A0A5K4FCU0_SCHMA Loading...

4-hydroxybenzoate polyprenyltransferase

AlphaFold DB , UniProt , Accession A0A5K4FCU0, 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	40.8	Very low	36.7	Very low	244 Å²	244	163.3 Å²	163.3	100%	1.202	83%	0.828	S	S	*	*				0	110	0	-68.9	172.8	-177.4	0	0	107.1
2	L	39.4	Very low	37	Very low	180 Å²	180	170.3 Å²	170.3	94%	0.942	84%	0.837	S	S	*	*			cis	-141.8	110.9	8.6	-83.5	146.7	0	0	0	106.4
3	R	30.5	Very low	37.1	Very low	249 Å²	249	165.5 Å²	165.5	94%	0.94	83%	0.829	S	S	*	*			trans	-100.1	123.5	156.4	-82.4	-177.6	174.6	-155.2	-0.5	105.2
4	S	36	Very low	37.3	Very low	98 Å²	98	160.3 Å²	160.3	69%	0.685	81%	0.81	S	S	*	*			trans	145.8	89.1	155.8	-179.4	0	0	0	0	111.4
5	F	39.4	Very low	37.3	Very low	225 Å²	225	163.4 Å²	163.4	99%	0.987	81%	0.808	S	S	*	*			trans	-140.8	70.5	150.5	-98.3	-82.5	0	0	0	107.9
6	S	33.5	Very low	37.3	Very low	90 Å²	90	164.6 Å²	164.6	63%	0.629	81%	0.808	S	S	*	*			trans	-123.3	130.2	161.9	61.3	0	0	0	0	106.5
7	R	32.9	Very low	37.3	Very low	238 Å²	238	164.4 Å²	164.4	90%	0.898	81%	0.81	S	S	*	*			trans	104.7	85.3	175.3	-59.1	172	-173.8	-153.2	1.4	115.6
8	F	37.6	Very low	37.2	Very low	211 Å²	211	166.7 Å²	166.7	93%	0.925	81%	0.81	S	S	*	*			trans	-146.5	118.3	139.5	-106.9	-90.5	0	0	0	104.2
9	G	32.8	Very low	37.3	Very low	71 Å²	71	163.5 Å²	163.5	73%	0.732	80%	0.802	S	S	*	*			cis	98.8	52.9	20.8	0	0	0	0	0	111.3
10	S	40.9	Very low	37.4	Very low	95 Å²	95	160.9 Å²	160.9	66%	0.664	80%	0.8	S	S	*	*			trans	-174.7	130.6	175	149	0	0	0	0	106.1
11	D	40.2	Very low	37.4	Very low	95 Å²	95	158.9 Å²	158.9	51%	0.508	80%	0.8	S	S	.	*			cis	-153.7	133.1	4.2	-86.7	-43	0	0	0	108.5	T14	D11-T14 HydrophobicContact CB-CG2 4.29Å; D11-T14 WeakPolarHBondContact CB-OG1 3.48Å; D11-T14 PolarHBondContact O-OG1 3.41Å
12	R	40.4	Very low	37.5	Very low	248 Å²	248	157 Å²	157	94%	0.936	78%	0.781	S	S	*	*	S	Bend	trans	-79.7	-5.4	166.3	-118.8	179.5	-78.3	-147.1	0.1	111.9
13	C	38.1	Very low	37.8	Very low	108 Å²	108	153.6 Å²	153.6	73%	0.73	77%	0.768	S	S	*	*	S	Bend	trans	-94.4	-19.8	179.2	-90.2	0	0	0	0	115.1	R15	C13-R15 PolarHBondContact O-N 3.15Å
14	T	39.6	Very low	38.5	Very low	92 Å²	92	149.1 Å²	149.1	56%	0.564	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-5	178	35.3	0	0	0	0	113.8	D11	D11-T14 HydrophobicContact CB-CG2 4.29Å; D11-T14 WeakPolarHBondContact CB-OG1 3.48Å; D11-T14 PolarHBondContact O-OG1 3.41Å
15	R	37.4	Very low	39.3	Very low	207 Å²	207	149.3 Å²	149.3	78%	0.781	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	-7.1	-178.6	-151	173.3	-75.4	-164.5	-2.9	114.1	C13 T19	C13-R15 PolarHBondContact O-N 3.15Å; R15-T19 PolarHBondContact O-OG1 3.35Å
16	F	38.1	Very low	39.6	Very low	183 Å²	183	143.8 Å²	143.8	80%	0.803	75%	0.746	S	S	*	*	S	Bend	trans	-99.3	-9.3	-176.8	-120.6	-90.2	0	0	0	115
17	L	35.9	Very low	40.8	Very low	161 Å²	161	149.1 Å²	149.1	84%	0.843	76%	0.758	S	S	*	*	S	Bend	trans	-107.3	-1.6	179.6	-69.3	172.7	0	0	0	114.1
18	Y	35.6	Very low	42.3	Very low	205 Å²	205	145.1 Å²	145.1	80%	0.804	75%	0.753	S	S	*	*	S	Bend	trans	-96.3	3.5	175.3	-99.2	-84.9	0	0	0	114.2
19	T	39.6	Very low	43.6	Very low	107 Å²	107	143 Å²	143	66%	0.656	75%	0.746	S	S	*	*	S	Bend	trans	-108.3	11	-169.7	-25.7	0	0	0	0	114	R15	R15-T19 PolarHBondContact O-OG1 3.35Å
20	S	38.7	Very low	45.3	Very low	111 Å²	111	142.8 Å²	142.8	78%	0.776	73%	0.731	S	S	*	*	S	Bend	trans	-128.9	60.7	-175	-165	0	0	0	0	112.5
21	C	39.1	Very low	47.2	Very low	118 Å²	118	141.3 Å²	141.3	80%	0.797	72%	0.722	S	S	*	*			trans	172.8	54	152.2	-97.8	0	0	0	0	109.4	V23	C21-V23 PolarHBondContact O-N 3.2Å
22	Y	41.7	Very low	49.1	Very low	206 Å²	206	145.5 Å²	145.5	81%	0.808	74%	0.735	S	S	*	*			trans	-71.5	86.2	157.8	-99.9	-92.3	0	0	0	106.8	N24	Y22-N24 PolarHBondContact O-N 2.93Å
23	V	46	Very low	50.9	Low	108 Å²	108	137.8 Å²	137.8	66%	0.655	72%	0.719	S	S	*	*			trans	-57.6	112	159.2	-178.6	0	0	0	0	105.1	C21 T25	C21-V23 PolarHBondContact O-N 3.2Å; V23-T25 HydrophobicContact CG1-CG2 3.91Å; V23-T25 PolarHBondContact O-N 2.84Å
24	N	45.4	Very low	53.2	Low	155 Å²	155	134.8 Å²	134.8	83%	0.829	70%	0.699	S	S	*	*			trans	-63.6	73.3	165.1	-90.7	-49.2	0	0	0	107.7	Y22 P26	Y22-N24 PolarHBondContact O-N 2.93Å; N24-P26 WeakPolarHBondContact O-CD 3.46Å
25	T	51.7	Low	55.6	Low	102 Å²	102	134.9 Å²	134.9	63%	0.626	69%	0.694	S	S	*	*			trans	-67.7	122.5	159.1	44.4	0	0	0	0	105.4	V23 K27	V23-T25 HydrophobicContact CG1-CG2 3.91Å; V23-T25 PolarHBondContact O-N 2.84Å; T25-K27 PolarHBondContact O-N 2.9Å
26	P	46.7	Very low	58.1	Low	109 Å²	109	128.2 Å²	128.2	71%	0.708	67%	0.673	S	S	*	*			trans	-53.5	123.8	168.6	21.9	-29.9	0	0	0	106.2	N24 I28	N24-P26 WeakPolarHBondContact O-CD 3.46Å; P26-I28 PolarHBondContact O-N 3.31Å
27	K	59	Low	60.8	Low	202 Å²	202	124 Å²	124	88%	0.878	66%	0.658	S	S	*	*			trans	-59.2	97.8	171.1	-79.1	-175.9	179.5	177.6	0	106.1	T25 Q29	T25-K27 PolarHBondContact O-N 2.9Å; K27-Q29 PolarHBondContact O-N 3.49Å
28	I	63.2	Low	63.5	Low	153 Å²	153	120 Å²	120	79%	0.785	64%	0.638	S	S	*	*			trans	-59.8	106.3	173.8	-62	173.9	0	0	0	104.8	P26	P26-I28 PolarHBondContact O-N 3.31Å
29	Q	66.6	Low	66.3	Low	166 Å²	166	111 Å²	111	78%	0.776	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-62	127.8	174.8	-71.1	-163	-6.9	0	0	107	K27 S31	K27-Q29 PolarHBondContact O-N 3.49Å; Q29-S31 PolarHBondContact O-N 2.87Å
30	P	68.4	Low	69	Low	67 Å²	67	108.1 Å²	108.1	44%	0.435	58%	0.582	S	S	.	*	P	Polyproline II helix	trans	-58.6	132.4	-179.4	22.4	-30.5	0	0	0	108.2	Q35	P30-Q35 HydrophobicContact CB-CG 4.09Å; P30-Q35 HydrophobicContact CG-CG 3.94Å; P30-Q35 PolarHBondContact O-NE2 3.46Å; P30-Q35 VanDerWaalsContact O-NE2 3.16Å
31	S	79.3	Confident	71.7	Confident	65 Å²	65	107.6 Å²	107.6	46%	0.455	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-54.7	152.6	176.9	64.8	0	0	0	0	110.1	Q29 S33 S34 Q35	Q29-S31 PolarHBondContact O-N 2.87Å; S31-S33 PolarHBondContact O-N 3.32Å; S31-S33 VanDerWaalsContact O-N 3.13Å; S31-S33 PolarHBondContact OG-OG 3.03Å; S31-S34 WeakPolarHBondContact O-CA 3.49Å; S31-S34 WeakPolarHBondContact O-CB 3.34Å; S31-S34 PolarHBondContact O-N 3.05Å; S31-S34 WeakPolarHBondContact OG-CB 3.25Å; S31-S34 PolarHBondContact OG-N 3.26Å; S31-S34 VanDerWaalsContact OG-N 3.15Å; S31-Q35 PolarHBondContact O-N 2.86Å
32	K	80.5	Confident	74.4	Confident	182 Å²	182	107.5 Å²	107.5	79%	0.791	55%	0.554	S	S	*	*	H	α-helix	trans	-53.8	-35.8	176.5	-172.4	177.8	-180	179.7	0	112.1	Q35 L36	K32-Q35 PolarHBondContact O-N 3.09Å; K32-L36 PolarHBondContact O-N 3.16Å
33	S	78.7	Confident	76.9	Confident	87 Å²	87	97.7 Å²	97.7	61%	0.608	52%	0.515	S	S	*	.	H	α-helix	trans	-66.1	-41.1	174.6	54	0	0	0	0	112.7	S31 L36 L37	S31-S33 PolarHBondContact O-N 3.32Å; S31-S33 VanDerWaalsContact O-N 3.13Å; S31-S33 PolarHBondContact OG-OG 3.03Å; S33-L36 PolarHBondContact O-N 2.96Å; S33-L37 WeakPolarHBondContact O-CB 3.33Å; S33-L37 PolarHBondContact O-N 3.11Å
34	S	87	Confident	79.3	Confident	44 Å²	44	92.7 Å²	92.7	31%	0.308	49%	0.485	S	S	.	.	H	α-helix	trans	-63.9	-41.2	174.7	176.7	0	0	0	0	111.8	S31 L37 N38	S31-S34 WeakPolarHBondContact O-CA 3.49Å; S31-S34 WeakPolarHBondContact O-CB 3.34Å; S31-S34 PolarHBondContact O-N 3.05Å; S31-S34 WeakPolarHBondContact OG-CB 3.25Å; S31-S34 PolarHBondContact OG-N 3.26Å; S31-S34 VanDerWaalsContact OG-N 3.15Å; S34-L37 PolarHBondContact O-N 3.09Å; S34-N38 WeakPolarHBondContact O-CB 3.48Å; S34-N38 PolarHBondContact O-N 2.9Å; S34-N38 PolarHBondContact O-ND2 3.48Å
35	Q	88.6	Confident	81.7	Confident	95 Å²	95	87.1 Å²	87.1	44%	0.444	45%	0.453	S	S	.	.	H	α-helix	trans	-64	-41.8	176.5	-65.7	177.7	2.7	0	0	112.5	P30 S31 K32 N38 S39	P30-Q35 HydrophobicContact CB-CG 4.09Å; P30-Q35 HydrophobicContact CG-CG 3.94Å; P30-Q35 PolarHBondContact O-NE2 3.46Å; P30-Q35 VanDerWaalsContact O-NE2 3.16Å; S31-Q35 PolarHBondContact O-N 2.86Å; K32-Q35 PolarHBondContact O-N 3.09Å; Q35-N38 PolarHBondContact O-N 3.05Å; Q35-S39 PolarHBondContact O-N 3.23Å; Q35-S39 PolarHBondContact O-OG 2.96Å
36	L	91.3	Very high	83.6	Confident	66 Å²	66	85.6 Å²	85.6	35%	0.346	44%	0.438	S	S	.	.	H	α-helix	trans	-64.9	-44.6	177	-174.7	68.8	0	0	0	111.1	K32 S33 S39 Y40 L120	K32-L36 PolarHBondContact O-N 3.16Å; S33-L36 PolarHBondContact O-N 2.96Å; L36-S39 WeakPolarHBondContact O-CB 3.35Å; L36-S39 PolarHBondContact O-N 3.36Å; L36-Y40 HydrophobicContact CD1-CE2 4.02Å; L36-Y40 HydrophobicContact CD2-CE2 4.25Å; L36-Y40 HydrophobicContact CG-CD2 4.25Å; L36-Y40 HydrophobicContact CG-CE2 3.78Å; L36-Y40 VanDerWaalsContact O-CD2 3.23Å; L36-Y40 WeakPolarHBondContact O-CD2 3.43Å; L36-Y40 PolarHBondContact O-N 3.35Å; L36-Y40 VanDerWaalsContact O-N 3.15Å; L36-L120 HydrophobicContact CD1-CD2 3.53Å
37	L	93.1	Very high	85.7	Confident	95 Å²	95	84.6 Å²	84.6	50%	0.497	44%	0.439	S	S	.	.	H	α-helix	trans	-59.5	-48.1	175.9	-173	64.3	0	0	0	110.9	S33 S34 S39 Y40 F41	S33-L37 WeakPolarHBondContact O-CB 3.33Å; S33-L37 PolarHBondContact O-N 3.11Å; S34-L37 PolarHBondContact O-N 3.09Å; L37-S39 PolarHBondContact O-N 2.91Å; L37-Y40 PolarHBondContact O-N 3.01Å; L37-F41 HydrophobicContact CD1-CD2 4.07Å; L37-F41 HydrophobicContact CD1-CE2 3.74Å; L37-F41 HydrophobicContact CD2-CE2 4.35Å; L37-F41 HydrophobicContact CG-CD2 3.96Å; L37-F41 HydrophobicContact CG-CE2 3.82Å; L37-F41 WeakPolarHBondContact O-CD2 3.08Å; L37-F41 PolarHBondContact O-N 3.31Å
38	N	93.1	Very high	87.1	Confident	78 Å²	78	84 Å²	84	42%	0.417	43%	0.431	S	S	.	.	H	α-helix	trans	-56.9	-39.7	176.1	-70.4	-18.2	0	0	0	111.8	S34 Q35 Y40 F41 E42	S34-N38 WeakPolarHBondContact O-CB 3.48Å; S34-N38 PolarHBondContact O-N 2.9Å; S34-N38 PolarHBondContact O-ND2 3.48Å; Q35-N38 PolarHBondContact O-N 3.05Å; N38-Y40 VanDerWaalsContact C-N 3.34Å; N38-Y40 PolarHBondContact O-N 2.91Å; N38-F41 PolarHBondContact O-N 3.31Å; N38-F41 VanDerWaalsContact O-N 3.16Å; N38-E42 WeakPolarHBondContact O-CB 3.49Å; N38-E42 WeakPolarHBondContact O-CG 3.37Å; N38-E42 PolarHBondContact O-N 3.09Å
39	S	95	Very high	88.5	Confident	14 Å²	14	79.8 Å²	79.8	10%	0.098	41%	0.413	C	S	.	.	H	α-helix	trans	-62.2	-38.6	176.5	-61.3	0	0	0	0	112.5	Q35 L36 L37 L43 P114 S119	Q35-S39 PolarHBondContact O-N 3.23Å; Q35-S39 PolarHBondContact O-OG 2.96Å; L36-S39 WeakPolarHBondContact O-CB 3.35Å; L36-S39 PolarHBondContact O-N 3.36Å; L37-S39 PolarHBondContact O-N 2.91Å; S39-L43 VanDerWaalsContact O-CB 3.3Å; S39-L43 WeakPolarHBondContact O-CB 3.23Å; S39-L43 PolarHBondContact O-N 2.91Å; S39-P114 VanDerWaalsContact O-CG 3.24Å; S39-P114 WeakPolarHBondContact O-CG 3.46Å; S39-S119 PolarHBondContact OG-OG 3.36Å; S39-S119 VanDerWaalsContact OG-OG 3.04Å
40	Y	96.3	Very high	89.7	Confident	48 Å²	48	76.5 Å²	76.5	19%	0.188	41%	0.405	C	S	.	.	H	α-helix	trans	-68.5	-38.9	173	-72.8	-67.6	0	0	0	112.5	L36 L37 N38 E42 L43 G44 L120 Q124 F128	L36-Y40 HydrophobicContact CD1-CE2 4.02Å; L36-Y40 HydrophobicContact CD2-CE2 4.25Å; L36-Y40 HydrophobicContact CG-CD2 4.25Å; L36-Y40 HydrophobicContact CG-CE2 3.78Å; L36-Y40 VanDerWaalsContact O-CD2 3.23Å; L36-Y40 WeakPolarHBondContact O-CD2 3.43Å; L36-Y40 PolarHBondContact O-N 3.35Å; L36-Y40 VanDerWaalsContact O-N 3.15Å; L37-Y40 PolarHBondContact O-N 3.01Å; N38-Y40 VanDerWaalsContact C-N 3.34Å; N38-Y40 PolarHBondContact O-N 2.91Å; Y40-E42 VanDerWaalsContact C-N 3.32Å; Y40-E42 PolarHBondContact O-N 3.47Å; Y40-L43 PolarHBondContact O-N 2.88Å; Y40-G44 PolarHBondContact O-N 2.79Å; Y40-L120 HydrophobicContact CD1-CD1 3.84Å; Y40-L120 HydrophobicContact CD1-CD2 4.36Å; Y40-L120 HydrophobicContact CD2-CD2 4.42Å; Y40-L120 HydrophobicContact CE1-CD1 3.98Å; Y40-L120 HydrophobicContact CE1-CD2 3.9Å; Y40-L120 HydrophobicContact CE2-CD2 3.99Å; Y40-L120 HydrophobicContact CG-CD1 4.32Å; Y40-Q124 WeakPolarHBondContact OH-CB 3.46Å; Y40-F128 HydrophobicContact CD1-CB 3.99Å; Y40-F128 HydrophobicContact CD1-CD1 4.07Å; Y40-F128 AromaticContact CD1-CD2 3.79Å; Y40-F128 HydrophobicContact CD1-CD2 3.79Å; Y40-F128 HydrophobicContact CD1-CE1 4.39Å; Y40-F128 HydrophobicContact CD1-CE2 4.18Å; Y40-F128 AromaticContact CD1-CG 3.71Å; Y40-F128 HydrophobicContact CD1-CG 3.71Å; Y40-F128 HydrophobicContact CD1-CZ 4.45Å; Y40-F128 HydrophobicContact CE1-CB 3.86Å; Y40-F128 HydrophobicContact CE1-CD2 4.36Å; Y40-F128 HydrophobicContact CE1-CG 4.12Å; Y40-F128 HydrophobicContact CG-CD2 4.5Å; Y40-F128 WeakPolarHBondContact O-CZ 3.28Å
41	F	94.9	Very high	90.9	Very high	100 Å²	100	74 Å²	74	44%	0.439	39%	0.391	S	S	.	.	H	α-helix	trans	-63.8	-38.8	176	-89.5	-104.5	0	0	0	112.6	L37 N38 R45 F46	L37-F41 HydrophobicContact CD1-CD2 4.07Å; L37-F41 HydrophobicContact CD1-CE2 3.74Å; L37-F41 HydrophobicContact CD2-CE2 4.35Å; L37-F41 HydrophobicContact CG-CD2 3.96Å; L37-F41 HydrophobicContact CG-CE2 3.82Å; L37-F41 WeakPolarHBondContact O-CD2 3.08Å; L37-F41 PolarHBondContact O-N 3.31Å; N38-F41 PolarHBondContact O-N 3.31Å; N38-F41 VanDerWaalsContact O-N 3.16Å; F41-R45 PolarHBondContact O-N 2.92Å; F41-F46 HydrophobicContact CB-CD2 4.48Å; F41-F46 HydrophobicContact CD1-CB 3.88Å; F41-F46 AromaticContact CD1-CD2 3.92Å; F41-F46 HydrophobicContact CD1-CD2 3.92Å; F41-F46 HydrophobicContact CD1-CG 4.37Å; F41-F46 HydrophobicContact CE1-CB 4.4Å; F41-F46 HydrophobicContact CE1-CD2 4.34Å; F41-F46 HydrophobicContact CG-CD2 4.16Å; F41-F46 PolarHBondContact O-N 3.46Å; F41-F46 VanDerWaalsContact O-N 3.09Å
42	E	95	Very high	91.7	Very high	115 Å²	115	72 Å²	72	54%	0.537	38%	0.376	S	S	.	.	H	α-helix	trans	-69.7	-42.3	174.6	-74.5	-176.8	179.8	0	0	112.1	N38 Y40 G44 R45 P114	N38-E42 WeakPolarHBondContact O-CB 3.49Å; N38-E42 WeakPolarHBondContact O-CG 3.37Å; N38-E42 PolarHBondContact O-N 3.09Å; Y40-E42 VanDerWaalsContact C-N 3.32Å; Y40-E42 PolarHBondContact O-N 3.47Å; E42-G44 VanDerWaalsContact C-N 3.34Å; E42-G44 PolarHBondContact O-N 3.24Å; E42-R45 PolarHBondContact O-N 2.87Å; E42-R45 VanDerWaalsContact O-N 3.08Å; E42-P114 HydrophobicContact CB-CG 3.86Å
43	L	96.1	Very high	92.5	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-59	-47.9	176.6	-178.3	60.2	0	0	0	110.6	S39 Y40 R45 T94 D97 P114 L115 L120 A125 F128	S39-L43 VanDerWaalsContact O-CB 3.3Å; S39-L43 WeakPolarHBondContact O-CB 3.23Å; S39-L43 PolarHBondContact O-N 2.91Å; Y40-L43 PolarHBondContact O-N 2.88Å; L43-R45 PolarHBondContact O-N 3.02Å; L43-R45 PolarHBondContact O-NH1 2.98Å; L43-T94 HydrophobicContact CD2-CG2 4.08Å; L43-T94 HydrophobicContact CG-CG2 4.32Å; L43-D97 HydrophobicContact CD1-CB 4Å; L43-P114 HydrophobicContact CB-CB 4.48Å; L43-P114 HydrophobicContact CB-CG 4.21Å; L43-L115 HydrophobicContact CD1-CD1 4.04Å; L43-L115 HydrophobicContact CD1-CG 4.35Å; L43-L120 HydrophobicContact CB-CD1 4.23Å; L43-L120 HydrophobicContact CD2-CD1 3.69Å; L43-A125 HydrophobicContact CD2-CB 3.96Å; L43-F128 HydrophobicContact CB-CE1 4.27Å; L43-F128 HydrophobicContact CD2-CD1 3.7Å; L43-F128 HydrophobicContact CD2-CE1 4.11Å; L43-F128 HydrophobicContact CG-CD1 4.19Å; L43-F128 HydrophobicContact CG-CE1 4.15Å
44	G	95.1	Very high	93.3	Very high	3 Å²	3	67.4 Å²	67.4	3%	0.031	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-10.8	176.1	0	0	0	0	0	115.1	Y40 E42 F46 S90	Y40-G44 PolarHBondContact O-N 2.79Å; E42-G44 VanDerWaalsContact C-N 3.34Å; E42-G44 PolarHBondContact O-N 3.24Å; G44-F46 PolarHBondContact O-N 3.13Å; G44-S90 WeakPolarHBondContact CA-OG 3.39Å; G44-S90 WeakPolarHBondContact O-CA 3.48Å; G44-S90 PolarHBondContact O-OG 3.24Å
45	R	95.2	Very high	93.8	Very high	39 Å²	39	66.6 Å²	66.6	15%	0.147	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	33.5	-175.7	-65.1	145.9	175.8	78.8	-2.9	113.8	F41 E42 L43 A47 R48 C93 D97	F41-R45 PolarHBondContact O-N 2.92Å; E42-R45 PolarHBondContact O-N 2.87Å; E42-R45 VanDerWaalsContact O-N 3.08Å; L43-R45 PolarHBondContact O-N 3.02Å; L43-R45 PolarHBondContact O-NH1 2.98Å; R45-A47 PolarHBondContact O-N 2.82Å; R45-R48 CarbonylContact O-C 3.56Å; R45-R48 PolarHBondContact O-N 3.27Å; R45-C93 WeakPolarHBondContact CD-SG 3.24Å; R45-C93 PolarHBondContact NH1-O 2.85Å; R45-D97 IonicContact CZ-OD1 3.49Å; R45-D97 IonicContact CZ-OD2 3.39Å; R45-D97 IonicContact NH1-OD1 3.46Å; R45-D97 PolarHBondContact NH1-OD1 3.23Å; R45-D97 IonicContact NH1-OD2 2.82Å; R45-D97 PolarHBondContact NH1-OD2 2.88Å; R45-D97 IonicContact NH2-OD1 2.63Å; R45-D97 PolarHBondContact NH2-OD1 2.91Å; R45-D97 IonicContact NH2-OD2 3.02Å; R45-D97 PolarHBondContact NH2-OD2 3.45Å
46	F	93.5	Very high	94.2	Very high	70 Å²	70	64 Å²	64	31%	0.307	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-29.8	-179.7	-63.4	-54.3	0	0	0	113.1	F41 G44 R48 I86 S90 F128	F41-F46 HydrophobicContact CB-CD2 4.48Å; F41-F46 HydrophobicContact CD1-CB 3.88Å; F41-F46 AromaticContact CD1-CD2 3.92Å; F41-F46 HydrophobicContact CD1-CD2 3.92Å; F41-F46 HydrophobicContact CD1-CG 4.37Å; F41-F46 HydrophobicContact CE1-CB 4.4Å; F41-F46 HydrophobicContact CE1-CD2 4.34Å; F41-F46 HydrophobicContact CG-CD2 4.16Å; F41-F46 PolarHBondContact O-N 3.46Å; F41-F46 VanDerWaalsContact O-N 3.09Å; G44-F46 PolarHBondContact O-N 3.13Å; F46-R48 PolarHBondContact O-N 3Å; F46-I86 HydrophobicContact CD1-CG2 4.07Å; F46-I86 HydrophobicContact CE1-CG2 3.82Å; F46-S90 WeakPolarHBondContact CZ-OG 3.36Å; F46-F128 AromaticContact CE2-CZ 3.96Å; F46-F128 HydrophobicContact CE2-CZ 3.96Å; F46-F128 HydrophobicContact CZ-CZ 4.34Å
47	A	90.5	Very high	94.5	Very high	88 Å²	88	63.2 Å²	63.2	73%	0.727	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-9.6	174.8	0	0	0	0	0	114.1	R45 P49	R45-A47 PolarHBondContact O-N 2.82Å; A47-P49 WeakPolarHBondContact O-CD 3.25Å
48	R	88	Confident	94.7	Very high	188 Å²	188	58.7 Å²	58.7	71%	0.709	29%	0.294	S	S	*	.			trans	-122.7	74.5	-177.6	-63.2	-177.2	-171.2	165.9	5.2	110.2	R45 F46 T50	R45-R48 CarbonylContact O-C 3.56Å; R45-R48 PolarHBondContact O-N 3.27Å; F46-R48 PolarHBondContact O-N 3Å; R48-T50 PolarHBondContact O-N 2.96Å; R48-T50 VanDerWaalsContact O-N 3.08Å
49	P	91.5	Very high	94.9	Very high	65 Å²	65	55.2 Å²	55.2	42%	0.422	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-10.3	-168.1	30.1	-37.5	0	0	0	114	A47 G51 T52 W53	A47-P49 WeakPolarHBondContact O-CD 3.25Å; P49-G51 VanDerWaalsContact C-N 3.26Å; P49-G51 PolarHBondContact O-N 3.45Å; P49-T52 WeakPolarHBondContact O-CA 3.5Å; P49-T52 VanDerWaalsContact O-CB 3.29Å; P49-T52 WeakPolarHBondContact O-CB 3.49Å; P49-T52 PolarHBondContact O-N 3.31Å; P49-W53 VanDerWaalsContact O-CD1 3.24Å; P49-W53 PolarHBondContact O-N 2.87Å
50	T	93.5	Very high	95.1	Very high	98 Å²	98	55.6 Å²	55.6	60%	0.601	28%	0.277	S	S	*	.	H	α-helix	trans	-50.9	-45.5	-179.7	-48.2	0	0	0	0	112.2	R48 T52 W53 L54	R48-T50 PolarHBondContact O-N 2.96Å; R48-T50 VanDerWaalsContact O-N 3.08Å; T50-T52 VanDerWaalsContact C-N 3.27Å; T50-T52 PolarHBondContact O-N 2.89Å; T50-W53 PolarHBondContact O-N 2.78Å; T50-L54 HydrophobicContact CG2-CD1 4.3Å; T50-L54 VanDerWaalsContact O-CG 3.3Å; T50-L54 WeakPolarHBondContact O-CG 3.5Å; T50-L54 PolarHBondContact O-N 3.28Å
51	G	92.9	Very high	95.1	Very high	14 Å²	14	57.8 Å²	57.8	14%	0.144	29%	0.285	C	S	.	.	H	α-helix	trans	-65.7	-30.6	179	0	0	0	0	0	113.5	P49 L55	P49-G51 VanDerWaalsContact C-N 3.26Å; P49-G51 PolarHBondContact O-N 3.45Å; G51-L55 PolarHBondContact O-N 3.26Å
52	T	96.2	Very high	95.2	Very high	22 Å²	22	53 Å²	53	14%	0.135	27%	0.265	C	S	.	.	H	α-helix	trans	-70.8	-43.8	175.7	-58.1	0	0	0	0	110.7	P49 T50 L54 L55 Y56 I86	P49-T52 WeakPolarHBondContact O-CA 3.5Å; P49-T52 VanDerWaalsContact O-CB 3.29Å; P49-T52 WeakPolarHBondContact O-CB 3.49Å; P49-T52 PolarHBondContact O-N 3.31Å; T50-T52 VanDerWaalsContact C-N 3.27Å; T50-T52 PolarHBondContact O-N 2.89Å; T52-L54 VanDerWaalsContact C-N 3.32Å; T52-L54 PolarHBondContact O-N 2.98Å; T52-L55 PolarHBondContact O-N 3.36Å; T52-Y56 WeakPolarHBondContact O-CB 3.32Å; T52-Y56 PolarHBondContact O-N 3.37Å; T52-I86 HydrophobicContact CG2-CB 4.24Å; T52-I86 HydrophobicContact CG2-CG1 3.6Å
53	W	96.8	Very high	95.3	Very high	143 Å²	143	47.6 Å²	47.6	54%	0.542	24%	0.239	S	C	.	.	H	α-helix	trans	-60.3	-42.2	175	-75.4	111.6	0	0	0	112	P49 T50 L55 Y56 L57	P49-W53 VanDerWaalsContact O-CD1 3.24Å; P49-W53 PolarHBondContact O-N 2.87Å; T50-W53 PolarHBondContact O-N 2.78Å; W53-L55 VanDerWaalsContact C-N 3.27Å; W53-L55 PolarHBondContact O-N 3.44Å; W53-Y56 AromaticContact CE3-CD1 3.81Å; W53-Y56 HydrophobicContact CE3-CD1 3.81Å; W53-Y56 HydrophobicContact CE3-CE1 4.49Å; W53-Y56 AromaticContact CZ3-CD1 3.67Å; W53-Y56 HydrophobicContact CZ3-CD1 3.67Å; W53-Y56 AromaticContact CZ3-CE1 3.91Å; W53-Y56 HydrophobicContact CZ3-CE1 3.91Å; W53-Y56 PolarHBondContact O-N 3.35Å; W53-Y56 VanDerWaalsContact O-N 3.14Å; W53-L57 WeakPolarHBondContact O-CB 3.3Å; W53-L57 VanDerWaalsContact O-CG 3.26Å; W53-L57 WeakPolarHBondContact O-CG 3.21Å; W53-L57 PolarHBondContact O-N 2.82Å
54	L	95.9	Very high	95.4	Very high	31 Å²	31	49.8 Å²	49.8	16%	0.162	26%	0.257	C	S	.	.	H	α-helix	trans	-63.7	-31.6	177.8	-68.5	172.4	0	0	0	113.2	T50 T52 P58 W209 Y213	T50-L54 HydrophobicContact CG2-CD1 4.3Å; T50-L54 VanDerWaalsContact O-CG 3.3Å; T50-L54 WeakPolarHBondContact O-CG 3.5Å; T50-L54 PolarHBondContact O-N 3.28Å; T52-L54 VanDerWaalsContact C-N 3.32Å; T52-L54 PolarHBondContact O-N 2.98Å; L54-P58 WeakPolarHBondContact O-CD 3.29Å; L54-W209 HydrophobicContact CD2-CH2 3.78Å; L54-W209 HydrophobicContact CD2-CZ2 4.13Å; L54-W209 HydrophobicContact CD2-CZ3 4.3Å; L54-Y213 HydrophobicContact CD1-CD2 4.29Å; L54-Y213 HydrophobicContact CD1-CE1 4.32Å; L54-Y213 HydrophobicContact CD1-CE2 3.69Å; L54-Y213 HydrophobicContact CD2-CD1 4.17Å; L54-Y213 HydrophobicContact CD2-CE1 3.65Å; L54-Y213 HydrophobicContact CD2-CE2 4.5Å; L54-Y213 HydrophobicContact CG-CE1 4.47Å
55	L	96.7	Very high	95.4	Very high	27 Å²	27	54.3 Å²	54.3	14%	0.141	28%	0.28	C	S	.	.	H	α-helix	trans	-77.2	-35.4	172.7	-178.4	61.1	0	0	0	112	G51 T52 W53 C59 M88 R89 L179	G51-L55 PolarHBondContact O-N 3.26Å; T52-L55 PolarHBondContact O-N 3.36Å; W53-L55 VanDerWaalsContact C-N 3.27Å; W53-L55 PolarHBondContact O-N 3.44Å; L55-C59 PolarHBondContact O-SG 3.15Å; L55-M88 HydrophobicContact CD2-CB 4.07Å; L55-R89 HydrophobicContact CD2-CB 4.09Å; L55-L179 HydrophobicContact CD1-CD2 4.38Å; L55-L179 VanDerWaalsContact CD1-O 3.31Å; L55-L179 WeakPolarHBondContact CD1-O 3.41Å
56	Y	98	Very high	95.5	Very high	39 Å²	39	52.7 Å²	52.7	15%	0.153	28%	0.275	C	S	.	.	H	α-helix	trans	-75.9	-41.3	-175.6	179.4	-127.8	0	0	0	113.3	T52 W53 C59 T60 L78 F81 G82 S85	T52-Y56 WeakPolarHBondContact O-CB 3.32Å; T52-Y56 PolarHBondContact O-N 3.37Å; W53-Y56 AromaticContact CE3-CD1 3.81Å; W53-Y56 HydrophobicContact CE3-CD1 3.81Å; W53-Y56 HydrophobicContact CE3-CE1 4.49Å; W53-Y56 AromaticContact CZ3-CD1 3.67Å; W53-Y56 HydrophobicContact CZ3-CD1 3.67Å; W53-Y56 AromaticContact CZ3-CE1 3.91Å; W53-Y56 HydrophobicContact CZ3-CE1 3.91Å; W53-Y56 PolarHBondContact O-N 3.35Å; W53-Y56 VanDerWaalsContact O-N 3.14Å; Y56-C59 WeakPolarHBondContact O-CA 3.37Å; Y56-C59 WeakPolarHBondContact O-CB 3.23Å; Y56-C59 PolarHBondContact O-N 2.96Å; Y56-T60 HydrophobicContact CD1-CG2 3.92Å; Y56-T60 HydrophobicContact CD2-CG2 3.82Å; Y56-T60 HydrophobicContact CE1-CG2 3.47Å; Y56-T60 VanDerWaalsContact CE1-CG2 3.47Å; Y56-T60 HydrophobicContact CE2-CG2 3.34Å; Y56-T60 HydrophobicContact CG-CG2 4.09Å; Y56-T60 PolarHBondContact O-N 3.42Å; Y56-T60 VanDerWaalsContact O-N 3.07Å; Y56-T60 WeakPolarHBondContact OH-CG2 3.43Å; Y56-L78 WeakPolarHBondContact CE2-O 3.21Å; Y56-L78 PolarHBondContact OH-O 3.32Å; Y56-L78 VanDerWaalsContact OH-O 3.14Å; Y56-F81 HydrophobicContact CD2-CB 4.36Å; Y56-F81 HydrophobicContact CE2-CB 4.13Å; Y56-G82 VanDerWaalsContact CE2-CA 3.45Å; Y56-G82 VanDerWaalsContact CE2-N 3.31Å; Y56-S85 WeakPolarHBondContact CA-OG 3.41Å
57	L	97.7	Very high	95.6	Very high	51 Å²	51	50.3 Å²	50.3	27%	0.267	27%	0.268	S	S	.	.	H	α-helix	trans	-59.2	-44.8	-173.6	-73.3	168.6	0	0	0	114.1	W53 C59 T60 W61 W209	W53-L57 WeakPolarHBondContact O-CB 3.3Å; W53-L57 VanDerWaalsContact O-CG 3.26Å; W53-L57 WeakPolarHBondContact O-CG 3.21Å; W53-L57 PolarHBondContact O-N 2.82Å; L57-C59 PolarHBondContact O-N 3.09Å; L57-T60 PolarHBondContact O-N 3.4Å; L57-T60 VanDerWaalsContact O-N 3.1Å; L57-T60 PolarHBondContact O-OG1 3.1Å; L57-W61 HydrophobicContact CB-CZ2 4Å; L57-W61 PolarHBondContact O-N 3.13Å; L57-W209 HydrophobicContact CB-CH2 4.45Å; L57-W209 HydrophobicContact CD1-CH2 3.81Å
58	P	97.1	Very high	95.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-59.7	-33.4	174.7	-23	33.5	0	0	0	113	L54 W61 S62 N180 V183	L54-P58 WeakPolarHBondContact O-CD 3.29Å; P58-W61 HydrophobicContact CB-CE3 4.39Å; P58-W61 HydrophobicContact CG-CZ3 4.41Å; P58-S62 WeakPolarHBondContact O-CB 3.33Å; P58-S62 PolarHBondContact O-N 3.21Å; P58-N180 WeakPolarHBondContact CG-OD1 3.27Å; P58-V183 HydrophobicContact CB-CG2 3.79Å
59	C	97.7	Very high	95.8	Very high	4 Å²	4	46.9 Å²	46.9	3%	0.027	26%	0.263	C	S	.	.	H	α-helix	trans	-64.3	-47.4	173.5	-52.6	0	0	0	0	111.2	L55 Y56 L57 S62 I63 F81 G182	L55-C59 PolarHBondContact O-SG 3.15Å; Y56-C59 WeakPolarHBondContact O-CA 3.37Å; Y56-C59 WeakPolarHBondContact O-CB 3.23Å; Y56-C59 PolarHBondContact O-N 2.96Å; L57-C59 PolarHBondContact O-N 3.09Å; C59-S62 PolarHBondContact O-N 3.35Å; C59-I63 VanDerWaalsContact O-CG1 3.26Å; C59-I63 WeakPolarHBondContact O-CG1 3.38Å; C59-I63 PolarHBondContact O-N 3.24Å; C59-F81 HydrophobicContact CB-CB 4.2Å; C59-F81 HydrophobicContact CB-CD1 3.44Å; C59-F81 VanDerWaalsContact CB-CD1 3.44Å; C59-F81 HydrophobicContact CB-CE1 4.11Å; C59-F81 HydrophobicContact CB-CG 4.15Å; C59-G182 WeakPolarHBondContact SG-CA 3.32Å
60	T	97.7	Very high	95.9	Very high	23 Å²	23	48.1 Å²	48.1	14%	0.141	29%	0.288	C	S	.	.	H	α-helix	trans	-67.5	-39.8	-177	64.4	0	0	0	0	112.3	Y56 L57 S62 I63 A64 L78	Y56-T60 HydrophobicContact CD1-CG2 3.92Å; Y56-T60 HydrophobicContact CD2-CG2 3.82Å; Y56-T60 HydrophobicContact CE1-CG2 3.47Å; Y56-T60 VanDerWaalsContact CE1-CG2 3.47Å; Y56-T60 HydrophobicContact CE2-CG2 3.34Å; Y56-T60 HydrophobicContact CG-CG2 4.09Å; Y56-T60 PolarHBondContact O-N 3.42Å; Y56-T60 VanDerWaalsContact O-N 3.07Å; Y56-T60 WeakPolarHBondContact OH-CG2 3.43Å; L57-T60 PolarHBondContact O-N 3.4Å; L57-T60 VanDerWaalsContact O-N 3.1Å; L57-T60 PolarHBondContact O-OG1 3.1Å; T60-S62 VanDerWaalsContact C-N 3.26Å; T60-S62 PolarHBondContact O-N 3.21Å; T60-I63 PolarHBondContact O-N 3.38Å; T60-A64 WeakPolarHBondContact O-CB 3.43Å; T60-A64 PolarHBondContact O-N 2.98Å; T60-L78 HydrophobicContact CG2-CD2 3.65Å
61	W	97.3	Very high	95.9	Very high	93 Å²	93	49.8 Å²	49.8	35%	0.352	29%	0.288	S	S	.	.	H	α-helix	trans	-58.3	-43.3	173.5	-59	-24.1	0	0	0	111.2	L57 P58 A64 L65 L202 A206 W209	L57-W61 HydrophobicContact CB-CZ2 4Å; L57-W61 PolarHBondContact O-N 3.13Å; P58-W61 HydrophobicContact CB-CE3 4.39Å; P58-W61 HydrophobicContact CG-CZ3 4.41Å; W61-A64 PolarHBondContact O-N 2.88Å; W61-L65 WeakPolarHBondContact O-CG 3.44Å; W61-L65 PolarHBondContact O-N 3.38Å; W61-L202 HydrophobicContact CB-CD1 4.24Å; W61-L202 HydrophobicContact CB-CD2 4.3Å; W61-L202 HydrophobicContact CE3-CD1 4.38Å; W61-A206 HydrophobicContact CZ3-CB 4.15Å; W61-W209 HydrophobicContact CH2-CD2 4.08Å; W61-W209 AromaticContact CH2-CE3 3.41Å; W61-W209 HydrophobicContact CH2-CE3 3.41Å; W61-W209 VanDerWaalsContact CH2-CE3 3.41Å; W61-W209 AromaticContact CH2-CH2 3.74Å; W61-W209 HydrophobicContact CH2-CH2 3.74Å; W61-W209 HydrophobicContact CH2-CZ2 4.37Å; W61-W209 AromaticContact CH2-CZ3 3.22Å; W61-W209 HydrophobicContact CH2-CZ3 3.22Å; W61-W209 HydrophobicContact CZ2-CH2 4.15Å; W61-W209 HydrophobicContact CZ2-CZ3 4.02Å; W61-W209 AromaticContact CZ3-CE3 3.85Å; W61-W209 HydrophobicContact CZ3-CE3 3.85Å; W61-W209 AromaticContact CZ3-CZ3 3.87Å; W61-W209 HydrophobicContact CZ3-CZ3 3.87Å
62	S	97.3	Very high	96	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.007	32%	0.321	C	S	.	.	H	α-helix	trans	-71.3	-39.1	-179.4	-165.5	0	0	0	0	113.4	P58 C59 T60 A64 L65 A66 V183 Y187	P58-S62 WeakPolarHBondContact O-CB 3.33Å; P58-S62 PolarHBondContact O-N 3.21Å; C59-S62 PolarHBondContact O-N 3.35Å; T60-S62 VanDerWaalsContact C-N 3.26Å; T60-S62 PolarHBondContact O-N 3.21Å; S62-A64 VanDerWaalsContact C-N 3.31Å; S62-L65 PolarHBondContact O-N 3Å; S62-A66 VanDerWaalsContact O-CB 3.29Å; S62-A66 WeakPolarHBondContact O-CB 3.49Å; S62-A66 PolarHBondContact O-N 3.44Å; S62-V183 WeakPolarHBondContact CB-O 3.47Å; S62-V183 PolarHBondContact OG-O 3.24Å; S62-Y187 WeakPolarHBondContact OG-CB 3.26Å; S62-Y187 PolarHBondContact OG-N 2.8Å
63	I	97.6	Very high	96	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-62.8	-42	173.9	-70.3	163.9	0	0	0	109.9	C59 T60 A66 A67 P73 M77 L78 F81 I190	C59-I63 VanDerWaalsContact O-CG1 3.26Å; C59-I63 WeakPolarHBondContact O-CG1 3.38Å; C59-I63 PolarHBondContact O-N 3.24Å; T60-I63 PolarHBondContact O-N 3.38Å; I63-A66 PolarHBondContact O-N 2.98Å; I63-A67 PolarHBondContact O-N 2.81Å; I63-A67 VanDerWaalsContact O-N 3.09Å; I63-P73 HydrophobicContact CG2-CB 3.88Å; I63-M77 HydrophobicContact CD1-CB 4.33Å; I63-M77 HydrophobicContact CG2-CB 4.41Å; I63-L78 HydrophobicContact CB-CD2 4.4Å; I63-L78 HydrophobicContact CD1-CD2 4.2Å; I63-L78 HydrophobicContact CG2-CD2 4.17Å; I63-L78 HydrophobicContact CG2-CG 4.48Å; I63-F81 HydrophobicContact CD1-CB 4.2Å; I63-F81 HydrophobicContact CD1-CD1 4.35Å; I63-F81 HydrophobicContact CD1-CD2 3.75Å; I63-F81 HydrophobicContact CD1-CE2 4.12Å; I63-F81 HydrophobicContact CD1-CG 3.84Å; I63-I190 HydrophobicContact CG2-CD1 4.16Å; I63-I190 HydrophobicContact CG2-CG1 4.26Å
64	A	96.8	Very high	95.9	Very high	47 Å²	47	54 Å²	54	39%	0.388	32%	0.319	S	S	.	.	H	α-helix	trans	-64.1	-41.5	177.2	0	0	0	0	0	112.6	T60 W61 S62 A66 A67 P73	T60-A64 WeakPolarHBondContact O-CB 3.43Å; T60-A64 PolarHBondContact O-N 2.98Å; W61-A64 PolarHBondContact O-N 2.88Å; S62-A64 VanDerWaalsContact C-N 3.31Å; A64-A66 VanDerWaalsContact C-N 3.28Å; A64-A66 PolarHBondContact O-N 2.86Å; A64-A67 WeakPolarHBondContact O-CB 3.2Å; A64-A67 PolarHBondContact O-N 2.97Å; A64-P73 HydrophobicContact CB-CB 4.3Å; A64-P73 HydrophobicContact CB-CG 4.38Å
65	L	96	Very high	95.9	Very high	98 Å²	98	58.8 Å²	58.8	51%	0.513	34%	0.343	S	S	.	.	H	α-helix	trans	-71.3	-22.5	175.9	-75.1	170.9	0	0	0	113.7	W61 S62 V198 L202	W61-L65 WeakPolarHBondContact O-CG 3.44Å; W61-L65 PolarHBondContact O-N 3.38Å; S62-L65 PolarHBondContact O-N 3Å; L65-V198 HydrophobicContact CB-CG1 4.18Å; L65-V198 HydrophobicContact CD1-CG1 4.31Å; L65-L202 HydrophobicContact CD1-CD1 4.19Å; L65-L202 HydrophobicContact CD1-CD2 3.71Å; L65-L202 HydrophobicContact CD1-CG 4.41Å
66	A	96.8	Very high	95.9	Very high	5 Å²	5	62.9 Å²	62.9	4%	0.041	36%	0.357	C	S	.	.	H	α-helix	trans	-85.5	-15.6	176.3	0	0	0	0	0	113.1	S62 I63 A64 Y187 I190 N191	S62-A66 VanDerWaalsContact O-CB 3.29Å; S62-A66 WeakPolarHBondContact O-CB 3.49Å; S62-A66 PolarHBondContact O-N 3.44Å; I63-A66 PolarHBondContact O-N 2.98Å; A64-A66 VanDerWaalsContact C-N 3.28Å; A64-A66 PolarHBondContact O-N 2.86Å; A66-Y187 HydrophobicContact CB-CD2 3.58Å; A66-Y187 HydrophobicContact CB-CE2 3.81Å; A66-Y187 HydrophobicContact CB-CG 3.99Å; A66-I190 HydrophobicContact CB-CB 3.73Å; A66-I190 HydrophobicContact CB-CG1 3.91Å; A66-I190 HydrophobicContact CB-CG2 4.08Å; A66-I190 WeakPolarHBondContact O-CG2 3.27Å; A66-N191 PolarHBondContact O-ND2 2.75Å
67	A	95.5	Very high	95.9	Very high	19 Å²	19	62.1 Å²	62.1	16%	0.157	36%	0.355	C	S	.	.	S	Bend	trans	-63.4	144.7	-179.7	0	0	0	0	0	111.3	I63 A64	I63-A67 PolarHBondContact O-N 2.81Å; I63-A67 VanDerWaalsContact O-N 3.09Å; A64-A67 WeakPolarHBondContact O-CB 3.2Å; A64-A67 PolarHBondContact O-N 2.97Å
68	P	92.3	Very high	95.9	Very high	76 Å²	76	61.2 Å²	61.2	49%	0.494	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-56.1	144.6	174.8	-24.5	33.9	0	0	0	111.6	G70 H71	P68-G70 PolarHBondContact O-N 3.46Å; P68-H71 HydrophobicContact CB-CB 4.47Å; P68-H71 WeakPolarHBondContact O-CB 3.3Å; P68-H71 PolarHBondContact O-N 3.31Å
69	P	91.4	Very high	96	Very high	128 Å²	128	65 Å²	65	83%	0.831	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	133.2	177.8	-27.7	34.9	0	0	0	112.1	H71	P69-H71 VanDerWaalsContact C-N 3.29Å; P69-H71 PolarHBondContact O-N 2.98Å; P69-H71 PolarHBondContact O-ND1 2.63Å; P69-H71 VanDerWaalsContact O-ND1 3.15Å
70	G	92.8	Very high	96	Very high	92 Å²	92	65.5 Å²	65.5	95%	0.948	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	-0.7	-179	0	0	0	0	0	115.7	P68	P68-G70 PolarHBondContact O-N 3.46Å
71	H	94	Very high	96	Very high	132 Å²	132	65.1 Å²	65.1	61%	0.611	37%	0.373	S	S	*	.			trans	-104.6	148.3	177.6	-64.6	68.2	0	0	0	111.3	P68 P69	P68-H71 HydrophobicContact CB-CB 4.47Å; P68-H71 WeakPolarHBondContact O-CB 3.3Å; P68-H71 PolarHBondContact O-N 3.31Å; P69-H71 VanDerWaalsContact C-N 3.29Å; P69-H71 PolarHBondContact O-N 2.98Å; P69-H71 PolarHBondContact O-ND1 2.63Å; P69-H71 VanDerWaalsContact O-ND1 3.15Å
72	L	95	Very high	96.1	Very high	157 Å²	157	61.5 Å²	61.5	82%	0.822	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-73.3	154.5	168.3	-67.9	177.5	0	0	0	110.2
73	P	95.3	Very high	96.1	Very high	37 Å²	37	64.6 Å²	64.6	24%	0.24	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-56.8	139.4	172.6	22.9	-33.7	0	0	0	111.3	I63 A64 I75 L78	I63-P73 HydrophobicContact CG2-CB 3.88Å; A64-P73 HydrophobicContact CB-CB 4.3Å; A64-P73 HydrophobicContact CB-CG 4.38Å; P73-I75 PolarHBondContact O-N 2.7Å; P73-I75 VanDerWaalsContact O-N 3.16Å; P73-L78 HydrophobicContact CB-CD1 3.95Å; P73-L78 HydrophobicContact CB-CD2 4.39Å; P73-L78 HydrophobicContact CB-CG 4.27Å; P73-L78 HydrophobicContact CG-CD1 3.91Å
74	D	94.8	Very high	96.1	Very high	75 Å²	75	65.2 Å²	65.2	40%	0.401	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-60.2	117.3	-179.5	178.1	10.4	0	0	0	111.3	Y76 M77 L78 I190	D74-Y76 PolarHBondContact O-N 3.15Å; D74-Y76 WeakPolarHBondContact OD1-CB 3.49Å; D74-Y76 PolarHBondContact OD1-N 3.37Å; D74-M77 HydrophobicContact CB-CB 4.13Å; D74-M77 HydrophobicContact CB-CG 4.1Å; D74-M77 PolarHBondContact O-N 3.11Å; D74-M77 VanDerWaalsContact OD2-CG 3.24Å; D74-M77 WeakPolarHBondContact OD2-CG 3.34Å; D74-L78 WeakPolarHBondContact O-CG 3.39Å; D74-L78 PolarHBondContact O-N 3.38Å; D74-I190 HydrophobicContact CB-CD1 4.47Å
75	I	96.7	Very high	96.2	Very high	130 Å²	130	63.2 Å²	63.2	67%	0.667	37%	0.373	S	S	*	.	H	α-helix	trans	-61.7	-34.1	-178.7	-62.2	174.4	0	0	0	111	P73 L78 T79	P73-I75 PolarHBondContact O-N 2.7Å; P73-I75 VanDerWaalsContact O-N 3.16Å; I75-L78 PolarHBondContact O-N 3.45Å; I75-T79 WeakPolarHBondContact O-CB 3.37Å; I75-T79 PolarHBondContact O-N 3.05Å; I75-T79 PolarHBondContact O-OG1 2.99Å
76	Y	97.4	Very high	96.2	Very high	113 Å²	113	62.2 Å²	62.2	44%	0.443	37%	0.367	S	S	.	.	H	α-helix	trans	-64.3	-46.8	177.2	174.2	-113.4	0	0	0	110.5	D74 T79 L80 Q142	D74-Y76 PolarHBondContact O-N 3.15Å; D74-Y76 WeakPolarHBondContact OD1-CB 3.49Å; D74-Y76 PolarHBondContact OD1-N 3.37Å; Y76-T79 WeakPolarHBondContact O-CB 3.36Å; Y76-T79 PolarHBondContact O-N 2.63Å; Y76-L80 HydrophobicContact CD1-CD1 4.24Å; Y76-L80 HydrophobicContact CE1-CD1 3.61Å; Y76-L80 HydrophobicContact CE1-CG 4.3Å; Y76-L80 HydrophobicContact CE2-CD1 4.22Å; Y76-L80 HydrophobicContact CE2-CD2 4.17Å; Y76-L80 HydrophobicContact CE2-CG 4.1Å; Y76-L80 PolarHBondContact O-N 3.46Å; Y76-Q142 PolarHBondContact OH-OE1 2.99Å
77	M	97.5	Very high	96.3	Very high	23 Å²	23	63.3 Å²	63.3	11%	0.113	37%	0.372	C	S	.	.	H	α-helix	trans	-64.2	-43.9	176	-68.3	-71	152.9	0	0	112.1	I63 D74 T79 L80 F81 L143 A189 I190	I63-M77 HydrophobicContact CD1-CB 4.33Å; I63-M77 HydrophobicContact CG2-CB 4.41Å; D74-M77 HydrophobicContact CB-CB 4.13Å; D74-M77 HydrophobicContact CB-CG 4.1Å; D74-M77 PolarHBondContact O-N 3.11Å; D74-M77 VanDerWaalsContact OD2-CG 3.24Å; D74-M77 WeakPolarHBondContact OD2-CG 3.34Å; M77-T79 PolarHBondContact O-N 3.28Å; M77-L80 HydrophobicContact CE-CD1 4.44Å; M77-L80 PolarHBondContact O-N 2.69Å; M77-L80 HydrophobicContact SD-CD1 4.38Å; M77-F81 WeakPolarHBondContact O-CB 3.46Å; M77-F81 VanDerWaalsContact O-CD2 3.25Å; M77-F81 WeakPolarHBondContact O-CD2 3.37Å; M77-F81 PolarHBondContact O-N 3.31Å; M77-L143 HydrophobicContact CE-CD2 4.33Å; M77-L143 HydrophobicContact SD-CD2 3.83Å; M77-A189 HydrophobicContact SD-CB 4.18Å; M77-I190 HydrophobicContact CB-CD1 4.05Å; M77-I190 HydrophobicContact CG-CD1 3.65Å
78	L	98.1	Very high	96.3	Very high	32 Å²	32	64.3 Å²	64.3	17%	0.168	37%	0.374	C	S	.	.	H	α-helix	trans	-56.7	-40.6	173.5	-69.1	176.6	0	0	0	111.6	Y56 T60 I63 P73 D74 I75 G82	Y56-L78 WeakPolarHBondContact CE2-O 3.21Å; Y56-L78 PolarHBondContact OH-O 3.32Å; Y56-L78 VanDerWaalsContact OH-O 3.14Å; T60-L78 HydrophobicContact CG2-CD2 3.65Å; I63-L78 HydrophobicContact CB-CD2 4.4Å; I63-L78 HydrophobicContact CD1-CD2 4.2Å; I63-L78 HydrophobicContact CG2-CD2 4.17Å; I63-L78 HydrophobicContact CG2-CG 4.48Å; P73-L78 HydrophobicContact CB-CD1 3.95Å; P73-L78 HydrophobicContact CB-CD2 4.39Å; P73-L78 HydrophobicContact CB-CG 4.27Å; P73-L78 HydrophobicContact CG-CD1 3.91Å; D74-L78 WeakPolarHBondContact O-CG 3.39Å; D74-L78 PolarHBondContact O-N 3.38Å; I75-L78 PolarHBondContact O-N 3.45Å; L78-G82 PolarHBondContact O-N 3.39Å
79	T	98.2	Very high	96.6	Very high	80 Å²	80	64 Å²	64	49%	0.491	36%	0.363	S	S	.	.	H	α-helix	trans	-67.3	-47.8	178.3	-56.9	0	0	0	0	111.8	I75 Y76 M77 F81 G82 V83	I75-T79 WeakPolarHBondContact O-CB 3.37Å; I75-T79 PolarHBondContact O-N 3.05Å; I75-T79 PolarHBondContact O-OG1 2.99Å; Y76-T79 WeakPolarHBondContact O-CB 3.36Å; Y76-T79 PolarHBondContact O-N 2.63Å; M77-T79 PolarHBondContact O-N 3.28Å; T79-F81 VanDerWaalsContact C-N 3.33Å; T79-F81 PolarHBondContact O-N 2.93Å; T79-G82 PolarHBondContact O-N 3.4Å; T79-V83 WeakPolarHBondContact O-CG2 3.44Å; T79-V83 PolarHBondContact O-N 3.33Å
80	L	98.1	Very high	96.8	Very high	15 Å²	15	57.9 Å²	57.9	8%	0.079	32%	0.324	C	S	.	.	H	α-helix	trans	-57.4	-46.7	176.8	-72.1	-176.9	0	0	0	111.4	Y76 M77 G82 G84 I139 Q142 L143	Y76-L80 HydrophobicContact CD1-CD1 4.24Å; Y76-L80 HydrophobicContact CE1-CD1 3.61Å; Y76-L80 HydrophobicContact CE1-CG 4.3Å; Y76-L80 HydrophobicContact CE2-CD1 4.22Å; Y76-L80 HydrophobicContact CE2-CD2 4.17Å; Y76-L80 HydrophobicContact CE2-CG 4.1Å; Y76-L80 PolarHBondContact O-N 3.46Å; M77-L80 HydrophobicContact CE-CD1 4.44Å; M77-L80 PolarHBondContact O-N 2.69Å; M77-L80 HydrophobicContact SD-CD1 4.38Å; L80-G82 VanDerWaalsContact C-N 3.34Å; L80-G82 PolarHBondContact O-N 3.21Å; L80-G84 PolarHBondContact O-N 2.96Å; L80-I139 HydrophobicContact CB-CG2 4.15Å; L80-I139 HydrophobicContact CD2-CG2 4.21Å; L80-Q142 HydrophobicContact CD1-CB 4.25Å; L80-L143 HydrophobicContact CD1-CD2 4Å
81	F	98.1	Very high	97.1	Very high	14 Å²	14	53.5 Å²	53.5	6%	0.061	28%	0.278	C	S	.	.	H	α-helix	trans	-69.7	-30.8	178.4	-83.2	-103.9	0	0	0	112.6	Y56 C59 I63 M77 T79 S85 L143 L185 A189	Y56-F81 HydrophobicContact CD2-CB 4.36Å; Y56-F81 HydrophobicContact CE2-CB 4.13Å; C59-F81 HydrophobicContact CB-CB 4.2Å; C59-F81 HydrophobicContact CB-CD1 3.44Å; C59-F81 VanDerWaalsContact CB-CD1 3.44Å; C59-F81 HydrophobicContact CB-CE1 4.11Å; C59-F81 HydrophobicContact CB-CG 4.15Å; I63-F81 HydrophobicContact CD1-CB 4.2Å; I63-F81 HydrophobicContact CD1-CD1 4.35Å; I63-F81 HydrophobicContact CD1-CD2 3.75Å; I63-F81 HydrophobicContact CD1-CE2 4.12Å; I63-F81 HydrophobicContact CD1-CG 3.84Å; M77-F81 WeakPolarHBondContact O-CB 3.46Å; M77-F81 VanDerWaalsContact O-CD2 3.25Å; M77-F81 WeakPolarHBondContact O-CD2 3.37Å; M77-F81 PolarHBondContact O-N 3.31Å; T79-F81 VanDerWaalsContact C-N 3.33Å; T79-F81 PolarHBondContact O-N 2.93Å; F81-S85 WeakPolarHBondContact O-CB 3.42Å; F81-S85 PolarHBondContact O-N 3.07Å; F81-S85 PolarHBondContact O-OG 3.25Å; F81-L143 HydrophobicContact CE2-CD1 4.08Å; F81-L143 HydrophobicContact CE2-CD2 4.3Å; F81-L143 HydrophobicContact CZ-CD1 4.14Å; F81-L185 HydrophobicContact CE1-CB 4.05Å; F81-L185 HydrophobicContact CE1-CD2 3.87Å; F81-L185 HydrophobicContact CE1-CG 3.77Å; F81-L185 HydrophobicContact CZ-CB 4.33Å; F81-L185 HydrophobicContact CZ-CD2 4.2Å; F81-L185 HydrophobicContact CZ-CG 3.78Å; F81-A189 HydrophobicContact CE2-CB 3.73Å; F81-A189 HydrophobicContact CZ-CB 3.8Å
82	G	97.9	Very high	97.2	Very high	17 Å²	17	48.1 Å²	48.1	18%	0.175	26%	0.258	C	S	.	.	H	α-helix	trans	-64.4	-51.7	173.8	0	0	0	0	0	111.8	Y56 L78 T79 L80 S85 I86	Y56-G82 VanDerWaalsContact CE2-CA 3.45Å; Y56-G82 VanDerWaalsContact CE2-N 3.31Å; L78-G82 PolarHBondContact O-N 3.39Å; T79-G82 PolarHBondContact O-N 3.4Å; L80-G82 VanDerWaalsContact C-N 3.34Å; L80-G82 PolarHBondContact O-N 3.21Å; G82-S85 PolarHBondContact O-N 3.49Å; G82-I86 WeakPolarHBondContact O-CG1 3.25Å; G82-I86 PolarHBondContact O-N 3.46Å; G82-I86 VanDerWaalsContact O-N 3.13Å
83	V	97.9	Very high	97.2	Very high	66 Å²	66	40.8 Å²	40.8	40%	0.4	22%	0.22	S	C	.	.	H	α-helix	trans	-64.4	-44	176.4	-178.6	0	0	0	0	110.7	T79 S85 I86 L87 I139	T79-V83 WeakPolarHBondContact O-CG2 3.44Å; T79-V83 PolarHBondContact O-N 3.33Å; V83-S85 VanDerWaalsContact C-N 3.29Å; V83-S85 PolarHBondContact O-N 3Å; V83-I86 WeakPolarHBondContact O-CB 3.43Å; V83-I86 PolarHBondContact O-N 3.08Å; V83-L87 HydrophobicContact CG1-CD1 4.18Å; V83-L87 WeakPolarHBondContact O-CG 3.37Å; V83-L87 PolarHBondContact O-N 2.84Å; V83-L87 VanDerWaalsContact O-N 3.11Å; V83-I139 HydrophobicContact CB-CD1 4.04Å; V83-I139 HydrophobicContact CG1-CD1 3.6Å
84	G	97.8	Very high	97.3	Very high	13 Å²	13	39 Å²	39	13%	0.134	21%	0.209	C	C	.	.	H	α-helix	trans	-57.6	-41	174.8	0	0	0	0	0	112.3	L80 I86 L87 M88	L80-G84 PolarHBondContact O-N 2.96Å; G84-I86 PolarHBondContact O-N 3.24Å; G84-L87 PolarHBondContact O-N 3.07Å; G84-M88 VanDerWaalsContact O-CB 3.27Å; G84-M88 WeakPolarHBondContact O-CB 3.32Å; G84-M88 WeakPolarHBondContact O-CG 3.28Å; G84-M88 PolarHBondContact O-N 2.89Å
85	S	97.8	Very high	97.4	Very high	5 Å²	5	36 Å²	36	4%	0.035	19%	0.192	C	C	.	.	H	α-helix	trans	-66	-38.5	177.5	-62.9	0	0	0	0	112.2	Y56 F81 G82 V83 R89	Y56-S85 WeakPolarHBondContact CA-OG 3.41Å; F81-S85 WeakPolarHBondContact O-CB 3.42Å; F81-S85 PolarHBondContact O-N 3.07Å; F81-S85 PolarHBondContact O-OG 3.25Å; G82-S85 PolarHBondContact O-N 3.49Å; V83-S85 VanDerWaalsContact C-N 3.29Å; V83-S85 PolarHBondContact O-N 3Å; S85-R89 WeakPolarHBondContact O-CB 3.26Å; S85-R89 PolarHBondContact O-N 3.39Å
86	I	97.6	Very high	97.4	Very high	77 Å²	77	30.6 Å²	30.6	40%	0.395	17%	0.165	S	C	.	.	H	α-helix	trans	-59.7	-49.9	174.4	-67.2	163.6	0	0	0	110	F46 T52 G82 V83 G84 S90	F46-I86 HydrophobicContact CD1-CG2 4.07Å; F46-I86 HydrophobicContact CE1-CG2 3.82Å; T52-I86 HydrophobicContact CG2-CB 4.24Å; T52-I86 HydrophobicContact CG2-CG1 3.6Å; G82-I86 WeakPolarHBondContact O-CG1 3.25Å; G82-I86 PolarHBondContact O-N 3.46Å; G82-I86 VanDerWaalsContact O-N 3.13Å; V83-I86 WeakPolarHBondContact O-CB 3.43Å; V83-I86 PolarHBondContact O-N 3.08Å; G84-I86 PolarHBondContact O-N 3.24Å; I86-S90 VanDerWaalsContact O-CB 3.28Å; I86-S90 WeakPolarHBondContact O-CB 3.32Å; I86-S90 PolarHBondContact O-N 3.05Å; I86-S90 VanDerWaalsContact O-N 3.14Å
87	L	97.7	Very high	97.3	Very high	28 Å²	28	25.3 Å²	25.3	15%	0.147	14%	0.144	C	C	.	.	H	α-helix	trans	-69.1	-46.7	-176.6	-65.1	170.2	0	0	0	112.2	V83 G84 S90 A91 T135 S136 I139	V83-L87 HydrophobicContact CG1-CD1 4.18Å; V83-L87 WeakPolarHBondContact O-CG 3.37Å; V83-L87 PolarHBondContact O-N 2.84Å; V83-L87 VanDerWaalsContact O-N 3.11Å; G84-L87 PolarHBondContact O-N 3.07Å; L87-S90 WeakPolarHBondContact O-CB 3.28Å; L87-S90 PolarHBondContact O-N 3.1Å; L87-A91 WeakPolarHBondContact O-CB 3.49Å; L87-A91 PolarHBondContact O-N 2.93Å; L87-T135 HydrophobicContact CD1-CG2 3.57Å; L87-T135 HydrophobicContact CD2-CG2 4.46Å; L87-S136 WeakPolarHBondContact CB-OG 3.38Å; L87-I139 HydrophobicContact CD1-CD1 3.69Å
88	M	97.1	Very high	97.2	Very high	40 Å²	40	25.6 Å²	25.6	20%	0.197	15%	0.146	C	C	.	.	H	α-helix	trans	-72.2	-33.8	-177.5	-73.3	-59.1	-64.2	0	0	112.5	L55 G84 S90 A91 G92 L133 L155	L55-M88 HydrophobicContact CD2-CB 4.07Å; G84-M88 VanDerWaalsContact O-CB 3.27Å; G84-M88 WeakPolarHBondContact O-CB 3.32Å; G84-M88 WeakPolarHBondContact O-CG 3.28Å; G84-M88 PolarHBondContact O-N 2.89Å; M88-S90 VanDerWaalsContact C-N 3.32Å; M88-A91 PolarHBondContact O-N 3.26Å; M88-G92 PolarHBondContact O-N 3.47Å; M88-L133 HydrophobicContact SD-CD2 4.15Å; M88-L155 HydrophobicContact CE-CD2 3.82Å
89	R	97	Very high	97	Very high	69 Å²	69	28.9 Å²	28.9	26%	0.26	16%	0.156	S	C	.	.	H	α-helix	trans	-62.4	-45.5	169.9	178.4	60.2	-171.2	165.1	-0.8	110.4	L55 S85 G92 C93	L55-R89 HydrophobicContact CD2-CB 4.09Å; S85-R89 WeakPolarHBondContact O-CB 3.26Å; S85-R89 PolarHBondContact O-N 3.39Å; R89-G92 PolarHBondContact O-N 2.92Å; R89-C93 PolarHBondContact NE-SG 3.42Å; R89-C93 VanDerWaalsContact NE-SG 3.39Å; R89-C93 WeakPolarHBondContact O-CB 3.47Å; R89-C93 PolarHBondContact O-N 3.35Å; R89-C93 PolarHBondContact O-SG 3.02Å
90	S	97.2	Very high	96.8	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.007	14%	0.136	C	C	.	.	H	α-helix	trans	-60.8	-44.6	177.3	-172.8	0	0	0	0	111.9	G44 F46 I86 L87 M88 C93 T94 Q132	G44-S90 WeakPolarHBondContact CA-OG 3.39Å; G44-S90 WeakPolarHBondContact O-CA 3.48Å; G44-S90 PolarHBondContact O-OG 3.24Å; F46-S90 WeakPolarHBondContact CZ-OG 3.36Å; I86-S90 VanDerWaalsContact O-CB 3.28Å; I86-S90 WeakPolarHBondContact O-CB 3.32Å; I86-S90 PolarHBondContact O-N 3.05Å; I86-S90 VanDerWaalsContact O-N 3.14Å; L87-S90 WeakPolarHBondContact O-CB 3.28Å; L87-S90 PolarHBondContact O-N 3.1Å; M88-S90 VanDerWaalsContact C-N 3.32Å; S90-C93 WeakPolarHBondContact O-CB 3.48Å; S90-C93 PolarHBondContact O-N 2.87Å; S90-T94 PolarHBondContact O-N 3.45Å; S90-T94 PolarHBondContact O-OG1 3.17Å; S90-T94 VanDerWaalsContact O-OG1 3.07Å; S90-Q132 PolarHBondContact OG-NE2 3.36Å
91	A	97.6	Very high	96.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61	-49.8	175.5	0	0	0	0	0	112.6	L87 M88 C93 T94 I95 L129 Q132 L133	L87-A91 WeakPolarHBondContact O-CB 3.49Å; L87-A91 PolarHBondContact O-N 2.93Å; M88-A91 PolarHBondContact O-N 3.26Å; A91-C93 PolarHBondContact O-N 2.65Å; A91-T94 WeakPolarHBondContact O-CB 3.48Å; A91-T94 PolarHBondContact O-N 3.38Å; A91-T94 VanDerWaalsContact O-N 3.11Å; A91-I95 WeakPolarHBondContact O-CG1 3.27Å; A91-I95 PolarHBondContact O-N 3.4Å; A91-L129 HydrophobicContact CB-CD1 3.8Å; A91-Q132 HydrophobicContact CB-CB 4.08Å; A91-L133 HydrophobicContact CB-CD2 4.05Å
92	G	96.7	Very high	96.3	Very high	18 Å²	18	35.6 Å²	35.6	19%	0.186	18%	0.178	C	C	.	.	H	α-helix	trans	-59.2	-33.3	177.1	0	0	0	0	0	112.5	M88 R89 N96	M88-G92 PolarHBondContact O-N 3.47Å; R89-G92 PolarHBondContact O-N 2.92Å; G92-N96 VanDerWaalsContact O-CB 3.28Å; G92-N96 WeakPolarHBondContact O-CB 3.48Å; G92-N96 PolarHBondContact O-N 3.36Å
93	C	95.7	Very high	95.9	Very high	4 Å²	4	41.1 Å²	41.1	3%	0.027	20%	0.195	C	C	.	.	H	α-helix	trans	-72	-40.4	175.4	-72.2	0	0	0	0	113.3	R45 R89 S90 A91 N96 D97	R45-C93 WeakPolarHBondContact CD-SG 3.24Å; R45-C93 PolarHBondContact NH1-O 2.85Å; R89-C93 PolarHBondContact NE-SG 3.42Å; R89-C93 VanDerWaalsContact NE-SG 3.39Å; R89-C93 WeakPolarHBondContact O-CB 3.47Å; R89-C93 PolarHBondContact O-N 3.35Å; R89-C93 PolarHBondContact O-SG 3.02Å; S90-C93 WeakPolarHBondContact O-CB 3.48Å; S90-C93 PolarHBondContact O-N 2.87Å; A91-C93 PolarHBondContact O-N 2.65Å; C93-N96 WeakPolarHBondContact O-CB 3.23Å; C93-N96 PolarHBondContact O-N 3.14Å; C93-D97 PolarHBondContact O-N 3.15Å
94	T	97.4	Very high	95.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-60.5	-49.2	171.4	-55.8	0	0	0	0	110.9	L43 S90 A91 N96 D97 M98 A125 F128 L129 Q132	L43-T94 HydrophobicContact CD2-CG2 4.08Å; L43-T94 HydrophobicContact CG-CG2 4.32Å; S90-T94 PolarHBondContact O-N 3.45Å; S90-T94 PolarHBondContact O-OG1 3.17Å; S90-T94 VanDerWaalsContact O-OG1 3.07Å; A91-T94 WeakPolarHBondContact O-CB 3.48Å; A91-T94 PolarHBondContact O-N 3.38Å; A91-T94 VanDerWaalsContact O-N 3.11Å; T94-N96 VanDerWaalsContact C-N 3.31Å; T94-N96 PolarHBondContact O-N 2.75Å; T94-D97 PolarHBondContact O-N 3.16Å; T94-M98 HydrophobicContact CG2-CG 4.49Å; T94-M98 HydrophobicContact CG2-SD 3.98Å; T94-M98 VanDerWaalsContact O-CG 3.27Å; T94-M98 WeakPolarHBondContact O-CG 3.49Å; T94-M98 PolarHBondContact O-N 2.99Å; T94-A125 HydrophobicContact CG2-CB 4.26Å; T94-F128 HydrophobicContact CG2-CD1 4.4Å; T94-L129 HydrophobicContact CG2-CB 3.91Å; T94-Q132 PolarHBondContact OG1-OE1 2.92Å
95	I	96.8	Very high	95.3	Very high	11 Å²	11	42.2 Å²	42.2	6%	0.056	19%	0.194	C	C	.	.	H	α-helix	trans	-56.5	-48.7	176.2	-66.8	168.1	0	0	0	109.8	A91 D97 M98 W99 L129 V158 I159	A91-I95 WeakPolarHBondContact O-CG1 3.27Å; A91-I95 PolarHBondContact O-N 3.4Å; I95-D97 VanDerWaalsContact C-N 3.31Å; I95-D97 PolarHBondContact O-N 2.9Å; I95-M98 WeakPolarHBondContact O-CB 3.49Å; I95-M98 PolarHBondContact O-N 3.29Å; I95-W99 VanDerWaalsContact O-CD1 3.26Å; I95-W99 PolarHBondContact O-N 2.97Å; I95-L129 HydrophobicContact CD1-CD1 4.04Å; I95-L129 HydrophobicContact CD1-CD2 4.43Å; I95-L129 HydrophobicContact CG1-CD1 3.74Å; I95-L129 HydrophobicContact CG1-CD2 3.69Å; I95-L129 HydrophobicContact CG1-CG 4.39Å; I95-V158 HydrophobicContact CD1-CG1 4.05Å; I95-I159 HydrophobicContact CD1-CG1 4.12Å
96	N	94.9	Very high	94.9	Very high	16 Å²	16	49 Å²	49	9%	0.086	23%	0.229	C	C	.	.	H	α-helix	trans	-54.6	-47.8	179.4	-171.5	86.8	0	0	0	112.3	G92 C93 T94 M98 W99 D100 K165	G92-N96 VanDerWaalsContact O-CB 3.28Å; G92-N96 WeakPolarHBondContact O-CB 3.48Å; G92-N96 PolarHBondContact O-N 3.36Å; C93-N96 WeakPolarHBondContact O-CB 3.23Å; C93-N96 PolarHBondContact O-N 3.14Å; T94-N96 VanDerWaalsContact C-N 3.31Å; T94-N96 PolarHBondContact O-N 2.75Å; N96-M98 VanDerWaalsContact C-N 3.35Å; N96-W99 PolarHBondContact O-N 3.14Å; N96-D100 PolarHBondContact ND2-OD2 2.83Å; N96-D100 VanDerWaalsContact O-CB 3.25Å; N96-D100 WeakPolarHBondContact O-CB 3.5Å; N96-D100 PolarHBondContact O-N 3.02Å; N96-D100 PolarHBondContact OD1-OD2 3.24Å; N96-K165 PolarHBondContact ND2-NZ 3.44Å; N96-K165 WeakPolarHBondContact OD1-CE 3.42Å; N96-K165 PolarHBondContact OD1-NZ 3.44Å
97	D	95.3	Very high	94.3	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.011	22%	0.224	C	C	.	.	H	α-helix	trans	-73.4	-29.7	-176.5	-67.6	9	0	0	0	111.8	L43 R45 C93 T94 I95 K101 R113 L115	L43-D97 HydrophobicContact CD1-CB 4Å; R45-D97 IonicContact CZ-OD1 3.49Å; R45-D97 IonicContact CZ-OD2 3.39Å; R45-D97 IonicContact NH1-OD1 3.46Å; R45-D97 PolarHBondContact NH1-OD1 3.23Å; R45-D97 IonicContact NH1-OD2 2.82Å; R45-D97 PolarHBondContact NH1-OD2 2.88Å; R45-D97 IonicContact NH2-OD1 2.63Å; R45-D97 PolarHBondContact NH2-OD1 2.91Å; R45-D97 IonicContact NH2-OD2 3.02Å; R45-D97 PolarHBondContact NH2-OD2 3.45Å; C93-D97 PolarHBondContact O-N 3.15Å; T94-D97 PolarHBondContact O-N 3.16Å; I95-D97 VanDerWaalsContact C-N 3.31Å; I95-D97 PolarHBondContact O-N 2.9Å; D97-K101 PolarHBondContact O-N 3.08Å; D97-R113 IonicContact OD1-CZ 3.89Å; D97-R113 IonicContact OD1-NH1 3.37Å; D97-R113 PolarHBondContact OD1-NH1 3.25Å; D97-L115 HydrophobicContact CB-CD1 3.9Å
98	M	96.4	Very high	93.8	Very high	30 Å²	30	55 Å²	55	15%	0.148	26%	0.255	C	S	.	.	H	α-helix	trans	-63.6	-43.4	170.6	-70.9	172.2	71.5	0	0	111.7	T94 I95 N96 L115 F122 A125 L126 L129	T94-M98 HydrophobicContact CG2-CG 4.49Å; T94-M98 HydrophobicContact CG2-SD 3.98Å; T94-M98 VanDerWaalsContact O-CG 3.27Å; T94-M98 WeakPolarHBondContact O-CG 3.49Å; T94-M98 PolarHBondContact O-N 2.99Å; I95-M98 WeakPolarHBondContact O-CB 3.49Å; I95-M98 PolarHBondContact O-N 3.29Å; N96-M98 VanDerWaalsContact C-N 3.35Å; M98-L115 HydrophobicContact CB-CD1 4.39Å; M98-L115 HydrophobicContact CG-CD1 3.66Å; M98-F122 HydrophobicContact CB-CE2 4.01Å; M98-F122 HydrophobicContact CE-CD1 4.45Å; M98-F122 HydrophobicContact CE-CD2 4.28Å; M98-F122 HydrophobicContact CE-CE1 3.76Å; M98-F122 HydrophobicContact CE-CE2 3.56Å; M98-F122 HydrophobicContact CE-CZ 3.26Å; M98-F122 HydrophobicContact CG-CE2 4.15Å; M98-A125 HydrophobicContact CG-CB 4.23Å; M98-A125 HydrophobicContact SD-CB 4.35Å; M98-L126 HydrophobicContact CE-CB 4.33Å; M98-L126 HydrophobicContact CE-CD1 4.23Å; M98-L129 HydrophobicContact SD-CD2 4.09Å
99	W	94.4	Very high	93.3	Very high	101 Å²	101	58.7 Å²	58.7	38%	0.383	27%	0.266	S	S	.	.	H	α-helix	trans	-70.9	-37.9	176.1	-84.4	90.5	0	0	0	112.9	I95 N96 P162 L163 R166	I95-W99 VanDerWaalsContact O-CD1 3.26Å; I95-W99 PolarHBondContact O-N 2.97Å; N96-W99 PolarHBondContact O-N 3.14Å; W99-P162 HydrophobicContact CB-CB 3.62Å; W99-P162 HydrophobicContact CB-CG 4.11Å; W99-P162 HydrophobicContact CD2-CB 4.24Å; W99-P162 HydrophobicContact CG-CB 3.78Å; W99-P162 HydrophobicContact CG-CG 4.06Å; W99-L163 HydrophobicContact CE3-CD2 4.07Å; W99-L163 HydrophobicContact CE3-CG 4.37Å; W99-L163 HydrophobicContact CH2-CD1 3.73Å; W99-L163 HydrophobicContact CH2-CD2 3.4Å; W99-L163 VanDerWaalsContact CH2-CD2 3.4Å; W99-L163 HydrophobicContact CH2-CG 3.52Å; W99-L163 HydrophobicContact CZ2-CD1 4.26Å; W99-L163 HydrophobicContact CZ2-CD2 4.47Å; W99-L163 HydrophobicContact CZ2-CG 4.16Å; W99-L163 HydrophobicContact CZ3-CD1 4.35Å; W99-L163 HydrophobicContact CZ3-CD2 3.16Å; W99-L163 HydrophobicContact CZ3-CG 3.65Å; W99-R166 VanDerWaalsContact CE3-NH1 3.34Å; W99-R166 PolarHBondContact O-NH2 3.42Å
100	D	92.9	Very high	92.9	Very high	12 Å²	12	55.5 Å²	55.5	6%	0.064	26%	0.255	C	S	.	.	H	α-helix	trans	-93.4	-2.9	-171.2	-71.4	-23.6	0	0	0	113.6	N96 K102 Y103 D104 K165 R166	N96-D100 PolarHBondContact ND2-OD2 2.83Å; N96-D100 VanDerWaalsContact O-CB 3.25Å; N96-D100 WeakPolarHBondContact O-CB 3.5Å; N96-D100 PolarHBondContact O-N 3.02Å; N96-D100 PolarHBondContact OD1-OD2 3.24Å; D100-K102 VanDerWaalsContact C-N 3.29Å; D100-K102 PolarHBondContact O-N 3.38Å; D100-Y103 WeakPolarHBondContact O-CA 3.45Å; D100-Y103 PolarHBondContact O-N 2.96Å; D100-D104 PolarHBondContact O-N 3.15Å; D100-K165 IonicContact OD2-NZ 2.81Å; D100-K165 PolarHBondContact OD2-NZ 2.92Å; D100-R166 IonicContact OD1-CZ 3.79Å; D100-R166 IonicContact OD1-NH2 2.79Å; D100-R166 PolarHBondContact OD1-NH2 3.4Å
101	K	93.6	Very high	92.6	Very high	73 Å²	73	60.1 Å²	60.1	32%	0.317	28%	0.275	S	S	.	.	H	α-helix	trans	-40.2	-51.3	-175.4	179.9	177.5	176.2	174.8	0	114.2	D97 M105 L115	D97-K101 PolarHBondContact O-N 3.08Å; K101-M105 WeakPolarHBondContact O-CG 3.42Å; K101-M105 PolarHBondContact O-N 3.02Å; K101-L115 WeakPolarHBondContact CE-O 3.33Å
102	K	93.1	Very high	92.4	Very high	164 Å²	164	65.2 Å²	65.2	71%	0.713	30%	0.302	S	S	*	.	H	α-helix	trans	-64.8	-40	-178.4	-68.9	-174.2	-178.6	-179.4	0	113	D100 M105	D100-K102 VanDerWaalsContact C-N 3.29Å; D100-K102 PolarHBondContact O-N 3.38Å; K102-M105 HydrophobicContact CB-CE 4.44Å; K102-M105 HydrophobicContact CG-CE 4.38Å
103	Y	89.1	Confident	92.2	Very high	133 Å²	133	66.7 Å²	66.7	52%	0.522	30%	0.302	S	S	.	.	H	α-helix	trans	-76	-40.3	180	-58.5	-75.7	0	0	0	111.4	D100 M105 L106 R166	D100-Y103 WeakPolarHBondContact O-CA 3.45Å; D100-Y103 PolarHBondContact O-N 2.96Å; Y103-M105 VanDerWaalsContact C-N 3.25Å; Y103-M105 PolarHBondContact O-N 3.3Å; Y103-L106 WeakPolarHBondContact O-CB 3.47Å; Y103-L106 PolarHBondContact O-N 2.82Å; Y103-R166 VanDerWaalsContact CE2-NE 3.28Å
104	D	90.9	Very high	92.2	Very high	13 Å²	13	66.6 Å²	66.6	7%	0.07	30%	0.301	C	S	.	.	H	α-helix	trans	-62.6	-33.8	-178.6	-83.1	-15.5	0	0	0	111.8	D100 L106 V107 T110 K111 R113 A116	D100-D104 PolarHBondContact O-N 3.15Å; D104-L106 PolarHBondContact O-N 3.44Å; D104-V107 PolarHBondContact O-N 2.84Å; D104-T110 WeakPolarHBondContact CA-OG1 3.48Å; D104-T110 CarbonylContact O-C 3.59Å; D104-T110 VanDerWaalsContact O-C 3.24Å; D104-T110 PolarHBondContact O-OG1 3.07Å; D104-T110 WeakPolarHBondContact OD1-CB 3.45Å; D104-T110 PolarHBondContact OD1-OG1 2.89Å; D104-K111 WeakPolarHBondContact O-CA 3.5Å; D104-K111 PolarHBondContact O-N 3.22Å; D104-R113 VanDerWaalsContact CG-NH1 3.28Å; D104-R113 IonicContact OD1-CZ 3.99Å; D104-R113 IonicContact OD1-NH1 3.15Å; D104-R113 PolarHBondContact OD1-NH1 3.44Å; D104-R113 VanDerWaalsContact OD1-NH1 3.15Å; D104-R113 VanDerWaalsContact OD2-CD 3.32Å; D104-R113 WeakPolarHBondContact OD2-CD 3.23Å; D104-R113 IonicContact OD2-CZ 3.66Å; D104-R113 IonicContact OD2-NE 3.9Å; D104-R113 IonicContact OD2-NH1 2.7Å; D104-R113 PolarHBondContact OD2-NH1 2.9Å; D104-A116 HydrophobicContact CB-CB 3.88Å
105	M	91.1	Very high	92.1	Very high	90 Å²	90	66.7 Å²	66.7	44%	0.443	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-28.3	173.5	-74.4	-173	-62.4	0	0	113.6	K101 K102 Y103 A116	K101-M105 WeakPolarHBondContact O-CG 3.42Å; K101-M105 PolarHBondContact O-N 3.02Å; K102-M105 HydrophobicContact CB-CE 4.44Å; K102-M105 HydrophobicContact CG-CE 4.38Å; Y103-M105 VanDerWaalsContact C-N 3.25Å; Y103-M105 PolarHBondContact O-N 3.3Å; M105-A116 HydrophobicContact CG-CB 3.87Å; M105-A116 VanDerWaalsContact CG-O 3.3Å; M105-A116 WeakPolarHBondContact CG-O 3.49Å
106	L	89.7	Confident	92	Very high	148 Å²	148	66.7 Å²	66.7	78%	0.775	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-13.5	-175.1	-57.7	175	0	0	0	112.8	Y103 D104	Y103-L106 WeakPolarHBondContact O-CB 3.47Å; Y103-L106 PolarHBondContact O-N 2.82Å; D104-L106 PolarHBondContact O-N 3.44Å
107	V	84.8	Confident	92	Very high	50 Å²	50	69 Å²	69	30%	0.303	32%	0.321	S	S	.	.	S	Bend	trans	-108.1	123	-173.2	176.4	0	0	0	0	110.4	D104 R109 T110 K111	D104-V107 PolarHBondContact O-N 2.84Å; V107-R109 HydrophobicContact CG1-CB 4.15Å; V107-R109 PolarHBondContact O-N 3.18Å; V107-T110 WeakPolarHBondContact CB-OG1 3.24Å; V107-T110 PolarHBondContact O-N 3.17Å; V107-T110 PolarHBondContact O-OG1 3.37Å; V107-K111 PolarHBondContact O-N 3.32Å
108	K	88	Confident	91.9	Very high	181 Å²	181	71.3 Å²	71.3	79%	0.787	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.9	-33.8	-177.6	-175.1	179.7	178.2	-177.5	0	114
109	R	86	Confident	91.8	Very high	116 Å²	116	72.4 Å²	72.4	44%	0.438	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-32.2	-179.3	-170.7	-168.9	75	115.2	-5.4	113.6	V107 Y217 T225	V107-R109 HydrophobicContact CG1-CB 4.15Å; V107-R109 PolarHBondContact O-N 3.18Å; R109-Y217 PolarHBondContact NH1-OH 3.34Å; R109-T225 HydrophobicContact CB-CG2 4.41Å
110	T	89.7	Confident	91.9	Very high	3 Å²	3	67.6 Å²	67.6	2%	0.018	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-8.9	-167	50.5	0	0	0	0	113.2	D104 V107 D112 R113	D104-T110 WeakPolarHBondContact CA-OG1 3.48Å; D104-T110 CarbonylContact O-C 3.59Å; D104-T110 VanDerWaalsContact O-C 3.24Å; D104-T110 PolarHBondContact O-OG1 3.07Å; D104-T110 WeakPolarHBondContact OD1-CB 3.45Å; D104-T110 PolarHBondContact OD1-OG1 2.89Å; V107-T110 WeakPolarHBondContact CB-OG1 3.24Å; V107-T110 PolarHBondContact O-N 3.17Å; V107-T110 PolarHBondContact O-OG1 3.37Å; T110-D112 PolarHBondContact O-N 3.32Å; T110-D112 VanDerWaalsContact O-N 3.11Å; T110-R113 VanDerWaalsContact CG2-CZ 3.45Å; T110-R113 VanDerWaalsContact O-CB 3.26Å; T110-R113 WeakPolarHBondContact O-CB 3.43Å; T110-R113 VanDerWaalsContact O-CG 3.28Å; T110-R113 WeakPolarHBondContact O-CG 3.38Å; T110-R113 PolarHBondContact O-N 2.89Å
111	K	91	Very high	92	Very high	97 Å²	97	70.4 Å²	70.4	42%	0.422	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-28.9	178.5	65.9	171.9	-170.6	164.6	0	113.3	D104 V107 R113 S117	D104-K111 WeakPolarHBondContact O-CA 3.5Å; D104-K111 PolarHBondContact O-N 3.22Å; V107-K111 PolarHBondContact O-N 3.32Å; K111-R113 VanDerWaalsContact C-N 3.32Å; K111-S117 PolarHBondContact O-N 3.03Å
112	D	92.5	Very high	92.2	Very high	107 Å²	107	71.6 Å²	71.6	57%	0.572	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-3.1	-177.7	-55.9	-44.1	0	0	0	112.6	T110	T110-D112 PolarHBondContact O-N 3.32Å; T110-D112 VanDerWaalsContact O-N 3.11Å
113	R	93.4	Very high	92.4	Very high	49 Å²	49	68.1 Å²	68.1	19%	0.185	36%	0.355	C	S	.	.	S	Bend	trans	-59.7	145.4	176.1	-74.1	178	175.7	176.9	-2.3	110.7	D97 D104 T110 K111 L115 A116 S117	D97-R113 IonicContact OD1-CZ 3.89Å; D97-R113 IonicContact OD1-NH1 3.37Å; D97-R113 PolarHBondContact OD1-NH1 3.25Å; D104-R113 VanDerWaalsContact CG-NH1 3.28Å; D104-R113 IonicContact OD1-CZ 3.99Å; D104-R113 IonicContact OD1-NH1 3.15Å; D104-R113 PolarHBondContact OD1-NH1 3.44Å; D104-R113 VanDerWaalsContact OD1-NH1 3.15Å; D104-R113 VanDerWaalsContact OD2-CD 3.32Å; D104-R113 WeakPolarHBondContact OD2-CD 3.23Å; D104-R113 IonicContact OD2-CZ 3.66Å; D104-R113 IonicContact OD2-NE 3.9Å; D104-R113 IonicContact OD2-NH1 2.7Å; D104-R113 PolarHBondContact OD2-NH1 2.9Å; T110-R113 VanDerWaalsContact CG2-CZ 3.45Å; T110-R113 VanDerWaalsContact O-CB 3.26Å; T110-R113 WeakPolarHBondContact O-CB 3.43Å; T110-R113 VanDerWaalsContact O-CG 3.28Å; T110-R113 WeakPolarHBondContact O-CG 3.38Å; T110-R113 PolarHBondContact O-N 2.89Å; K111-R113 VanDerWaalsContact C-N 3.32Å; R113-L115 VanDerWaalsContact C-N 3.3Å; R113-L115 PolarHBondContact O-N 3.25Å; R113-A116 HydrophobicContact CB-CB 4.27Å; R113-A116 WeakPolarHBondContact O-CA 3.39Å; R113-A116 PolarHBondContact O-N 2.93Å; R113-S117 PolarHBondContact O-N 3.04Å; R113-S117 PolarHBondContact O-OG 2.98Å; R113-S117 VanDerWaalsContact O-OG 3.08Å
114	P	95.3	Very high	92.7	Very high	3 Å²	3	64.7 Å²	64.7	2%	0.019	34%	0.343	C	S	.	.	H	α-helix	trans	-52.4	-39.6	-171	-31.5	35.8	0	0	0	116.2	S39 E42 L43 S117 G118 S119 L120	S39-P114 VanDerWaalsContact O-CG 3.24Å; S39-P114 WeakPolarHBondContact O-CG 3.46Å; E42-P114 HydrophobicContact CB-CG 3.86Å; L43-P114 HydrophobicContact CB-CB 4.48Å; L43-P114 HydrophobicContact CB-CG 4.21Å; P114-S117 PolarHBondContact O-OG 3.16Å; P114-G118 CarbonylContact O-C 3.57Å; P114-G118 PolarHBondContact O-N 2.87Å; P114-S119 VanDerWaalsContact CA-OG 3.22Å; P114-S119 WeakPolarHBondContact CA-OG 3.18Å; P114-S119 WeakPolarHBondContact CB-OG 3.26Å; P114-S119 PolarHBondContact O-N 3.47Å; P114-S119 PolarHBondContact O-OG 3.11Å; P114-L120 HydrophobicContact CB-CB 4.28Å; P114-L120 HydrophobicContact CB-CD1 3.82Å; P114-L120 HydrophobicContact CB-CG 4.07Å; P114-L120 PolarHBondContact O-N 3.07Å
115	L	95.8	Very high	93.1	Very high	1 Å²	1	64 Å²	64	1%	0.005	34%	0.34	C	S	.	.	H	α-helix	trans	-78.5	-30.4	177.8	-80.6	171.9	0	0	0	113.6	L43 D97 M98 K101 R113 A125	L43-L115 HydrophobicContact CD1-CD1 4.04Å; L43-L115 HydrophobicContact CD1-CG 4.35Å; D97-L115 HydrophobicContact CB-CD1 3.9Å; M98-L115 HydrophobicContact CB-CD1 4.39Å; M98-L115 HydrophobicContact CG-CD1 3.66Å; K101-L115 WeakPolarHBondContact CE-O 3.33Å; R113-L115 VanDerWaalsContact C-N 3.3Å; R113-L115 PolarHBondContact O-N 3.25Å; L115-A125 HydrophobicContact CD1-CB 3.84Å; L115-A125 HydrophobicContact CD2-CB 3.76Å; L115-A125 HydrophobicContact CG-CB 4.13Å
116	A	94.6	Very high	93.4	Very high	12 Å²	12	64 Å²	64	10%	0.099	34%	0.341	C	S	.	.	H	α-helix	trans	-78.6	-41.6	179	0	0	0	0	0	111.4	D104 M105 R113 G118	D104-A116 HydrophobicContact CB-CB 3.88Å; M105-A116 HydrophobicContact CG-CB 3.87Å; M105-A116 VanDerWaalsContact CG-O 3.3Å; M105-A116 WeakPolarHBondContact CG-O 3.49Å; R113-A116 HydrophobicContact CB-CB 4.27Å; R113-A116 WeakPolarHBondContact O-CA 3.39Å; R113-A116 PolarHBondContact O-N 2.93Å; A116-G118 VanDerWaalsContact C-N 3.27Å; A116-G118 PolarHBondContact O-N 2.93Å
117	S	94.2	Very high	93.8	Very high	65 Å²	65	62.4 Å²	62.4	46%	0.455	33%	0.333	S	S	.	.	H	α-helix	trans	-74.6	-17.7	176.5	64.3	0	0	0	0	113.3	K111 R113 P114 S119	K111-S117 PolarHBondContact O-N 3.03Å; R113-S117 PolarHBondContact O-N 3.04Å; R113-S117 PolarHBondContact O-OG 2.98Å; R113-S117 VanDerWaalsContact O-OG 3.08Å; P114-S117 PolarHBondContact O-OG 3.16Å; S117-S119 PolarHBondContact OG-N 3.36Å
118	G	94.1	Very high	94.4	Very high	50 Å²	50	61.6 Å²	61.6	52%	0.515	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.1	12.1	-177	0	0	0	0	0	114.1	P114 A116 L120	P114-G118 CarbonylContact O-C 3.57Å; P114-G118 PolarHBondContact O-N 2.87Å; A116-G118 VanDerWaalsContact C-N 3.27Å; A116-G118 PolarHBondContact O-N 2.93Å; G118-L120 PolarHBondContact O-N 3.22Å
119	S	93.6	Very high	94.9	Very high	52 Å²	52	53.9 Å²	53.9	36%	0.364	29%	0.292	S	S	.	.	S	Bend	trans	-65.3	-25.5	172.9	79.1	0	0	0	0	112.5	S39 P114 S117	S39-S119 PolarHBondContact OG-OG 3.36Å; S39-S119 VanDerWaalsContact OG-OG 3.04Å; P114-S119 VanDerWaalsContact CA-OG 3.22Å; P114-S119 WeakPolarHBondContact CA-OG 3.18Å; P114-S119 WeakPolarHBondContact CB-OG 3.26Å; P114-S119 PolarHBondContact O-N 3.47Å; P114-S119 PolarHBondContact O-OG 3.11Å; S117-S119 PolarHBondContact OG-N 3.36Å
120	L	95.7	Very high	95.5	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	29%	0.292	C	S	.	.	S	Bend	trans	-120.9	139.9	167.7	-69.3	175.1	0	0	0	111.1	L36 Y40 L43 P114 G118 Q124	L36-L120 HydrophobicContact CD1-CD2 3.53Å; Y40-L120 HydrophobicContact CD1-CD1 3.84Å; Y40-L120 HydrophobicContact CD1-CD2 4.36Å; Y40-L120 HydrophobicContact CD2-CD2 4.42Å; Y40-L120 HydrophobicContact CE1-CD1 3.98Å; Y40-L120 HydrophobicContact CE1-CD2 3.9Å; Y40-L120 HydrophobicContact CE2-CD2 3.99Å; Y40-L120 HydrophobicContact CG-CD1 4.32Å; L43-L120 HydrophobicContact CB-CD1 4.23Å; L43-L120 HydrophobicContact CD2-CD1 3.69Å; P114-L120 HydrophobicContact CB-CB 4.28Å; P114-L120 HydrophobicContact CB-CD1 3.82Å; P114-L120 HydrophobicContact CB-CG 4.07Å; P114-L120 PolarHBondContact O-N 3.07Å; G118-L120 PolarHBondContact O-N 3.22Å; L120-Q124 HydrophobicContact CD2-CB 4.29Å
121	T	96	Very high	95.9	Very high	71 Å²	71	54.5 Å²	54.5	44%	0.436	31%	0.314	S	S	.	.			trans	-80.9	160.4	171.6	64.4	0	0	0	0	111	Q124 A125	T121-Q124 WeakPolarHBondContact O-CB 3.5Å; T121-Q124 PolarHBondContact O-N 2.89Å; T121-Q124 WeakPolarHBondContact OG1-CB 3.24Å; T121-Q124 VanDerWaalsContact OG1-CG 3.24Å; T121-Q124 WeakPolarHBondContact OG1-CG 3.25Å; T121-Q124 PolarHBondContact OG1-N 3.46Å; T121-Q124 PolarHBondContact OG1-OE1 3.46Å; T121-A125 PolarHBondContact O-N 3Å; T121-A125 VanDerWaalsContact O-N 3.1Å
122	F	96.6	Very high	96.2	Very high	98 Å²	98	50.1 Å²	50.1	43%	0.43	30%	0.295	S	S	.	.	H	α-helix	trans	-61.1	-42.9	177.9	-170.3	-87.2	0	0	0	113.1	M98 Q124 A125 L126	M98-F122 HydrophobicContact CB-CE2 4.01Å; M98-F122 HydrophobicContact CE-CD1 4.45Å; M98-F122 HydrophobicContact CE-CD2 4.28Å; M98-F122 HydrophobicContact CE-CE1 3.76Å; M98-F122 HydrophobicContact CE-CE2 3.56Å; M98-F122 HydrophobicContact CE-CZ 3.26Å; M98-F122 HydrophobicContact CG-CE2 4.15Å; F122-Q124 VanDerWaalsContact C-N 3.31Å; F122-Q124 PolarHBondContact O-N 3.01Å; F122-A125 PolarHBondContact O-N 3.35Å; F122-L126 PolarHBondContact O-N 3.19Å
123	P	97.4	Very high	96.5	Very high	90 Å²	90	47.8 Å²	47.8	58%	0.584	28%	0.282	S	S	*	.	H	α-helix	trans	-60.7	-36.1	174.1	-25.7	36.3	0	0	0	113.9	L126 L127	P123-L126 PolarHBondContact O-N 2.93Å; P123-L127 WeakPolarHBondContact O-CB 3.35Å; P123-L127 PolarHBondContact O-N 3.06Å
124	Q	97.3	Very high	96.7	Very high	61 Å²	61	48 Å²	48	29%	0.285	30%	0.295	S	S	.	.	H	α-helix	trans	-65	-43.4	175.7	-77.3	168.6	-34	0	0	111.9	Y40 L120 T121 F122 L127 F128	Y40-Q124 WeakPolarHBondContact OH-CB 3.46Å; L120-Q124 HydrophobicContact CD2-CB 4.29Å; T121-Q124 WeakPolarHBondContact O-CB 3.5Å; T121-Q124 PolarHBondContact O-N 2.89Å; T121-Q124 WeakPolarHBondContact OG1-CB 3.24Å; T121-Q124 VanDerWaalsContact OG1-CG 3.24Å; T121-Q124 WeakPolarHBondContact OG1-CG 3.25Å; T121-Q124 PolarHBondContact OG1-N 3.46Å; T121-Q124 PolarHBondContact OG1-OE1 3.46Å; F122-Q124 VanDerWaalsContact C-N 3.31Å; F122-Q124 PolarHBondContact O-N 3.01Å; Q124-L127 PolarHBondContact O-N 3.36Å; Q124-F128 WeakPolarHBondContact O-CB 3.3Å; Q124-F128 PolarHBondContact O-N 3.4Å
125	A	97.6	Very high	96.8	Very high	0 Å²	0	51 Å²	51	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-65.8	-37.7	174.4	0	0	0	0	0	112.3	L43 T94 M98 L115 T121 F122 F128 L129	L43-A125 HydrophobicContact CD2-CB 3.96Å; T94-A125 HydrophobicContact CG2-CB 4.26Å; M98-A125 HydrophobicContact CG-CB 4.23Å; M98-A125 HydrophobicContact SD-CB 4.35Å; L115-A125 HydrophobicContact CD1-CB 3.84Å; L115-A125 HydrophobicContact CD2-CB 3.76Å; L115-A125 HydrophobicContact CG-CB 4.13Å; T121-A125 PolarHBondContact O-N 3Å; T121-A125 VanDerWaalsContact O-N 3.1Å; F122-A125 PolarHBondContact O-N 3.35Å; A125-F128 PolarHBondContact O-N 3.27Å; A125-L129 WeakPolarHBondContact O-CB 3.24Å; A125-L129 PolarHBondContact O-N 2.9Å
126	L	97.9	Very high	96.9	Very high	89 Å²	89	51.5 Å²	51.5	47%	0.466	32%	0.317	S	S	.	.	H	α-helix	trans	-64.2	-43.5	175.9	-177.6	58.8	0	0	0	112	M98 F122 P123 L129 A130	M98-L126 HydrophobicContact CE-CB 4.33Å; M98-L126 HydrophobicContact CE-CD1 4.23Å; F122-L126 PolarHBondContact O-N 3.19Å; P123-L126 PolarHBondContact O-N 2.93Å; L126-L129 PolarHBondContact O-N 3.25Å; L126-A130 WeakPolarHBondContact O-CB 3.4Å; L126-A130 PolarHBondContact O-N 3.47Å
127	L	98	Very high	97.1	Very high	114 Å²	114	54.8 Å²	54.8	60%	0.597	33%	0.332	S	S	*	.	H	α-helix	trans	-61.9	-44.2	174.6	179.1	62.2	0	0	0	111.2	P123 Q124 L129 A130 V131	P123-L127 WeakPolarHBondContact O-CB 3.35Å; P123-L127 PolarHBondContact O-N 3.06Å; Q124-L127 PolarHBondContact O-N 3.36Å; L127-L129 VanDerWaalsContact C-N 3.34Å; L127-L129 PolarHBondContact O-N 2.86Å; L127-A130 PolarHBondContact O-N 2.88Å; L127-V131 WeakPolarHBondContact O-CG2 3.22Å; L127-V131 PolarHBondContact O-N 3.42Å
128	F	97.9	Very high	97.3	Very high	34 Å²	34	56.1 Å²	56.1	15%	0.149	34%	0.337	C	S	.	.	H	α-helix	trans	-61.1	-43	176.8	-176.6	-125.4	0	0	0	112.2	Y40 L43 F46 T94 Q124 A125 V131 Q132	Y40-F128 HydrophobicContact CD1-CB 3.99Å; Y40-F128 HydrophobicContact CD1-CD1 4.07Å; Y40-F128 AromaticContact CD1-CD2 3.79Å; Y40-F128 HydrophobicContact CD1-CD2 3.79Å; Y40-F128 HydrophobicContact CD1-CE1 4.39Å; Y40-F128 HydrophobicContact CD1-CE2 4.18Å; Y40-F128 AromaticContact CD1-CG 3.71Å; Y40-F128 HydrophobicContact CD1-CG 3.71Å; Y40-F128 HydrophobicContact CD1-CZ 4.45Å; Y40-F128 HydrophobicContact CE1-CB 3.86Å; Y40-F128 HydrophobicContact CE1-CD2 4.36Å; Y40-F128 HydrophobicContact CE1-CG 4.12Å; Y40-F128 HydrophobicContact CG-CD2 4.5Å; Y40-F128 WeakPolarHBondContact O-CZ 3.28Å; L43-F128 HydrophobicContact CB-CE1 4.27Å; L43-F128 HydrophobicContact CD2-CD1 3.7Å; L43-F128 HydrophobicContact CD2-CE1 4.11Å; L43-F128 HydrophobicContact CG-CD1 4.19Å; L43-F128 HydrophobicContact CG-CE1 4.15Å; F46-F128 AromaticContact CE2-CZ 3.96Å; F46-F128 HydrophobicContact CE2-CZ 3.96Å; F46-F128 HydrophobicContact CZ-CZ 4.34Å; T94-F128 HydrophobicContact CG2-CD1 4.4Å; Q124-F128 WeakPolarHBondContact O-CB 3.3Å; Q124-F128 PolarHBondContact O-N 3.4Å; A125-F128 PolarHBondContact O-N 3.27Å; F128-V131 PolarHBondContact O-N 2.94Å; F128-Q132 VanDerWaalsContact CD1-NE2 3.34Å; F128-Q132 VanDerWaalsContact O-CG 3.28Å; F128-Q132 WeakPolarHBondContact O-CG 3.4Å; F128-Q132 PolarHBondContact O-N 2.93Å
129	L	98.1	Very high	97.4	Very high	18 Å²	18	54.8 Å²	54.8	9%	0.094	32%	0.318	C	S	.	.	H	α-helix	trans	-60.6	-45.8	173.4	178.1	60.5	0	0	0	111.4	A91 T94 I95 M98 A125 L126 L127 V131 Q132 L133	A91-L129 HydrophobicContact CB-CD1 3.8Å; T94-L129 HydrophobicContact CG2-CB 3.91Å; I95-L129 HydrophobicContact CD1-CD1 4.04Å; I95-L129 HydrophobicContact CD1-CD2 4.43Å; I95-L129 HydrophobicContact CG1-CD1 3.74Å; I95-L129 HydrophobicContact CG1-CD2 3.69Å; I95-L129 HydrophobicContact CG1-CG 4.39Å; M98-L129 HydrophobicContact SD-CD2 4.09Å; A125-L129 WeakPolarHBondContact O-CB 3.24Å; A125-L129 PolarHBondContact O-N 2.9Å; L126-L129 PolarHBondContact O-N 3.25Å; L127-L129 VanDerWaalsContact C-N 3.34Å; L127-L129 PolarHBondContact O-N 2.86Å; L129-V131 VanDerWaalsContact C-N 3.33Å; L129-V131 PolarHBondContact O-N 3.39Å; L129-Q132 PolarHBondContact O-N 3.05Å; L129-L133 HydrophobicContact CD1-CD1 3.93Å; L129-L133 HydrophobicContact CD1-CD2 4.49Å; L129-L133 HydrophobicContact CD1-CG 3.96Å; L129-L133 HydrophobicContact CG-CD1 3.95Å; L129-L133 HydrophobicContact CG-CG 4.35Å; L129-L133 WeakPolarHBondContact O-CG 3.31Å; L129-L133 PolarHBondContact O-N 3.14Å
130	A	98.2	Very high	97.6	Very high	51 Å²	51	53.5 Å²	53.5	42%	0.421	31%	0.307	S	S	.	.	H	α-helix	trans	-60.1	-42.8	178.9	0	0	0	0	0	111.8	L126 L127 L133 A134	L126-A130 WeakPolarHBondContact O-CB 3.4Å; L126-A130 PolarHBondContact O-N 3.47Å; L127-A130 PolarHBondContact O-N 2.88Å; A130-L133 PolarHBondContact O-N 3.17Å; A130-A134 VanDerWaalsContact O-CB 3.23Å; A130-A134 WeakPolarHBondContact O-CB 3.38Å; A130-A134 PolarHBondContact O-N 3.36Å
131	V	98.2	Very high	97.7	Very high	81 Å²	81	58 Å²	58	49%	0.491	33%	0.331	S	S	.	.	H	α-helix	trans	-62.4	-44.9	175.3	172.2	0	0	0	0	111.1	L127 F128 L129 A134 T135	L127-V131 WeakPolarHBondContact O-CG2 3.22Å; L127-V131 PolarHBondContact O-N 3.42Å; F128-V131 PolarHBondContact O-N 2.94Å; L129-V131 VanDerWaalsContact C-N 3.33Å; L129-V131 PolarHBondContact O-N 3.39Å; V131-A134 PolarHBondContact O-N 3.11Å; V131-T135 WeakPolarHBondContact O-CB 3.41Å; V131-T135 PolarHBondContact O-N 2.71Å; V131-T135 PolarHBondContact O-OG1 2.72Å
132	Q	98	Very high	97.8	Very high	5 Å²	5	58.9 Å²	58.9	2%	0.023	33%	0.33	C	S	.	.	H	α-helix	trans	-61.6	-45.9	178	-70.7	162.5	-17.1	0	0	112.3	S90 A91 T94 F128 L129 S136	S90-Q132 PolarHBondContact OG-NE2 3.36Å; A91-Q132 HydrophobicContact CB-CB 4.08Å; T94-Q132 PolarHBondContact OG1-OE1 2.92Å; F128-Q132 VanDerWaalsContact CD1-NE2 3.34Å; F128-Q132 VanDerWaalsContact O-CG 3.28Å; F128-Q132 WeakPolarHBondContact O-CG 3.4Å; F128-Q132 PolarHBondContact O-N 2.93Å; L129-Q132 PolarHBondContact O-N 3.05Å; Q132-S136 VanDerWaalsContact O-CB 3.31Å; Q132-S136 WeakPolarHBondContact O-CB 3.45Å; Q132-S136 PolarHBondContact O-N 2.9Å; Q132-S136 PolarHBondContact O-OG 3.01Å
133	L	97.8	Very high	97.8	Very high	58 Å²	58	55.2 Å²	55.2	30%	0.304	32%	0.315	S	S	.	.	H	α-helix	trans	-68.5	-39.7	179.8	-67.4	178.4	0	0	0	111.6	M88 A91 L129 A130 S136 L137 L155	M88-L133 HydrophobicContact SD-CD2 4.15Å; A91-L133 HydrophobicContact CB-CD2 4.05Å; L129-L133 HydrophobicContact CD1-CD1 3.93Å; L129-L133 HydrophobicContact CD1-CD2 4.49Å; L129-L133 HydrophobicContact CD1-CG 3.96Å; L129-L133 HydrophobicContact CG-CD1 3.95Å; L129-L133 HydrophobicContact CG-CG 4.35Å; L129-L133 WeakPolarHBondContact O-CG 3.31Å; L129-L133 PolarHBondContact O-N 3.14Å; A130-L133 PolarHBondContact O-N 3.17Å; L133-S136 PolarHBondContact O-N 2.9Å; L133-L137 VanDerWaalsContact O-CB 3.31Å; L133-L137 WeakPolarHBondContact O-CB 3.46Å; L133-L137 PolarHBondContact O-N 3.5Å; L133-L155 HydrophobicContact CD2-CD2 4.31Å
134	A	98.1	Very high	97.9	Very high	55 Å²	55	53.2 Å²	53.2	46%	0.455	30%	0.299	S	S	.	.	H	α-helix	trans	-62.8	-46.6	175.8	0	0	0	0	0	111.6	A130 V131 S136 L137 V138	A130-A134 VanDerWaalsContact O-CB 3.23Å; A130-A134 WeakPolarHBondContact O-CB 3.38Å; A130-A134 PolarHBondContact O-N 3.36Å; V131-A134 PolarHBondContact O-N 3.11Å; A134-S136 VanDerWaalsContact C-N 3.34Å; A134-S136 PolarHBondContact O-N 3.15Å; A134-L137 WeakPolarHBondContact O-CB 3.05Å; A134-L137 PolarHBondContact O-N 3.39Å; A134-V138 PolarHBondContact O-N 3.08Å; A134-V138 VanDerWaalsContact O-N 3.11Å
135	T	98.1	Very high	97.9	Very high	64 Å²	64	60.1 Å²	60.1	39%	0.393	32%	0.323	S	S	.	.	H	α-helix	trans	-65.3	-39.1	176.4	-53.2	0	0	0	0	111.5	L87 V131 L137 V138 I139	L87-T135 HydrophobicContact CD1-CG2 3.57Å; L87-T135 HydrophobicContact CD2-CG2 4.46Å; V131-T135 WeakPolarHBondContact O-CB 3.41Å; V131-T135 PolarHBondContact O-N 2.71Å; V131-T135 PolarHBondContact O-OG1 2.72Å; T135-L137 VanDerWaalsContact C-N 3.3Å; T135-L137 PolarHBondContact O-N 3.06Å; T135-V138 PolarHBondContact O-N 3.48Å; T135-I139 PolarHBondContact O-N 3.28Å
136	S	97.8	Very high	97.9	Very high	12 Å²	12	64.7 Å²	64.7	8%	0.084	34%	0.341	C	S	.	.	H	α-helix	trans	-65.3	-34.7	175.1	-56.5	0	0	0	0	112	L87 Q132 L133 A134 I139 L140	L87-S136 WeakPolarHBondContact CB-OG 3.38Å; Q132-S136 VanDerWaalsContact O-CB 3.31Å; Q132-S136 WeakPolarHBondContact O-CB 3.45Å; Q132-S136 PolarHBondContact O-N 2.9Å; Q132-S136 PolarHBondContact O-OG 3.01Å; L133-S136 PolarHBondContact O-N 2.9Å; A134-S136 VanDerWaalsContact C-N 3.34Å; A134-S136 PolarHBondContact O-N 3.15Å; S136-I139 WeakPolarHBondContact O-CB 3.44Å; S136-I139 PolarHBondContact O-N 3.42Å; S136-L140 WeakPolarHBondContact O-CB 3.42Å; S136-L140 PolarHBondContact O-N 3.26Å
137	L	97.8	Very high	97.9	Very high	82 Å²	82	60.5 Å²	60.5	43%	0.429	32%	0.318	S	S	.	.	H	α-helix	trans	-64.9	-40.6	175.2	180	62.6	0	0	0	111.4	L133 A134 T135 I139 L140 L141	L133-L137 VanDerWaalsContact O-CB 3.31Å; L133-L137 WeakPolarHBondContact O-CB 3.46Å; L133-L137 PolarHBondContact O-N 3.5Å; A134-L137 WeakPolarHBondContact O-CB 3.05Å; A134-L137 PolarHBondContact O-N 3.39Å; T135-L137 VanDerWaalsContact C-N 3.3Å; T135-L137 PolarHBondContact O-N 3.06Å; L137-I139 PolarHBondContact O-N 3.36Å; L137-L140 HydrophobicContact CD1-CD2 4.45Å; L137-L140 PolarHBondContact O-N 3.26Å; L137-L140 VanDerWaalsContact O-N 3.12Å; L137-L141 HydrophobicContact CD1-CD1 4.36Å; L137-L141 HydrophobicContact CD1-CD2 4.45Å; L137-L141 HydrophobicContact CD1-CG 4.1Å; L137-L141 HydrophobicContact CG-CD1 4.09Å; L137-L141 HydrophobicContact CG-CG 4.29Å; L137-L141 WeakPolarHBondContact O-CB 3.49Å; L137-L141 VanDerWaalsContact O-CG 3.27Å; L137-L141 WeakPolarHBondContact O-CG 3.37Å; L137-L141 PolarHBondContact O-N 3.01Å
138	V	98.2	Very high	97.9	Very high	92 Å²	92	55.4 Å²	55.4	56%	0.558	29%	0.292	S	S	*	.	H	α-helix	trans	-59.8	-36.3	174.3	174.3	0	0	0	0	111.6	A134 T135 Q142	A134-V138 PolarHBondContact O-N 3.08Å; A134-V138 VanDerWaalsContact O-N 3.11Å; T135-V138 PolarHBondContact O-N 3.48Å; V138-Q142 PolarHBondContact O-NE2 2.61Å; V138-Q142 VanDerWaalsContact O-NE2 3.11Å
139	I	97.9	Very high	97.9	Very high	23 Å²	23	60.2 Å²	60.2	12%	0.118	31%	0.313	C	S	.	.	H	α-helix	trans	-69.2	-46.1	173.4	-64.2	172.9	0	0	0	110.4	L80 V83 L87 T135 S136 L137 L141 Q142	L80-I139 HydrophobicContact CB-CG2 4.15Å; L80-I139 HydrophobicContact CD2-CG2 4.21Å; V83-I139 HydrophobicContact CB-CD1 4.04Å; V83-I139 HydrophobicContact CG1-CD1 3.6Å; L87-I139 HydrophobicContact CD1-CD1 3.69Å; T135-I139 PolarHBondContact O-N 3.28Å; S136-I139 WeakPolarHBondContact O-CB 3.44Å; S136-I139 PolarHBondContact O-N 3.42Å; L137-I139 PolarHBondContact O-N 3.36Å; I139-L141 VanDerWaalsContact C-N 3.3Å; I139-L141 PolarHBondContact O-N 2.99Å; I139-Q142 WeakPolarHBondContact O-CB 3.09Å; I139-Q142 PolarHBondContact O-N 3.06Å; I139-Q142 VanDerWaalsContact O-N 3.11Å
140	L	97.8	Very high	97.9	Very high	24 Å²	24	60.2 Å²	60.2	13%	0.126	31%	0.313	C	S	.	.	H	α-helix	trans	-60.4	-39.9	-178.7	-175.3	62.3	0	0	0	112.2	S136 L137 Q142 L143 V148 I152 L185	S136-L140 WeakPolarHBondContact O-CB 3.42Å; S136-L140 PolarHBondContact O-N 3.26Å; L137-L140 HydrophobicContact CD1-CD2 4.45Å; L137-L140 PolarHBondContact O-N 3.26Å; L137-L140 VanDerWaalsContact O-N 3.12Å; L140-Q142 PolarHBondContact O-N 3.39Å; L140-L143 HydrophobicContact CD1-CD1 4.15Å; L140-L143 WeakPolarHBondContact O-CB 3.49Å; L140-L143 PolarHBondContact O-N 3.43Å; L140-V148 HydrophobicContact CD2-CG1 4.45Å; L140-V148 HydrophobicContact CG-CB 4.49Å; L140-V148 HydrophobicContact CG-CG1 4.43Å; L140-V148 HydrophobicContact CG-CG2 4.38Å; L140-V148 WeakPolarHBondContact O-CG2 3.11Å; L140-I152 HydrophobicContact CD2-CG1 4.26Å; L140-L185 HydrophobicContact CD1-CD1 4.37Å
141	L	97.8	Very high	97.8	Very high	96 Å²	96	58 Å²	58	50%	0.503	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-9.6	178.7	-69	175	0	0	0	114.1	L137 I139 L143 V148	L137-L141 HydrophobicContact CD1-CD1 4.36Å; L137-L141 HydrophobicContact CD1-CD2 4.45Å; L137-L141 HydrophobicContact CD1-CG 4.1Å; L137-L141 HydrophobicContact CG-CD1 4.09Å; L137-L141 HydrophobicContact CG-CG 4.29Å; L137-L141 WeakPolarHBondContact O-CB 3.49Å; L137-L141 VanDerWaalsContact O-CG 3.27Å; L137-L141 WeakPolarHBondContact O-CG 3.37Å; L137-L141 PolarHBondContact O-N 3.01Å; I139-L141 VanDerWaalsContact C-N 3.3Å; I139-L141 PolarHBondContact O-N 2.99Å; L141-L143 VanDerWaalsContact C-N 3.3Å; L141-V148 HydrophobicContact CD2-CG1 4.41Å
142	Q	97.5	Very high	97.8	Very high	89 Å²	89	58.6 Å²	58.6	42%	0.416	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-8.8	170.6	-68.3	170.6	72	0	0	112.6	Y76 L80 V138 I139 L140	Y76-Q142 PolarHBondContact OH-OE1 2.99Å; L80-Q142 HydrophobicContact CD1-CB 4.25Å; V138-Q142 PolarHBondContact O-NE2 2.61Å; V138-Q142 VanDerWaalsContact O-NE2 3.11Å; I139-Q142 WeakPolarHBondContact O-CB 3.09Å; I139-Q142 PolarHBondContact O-N 3.06Å; I139-Q142 VanDerWaalsContact O-N 3.11Å; L140-Q142 PolarHBondContact O-N 3.39Å
143	L	97.5	Very high	97.7	Very high	22 Å²	22	61.9 Å²	61.9	12%	0.115	31%	0.312	C	S	.	.	S	Bend	trans	-90.3	170.2	176.6	-51.3	-174	0	0	0	111.3	M77 L80 F81 L140 L141 L185 A189	M77-L143 HydrophobicContact CE-CD2 4.33Å; M77-L143 HydrophobicContact SD-CD2 3.83Å; L80-L143 HydrophobicContact CD1-CD2 4Å; F81-L143 HydrophobicContact CE2-CD1 4.08Å; F81-L143 HydrophobicContact CE2-CD2 4.3Å; F81-L143 HydrophobicContact CZ-CD1 4.14Å; L140-L143 HydrophobicContact CD1-CD1 4.15Å; L140-L143 WeakPolarHBondContact O-CB 3.49Å; L140-L143 PolarHBondContact O-N 3.43Å; L141-L143 VanDerWaalsContact C-N 3.3Å; L143-L185 HydrophobicContact CD1-CD1 4.29Å; L143-L185 HydrophobicContact CD1-CG 4.41Å; L143-A189 HydrophobicContact CD1-CB 4.38Å; L143-A189 HydrophobicContact CD2-CB 4.33Å
144	N	97.5	Very high	97.7	Very high	47 Å²	47	59.9 Å²	59.9	25%	0.251	30%	0.304	S	S	.	.			trans	-65.5	155.7	172.4	60.8	72.6	0	0	0	112.2	Y146 S147 V148 S188 A189	N144-Y146 VanDerWaalsContact C-N 3.27Å; N144-Y146 PolarHBondContact O-N 2.93Å; N144-Y146 PolarHBondContact OD1-N 3.46Å; N144-S147 VanDerWaalsContact CG-OG 3.29Å; N144-S147 PolarHBondContact ND2-OG 2.82Å; N144-S147 WeakPolarHBondContact O-CA 3.47Å; N144-S147 WeakPolarHBondContact O-CB 3.2Å; N144-S147 PolarHBondContact O-N 2.96Å; N144-S147 WeakPolarHBondContact OD1-CB 3.42Å; N144-S147 PolarHBondContact OD1-N 3.35Å; N144-S147 PolarHBondContact OD1-OG 3.14Å; N144-V148 PolarHBondContact O-N 3.48Å; N144-S188 PolarHBondContact ND2-O 2.95Å; N144-A189 WeakPolarHBondContact ND2-CA 3.44Å; N144-A189 PolarHBondContact ND2-O 3.24Å
145	W	97.8	Very high	97.5	Very high	206 Å²	206	59.9 Å²	59.9	78%	0.78	30%	0.296	S	S	*	.	H	α-helix	trans	-58.9	-33.2	-175	-74.4	115	0	0	0	114.7	S147 V148 F149	W145-S147 VanDerWaalsContact C-N 3.34Å; W145-V148 HydrophobicContact CE3-CB 4.21Å; W145-V148 HydrophobicContact CE3-CG1 4.24Å; W145-V148 HydrophobicContact CE3-CG2 4.29Å; W145-V148 HydrophobicContact CZ3-CG1 4.3Å; W145-V148 PolarHBondContact O-N 2.85Å; W145-F149 PolarHBondContact O-N 2.99Å
146	Y	98	Very high	97.4	Very high	97 Å²	97	61 Å²	61	38%	0.38	30%	0.302	S	S	.	.	H	α-helix	trans	-63.6	-42.9	174.7	-175	-84.5	0	0	0	111	N144 F149 L150 G192	N144-Y146 VanDerWaalsContact C-N 3.27Å; N144-Y146 PolarHBondContact O-N 2.93Å; N144-Y146 PolarHBondContact OD1-N 3.46Å; Y146-F149 WeakPolarHBondContact O-CB 3.2Å; Y146-F149 PolarHBondContact O-N 2.66Å; Y146-L150 HydrophobicContact CD1-CD1 3.88Å; Y146-L150 HydrophobicContact CD1-CG 4.29Å; Y146-L150 HydrophobicContact CE1-CD1 3.47Å; Y146-L150 VanDerWaalsContact CE1-CD1 3.47Å; Y146-L150 HydrophobicContact CE1-CG 4.04Å; Y146-L150 PolarHBondContact O-N 3.28Å; Y146-L150 VanDerWaalsContact O-N 3.07Å; Y146-G192 WeakPolarHBondContact CB-O 3.44Å
147	S	97.9	Very high	97.3	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-67.7	-38.7	175.1	-56.6	0	0	0	0	112.1	N144 W145 F149 L150 G151 L185 S188 A189	N144-S147 VanDerWaalsContact CG-OG 3.29Å; N144-S147 PolarHBondContact ND2-OG 2.82Å; N144-S147 WeakPolarHBondContact O-CA 3.47Å; N144-S147 WeakPolarHBondContact O-CB 3.2Å; N144-S147 PolarHBondContact O-N 2.96Å; N144-S147 WeakPolarHBondContact OD1-CB 3.42Å; N144-S147 PolarHBondContact OD1-N 3.35Å; N144-S147 PolarHBondContact OD1-OG 3.14Å; W145-S147 VanDerWaalsContact C-N 3.34Å; S147-F149 VanDerWaalsContact C-N 3.3Å; S147-F149 PolarHBondContact O-N 3.16Å; S147-L150 PolarHBondContact O-N 3.18Å; S147-G151 PolarHBondContact O-N 3.41Å; S147-L185 WeakPolarHBondContact O-CD1 3.13Å; S147-S188 WeakPolarHBondContact OG-CB 3.42Å; S147-S188 PolarHBondContact OG-O 3.22Å; S147-S188 PolarHBondContact OG-OG 3.09Å; S147-A189 WeakPolarHBondContact OG-CA 3.45Å; S147-A189 PolarHBondContact OG-N 3.28Å; S147-A189 VanDerWaalsContact OG-N 3.14Å
148	V	98.1	Very high	97.1	Very high	8 Å²	8	58.7 Å²	58.7	5%	0.048	29%	0.291	C	S	.	.	H	α-helix	trans	-56.4	-47	173.2	174.9	0	0	0	0	110.5	L140 L141 N144 W145 G151 I152	L140-V148 HydrophobicContact CD2-CG1 4.45Å; L140-V148 HydrophobicContact CG-CB 4.49Å; L140-V148 HydrophobicContact CG-CG1 4.43Å; L140-V148 HydrophobicContact CG-CG2 4.38Å; L140-V148 WeakPolarHBondContact O-CG2 3.11Å; L141-V148 HydrophobicContact CD2-CG1 4.41Å; N144-V148 PolarHBondContact O-N 3.48Å; W145-V148 HydrophobicContact CE3-CB 4.21Å; W145-V148 HydrophobicContact CE3-CG1 4.24Å; W145-V148 HydrophobicContact CE3-CG2 4.29Å; W145-V148 HydrophobicContact CZ3-CG1 4.3Å; W145-V148 PolarHBondContact O-N 2.85Å; V148-G151 PolarHBondContact O-N 3.44Å; V148-I152 HydrophobicContact CG1-CD1 4.02Å; V148-I152 WeakPolarHBondContact O-CG1 3.22Å; V148-I152 PolarHBondContact O-N 3.3Å
149	F	97.9	Very high	97	Very high	134 Å²	134	58.1 Å²	58.1	59%	0.588	28%	0.284	S	S	*	.	H	α-helix	trans	-60.1	-47.1	176.7	178.4	-101	0	0	0	112.3	W145 Y146 S147 G151 I152 L153	W145-F149 PolarHBondContact O-N 2.99Å; Y146-F149 WeakPolarHBondContact O-CB 3.2Å; Y146-F149 PolarHBondContact O-N 2.66Å; S147-F149 VanDerWaalsContact C-N 3.3Å; S147-F149 PolarHBondContact O-N 3.16Å; F149-G151 VanDerWaalsContact C-N 3.31Å; F149-G151 PolarHBondContact O-N 2.92Å; F149-I152 PolarHBondContact O-N 2.89Å; F149-L153 PolarHBondContact O-N 2.98Å
150	L	97.7	Very high	96.7	Very high	18 Å²	18	59 Å²	59	9%	0.094	29%	0.291	C	S	.	.	H	α-helix	trans	-62	-36.7	175.8	-72.7	-178.4	0	0	0	113	Y146 S147 L153 S154 W181 W184 L185	Y146-L150 HydrophobicContact CD1-CD1 3.88Å; Y146-L150 HydrophobicContact CD1-CG 4.29Å; Y146-L150 HydrophobicContact CE1-CD1 3.47Å; Y146-L150 VanDerWaalsContact CE1-CD1 3.47Å; Y146-L150 HydrophobicContact CE1-CG 4.04Å; Y146-L150 PolarHBondContact O-N 3.28Å; Y146-L150 VanDerWaalsContact O-N 3.07Å; S147-L150 PolarHBondContact O-N 3.18Å; L150-L153 PolarHBondContact O-N 2.98Å; L150-S154 PolarHBondContact O-N 3.4Å; L150-W181 PolarHBondContact O-NE1 2.93Å; L150-W184 HydrophobicContact CD1-CB 4.15Å; L150-L185 HydrophobicContact CB-CD1 4.12Å
151	G	97.3	Very high	96.4	Very high	6 Å²	6	59.7 Å²	59.7	6%	0.062	29%	0.292	C	S	.	.	H	α-helix	trans	-65.7	-43.7	176.4	0	0	0	0	0	112	S147 V148 F149 L153 S154	S147-G151 PolarHBondContact O-N 3.41Å; V148-G151 PolarHBondContact O-N 3.44Å; F149-G151 VanDerWaalsContact C-N 3.31Å; F149-G151 PolarHBondContact O-N 2.92Å; G151-L153 VanDerWaalsContact C-N 3.33Å; G151-L153 PolarHBondContact O-N 3.49Å; G151-S154 WeakPolarHBondContact O-CB 3.26Å; G151-S154 PolarHBondContact O-N 3.24Å; G151-S154 PolarHBondContact O-OG 3.24Å
152	I	97	Very high	96.1	Very high	93 Å²	93	55.2 Å²	55.2	48%	0.477	27%	0.269	S	S	.	.	H	α-helix	trans	-62.2	-43.3	173.8	-66.3	167.1	0	0	0	110.4	L140 V148 F149 S154 L155	L140-I152 HydrophobicContact CD2-CG1 4.26Å; V148-I152 HydrophobicContact CG1-CD1 4.02Å; V148-I152 WeakPolarHBondContact O-CG1 3.22Å; V148-I152 PolarHBondContact O-N 3.3Å; F149-I152 PolarHBondContact O-N 2.89Å; I152-S154 PolarHBondContact O-N 2.81Å; I152-L155 VanDerWaalsContact O-CB 3.31Å; I152-L155 WeakPolarHBondContact O-CB 3.1Å; I152-L155 WeakPolarHBondContact O-CG 3.19Å; I152-L155 PolarHBondContact O-N 3.07Å; I152-L155 VanDerWaalsContact O-N 3.07Å
153	L	97	Very high	95.7	Very high	73 Å²	73	54.2 Å²	54.2	38%	0.382	27%	0.266	S	S	.	.	H	α-helix	trans	-61.6	-31.4	179	-172.6	58.1	0	0	0	112.5	F149 L150 G151 L155 V156 P157 W181	F149-L153 PolarHBondContact O-N 2.98Å; L150-L153 PolarHBondContact O-N 2.98Å; G151-L153 VanDerWaalsContact C-N 3.33Å; G151-L153 PolarHBondContact O-N 3.49Å; L153-L155 PolarHBondContact O-N 3.31Å; L153-V156 HydrophobicContact CD1-CG2 4.43Å; L153-V156 PolarHBondContact O-N 2.96Å; L153-P157 WeakPolarHBondContact O-CD 3.39Å; L153-W181 HydrophobicContact CB-CZ2 4.19Å; L153-W181 HydrophobicContact CD2-CH2 4.32Å; L153-W181 HydrophobicContact CD2-CZ2 3.84Å; L153-W181 HydrophobicContact CG-CH2 4.24Å; L153-W181 HydrophobicContact CG-CZ2 3.73Å
154	S	96.3	Very high	95.2	Very high	17 Å²	17	56.9 Å²	56.9	12%	0.119	28%	0.277	C	S	.	.	H	α-helix	trans	-61	-22.3	176	85	0	0	0	0	113.8	L150 G151 I152 V156 P157 V158	L150-S154 PolarHBondContact O-N 3.4Å; G151-S154 WeakPolarHBondContact O-CB 3.26Å; G151-S154 PolarHBondContact O-N 3.24Å; G151-S154 PolarHBondContact O-OG 3.24Å; I152-S154 PolarHBondContact O-N 2.81Å; S154-V156 PolarHBondContact O-N 3.15Å; S154-P157 WeakPolarHBondContact O-CD 3.38Å; S154-P157 VanDerWaalsContact O-CG 3.26Å; S154-P157 WeakPolarHBondContact O-CG 3.08Å; S154-V158 VanDerWaalsContact O-CG2 3.25Å; S154-V158 WeakPolarHBondContact O-CG2 3.16Å; S154-V158 PolarHBondContact O-N 3.05Å
155	L	95.7	Very high	94.5	Very high	55 Å²	55	58.2 Å²	58.2	29%	0.288	28%	0.28	S	S	.	.	H	α-helix	trans	-65.8	-28.4	178.6	-63.5	178.2	0	0	0	112.1	M88 L133 I152 L153 V158 I159	M88-L155 HydrophobicContact CE-CD2 3.82Å; L133-L155 HydrophobicContact CD2-CD2 4.31Å; I152-L155 VanDerWaalsContact O-CB 3.31Å; I152-L155 WeakPolarHBondContact O-CB 3.1Å; I152-L155 WeakPolarHBondContact O-CG 3.19Å; I152-L155 PolarHBondContact O-N 3.07Å; I152-L155 VanDerWaalsContact O-N 3.07Å; L153-L155 PolarHBondContact O-N 3.31Å; L155-V158 PolarHBondContact O-N 3.47Å; L155-I159 HydrophobicContact CB-CD1 4.24Å; L155-I159 WeakPolarHBondContact O-CB 3.47Å; L155-I159 WeakPolarHBondContact O-CD1 3.31Å; L155-I159 VanDerWaalsContact O-CG1 3.24Å; L155-I159 WeakPolarHBondContact O-CG1 3.38Å; L155-I159 PolarHBondContact O-N 3.05Å
156	V	96	Very high	93.9	Very high	87 Å²	87	52.7 Å²	52.7	53%	0.527	26%	0.259	S	S	.	.	H	α-helix	trans	-60.3	-58.8	179.3	179.6	0	0	0	0	111.2	L153 S154 V158 I159 T160	L153-V156 HydrophobicContact CD1-CG2 4.43Å; L153-V156 PolarHBondContact O-N 2.96Å; S154-V156 PolarHBondContact O-N 3.15Å; V156-V158 VanDerWaalsContact C-N 3.29Å; V156-V158 PolarHBondContact O-N 3.39Å; V156-I159 PolarHBondContact O-N 2.98Å; V156-T160 WeakPolarHBondContact O-CB 3.33Å; V156-T160 WeakPolarHBondContact O-CG2 3.27Å; V156-T160 PolarHBondContact O-N 3.41Å; V156-T160 PolarHBondContact O-OG1 2.97Å
157	P	94.6	Very high	93.3	Very high	21 Å²	21	53.5 Å²	53.5	14%	0.136	27%	0.274	C	S	.	.	H	α-helix	trans	-65.5	-29.9	177.3	25.4	-34.8	0	0	0	113	L153 S154 T160 Y161 T178 W181	L153-P157 WeakPolarHBondContact O-CD 3.39Å; S154-P157 WeakPolarHBondContact O-CD 3.38Å; S154-P157 VanDerWaalsContact O-CG 3.26Å; S154-P157 WeakPolarHBondContact O-CG 3.08Å; P157-T160 WeakPolarHBondContact CA-OG1 3.46Å; P157-Y161 VanDerWaalsContact O-CB 3.25Å; P157-Y161 WeakPolarHBondContact O-CB 3.37Å; P157-Y161 PolarHBondContact O-N 3.15Å; P157-T178 HydrophobicContact CB-CG2 4.38Å; P157-T178 PolarHBondContact O-OG1 3.27Å; P157-W181 HydrophobicContact CG-CE3 4.09Å; P157-W181 HydrophobicContact CG-CZ3 4.21Å
158	V	94.7	Very high	92.5	Very high	25 Å²	25	55.8 Å²	55.8	15%	0.152	29%	0.288	C	S	.	.	H	α-helix	trans	-65.8	-47	177.3	170.8	0	0	0	0	111.8	I95 S154 L155 V156 T178	I95-V158 HydrophobicContact CD1-CG1 4.05Å; S154-V158 VanDerWaalsContact O-CG2 3.25Å; S154-V158 WeakPolarHBondContact O-CG2 3.16Å; S154-V158 PolarHBondContact O-N 3.05Å; L155-V158 PolarHBondContact O-N 3.47Å; V156-V158 VanDerWaalsContact C-N 3.29Å; V156-V158 PolarHBondContact O-N 3.39Å; V158-T178 HydrophobicContact CB-CG2 4.28Å; V158-T178 HydrophobicContact CG2-CG2 3.62Å
159	I	94.4	Very high	91.7	Very high	80 Å²	80	63.2 Å²	63.2	41%	0.41	32%	0.316	S	S	.	.	H	α-helix	trans	-71.9	-36.7	-178.9	-67.6	165.9	0	0	0	111.1	I95 L155 V156 P162	I95-I159 HydrophobicContact CD1-CG1 4.12Å; L155-I159 HydrophobicContact CB-CD1 4.24Å; L155-I159 WeakPolarHBondContact O-CB 3.47Å; L155-I159 WeakPolarHBondContact O-CD1 3.31Å; L155-I159 VanDerWaalsContact O-CG1 3.24Å; L155-I159 WeakPolarHBondContact O-CG1 3.38Å; L155-I159 PolarHBondContact O-N 3.05Å; V156-I159 PolarHBondContact O-N 2.98Å; I159-P162 WeakPolarHBondContact O-CD 2.99Å
160	T	92.7	Very high	91.1	Very high	41 Å²	41	62.6 Å²	62.6	25%	0.252	31%	0.31	S	S	.	.	H	α-helix	trans	-86.4	-19.1	-174.6	57.9	0	0	0	0	113.9	V156 P157 P162 L163 F164	V156-T160 WeakPolarHBondContact O-CB 3.33Å; V156-T160 WeakPolarHBondContact O-CG2 3.27Å; V156-T160 PolarHBondContact O-N 3.41Å; V156-T160 PolarHBondContact O-OG1 2.97Å; P157-T160 WeakPolarHBondContact CA-OG1 3.46Å; T160-P162 VanDerWaalsContact C-CD 3.46Å; T160-P162 VanDerWaalsContact C-N 3.33Å; T160-P162 VanDerWaalsContact O-N 3.15Å; T160-L163 WeakPolarHBondContact O-CA 3.18Å; T160-L163 VanDerWaalsContact O-CB 3.23Å; T160-L163 WeakPolarHBondContact O-CB 3.28Å; T160-L163 PolarHBondContact O-N 2.93Å; T160-F164 WeakPolarHBondContact O-CD2 3.45Å; T160-F164 PolarHBondContact O-N 3.24Å
161	Y	91.9	Very high	90.6	Very high	39 Å²	39	62.6 Å²	62.6	15%	0.153	31%	0.311	C	S	.	.	H	α-helix	trans	-47.1	-44.7	-179.9	164.7	-109.3	0	0	0	114.6	P157 L163 F164 K165 V174 L175	P157-Y161 VanDerWaalsContact O-CB 3.25Å; P157-Y161 WeakPolarHBondContact O-CB 3.37Å; P157-Y161 PolarHBondContact O-N 3.15Å; Y161-L163 PolarHBondContact O-N 3.13Å; Y161-F164 WeakPolarHBondContact O-CB 3.5Å; Y161-F164 PolarHBondContact O-N 2.82Å; Y161-F164 VanDerWaalsContact O-N 3.09Å; Y161-K165 PolarHBondContact O-N 3.36Å; Y161-K165 WeakPolarHBondContact OH-CE 3.5Å; Y161-V174 HydrophobicContact CD2-CG1 4.17Å; Y161-L175 HydrophobicContact CD2-CB 4.31Å; Y161-L175 HydrophobicContact CD2-CD1 4.43Å; Y161-L175 HydrophobicContact CE1-CD1 4.14Å; Y161-L175 HydrophobicContact CE2-CB 3.69Å; Y161-L175 HydrophobicContact CE2-CD1 3.97Å; Y161-L175 HydrophobicContact CE2-CG 4.37Å
162	P	89.8	Confident	90.3	Very high	2 Å²	2	62.4 Å²	62.4	1%	0.013	31%	0.309	C	S	.	.	H	α-helix	trans	-61.5	-27.8	177.1	-24.4	35.7	0	0	0	114.5	W99 I159 T160	W99-P162 HydrophobicContact CB-CB 3.62Å; W99-P162 HydrophobicContact CB-CG 4.11Å; W99-P162 HydrophobicContact CD2-CB 4.24Å; W99-P162 HydrophobicContact CG-CB 3.78Å; W99-P162 HydrophobicContact CG-CG 4.06Å; I159-P162 WeakPolarHBondContact O-CD 2.99Å; T160-P162 VanDerWaalsContact C-CD 3.46Å; T160-P162 VanDerWaalsContact C-N 3.33Å; T160-P162 VanDerWaalsContact O-N 3.15Å
163	L	89.6	Confident	90.1	Very high	67 Å²	67	60 Å²	60	35%	0.351	30%	0.297	S	S	.	.	H	α-helix	trans	-66.1	-42.2	173.8	-71	168.9	0	0	0	111.1	W99 T160 Y161 K165 R166 V167	W99-L163 HydrophobicContact CE3-CD2 4.07Å; W99-L163 HydrophobicContact CE3-CG 4.37Å; W99-L163 HydrophobicContact CH2-CD1 3.73Å; W99-L163 HydrophobicContact CH2-CD2 3.4Å; W99-L163 VanDerWaalsContact CH2-CD2 3.4Å; W99-L163 HydrophobicContact CH2-CG 3.52Å; W99-L163 HydrophobicContact CZ2-CD1 4.26Å; W99-L163 HydrophobicContact CZ2-CD2 4.47Å; W99-L163 HydrophobicContact CZ2-CG 4.16Å; W99-L163 HydrophobicContact CZ3-CD1 4.35Å; W99-L163 HydrophobicContact CZ3-CD2 3.16Å; W99-L163 HydrophobicContact CZ3-CG 3.65Å; T160-L163 WeakPolarHBondContact O-CA 3.18Å; T160-L163 VanDerWaalsContact O-CB 3.23Å; T160-L163 WeakPolarHBondContact O-CB 3.28Å; T160-L163 PolarHBondContact O-N 2.93Å; Y161-L163 PolarHBondContact O-N 3.13Å; L163-K165 PolarHBondContact O-N 2.87Å; L163-R166 WeakPolarHBondContact O-CB 3.39Å; L163-R166 PolarHBondContact O-N 3.21Å; L163-V167 PolarHBondContact O-N 2.98Å
164	F	87.1	Confident	89.9	Confident	79 Å²	79	57.6 Å²	57.6	35%	0.346	29%	0.285	S	S	.	.	H	α-helix	trans	-63.1	-28.5	-178.1	-78	-79.4	0	0	0	112.7	T160 Y161 R166 V167 T168 V174	T160-F164 WeakPolarHBondContact O-CD2 3.45Å; T160-F164 PolarHBondContact O-N 3.24Å; Y161-F164 WeakPolarHBondContact O-CB 3.5Å; Y161-F164 PolarHBondContact O-N 2.82Å; Y161-F164 VanDerWaalsContact O-N 3.09Å; F164-R166 PolarHBondContact O-N 3.04Å; F164-V167 PolarHBondContact O-N 3.39Å; F164-V167 VanDerWaalsContact O-N 3.15Å; F164-T168 HydrophobicContact CB-CG2 3.97Å; F164-T168 HydrophobicContact CD1-CG2 4.2Å; F164-T168 WeakPolarHBondContact O-CG2 3.36Å; F164-T168 PolarHBondContact O-N 3.34Å; F164-V174 HydrophobicContact CB-CB 4.17Å; F164-V174 HydrophobicContact CB-CG1 3.88Å; F164-V174 HydrophobicContact CB-CG2 3.94Å; F164-V174 HydrophobicContact CD1-CG1 4.41Å; F164-V174 HydrophobicContact CD1-CG2 3.85Å; F164-V174 HydrophobicContact CD2-CG1 3.67Å; F164-V174 HydrophobicContact CE2-CG1 4.3Å; F164-V174 HydrophobicContact CG-CB 4.31Å; F164-V174 HydrophobicContact CG-CG1 3.73Å; F164-V174 HydrophobicContact CG-CG2 3.87Å
165	K	83.5	Confident	89.7	Confident	74 Å²	74	57.4 Å²	57.4	32%	0.322	28%	0.282	S	S	.	.	H	α-helix	trans	-57.5	-21.8	171	-59.6	-175.2	-171.7	176.1	0	114.2	N96 D100 Y161 L163 P171	N96-K165 PolarHBondContact ND2-NZ 3.44Å; N96-K165 WeakPolarHBondContact OD1-CE 3.42Å; N96-K165 PolarHBondContact OD1-NZ 3.44Å; D100-K165 IonicContact OD2-NZ 2.81Å; D100-K165 PolarHBondContact OD2-NZ 2.92Å; Y161-K165 PolarHBondContact O-N 3.36Å; Y161-K165 WeakPolarHBondContact OH-CE 3.5Å; L163-K165 PolarHBondContact O-N 2.87Å; K165-P171 HydrophobicContact CG-CB 4.45Å
166	R	84.2	Confident	89.7	Confident	90 Å²	90	54.8 Å²	54.8	34%	0.34	27%	0.269	S	S	.	.	H	α-helix	trans	-104.2	-14.1	-177.3	-52.9	-179.3	-170.3	112.5	2.3	112.9	W99 D100 Y103 L163 F164	W99-R166 VanDerWaalsContact CE3-NH1 3.34Å; W99-R166 PolarHBondContact O-NH2 3.42Å; D100-R166 IonicContact OD1-CZ 3.79Å; D100-R166 IonicContact OD1-NH2 2.79Å; D100-R166 PolarHBondContact OD1-NH2 3.4Å; Y103-R166 VanDerWaalsContact CE2-NE 3.28Å; L163-R166 WeakPolarHBondContact O-CB 3.39Å; L163-R166 PolarHBondContact O-N 3.21Å; F164-R166 PolarHBondContact O-N 3.04Å
167	V	85.2	Confident	89.7	Confident	114 Å²	114	54.5 Å²	54.5	69%	0.691	26%	0.261	S	S	*	.	H	α-helix	trans	-111.2	-36.7	-173.4	178.6	0	0	0	0	111.8	L163 F164	L163-V167 PolarHBondContact O-N 2.98Å; F164-V167 PolarHBondContact O-N 3.39Å; F164-V167 VanDerWaalsContact O-N 3.15Å
168	T	82.7	Confident	89.8	Confident	48 Å²	48	54.2 Å²	54.2	29%	0.294	26%	0.258	S	S	.	.			trans	-108.9	147.5	-178.6	-176.8	0	0	0	0	112.3	F164 W170 V174	F164-T168 HydrophobicContact CB-CG2 3.97Å; F164-T168 HydrophobicContact CD1-CG2 4.2Å; F164-T168 WeakPolarHBondContact O-CG2 3.36Å; F164-T168 PolarHBondContact O-N 3.34Å; T168-W170 PolarHBondContact OG1-N 3.37Å; T168-W170 VanDerWaalsContact OG1-N 3.09Å; T168-V174 HydrophobicContact CG2-CG2 4.09Å
169	Y	81.6	Confident	89.8	Confident	164 Å²	164	53.7 Å²	53.7	64%	0.643	25%	0.254	S	S	*	.	S	Bend	trans	-80.3	-7	170.9	-58.9	-77.2	0	0	0	112.9	P171 W230	Y169-P171 WeakPolarHBondContact O-CD 3.28Å; Y169-W230 HydrophobicContact CD1-CB 4.09Å; Y169-W230 HydrophobicContact CD1-CG 4.14Å
170	W	84.9	Confident	89.9	Confident	122 Å²	122	49.9 Å²	49.9	46%	0.462	24%	0.235	S	C	.	.			trans	-124.7	60.9	-179.4	-160.7	12.3	0	0	0	112.6	T168 Q172 L173	T168-W170 PolarHBondContact OG1-N 3.37Å; T168-W170 VanDerWaalsContact OG1-N 3.09Å; W170-Q172 PolarHBondContact O-N 3.45Å; W170-L173 HydrophobicContact CD2-CB 3.83Å; W170-L173 HydrophobicContact CD2-CD2 4.24Å; W170-L173 HydrophobicContact CE3-CB 4.24Å; W170-L173 HydrophobicContact CE3-CD2 3.76Å; W170-L173 HydrophobicContact CG-CB 4Å; W170-L173 HydrophobicContact CH2-CD2 4.49Å; W170-L173 HydrophobicContact CZ3-CD2 3.91Å; W170-L173 PolarHBondContact O-N 3.2Å
171	P	87.3	Confident	90.1	Very high	18 Å²	18	50.3 Å²	50.3	12%	0.117	23%	0.232	C	C	.	.	H	α-helix	trans	-62	-23.9	179.9	26.5	-35.6	0	0	0	113.5	K165 Y169 L173 V174 L175	K165-P171 HydrophobicContact CG-CB 4.45Å; Y169-P171 WeakPolarHBondContact O-CD 3.28Å; P171-L173 VanDerWaalsContact C-N 3.25Å; P171-L173 PolarHBondContact O-N 3.28Å; P171-V174 PolarHBondContact O-N 3.11Å; P171-L175 WeakPolarHBondContact O-CB 3.23Å; P171-L175 PolarHBondContact O-N 3.4Å
172	Q	90.4	Very high	90.4	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.009	23%	0.228	C	C	.	.	H	α-helix	trans	-57.3	-39.1	176.1	-63.8	68.8	17.4	0	0	111.5	W170 L175 G176 D214 S218 A231	W170-Q172 PolarHBondContact O-N 3.45Å; Q172-L175 PolarHBondContact O-N 3.4Å; Q172-G176 PolarHBondContact O-N 2.94Å; Q172-D214 HydrophobicContact CB-CB 4.42Å; Q172-D214 HydrophobicContact CG-CB 4.01Å; Q172-D214 WeakPolarHBondContact CG-OD2 3.45Å; Q172-S218 PolarHBondContact NE2-OG 3.27Å; Q172-A231 VanDerWaalsContact NE2-CB 3.3Å; Q172-A231 VanDerWaalsContact OE1-CB 3.25Å
173	L	92.6	Very high	90.8	Very high	43 Å²	43	48.7 Å²	48.7	23%	0.225	23%	0.228	C	C	.	.	H	α-helix	trans	-67.3	-45	179.2	-179.1	64	0	0	0	111.1	W170 P171 L175 G176 F177 V207	W170-L173 HydrophobicContact CD2-CB 3.83Å; W170-L173 HydrophobicContact CD2-CD2 4.24Å; W170-L173 HydrophobicContact CE3-CB 4.24Å; W170-L173 HydrophobicContact CE3-CD2 3.76Å; W170-L173 HydrophobicContact CG-CB 4Å; W170-L173 HydrophobicContact CH2-CD2 4.49Å; W170-L173 HydrophobicContact CZ3-CD2 3.91Å; W170-L173 PolarHBondContact O-N 3.2Å; P171-L173 VanDerWaalsContact C-N 3.25Å; P171-L173 PolarHBondContact O-N 3.28Å; L173-L175 VanDerWaalsContact C-N 3.34Å; L173-G176 WeakPolarHBondContact O-CA 3.31Å; L173-G176 PolarHBondContact O-N 3.27Å; L173-G176 VanDerWaalsContact O-N 3.15Å; L173-F177 HydrophobicContact CD1-CE2 4.05Å; L173-F177 HydrophobicContact CD1-CZ 3.92Å; L173-F177 HydrophobicContact CD2-CE2 4.21Å; L173-F177 HydrophobicContact CG-CD2 4.4Å; L173-F177 HydrophobicContact CG-CE2 3.73Å; L173-F177 HydrophobicContact CG-CZ 4.11Å; L173-F177 WeakPolarHBondContact O-CD2 3.39Å; L173-F177 PolarHBondContact O-N 3.01Å; L173-V207 HydrophobicContact CD1-CG1 3.84Å
174	V	92.3	Very high	91.2	Very high	22 Å²	22	47.1 Å²	47.1	13%	0.133	22%	0.217	C	C	.	.	H	α-helix	trans	-63.7	-42.9	176.5	-176.9	0	0	0	0	110.5	Y161 F164 T168 P171 G176 F177 T178	Y161-V174 HydrophobicContact CD2-CG1 4.17Å; F164-V174 HydrophobicContact CB-CB 4.17Å; F164-V174 HydrophobicContact CB-CG1 3.88Å; F164-V174 HydrophobicContact CB-CG2 3.94Å; F164-V174 HydrophobicContact CD1-CG1 4.41Å; F164-V174 HydrophobicContact CD1-CG2 3.85Å; F164-V174 HydrophobicContact CD2-CG1 3.67Å; F164-V174 HydrophobicContact CE2-CG1 4.3Å; F164-V174 HydrophobicContact CG-CB 4.31Å; F164-V174 HydrophobicContact CG-CG1 3.73Å; F164-V174 HydrophobicContact CG-CG2 3.87Å; T168-V174 HydrophobicContact CG2-CG2 4.09Å; P171-V174 PolarHBondContact O-N 3.11Å; V174-G176 VanDerWaalsContact C-N 3.26Å; V174-G176 PolarHBondContact O-N 2.9Å; V174-F177 PolarHBondContact O-N 3.44Å; V174-F177 VanDerWaalsContact O-N 3.14Å; V174-T178 PolarHBondContact O-N 2.81Å; V174-T178 PolarHBondContact O-OG1 2.84Å; V174-T178 VanDerWaalsContact O-OG1 3.08Å
175	L	93.3	Very high	91.7	Very high	12 Å²	12	44.7 Å²	44.7	6%	0.063	21%	0.207	C	C	.	.	H	α-helix	trans	-58.2	-41	173.6	-178.1	64.6	0	0	0	111.4	Y161 P171 Q172 L173 T178 L179 T210 D214	Y161-L175 HydrophobicContact CD2-CB 4.31Å; Y161-L175 HydrophobicContact CD2-CD1 4.43Å; Y161-L175 HydrophobicContact CE1-CD1 4.14Å; Y161-L175 HydrophobicContact CE2-CB 3.69Å; Y161-L175 HydrophobicContact CE2-CD1 3.97Å; Y161-L175 HydrophobicContact CE2-CG 4.37Å; P171-L175 WeakPolarHBondContact O-CB 3.23Å; P171-L175 PolarHBondContact O-N 3.4Å; Q172-L175 PolarHBondContact O-N 3.4Å; L173-L175 VanDerWaalsContact C-N 3.34Å; L175-T178 PolarHBondContact O-N 3.36Å; L175-L179 HydrophobicContact CD1-CD1 3.7Å; L175-L179 HydrophobicContact CD1-CD2 4.42Å; L175-L179 HydrophobicContact CD1-CG 3.75Å; L175-L179 HydrophobicContact CD2-CD1 4.18Å; L175-L179 HydrophobicContact CG-CD1 3.72Å; L175-L179 HydrophobicContact CG-CG 4.1Å; L175-L179 WeakPolarHBondContact O-CB 3.39Å; L175-L179 WeakPolarHBondContact O-CG 3.46Å; L175-L179 PolarHBondContact O-N 3.22Å; L175-T210 HydrophobicContact CD2-CG2 4.37Å; L175-T210 HydrophobicContact CG-CG2 4.15Å; L175-D214 HydrophobicContact CD2-CB 4.28Å
176	G	95.6	Very high	92.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-56.4	-48.6	172.8	0	0	0	0	0	112.1	Q172 L173 V174 T178 N180 T210	Q172-G176 PolarHBondContact O-N 2.94Å; L173-G176 WeakPolarHBondContact O-CA 3.31Å; L173-G176 PolarHBondContact O-N 3.27Å; L173-G176 VanDerWaalsContact O-N 3.15Å; V174-G176 VanDerWaalsContact C-N 3.26Å; V174-G176 PolarHBondContact O-N 2.9Å; G176-T178 VanDerWaalsContact C-N 3.32Å; G176-T178 PolarHBondContact O-N 3.14Å; G176-N180 WeakPolarHBondContact O-CB 3.27Å; G176-N180 PolarHBondContact O-N 2.98Å; G176-N180 VanDerWaalsContact O-N 3.15Å; G176-N180 PolarHBondContact O-ND2 3.35Å; G176-T210 VanDerWaalsContact CA-CG2 3.44Å
177	F	95.7	Very high	93	Very high	82 Å²	82	37.6 Å²	37.6	36%	0.36	18%	0.179	S	C	.	.	H	α-helix	trans	-62.1	-40.5	176.2	-63.8	-45.5	0	0	0	112.5	L173 V174 Y203 V207	L173-F177 HydrophobicContact CD1-CE2 4.05Å; L173-F177 HydrophobicContact CD1-CZ 3.92Å; L173-F177 HydrophobicContact CD2-CE2 4.21Å; L173-F177 HydrophobicContact CG-CD2 4.4Å; L173-F177 HydrophobicContact CG-CE2 3.73Å; L173-F177 HydrophobicContact CG-CZ 4.11Å; L173-F177 WeakPolarHBondContact O-CD2 3.39Å; L173-F177 PolarHBondContact O-N 3.01Å; V174-F177 PolarHBondContact O-N 3.44Å; V174-F177 VanDerWaalsContact O-N 3.14Å; F177-Y203 VanDerWaalsContact CA-OH 3.24Å; F177-Y203 WeakPolarHBondContact CA-OH 3.23Å; F177-Y203 WeakPolarHBondContact CB-OH 3.4Å; F177-Y203 AromaticContact CD1-CE1 3.79Å; F177-Y203 HydrophobicContact CD1-CE1 3.79Å; F177-Y203 AromaticContact CD1-CZ 3.94Å; F177-Y203 WeakPolarHBondContact CD1-OH 3.34Å; F177-Y203 HydrophobicContact CE1-CE1 4.28Å; F177-Y203 PolarHBondContact O-OH 3.2Å; F177-V207 HydrophobicContact CD1-CG1 4.16Å; F177-V207 HydrophobicContact CD1-CG2 3.75Å; F177-V207 HydrophobicContact CE1-CG1 4.01Å; F177-V207 HydrophobicContact CE1-CG2 4.13Å
178	T	95.3	Very high	93.6	Very high	14 Å²	14	32.2 Å²	32.2	9%	0.086	15%	0.146	C	C	.	.	H	α-helix	trans	-67.8	-49.2	179.8	-54.3	0	0	0	0	112.6	P157 V158 V174 L175 G176	P157-T178 HydrophobicContact CB-CG2 4.38Å; P157-T178 PolarHBondContact O-OG1 3.27Å; V158-T178 HydrophobicContact CB-CG2 4.28Å; V158-T178 HydrophobicContact CG2-CG2 3.62Å; V174-T178 PolarHBondContact O-N 2.81Å; V174-T178 PolarHBondContact O-OG1 2.84Å; V174-T178 VanDerWaalsContact O-OG1 3.08Å; L175-T178 PolarHBondContact O-N 3.36Å; G176-T178 VanDerWaalsContact C-N 3.32Å; G176-T178 PolarHBondContact O-N 3.14Å
179	L	95.1	Very high	94.3	Very high	14 Å²	14	30.4 Å²	30.4	7%	0.073	14%	0.136	C	C	.	.	H	α-helix	trans	-73.3	-30.1	-173.7	-72.3	-179.2	0	0	0	113.1	L55 L175 W181 T210 Y213	L55-L179 HydrophobicContact CD1-CD2 4.38Å; L55-L179 VanDerWaalsContact CD1-O 3.31Å; L55-L179 WeakPolarHBondContact CD1-O 3.41Å; L175-L179 HydrophobicContact CD1-CD1 3.7Å; L175-L179 HydrophobicContact CD1-CD2 4.42Å; L175-L179 HydrophobicContact CD1-CG 3.75Å; L175-L179 HydrophobicContact CD2-CD1 4.18Å; L175-L179 HydrophobicContact CG-CD1 3.72Å; L175-L179 HydrophobicContact CG-CG 4.1Å; L175-L179 WeakPolarHBondContact O-CB 3.39Å; L175-L179 WeakPolarHBondContact O-CG 3.46Å; L175-L179 PolarHBondContact O-N 3.22Å; L179-W181 VanDerWaalsContact C-N 3.34Å; L179-T210 HydrophobicContact CD1-CG2 4.25Å; L179-Y213 VanDerWaalsContact CD1-OH 3.22Å; L179-Y213 WeakPolarHBondContact CD1-OH 3.17Å
180	N	97.7	Very high	95.1	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	5.5	-174.8	-60.3	-68.3	0	0	0	113.3	P58 G176 G182 V183 Y203 A206 V207 T210	P58-N180 WeakPolarHBondContact CG-OD1 3.27Å; G176-N180 WeakPolarHBondContact O-CB 3.27Å; G176-N180 PolarHBondContact O-N 2.98Å; G176-N180 VanDerWaalsContact O-N 3.15Å; G176-N180 PolarHBondContact O-ND2 3.35Å; N180-G182 PolarHBondContact O-N 3.21Å; N180-V183 WeakPolarHBondContact O-CB 3.45Å; N180-V183 WeakPolarHBondContact O-CG2 3.47Å; N180-V183 PolarHBondContact O-N 3.43Å; N180-Y203 HydrophobicContact CB-CD2 3.97Å; N180-Y203 HydrophobicContact CB-CE2 3.94Å; N180-Y203 VanDerWaalsContact O-CD2 3.26Å; N180-Y203 WeakPolarHBondContact O-CD2 3.31Å; N180-Y203 WeakPolarHBondContact O-CE2 3.34Å; N180-A206 HydrophobicContact CB-CB 3.92Å; N180-A206 VanDerWaalsContact CG-C 3.49Å; N180-A206 VanDerWaalsContact ND2-C 3.34Å; N180-A206 PolarHBondContact ND2-O 3.25Å; N180-A206 VanDerWaalsContact ND2-O 3.11Å; N180-A206 WeakPolarHBondContact OD1-CB 3.48Å; N180-V207 HydrophobicContact CB-CG2 4.31Å; N180-V207 PolarHBondContact ND2-N 2.91Å; N180-T210 PolarHBondContact ND2-OG1 2.94Å
181	W	97.4	Very high	95.6	Very high	51 Å²	51	21.9 Å²	21.9	19%	0.193	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-26	177	-157.2	-86.8	0	0	0	113	L150 L153 P157 L179 V183 W184 L185	L150-W181 PolarHBondContact O-NE1 2.93Å; L153-W181 HydrophobicContact CB-CZ2 4.19Å; L153-W181 HydrophobicContact CD2-CH2 4.32Å; L153-W181 HydrophobicContact CD2-CZ2 3.84Å; L153-W181 HydrophobicContact CG-CH2 4.24Å; L153-W181 HydrophobicContact CG-CZ2 3.73Å; P157-W181 HydrophobicContact CG-CE3 4.09Å; P157-W181 HydrophobicContact CG-CZ3 4.21Å; L179-W181 VanDerWaalsContact C-N 3.34Å; W181-V183 PolarHBondContact O-N 3.06Å; W181-V183 VanDerWaalsContact O-N 3.1Å; W181-W184 PolarHBondContact O-N 3.1Å; W181-L185 PolarHBondContact O-N 3.08Å
182	G	97	Very high	96.1	Very high	7 Å²	7	22.4 Å²	22.4	7%	0.072	12%	0.119	C	C	.	.	H	α-helix	trans	-53.7	-22.7	172.1	0	0	0	0	0	115.3	C59 N180 G186	C59-G182 WeakPolarHBondContact SG-CA 3.32Å; N180-G182 PolarHBondContact O-N 3.21Å; G182-G186 WeakPolarHBondContact O-CA 3.19Å; G182-G186 PolarHBondContact O-N 3.39Å
183	V	98	Very high	96.4	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.9	-49.7	172.3	169.5	0	0	0	0	111.1	P58 S62 N180 W181 L185 Y187 C199 L202 Y203	P58-V183 HydrophobicContact CB-CG2 3.79Å; S62-V183 WeakPolarHBondContact CB-O 3.47Å; S62-V183 PolarHBondContact OG-O 3.24Å; N180-V183 WeakPolarHBondContact O-CB 3.45Å; N180-V183 WeakPolarHBondContact O-CG2 3.47Å; N180-V183 PolarHBondContact O-N 3.43Å; W181-V183 PolarHBondContact O-N 3.06Å; W181-V183 VanDerWaalsContact O-N 3.1Å; V183-L185 VanDerWaalsContact C-N 3.35Å; V183-L185 PolarHBondContact O-N 2.74Å; V183-Y187 PolarHBondContact O-N 3.46Å; V183-C199 HydrophobicContact CG1-CB 4.3Å; V183-C199 WeakPolarHBondContact CG1-O 3.01Å; V183-L202 HydrophobicContact CG1-CB 4.08Å; V183-L202 HydrophobicContact CG1-CD2 3.8Å; V183-L202 HydrophobicContact CG1-CG 4.02Å; V183-L202 HydrophobicContact CG2-CD2 4.1Å; V183-L202 HydrophobicContact CG2-CG 4.02Å; V183-Y203 HydrophobicContact CB-CD2 4.18Å
184	W	98.1	Very high	96.6	Very high	34 Å²	34	25.5 Å²	25.5	13%	0.129	13%	0.132	C	C	.	.	H	α-helix	trans	-63	-47.2	179.7	-59.6	105.8	0	0	0	110.8	L150 W181 S188 C194 F196 C199 Y203	L150-W184 HydrophobicContact CD1-CB 4.15Å; W181-W184 PolarHBondContact O-N 3.1Å; W184-S188 WeakPolarHBondContact O-CB 3.45Å; W184-S188 PolarHBondContact O-N 2.95Å; W184-S188 VanDerWaalsContact O-N 3.1Å; W184-S188 PolarHBondContact O-OG 3.32Å; W184-C194 HydrophobicContact CE3-CB 3.95Å; W184-C194 HydrophobicContact CZ3-CB 4.22Å; W184-C194 PolarHBondContact O-SG 2.83Å; W184-F196 HydrophobicContact CH2-CD1 4.11Å; W184-F196 HydrophobicContact CH2-CE1 4.12Å; W184-F196 HydrophobicContact CZ3-CD1 4.27Å; W184-F196 HydrophobicContact CZ3-CE1 4.2Å; W184-C199 HydrophobicContact CD2-CB 4.3Å; W184-C199 HydrophobicContact CE3-CB 3.53Å; W184-C199 HydrophobicContact CH2-CB 3.87Å; W184-C199 HydrophobicContact CZ3-CB 3.29Å; W184-Y203 AromaticContact CD1-CD2 3.78Å; W184-Y203 AromaticContact CD1-CE2 3.83Å; W184-Y203 AromaticContact CE2-CG 3.96Å; W184-Y203 HydrophobicContact CZ2-CD1 4.14Å; W184-Y203 HydrophobicContact CZ2-CG 4.14Å; W184-Y203 AromaticContact NE1-CD1 3.71Å; W184-Y203 AromaticContact NE1-CD2 3.27Å; W184-Y203 VanDerWaalsContact NE1-CD2 3.27Å; W184-Y203 AromaticContact NE1-CE1 3.87Å; W184-Y203 AromaticContact NE1-CE2 3.46Å; W184-Y203 AromaticContact NE1-CG 3.38Å; W184-Y203 AromaticContact NE1-CZ 3.74Å
185	L	97.6	Very high	96.8	Very high	27 Å²	27	27.7 Å²	27.7	14%	0.141	14%	0.143	C	C	.	.	H	α-helix	trans	-66.8	-40.5	-177.2	-168.3	64.9	0	0	0	112.6	F81 L140 L143 S147 L150 W181 V183 S188 A189	F81-L185 HydrophobicContact CE1-CB 4.05Å; F81-L185 HydrophobicContact CE1-CD2 3.87Å; F81-L185 HydrophobicContact CE1-CG 3.77Å; F81-L185 HydrophobicContact CZ-CB 4.33Å; F81-L185 HydrophobicContact CZ-CD2 4.2Å; F81-L185 HydrophobicContact CZ-CG 3.78Å; L140-L185 HydrophobicContact CD1-CD1 4.37Å; L143-L185 HydrophobicContact CD1-CD1 4.29Å; L143-L185 HydrophobicContact CD1-CG 4.41Å; S147-L185 WeakPolarHBondContact O-CD1 3.13Å; L150-L185 HydrophobicContact CB-CD1 4.12Å; W181-L185 PolarHBondContact O-N 3.08Å; V183-L185 VanDerWaalsContact C-N 3.35Å; V183-L185 PolarHBondContact O-N 2.74Å; L185-S188 PolarHBondContact O-N 2.9Å; L185-S188 PolarHBondContact O-OG 3.04Å; L185-S188 VanDerWaalsContact O-OG 3.05Å; L185-A189 VanDerWaalsContact O-CB 3.3Å; L185-A189 WeakPolarHBondContact O-CB 3.45Å; L185-A189 PolarHBondContact O-N 3.05Å
186	G	97.7	Very high	97	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-66.1	-44	-178.9	0	0	0	0	0	112.4	G182	G182-G186 WeakPolarHBondContact O-CA 3.19Å; G182-G186 PolarHBondContact O-N 3.39Å
187	Y	97.9	Very high	97	Very high	16 Å²	16	38.2 Å²	38.2	6%	0.063	20%	0.2	C	C	.	.	H	α-helix	trans	-66.2	-44.9	176	-161.7	-85.9	0	0	0	111.6	S62 A66 V183 A189 I190 N191 F193 L195 V198 C199	S62-Y187 WeakPolarHBondContact OG-CB 3.26Å; S62-Y187 PolarHBondContact OG-N 2.8Å; A66-Y187 HydrophobicContact CB-CD2 3.58Å; A66-Y187 HydrophobicContact CB-CE2 3.81Å; A66-Y187 HydrophobicContact CB-CG 3.99Å; V183-Y187 PolarHBondContact O-N 3.46Å; Y187-A189 VanDerWaalsContact C-N 3.28Å; Y187-A189 PolarHBondContact O-N 3.36Å; Y187-I190 PolarHBondContact O-N 3.03Å; Y187-N191 HydrophobicContact CD1-CB 4.41Å; Y187-N191 HydrophobicContact CE1-CB 4.1Å; Y187-N191 WeakPolarHBondContact CE1-ND2 3.3Å; Y187-N191 VanDerWaalsContact CZ-ND2 3.26Å; Y187-N191 PolarHBondContact O-N 3.29Å; Y187-N191 PolarHBondContact OH-ND2 2.67Å; Y187-F193 VanDerWaalsContact CD1-O 3.31Å; Y187-F193 WeakPolarHBondContact CD1-O 3.49Å; Y187-L195 HydrophobicContact CE1-CB 4Å; Y187-L195 HydrophobicContact CE1-CD1 4.46Å; Y187-L195 HydrophobicContact CE1-CG 4.04Å; Y187-L195 WeakPolarHBondContact OH-CD1 3.22Å; Y187-V198 HydrophobicContact CD2-CG1 4.13Å; Y187-V198 HydrophobicContact CE2-CB 4.1Å; Y187-V198 HydrophobicContact CE2-CG1 3.76Å; Y187-C199 WeakPolarHBondContact CB-SG 3.41Å
188	S	97.8	Very high	97.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-67.7	-29.4	-178.5	69.7	0	0	0	0	112.9	N144 S147 W184 L185 I190 G192 F193	N144-S188 PolarHBondContact ND2-O 2.95Å; S147-S188 WeakPolarHBondContact OG-CB 3.42Å; S147-S188 PolarHBondContact OG-O 3.22Å; S147-S188 PolarHBondContact OG-OG 3.09Å; W184-S188 WeakPolarHBondContact O-CB 3.45Å; W184-S188 PolarHBondContact O-N 2.95Å; W184-S188 VanDerWaalsContact O-N 3.1Å; W184-S188 PolarHBondContact O-OG 3.32Å; L185-S188 PolarHBondContact O-N 2.9Å; L185-S188 PolarHBondContact O-OG 3.04Å; L185-S188 VanDerWaalsContact O-OG 3.05Å; S188-I190 PolarHBondContact O-N 3.32Å; S188-G192 VanDerWaalsContact O-CA 3.23Å; S188-G192 WeakPolarHBondContact O-CA 3.29Å; S188-G192 PolarHBondContact O-N 3.18Å; S188-F193 WeakPolarHBondContact CA-O 3.44Å
189	A	97.8	Very high	97.2	Very high	10 Å²	10	35.6 Å²	35.6	8%	0.083	19%	0.19	C	C	.	.	H	α-helix	trans	-60	-37	178.5	0	0	0	0	0	111.9	M77 F81 L143 N144 S147 L185 Y187	M77-A189 HydrophobicContact SD-CB 4.18Å; F81-A189 HydrophobicContact CE2-CB 3.73Å; F81-A189 HydrophobicContact CZ-CB 3.8Å; L143-A189 HydrophobicContact CD1-CB 4.38Å; L143-A189 HydrophobicContact CD2-CB 4.33Å; N144-A189 WeakPolarHBondContact ND2-CA 3.44Å; N144-A189 PolarHBondContact ND2-O 3.24Å; S147-A189 WeakPolarHBondContact OG-CA 3.45Å; S147-A189 PolarHBondContact OG-N 3.28Å; S147-A189 VanDerWaalsContact OG-N 3.14Å; L185-A189 VanDerWaalsContact O-CB 3.3Å; L185-A189 WeakPolarHBondContact O-CB 3.45Å; L185-A189 PolarHBondContact O-N 3.05Å; Y187-A189 VanDerWaalsContact C-N 3.28Å; Y187-A189 PolarHBondContact O-N 3.36Å
190	I	97.1	Very high	97.3	Very high	51 Å²	51	37.1 Å²	37.1	26%	0.262	20%	0.2	S	C	.	.	H	α-helix	trans	-83.3	-48.9	-179.7	-55.2	-56.4	0	0	0	111.7	I63 A66 D74 M77 Y187 S188	I63-I190 HydrophobicContact CG2-CD1 4.16Å; I63-I190 HydrophobicContact CG2-CG1 4.26Å; A66-I190 HydrophobicContact CB-CB 3.73Å; A66-I190 HydrophobicContact CB-CG1 3.91Å; A66-I190 HydrophobicContact CB-CG2 4.08Å; A66-I190 WeakPolarHBondContact O-CG2 3.27Å; D74-I190 HydrophobicContact CB-CD1 4.47Å; M77-I190 HydrophobicContact CB-CD1 4.05Å; M77-I190 HydrophobicContact CG-CD1 3.65Å; Y187-I190 PolarHBondContact O-N 3.03Å; S188-I190 PolarHBondContact O-N 3.32Å
191	N	96.2	Very high	97.3	Very high	57 Å²	57	40.5 Å²	40.5	31%	0.305	22%	0.222	S	C	.	.	H	α-helix	trans	-96.7	-16	-169.7	-71.7	-46.5	0	0	0	114.5	A66 Y187 F193	A66-N191 PolarHBondContact O-ND2 2.75Å; Y187-N191 HydrophobicContact CD1-CB 4.41Å; Y187-N191 HydrophobicContact CE1-CB 4.1Å; Y187-N191 WeakPolarHBondContact CE1-ND2 3.3Å; Y187-N191 VanDerWaalsContact CZ-ND2 3.26Å; Y187-N191 PolarHBondContact O-N 3.29Å; Y187-N191 PolarHBondContact OH-ND2 2.67Å; N191-F193 VanDerWaalsContact C-N 3.26Å; N191-F193 HydrophobicContact CB-CD1 4.1Å; N191-F193 HydrophobicContact CB-CE1 3.81Å; N191-F193 HydrophobicContact CB-CZ 4.14Å; N191-F193 WeakPolarHBondContact O-CD1 3.4Å; N191-F193 VanDerWaalsContact O-CE1 3.27Å; N191-F193 WeakPolarHBondContact O-CE1 3.4Å; N191-F193 PolarHBondContact O-N 3.1Å
192	G	96.6	Very high	97.3	Very high	29 Å²	29	39.5 Å²	39.5	30%	0.299	22%	0.22	S	C	.	.	S	Bend	trans	78.9	2.4	-174.6	0	0	0	0	0	114.9	Y146 S188	Y146-G192 WeakPolarHBondContact CB-O 3.44Å; S188-G192 VanDerWaalsContact O-CA 3.23Å; S188-G192 WeakPolarHBondContact O-CA 3.29Å; S188-G192 PolarHBondContact O-N 3.18Å
193	F	97	Very high	97.4	Very high	98 Å²	98	40.1 Å²	40.1	43%	0.43	22%	0.221	S	C	.	.	S	Bend	trans	-153.2	169.5	176.3	61.1	-84.8	0	0	0	109.8	Y187 S188 N191 L195	Y187-F193 VanDerWaalsContact CD1-O 3.31Å; Y187-F193 WeakPolarHBondContact CD1-O 3.49Å; S188-F193 WeakPolarHBondContact CA-O 3.44Å; N191-F193 VanDerWaalsContact C-N 3.26Å; N191-F193 HydrophobicContact CB-CD1 4.1Å; N191-F193 HydrophobicContact CB-CE1 3.81Å; N191-F193 HydrophobicContact CB-CZ 4.14Å; N191-F193 WeakPolarHBondContact O-CD1 3.4Å; N191-F193 VanDerWaalsContact O-CE1 3.27Å; N191-F193 WeakPolarHBondContact O-CE1 3.4Å; N191-F193 PolarHBondContact O-N 3.1Å; F193-L195 HydrophobicContact CD2-CD2 4.16Å; F193-L195 HydrophobicContact CD2-CG 4.23Å; F193-L195 HydrophobicContact CE2-CD1 4.35Å; F193-L195 HydrophobicContact CE2-CD2 3.57Å; F193-L195 HydrophobicContact CE2-CG 3.6Å
194	C	97.1	Very high	97.4	Very high	11 Å²	11	43.7 Å²	43.7	7%	0.074	24%	0.24	C	C	.	.			trans	-108.6	122.8	173.2	-66.1	0	0	0	0	111.5	W184 F196	W184-C194 HydrophobicContact CE3-CB 3.95Å; W184-C194 HydrophobicContact CZ3-CB 4.22Å; W184-C194 PolarHBondContact O-SG 2.83Å; C194-F196 PolarHBondContact O-N 3.28Å
195	L	96.9	Very high	97.4	Very high	69 Å²	69	44.9 Å²	44.9	36%	0.361	26%	0.257	S	S	.	.			trans	-79.9	110.7	166.1	-73.7	-177.2	0	0	0	109.8	Y187 F193 S197 V198 C199	Y187-L195 HydrophobicContact CE1-CB 4Å; Y187-L195 HydrophobicContact CE1-CD1 4.46Å; Y187-L195 HydrophobicContact CE1-CG 4.04Å; Y187-L195 WeakPolarHBondContact OH-CD1 3.22Å; F193-L195 HydrophobicContact CD2-CD2 4.16Å; F193-L195 HydrophobicContact CD2-CG 4.23Å; F193-L195 HydrophobicContact CE2-CD1 4.35Å; F193-L195 HydrophobicContact CE2-CD2 3.57Å; F193-L195 HydrophobicContact CE2-CG 3.6Å; L195-S197 PolarHBondContact O-N 3.5Å; L195-V198 HydrophobicContact CB-CB 4.37Å; L195-V198 HydrophobicContact CB-CG2 4.22Å; L195-V198 PolarHBondContact O-N 3.11Å; L195-C199 PolarHBondContact O-N 3.19Å; L195-C199 PolarHBondContact O-SG 3.36Å
196	F	96.9	Very high	97.4	Very high	139 Å²	139	43.7 Å²	43.7	61%	0.61	25%	0.25	S	S	*	.	H	α-helix	trans	-59	-31.9	180	-81.1	-98.1	0	0	0	113.3	W184 C194 V198 T200	W184-F196 HydrophobicContact CH2-CD1 4.11Å; W184-F196 HydrophobicContact CH2-CE1 4.12Å; W184-F196 HydrophobicContact CZ3-CD1 4.27Å; W184-F196 HydrophobicContact CZ3-CE1 4.2Å; C194-F196 PolarHBondContact O-N 3.28Å; F196-V198 PolarHBondContact O-N 2.81Å; F196-T200 WeakPolarHBondContact O-CB 3.39Å; F196-T200 PolarHBondContact O-N 3.33Å; F196-T200 VanDerWaalsContact O-N 3.11Å; F196-T200 PolarHBondContact O-OG1 2.93Å
197	S	97	Very high	97.3	Very high	94 Å²	94	43.8 Å²	43.8	66%	0.657	25%	0.251	S	S	*	.	H	α-helix	trans	-64.1	-22.3	175.8	52.9	0	0	0	0	113.6	L195 P201	L195-S197 PolarHBondContact O-N 3.5Å; S197-P201 VanDerWaalsContact O-CG 3.27Å; S197-P201 WeakPolarHBondContact O-CG 3.35Å
198	V	96.1	Very high	97.3	Very high	41 Å²	41	49 Å²	49	25%	0.248	27%	0.274	C	S	.	.	H	α-helix	trans	-103.9	-51.6	178.3	-178	0	0	0	0	110.7	L65 Y187 L195 F196 P201 L202	L65-V198 HydrophobicContact CB-CG1 4.18Å; L65-V198 HydrophobicContact CD1-CG1 4.31Å; Y187-V198 HydrophobicContact CD2-CG1 4.13Å; Y187-V198 HydrophobicContact CE2-CB 4.1Å; Y187-V198 HydrophobicContact CE2-CG1 3.76Å; L195-V198 HydrophobicContact CB-CB 4.37Å; L195-V198 HydrophobicContact CB-CG2 4.22Å; L195-V198 PolarHBondContact O-N 3.11Å; F196-V198 PolarHBondContact O-N 2.81Å; V198-P201 WeakPolarHBondContact O-CD 3.48Å; V198-P201 WeakPolarHBondContact O-CG 3.45Å; V198-L202 WeakPolarHBondContact O-CB 3.33Å; V198-L202 PolarHBondContact O-N 2.97Å
199	C	97.5	Very high	97.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-68	-41.2	-173.7	-60.7	0	0	0	0	112.8	V183 W184 Y187 L195 L202 Y203	V183-C199 HydrophobicContact CG1-CB 4.3Å; V183-C199 WeakPolarHBondContact CG1-O 3.01Å; W184-C199 HydrophobicContact CD2-CB 4.3Å; W184-C199 HydrophobicContact CE3-CB 3.53Å; W184-C199 HydrophobicContact CH2-CB 3.87Å; W184-C199 HydrophobicContact CZ3-CB 3.29Å; Y187-C199 WeakPolarHBondContact CB-SG 3.41Å; L195-C199 PolarHBondContact O-N 3.19Å; L195-C199 PolarHBondContact O-SG 3.36Å; C199-L202 PolarHBondContact O-N 3.36Å; C199-Y203 WeakPolarHBondContact O-CB 3.47Å; C199-Y203 PolarHBondContact O-N 3.13Å
200	T	97.6	Very high	97.1	Very high	45 Å²	45	52.8 Å²	52.8	28%	0.276	29%	0.286	S	S	.	.	H	α-helix	trans	-63.3	-53.2	-176.5	-46.7	0	0	0	0	112.8	F196 L202 Y203 L204	F196-T200 WeakPolarHBondContact O-CB 3.39Å; F196-T200 PolarHBondContact O-N 3.33Å; F196-T200 VanDerWaalsContact O-N 3.11Å; F196-T200 PolarHBondContact O-OG1 2.93Å; T200-L202 VanDerWaalsContact C-N 3.3Å; T200-L202 PolarHBondContact O-N 3.46Å; T200-Y203 PolarHBondContact O-N 2.74Å; T200-L204 HydrophobicContact CG2-CD1 4.09Å; T200-L204 HydrophobicContact CG2-CG 4.42Å; T200-L204 WeakPolarHBondContact O-CG 3.36Å; T200-L204 PolarHBondContact O-N 3.4Å
201	P	98	Very high	96.9	Very high	71 Å²	71	50.9 Å²	50.9	46%	0.461	28%	0.277	S	S	.	.	H	α-helix	trans	-62.8	-37.9	178.5	23.4	-33	0	0	0	112.1	S197 V198 A205	S197-P201 VanDerWaalsContact O-CG 3.27Å; S197-P201 WeakPolarHBondContact O-CG 3.35Å; V198-P201 WeakPolarHBondContact O-CD 3.48Å; V198-P201 WeakPolarHBondContact O-CG 3.45Å; P201-A205 VanDerWaalsContact O-CB 3.27Å; P201-A205 WeakPolarHBondContact O-CB 3.35Å; P201-A205 PolarHBondContact O-N 2.93Å
202	L	98	Very high	96.7	Very high	30 Å²	30	52.1 Å²	52.1	16%	0.157	29%	0.287	C	S	.	.	H	α-helix	trans	-63.5	-45.5	175.7	-176.3	64.9	0	0	0	111.8	W61 L65 V183 V198 C199 T200 A205 A206	W61-L202 HydrophobicContact CB-CD1 4.24Å; W61-L202 HydrophobicContact CB-CD2 4.3Å; W61-L202 HydrophobicContact CE3-CD1 4.38Å; L65-L202 HydrophobicContact CD1-CD1 4.19Å; L65-L202 HydrophobicContact CD1-CD2 3.71Å; L65-L202 HydrophobicContact CD1-CG 4.41Å; V183-L202 HydrophobicContact CG1-CB 4.08Å; V183-L202 HydrophobicContact CG1-CD2 3.8Å; V183-L202 HydrophobicContact CG1-CG 4.02Å; V183-L202 HydrophobicContact CG2-CD2 4.1Å; V183-L202 HydrophobicContact CG2-CG 4.02Å; V198-L202 WeakPolarHBondContact O-CB 3.33Å; V198-L202 PolarHBondContact O-N 2.97Å; C199-L202 PolarHBondContact O-N 3.36Å; T200-L202 VanDerWaalsContact C-N 3.3Å; T200-L202 PolarHBondContact O-N 3.46Å; L202-A205 PolarHBondContact O-N 3.36Å; L202-A206 VanDerWaalsContact O-CB 3.32Å; L202-A206 WeakPolarHBondContact O-CB 3.19Å; L202-A206 PolarHBondContact O-N 2.89Å
203	Y	98.2	Very high	96.5	Very high	21 Å²	21	52.9 Å²	52.9	8%	0.082	28%	0.281	C	S	.	.	H	α-helix	trans	-62.5	-47.4	179.1	-178.6	-107.6	0	0	0	111.4	F177 N180 V183 W184 C199 T200 A206 V207	F177-Y203 VanDerWaalsContact CA-OH 3.24Å; F177-Y203 WeakPolarHBondContact CA-OH 3.23Å; F177-Y203 WeakPolarHBondContact CB-OH 3.4Å; F177-Y203 AromaticContact CD1-CE1 3.79Å; F177-Y203 HydrophobicContact CD1-CE1 3.79Å; F177-Y203 AromaticContact CD1-CZ 3.94Å; F177-Y203 WeakPolarHBondContact CD1-OH 3.34Å; F177-Y203 HydrophobicContact CE1-CE1 4.28Å; F177-Y203 PolarHBondContact O-OH 3.2Å; N180-Y203 HydrophobicContact CB-CD2 3.97Å; N180-Y203 HydrophobicContact CB-CE2 3.94Å; N180-Y203 VanDerWaalsContact O-CD2 3.26Å; N180-Y203 WeakPolarHBondContact O-CD2 3.31Å; N180-Y203 WeakPolarHBondContact O-CE2 3.34Å; V183-Y203 HydrophobicContact CB-CD2 4.18Å; W184-Y203 AromaticContact CD1-CD2 3.78Å; W184-Y203 AromaticContact CD1-CE2 3.83Å; W184-Y203 AromaticContact CE2-CG 3.96Å; W184-Y203 HydrophobicContact CZ2-CD1 4.14Å; W184-Y203 HydrophobicContact CZ2-CG 4.14Å; W184-Y203 AromaticContact NE1-CD1 3.71Å; W184-Y203 AromaticContact NE1-CD2 3.27Å; W184-Y203 VanDerWaalsContact NE1-CD2 3.27Å; W184-Y203 AromaticContact NE1-CE1 3.87Å; W184-Y203 AromaticContact NE1-CE2 3.46Å; W184-Y203 AromaticContact NE1-CG 3.38Å; W184-Y203 AromaticContact NE1-CZ 3.74Å; C199-Y203 WeakPolarHBondContact O-CB 3.47Å; C199-Y203 PolarHBondContact O-N 3.13Å; T200-Y203 PolarHBondContact O-N 2.74Å; Y203-A206 PolarHBondContact O-N 2.7Å; Y203-V207 HydrophobicContact CD1-CG2 4.2Å; Y203-V207 HydrophobicContact CE1-CG2 3.99Å; Y203-V207 HydrophobicContact CE2-CG2 4.36Å; Y203-V207 HydrophobicContact CG-CG2 4.5Å; Y203-V207 WeakPolarHBondContact O-CB 3.5Å; Y203-V207 WeakPolarHBondContact O-CG2 3.39Å; Y203-V207 PolarHBondContact O-N 2.96Å
204	L	98	Very high	96.2	Very high	75 Å²	75	49.3 Å²	49.3	39%	0.393	27%	0.267	S	S	.	.	H	α-helix	trans	-63.1	-44	177.3	-68.5	177.1	0	0	0	111.8	T200 A206 V207 F208	T200-L204 HydrophobicContact CG2-CD1 4.09Å; T200-L204 HydrophobicContact CG2-CG 4.42Å; T200-L204 WeakPolarHBondContact O-CG 3.36Å; T200-L204 PolarHBondContact O-N 3.4Å; L204-A206 VanDerWaalsContact C-N 3.3Å; L204-A206 PolarHBondContact O-N 3.02Å; L204-V207 PolarHBondContact O-N 2.88Å; L204-F208 HydrophobicContact CB-CE2 4.41Å; L204-F208 WeakPolarHBondContact O-CD2 3.19Å; L204-F208 PolarHBondContact O-N 3.33Å
205	A	97.8	Very high	95.7	Very high	59 Å²	59	50.1 Å²	50.1	49%	0.488	27%	0.272	S	S	.	.	H	α-helix	trans	-58.7	-42.6	175.4	0	0	0	0	0	111.7	P201 L202 F208 W209	P201-A205 VanDerWaalsContact O-CB 3.27Å; P201-A205 WeakPolarHBondContact O-CB 3.35Å; P201-A205 PolarHBondContact O-N 2.93Å; L202-A205 PolarHBondContact O-N 3.36Å; A205-F208 PolarHBondContact O-N 3.3Å; A205-W209 WeakPolarHBondContact O-CB 3.27Å; A205-W209 PolarHBondContact O-N 3.12Å
206	A	97.7	Very high	95.3	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.008	28%	0.278	C	S	.	.	H	α-helix	trans	-69.9	-35.9	178.5	0	0	0	0	0	112.6	W61 N180 L202 Y203 L204 W209 T210	W61-A206 HydrophobicContact CZ3-CB 4.15Å; N180-A206 HydrophobicContact CB-CB 3.92Å; N180-A206 VanDerWaalsContact CG-C 3.49Å; N180-A206 VanDerWaalsContact ND2-C 3.34Å; N180-A206 PolarHBondContact ND2-O 3.25Å; N180-A206 VanDerWaalsContact ND2-O 3.11Å; N180-A206 WeakPolarHBondContact OD1-CB 3.48Å; L202-A206 VanDerWaalsContact O-CB 3.32Å; L202-A206 WeakPolarHBondContact O-CB 3.19Å; L202-A206 PolarHBondContact O-N 2.89Å; Y203-A206 PolarHBondContact O-N 2.7Å; L204-A206 VanDerWaalsContact C-N 3.3Å; L204-A206 PolarHBondContact O-N 3.02Å; A206-W209 WeakPolarHBondContact O-CB 3.42Å; A206-W209 PolarHBondContact O-N 3.48Å; A206-T210 PolarHBondContact O-N 2.97Å; A206-T210 PolarHBondContact O-OG1 2.98Å; A206-T210 VanDerWaalsContact O-OG1 3.05Å
207	V	97.1	Very high	94.8	Very high	3 Å²	3	49.8 Å²	49.8	2%	0.018	27%	0.268	C	S	.	.	H	α-helix	trans	-61.8	-47.3	171.4	169.6	0	0	0	0	110.6	L173 F177 N180 Y203 L204 W209 T210 C211	L173-V207 HydrophobicContact CD1-CG1 3.84Å; F177-V207 HydrophobicContact CD1-CG1 4.16Å; F177-V207 HydrophobicContact CD1-CG2 3.75Å; F177-V207 HydrophobicContact CE1-CG1 4.01Å; F177-V207 HydrophobicContact CE1-CG2 4.13Å; N180-V207 HydrophobicContact CB-CG2 4.31Å; N180-V207 PolarHBondContact ND2-N 2.91Å; Y203-V207 HydrophobicContact CD1-CG2 4.2Å; Y203-V207 HydrophobicContact CE1-CG2 3.99Å; Y203-V207 HydrophobicContact CE2-CG2 4.36Å; Y203-V207 HydrophobicContact CG-CG2 4.5Å; Y203-V207 WeakPolarHBondContact O-CB 3.5Å; Y203-V207 WeakPolarHBondContact O-CG2 3.39Å; Y203-V207 PolarHBondContact O-N 2.96Å; L204-V207 PolarHBondContact O-N 2.88Å; V207-W209 VanDerWaalsContact C-N 3.35Å; V207-W209 PolarHBondContact O-N 3.29Å; V207-T210 WeakPolarHBondContact O-CB 3.31Å; V207-T210 PolarHBondContact O-N 2.98Å; V207-T210 VanDerWaalsContact O-N 3.17Å; V207-C211 PolarHBondContact O-N 3.24Å; V207-C211 PolarHBondContact O-SG 3.19Å
208	F	96.4	Very high	93.9	Very high	124 Å²	124	46.2 Å²	46.2	54%	0.544	24%	0.243	S	C	.	.	H	α-helix	trans	-63.5	-41	175.9	-73.3	-57.2	0	0	0	111.8	L204 A205 T210 C211 T212	L204-F208 HydrophobicContact CB-CE2 4.41Å; L204-F208 WeakPolarHBondContact O-CD2 3.19Å; L204-F208 PolarHBondContact O-N 3.33Å; A205-F208 PolarHBondContact O-N 3.3Å; F208-T210 VanDerWaalsContact C-N 3.26Å; F208-T210 PolarHBondContact O-N 3.11Å; F208-C211 WeakPolarHBondContact O-CB 3.32Å; F208-C211 PolarHBondContact O-N 3.46Å; F208-T212 PolarHBondContact O-N 3.22Å; F208-T212 PolarHBondContact O-OG1 3.26Å
209	W	96.2	Very high	93.1	Very high	90 Å²	90	46.5 Å²	46.5	34%	0.341	24%	0.242	S	C	.	.	H	α-helix	trans	-57.5	-41.6	173.1	178.9	50.1	0	0	0	111.8	L54 L57 W61 A205 A206 V207 T212 Y213	L54-W209 HydrophobicContact CD2-CH2 3.78Å; L54-W209 HydrophobicContact CD2-CZ2 4.13Å; L54-W209 HydrophobicContact CD2-CZ3 4.3Å; L57-W209 HydrophobicContact CB-CH2 4.45Å; L57-W209 HydrophobicContact CD1-CH2 3.81Å; W61-W209 HydrophobicContact CH2-CD2 4.08Å; W61-W209 AromaticContact CH2-CE3 3.41Å; W61-W209 HydrophobicContact CH2-CE3 3.41Å; W61-W209 VanDerWaalsContact CH2-CE3 3.41Å; W61-W209 AromaticContact CH2-CH2 3.74Å; W61-W209 HydrophobicContact CH2-CH2 3.74Å; W61-W209 HydrophobicContact CH2-CZ2 4.37Å; W61-W209 AromaticContact CH2-CZ3 3.22Å; W61-W209 HydrophobicContact CH2-CZ3 3.22Å; W61-W209 HydrophobicContact CZ2-CH2 4.15Å; W61-W209 HydrophobicContact CZ2-CZ3 4.02Å; W61-W209 AromaticContact CZ3-CE3 3.85Å; W61-W209 HydrophobicContact CZ3-CE3 3.85Å; W61-W209 AromaticContact CZ3-CZ3 3.87Å; W61-W209 HydrophobicContact CZ3-CZ3 3.87Å; A205-W209 WeakPolarHBondContact O-CB 3.27Å; A205-W209 PolarHBondContact O-N 3.12Å; A206-W209 WeakPolarHBondContact O-CB 3.42Å; A206-W209 PolarHBondContact O-N 3.48Å; V207-W209 VanDerWaalsContact C-N 3.35Å; V207-W209 PolarHBondContact O-N 3.29Å; W209-T212 WeakPolarHBondContact O-CB 3.29Å; W209-T212 PolarHBondContact O-N 2.99Å; W209-Y213 HydrophobicContact CD2-CD1 4.18Å; W209-Y213 HydrophobicContact CD2-CE1 4.2Å; W209-Y213 HydrophobicContact CE3-CE1 4.28Å; W209-Y213 HydrophobicContact CG-CD1 4.35Å; W209-Y213 WeakPolarHBondContact O-CD1 3.2Å; W209-Y213 PolarHBondContact O-N 2.74Å
210	T	95.3	Very high	92.4	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-63.2	-44.8	174.4	-61.2	0	0	0	0	113.3	L175 G176 L179 N180 A206 V207 F208 T212 Y213 D214	L175-T210 HydrophobicContact CD2-CG2 4.37Å; L175-T210 HydrophobicContact CG-CG2 4.15Å; G176-T210 VanDerWaalsContact CA-CG2 3.44Å; L179-T210 HydrophobicContact CD1-CG2 4.25Å; N180-T210 PolarHBondContact ND2-OG1 2.94Å; A206-T210 PolarHBondContact O-N 2.97Å; A206-T210 PolarHBondContact O-OG1 2.98Å; A206-T210 VanDerWaalsContact O-OG1 3.05Å; V207-T210 WeakPolarHBondContact O-CB 3.31Å; V207-T210 PolarHBondContact O-N 2.98Å; V207-T210 VanDerWaalsContact O-N 3.17Å; F208-T210 VanDerWaalsContact C-N 3.26Å; F208-T210 PolarHBondContact O-N 3.11Å; T210-T212 VanDerWaalsContact C-N 3.26Å; T210-T212 PolarHBondContact O-N 2.92Å; T210-Y213 HydrophobicContact CG2-CE1 4.24Å; T210-Y213 HydrophobicContact CG2-CE2 4.17Å; T210-Y213 WeakPolarHBondContact CG2-OH 3.45Å; T210-Y213 PolarHBondContact OG1-OH 3.4Å; T210-Y213 VanDerWaalsContact OG1-OH 3.14Å; T210-D214 VanDerWaalsContact O-CB 3.23Å; T210-D214 WeakPolarHBondContact O-CB 3.35Å; T210-D214 PolarHBondContact O-N 3.04Å
211	C	93.6	Very high	91.1	Very high	11 Å²	11	51.7 Å²	51.7	7%	0.074	27%	0.265	C	S	.	.	H	α-helix	trans	-58.4	-42.6	174.8	-64.3	0	0	0	0	111.3	V207 F208 T215	V207-C211 PolarHBondContact O-N 3.24Å; V207-C211 PolarHBondContact O-SG 3.19Å; F208-C211 WeakPolarHBondContact O-CB 3.32Å; F208-C211 PolarHBondContact O-N 3.46Å; C211-T215 VanDerWaalsContact O-CB 3.23Å; C211-T215 WeakPolarHBondContact O-CB 3.44Å; C211-T215 PolarHBondContact O-N 3.04Å; C211-T215 PolarHBondContact O-OG1 3Å
212	T	92.5	Very high	89.7	Confident	83 Å²	83	49.9 Å²	49.9	51%	0.509	25%	0.251	S	S	.	.	H	α-helix	trans	-62.7	-55.7	-179.9	-58	0	0	0	0	112	F208 W209 T210 D214 T215 I216	F208-T212 PolarHBondContact O-N 3.22Å; F208-T212 PolarHBondContact O-OG1 3.26Å; W209-T212 WeakPolarHBondContact O-CB 3.29Å; W209-T212 PolarHBondContact O-N 2.99Å; T210-T212 VanDerWaalsContact C-N 3.26Å; T210-T212 PolarHBondContact O-N 2.92Å; T212-D214 PolarHBondContact O-N 3.1Å; T212-T215 PolarHBondContact O-N 2.88Å; T212-I216 HydrophobicContact CG2-CD1 4.24Å; T212-I216 WeakPolarHBondContact O-CG1 3.07Å; T212-I216 PolarHBondContact O-N 3.07Å; T212-I216 VanDerWaalsContact O-N 3.14Å
213	Y	92.5	Very high	87.8	Confident	45 Å²	45	56.9 Å²	56.9	18%	0.176	28%	0.283	C	S	.	.	H	α-helix	trans	-69.7	-34	-176.4	71	-115.9	0	0	0	112.5	L54 L179 W209 T210 T215 I216 Y217	L54-Y213 HydrophobicContact CD1-CD2 4.29Å; L54-Y213 HydrophobicContact CD1-CE1 4.32Å; L54-Y213 HydrophobicContact CD1-CE2 3.69Å; L54-Y213 HydrophobicContact CD2-CD1 4.17Å; L54-Y213 HydrophobicContact CD2-CE1 3.65Å; L54-Y213 HydrophobicContact CD2-CE2 4.5Å; L54-Y213 HydrophobicContact CG-CE1 4.47Å; L179-Y213 VanDerWaalsContact CD1-OH 3.22Å; L179-Y213 WeakPolarHBondContact CD1-OH 3.17Å; W209-Y213 HydrophobicContact CD2-CD1 4.18Å; W209-Y213 HydrophobicContact CD2-CE1 4.2Å; W209-Y213 HydrophobicContact CE3-CE1 4.28Å; W209-Y213 HydrophobicContact CG-CD1 4.35Å; W209-Y213 WeakPolarHBondContact O-CD1 3.2Å; W209-Y213 PolarHBondContact O-N 2.74Å; T210-Y213 HydrophobicContact CG2-CE1 4.24Å; T210-Y213 HydrophobicContact CG2-CE2 4.17Å; T210-Y213 WeakPolarHBondContact CG2-OH 3.45Å; T210-Y213 PolarHBondContact OG1-OH 3.4Å; T210-Y213 VanDerWaalsContact OG1-OH 3.14Å; Y213-T215 VanDerWaalsContact C-N 3.34Å; Y213-I216 PolarHBondContact O-N 3.04Å; Y213-Y217 WeakPolarHBondContact O-CB 3.26Å; Y213-Y217 PolarHBondContact O-N 2.8Å
214	D	90.2	Very high	85.9	Confident	24 Å²	24	60.6 Å²	60.6	13%	0.128	31%	0.312	C	S	.	.	H	α-helix	trans	-74.7	-28.6	-179	-160.3	58.1	0	0	0	111.4	Q172 L175 T210 T212 S218	Q172-D214 HydrophobicContact CB-CB 4.42Å; Q172-D214 HydrophobicContact CG-CB 4.01Å; Q172-D214 WeakPolarHBondContact CG-OD2 3.45Å; L175-D214 HydrophobicContact CD2-CB 4.28Å; T210-D214 VanDerWaalsContact O-CB 3.23Å; T210-D214 WeakPolarHBondContact O-CB 3.35Å; T210-D214 PolarHBondContact O-N 3.04Å; T212-D214 PolarHBondContact O-N 3.1Å; D214-S218 WeakPolarHBondContact O-CB 3.23Å; D214-S218 PolarHBondContact O-N 3.15Å; D214-S218 PolarHBondContact O-OG 3.41Å
215	T	86.8	Confident	83.7	Confident	28 Å²	28	59.2 Å²	59.2	17%	0.172	31%	0.307	C	S	.	.	H	α-helix	trans	-65.2	-48.7	169.1	-60.2	0	0	0	0	110.7	C211 T212 Y213 Y217 S218 H219	C211-T215 VanDerWaalsContact O-CB 3.23Å; C211-T215 WeakPolarHBondContact O-CB 3.44Å; C211-T215 PolarHBondContact O-N 3.04Å; C211-T215 PolarHBondContact O-OG1 3Å; T212-T215 PolarHBondContact O-N 2.88Å; Y213-T215 VanDerWaalsContact C-N 3.34Å; T215-Y217 VanDerWaalsContact C-N 3.31Å; T215-Y217 PolarHBondContact O-N 2.78Å; T215-S218 WeakPolarHBondContact O-CB 3.4Å; T215-S218 PolarHBondContact O-N 3.49Å; T215-S218 VanDerWaalsContact O-N 3.17Å; T215-H219 PolarHBondContact O-CD2 2.87Å; T215-H219 VanDerWaalsContact O-CD2 3.26Å; T215-H219 PolarHBondContact O-N 2.92Å; T215-H219 VanDerWaalsContact O-N 3.09Å
216	I	88.9	Confident	81.2	Confident	96 Å²	96	59.3 Å²	59.3	49%	0.492	31%	0.313	S	S	.	.	H	α-helix	trans	-58.6	-44.9	176.2	-65.4	166.3	0	0	0	110.6	T212 Y213 S218 H219 Q220	T212-I216 HydrophobicContact CG2-CD1 4.24Å; T212-I216 WeakPolarHBondContact O-CG1 3.07Å; T212-I216 PolarHBondContact O-N 3.07Å; T212-I216 VanDerWaalsContact O-N 3.14Å; Y213-I216 PolarHBondContact O-N 3.04Å; I216-S218 VanDerWaalsContact C-N 3.35Å; I216-S218 PolarHBondContact O-N 3.18Å; I216-H219 WeakPolarHBondContact O-CB 3.3Å; I216-H219 PolarHBondContact O-N 3.14Å; I216-Q220 WeakPolarHBondContact O-CG 3.27Å; I216-Q220 PolarHBondContact O-N 3.45Å
217	Y	84.6	Confident	79	Confident	105 Å²	105	63.5 Å²	63.5	41%	0.412	34%	0.338	S	S	.	.	H	α-helix	trans	-59.9	-43.8	176.4	176.8	-105.3	0	0	0	112.2	R109 Y213 T215 H219 Q220 V221	R109-Y217 PolarHBondContact NH1-OH 3.34Å; Y213-Y217 WeakPolarHBondContact O-CB 3.26Å; Y213-Y217 PolarHBondContact O-N 2.8Å; T215-Y217 VanDerWaalsContact C-N 3.31Å; T215-Y217 PolarHBondContact O-N 2.78Å; Y217-H219 VanDerWaalsContact C-N 3.32Å; Y217-H219 PolarHBondContact O-N 2.84Å; Y217-Q220 WeakPolarHBondContact O-CB 3.36Å; Y217-Q220 PolarHBondContact O-N 3.42Å; Y217-Q220 VanDerWaalsContact O-N 3.16Å; Y217-V221 HydrophobicContact CD1-CG2 4.38Å; Y217-V221 HydrophobicContact CE1-CG2 3.88Å; Y217-V221 HydrophobicContact CE2-CG2 4.24Å; Y217-V221 WeakPolarHBondContact O-CG2 3.48Å; Y217-V221 PolarHBondContact O-N 2.96Å; Y217-V221 VanDerWaalsContact O-N 3.15Å
218	S	79.4	Confident	76.6	Confident	18 Å²	18	68.3 Å²	68.3	13%	0.126	36%	0.363	C	S	.	.	H	α-helix	trans	-60.9	-40.7	179.1	-62.2	0	0	0	0	111.8	Q172 D214 T215 I216 Q220 V221 L222 I232	Q172-S218 PolarHBondContact NE2-OG 3.27Å; D214-S218 WeakPolarHBondContact O-CB 3.23Å; D214-S218 PolarHBondContact O-N 3.15Å; D214-S218 PolarHBondContact O-OG 3.41Å; T215-S218 WeakPolarHBondContact O-CB 3.4Å; T215-S218 PolarHBondContact O-N 3.49Å; T215-S218 VanDerWaalsContact O-N 3.17Å; I216-S218 VanDerWaalsContact C-N 3.35Å; I216-S218 PolarHBondContact O-N 3.18Å; S218-Q220 VanDerWaalsContact C-N 3.33Å; S218-Q220 PolarHBondContact O-N 3.35Å; S218-V221 PolarHBondContact O-N 3.39Å; S218-V221 VanDerWaalsContact O-N 3.15Å; S218-L222 PolarHBondContact O-N 2.97Å; S218-I232 VanDerWaalsContact O-CD1 3.3Å; S218-I232 WeakPolarHBondContact O-CD1 3.4Å
219	H	79.1	Confident	74.6	Confident	48 Å²	48	64.3 Å²	64.3	22%	0.222	35%	0.35	C	S	.	.	H	α-helix	trans	-59.1	-40.6	174.4	-85.6	-79.9	0	0	0	113	T215 I216 Y217 V221 L222 I232 S235	T215-H219 PolarHBondContact O-CD2 2.87Å; T215-H219 VanDerWaalsContact O-CD2 3.26Å; T215-H219 PolarHBondContact O-N 2.92Å; T215-H219 VanDerWaalsContact O-N 3.09Å; I216-H219 WeakPolarHBondContact O-CB 3.3Å; I216-H219 PolarHBondContact O-N 3.14Å; Y217-H219 VanDerWaalsContact C-N 3.32Å; Y217-H219 PolarHBondContact O-N 2.84Å; H219-V221 VanDerWaalsContact C-N 3.3Å; H219-V221 PolarHBondContact O-N 3.5Å; H219-L222 PolarHBondContact O-N 3.17Å; H219-I232 WeakPolarHBondContact CE1-CG2 3.48Å; H219-I232 WeakPolarHBondContact ND1-CG2 3.49Å; H219-S235 PolarHBondContact NE2-OG 3.3Å
220	Q	81.9	Confident	72.4	Confident	122 Å²	122	66.9 Å²	66.9	57%	0.57	36%	0.36	S	S	*	.	H	α-helix	trans	-65.6	-35.4	176.6	-63.8	171.1	-9.8	0	0	111.9	I216 Y217 S218 S224	I216-Q220 WeakPolarHBondContact O-CG 3.27Å; I216-Q220 PolarHBondContact O-N 3.45Å; Y217-Q220 WeakPolarHBondContact O-CB 3.36Å; Y217-Q220 PolarHBondContact O-N 3.42Å; Y217-Q220 VanDerWaalsContact O-N 3.16Å; S218-Q220 VanDerWaalsContact C-N 3.33Å; S218-Q220 PolarHBondContact O-N 3.35Å; Q220-S224 PolarHBondContact O-OG 3.11Å; Q220-S224 VanDerWaalsContact O-OG 3.1Å
221	V	71.1	Confident	70.3	Confident	31 Å²	31	67.2 Å²	67.2	19%	0.188	36%	0.363	C	S	.	.	H	α-helix	trans	-72.8	-36.9	177.6	178	0	0	0	0	111.6	Y217 S218 H219 H223 S224 T225	Y217-V221 HydrophobicContact CD1-CG2 4.38Å; Y217-V221 HydrophobicContact CE1-CG2 3.88Å; Y217-V221 HydrophobicContact CE2-CG2 4.24Å; Y217-V221 WeakPolarHBondContact O-CG2 3.48Å; Y217-V221 PolarHBondContact O-N 2.96Å; Y217-V221 VanDerWaalsContact O-N 3.15Å; S218-V221 PolarHBondContact O-N 3.39Å; S218-V221 VanDerWaalsContact O-N 3.15Å; H219-V221 VanDerWaalsContact C-N 3.3Å; H219-V221 PolarHBondContact O-N 3.5Å; V221-H223 VanDerWaalsContact C-N 3.32Å; V221-H223 PolarHBondContact O-N 2.78Å; V221-S224 CarbonylContact O-C 3.24Å; V221-S224 WeakPolarHBondContact O-CA 3.43Å; V221-S224 WeakPolarHBondContact O-CB 3.25Å; V221-S224 PolarHBondContact O-N 3.06Å; V221-T225 HydrophobicContact CG1-CG2 4.02Å; V221-T225 PolarHBondContact O-N 3.36Å; V221-T225 PolarHBondContact O-OG1 3.2Å; V221-T225 VanDerWaalsContact O-OG1 3.11Å
222	L	67.6	Low	68.5	Low	34 Å²	34	66.9 Å²	66.9	18%	0.178	36%	0.36	C	S	.	.	H	α-helix	trans	-56.7	-45.3	178.6	176	65.3	0	0	0	112.2	S218 H219 S224 T225 G226 V227 L228 I232	S218-L222 PolarHBondContact O-N 2.97Å; H219-L222 PolarHBondContact O-N 3.17Å; L222-S224 PolarHBondContact O-N 3.18Å; L222-S224 VanDerWaalsContact O-N 3.13Å; L222-T225 PolarHBondContact O-N 3.03Å; L222-G226 PolarHBondContact O-N 3.11Å; L222-V227 VanDerWaalsContact CD1-O 3.28Å; L222-V227 WeakPolarHBondContact CD1-O 3.5Å; L222-L228 HydrophobicContact CD1-CD1 4.1Å; L222-I232 HydrophobicContact CB-CD1 3.54Å; L222-I232 HydrophobicContact CD2-CB 4.39Å; L222-I232 HydrophobicContact CD2-CD1 3.78Å; L222-I232 HydrophobicContact CD2-CG2 3.54Å; L222-I232 HydrophobicContact CG-CD1 4.16Å
223	H	60.1	Low	66.8	Low	177 Å²	177	65.2 Å²	65.2	82%	0.819	35%	0.348	S	S	*	.	H	α-helix	trans	-60.1	-22.5	174.9	-87.5	-81	0	0	0	113.4	V221	V221-H223 VanDerWaalsContact C-N 3.32Å; V221-H223 PolarHBondContact O-N 2.78Å
224	S	56.5	Low	64.9	Low	98 Å²	98	67.4 Å²	67.4	69%	0.685	36%	0.362	S	S	*	.	H	α-helix	trans	-96.7	-26.2	-175.6	-53.4	0	0	0	0	113.7	Q220 V221 L222	Q220-S224 PolarHBondContact O-OG 3.11Å; Q220-S224 VanDerWaalsContact O-OG 3.1Å; V221-S224 CarbonylContact O-C 3.24Å; V221-S224 WeakPolarHBondContact O-CA 3.43Å; V221-S224 WeakPolarHBondContact O-CB 3.25Å; V221-S224 PolarHBondContact O-N 3.06Å; L222-S224 PolarHBondContact O-N 3.18Å; L222-S224 VanDerWaalsContact O-N 3.13Å
225	T	52.1	Low	63.2	Low	47 Å²	47	67.3 Å²	67.3	29%	0.288	36%	0.363	S	S	.	.	H	α-helix	trans	-123.3	-15.7	-171.3	61.2	0	0	0	0	114.8	R109 V221 L222 V227	R109-T225 HydrophobicContact CB-CG2 4.41Å; V221-T225 HydrophobicContact CG1-CG2 4.02Å; V221-T225 PolarHBondContact O-N 3.36Å; V221-T225 PolarHBondContact O-OG1 3.2Å; V221-T225 VanDerWaalsContact O-OG1 3.11Å; L222-T225 PolarHBondContact O-N 3.03Å; T225-V227 PolarHBondContact O-N 3.41Å; T225-V227 VanDerWaalsContact O-N 3.16Å; T225-V227 PolarHBondContact OG1-N 3.36Å
226	G	45.5	Very low	61.7	Low	60 Å²	60	70.5 Å²	70.5	62%	0.619	38%	0.376	S	S	*	.			trans	66.1	7.4	-173.8	0	0	0	0	0	114.2	L222 L228	L222-G226 PolarHBondContact O-N 3.11Å; G226-L228 PolarHBondContact O-N 2.99Å
227	V	50.8	Low	60.1	Low	89 Å²	89	69.3 Å²	69.3	54%	0.539	37%	0.374	S	S	.	.			trans	-86.9	106.8	179.1	-179.1	0	0	0	0	108.7	L222 T225 C229	L222-V227 VanDerWaalsContact CD1-O 3.28Å; L222-V227 WeakPolarHBondContact CD1-O 3.5Å; T225-V227 PolarHBondContact O-N 3.41Å; T225-V227 VanDerWaalsContact O-N 3.16Å; T225-V227 PolarHBondContact OG1-N 3.36Å; V227-C229 PolarHBondContact O-N 3.45Å; V227-C229 VanDerWaalsContact O-N 3.09Å
228	L	48.4	Very low	58.5	Low	104 Å²	104	70 Å²	70	55%	0.545	38%	0.384	S	S	.	.			trans	-60.3	107.7	171.2	-101.2	70.3	0	0	0	109.9	L222 G226 L233	L222-L228 HydrophobicContact CD1-CD1 4.1Å; G226-L228 PolarHBondContact O-N 2.99Å; L228-L233 HydrophobicContact CD2-CD1 3.27Å; L228-L233 HydrophobicContact CD2-CG 4.49Å; L228-L233 HydrophobicContact CG-CD1 3.91Å
229	C	53.3	Low	57.2	Low	40 Å²	40	76 Å²	76	27%	0.27	41%	0.414	S	S	.	.			trans	-82.4	120.5	155	-174.2	0	0	0	0	106.9	V227 A231 I232	V227-C229 PolarHBondContact O-N 3.45Å; V227-C229 VanDerWaalsContact O-N 3.09Å; C229-A231 PolarHBondContact O-N 3.38Å; C229-I232 HydrophobicContact CB-CD1 4.15Å; C229-I232 HydrophobicContact CB-CG1 4.39Å; C229-I232 VanDerWaalsContact O-CB 3.27Å; C229-I232 WeakPolarHBondContact O-CB 3.48Å; C229-I232 PolarHBondContact O-N 3.43Å
230	W	51.3	Low	56.2	Low	144 Å²	144	79.3 Å²	79.3	55%	0.545	44%	0.437	S	S	.	.	H	α-helix	trans	-57.9	-21.8	-179.8	-80.9	96.8	0	0	0	113.7	Y169 I232 L233 L234	Y169-W230 HydrophobicContact CD1-CB 4.09Å; Y169-W230 HydrophobicContact CD1-CG 4.14Å; W230-I232 PolarHBondContact O-N 2.91Å; W230-L233 HydrophobicContact CD2-CD1 3.93Å; W230-L233 HydrophobicContact CE3-CB 3.77Å; W230-L233 HydrophobicContact CE3-CD1 3.53Å; W230-L233 HydrophobicContact CE3-CG 4.15Å; W230-L233 HydrophobicContact CH2-CD1 4.11Å; W230-L233 HydrophobicContact CZ2-CD1 4.47Å; W230-L233 HydrophobicContact CZ3-CB 4.22Å; W230-L233 HydrophobicContact CZ3-CD1 3.63Å; W230-L233 HydrophobicContact CZ3-CD2 4.2Å; W230-L233 HydrophobicContact CZ3-CG 4.24Å; W230-L233 WeakPolarHBondContact O-CA 3.35Å; W230-L233 WeakPolarHBondContact O-CB 3.37Å; W230-L233 PolarHBondContact O-N 3.47Å; W230-L234 PolarHBondContact O-N 3.25Å
231	A	50.9	Low	54.9	Low	7 Å²	7	82.4 Å²	82.4	6%	0.058	46%	0.457	C	S	.	.	H	α-helix	trans	-57.5	-32.4	170.2	0	0	0	0	0	112.9	Q172 C229 S235	Q172-A231 VanDerWaalsContact NE2-CB 3.3Å; Q172-A231 VanDerWaalsContact OE1-CB 3.25Å; C229-A231 PolarHBondContact O-N 3.38Å; A231-S235 WeakPolarHBondContact O-CB 3.41Å; A231-S235 PolarHBondContact O-N 3.48Å; A231-S235 PolarHBondContact O-OG 3.19Å
232	I	55.5	Low	54	Low	4 Å²	4	85 Å²	85	2%	0.021	47%	0.47	C	S	.	.	H	α-helix	trans	-68.7	-44.2	173.3	-65.4	168.1	0	0	0	110	S218 H219 L222 C229 W230 L234 S235 Q236	S218-I232 VanDerWaalsContact O-CD1 3.3Å; S218-I232 WeakPolarHBondContact O-CD1 3.4Å; H219-I232 WeakPolarHBondContact CE1-CG2 3.48Å; H219-I232 WeakPolarHBondContact ND1-CG2 3.49Å; L222-I232 HydrophobicContact CB-CD1 3.54Å; L222-I232 HydrophobicContact CD2-CB 4.39Å; L222-I232 HydrophobicContact CD2-CD1 3.78Å; L222-I232 HydrophobicContact CD2-CG2 3.54Å; L222-I232 HydrophobicContact CG-CD1 4.16Å; C229-I232 HydrophobicContact CB-CD1 4.15Å; C229-I232 HydrophobicContact CB-CG1 4.39Å; C229-I232 VanDerWaalsContact O-CB 3.27Å; C229-I232 WeakPolarHBondContact O-CB 3.48Å; C229-I232 PolarHBondContact O-N 3.43Å; W230-I232 PolarHBondContact O-N 2.91Å; I232-L234 PolarHBondContact O-N 3.14Å; I232-S235 WeakPolarHBondContact CA-OG 3.33Å; I232-S235 PolarHBondContact O-N 3.29Å; I232-S235 PolarHBondContact O-OG 2.92Å; I232-Q236 WeakPolarHBondContact O-CB 3.44Å; I232-Q236 WeakPolarHBondContact O-CG 3.37Å; I232-Q236 PolarHBondContact O-N 3.18Å
233	L	56	Low	53.3	Low	48 Å²	48	87.7 Å²	87.7	25%	0.251	49%	0.486	S	S	.	.	H	α-helix	trans	-60.5	-44.2	175.7	-97.1	144.2	0	0	0	112.3	L228 W230 Q236 V237	L228-L233 HydrophobicContact CD2-CD1 3.27Å; L228-L233 HydrophobicContact CD2-CG 4.49Å; L228-L233 HydrophobicContact CG-CD1 3.91Å; W230-L233 HydrophobicContact CD2-CD1 3.93Å; W230-L233 HydrophobicContact CE3-CB 3.77Å; W230-L233 HydrophobicContact CE3-CD1 3.53Å; W230-L233 HydrophobicContact CE3-CG 4.15Å; W230-L233 HydrophobicContact CH2-CD1 4.11Å; W230-L233 HydrophobicContact CZ2-CD1 4.47Å; W230-L233 HydrophobicContact CZ3-CB 4.22Å; W230-L233 HydrophobicContact CZ3-CD1 3.63Å; W230-L233 HydrophobicContact CZ3-CD2 4.2Å; W230-L233 HydrophobicContact CZ3-CG 4.24Å; W230-L233 WeakPolarHBondContact O-CA 3.35Å; W230-L233 WeakPolarHBondContact O-CB 3.37Å; W230-L233 PolarHBondContact O-N 3.47Å; L233-Q236 PolarHBondContact O-N 3.09Å; L233-V237 VanDerWaalsContact O-CG2 3.25Å; L233-V237 WeakPolarHBondContact O-CG2 3.24Å; L233-V237 PolarHBondContact O-N 2.92Å
234	L	53.9	Low	53	Low	92 Å²	92	82.7 Å²	82.7	48%	0.482	47%	0.467	S	S	.	.	H	α-helix	trans	-64.8	-42.1	175.4	-94	157	0	0	0	112.3	W230 I232 Q236 V237 L238	W230-L234 PolarHBondContact O-N 3.25Å; I232-L234 PolarHBondContact O-N 3.14Å; L234-Q236 VanDerWaalsContact C-N 3.31Å; L234-Q236 PolarHBondContact O-N 2.92Å; L234-V237 PolarHBondContact O-N 2.81Å; L234-L238 WeakPolarHBondContact O-CB 3.46Å; L234-L238 PolarHBondContact O-N 3.32Å
235	S	53.4	Low	52.8	Low	21 Å²	21	81.8 Å²	81.8	15%	0.147	45%	0.454	C	S	.	.	H	α-helix	trans	-65.3	-34.8	175.9	71.4	0	0	0	0	112.6	H219 A231 I232 L239	H219-S235 PolarHBondContact NE2-OG 3.3Å; A231-S235 WeakPolarHBondContact O-CB 3.41Å; A231-S235 PolarHBondContact O-N 3.48Å; A231-S235 PolarHBondContact O-OG 3.19Å; I232-S235 WeakPolarHBondContact CA-OG 3.33Å; I232-S235 PolarHBondContact O-N 3.29Å; I232-S235 PolarHBondContact O-OG 2.92Å; S235-L239 VanDerWaalsContact O-CB 3.29Å; S235-L239 WeakPolarHBondContact O-CB 3.46Å; S235-L239 WeakPolarHBondContact O-CD1 3.43Å; S235-L239 VanDerWaalsContact O-CG 3.23Å; S235-L239 WeakPolarHBondContact O-CG 3.43Å; S235-L239 PolarHBondContact O-N 2.75Å
236	Q	54.6	Low	52.8	Low	96 Å²	96	84 Å²	84	45%	0.449	47%	0.465	S	S	.	.	H	α-helix	trans	-68.5	-43.7	174.2	-75.9	177.8	-16.4	0	0	110.9	I232 L233 L234 L239 T240	I232-Q236 WeakPolarHBondContact O-CB 3.44Å; I232-Q236 WeakPolarHBondContact O-CG 3.37Å; I232-Q236 PolarHBondContact O-N 3.18Å; L233-Q236 PolarHBondContact O-N 3.09Å; L234-Q236 VanDerWaalsContact C-N 3.31Å; L234-Q236 PolarHBondContact O-N 2.92Å; Q236-L239 PolarHBondContact O-N 3.42Å; Q236-T240 WeakPolarHBondContact O-CB 3.38Å; Q236-T240 WeakPolarHBondContact O-CG2 3.4Å; Q236-T240 PolarHBondContact O-N 3.01Å; Q236-T240 PolarHBondContact O-OG1 3.31Å
237	V	56.9	Low	53.3	Low	71 Å²	71	85.6 Å²	85.6	43%	0.43	45%	0.454	S	S	.	.	H	α-helix	trans	-61.1	-45.4	176.1	172.2	0	0	0	0	111.2	L233 L234 T240 L241	L233-V237 VanDerWaalsContact O-CG2 3.25Å; L233-V237 WeakPolarHBondContact O-CG2 3.24Å; L233-V237 PolarHBondContact O-N 2.92Å; L234-V237 PolarHBondContact O-N 2.81Å; V237-T240 WeakPolarHBondContact CA-OG1 3.47Å; V237-T240 PolarHBondContact O-N 3.16Å; V237-T240 PolarHBondContact O-OG1 2.95Å; V237-L241 HydrophobicContact CG1-CD1 4.05Å; V237-L241 WeakPolarHBondContact O-CG 3.44Å; V237-L241 PolarHBondContact O-N 3.15Å; V237-L241 VanDerWaalsContact O-N 3.13Å
238	L	49.8	Very low	53.5	Low	119 Å²	119	85.4 Å²	85.4	62%	0.623	45%	0.448	S	S	*	.	H	α-helix	trans	-69.1	-29.1	177.4	-92.9	144.6	0	0	0	114.1	L234 T240	L234-L238 WeakPolarHBondContact O-CB 3.46Å; L234-L238 PolarHBondContact O-N 3.32Å; L238-T240 VanDerWaalsContact C-N 3.32Å
239	L	52.8	Low	53.8	Low	145 Å²	145	83.9 Å²	83.9	76%	0.759	44%	0.441	S	S	*	.	H	α-helix	trans	-80	-15.2	172.9	-75.1	164	0	0	0	112.8	S235 Q236	S235-L239 VanDerWaalsContact O-CB 3.29Å; S235-L239 WeakPolarHBondContact O-CB 3.46Å; S235-L239 WeakPolarHBondContact O-CD1 3.43Å; S235-L239 VanDerWaalsContact O-CG 3.23Å; S235-L239 WeakPolarHBondContact O-CG 3.43Å; S235-L239 PolarHBondContact O-N 2.75Å; Q236-L239 PolarHBondContact O-N 3.42Å
240	T	58	Low	53.9	Low	116 Å²	116	87.6 Å²	87.6	71%	0.712	46%	0.455	S	S	*	.	H	α-helix	trans	-96.8	-6.7	174.4	52.8	0	0	0	0	114	Q236 V237 L238	Q236-T240 WeakPolarHBondContact O-CB 3.38Å; Q236-T240 WeakPolarHBondContact O-CG2 3.4Å; Q236-T240 PolarHBondContact O-N 3.01Å; Q236-T240 PolarHBondContact O-OG1 3.31Å; V237-T240 WeakPolarHBondContact CA-OG1 3.47Å; V237-T240 PolarHBondContact O-N 3.16Å; V237-T240 PolarHBondContact O-OG1 2.95Å; L238-T240 VanDerWaalsContact C-N 3.32Å
241	L	53.6	Low	54.1	Low	188 Å²	188	82.5 Å²	82.5	98%	0.984	45%	0.447	S	S	*	.			trans	-97.5	0	171.6	-70	171.5	0	0	0	110.2	V237	V237-L241 HydrophobicContact CG1-CD1 4.05Å; V237-L241 WeakPolarHBondContact O-CG 3.44Å; V237-L241 PolarHBondContact O-N 3.15Å; V237-L241 VanDerWaalsContact O-N 3.13Å

Retrieved 241 of 241 residues in 123.5 ms (Link to these results)

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