%	0.538	36%	0.359	S	S	.	.	I	π-helix	trans	-92.3	-36.6	-175.8	-55.8	172.4	0	0	0	112.2	L101 T232	L101-I237 HydrophobicContact CD2-CD1 3.62Å; L101-I237 HydrophobicContact CD2-CG1 4.06Å; T232-I237 HydrophobicContact CG2-CD1 4.41Å; T232-I237 HydrophobicContact CG2-CG1 4.48Å; T232-I237 PolarHBondContact O-N 2.98Å
238	S	75.4	Confident	80.6	Confident	46 Å²	46	63.6 Å²	63.6	32%	0.322	38%	0.38	S	S	.	.	S	Bend	trans	-53.6	137.7	-178	-64	0	0	0	0	111.2	K91 A233 D234 S240	K91-S238 PolarHBondContact NZ-O 2.96Å; A233-S238 PolarHBondContact O-N 2.7Å; A233-S238 PolarHBondContact O-OG 2.95Å; D234-S238 WeakPolarHBondContact O-CB 3.48Å; D234-S238 PolarHBondContact O-OG 2.64Å; S238-S240 PolarHBondContact O-N 3.23Å
239	P	61.2	Low	79.9	Confident	115 Å²	115	68.5 Å²	68.5	75%	0.747	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-53	138.6	170.8	-20.2	30.3	0	0	0	109.8	S241	P239-S241 PolarHBondContact O-N 2.68Å; P239-S241 VanDerWaalsContact O-N 3.13Å
240	S	58.2	Low	79	Confident	82 Å²	82	71 Å²	71	57%	0.573	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-53	120.9	166.7	-41.1	0	0	0	0	107.4	S238	S238-S240 PolarHBondContact O-N 3.23Å
241	S	39.4	Very low	77.9	Confident	195 Å²	195	68.3 Å²	68.3	100%	1.364	43%	0.425	S	S	*	.			trans	-66.9	0	172.4	-51.5	0	0	0	0	110.4	P239	P239-S241 PolarHBondContact O-N 2.68Å; P239-S241 VanDerWaalsContact O-N 3.13Å

Retrieved 241 of 241 residues in 543.2 ms (Link to these results)

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